#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gtl n GLU 21 N 0.00 0.00 0.06 -0.67 0.28 -1.26 -3.57 120.64 115.48 3gtl n GLU 21 Ca 0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.80 3gtl n GLU 21 Cb 0.00 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 32.77 3gtl n GLU 21 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 177.13 177.74 3gtl h SER 22 N 0.00 0.83 -3.56 -1.84 0.02 -1.97 -2.46 113.55 104.57 3gtl h SER 22 Ca 0.00 -0.70 -0.55 0.00 -0.84 0.00 0.00 61.79 59.71 3gtl h SER 22 Cb 0.00 -0.26 0.19 0.00 0.14 0.00 0.00 62.40 62.48 3gtl h SER 22 CO 0.00 1.50 -0.21 0.00 -1.14 0.00 0.00 176.83 176.98 3gtl n ALA 23 N -2.64 -1.29 -2.38 3.77 0.00 -1.23 -4.57 120.51 112.17 3gtl n ALA 23 Ca -0.11 -0.35 -0.29 0.00 0.00 0.00 0.00 53.44 52.69 3gtl n ALA 23 Cb 0.91 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 3gtl n ALA 23 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3gtl s PRO 24 N -3.36 3.68 0.23 0.00 0.04 -1.26 0.12 135.00 134.45 3gtl s PRO 24 Ca 0.66 0.19 -0.32 0.00 0.04 0.00 0.00 61.00 61.57 3gtl s PRO 24 Cb -0.30 -2.54 -0.12 0.00 0.04 0.00 0.00 34.50 31.58 3gtl s PRO 24 CO 0.58 0.10 1.63 -0.89 0.04 0.00 0.00 177.00 178.46 3gtl n ILE 25 N -1.13 0.38 -3.91 0.56 5.41 -1.26 -4.53 119.36 114.88 3gtl n ILE 25 Ca -0.00 -0.09 -0.35 0.00 1.00 0.00 0.00 62.75 63.31 3gtl n ILE 25 Cb 0.54 -1.84 -0.05 0.00 -0.71 0.00 0.00 39.64 37.58 3gtl n ILE 25 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3gtl s THR 26 N 0.67 5.43 0.33 1.39 -4.23 -1.26 -4.57 115.64 113.40 3gtl s THR 26 Ca 0.72 -0.04 0.11 0.00 -1.18 0.00 0.00 61.69 61.30 3gtl s THR 26 Cb -0.55 -3.47 0.36 0.00 1.34 0.00 0.00 72.50 70.18 3gtl s THR 26 CO 0.40 0.43 1.60 0.00 -0.54 0.00 0.00 174.62 176.50 3gtl h ALA 27 N 4.23 1.70 -0.85 3.99 0.00 -1.96 0.14 119.26 126.52 3gtl h ALA 27 Ca -0.51 0.27 0.17 0.00 0.00 0.00 0.00 54.91 54.84 3gtl h ALA 27 Cb 1.20 0.38 -0.16 0.00 0.00 0.00 0.00 17.79 19.21 3gtl h ALA 27 CO 0.65 -0.71 -0.22 1.49 0.00 0.00 0.00 179.25 180.46 3gtl h GLU 28 N 0.08 -0.00 -0.73 0.00 4.22 -2.00 0.99 114.58 117.14 3gtl h GLU 28 Ca 0.71 0.00 0.20 0.00 0.08 0.00 0.00 59.36 60.36 3gtl h GLU 28 Cb 1.69 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.91 3gtl h GLU 28 CO -0.78 -0.00 0.52 -0.44 -2.18 0.00 0.00 179.01 176.13 3gtl h ASP 29 N -0.00 0.05 0.00 1.04 5.19 -1.13 -0.75 116.42 120.81 3gtl h ASP 29 Ca 0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.82 3gtl h ASP 29 Cb 0.62 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.13 3gtl h ASP 29 CO -0.88 0.02 0.00 0.77 -3.12 0.00 0.00 179.24 176.04 3gtl h SER 30 N 0.05 0.00 1.39 6.45 4.64 0.89 0.27 113.55 127.24 3gtl h SER 30 Ca 0.35 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.59 3gtl h SER 30 Cb 1.32 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3gtl h SER 30 CO -0.02 0.00 -0.38 -0.50 -0.87 0.00 0.00 176.83 175.06 3gtl h TRP 31 N 0.00 0.00 0.70 4.77 4.06 -1.26 -2.31 115.95 121.91 3gtl h TRP 31 Ca 0.00 0.00 -0.03 0.00 2.06 0.00 0.00 58.89 60.92 3gtl h TRP 31 Cb 0.01 0.00 0.01 0.00 -1.00 0.00 0.00 29.16 28.18 3gtl h TRP 31 CO 0.00 0.38 -0.34 0.00 -3.56 0.00 0.00 178.44 174.92 3gtl h ALA 32 N 1.62 -0.94 -0.66 1.49 0.00 -0.64 -1.54 119.26 118.60 3gtl h ALA 32 Ca -0.00 -0.21 0.14 0.00 0.00 0.00 0.00 54.91 54.84 3gtl h ALA 32 Cb 1.17 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 19.22 3gtl h ALA 32 CO 0.05 -1.01 0.03 0.28 0.00 0.00 0.00 179.25 178.59 3gtl h VAL 33 N -0.97 0.47 -0.56 0.00 2.07 -1.55 0.33 116.25 116.03 3gtl h VAL 33 Ca -0.10 -0.05 0.08 0.00 0.82 0.00 0.00 66.70 67.46 3gtl h VAL 33 Cb 0.73 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.75 3gtl h VAL 33 CO 0.16 0.02 0.22 0.40 0.02 0.00 0.00 177.57 178.39 3gtl h ILE 34 N 0.14 0.82 -0.73 4.57 1.08 -1.41 -1.89 117.51 120.08 3gtl h ILE 34 Ca 0.35 -0.14 0.04 0.00 -0.39 0.00 0.00 64.86 64.72 3gtl h ILE 34 Cb 0.58 0.38 -0.05 0.00 -3.07 0.00 0.00 36.82 34.66 3gtl h ILE 34 CO -0.55 0.07 0.44 0.28 -0.69 0.00 0.00 178.15 177.71 3gtl h SER 35 N 0.41 0.71 -0.04 1.72 0.02 0.62 -2.86 113.55 114.13 3gtl h SER 35 Ca 0.27 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.26 3gtl h SER 35 Cb 0.30 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.65 3gtl h SER 35 CO -0.26 0.48 -0.19 0.00 -1.14 0.00 0.00 176.83 175.71 3gtl h ALA 36 N 1.33 -0.21 -2.92 3.77 0.00 -0.22 -3.28 119.26 117.73 3gtl h ALA 36 Ca 0.30 0.02 -0.55 0.00 0.00 0.00 0.00 54.91 54.68 3gtl h ALA 36 Cb 0.08 0.35 0.16 0.00 0.00 0.00 0.00 17.79 18.38 3gtl h ALA 36 CO -0.13 -0.68 0.46 0.12 0.00 0.00 0.00 179.25 179.01 3gtl s PHE 37 N -6.11 2.00 0.00 0.00 5.36 -0.86 -3.07 117.98 115.30 3gtl s PHE 37 Ca -0.15 1.55 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 3gtl s PHE 37 Cb 0.09 -3.61 0.00 0.00 -0.34 0.00 0.00 43.02 39.16 3gtl s PHE 37 CO 0.67 -2.87 0.00 1.19 -1.46 0.00 0.00 175.22 172.75 3gtl n PHE 38 N -2.36 0.00 -0.39 10.12 0.99 -1.26 -4.57 117.46 119.99 3gtl n PHE 38 Ca 0.15 0.00 0.31 0.00 -0.00 0.00 0.00 57.45 57.91 3gtl n PHE 38 Cb 0.49 0.00 0.58 0.00 -1.00 0.00 0.00 39.48 39.55 3gtl n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3gtl h ARG 39 N 0.00 0.19 0.00 -1.08 3.08 -1.61 0.75 114.38 115.71 3gtl h ARG 39 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3gtl h ARG 39 Cb 0.00 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.01 3gtl h ARG 39 CO 0.00 0.13 -0.01 0.93 -1.07 0.00 0.00 179.97 179.95 3gtl h GLU 40 N 0.20 0.00 -0.10 0.04 5.08 -1.78 -3.42 114.58 114.59 3gtl h GLU 40 Ca 0.75 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.11 3gtl h GLU 40 Cb 2.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.40 3gtl h GLU 40 CO -0.43 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.21 3gtl n LYS 41 N -2.90 1.91 0.00 2.33 5.02 -1.10 -5.04 118.16 118.38 3gtl n LYS 41 Ca -0.00 -1.35 0.00 0.00 -2.02 0.00 0.00 58.31 54.94 3gtl n LYS 41 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 3gtl n LYS 41 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gtl n GLY 42 N 1.24 2.38 0.00 0.72 0.00 0.26 -3.40 105.19 106.39 3gtl n GLY 42 Ca 0.17 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.70 3gtl n GLY 42 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtl n LEU 43 N 0.00 0.21 -0.29 0.99 4.77 -1.26 -4.51 117.00 116.91 3gtl n LEU 43 Ca 0.00 -0.21 0.04 0.00 -0.03 0.00 0.00 56.01 55.81 3gtl n LEU 43 Cb 0.00 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.15 3gtl n LEU 43 CO 0.00 0.05 0.39 1.33 -1.33 0.00 0.00 177.39 177.83 3gtl n VAL 44 N -0.01 0.80 -0.12 4.08 0.24 -1.26 -4.92 118.33 117.14 3gtl n VAL 44 Ca 0.00 -0.96 -0.03 0.00 -2.04 0.00 0.00 64.34 61.31 3gtl n VAL 44 Cb 0.19 0.22 -0.03 0.00 -1.47 0.00 0.00 33.84 32.75 3gtl n VAL 44 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3gtl n SER 45 N -0.60 -0.31 -0.10 -1.34 3.41 -1.22 -1.23 113.62 112.23 3gtl n SER 45 Ca 0.07 1.14 -0.02 0.00 -0.26 0.00 0.00 58.87 59.79 3gtl n SER 45 Cb 0.65 -0.38 -0.01 0.00 -0.26 0.00 0.00 64.21 64.22 3gtl n SER 45 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtl n GLN 46 N -3.62 -0.09 0.22 4.33 10.64 -1.26 0.18 117.38 127.77 3gtl n GLN 46 Ca 0.01 0.38 -0.15 0.00 -1.83 0.00 0.00 57.00 55.41 3gtl n GLN 46 Cb 0.08 -0.57 -0.08 0.00 -0.86 0.00 0.00 30.24 28.81 3gtl n GLN 46 CO 0.00 0.00 0.00 1.96 -1.83 0.00 0.00 177.06 177.19 3gtl h GLN 47 N 0.00 -0.71 0.20 2.61 1.08 -1.53 -1.30 115.11 115.45 3gtl h GLN 47 Ca 0.06 0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.32 3gtl h GLN 47 Cb 0.12 0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 27.68 3gtl h GLN 47 CO -0.24 -0.47 -0.38 -0.07 -0.95 0.00 0.00 178.83 176.72 3gtl h LEU 48 N -0.73 -1.08 -1.95 1.46 3.38 0.20 0.12 115.31 116.70 3gtl h LEU 48 Ca -0.02 0.11 0.20 0.00 0.09 0.00 0.00 57.88 58.27 3gtl h LEU 48 Cb 0.66 0.40 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 3gtl h LEU 48 CO -0.07 -0.48 0.58 0.44 0.09 0.00 0.00 178.44 179.00 3gtl h ASP 49 N -0.66 0.00 0.09 -0.43 3.45 0.75 0.04 116.42 119.65 3gtl h ASP 49 Ca 0.01 0.00 -0.26 0.00 0.43 0.00 0.00 57.03 57.21 3gtl h ASP 49 Cb 0.66 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.42 3gtl h ASP 49 CO -0.17 0.00 -1.36 -1.28 -1.57 0.00 0.00 179.24 174.86 3gtl h SER 50 N 0.00 0.30 0.08 6.45 0.87 -0.08 -3.17 113.55 118.00 3gtl h SER 50 Ca 0.33 -0.81 -0.11 0.00 -1.23 0.00 0.00 61.79 59.97 3gtl h SER 50 Cb 1.49 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 63.34 3gtl h SER 50 CO -0.00 1.58 -0.36 0.15 -0.53 0.00 0.00 176.83 177.67 3gtl h PHE 51 N -0.43 0.44 -0.05 2.24 3.57 -0.14 -2.10 116.94 120.48 3gtl h PHE 51 Ca -0.30 -0.11 0.01 0.00 3.53 0.00 0.00 57.97 61.09 3gtl h PHE 51 Cb 1.66 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 40.29 3gtl h PHE 51 CO 0.13 0.70 -0.03 -0.91 -2.23 0.00 0.00 178.31 175.97 3gtl h ASN 52 N 0.33 -0.09 0.41 0.41 2.35 -1.16 -0.21 115.58 117.63 3gtl h ASN 52 Ca 0.04 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3gtl h ASN 52 Cb 0.79 0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.21 3gtl h ASN 52 CO 0.06 -0.04 0.00 1.67 -1.65 0.00 0.00 177.43 177.47 3gtl n GLN 53 N -5.14 0.16 -0.08 0.81 -0.06 -1.15 -0.78 117.38 111.15 3gtl n GLN 53 Ca -0.06 0.50 -0.15 0.00 -2.00 0.00 0.00 57.00 55.30 3gtl n GLN 53 Cb 0.07 -1.87 -0.11 0.00 -4.06 0.00 0.00 30.24 24.27 3gtl n GLN 53 CO 0.00 0.00 0.00 0.35 -0.20 0.00 0.00 177.06 177.21 3gtl h PHE 54 N 0.00 0.00 0.06 3.69 3.57 -0.61 -3.20 116.94 120.45 3gtl h PHE 54 Ca 0.00 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gtl h PHE 54 Cb 0.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.95 3gtl h PHE 54 CO 0.00 1.01 -0.03 0.28 -2.23 0.00 0.00 178.31 177.34 3gtl h VAL 55 N -1.00 1.10 -0.21 1.41 2.07 -0.79 -1.86 116.25 116.98 3gtl h VAL 55 Ca -0.11 -0.56 -0.07 0.00 0.82 0.00 0.00 66.70 66.79 3gtl h VAL 55 Cb 0.97 1.47 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 3gtl h VAL 55 CO -0.07 0.14 -0.16 0.44 0.02 0.00 0.00 177.57 177.94 3gtl h ASP 56 N -0.33 0.33 0.00 0.57 5.19 -1.17 -3.39 116.42 117.62 3gtl h ASP 56 Ca -0.01 -0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.32 3gtl h ASP 56 Cb 0.29 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.71 3gtl h ASP 56 CO 0.01 0.52 0.00 -1.22 -3.12 0.00 0.00 179.24 175.43 3gtl n TYR 57 N -4.21 -0.10 -0.27 4.55 4.02 -1.24 -4.87 117.16 115.03 3gtl n TYR 57 Ca -0.00 0.02 0.21 0.00 -0.01 0.00 0.00 57.90 58.11 3gtl n TYR 57 Cb 0.32 0.13 0.52 0.00 -0.02 0.00 0.00 39.34 40.29 3gtl n TYR 57 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 3gtl h THR 58 N 0.00 0.62 -0.73 -0.72 2.02 -1.53 -2.12 112.91 110.44 3gtl h THR 58 Ca 0.00 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 67.07 3gtl h THR 58 Cb 0.00 0.20 -0.04 0.00 -1.74 0.00 0.00 68.15 66.57 3gtl h THR 58 CO 0.00 0.07 0.47 0.25 0.37 0.00 0.00 175.52 176.68 3gtl h LEU 59 N 0.39 0.78 -0.71 2.58 5.85 -1.53 -2.26 115.31 120.41 3gtl h LEU 59 Ca 0.51 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.23 3gtl h LEU 59 Cb 1.32 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 3gtl h LEU 59 CO -0.21 0.54 0.44 -0.61 -0.34 0.00 0.00 178.44 178.26 3gtl h GLN 60 N 0.92 0.95 -0.03 1.25 5.75 -1.65 -2.97 115.11 119.33 3gtl h GLN 60 Ca 0.29 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.70 3gtl h GLN 60 Cb -0.01 -0.20 -0.00 0.00 1.07 0.00 0.00 27.48 28.33 3gtl h GLN 60 CO -0.10 0.67 -0.01 -0.44 -2.65 0.00 0.00 178.83 176.30 3gtl h ASP 61 N 0.96 0.05 0.09 -0.69 5.19 -1.47 -2.85 116.42 117.70 3gtl h ASP 61 Ca 0.25 -0.37 -0.00 0.00 -0.62 0.00 0.00 57.03 56.29 3gtl h ASP 61 Cb -0.05 -0.01 -0.00 0.00 0.18 0.00 0.00 39.33 39.45 3gtl h ASP 61 CO -0.05 0.41 -0.02 0.40 -3.12 0.00 0.00 179.24 176.86 3gtl h ILE 62 N -0.31 0.39 0.00 0.35 1.08 -1.47 -0.98 117.51 116.58 3gtl h ILE 62 Ca 0.01 -0.10 -0.06 0.00 -0.39 0.00 0.00 64.86 64.32 3gtl h ILE 62 Cb 0.39 1.07 -0.01 0.00 -3.07 0.00 0.00 36.82 35.20 3gtl h ILE 62 CO 0.00 0.02 -0.50 -0.29 -0.69 0.00 0.00 178.15 176.70 3gtl h ILE 63 N 0.00 0.37 -2.94 -0.67 6.09 -1.34 -3.42 117.51 115.59 3gtl h ILE 63 Ca -0.00 -1.55 -0.61 0.00 -1.37 0.00 0.00 64.86 61.33 3gtl h ILE 63 Cb 0.07 2.08 -0.40 0.00 0.47 0.00 0.00 36.82 39.04 3gtl h ILE 63 CO 0.00 0.21 -0.75 0.00 -3.07 0.00 0.00 178.15 174.54 3gtl n GLU 65 N 3.66 0.00 0.08 0.00 0.00 -1.25 -4.85 120.64 118.28 3gtl n GLU 65 Ca 0.09 0.00 0.12 0.00 0.00 0.00 0.00 57.16 57.36 3gtl n GLU 65 Cb 0.35 0.00 0.06 0.00 0.00 0.00 0.00 31.44 31.85 3gtl n GLU 65 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.13 176.73 3gtl n ASP 66 N -3.18 0.76 0.00 -1.84 5.75 -1.26 -4.65 116.55 112.13 3gtl n ASP 66 Ca 0.00 0.18 0.00 0.00 -0.01 0.00 0.00 54.79 54.96 3gtl n ASP 66 Cb 0.00 0.41 0.00 0.00 -1.03 0.00 0.00 41.12 40.50 3gtl n ASP 66 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 3gtl n SER 67 N -2.39 0.00 -4.75 -1.12 2.88 -1.26 -4.66 113.62 102.31 3gtl n SER 67 Ca 0.01 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.19 3gtl n SER 67 Cb 0.50 0.00 0.03 0.00 -0.75 0.00 0.00 64.21 63.99 3gtl n SER 67 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 3gtl s THR 68 N 0.00 2.62 0.15 2.46 -1.32 -1.26 -4.75 115.64 113.54 3gtl s THR 68 Ca 0.00 0.39 0.01 0.00 -1.21 0.00 0.00 61.69 60.88 3gtl s THR 68 Cb 0.00 -3.16 -0.00 0.00 -1.51 0.00 0.00 72.50 67.82 3gtl s THR 68 CO 0.00 -0.07 0.03 0.18 -2.21 0.00 0.00 174.62 172.54 3gtl n LEU 69 N -1.50 0.00 -2.61 9.08 4.77 -1.26 -5.04 117.00 120.44 3gtl n LEU 69 Ca 0.13 -1.03 -0.28 0.00 -0.03 0.00 0.00 56.01 54.81 3gtl n LEU 69 Cb 0.49 0.23 -0.01 0.00 -2.33 0.00 0.00 43.42 41.81 3gtl n LEU 69 CO 0.45 -0.15 0.23 -0.38 -1.33 0.00 0.00 177.39 176.21 3gtl n ILE 70 N -0.35 2.60 -0.70 -0.08 2.08 -1.26 -4.95 119.36 116.69 3gtl n ILE 70 Ca -0.04 -5.08 0.00 0.00 0.56 0.00 0.00 62.75 58.19 3gtl n ILE 70 Cb 0.20 -1.30 0.00 0.00 -0.75 0.00 0.00 39.64 37.79 3gtl n ILE 70 CO 0.00 0.00 0.00 -0.38 0.56 0.00 0.00 176.55 176.73 3gtl n ILE 90 N -0.43 -1.18 -4.27 1.39 2.08 -1.12 -5.16 119.36 110.67 3gtl n ILE 90 Ca 0.38 0.00 -0.19 0.00 0.56 0.00 0.00 62.75 63.50 3gtl n ILE 90 Cb 0.58 -1.75 -0.13 0.00 -0.75 0.00 0.00 39.64 37.59 3gtl n ILE 90 CO 0.00 0.00 0.00 -0.94 0.56 0.00 0.00 176.55 176.17 3gtl s SER 91 N 0.00 1.60 -0.09 4.38 1.04 -1.15 -4.68 113.70 114.81 3gtl s SER 91 Ca 0.00 -0.51 -0.05 0.00 0.48 0.00 0.00 55.95 55.87 3gtl s SER 91 Cb 0.00 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 3gtl s SER 91 CO 0.00 -0.02 0.11 -0.36 0.98 0.00 0.00 173.24 173.96 3gtl s PHE 92 N -1.01 3.49 0.00 5.02 0.40 -1.26 -0.86 117.98 123.76 3gtl s PHE 92 Ca -0.00 0.42 0.00 0.00 -0.60 0.00 0.00 56.93 56.75 3gtl s PHE 92 Cb -0.09 -1.88 0.00 0.00 0.51 0.00 0.00 43.02 41.56 3gtl s PHE 92 CO 0.02 0.66 0.00 0.41 0.70 0.00 0.00 175.22 177.01 3gtl n GLY 93 N 1.83 2.09 3.76 4.36 0.00 -0.93 -4.80 105.19 111.49 3gtl n GLY 93 Ca -0.18 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.38 3gtl n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtl s LYS 94 N 2.83 3.35 -0.12 1.61 2.36 -1.26 -4.65 119.74 123.86 3gtl s LYS 94 Ca 0.00 2.09 0.02 0.00 -2.55 0.00 0.00 55.97 55.53 3gtl s LYS 94 Cb 0.00 -2.31 -0.00 0.00 -1.05 0.00 0.00 37.83 34.47 3gtl s LYS 94 CO 0.00 -0.98 -0.20 -1.50 1.55 0.00 0.00 175.35 174.22 3gtl s ILE 95 N -1.38 2.35 -0.09 5.43 2.07 -1.26 -1.17 121.20 127.15 3gtl s ILE 95 Ca 0.69 -0.90 -0.00 0.00 -1.41 0.00 0.00 60.65 59.02 3gtl s ILE 95 Cb -0.37 -1.94 -0.03 0.00 0.13 0.00 0.00 42.46 40.26 3gtl s ILE 95 CO 0.44 0.54 -0.05 -0.31 -1.91 0.00 0.00 174.94 173.65 3gtl s TYR 96 N 0.49 3.00 -0.16 3.50 4.12 0.87 -4.97 117.35 124.21 3gtl s TYR 96 Ca -0.13 0.01 0.02 0.00 0.02 0.00 0.00 57.07 56.98 3gtl s TYR 96 Cb -0.17 -1.77 0.01 0.00 -1.52 0.00 0.00 41.96 38.52 3gtl s TYR 96 CO 0.05 0.31 -0.21 0.08 0.02 0.00 0.00 175.55 175.80 3gtl s VAL 97 N -0.65 2.04 0.57 0.71 1.01 -1.26 -0.38 120.40 122.44 3gtl s VAL 97 Ca 0.10 -0.95 -0.08 0.00 0.00 0.00 0.00 61.98 61.05 3gtl s VAL 97 Cb -0.12 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 3gtl s VAL 97 CO 0.02 0.54 0.93 -0.89 0.00 0.00 0.00 175.10 175.70 3gtl s THR 98 N 1.05 4.54 -0.23 3.92 2.01 -1.08 -4.99 115.64 120.86 3gtl s THR 98 Ca -0.01 0.48 -0.28 0.00 0.31 0.00 0.00 61.69 62.19 3gtl s THR 98 Cb -0.14 -3.78 0.01 0.00 0.01 0.00 0.00 72.50 68.59 3gtl s THR 98 CO -0.07 -0.91 1.00 -0.54 -0.69 0.00 0.00 174.62 173.41 3gtl s LYS 99 N -5.01 4.25 0.00 4.92 -0.14 -1.26 -4.45 119.74 118.05 3gtl s LYS 99 Ca 0.52 1.28 0.00 0.00 -1.36 0.00 0.00 55.97 56.42 3gtl s LYS 99 Cb -0.11 -3.64 0.00 0.00 -1.68 0.00 0.00 37.83 32.41 3gtl s LYS 99 CO 0.49 -0.60 0.00 -2.30 -0.76 0.00 0.00 175.35 172.19 3gtl n PRO 100 N 6.21 0.00 -4.58 -1.68 -0.02 -1.26 -4.87 135.00 128.80 3gtl n PRO 100 Ca 0.11 0.00 -0.27 0.00 -2.02 0.00 0.00 63.50 61.32 3gtl n PRO 100 Cb 0.46 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.84 3gtl n PRO 100 CO 0.00 0.00 0.00 -1.64 1.98 0.00 0.00 175.50 175.84 3gtl s MET 101 N 0.00 1.89 -0.21 -0.52 -1.94 -0.95 -2.94 119.30 114.63 3gtl s MET 101 Ca 0.00 -2.09 -0.10 0.00 -1.71 0.00 0.00 55.69 51.80 3gtl s MET 101 Cb 0.00 -1.37 0.08 0.00 2.01 0.00 0.00 34.83 35.55 3gtl s MET 101 CO 0.00 -0.14 0.48 0.08 -0.01 0.00 0.00 175.02 175.44 3gtl s VAL 102 N -2.91 -0.27 -0.79 -6.03 1.01 -1.19 -4.63 120.40 105.58 3gtl s VAL 102 Ca 0.32 0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 3gtl s VAL 102 Cb 0.09 -0.73 0.21 0.00 0.00 0.00 0.00 36.38 35.94 3gtl s VAL 102 CO 0.16 0.04 0.72 0.21 0.00 0.00 0.00 175.10 176.22 3gtl s ASN 103 N 1.90 6.63 -0.53 3.32 2.47 -1.26 -2.24 114.94 125.22 3gtl s ASN 103 Ca -0.07 -2.60 -0.27 0.00 0.42 0.00 0.00 52.86 50.34 3gtl s ASN 103 Cb -0.09 -2.19 -0.02 0.00 -1.45 0.00 0.00 41.25 37.50 3gtl s ASN 103 CO -0.15 -0.59 1.78 -1.83 -3.72 0.00 0.00 177.10 172.59 3gtl s GLU 104 N 0.31 2.90 0.20 0.43 -1.05 -1.23 -4.91 118.70 115.36 3gtl s GLU 104 Ca 0.16 0.79 -0.32 0.00 -0.15 0.00 0.00 54.97 55.46 3gtl s GLU 104 Cb -0.13 -4.30 -0.15 0.00 -0.44 0.00 0.00 34.13 29.11 3gtl s GLU 104 CO -0.07 -2.40 1.15 -1.13 0.95 0.00 0.00 175.26 173.76 3gtl n SER 105 N 11.68 1.44 -3.08 0.83 3.41 -1.19 -0.95 113.62 125.77 3gtl n SER 105 Ca 0.20 1.15 -0.21 0.00 -0.26 0.00 0.00 58.87 59.75 3gtl n SER 105 Cb 0.50 -1.25 0.06 0.00 -0.26 0.00 0.00 64.21 63.27 3gtl n SER 105 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 3gtl n ASP 106 N 1.90 -5.79 -2.38 4.04 -0.08 -1.26 -4.79 116.55 108.19 3gtl n ASP 106 Ca 0.14 -0.42 -0.06 0.00 -1.51 0.00 0.00 54.79 52.94 3gtl n ASP 106 Cb 0.26 -4.45 0.02 0.00 2.34 0.00 0.00 41.12 39.29 3gtl n ASP 106 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtl n GLY 107 N -1.73 1.17 1.68 0.27 0.00 -0.12 -5.19 105.19 101.26 3gtl n GLY 107 Ca -0.02 -1.18 -0.13 0.00 0.00 0.00 0.00 46.02 44.69 3gtl n GLY 107 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtl n VAL 108 N -0.42 0.00 -4.21 1.61 0.31 -1.26 -4.67 118.33 109.70 3gtl n VAL 108 Ca -0.06 -0.35 -0.35 0.00 -0.01 0.00 0.00 64.34 63.57 3gtl n VAL 108 Cb 0.44 -1.51 -0.09 0.00 -0.91 0.00 0.00 33.84 31.76 3gtl n VAL 108 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 3gtl s THR 109 N -2.15 4.55 0.11 2.52 -1.32 -1.26 -3.49 115.64 114.60 3gtl s THR 109 Ca 0.33 -0.14 0.09 0.00 -1.21 0.00 0.00 61.69 60.76 3gtl s THR 109 Cb -0.02 -2.97 -0.04 0.00 -1.51 0.00 0.00 72.50 67.96 3gtl s THR 109 CO 0.24 0.55 -0.19 -2.28 -2.21 0.00 0.00 174.62 170.73 3gtl s HIS 110 N -0.41 2.50 -0.83 9.09 2.46 -0.95 -4.96 115.29 122.19 3gtl s HIS 110 Ca 0.08 -0.28 -0.20 0.00 0.47 0.00 0.00 55.06 55.14 3gtl s HIS 110 Cb -0.12 -1.35 0.11 0.00 -0.13 0.00 0.00 32.58 31.09 3gtl s HIS 110 CO 0.02 0.36 1.06 0.00 -2.47 0.00 0.00 174.74 173.70 3gtl s ALA 111 N -1.10 3.30 -0.49 1.58 0.00 -1.26 -3.18 121.76 120.60 3gtl s ALA 111 Ca 0.17 -2.47 -0.24 0.00 0.00 0.00 0.00 51.96 49.41 3gtl s ALA 111 Cb -0.10 -3.97 0.03 0.00 0.00 0.00 0.00 23.12 19.08 3gtl s ALA 111 CO 0.09 -2.89 0.89 -1.17 0.00 0.00 0.00 175.76 172.68 3gtl s LEU 112 N 3.08 4.12 0.42 0.00 2.96 -1.15 -5.05 118.68 123.06 3gtl s LEU 112 Ca 0.28 -0.12 -0.05 0.00 -0.22 0.00 0.00 54.13 54.02 3gtl s LEU 112 Cb -0.09 -3.00 -0.04 0.00 0.50 0.00 0.00 46.19 43.56 3gtl s LEU 112 CO -0.03 -1.08 0.72 -0.31 -1.32 0.00 0.00 176.35 174.33 3gtl s TYR 113 N 3.70 3.53 0.18 5.38 1.51 -1.26 -4.78 117.35 125.60 3gtl s TYR 113 Ca 0.33 0.77 -0.23 0.00 -1.01 0.00 0.00 57.07 56.92 3gtl s TYR 113 Cb -0.12 -2.24 0.08 0.00 -0.11 0.00 0.00 41.96 39.57 3gtl s TYR 113 CO 0.23 -0.13 1.58 -1.00 -1.11 0.00 0.00 175.55 175.11 3gtl h PRO 114 N 0.66 -0.19 -0.96 -1.71 0.13 -1.97 -2.77 132.00 125.20 3gtl h PRO 114 Ca -0.47 0.01 0.21 0.00 -0.87 0.00 0.00 66.00 64.88 3gtl h PRO 114 Cb 1.20 0.04 -0.18 0.00 0.13 0.00 0.00 31.00 32.19 3gtl h PRO 114 CO 0.63 -0.13 -0.17 0.37 -0.23 0.00 0.00 178.00 178.47 3gtl h GLN 115 N -0.20 0.01 -0.64 0.86 5.75 -1.93 0.15 115.11 119.11 3gtl h GLN 115 Ca 0.20 -0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.67 3gtl h GLN 115 Cb 0.56 -0.00 -0.03 0.00 1.07 0.00 0.00 27.48 29.08 3gtl h GLN 115 CO -0.69 0.00 0.28 1.49 -2.65 0.00 0.00 178.83 177.26 3gtl h GLU 116 N 0.01 0.94 0.12 1.69 4.81 -1.86 -3.16 114.58 117.13 3gtl h GLU 116 Ca 0.49 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.56 3gtl h GLU 116 Cb 0.82 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.04 3gtl h GLU 116 CO -0.96 0.77 -0.06 0.00 -0.73 0.00 0.00 179.01 178.03 3gtl h ALA 117 N 1.12 -0.16 0.00 2.92 0.00 -0.74 0.18 119.26 122.58 3gtl h ALA 117 Ca 0.21 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3gtl h ALA 117 Cb 0.17 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gtl h ALA 117 CO -0.02 -0.58 0.00 0.54 0.00 0.00 0.00 179.25 179.19 3gtl n ARG 118 N -5.15 0.43 0.02 0.00 1.74 -1.07 -0.50 116.66 112.13 3gtl n ARG 118 Ca -0.08 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 56.99 3gtl n ARG 118 Cb 0.10 -1.09 -0.00 0.00 -1.02 0.00 0.00 32.46 30.44 3gtl n ARG 118 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gtl n LEU 119 N -0.59 0.67 -1.97 0.55 4.77 -0.46 -4.60 117.00 115.38 3gtl n LEU 119 Ca 0.02 0.09 -0.21 0.00 -0.03 0.00 0.00 56.01 55.88 3gtl n LEU 119 Cb 0.01 -0.22 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 3gtl n LEU 119 CO 0.01 -0.37 1.20 -2.11 -1.33 0.00 0.00 177.39 174.80 3gtl n ARG 120 N -3.33 2.02 -4.21 3.23 1.85 0.52 -4.89 116.66 111.84 3gtl n ARG 120 Ca -0.02 -2.12 -0.33 0.00 -1.00 0.00 0.00 57.85 54.38 3gtl n ARG 120 Cb 0.27 -1.83 -0.06 0.00 -1.05 0.00 0.00 32.46 29.78 3gtl n ARG 120 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3gtl n ASN 121 N -0.28 -0.22 -4.99 2.89 5.03 -0.75 -4.82 115.26 112.12 3gtl n ASN 121 Ca 0.41 -1.24 -0.19 0.00 0.87 0.00 0.00 54.58 54.44 3gtl n ASN 121 Cb 0.85 -1.85 0.02 0.00 -1.02 0.00 0.00 39.78 37.78 3gtl n ASN 121 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 3gtl s LEU 122 N -7.32 3.49 -0.32 3.41 1.43 0.35 -3.71 118.68 116.01 3gtl s LEU 122 Ca 0.09 -0.30 -0.07 0.00 -1.03 0.00 0.00 54.13 52.82 3gtl s LEU 122 Cb -0.05 -2.67 0.02 0.00 0.03 0.00 0.00 46.19 43.52 3gtl s LEU 122 CO 0.98 -0.93 0.10 -0.89 0.23 0.00 0.00 176.35 175.83 3gtl s THR 123 N -2.52 3.97 -1.03 5.49 2.01 -1.26 -1.34 115.64 120.97 3gtl s THR 123 Ca 0.56 -0.85 -0.23 0.00 0.31 0.00 0.00 61.69 61.49 3gtl s THR 123 Cb -0.10 -3.13 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 3gtl s THR 123 CO 0.35 -0.03 1.73 -0.47 -0.69 0.00 0.00 174.62 175.51 3gtl s TYR 124 N 1.47 2.22 0.02 4.92 5.04 -0.82 -4.91 117.35 125.28 3gtl s TYR 124 Ca 0.01 -0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.45 3gtl s TYR 124 Cb -0.18 -4.37 -0.01 0.00 0.35 0.00 0.00 41.96 37.74 3gtl s TYR 124 CO 0.03 -1.76 -0.07 -1.54 -1.34 0.00 0.00 175.55 170.87 3gtl s SER 125 N 6.23 0.84 1.03 4.32 1.04 -1.26 -1.84 113.70 124.07 3gtl s SER 125 Ca 0.59 -0.29 -0.17 0.00 0.48 0.00 0.00 55.95 56.56 3gtl s SER 125 Cb -0.02 -0.04 0.23 0.00 0.10 0.00 0.00 66.02 66.29 3gtl s SER 125 CO -0.02 -0.03 1.28 -0.44 0.98 0.00 0.00 173.24 175.02 3gtl s SER 126 N -0.72 2.46 -0.15 7.02 0.01 -0.14 -2.24 113.70 119.94 3gtl s SER 126 Ca -0.02 0.32 -0.02 0.00 1.31 0.00 0.00 55.95 57.54 3gtl s SER 126 Cb -0.05 -0.39 -0.02 0.00 0.21 0.00 0.00 66.02 65.77 3gtl s SER 126 CO 0.00 -3.14 -0.08 -0.83 0.41 0.00 0.00 173.24 169.60 3gtl s GLY 127 N -4.66 1.63 0.12 3.44 0.00 -1.26 -2.76 107.32 103.82 3gtl s GLY 127 Ca 0.74 -0.88 -0.28 0.00 0.00 0.00 0.00 44.72 44.29 3gtl s GLY 127 CO 0.54 -0.08 0.88 1.08 0.00 0.00 0.00 173.10 175.53 3gtl s LEU 128 N 0.46 4.52 -0.01 0.66 2.01 -1.13 -2.64 118.68 122.55 3gtl s LEU 128 Ca -0.06 1.71 0.00 0.00 0.01 0.00 0.00 54.13 55.79 3gtl s LEU 128 Cb -0.15 -3.46 0.02 0.00 0.01 0.00 0.00 46.19 42.60 3gtl s LEU 128 CO 0.04 0.02 -0.00 -0.36 1.01 0.00 0.00 176.35 177.06 3gtl s PHE 129 N -0.34 0.18 0.41 0.29 0.40 0.48 -1.53 117.98 117.88 3gtl s PHE 129 Ca 0.42 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.81 3gtl s PHE 129 Cb -0.23 -0.24 -0.04 0.00 0.51 0.00 0.00 43.02 43.02 3gtl s PHE 129 CO 0.28 -0.06 0.05 0.14 0.70 0.00 0.00 175.22 176.33 3gtl s VAL 130 N 0.57 1.18 -0.69 -0.44 -7.23 -0.88 0.30 120.40 113.20 3gtl s VAL 130 Ca -0.05 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.08 3gtl s VAL 130 Cb -0.08 -2.56 0.18 0.00 0.56 0.00 0.00 36.38 34.48 3gtl s VAL 130 CO -0.01 0.00 0.52 -1.81 -0.31 0.00 0.00 175.10 173.49 3gtl s ASP 131 N -3.66 5.45 -0.06 4.85 -0.00 -0.32 -3.11 116.67 119.83 3gtl s ASP 131 Ca 0.25 -3.02 -0.30 0.00 -0.00 0.00 0.00 52.55 49.48 3gtl s ASP 131 Cb 0.06 -1.88 -0.02 0.00 -0.00 0.00 0.00 42.92 41.07 3gtl s ASP 131 CO 0.13 -0.34 1.05 -0.69 -0.00 0.00 0.00 175.17 175.31 3gtl s VAL 132 N -0.31 4.67 0.18 -1.27 1.01 -1.26 -2.19 120.40 121.22 3gtl s VAL 132 Ca 0.19 1.93 0.06 0.00 0.00 0.00 0.00 61.98 64.16 3gtl s VAL 132 Cb -0.17 -4.24 -0.04 0.00 0.00 0.00 0.00 36.38 31.93 3gtl s VAL 132 CO -0.05 0.04 0.12 -0.54 0.00 0.00 0.00 175.10 174.67 3gtl s LYS 133 N 1.77 2.81 0.00 2.72 1.02 -0.03 -4.94 119.74 123.10 3gtl s LYS 133 Ca 0.51 -0.93 0.00 0.00 0.02 0.00 0.00 55.97 55.57 3gtl s LYS 133 Cb -0.21 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.52 3gtl s LYS 133 CO 0.21 0.47 0.18 1.63 -0.92 0.00 0.00 175.35 176.93 3gtl n LYS 134 N -0.40 0.17 0.00 1.68 4.76 -1.26 -2.80 118.16 120.31 3gtl n LYS 134 Ca -0.08 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.36 3gtl n LYS 134 Cb 0.55 -1.41 0.00 0.00 -1.84 0.00 0.00 35.03 32.33 3gtl n LYS 134 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 3gtl n LYS 164 N 0.99 0.00 -4.03 1.97 4.81 -1.20 -4.41 118.16 116.30 3gtl n LYS 164 Ca 0.00 0.00 -0.25 0.00 -0.87 0.00 0.00 58.31 57.19 3gtl n LYS 164 Cb 0.09 -0.31 -0.17 0.00 0.02 0.00 0.00 35.03 34.66 3gtl n LYS 164 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 3gtl s VAL 165 N -1.41 0.89 -0.40 3.15 1.01 -1.18 -5.02 120.40 117.44 3gtl s VAL 165 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 3gtl s VAL 165 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 36.38 35.48 3gtl s VAL 165 CO 0.00 0.33 0.78 0.12 0.00 0.00 0.00 175.10 176.33 3gtl s PHE 166 N 1.48 3.06 -0.37 5.22 5.36 -1.26 -2.08 117.98 129.40 3gtl s PHE 166 Ca -0.00 0.37 -0.03 0.00 -0.96 0.00 0.00 56.93 56.31 3gtl s PHE 166 Cb -0.13 -3.50 0.08 0.00 -0.34 0.00 0.00 43.02 39.12 3gtl s PHE 166 CO -0.05 -0.84 0.13 0.42 -1.46 0.00 0.00 175.22 173.42 3gtl s ILE 167 N 3.17 3.26 0.02 3.12 -1.09 -0.58 -4.74 121.20 124.36 3gtl s ILE 167 Ca 0.30 -1.72 0.00 0.00 -2.23 0.00 0.00 60.65 57.00 3gtl s ILE 167 Cb -0.13 -3.07 0.00 0.00 -1.58 0.00 0.00 42.46 37.68 3gtl s ILE 167 CO 0.19 -0.44 0.00 0.61 -1.23 0.00 0.00 174.94 174.08 3gtl n GLY 168 N 4.63 -0.80 2.97 6.18 0.00 -1.24 -3.87 105.19 113.05 3gtl n GLY 168 Ca -0.07 -0.81 -0.21 0.00 0.00 0.00 0.00 46.02 44.93 3gtl n GLY 168 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtl s ARG 169 N -0.16 1.06 -0.36 1.61 0.52 -1.26 -2.84 118.95 117.52 3gtl s ARG 169 Ca 0.00 -0.25 -0.10 0.00 -0.52 0.00 0.00 55.73 54.85 3gtl s ARG 169 Cb 0.00 -0.97 0.02 0.00 0.52 0.00 0.00 34.95 34.52 3gtl s ARG 169 CO 0.00 0.03 0.18 -1.17 0.02 0.00 0.00 175.30 174.36 3gtl s LEU 170 N 0.54 4.54 0.31 2.53 2.96 -1.11 -4.44 118.68 124.00 3gtl s LEU 170 Ca -0.09 -0.90 -0.28 0.00 -0.22 0.00 0.00 54.13 52.65 3gtl s LEU 170 Cb -0.12 -2.00 -0.13 0.00 0.50 0.00 0.00 46.19 44.43 3gtl s LEU 170 CO 0.01 -0.34 1.06 -2.65 -1.32 0.00 0.00 176.35 173.12 3gtl n PRO 171 N 4.98 1.50 -4.18 0.98 -0.02 -1.26 -0.97 135.00 136.03 3gtl n PRO 171 Ca -0.12 0.53 -0.34 0.00 -2.02 0.00 0.00 63.50 61.54 3gtl n PRO 171 Cb 0.47 -1.95 -0.12 0.00 -0.02 0.00 0.00 33.50 31.88 3gtl n PRO 171 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gtl s ILE 172 N -1.08 4.19 0.00 4.25 -1.09 -0.76 -4.85 121.20 121.85 3gtl s ILE 172 Ca 0.58 -0.24 -0.30 0.00 -2.23 0.00 0.00 60.65 58.46 3gtl s ILE 172 Cb -0.66 -2.87 -0.08 0.00 -1.58 0.00 0.00 42.46 37.26 3gtl s ILE 172 CO 0.60 0.46 1.97 -0.32 -1.23 0.00 0.00 174.94 176.42 3gtl s MET 173 N 0.59 4.04 0.24 2.79 -2.45 -1.26 -4.50 119.30 118.75 3gtl s MET 173 Ca -0.00 2.52 -0.31 0.00 -1.25 0.00 0.00 55.69 56.64 3gtl s MET 173 Cb -0.14 -4.17 -0.12 0.00 1.25 0.00 0.00 34.83 31.65 3gtl s MET 173 CO 0.02 -1.06 1.58 -0.11 1.05 0.00 0.00 175.02 176.50 3gtl n LEU 174 N 7.92 3.79 -2.33 4.11 7.94 0.21 -1.93 117.00 136.72 3gtl n LEU 174 Ca 0.21 1.11 -0.17 0.00 -1.11 0.00 0.00 56.01 56.05 3gtl n LEU 174 Cb 0.42 -1.53 0.02 0.00 0.53 0.00 0.00 43.42 42.86 3gtl n LEU 174 CO 0.67 -0.05 -0.03 -1.14 -1.11 0.00 0.00 177.39 175.73 3gtl n ARG 175 N 2.77 -3.49 0.00 1.96 0.63 -1.26 -2.79 116.66 114.48 3gtl n ARG 175 Ca 0.12 0.73 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 3gtl n ARG 175 Cb 0.34 -5.17 0.00 0.00 0.45 0.00 0.00 32.46 28.08 3gtl n ARG 175 CO 0.00 0.00 0.00 -1.13 -2.51 0.00 0.00 177.63 173.99 3gtl n SER 176 N -1.52 0.00 0.00 6.15 3.41 -0.81 -4.54 113.62 116.31 3gtl n SER 176 Ca -0.10 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.51 3gtl n SER 176 Cb 0.60 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.55 3gtl n SER 176 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gtl n LYS 177 N 0.00 0.00 0.00 4.33 5.02 -1.26 -4.73 118.16 121.52 3gtl n LYS 177 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3gtl n LYS 177 Cb 0.00 -0.32 0.64 0.00 -0.02 0.00 0.00 35.03 35.33 3gtl n LYS 177 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3gtl n ASN 178 N -1.53 0.67 -4.84 4.39 4.13 -1.26 -4.79 115.26 112.02 3gtl n ASN 178 Ca 0.00 -0.90 -0.35 0.00 1.68 0.00 0.00 54.58 55.01 3gtl n ASN 178 Cb 0.00 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.16 3gtl n ASN 178 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gtl h TYR 180 N 3.16 0.12 -0.93 0.00 -1.99 -1.94 -2.79 116.97 112.60 3gtl h TYR 180 Ca -0.48 -0.01 0.27 0.00 2.00 0.00 0.00 58.73 60.51 3gtl h TYR 180 Cb 1.19 -0.04 -0.04 0.00 2.00 0.00 0.00 36.73 39.84 3gtl h TYR 180 CO 0.64 0.22 0.82 -0.07 -0.00 0.00 0.00 178.16 179.77 3gtl h LEU 181 N -0.01 0.00 0.00 3.88 3.38 -1.95 -1.96 115.31 118.65 3gtl h LEU 181 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gtl h LEU 181 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3gtl h LEU 181 CO -0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 3gtl n SER 182 N -3.81 0.00 0.00 -0.43 3.41 -1.05 -2.39 113.62 109.35 3gtl n SER 182 Ca 0.20 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 3gtl n SER 182 Cb 1.13 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.08 3gtl n SER 182 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gtl n GLU 183 N -0.74 0.35 -3.57 4.33 4.71 -0.74 -4.90 120.64 120.08 3gtl n GLU 183 Ca 0.04 -0.56 -0.31 0.00 -0.01 0.00 0.00 57.16 56.31 3gtl n GLU 183 Cb 0.02 -0.57 -0.05 0.00 -1.01 0.00 0.00 31.44 29.83 3gtl n GLU 183 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gtl s ALA 184 N -0.12 3.71 0.75 0.62 0.00 -1.00 -5.10 121.76 120.60 3gtl s ALA 184 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 51.96 51.38 3gtl s ALA 184 Cb 0.00 -2.24 0.04 0.00 0.00 0.00 0.00 23.12 20.92 3gtl s ALA 184 CO 0.00 0.59 1.11 0.95 0.00 0.00 0.00 175.76 178.41 3gtl s THR 185 N -1.74 3.15 0.05 0.00 -4.23 -1.26 -4.98 115.64 106.64 3gtl s THR 185 Ca 0.43 0.37 -0.31 0.00 -1.18 0.00 0.00 61.69 61.01 3gtl s THR 185 Cb -0.12 -3.30 -0.17 0.00 1.34 0.00 0.00 72.50 70.26 3gtl s THR 185 CO 0.24 -0.49 1.47 -0.08 -0.54 0.00 0.00 174.62 175.22 3gtl h GLU 186 N -0.84 -1.01 0.00 3.99 4.81 -2.00 -2.55 114.58 116.98 3gtl h GLU 186 Ca -0.46 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 58.84 3gtl h GLU 186 Cb 1.27 0.23 0.00 0.00 0.63 0.00 0.00 28.75 30.88 3gtl h GLU 186 CO 0.63 -0.68 0.00 -1.13 -0.73 0.00 0.00 179.01 177.10 3gtl n SER 187 N -5.02 0.00 0.09 1.04 3.41 -1.26 0.31 113.62 112.19 3gtl n SER 187 Ca -0.13 0.36 -0.08 0.00 -0.26 0.00 0.00 58.87 58.76 3gtl n SER 187 Cb 0.43 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.97 3gtl n SER 187 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3gtl h ASP 188 N 0.00 0.19 -0.01 4.04 3.32 -1.84 -3.31 116.42 118.81 3gtl h ASP 188 Ca 0.00 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.85 3gtl h ASP 188 Cb 0.06 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3gtl h ASP 188 CO 0.00 0.99 -0.15 -0.07 -1.72 0.00 0.00 179.24 178.29 3gtl h LEU 189 N 0.07 0.15 -1.01 1.55 3.38 -0.04 -3.01 115.31 116.41 3gtl h LEU 189 Ca -0.04 -0.72 0.15 0.00 0.09 0.00 0.00 57.88 57.36 3gtl h LEU 189 Cb 1.54 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 42.15 3gtl h LEU 189 CO 0.13 0.85 0.63 1.88 0.09 0.00 0.00 178.44 182.02 3gtl h TYR 190 N -0.53 1.11 -0.68 1.13 -1.99 -1.69 0.33 116.97 114.65 3gtl h TYR 190 Ca -0.01 0.03 0.05 0.00 2.00 0.00 0.00 58.73 60.80 3gtl h TYR 190 Cb 0.86 -0.35 -0.05 0.00 2.00 0.00 0.00 36.73 39.19 3gtl h TYR 190 CO 0.17 0.37 0.39 0.87 -0.00 0.00 0.00 178.16 179.96 3gtl h LYS 191 N 0.90 0.71 0.00 4.88 1.57 -1.63 -0.98 116.57 122.02 3gtl h LYS 191 Ca 0.53 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.27 3gtl h LYS 191 Cb 0.65 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gtl h LYS 191 CO -0.31 0.47 0.00 1.28 -0.57 0.00 0.00 179.45 180.32 3gtl n LEU 192 N -4.76 0.00 -1.37 2.94 4.77 0.11 -4.88 117.00 113.81 3gtl n LEU 192 Ca 0.09 0.00 -0.15 0.00 -0.03 0.00 0.00 56.01 55.91 3gtl n LEU 192 Cb 0.16 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.20 3gtl n LEU 192 CO 0.30 0.00 -0.16 0.29 -1.33 0.00 0.00 177.39 176.48 3gtl n LYS 193 N -0.88 -1.12 -4.56 3.23 5.02 -0.37 -4.60 118.16 114.87 3gtl n LYS 193 Ca 0.15 0.95 -0.33 0.00 -2.02 0.00 0.00 58.31 57.06 3gtl n LYS 193 Cb 0.07 -5.17 -0.14 0.00 -0.02 0.00 0.00 35.03 29.77 3gtl n LYS 193 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtl s GLU 194 N -3.78 3.39 0.27 1.97 0.41 -1.08 -4.89 118.70 114.99 3gtl s GLU 194 Ca 0.00 -0.67 -0.30 0.00 -0.41 0.00 0.00 54.97 53.59 3gtl s GLU 194 Cb 0.00 -2.72 -0.13 0.00 -1.78 0.00 0.00 34.13 29.50 3gtl s GLU 194 CO 0.00 0.12 1.35 0.00 -0.49 0.00 0.00 175.26 176.25 3gtl n PRO 196 N 1.52 0.90 -0.05 0.00 -0.02 -1.26 -2.94 135.00 133.15 3gtl n PRO 196 Ca 0.09 0.00 -0.07 0.00 -2.02 0.00 0.00 63.50 61.50 3gtl n PRO 196 Cb 0.33 -1.05 -0.04 0.00 -0.02 0.00 0.00 33.50 32.72 3gtl n PRO 196 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gtl n PHE 197 N -0.44 0.00 -1.67 6.00 3.01 -1.26 -5.03 117.46 118.07 3gtl n PHE 197 Ca 0.00 0.00 -0.57 0.00 1.01 0.00 0.00 57.45 57.89 3gtl n PHE 197 Cb 0.02 -0.37 -0.07 0.00 -0.01 0.00 0.00 39.48 39.05 3gtl n PHE 197 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3gtl n ASP 198 N -2.84 1.91 -0.42 4.37 2.03 -1.15 -4.87 116.55 115.59 3gtl n ASP 198 Ca -0.17 1.10 0.12 0.00 0.52 0.00 0.00 54.79 56.36 3gtl n ASP 198 Cb 0.68 -1.12 0.18 0.00 -0.72 0.00 0.00 41.12 40.14 3gtl n ASP 198 CO 0.00 0.00 0.00 1.15 -1.92 0.00 0.00 177.20 176.43 3gtl n MET 199 N 4.18 1.15 0.00 -0.67 0.00 -1.26 -4.95 117.12 115.57 3gtl n MET 199 Ca 0.24 -0.85 0.00 0.00 0.00 0.00 0.00 57.70 57.09 3gtl n MET 199 Cb 0.13 -1.48 0.00 0.00 0.00 0.00 0.00 33.22 31.86 3gtl n MET 199 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3gtl n GLY 200 N 1.37 0.78 3.22 3.17 0.00 -1.26 -4.83 105.19 107.65 3gtl n GLY 200 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 46.02 45.31 3gtl n GLY 200 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtl n GLY 201 N 0.00 2.95 2.16 -0.02 0.00 -1.12 -4.95 105.19 104.22 3gtl n GLY 201 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3gtl n GLY 201 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3gtl n TYR 202 N -1.42 -2.89 -4.74 1.61 -0.00 -1.26 -4.68 117.16 103.78 3gtl n TYR 202 Ca 0.00 -1.07 -0.32 0.00 -0.00 0.00 0.00 57.90 56.50 3gtl n TYR 202 Cb 0.00 -0.36 -0.07 0.00 -0.00 0.00 0.00 39.34 38.91 3gtl n TYR 202 CO 0.00 0.00 0.00 -0.06 -0.00 0.00 0.00 176.86 176.80 3gtl s PHE 203 N -1.32 1.82 -0.17 -3.48 0.40 0.74 -0.62 117.98 115.35 3gtl s PHE 203 Ca 0.35 -1.02 -0.02 0.00 -0.60 0.00 0.00 56.93 55.65 3gtl s PHE 203 Cb -0.02 -1.54 0.05 0.00 0.51 0.00 0.00 43.02 42.01 3gtl s PHE 203 CO 0.23 0.15 -0.00 0.42 0.70 0.00 0.00 175.22 176.72 3gtl s ILE 204 N -2.93 0.72 -0.43 0.64 1.09 -1.26 -1.57 121.20 117.46 3gtl s ILE 204 Ca 0.06 -0.49 0.02 0.00 -1.10 0.00 0.00 60.65 59.14 3gtl s ILE 204 Cb 0.01 -1.06 0.14 0.00 -1.06 0.00 0.00 42.46 40.49 3gtl s ILE 204 CO 0.03 -0.02 0.23 -0.63 -0.10 0.00 0.00 174.94 174.45 3gtl s ILE 205 N 1.79 1.28 -0.40 2.92 -1.09 -0.98 -1.95 121.20 122.76 3gtl s ILE 205 Ca 0.00 -2.46 -0.00 0.00 -2.23 0.00 0.00 60.65 55.96 3gtl s ILE 205 Cb -0.16 -1.90 0.00 0.00 -1.58 0.00 0.00 42.46 38.82 3gtl s ILE 205 CO -0.07 -0.90 0.38 0.59 -1.23 0.00 0.00 174.94 173.71 3gtl n ASN 206 N 3.61 -5.21 -4.09 3.58 3.02 -1.06 -4.22 115.26 110.88 3gtl n ASN 206 Ca 0.09 -0.03 -0.36 0.00 -0.03 0.00 0.00 54.58 54.25 3gtl n ASN 206 Cb 0.35 -3.39 -0.07 0.00 -0.61 0.00 0.00 39.78 36.06 3gtl n ASN 206 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gtl n GLY 207 N -1.38 -0.36 3.20 7.41 0.00 -0.45 -4.80 105.19 108.80 3gtl n GLY 207 Ca 0.00 0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.98 3gtl n GLY 207 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gtl s SER 208 N -2.93 -0.19 0.52 1.61 1.04 -1.26 -4.81 113.70 107.68 3gtl s SER 208 Ca 0.70 0.85 -0.22 0.00 0.48 0.00 0.00 55.95 57.75 3gtl s SER 208 Cb -0.41 0.99 -0.06 0.00 0.10 0.00 0.00 66.02 66.64 3gtl s SER 208 CO 0.86 -0.22 1.35 -0.62 0.98 0.00 0.00 173.24 175.59 3gtl n GLU 209 N 5.00 1.77 -4.07 4.02 1.02 -1.26 -2.33 120.64 124.79 3gtl n GLU 209 Ca -0.13 0.64 -0.17 0.00 -0.02 0.00 0.00 57.16 57.48 3gtl n GLU 209 Cb 0.51 -2.55 -0.16 0.00 -0.02 0.00 0.00 31.44 29.23 3gtl n GLU 209 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gtl s LYS 210 N -2.75 0.48 -0.07 3.49 -0.14 -0.61 -3.45 119.74 116.69 3gtl s LYS 210 Ca 0.69 -0.06 -0.04 0.00 -1.36 0.00 0.00 55.97 55.20 3gtl s LYS 210 Cb -0.43 -0.54 -0.04 0.00 -1.68 0.00 0.00 37.83 35.14 3gtl s LYS 210 CO 0.51 -0.04 0.14 0.08 -0.76 0.00 0.00 175.35 175.28 3gtl s VAL 211 N 0.60 5.29 -0.09 3.17 1.01 -1.21 -0.18 120.40 128.99 3gtl s VAL 211 Ca -0.07 -0.03 -0.20 0.00 0.00 0.00 0.00 61.98 61.68 3gtl s VAL 211 Cb -0.10 -3.37 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 3gtl s VAL 211 CO -0.01 0.49 0.57 -0.76 0.00 0.00 0.00 175.10 175.39 3gtl s LEU 212 N -1.41 4.31 -0.17 3.92 1.43 -1.26 -3.03 118.68 122.47 3gtl s LEU 212 Ca 0.20 0.98 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 3gtl s LEU 212 Cb -0.12 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.20 3gtl s LEU 212 CO 0.10 -0.03 0.25 -0.63 0.23 0.00 0.00 176.35 176.27 3gtl s ILE 213 N 0.59 5.33 -0.24 -0.59 1.01 -1.26 -4.81 121.20 121.23 3gtl s ILE 213 Ca 0.31 0.45 -0.35 0.00 0.00 0.00 0.00 60.65 61.05 3gtl s ILE 213 Cb -0.16 -3.58 -0.12 0.00 0.01 0.00 0.00 42.46 38.61 3gtl s ILE 213 CO 0.14 0.42 2.02 0.00 0.00 0.00 0.00 174.94 177.51 3gtl n ALA 214 N 3.45 0.88 -2.00 9.38 0.00 -0.50 -4.70 120.51 127.02 3gtl n ALA 214 Ca -0.13 0.11 -0.33 0.00 0.00 0.00 0.00 53.44 53.08 3gtl n ALA 214 Cb 0.52 -2.52 -0.06 0.00 0.00 0.00 0.00 19.45 17.39 3gtl n ALA 214 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 3gtl s GLN 215 N 5.10 4.12 -0.08 0.00 -1.52 -1.06 0.12 119.66 126.34 3gtl s GLN 215 Ca 1.01 0.87 -0.00 0.00 -1.95 0.00 0.00 55.36 55.29 3gtl s GLN 215 Cb -0.78 -2.37 -0.03 0.00 -0.22 0.00 0.00 33.01 29.61 3gtl s GLN 215 CO 0.51 0.10 -0.05 -2.00 -0.25 0.00 0.00 175.29 173.60 3gtl s GLU 216 N -2.99 2.91 -0.06 2.91 2.12 -1.10 -0.14 118.70 122.35 3gtl s GLU 216 Ca 0.57 -0.52 -0.15 0.00 0.36 0.00 0.00 54.97 55.22 3gtl s GLU 216 Cb -0.10 -2.66 0.03 0.00 0.26 0.00 0.00 34.13 31.65 3gtl s GLU 216 CO 0.16 0.61 0.35 -0.98 -0.54 0.00 0.00 175.26 174.86 3gtl s ARG 217 N -0.66 0.60 0.21 4.30 1.70 -0.51 -4.50 118.95 120.10 3gtl s ARG 217 Ca 0.10 0.10 -0.31 0.00 -0.47 0.00 0.00 55.73 55.15 3gtl s ARG 217 Cb -0.12 0.27 -0.11 0.00 -0.57 0.00 0.00 34.95 34.43 3gtl s ARG 217 CO 0.02 -0.14 1.64 0.45 -1.08 0.00 0.00 175.30 176.19 3gtl s SER 218 N -0.74 6.46 0.58 -2.89 0.15 -1.26 -0.84 113.70 115.16 3gtl s SER 218 Ca -0.08 2.80 -0.19 0.00 0.70 0.00 0.00 55.95 59.17 3gtl s SER 218 Cb -0.04 -2.60 -0.06 0.00 -1.71 0.00 0.00 66.02 61.61 3gtl s SER 218 CO 0.03 -0.90 0.91 0.00 1.20 0.00 0.00 173.24 174.48 3gtl n ALA 219 N 3.59 0.01 -1.93 5.45 0.00 -0.85 -4.78 120.51 121.99 3gtl n ALA 219 Ca 0.13 0.02 -0.27 0.00 0.00 0.00 0.00 53.44 53.33 3gtl n ALA 219 Cb 0.37 -2.07 0.09 0.00 0.00 0.00 0.00 19.45 17.84 3gtl n ALA 219 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3gtl s GLY 220 N -1.19 1.69 -1.59 0.00 0.00 -1.26 -4.65 107.32 100.31 3gtl s GLY 220 Ca 0.74 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3gtl s GLY 220 CO 0.49 -0.51 0.00 0.70 0.00 0.00 0.00 173.10 173.78 3gtl n ASN 221 N -3.10 -5.02 -4.31 1.64 4.13 0.50 -4.94 115.26 104.15 3gtl n ASN 221 Ca 0.10 0.37 -0.26 0.00 1.68 0.00 0.00 54.58 56.47 3gtl n ASN 221 Cb 0.60 -4.17 -0.13 0.00 -1.54 0.00 0.00 39.78 34.55 3gtl n ASN 221 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3gtl s ILE 222 N -2.25 1.88 -0.07 2.41 -4.36 -1.26 -4.37 121.20 113.17 3gtl s ILE 222 Ca 0.00 -1.52 -0.30 0.00 -0.26 0.00 0.00 60.65 58.57 3gtl s ILE 222 Cb 0.00 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 42.01 3gtl s ILE 222 CO 0.00 0.07 1.09 0.54 0.24 0.00 0.00 174.94 176.88 3gtl s VAL 223 N -1.03 4.54 -0.04 8.37 0.11 -1.26 -4.45 120.40 126.64 3gtl s VAL 223 Ca 0.09 1.83 0.01 0.00 -2.93 0.00 0.00 61.98 60.98 3gtl s VAL 223 Cb -0.10 -4.18 0.02 0.00 -1.53 0.00 0.00 36.38 30.59 3gtl s VAL 223 CO 0.04 0.01 -0.05 -1.10 -3.33 0.00 0.00 175.10 170.67 3gtl s GLN 224 N 2.02 0.84 -0.23 1.54 -0.21 -0.91 -4.97 119.66 117.74 3gtl s GLN 224 Ca 0.52 -0.15 -0.15 0.00 0.02 0.00 0.00 55.36 55.59 3gtl s GLN 224 Cb -0.21 -0.82 -0.04 0.00 1.00 0.00 0.00 33.01 32.94 3gtl s GLN 224 CO 0.20 -0.03 0.39 0.08 -2.12 0.00 0.00 175.29 173.81 3gtl s VAL 225 N 0.69 5.19 -0.51 1.09 1.01 -1.26 -0.14 120.40 126.46 3gtl s VAL 225 Ca -0.09 0.64 0.03 0.00 0.00 0.00 0.00 61.98 62.56 3gtl s VAL 225 Cb -0.13 -3.71 0.14 0.00 0.00 0.00 0.00 36.38 32.68 3gtl s VAL 225 CO 0.00 0.21 0.29 -0.36 0.00 0.00 0.00 175.10 175.24 3gtl s PHE 226 N 1.64 2.65 -0.29 5.22 2.99 0.27 -2.73 117.98 127.73 3gtl s PHE 226 Ca 0.17 -2.85 -0.39 0.00 0.00 0.00 0.00 56.93 53.86 3gtl s PHE 226 Cb -0.15 -2.34 -0.14 0.00 0.00 0.00 0.00 43.02 40.39 3gtl s PHE 226 CO 0.08 -0.73 1.89 1.63 -0.00 0.00 0.00 175.22 178.09 3gtl n LYS 227 N 3.12 1.19 -2.44 0.44 5.02 -1.26 -2.94 118.16 121.28 3gtl n LYS 227 Ca 0.10 0.41 -0.24 0.00 -2.02 0.00 0.00 58.31 56.56 3gtl n LYS 227 Cb 0.34 -2.22 0.08 0.00 -0.02 0.00 0.00 35.03 33.21 3gtl n LYS 227 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gtl s LYS 228 N 4.41 2.06 1.15 1.97 1.02 0.11 -4.97 119.74 125.49 3gtl s LYS 228 Ca 1.02 -0.69 -0.18 0.00 0.02 0.00 0.00 55.97 56.14 3gtl s LYS 228 Cb -1.00 -2.30 0.26 0.00 -0.52 0.00 0.00 37.83 34.27 3gtl s LYS 228 CO 0.60 -1.20 1.13 0.00 -0.92 0.00 0.00 175.35 174.97 3gtl s ALA 229 N -3.10 0.86 -0.01 5.17 0.00 -1.26 -4.89 121.76 118.53 3gtl s ALA 229 Ca 0.62 -0.92 -0.22 0.00 0.00 0.00 0.00 51.96 51.44 3gtl s ALA 229 Cb -0.09 -2.89 -0.14 0.00 0.00 0.00 0.00 23.12 20.00 3gtl s ALA 229 CO 0.43 -3.36 0.98 0.00 0.00 0.00 0.00 175.76 173.82 3gtl h ALA 230 N -2.39 -0.53 0.00 0.00 0.00 -1.98 -3.29 119.26 111.07 3gtl h ALA 230 Ca -0.46 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3gtl h ALA 230 Cb 1.29 0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.28 3gtl h ALA 230 CO 0.37 -0.57 0.00 -0.35 0.00 0.00 0.00 179.25 178.71 3gtl n PRO 231 N -5.15 0.70 -3.36 0.00 -0.04 -1.26 -4.77 135.00 121.12 3gtl n PRO 231 Ca -0.09 0.00 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 3gtl n PRO 231 Cb 0.28 -1.42 -0.06 0.00 -0.04 0.00 0.00 33.50 32.26 3gtl n PRO 231 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3gtl s SER 232 N -1.88 6.85 0.08 3.54 1.04 -1.24 -5.03 113.70 117.05 3gtl s SER 232 Ca 0.28 1.08 -0.17 0.00 0.48 0.00 0.00 55.95 57.62 3gtl s SER 232 Cb 0.13 -2.29 -0.11 0.00 0.10 0.00 0.00 66.02 63.85 3gtl s SER 232 CO 0.22 0.14 1.40 1.55 0.98 0.00 0.00 173.24 177.52 3gtl h PRO 233 N 3.75 0.56 -6.85 4.02 0.13 -1.88 -3.44 132.00 128.28 3gtl h PRO 233 Ca -0.49 -0.29 -0.52 0.00 -0.87 0.00 0.00 66.00 63.83 3gtl h PRO 233 Cb 1.20 0.01 0.06 0.00 0.13 0.00 0.00 31.00 32.39 3gtl h PRO 233 CO 0.65 0.88 0.63 0.42 -0.23 0.00 0.00 178.00 180.35 3gtl s ILE 234 N -4.37 2.81 -0.16 -3.56 -1.09 -1.26 -3.04 121.20 110.53 3gtl s ILE 234 Ca -0.13 0.79 0.07 0.00 -2.23 0.00 0.00 60.65 59.15 3gtl s ILE 234 Cb 0.07 -3.51 -0.15 0.00 -1.58 0.00 0.00 42.46 37.30 3gtl s ILE 234 CO 0.80 0.18 -0.05 -1.54 -1.23 0.00 0.00 174.94 173.10 3gtl n SER 235 N 1.03 2.07 -4.00 3.58 3.41 -0.87 -4.57 113.62 114.26 3gtl n SER 235 Ca 0.01 -0.05 -0.14 0.00 -0.26 0.00 0.00 58.87 58.43 3gtl n SER 235 Cb 0.42 0.30 -0.13 0.00 -0.26 0.00 0.00 64.21 64.54 3gtl n SER 235 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 3gtl s HIS 236 N -2.35 0.54 0.05 7.33 3.76 -1.26 0.10 115.29 123.47 3gtl s HIS 236 Ca -0.15 -0.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.53 3gtl s HIS 236 Cb 0.05 -0.34 -0.02 0.00 1.11 0.00 0.00 32.58 33.38 3gtl s HIS 236 CO 0.49 -0.05 -0.15 0.14 -0.85 0.00 0.00 174.74 174.33 3gtl s VAL 237 N -0.72 1.17 -0.19 -0.90 -7.23 -1.15 -2.45 120.40 108.92 3gtl s VAL 237 Ca -0.04 -1.10 -0.02 0.00 -1.81 0.00 0.00 61.98 59.01 3gtl s VAL 237 Cb -0.06 -1.07 -0.00 0.00 0.56 0.00 0.00 36.38 35.81 3gtl s VAL 237 CO 0.00 -0.04 -0.10 0.00 -0.31 0.00 0.00 175.10 174.65 3gtl s ALA 238 N -0.96 2.65 0.16 1.32 0.00 -1.15 0.95 121.76 124.75 3gtl s ALA 238 Ca 0.01 -1.14 0.06 0.00 0.00 0.00 0.00 51.96 50.90 3gtl s ALA 238 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.51 3gtl s ALA 238 CO 0.02 -0.30 0.05 -1.21 0.00 0.00 0.00 175.76 174.32 3gtl s GLU 239 N 1.24 2.61 -0.28 0.00 2.02 0.80 -1.53 118.70 123.56 3gtl s GLU 239 Ca 0.03 -0.99 0.02 0.00 0.02 0.00 0.00 54.97 54.04 3gtl s GLU 239 Cb -0.14 -2.49 0.18 0.00 0.10 0.00 0.00 34.13 31.78 3gtl s GLU 239 CO -0.04 0.47 0.52 -1.50 0.02 0.00 0.00 175.26 174.73 3gtl s ILE 240 N -1.70 -0.85 -0.31 -1.63 2.07 -1.14 -2.13 121.20 115.50 3gtl s ILE 240 Ca 0.29 -0.08 -0.29 0.00 -1.41 0.00 0.00 60.65 59.16 3gtl s ILE 240 Cb -0.10 -0.97 -0.00 0.00 0.13 0.00 0.00 42.46 41.52 3gtl s ILE 240 CO 0.20 -0.08 1.44 -0.13 -1.91 0.00 0.00 174.94 174.46 3gtl s ARG 241 N 2.73 3.76 -0.20 3.50 0.52 -1.26 -2.95 118.95 125.06 3gtl s ARG 241 Ca 0.14 1.29 -0.04 0.00 -0.52 0.00 0.00 55.73 56.59 3gtl s ARG 241 Cb -0.13 -3.97 -0.02 0.00 0.52 0.00 0.00 34.95 31.35 3gtl s ARG 241 CO -0.24 -1.32 -0.03 -1.54 0.02 0.00 0.00 175.30 172.20 3gtl s SER 242 N 3.64 4.58 0.05 0.23 1.04 -0.99 0.19 113.70 122.45 3gtl s SER 242 Ca 0.63 -0.27 -0.10 0.00 0.48 0.00 0.00 55.95 56.69 3gtl s SER 242 Cb -0.18 -1.78 0.01 0.00 0.10 0.00 0.00 66.02 64.17 3gtl s SER 242 CO 0.28 0.05 0.22 0.00 0.98 0.00 0.00 173.24 174.76 3gtl s ALA 243 N 1.07 -0.39 -0.21 5.32 0.00 -1.26 -3.18 121.76 123.10 3gtl s ALA 243 Ca 0.01 -0.31 -0.03 0.00 0.00 0.00 0.00 51.96 51.64 3gtl s ALA 243 Cb -0.15 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.31 3gtl s ALA 243 CO 0.01 -0.41 -0.07 -0.51 0.00 0.00 0.00 175.76 174.78 3gtl s LEU 244 N -2.27 2.78 0.57 0.00 1.02 -1.26 -4.70 118.68 114.82 3gtl s LEU 244 Ca -0.03 -0.42 0.27 0.00 0.02 0.00 0.00 54.13 53.97 3gtl s LEU 244 Cb 0.00 -1.69 1.58 0.00 0.02 0.00 0.00 46.19 46.10 3gtl s LEU 244 CO -0.06 -0.01 2.09 1.05 0.02 0.00 0.00 176.35 179.45 3gtl h GLU 245 N 8.00 0.00 0.00 1.70 4.11 -2.00 -2.25 114.58 124.14 3gtl h GLU 245 Ca -0.41 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.01 3gtl h GLU 245 Cb 1.16 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3gtl h GLU 245 CO 0.61 0.00 -0.41 0.36 0.07 0.00 0.00 179.01 179.63 3gtl n LYS 246 N -3.95 1.42 -3.39 1.06 2.85 -1.26 -5.01 118.16 109.86 3gtl n LYS 246 Ca 0.02 -3.04 -0.14 0.00 -1.05 0.00 0.00 58.31 54.10 3gtl n LYS 246 Cb 0.35 -1.50 -0.09 0.00 -0.65 0.00 0.00 35.03 33.14 3gtl n LYS 246 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 3gtl s GLY 247 N -3.06 -0.23 0.00 2.58 0.00 -0.85 -4.97 107.32 100.79 3gtl s GLY 247 Ca 0.36 0.14 0.00 0.00 0.00 0.00 0.00 44.72 45.22 3gtl s GLY 247 CO -0.05 2.61 0.00 1.44 0.00 0.00 0.00 173.10 177.10 3gtl n SER 248 N 5.33 0.00 -2.93 1.64 7.64 -1.26 -4.57 113.62 119.48 3gtl n SER 248 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 3gtl n SER 248 Cb 0.48 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.70 3gtl n SER 248 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 3gtl n ARG 249 N 6.48 0.85 -2.50 1.43 3.00 -1.26 -5.01 116.66 119.65 3gtl n ARG 249 Ca 0.00 -2.42 -0.41 0.00 -0.00 0.00 0.00 57.85 55.02 3gtl n ARG 249 Cb 0.00 -1.34 0.01 0.00 0.00 0.00 0.00 32.46 31.13 3gtl n ARG 249 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.63 178.82 3gtl n PHE 250 N 1.08 2.73 -1.62 -0.14 3.72 -1.26 -4.98 117.46 116.98 3gtl n PHE 250 Ca 0.14 -2.62 -0.15 0.00 -0.05 0.00 0.00 57.45 54.77 3gtl n PHE 250 Cb 0.63 -1.34 -0.07 0.00 -0.94 0.00 0.00 39.48 37.76 3gtl n PHE 250 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3gtl s ILE 251 N -3.62 3.06 -0.25 4.37 -1.09 -1.26 -4.87 121.20 117.54 3gtl s ILE 251 Ca 0.42 -0.04 -0.22 0.00 -2.23 0.00 0.00 60.65 58.58 3gtl s ILE 251 Cb 0.19 -3.13 -0.01 0.00 -1.58 0.00 0.00 42.46 37.93 3gtl s ILE 251 CO -0.12 -0.12 0.70 -0.55 -1.23 0.00 0.00 174.94 173.62 3gtl s SER 252 N 10.62 6.68 -0.27 3.58 0.15 -1.19 -4.97 113.70 128.30 3gtl s SER 252 Ca 0.90 0.84 -0.05 0.00 0.70 0.00 0.00 55.95 58.34 3gtl s SER 252 Cb -0.12 -2.37 0.01 0.00 -1.71 0.00 0.00 66.02 61.82 3gtl s SER 252 CO 0.08 -0.42 0.03 0.42 1.20 0.00 0.00 173.24 174.54 3gtl s THR 253 N 2.61 3.64 -0.17 6.45 -4.23 -1.26 -2.35 115.64 120.32 3gtl s THR 253 Ca 0.29 -0.70 -0.05 0.00 -1.18 0.00 0.00 61.69 60.06 3gtl s THR 253 Cb -0.15 -2.82 -0.03 0.00 1.34 0.00 0.00 72.50 70.83 3gtl s THR 253 CO 0.08 0.18 0.01 -0.22 -0.54 0.00 0.00 174.62 174.13 3gtl s LEU 254 N 1.46 3.46 -0.07 4.79 2.96 -1.15 -4.66 118.68 125.47 3gtl s LEU 254 Ca 0.03 -0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.90 3gtl s LEU 254 Cb -0.16 -1.86 -0.03 0.00 0.50 0.00 0.00 46.19 44.64 3gtl s LEU 254 CO -0.00 0.15 -0.12 -1.10 -1.32 0.00 0.00 176.35 173.96 3gtl s GLN 255 N 0.48 2.68 -0.87 1.98 -0.21 -1.25 -2.88 119.66 119.59 3gtl s GLN 255 Ca -0.01 -0.66 -0.00 0.00 0.02 0.00 0.00 55.36 54.71 3gtl s GLN 255 Cb -0.14 -2.46 0.23 0.00 1.00 0.00 0.00 33.01 31.64 3gtl s GLN 255 CO 0.02 0.57 0.83 0.28 -2.12 0.00 0.00 175.29 174.88 3gtl n VAL 256 N 2.47 3.08 -0.53 1.09 0.31 -0.58 -1.02 118.33 123.15 3gtl n VAL 256 Ca -0.17 -5.20 -0.29 0.00 -0.01 0.00 0.00 64.34 58.66 3gtl n VAL 256 Cb 0.52 -2.30 0.24 0.00 -0.91 0.00 0.00 33.84 31.39 3gtl n VAL 256 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3gtl n LYS 257 N 1.98 -2.25 -3.30 5.55 5.02 -0.99 -2.92 118.16 121.25 3gtl n LYS 257 Ca 0.23 -0.63 -0.10 0.00 -2.02 0.00 0.00 58.31 55.79 3gtl n LYS 257 Cb 0.37 -2.06 -0.05 0.00 -0.02 0.00 0.00 35.03 33.27 3gtl n LYS 257 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gtl s LEU 258 N -5.78 -0.61 0.99 -0.35 2.96 -1.03 -3.88 118.68 110.98 3gtl s LEU 258 Ca 0.66 -1.21 -0.12 0.00 -0.22 0.00 0.00 54.13 53.24 3gtl s LEU 258 Cb -0.22 1.08 0.19 0.00 0.50 0.00 0.00 46.19 47.73 3gtl s LEU 258 CO 0.65 -0.24 1.08 -0.31 -1.32 0.00 0.00 176.35 176.22 3gtl s TYR 259 N 1.67 1.86 0.00 5.38 1.51 -0.97 -2.06 117.35 124.74 3gtl s TYR 259 Ca 0.16 1.32 0.00 0.00 -1.01 0.00 0.00 57.07 57.54 3gtl s TYR 259 Cb -0.11 -3.18 0.00 0.00 -0.11 0.00 0.00 41.96 38.55 3gtl s TYR 259 CO -0.07 -2.98 0.00 0.41 -1.11 0.00 0.00 175.55 171.80 3gtl n GLY 260 N -0.25 -2.71 3.46 0.71 0.00 -1.17 -4.24 105.19 100.99 3gtl n GLY 260 Ca 0.07 -0.82 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 3gtl n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtl s ARG 261 N -2.80 -1.83 0.03 1.61 1.81 -1.26 -4.61 118.95 111.89 3gtl s ARG 261 Ca 0.00 0.15 -0.30 0.00 -1.72 0.00 0.00 55.73 53.86 3gtl s ARG 261 Cb 0.00 -1.51 -0.08 0.00 -0.45 0.00 0.00 34.95 32.91 3gtl s ARG 261 CO 0.00 -4.16 1.85 -2.00 -0.68 0.00 0.00 175.30 170.31 3gtl s GLU 262 N -5.13 4.16 0.00 3.54 -6.30 -1.26 -2.39 118.70 111.31 3gtl s GLU 262 Ca 0.69 2.48 0.00 0.00 -2.50 0.00 0.00 54.97 55.64 3gtl s GLU 262 Cb -0.13 -4.00 0.00 0.00 0.00 0.00 0.00 34.13 29.99 3gtl s GLU 262 CO 0.58 -0.90 0.00 0.41 0.02 0.00 0.00 175.26 175.37 3gtl n GLY 263 N 4.36 2.57 2.10 -1.50 0.00 -1.26 -5.01 105.19 106.45 3gtl n GLY 263 Ca 0.19 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 3gtl n GLY 263 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gtl n SER 264 N 2.97 0.44 -4.70 1.61 2.88 -1.01 -4.73 113.62 111.09 3gtl n SER 264 Ca 0.00 0.40 -0.43 0.00 -1.33 0.00 0.00 58.87 57.51 3gtl n SER 264 Cb 0.00 -0.58 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 3gtl n SER 264 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 3gtl n SER 265 N 5.02 3.06 -2.24 -3.46 3.41 -1.26 -4.42 113.62 113.74 3gtl n SER 265 Ca 0.36 1.17 -0.03 0.00 -0.26 0.00 0.00 58.87 60.11 3gtl n SER 265 Cb -0.02 -1.49 -0.02 0.00 -0.26 0.00 0.00 64.21 62.41 3gtl n SER 265 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gtl n ALA 266 N 1.39 -3.44 -2.40 7.33 0.00 -1.26 -4.93 120.51 117.21 3gtl n ALA 266 Ca 0.08 1.26 -0.43 0.00 0.00 0.00 0.00 53.44 54.36 3gtl n ALA 266 Cb 0.34 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.34 3gtl n ALA 266 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gtl n ARG 267 N 0.93 3.68 -1.80 0.00 1.74 -1.26 -4.72 116.66 115.23 3gtl n ARG 267 Ca -0.20 -3.61 -0.42 0.00 -0.77 0.00 0.00 57.85 52.85 3gtl n ARG 267 Cb 0.31 -2.89 -0.03 0.00 -1.02 0.00 0.00 32.46 28.83 3gtl n ARG 267 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3gtl s THR 268 N 0.16 2.48 -0.38 0.55 -1.32 -1.26 -4.63 115.64 111.24 3gtl s THR 268 Ca 0.39 0.20 -0.10 0.00 -1.21 0.00 0.00 61.69 60.96 3gtl s THR 268 Cb 0.09 -3.13 0.03 0.00 -1.51 0.00 0.00 72.50 67.99 3gtl s THR 268 CO 0.01 0.01 0.20 -0.63 -2.21 0.00 0.00 174.62 172.00 3gtl s ILE 269 N 1.89 4.45 0.52 5.08 1.01 -1.26 -2.30 121.20 130.60 3gtl s ILE 269 Ca 0.76 -0.96 0.07 0.00 0.00 0.00 0.00 60.65 60.52 3gtl s ILE 269 Cb -0.46 -3.52 0.03 0.00 0.01 0.00 0.00 42.46 38.53 3gtl s ILE 269 CO 0.33 -0.26 0.47 -0.54 0.00 0.00 0.00 174.94 174.94 3gtl s LYS 270 N 1.52 2.33 0.03 2.79 1.02 -1.25 -2.46 119.74 123.71 3gtl s LYS 270 Ca 0.02 -1.84 -0.05 0.00 0.02 0.00 0.00 55.97 54.12 3gtl s LYS 270 Cb -0.20 -2.27 -0.01 0.00 -0.52 0.00 0.00 37.83 34.83 3gtl s LYS 270 CO 0.06 -0.57 0.09 0.00 -0.92 0.00 0.00 175.35 174.01 3gtl s ALA 271 N -2.68 -0.09 -0.01 5.17 0.00 -0.97 -2.34 121.76 120.83 3gtl s ALA 271 Ca 0.43 -0.48 -0.08 0.00 0.00 0.00 0.00 51.96 51.83 3gtl s ALA 271 Cb -0.03 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.25 3gtl s ALA 271 CO 0.26 -0.28 0.27 0.99 0.00 0.00 0.00 175.76 177.00 3gtl s THR 272 N -2.25 5.29 -0.03 0.00 2.01 -0.19 -1.22 115.64 119.26 3gtl s THR 272 Ca -0.08 0.25 0.04 0.00 0.31 0.00 0.00 61.69 62.21 3gtl s THR 272 Cb -0.03 -3.56 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 3gtl s THR 272 CO -0.03 0.42 -0.13 -0.76 -0.69 0.00 0.00 174.62 173.43 3gtl s LEU 273 N -1.60 1.91 0.15 4.42 1.43 -1.26 -3.89 118.68 119.84 3gtl s LEU 273 Ca 0.26 -0.26 -0.34 0.00 -1.03 0.00 0.00 54.13 52.76 3gtl s LEU 273 Cb -0.13 -0.74 -0.15 0.00 0.03 0.00 0.00 46.19 45.20 3gtl s LEU 273 CO 0.14 0.13 1.40 -0.81 0.23 0.00 0.00 176.35 177.44 3gtl n PRO 274 N 3.06 1.64 -0.59 1.29 -0.04 -1.26 -2.13 135.00 136.97 3gtl n PRO 274 Ca -0.17 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 63.88 3gtl n PRO 274 Cb 0.54 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.75 3gtl n PRO 274 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gtl n TYR 275 N 2.54 0.00 -3.80 0.54 4.01 -1.26 -4.94 117.16 114.25 3gtl n TYR 275 Ca 0.16 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.54 3gtl n TYR 275 Cb 0.25 -0.14 -0.06 0.00 -0.31 0.00 0.00 39.34 39.09 3gtl n TYR 275 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gtl s ILE 276 N -3.35 5.38 0.42 -0.72 1.01 -0.90 -5.03 121.20 118.01 3gtl s ILE 276 Ca 0.00 0.24 0.15 0.00 0.00 0.00 0.00 60.65 61.04 3gtl s ILE 276 Cb 0.00 -3.51 0.17 0.00 0.01 0.00 0.00 42.46 39.13 3gtl s ILE 276 CO 0.00 0.51 1.95 0.11 0.00 0.00 0.00 174.94 177.50 3gtl h LYS 277 N 4.52 0.00 0.00 2.79 1.57 -1.95 -3.46 116.57 120.04 3gtl h LYS 277 Ca -0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3gtl h LYS 277 Cb 1.21 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.52 3gtl h LYS 277 CO 0.62 0.23 0.00 0.94 -0.57 0.00 0.00 179.45 180.68 3gtl n GLN 278 N -4.18 0.00 -4.56 3.15 7.27 -1.26 -5.17 117.38 112.64 3gtl n GLN 278 Ca -0.02 0.00 -0.32 0.00 0.07 0.00 0.00 57.00 56.73 3gtl n GLN 278 Cb 0.29 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.83 3gtl n GLN 278 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 3gtl s ASP 279 N 1.25 4.37 -0.17 1.69 1.01 -1.26 -4.47 116.67 119.09 3gtl s ASP 279 Ca 0.00 -0.21 0.00 0.00 0.71 0.00 0.00 52.55 53.06 3gtl s ASP 279 Cb 0.00 -0.95 0.03 0.00 1.01 0.00 0.00 42.92 43.01 3gtl s ASP 279 CO 0.00 0.29 -0.11 -0.63 0.21 0.00 0.00 175.17 174.93 3gtl s ILE 280 N -0.94 1.51 0.44 0.77 -1.09 -0.36 -4.82 121.20 116.72 3gtl s ILE 280 Ca 0.16 -0.76 -0.23 0.00 -2.23 0.00 0.00 60.65 57.59 3gtl s ILE 280 Cb -0.11 -1.53 -0.11 0.00 -1.58 0.00 0.00 42.46 39.14 3gtl s ILE 280 CO 0.06 0.30 0.78 -2.65 -1.23 0.00 0.00 174.94 172.20 3gtl n PRO 281 N 4.76 0.93 0.23 2.79 -0.02 -1.26 -2.29 135.00 140.13 3gtl n PRO 281 Ca -0.15 0.34 0.13 0.00 -2.02 0.00 0.00 63.50 61.79 3gtl n PRO 281 Cb 0.48 -1.81 0.35 0.00 -0.02 0.00 0.00 33.50 32.51 3gtl n PRO 281 CO 0.00 0.00 0.00 -0.84 1.98 0.00 0.00 175.50 176.64 3gtl h ILE 282 N 1.06 0.15 -0.08 4.25 -0.00 -1.81 -2.70 117.51 118.38 3gtl h ILE 282 Ca -0.43 -0.98 -0.22 0.00 -0.00 0.00 0.00 64.86 63.23 3gtl h ILE 282 Cb 1.37 1.86 0.01 0.00 -0.00 0.00 0.00 36.82 40.06 3gtl h ILE 282 CO 0.53 0.08 -0.85 -0.37 -0.00 0.00 0.00 178.15 177.54 3gtl h VAL 283 N 0.00 1.32 0.28 0.16 -1.51 -1.87 0.22 116.25 114.85 3gtl h VAL 283 Ca -0.00 -2.14 -0.00 0.00 -1.23 0.00 0.00 66.70 63.32 3gtl h VAL 283 Cb 0.85 2.16 -0.01 0.00 -2.13 0.00 0.00 31.29 32.16 3gtl h VAL 283 CO 0.01 0.66 -0.24 0.40 -1.23 0.00 0.00 177.57 177.17 3gtl h ILE 284 N 0.40 0.49 -0.09 7.19 2.04 -1.82 0.13 117.51 125.84 3gtl h ILE 284 Ca -0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.84 3gtl h ILE 284 Cb 1.47 0.49 -0.06 0.00 -0.74 0.00 0.00 36.82 37.98 3gtl h ILE 284 CO 0.16 0.00 -0.32 0.40 0.00 0.00 0.00 178.15 178.40 3gtl h ILE 285 N -0.54 0.30 -0.83 -0.67 1.08 -1.46 0.75 117.51 116.13 3gtl h ILE 285 Ca -0.02 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.66 3gtl h ILE 285 Cb 0.48 0.30 -0.05 0.00 -3.07 0.00 0.00 36.82 34.48 3gtl h ILE 285 CO -0.03 0.00 0.57 -0.26 -0.69 0.00 0.00 178.15 177.74 3gtl h PHE 286 N -0.41 0.32 -0.02 1.37 0.05 -0.43 0.93 116.94 118.74 3gtl h PHE 286 Ca 0.09 0.01 -0.03 0.00 3.82 0.00 0.00 57.97 61.86 3gtl h PHE 286 Cb 0.54 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.40 3gtl h PHE 286 CO -0.38 0.09 -0.09 0.00 -0.18 0.00 0.00 178.31 177.75 3gtl h ARG 287 N 0.24 0.10 -0.02 1.51 3.08 0.07 -2.71 114.38 116.65 3gtl h ARG 287 Ca 0.42 -0.08 0.01 0.00 0.07 0.00 0.00 59.98 60.39 3gtl h ARG 287 Cb 1.25 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 31.32 3gtl h ARG 287 CO -0.10 0.72 0.13 0.00 -1.07 0.00 0.00 179.97 179.65 3gtl h ALA 288 N 0.38 1.22 0.00 0.04 0.00 0.14 0.74 119.26 121.78 3gtl h ALA 288 Ca -0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3gtl h ALA 288 Cb 0.73 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3gtl h ALA 288 CO 0.02 -0.14 -0.31 -0.07 0.00 0.00 0.00 179.25 178.75 3gtl h LEU 289 N 0.00 0.00 0.00 0.00 3.38 -1.01 -3.47 115.31 114.21 3gtl h LEU 289 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3gtl h LEU 289 Cb 0.28 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.03 3gtl h LEU 289 CO -0.00 0.31 0.00 0.61 0.09 0.00 0.00 178.44 179.45 3gtl n GLY 290 N 0.89 1.58 3.43 0.83 0.00 0.26 -4.78 105.19 107.40 3gtl n GLY 290 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3gtl n GLY 290 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtl s ILE 291 N -2.00 4.27 -0.21 -0.61 1.09 -1.03 -5.03 121.20 117.68 3gtl s ILE 291 Ca 0.00 -0.25 -0.20 0.00 -1.10 0.00 0.00 60.65 59.11 3gtl s ILE 291 Cb 0.00 -3.02 -0.19 0.00 -1.06 0.00 0.00 42.46 38.19 3gtl s ILE 291 CO 0.00 0.30 0.16 -0.38 -0.10 0.00 0.00 174.94 174.92 3gtl n ILE 292 N 4.92 1.55 -1.73 2.92 2.08 -1.26 -3.00 119.36 124.84 3gtl n ILE 292 Ca -0.16 -0.11 -0.31 0.00 0.56 0.00 0.00 62.75 62.73 3gtl n ILE 292 Cb 0.51 -2.00 0.04 0.00 -0.75 0.00 0.00 39.64 37.44 3gtl n ILE 292 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3gtl s PRO 293 N -2.39 3.10 0.26 0.38 0.04 -1.26 -4.86 135.00 130.27 3gtl s PRO 293 Ca -0.29 0.77 -0.04 0.00 0.04 0.00 0.00 61.00 61.48 3gtl s PRO 293 Cb 0.07 -2.02 0.07 0.00 0.04 0.00 0.00 34.50 32.65 3gtl s PRO 293 CO 0.59 -0.93 0.15 -0.25 0.04 0.00 0.00 177.00 176.60 3gtl n ASP 294 N -2.99 -2.15 0.00 6.66 10.43 -1.26 -3.10 116.55 124.13 3gtl n ASP 294 Ca 0.07 -0.15 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3gtl n ASP 294 Cb 0.54 -0.18 0.00 0.00 1.84 0.00 0.00 41.12 43.32 3gtl n ASP 294 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3gtl n GLY 295 N -0.90 0.27 0.13 0.44 0.00 -1.26 -3.27 105.19 100.59 3gtl n GLY 295 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3gtl n GLY 295 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gtl h GLU 296 N 0.00 0.28 -0.99 1.61 4.81 -1.98 -3.12 114.58 115.18 3gtl h GLU 296 Ca 0.00 -0.36 0.14 0.00 -0.13 0.00 0.00 59.36 59.02 3gtl h GLU 296 Cb 0.00 0.11 -0.09 0.00 0.63 0.00 0.00 28.75 29.40 3gtl h GLU 296 CO 0.00 1.09 0.61 0.82 -0.73 0.00 0.00 179.01 180.80 3gtl h ILE 297 N 0.13 0.84 -0.29 2.32 1.08 -1.52 -1.74 117.51 118.33 3gtl h ILE 297 Ca -0.08 -0.31 -0.08 0.00 -0.39 0.00 0.00 64.86 64.00 3gtl h ILE 297 Cb 1.68 -0.14 -0.02 0.00 -3.07 0.00 0.00 36.82 35.28 3gtl h ILE 297 CO 0.16 0.16 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.55 3gtl h LEU 298 N 0.90 0.50 -1.08 1.44 3.38 -1.83 -3.15 115.31 115.46 3gtl h LEU 298 Ca 0.52 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 58.31 3gtl h LEU 298 Cb 0.63 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 3gtl h LEU 298 CO -0.31 0.68 0.24 -0.33 0.09 0.00 0.00 178.44 178.82 3gtl h GLU 299 N 0.46 0.90 -0.08 1.13 4.39 -1.32 0.12 114.58 120.18 3gtl h GLU 299 Ca 0.08 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3gtl h GLU 299 Cb 0.56 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3gtl h GLU 299 CO 0.04 0.74 0.03 0.45 -1.16 0.00 0.00 179.01 179.10 3gtl h HIS 300 N 0.89 0.10 0.00 4.33 3.86 -1.50 -3.39 115.15 119.44 3gtl h HIS 300 Ca 0.21 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.42 3gtl h HIS 300 Cb 0.18 -0.03 0.00 0.00 1.06 0.00 0.00 27.41 28.61 3gtl h HIS 300 CO 0.01 0.09 0.00 -0.89 0.86 0.00 0.00 177.93 178.00 3gtl n ILE 301 N -4.50 0.00 -2.99 2.45 5.41 0.19 -4.06 119.36 115.87 3gtl n ILE 301 Ca -0.02 0.16 -0.41 0.00 1.00 0.00 0.00 62.75 63.49 3gtl n ILE 301 Cb 0.11 -0.86 -0.05 0.00 -0.71 0.00 0.00 39.64 38.13 3gtl n ILE 301 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtl n TYR 303 N 5.02 2.41 -3.62 0.00 4.02 -1.26 -4.50 117.16 119.24 3gtl n TYR 303 Ca 0.02 -2.05 -0.09 0.00 -0.01 0.00 0.00 57.90 55.77 3gtl n TYR 303 Cb 0.49 -1.01 -0.06 0.00 -0.02 0.00 0.00 39.34 38.74 3gtl n TYR 303 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 3gtl s ASP 304 N -0.84 -0.36 0.00 7.72 2.15 -1.26 -4.86 116.67 119.22 3gtl s ASP 304 Ca 0.47 0.56 0.22 0.00 0.43 0.00 0.00 52.55 54.23 3gtl s ASP 304 Cb 0.38 0.53 0.32 0.00 -0.30 0.00 0.00 42.92 43.85 3gtl s ASP 304 CO 0.04 -0.21 1.31 0.52 -0.17 0.00 0.00 175.17 176.66 3gtl n VAL 305 N 1.47 0.34 0.13 1.11 0.31 -1.26 -4.09 118.33 116.34 3gtl n VAL 305 Ca -0.11 -0.67 -0.24 0.00 -0.01 0.00 0.00 64.34 63.31 3gtl n VAL 305 Cb 0.57 1.14 -0.15 0.00 -0.91 0.00 0.00 33.84 34.48 3gtl n VAL 305 CO 0.00 0.00 0.00 0.78 -1.32 0.00 0.00 176.83 176.29 3gtl h ASN 306 N 4.27 0.81 -0.10 4.52 2.35 -2.00 -3.42 115.58 122.01 3gtl h ASN 306 Ca 0.00 -0.91 -0.46 0.00 -0.55 0.00 0.00 56.30 54.38 3gtl h ASN 306 Cb 0.94 -0.26 0.06 0.00 0.05 0.00 0.00 38.32 39.10 3gtl h ASN 306 CO 0.00 1.66 1.37 -0.67 -1.65 0.00 0.00 177.43 178.14 3gtl n ASP 307 N -3.78 1.93 -0.27 5.81 2.03 -1.26 -4.74 116.55 116.26 3gtl n ASP 307 Ca -0.16 -2.59 -0.03 0.00 0.52 0.00 0.00 54.79 52.53 3gtl n ASP 307 Cb 1.05 -1.14 0.09 0.00 -0.72 0.00 0.00 41.12 40.40 3gtl n ASP 307 CO 0.00 0.00 0.00 4.11 -1.92 0.00 0.00 177.20 179.39 3gtl h TRP 308 N 9.57 0.90 -0.71 -0.67 5.08 -1.91 -2.99 115.95 125.23 3gtl h TRP 308 Ca 0.26 0.02 0.16 0.00 1.08 0.00 0.00 58.89 60.41 3gtl h TRP 308 Cb 0.79 -0.30 -0.12 0.00 -3.00 0.00 0.00 29.16 26.54 3gtl h TRP 308 CO 1.12 0.51 0.07 1.96 -1.28 0.00 0.00 178.44 180.82 3gtl h GLN 309 N 0.93 0.16 0.42 0.12 4.20 -2.00 0.31 115.11 119.26 3gtl h GLN 309 Ca 0.31 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.99 3gtl h GLN 309 Cb 0.02 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.75 3gtl h GLN 309 CO -0.12 0.11 -0.42 1.98 -0.67 0.00 0.00 178.83 179.71 3gtl h MET 310 N 0.17 -0.81 -0.67 1.46 4.05 -1.94 -2.35 114.93 114.84 3gtl h MET 310 Ca 0.39 0.06 0.19 0.00 -0.28 0.00 0.00 59.70 60.06 3gtl h MET 310 Cb 0.67 0.18 -0.03 0.00 -0.80 0.00 0.00 31.60 31.63 3gtl h MET 310 CO -0.57 -0.54 0.48 -0.07 0.23 0.00 0.00 176.91 176.44 3gtl h LEU 311 N -0.84 0.02 -0.22 3.39 3.38 -0.46 0.60 115.31 121.18 3gtl h LEU 311 Ca -0.05 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.77 3gtl h LEU 311 Cb 0.73 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 3gtl h LEU 311 CO -0.05 0.01 -0.46 -0.08 0.09 0.00 0.00 178.44 177.95 3gtl h GLU 312 N 0.02 0.70 0.00 1.13 4.57 -0.74 -3.03 114.58 117.23 3gtl h GLU 312 Ca 0.32 -0.46 -0.00 0.00 -1.18 0.00 0.00 59.36 58.04 3gtl h GLU 312 Cb 1.25 0.06 -0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3gtl h GLU 312 CO -0.01 1.08 -0.00 0.52 -1.18 0.00 0.00 179.01 179.42 3gtl h MET 313 N 0.41 0.00 0.00 1.92 2.86 0.76 -2.62 114.93 118.26 3gtl h MET 313 Ca 0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 3gtl h MET 313 Cb 1.07 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.70 3gtl h MET 313 CO 0.10 0.00 -1.80 1.28 1.06 0.00 0.00 176.91 177.55 3gtl n LEU 314 N -3.15 0.36 -0.32 1.22 4.77 -1.07 -4.43 117.00 114.38 3gtl n LEU 314 Ca -0.03 0.15 0.22 0.00 -0.03 0.00 0.00 56.01 56.33 3gtl n LEU 314 Cb 0.07 0.14 0.42 0.00 -2.33 0.00 0.00 43.42 41.72 3gtl n LEU 314 CO 0.21 0.15 0.89 0.29 -1.33 0.00 0.00 177.39 177.59 3gtl n LYS 315 N -2.62 -0.07 0.02 3.23 5.02 -0.99 0.31 118.16 123.07 3gtl n LYS 315 Ca -0.12 1.39 0.18 0.00 -2.02 0.00 0.00 58.31 57.73 3gtl n LYS 315 Cb 0.80 -2.34 0.67 0.00 -0.02 0.00 0.00 35.03 34.13 3gtl n LYS 315 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3gtl h PRO 316 N 0.00 0.04 0.08 1.97 0.13 -1.79 -3.06 132.00 129.37 3gtl h PRO 316 Ca 0.70 -0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.82 3gtl h PRO 316 Cb 1.67 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.79 3gtl h PRO 316 CO -0.83 0.03 -0.04 0.00 -0.23 0.00 0.00 178.00 176.93 3gtl h VAL 318 N -0.62 0.23 0.00 0.00 2.07 -1.56 -1.82 116.25 114.54 3gtl h VAL 318 Ca -0.01 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.47 3gtl h VAL 318 Cb 0.52 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3gtl h VAL 318 CO 0.02 0.02 0.00 -0.33 0.02 0.00 0.00 177.57 177.30 3gtl h GLU 319 N 0.13 0.00 0.00 1.57 5.08 -1.58 0.39 114.58 120.17 3gtl h GLU 319 Ca 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.90 3gtl h GLU 319 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 3gtl h GLU 319 CO -0.73 0.00 -0.16 -3.47 -1.00 0.00 0.00 179.01 173.65 3gtl n ASP 320 N -2.96 0.61 -0.07 1.42 -0.08 -0.75 -4.50 116.55 110.22 3gtl n ASP 320 Ca 0.03 0.42 -0.11 0.00 -1.51 0.00 0.00 54.79 53.62 3gtl n ASP 320 Cb 0.44 -0.48 -0.09 0.00 2.34 0.00 0.00 41.12 43.34 3gtl n ASP 320 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 3gtl h GLY 321 N 4.64 0.00 -2.70 0.27 0.00 0.42 -3.38 103.07 102.33 3gtl h GLY 321 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gtl h GLY 321 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 176.54 178.51 3gtl n PHE 322 N -4.62 0.00 1.15 5.60 1.16 -0.87 -0.59 117.46 119.29 3gtl n PHE 322 Ca -0.12 -0.65 0.12 0.00 -1.87 0.00 0.00 57.45 54.94 3gtl n PHE 322 Cb 0.39 -0.36 0.21 0.00 -1.61 0.00 0.00 39.48 38.11 3gtl n PHE 322 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 3gtl n VAL 323 N 1.18 0.00 -3.66 1.97 0.31 -1.26 -4.88 118.33 111.99 3gtl n VAL 323 Ca 0.00 -0.29 -0.09 0.00 -0.01 0.00 0.00 64.34 63.96 3gtl n VAL 323 Cb 0.41 0.97 -0.10 0.00 -0.91 0.00 0.00 33.84 34.21 3gtl n VAL 323 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtl s ILE 324 N -2.28 -0.55 -0.05 2.52 1.01 0.25 -5.07 121.20 117.03 3gtl s ILE 324 Ca 0.26 0.16 0.07 0.00 0.00 0.00 0.00 60.65 61.13 3gtl s ILE 324 Cb 0.19 -0.66 0.10 0.00 0.01 0.00 0.00 42.46 42.11 3gtl s ILE 324 CO 0.45 0.07 1.05 1.67 0.00 0.00 0.00 174.94 178.18 3gtl n GLN 325 N 5.21 0.45 -3.70 2.79 -0.06 -1.26 -4.91 117.38 115.91 3gtl n GLN 325 Ca -0.11 -1.56 -0.14 0.00 -2.00 0.00 0.00 57.00 53.19 3gtl n GLN 325 Cb 0.50 -0.85 -0.09 0.00 -4.06 0.00 0.00 30.24 25.74 3gtl n GLN 325 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 3gtl s ASP 326 N -1.67 -0.44 0.28 1.69 -4.77 -1.26 -4.94 116.67 105.56 3gtl s ASP 326 Ca 0.11 0.71 0.10 0.00 -3.30 0.00 0.00 52.55 50.18 3gtl s ASP 326 Cb 0.10 0.75 0.90 0.00 -1.09 0.00 0.00 42.92 43.58 3gtl s ASP 326 CO 0.01 -0.30 1.30 0.54 0.70 0.00 0.00 175.17 177.43 3gtl n ARG 327 N 2.17 -0.06 0.08 2.11 1.74 -1.26 -1.04 116.66 120.40 3gtl n ARG 327 Ca -0.16 1.19 -0.06 0.00 -0.77 0.00 0.00 57.85 58.05 3gtl n ARG 327 Cb 0.57 -2.02 -0.06 0.00 -1.02 0.00 0.00 32.46 29.92 3gtl n ARG 327 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3gtl h GLU 328 N 0.00 0.01 0.00 5.56 5.08 -1.95 -3.14 114.58 120.13 3gtl h GLU 328 Ca 0.61 -0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.84 3gtl h GLU 328 Cb 1.49 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.72 3gtl h GLU 328 CO -0.70 0.93 -2.03 0.25 -1.00 0.00 0.00 179.01 176.46 3gtl n THR 329 N -3.44 0.54 -0.26 1.13 -2.24 -0.77 -3.13 114.28 106.10 3gtl n THR 329 Ca -0.00 -0.63 0.14 0.00 -2.27 0.00 0.00 64.05 61.29 3gtl n THR 329 Cb 0.88 -0.21 0.41 0.00 -2.10 0.00 0.00 70.33 69.31 3gtl n THR 329 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gtl h ALA 330 N 1.65 1.92 0.12 6.98 0.00 -1.11 0.22 119.26 129.05 3gtl h ALA 330 Ca -0.18 0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.47 3gtl h ALA 330 Cb 1.43 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.12 3gtl h ALA 330 CO 0.01 -0.18 -1.33 -0.07 0.00 0.00 0.00 179.25 177.69 3gtl h LEU 331 N 0.62 0.40 -0.24 0.00 4.07 -1.71 -3.41 115.31 115.04 3gtl h LEU 331 Ca 0.46 -0.46 0.05 0.00 0.08 0.00 0.00 57.88 58.00 3gtl h LEU 331 Cb 0.83 -0.13 -0.05 0.00 1.08 0.00 0.00 40.66 42.39 3gtl h LEU 331 CO -0.21 1.37 -0.10 -0.78 -1.08 0.00 0.00 178.44 177.64 3gtl h ASP 332 N 0.07 -0.35 -0.12 -0.43 3.58 -0.53 -0.10 116.42 118.55 3gtl h ASP 332 Ca -0.16 0.09 0.03 0.00 0.42 0.00 0.00 57.03 57.41 3gtl h ASP 332 Cb 1.98 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 43.23 3gtl h ASP 332 CO 0.19 -0.13 0.22 0.15 -2.88 0.00 0.00 179.24 176.79 3gtl h PHE 333 N -0.06 0.00 -1.67 0.28 3.57 -1.63 -3.30 116.94 114.12 3gtl h PHE 333 Ca 0.13 0.00 -0.72 0.00 3.53 0.00 0.00 57.97 60.90 3gtl h PHE 333 Cb 0.26 0.00 -0.14 0.00 2.79 0.00 0.00 35.95 38.85 3gtl h PHE 333 CO -0.28 0.00 1.71 -0.89 -2.23 0.00 0.00 178.31 176.62 3gtl n ILE 334 N -3.41 4.15 0.00 1.41 5.41 -0.05 -5.12 119.36 121.75 3gtl n ILE 334 Ca 0.00 -4.47 0.00 0.00 1.00 0.00 0.00 62.75 59.28 3gtl n ILE 334 Cb 0.32 -2.43 0.00 0.00 -0.71 0.00 0.00 39.64 36.82 3gtl n ILE 334 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtl n GLY 335 N 4.36 -0.45 0.03 7.39 0.00 -1.25 -4.61 105.19 110.66 3gtl n GLY 335 Ca 0.41 0.02 -0.02 0.00 0.00 0.00 0.00 46.02 46.43 3gtl n GLY 335 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gtl n LYS 345 N 0.00 0.17 0.00 1.61 4.81 -1.26 -5.07 118.16 118.42 3gtl n LYS 345 Ca 0.00 0.28 0.06 0.00 -0.87 0.00 0.00 58.31 57.78 3gtl n LYS 345 Cb 0.00 -1.03 0.35 0.00 0.02 0.00 0.00 35.03 34.38 3gtl n LYS 345 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 3gtl n GLU 346 N -3.12 0.43 0.13 1.64 -0.00 -1.26 -1.28 120.64 117.18 3gtl n GLU 346 Ca -0.03 0.00 -0.02 0.00 -0.00 0.00 0.00 57.16 57.11 3gtl n GLU 346 Cb 0.12 -1.43 0.16 0.00 -0.00 0.00 0.00 31.44 30.28 3gtl n GLU 346 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.13 178.70 3gtl h LYS 347 N 0.00 0.02 0.00 3.44 5.09 -2.05 -3.27 116.57 119.80 3gtl h LYS 347 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 60.65 60.72 3gtl h LYS 347 Cb 0.00 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.33 3gtl h LYS 347 CO 0.00 0.64 -0.70 2.89 -2.09 0.00 0.00 179.45 180.19 3gtl n ARG 348 N -3.80 0.08 -0.18 0.07 1.85 -0.40 -3.73 116.66 110.55 3gtl n ARG 348 Ca -0.01 0.01 -0.10 0.00 -1.00 0.00 0.00 57.85 56.74 3gtl n ARG 348 Cb 0.62 -1.53 0.01 0.00 -1.05 0.00 0.00 32.46 30.51 3gtl n ARG 348 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 3gtl h ILE 349 N 0.00 1.27 0.37 8.89 5.03 -1.62 -2.90 117.51 128.55 3gtl h ILE 349 Ca 0.00 -1.17 -0.00 0.00 -0.12 0.00 0.00 64.86 63.56 3gtl h ILE 349 Cb 0.56 0.97 -0.02 0.00 -3.03 0.00 0.00 36.82 35.30 3gtl h ILE 349 CO 0.00 0.41 -0.39 1.56 -0.68 0.00 0.00 178.15 179.05 3gtl h GLN 350 N 0.82 -0.76 -0.55 2.37 1.08 -1.66 0.62 115.11 117.03 3gtl h GLN 350 Ca 0.14 0.05 0.16 0.00 -1.45 0.00 0.00 58.65 57.55 3gtl h GLN 350 Cb 0.60 0.17 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 3gtl h GLN 350 CO 0.04 -0.51 0.75 -0.92 -0.95 0.00 0.00 178.83 177.24 3gtl h TYR 351 N -0.79 0.00 0.00 2.96 3.20 -1.64 0.22 116.97 120.92 3gtl h TYR 351 Ca -0.03 0.00 -0.16 0.00 3.14 0.00 0.00 58.73 61.69 3gtl h TYR 351 Cb 0.71 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 3gtl h TYR 351 CO -0.23 0.00 -2.09 0.00 -1.64 0.00 0.00 178.16 174.21 3gtl n ALA 352 N -2.19 2.19 -0.09 1.82 0.00 -0.66 -4.12 120.51 117.47 3gtl n ALA 352 Ca 0.11 -0.83 -0.13 0.00 0.00 0.00 0.00 53.44 52.60 3gtl n ALA 352 Cb 0.94 -0.44 -0.04 0.00 0.00 0.00 0.00 19.45 19.90 3gtl n ALA 352 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3gtl h LYS 353 N 0.00 0.62 0.00 0.00 3.64 0.36 -3.15 116.57 118.03 3gtl h LYS 353 Ca -0.23 -0.30 0.00 0.00 -1.27 0.00 0.00 60.65 58.85 3gtl h LYS 353 Cb 1.49 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.30 3gtl h LYS 353 CO 0.01 0.89 -0.31 -0.40 -2.27 0.00 0.00 179.45 177.37 3gtl n ASP 354 N -4.37 0.43 0.19 4.20 5.75 -0.99 -3.33 116.55 118.44 3gtl n ASP 354 Ca -0.04 0.17 0.14 0.00 -0.01 0.00 0.00 54.79 55.05 3gtl n ASP 354 Cb 0.41 -0.14 0.50 0.00 -1.03 0.00 0.00 41.12 40.87 3gtl n ASP 354 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 3gtl h ILE 355 N 0.00 0.00 -0.52 2.12 2.04 -1.70 0.40 117.51 119.85 3gtl h ILE 355 Ca 0.00 -0.47 0.00 0.00 1.00 0.00 0.00 64.86 65.39 3gtl h ILE 355 Cb 0.58 1.38 0.00 0.00 -0.74 0.00 0.00 36.82 38.04 3gtl h ILE 355 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 178.15 178.33 3gtl n LEU 356 N -2.66 4.75 0.06 1.44 4.77 -1.21 -1.48 117.00 122.66 3gtl n LEU 356 Ca 0.02 -2.41 0.00 0.00 -0.03 0.00 0.00 56.01 53.60 3gtl n LEU 356 Cb 0.33 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 3gtl n LEU 356 CO 0.26 0.63 0.00 0.00 -1.33 0.00 0.00 177.39 176.95 3gtl n GLN 357 N 0.69 0.00 0.00 3.23 6.02 -0.37 -4.76 117.38 122.20 3gtl n GLN 357 Ca 0.23 0.00 0.14 0.00 -0.01 0.00 0.00 57.00 57.36 3gtl n GLN 357 Cb 0.96 -0.22 0.56 0.00 1.02 0.00 0.00 30.24 32.56 3gtl n GLN 357 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3gtl n LYS 358 N -3.16 0.03 0.00 -1.09 5.02 0.13 -4.42 118.16 114.67 3gtl n LYS 358 Ca 0.00 -0.01 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 3gtl n LYS 358 Cb 0.00 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 3gtl n LYS 358 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gtl n GLU 359 N -1.48 0.00 -2.55 1.97 -0.58 -1.25 -4.80 120.64 111.95 3gtl n GLU 359 Ca 0.07 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.38 3gtl n GLU 359 Cb 0.33 -0.36 -0.02 0.00 -0.57 0.00 0.00 31.44 30.82 3gtl n GLU 359 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3gtl s PHE 360 N -1.81 2.89 -0.99 -0.32 5.36 -0.55 -3.71 117.98 118.85 3gtl s PHE 360 Ca 0.00 0.96 -0.13 0.00 -0.96 0.00 0.00 56.93 56.79 3gtl s PHE 360 Cb 0.00 -3.97 0.00 0.00 -0.34 0.00 0.00 43.02 38.72 3gtl s PHE 360 CO 0.00 -1.24 0.71 1.28 -1.46 0.00 0.00 175.22 174.51 3gtl n LEU 361 N 7.43 -2.90 0.22 6.12 4.32 -1.26 -4.63 117.00 126.30 3gtl n LEU 361 Ca 0.13 -0.88 0.15 0.00 -0.02 0.00 0.00 56.01 55.39 3gtl n LEU 361 Cb 0.47 -2.23 0.76 0.00 -1.62 0.00 0.00 43.42 40.80 3gtl n LEU 361 CO 0.64 0.22 0.95 -0.65 -1.22 0.00 0.00 177.39 177.33 3gtl h PRO 362 N -1.13 0.00 -7.34 3.23 0.11 -1.85 -3.40 132.00 121.62 3gtl h PRO 362 Ca -0.55 0.00 -0.46 0.00 0.11 0.00 0.00 66.00 65.10 3gtl h PRO 362 Cb 1.32 0.00 0.09 0.00 0.11 0.00 0.00 31.00 32.51 3gtl h PRO 362 CO 0.42 0.00 0.24 -3.38 -0.21 0.00 0.00 178.00 175.07 3gtl s HIS 363 N -3.69 2.71 0.00 0.65 -3.43 -1.26 -3.89 115.29 106.38 3gtl s HIS 363 Ca -0.02 0.39 0.00 0.00 -0.80 0.00 0.00 55.06 54.63 3gtl s HIS 363 Cb 0.09 -3.27 0.00 0.00 -1.43 0.00 0.00 32.58 27.97 3gtl s HIS 363 CO 0.32 -1.55 0.00 -0.89 -2.00 0.00 0.00 174.74 170.62 3gtl n ILE 364 N -3.00 0.00 -3.63 -5.38 2.08 -1.26 -4.81 119.36 103.35 3gtl n ILE 364 Ca 0.09 0.00 -0.04 0.00 0.56 0.00 0.00 62.75 63.36 3gtl n ILE 364 Cb 0.60 0.00 -0.05 0.00 -0.75 0.00 0.00 39.64 39.44 3gtl n ILE 364 CO 0.00 0.00 0.00 0.28 0.56 0.00 0.00 176.55 177.39 3gtl s THR 365 N 0.00 0.00 -0.28 1.39 -1.32 -1.26 -5.04 115.64 109.13 3gtl s THR 365 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 3gtl s THR 365 Cb 0.00 -1.00 0.60 0.00 -1.51 0.00 0.00 72.50 70.59 3gtl s THR 365 CO 0.00 0.00 1.59 1.67 -2.21 0.00 0.00 174.62 175.67 3gtl n GLN 366 N 0.94 2.73 0.00 7.08 7.27 -1.25 -4.74 117.38 129.41 3gtl n GLN 366 Ca -0.05 -3.04 0.00 0.00 0.07 0.00 0.00 57.00 53.97 3gtl n GLN 366 Cb 0.58 -1.97 0.00 0.00 2.41 0.00 0.00 30.24 31.26 3gtl n GLN 366 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 3gtl n LEU 367 N -0.68 0.00 0.00 1.69 4.77 -1.26 -4.45 117.00 117.08 3gtl n LEU 367 Ca 0.35 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.33 3gtl n LEU 367 Cb 1.16 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 3gtl n LEU 367 CO 0.29 0.00 0.00 1.21 -1.33 0.00 0.00 177.39 177.56 3gtl n GLU 368 N 0.00 0.00 -2.37 3.23 2.13 -1.26 -4.85 120.64 117.52 3gtl n GLU 368 Ca 0.00 0.00 -0.40 0.00 0.66 0.00 0.00 57.16 57.42 3gtl n GLU 368 Cb 0.00 0.00 0.01 0.00 0.27 0.00 0.00 31.44 31.72 3gtl n GLU 368 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gtl n GLY 369 N 1.46 5.77 2.40 8.31 0.00 -1.26 -4.54 105.19 117.33 3gtl n GLY 369 Ca 0.00 -2.37 -0.25 0.00 0.00 0.00 0.00 46.02 43.40 3gtl n GLY 369 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gtl n PHE 370 N 0.61 1.93 0.30 1.61 3.01 -1.26 -4.97 117.46 118.69 3gtl n PHE 370 Ca 0.53 -3.89 0.12 0.00 1.01 0.00 0.00 57.45 55.22 3gtl n PHE 370 Cb 0.26 -0.46 0.16 0.00 -0.01 0.00 0.00 39.48 39.42 3gtl n PHE 370 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3gtl h GLU 371 N 3.74 0.00 -0.01 -1.08 3.07 -1.88 -3.30 114.58 115.11 3gtl h GLU 371 Ca 0.13 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.99 3gtl h GLU 371 Cb 0.75 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3gtl h GLU 371 CO 0.66 0.00 -0.50 -1.13 -1.40 0.00 0.00 179.01 176.64 3gtl n SER 372 N -2.71 1.53 0.23 1.42 3.41 -1.26 -3.39 113.62 112.84 3gtl n SER 372 Ca 0.03 -1.26 -0.13 0.00 -0.26 0.00 0.00 58.87 57.24 3gtl n SER 372 Cb 0.51 0.61 -0.07 0.00 -0.26 0.00 0.00 64.21 65.00 3gtl n SER 372 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gtl h ARG 373 N 1.49 -0.60 -0.89 4.33 2.47 -1.92 -2.36 114.38 116.91 3gtl h ARG 373 Ca 0.00 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 58.85 3gtl h ARG 373 Cb 0.57 0.14 -0.06 0.00 -1.65 0.00 0.00 29.97 28.96 3gtl h ARG 373 CO 0.00 -0.29 0.58 0.87 0.56 0.00 0.00 179.97 181.68 3gtl h LYS 374 N -0.97 0.89 -0.20 0.04 1.57 -1.73 -2.54 116.57 113.63 3gtl h LYS 374 Ca -0.06 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.52 3gtl h LYS 374 Cb 0.58 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3gtl h LYS 374 CO 0.10 0.59 -0.45 0.00 -0.57 0.00 0.00 179.45 179.12 3gtl h ALA 375 N 1.55 0.33 0.00 3.86 0.00 -1.60 0.41 119.26 123.81 3gtl h ALA 375 Ca 0.41 -0.47 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3gtl h ALA 375 Cb 0.37 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3gtl h ALA 375 CO -0.17 0.47 -0.21 0.74 0.00 0.00 0.00 179.25 180.07 3gtl h PHE 376 N 0.36 0.00 0.14 0.00 -1.00 -1.30 0.34 116.94 115.47 3gtl h PHE 376 Ca 0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3gtl h PHE 376 Cb 1.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.62 3gtl h PHE 376 CO 0.09 0.21 -0.07 0.35 -1.61 0.00 0.00 178.31 177.29 3gtl h PHE 377 N 0.00 -0.17 -0.88 -0.55 3.57 -1.25 0.31 116.94 117.98 3gtl h PHE 377 Ca -0.00 -0.00 0.25 0.00 3.53 0.00 0.00 57.97 61.75 3gtl h PHE 377 Cb 0.39 0.06 -0.04 0.00 2.79 0.00 0.00 35.95 39.15 3gtl h PHE 377 CO 0.00 -0.11 0.86 1.25 -2.23 0.00 0.00 178.31 178.08 3gtl h LEU 378 N -0.98 0.00 -0.12 0.59 5.85 -0.20 4.02 115.31 124.47 3gtl h LEU 378 Ca -0.02 0.00 -0.18 0.00 0.84 0.00 0.00 57.88 58.52 3gtl h LEU 378 Cb 0.14 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.18 3gtl h LEU 378 CO 0.03 0.00 -0.61 1.23 -0.34 0.00 0.00 178.44 178.75 3gtl h GLY 379 N 0.00 0.70 0.97 3.75 0.00 -0.86 -3.13 103.07 104.49 3gtl h GLY 379 Ca 0.42 -0.99 -0.10 0.00 0.00 0.00 0.00 47.33 46.66 3gtl h GLY 379 CO -0.00 0.88 -0.18 -1.82 0.00 0.00 0.00 176.54 175.41 3gtl h TYR 380 N 0.29 0.84 -0.99 5.60 3.20 1.14 -2.07 116.97 124.98 3gtl h TYR 380 Ca -0.04 -0.21 0.20 0.00 3.14 0.00 0.00 58.73 61.82 3gtl h TYR 380 Cb 1.25 -0.19 -0.11 0.00 1.54 0.00 0.00 36.73 39.22 3gtl h TYR 380 CO 0.10 0.94 0.59 0.52 -1.64 0.00 0.00 178.16 178.67 3gtl h MET 381 N 0.50 0.68 0.00 1.82 2.86 -0.55 -0.60 114.93 119.65 3gtl h MET 381 Ca 0.07 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 3gtl h MET 381 Cb 0.73 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 32.22 3gtl h MET 381 CO 0.05 0.45 -0.34 0.82 1.06 0.00 0.00 176.91 178.95 3gtl h ILE 382 N 0.70 0.70 -0.11 -1.22 1.08 -1.43 -2.33 117.51 114.92 3gtl h ILE 382 Ca 0.59 -1.58 -0.09 0.00 -0.39 0.00 0.00 64.86 63.39 3gtl h ILE 382 Cb 0.97 2.04 0.00 0.00 -3.07 0.00 0.00 36.82 36.77 3gtl h ILE 382 CO -0.41 0.34 -0.28 -1.13 -0.69 0.00 0.00 178.15 175.98 3gtl h ASN 383 N 0.00 0.43 -0.39 1.72 -1.24 -0.44 -3.22 115.58 112.45 3gtl h ASN 383 Ca -0.00 -0.59 0.05 0.00 0.71 0.00 0.00 56.30 56.47 3gtl h ASN 383 Cb 1.01 -0.13 -0.04 0.00 0.73 0.00 0.00 38.32 39.89 3gtl h ASN 383 CO 0.04 0.94 0.12 0.03 -1.29 0.00 0.00 177.43 177.28 3gtl h ARG 384 N -0.06 0.26 0.00 6.67 2.47 -1.23 -0.97 114.38 121.53 3gtl h ARG 384 Ca -0.00 -0.02 0.00 0.00 -1.26 0.00 0.00 59.98 58.70 3gtl h ARG 384 Cb 0.89 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.15 3gtl h ARG 384 CO 0.06 0.17 0.00 -0.11 0.56 0.00 0.00 179.97 180.66 3gtl n LEU 385 N -5.03 0.00 -0.20 3.04 7.94 -0.88 -2.80 117.00 119.07 3gtl n LEU 385 Ca 0.02 0.89 0.16 0.00 -1.11 0.00 0.00 56.01 55.97 3gtl n LEU 385 Cb 0.15 -0.39 0.49 0.00 0.53 0.00 0.00 43.42 44.20 3gtl n LEU 385 CO 0.26 -0.39 1.21 -0.07 -1.11 0.00 0.00 177.39 177.30 3gtl h LEU 386 N 0.00 0.43 -0.81 -1.96 3.38 -1.57 -1.16 115.31 113.62 3gtl h LEU 386 Ca 0.00 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3gtl h LEU 386 Cb 0.00 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3gtl h LEU 386 CO 0.00 0.21 0.00 -0.11 0.09 0.00 0.00 178.44 178.63 3gtl n LEU 387 N -4.50 0.30 0.00 1.67 7.94 -0.37 -1.26 117.00 120.79 3gtl n LEU 387 Ca 0.16 -0.15 0.00 0.00 -1.11 0.00 0.00 56.01 54.91 3gtl n LEU 387 Cb 0.56 -0.15 0.00 0.00 0.53 0.00 0.00 43.42 44.36 3gtl n LEU 387 CO 0.32 0.08 0.00 0.00 -1.11 0.00 0.00 177.39 176.67 3gtl n ALA 389 N -0.90 1.60 0.64 0.00 0.00 -1.00 -0.42 120.51 120.42 3gtl n ALA 389 Ca 0.00 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.65 3gtl n ALA 389 Cb 0.00 -1.38 0.25 0.00 0.00 0.00 0.00 19.45 18.32 3gtl n ALA 389 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3gtl n LEU 390 N -2.24 2.95 -3.80 0.00 4.77 -0.39 -4.97 117.00 113.32 3gtl n LEU 390 Ca 0.02 -1.23 -0.23 0.00 -0.03 0.00 0.00 56.01 54.54 3gtl n LEU 390 Cb 0.21 -0.18 0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3gtl n LEU 390 CO 0.19 0.61 -0.12 0.47 -1.33 0.00 0.00 177.39 177.21 3gtl n ASP 391 N 1.17 -1.01 -0.05 -1.43 9.92 0.43 -4.88 116.55 120.71 3gtl n ASP 391 Ca 0.18 -0.88 0.00 0.00 -0.53 0.00 0.00 54.79 53.56 3gtl n ASP 391 Cb 0.54 -3.70 -0.15 0.00 -0.64 0.00 0.00 41.12 37.17 3gtl n ASP 391 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gtl n ARG 392 N -4.33 0.84 -4.43 -1.24 1.74 -1.25 -5.01 116.66 102.98 3gtl n ARG 392 Ca -0.29 -0.09 -0.21 0.00 -0.77 0.00 0.00 57.85 56.49 3gtl n ARG 392 Cb 0.67 -1.46 -0.10 0.00 -1.02 0.00 0.00 32.46 30.56 3gtl n ARG 392 CO 0.00 0.00 0.00 0.21 -1.52 0.00 0.00 177.63 176.32 3gtl s LYS 393 N -2.87 1.69 0.61 5.56 2.47 -0.93 -5.01 119.74 121.25 3gtl s LYS 393 Ca -0.08 -1.97 0.00 0.00 -1.56 0.00 0.00 55.97 52.36 3gtl s LYS 393 Cb 0.09 -0.55 0.06 0.00 -1.46 0.00 0.00 37.83 35.96 3gtl s LYS 393 CO 0.77 -0.34 0.85 -0.51 0.16 0.00 0.00 175.35 176.28 3gtl s ASP 394 N -3.48 5.00 1.25 1.43 1.01 -1.26 -4.71 116.67 115.91 3gtl s ASP 394 Ca 0.32 -0.06 -0.20 0.00 0.71 0.00 0.00 52.55 53.32 3gtl s ASP 394 Cb 0.06 -0.67 0.30 0.00 1.01 0.00 0.00 42.92 43.62 3gtl s ASP 394 CO 0.15 -1.37 1.08 -1.58 0.21 0.00 0.00 175.17 173.66 3gtl s GLN 395 N -4.90 -1.57 -0.30 8.23 0.74 -1.26 -4.99 119.66 115.60 3gtl s GLN 395 Ca 0.60 -0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.86 3gtl s GLN 395 Cb -0.09 -1.55 -0.03 0.00 1.10 0.00 0.00 33.01 32.43 3gtl s GLN 395 CO 0.40 -3.95 0.19 -0.51 -0.55 0.00 0.00 175.29 170.88 3gtl s ASP 396 N -3.77 5.88 -0.42 6.67 1.01 -1.11 -4.99 116.67 119.95 3gtl s ASP 396 Ca 0.71 -0.23 -0.28 0.00 0.71 0.00 0.00 52.55 53.46 3gtl s ASP 396 Cb -0.10 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.72 3gtl s ASP 396 CO 0.56 -0.13 1.82 -0.62 0.21 0.00 0.00 175.17 177.01 3gtl s ASP 397 N 1.71 5.69 0.00 0.27 -1.08 -1.26 -4.85 116.67 117.16 3gtl s ASP 397 Ca 0.06 1.01 0.15 0.00 -0.52 0.00 0.00 52.55 53.26 3gtl s ASP 397 Cb -0.16 -2.53 0.77 0.00 -1.46 0.00 0.00 42.92 39.54 3gtl s ASP 397 CO 0.09 -1.92 1.52 0.54 0.52 0.00 0.00 175.17 175.92 3gtl n ARG 398 N 8.64 1.23 -0.87 4.34 1.74 -1.26 -3.21 116.66 127.27 3gtl n ARG 398 Ca 0.22 -0.35 -0.04 0.00 -0.77 0.00 0.00 57.85 56.92 3gtl n ARG 398 Cb 0.49 -1.26 0.18 0.00 -1.02 0.00 0.00 32.46 30.85 3gtl n ARG 398 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3gtl n ASP 399 N -0.39 2.55 -4.52 0.55 8.00 -1.26 -4.89 116.55 116.60 3gtl n ASP 399 Ca 0.12 -3.83 -0.40 0.00 0.71 0.00 0.00 54.79 51.39 3gtl n ASP 399 Cb 0.13 -0.59 -0.11 0.00 -0.02 0.00 0.00 41.12 40.53 3gtl n ASP 399 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3gtl s HIS 400 N -3.30 3.22 0.54 1.24 2.46 -1.20 -4.86 115.29 113.40 3gtl s HIS 400 Ca 0.44 -0.27 0.34 0.00 0.47 0.00 0.00 55.06 56.04 3gtl s HIS 400 Cb 0.40 -2.46 1.90 0.00 -0.13 0.00 0.00 32.58 32.30 3gtl s HIS 400 CO -0.02 -0.37 2.23 0.35 -2.47 0.00 0.00 174.74 174.46 3gtl h PHE 401 N 8.47 0.00 -0.09 3.88 3.57 -1.93 -0.08 116.94 130.76 3gtl h PHE 401 Ca -0.31 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.19 3gtl h PHE 401 Cb 1.16 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.90 3gtl h PHE 401 CO 0.66 0.03 0.00 0.41 -2.23 0.00 0.00 178.31 177.18 3gtl n GLY 402 N -0.99 0.17 1.59 2.40 0.00 -1.26 -3.48 105.19 103.61 3gtl n GLY 402 Ca -0.02 -0.11 0.01 0.00 0.00 0.00 0.00 46.02 45.90 3gtl n GLY 402 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gtl n LYS 403 N -0.12 0.97 -3.77 1.61 5.02 -0.04 -4.32 118.16 117.51 3gtl n LYS 403 Ca 0.03 -2.75 -0.10 0.00 -2.02 0.00 0.00 58.31 53.48 3gtl n LYS 403 Cb 0.18 -0.85 -0.05 0.00 -0.02 0.00 0.00 35.03 34.29 3gtl n LYS 403 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3gtl s LYS 404 N -1.72 1.24 0.15 1.97 -2.85 -1.23 -2.01 119.74 115.29 3gtl s LYS 404 Ca 0.35 -0.90 0.03 0.00 -1.00 0.00 0.00 55.97 54.45 3gtl s LYS 404 Cb 0.37 0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 36.57 3gtl s LYS 404 CO -0.11 -0.50 -0.06 1.03 0.10 0.00 0.00 175.35 175.82 3gtl s ARG 405 N -3.88 1.03 -0.19 1.78 1.81 -0.02 -4.71 118.95 114.78 3gtl s ARG 405 Ca 0.09 -1.46 -0.02 0.00 -1.72 0.00 0.00 55.73 52.62 3gtl s ARG 405 Cb 0.01 -0.41 -0.01 0.00 -0.45 0.00 0.00 34.95 34.10 3gtl s ARG 405 CO -0.05 -0.02 -0.09 -0.51 -0.68 0.00 0.00 175.30 173.95 3gtl s LEU 406 N -3.15 2.71 -1.08 2.53 1.43 -0.82 -1.42 118.68 118.89 3gtl s LEU 406 Ca 0.18 -0.42 -0.22 0.00 -1.03 0.00 0.00 54.13 52.65 3gtl s LEU 406 Cb 0.05 -1.66 0.06 0.00 0.03 0.00 0.00 46.19 44.66 3gtl s LEU 406 CO 0.01 0.03 1.50 -1.81 0.23 0.00 0.00 176.35 176.31 3gtl s ASP 407 N 1.14 6.59 1.14 2.29 1.01 0.80 -4.62 116.67 125.02 3gtl s ASP 407 Ca 0.01 -1.71 -0.15 0.00 0.71 0.00 0.00 52.55 51.42 3gtl s ASP 407 Cb -0.14 -2.56 0.21 0.00 1.01 0.00 0.00 42.92 41.44 3gtl s ASP 407 CO -0.03 -1.41 0.86 0.18 0.21 0.00 0.00 175.17 174.98 3gtl n LEU 408 N 8.66 0.00 -0.34 1.23 7.99 -1.26 -2.55 117.00 130.72 3gtl n LEU 408 Ca 0.36 -0.92 0.12 0.00 -0.01 0.00 0.00 56.01 55.57 3gtl n LEU 408 Cb 0.50 -0.75 0.33 0.00 -0.11 0.00 0.00 43.42 43.38 3gtl n LEU 408 CO 0.68 -1.72 1.21 0.00 -1.51 0.00 0.00 177.39 176.05 3gtl h ALA 409 N -2.39 1.71 -3.00 -1.18 0.00 -1.87 -2.56 119.26 109.96 3gtl h ALA 409 Ca -0.31 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.65 3gtl h ALA 409 Cb 0.92 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.60 3gtl h ALA 409 CO 0.21 -0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.84 3gtl n GLY 410 N -1.36 -2.09 0.00 0.00 0.00 -1.26 -2.68 105.19 97.80 3gtl n GLY 410 Ca 0.21 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.24 3gtl n GLY 410 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gtl n PRO 411 N -0.03 0.00 0.01 1.61 -0.02 -1.23 0.94 135.00 136.28 3gtl n PRO 411 Ca 0.00 0.03 -0.01 0.00 -2.02 0.00 0.00 63.50 61.50 3gtl n PRO 411 Cb 0.00 -1.54 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 3gtl n PRO 411 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3gtl h LEU 412 N 0.00 -0.03 -1.47 2.45 -0.00 -1.47 -3.30 115.31 111.48 3gtl h LEU 412 Ca 0.00 0.00 0.33 0.00 -0.00 0.00 0.00 57.88 58.22 3gtl h LEU 412 Cb 0.07 0.01 -0.10 0.00 -0.00 0.00 0.00 40.66 40.65 3gtl h LEU 412 CO 0.00 0.06 0.76 -0.07 -0.00 0.00 0.00 178.44 179.19 3gtl h LEU 413 N -0.20 0.32 -0.14 1.67 3.38 0.80 -0.77 115.31 120.36 3gtl h LEU 413 Ca -0.00 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3gtl h LEU 413 Cb 0.03 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 3gtl h LEU 413 CO 0.01 -0.01 -0.14 0.00 0.09 0.00 0.00 178.44 178.38 3gtl h ALA 414 N 1.57 -0.05 0.00 1.53 0.00 -1.40 0.94 119.26 121.85 3gtl h ALA 414 Ca 0.67 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.54 3gtl h ALA 414 Cb 1.98 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 20.05 3gtl h ALA 414 CO -0.29 -0.59 -0.43 -0.56 0.00 0.00 0.00 179.25 177.38 3gtl h GLN 415 N -0.17 0.00 0.15 0.00 3.07 -1.22 -1.45 115.11 115.49 3gtl h GLN 415 Ca 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.83 3gtl h GLN 415 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.87 3gtl h GLN 415 CO -0.24 0.43 -0.07 1.25 0.09 0.00 0.00 178.83 180.28 3gtl h LEU 416 N 0.00 -0.17 -0.28 0.06 5.85 -1.09 -3.06 115.31 116.62 3gtl h LEU 416 Ca -0.00 -0.33 0.04 0.00 0.84 0.00 0.00 57.88 58.42 3gtl h LEU 416 Cb 1.05 0.04 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3gtl h LEU 416 CO 0.06 0.28 0.04 0.15 -0.34 0.00 0.00 178.44 178.63 3gtl h PHE 417 N -0.67 0.05 -0.05 1.25 3.57 0.11 -0.97 116.94 120.24 3gtl h PHE 417 Ca -0.02 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gtl h PHE 417 Cb 0.49 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3gtl h PHE 417 CO 0.06 -0.00 -0.03 1.63 -2.23 0.00 0.00 178.31 177.74 3gtl n LYS 418 N -5.11 -0.02 -0.16 1.11 5.02 -0.57 -0.35 118.16 118.07 3gtl n LYS 418 Ca -0.00 0.90 -0.04 0.00 -2.02 0.00 0.00 58.31 57.15 3gtl n LYS 418 Cb 0.13 -1.35 0.05 0.00 -0.02 0.00 0.00 35.03 33.85 3gtl n LYS 418 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3gtl h THR 419 N 0.00 0.93 -0.22 -0.18 2.02 -1.11 -1.22 112.91 113.13 3gtl h THR 419 Ca 0.01 -0.16 -0.03 0.00 0.77 0.00 0.00 66.41 67.00 3gtl h THR 419 Cb 0.02 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3gtl h THR 419 CO -0.05 0.08 0.04 -0.07 0.37 0.00 0.00 175.52 175.89 3gtl h LEU 420 N 0.46 0.35 -0.08 2.58 3.38 -1.05 -3.03 115.31 117.92 3gtl h LEU 420 Ca 0.23 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.98 3gtl h LEU 420 Cb 0.16 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 3gtl h LEU 420 CO -0.18 0.51 -0.20 0.15 0.09 0.00 0.00 178.44 178.82 3gtl h PHE 421 N 0.16 -0.52 0.00 1.13 3.57 -0.10 0.30 116.94 121.48 3gtl h PHE 421 Ca 0.07 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.59 3gtl h PHE 421 Cb 0.31 0.24 0.00 0.00 2.79 0.00 0.00 35.95 39.30 3gtl h PHE 421 CO 0.02 -0.28 0.00 1.63 -2.23 0.00 0.00 178.31 177.45 3gtl n LYS 422 N -5.33 0.46 -0.07 1.11 5.02 -0.51 -0.05 118.16 118.79 3gtl n LYS 422 Ca -0.04 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.17 3gtl n LYS 422 Cb 0.25 -1.15 -0.08 0.00 -0.02 0.00 0.00 35.03 34.03 3gtl n LYS 422 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3gtl n LYS 423 N 0.01 1.11 0.13 1.97 4.81 0.10 -4.25 118.16 122.04 3gtl n LYS 423 Ca 0.00 0.05 0.04 0.00 -0.87 0.00 0.00 58.31 57.53 3gtl n LYS 423 Cb 0.08 -1.30 0.03 0.00 0.02 0.00 0.00 35.03 33.86 3gtl n LYS 423 CO 0.00 0.00 0.00 1.37 1.17 0.00 0.00 177.40 179.94 3gtl h LEU 424 N 0.00 0.00 -1.26 3.14 -0.00 -0.96 -2.85 115.31 113.38 3gtl h LEU 424 Ca -0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.56 3gtl h LEU 424 Cb 1.60 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 42.22 3gtl h LEU 424 CO -0.02 0.41 0.43 0.00 -0.00 0.00 0.00 178.44 179.26 3gtl h THR 425 N 0.00 1.19 -0.03 0.15 1.03 -0.70 -2.86 112.91 111.70 3gtl h THR 425 Ca -0.03 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 65.97 3gtl h THR 425 Cb 1.34 0.20 0.00 0.00 -1.07 0.00 0.00 68.15 68.62 3gtl h THR 425 CO 0.05 0.19 -0.06 2.29 -0.01 0.00 0.00 175.52 177.98 3gtl n LYS 426 N -4.41 2.14 0.08 0.00 2.85 -1.23 -3.74 118.16 113.86 3gtl n LYS 426 Ca 0.07 -1.79 -0.03 0.00 -1.05 0.00 0.00 58.31 55.52 3gtl n LYS 426 Cb 0.06 -1.45 -0.06 0.00 -0.65 0.00 0.00 35.03 32.93 3gtl n LYS 426 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3gtl h ASP 427 N 4.34 0.00 -0.35 -5.58 3.32 -1.33 -3.30 116.42 113.52 3gtl h ASP 427 Ca 0.00 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.98 3gtl h ASP 427 Cb 0.95 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3gtl h ASP 427 CO 0.00 0.76 -0.04 0.40 -1.72 0.00 0.00 179.24 178.64 3gtl h ILE 428 N 0.00 1.27 -0.76 0.35 1.08 -1.59 0.04 117.51 117.89 3gtl h ILE 428 Ca -0.04 -1.06 0.17 0.00 -0.39 0.00 0.00 64.86 63.55 3gtl h ILE 428 Cb 1.62 1.24 -0.13 0.00 -3.07 0.00 0.00 36.82 36.48 3gtl h ILE 428 CO 0.09 0.35 0.08 0.15 -0.69 0.00 0.00 178.15 178.13 3gtl h PHE 429 N 0.45 0.08 0.00 1.37 3.57 -1.66 -1.64 116.94 119.11 3gtl h PHE 429 Ca 0.10 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.65 3gtl h PHE 429 Cb 0.52 0.08 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3gtl h PHE 429 CO 0.04 -0.20 -0.49 0.54 -2.23 0.00 0.00 178.31 175.98 3gtl n ARG 430 N -5.28 0.28 0.18 1.11 1.74 -1.07 -2.19 116.66 111.43 3gtl n ARG 430 Ca 0.14 0.11 0.04 0.00 -0.77 0.00 0.00 57.85 57.37 3gtl n ARG 430 Cb 0.49 -1.71 0.34 0.00 -1.02 0.00 0.00 32.46 30.56 3gtl n ARG 430 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3gtl h TYR 431 N 0.00 0.00 0.18 -1.55 3.20 -0.10 -2.99 116.97 115.71 3gtl h TYR 431 Ca 0.00 0.00 -0.27 0.00 3.14 0.00 0.00 58.73 61.60 3gtl h TYR 431 Cb 0.74 0.00 0.02 0.00 1.54 0.00 0.00 36.73 39.03 3gtl h TYR 431 CO 0.00 0.41 -1.22 0.52 -1.64 0.00 0.00 178.16 176.23 3gtl h MET 432 N 0.00 0.38 -0.09 1.82 2.86 -1.15 -3.16 114.93 115.59 3gtl h MET 432 Ca -0.00 -0.65 -0.06 0.00 -2.06 0.00 0.00 59.70 56.93 3gtl h MET 432 Cb 0.82 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.71 3gtl h MET 432 CO 0.05 1.31 -0.22 1.96 1.06 0.00 0.00 176.91 181.08 3gtl h GLN 433 N -0.15 0.15 -1.03 1.72 4.20 -1.52 -1.01 115.11 117.47 3gtl h GLN 433 Ca -0.23 -0.04 -0.47 0.00 0.06 0.00 0.00 58.65 57.97 3gtl h GLN 433 Cb 1.88 -0.02 -0.26 0.00 0.30 0.00 0.00 27.48 29.38 3gtl h GLN 433 CO 0.18 0.37 0.60 0.54 -0.67 0.00 0.00 178.83 179.85 3gtl n ARG 434 N -4.22 2.13 -0.02 1.46 1.74 -1.13 -3.61 116.66 113.01 3gtl n ARG 434 Ca -0.01 -2.59 -0.02 0.00 -0.77 0.00 0.00 57.85 54.45 3gtl n ARG 434 Cb 0.31 -2.02 -0.02 0.00 -1.02 0.00 0.00 32.46 29.72 3gtl n ARG 434 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3gtl n THR 435 N -0.82 0.20 0.00 0.55 -1.04 -0.43 -4.97 114.28 107.77 3gtl n THR 435 Ca 0.51 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 3gtl n THR 435 Cb 1.32 -0.63 0.00 0.00 -1.82 0.00 0.00 70.33 69.20 3gtl n THR 435 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3gtl n VAL 436 N -2.59 0.00 0.00 12.58 0.24 -0.95 -5.11 118.33 122.49 3gtl n VAL 436 Ca -0.06 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 3gtl n VAL 436 Cb 0.57 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.94 3gtl n VAL 436 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3gtl n GLU 437 N 0.00 0.00 0.00 7.34 1.02 -1.26 -5.11 120.64 122.63 3gtl n GLU 437 Ca 0.00 0.22 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 3gtl n GLU 437 Cb 0.00 -1.22 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3gtl n GLU 437 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 3gtl n LEU 446 N -1.17 0.00 0.00 -4.62 7.94 -1.26 -5.17 117.00 112.73 3gtl n LEU 446 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3gtl n LEU 446 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3gtl n LEU 446 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 176.28 3gtl n ALA 447 N 0.00 0.00 -2.25 1.96 0.00 -1.26 -4.92 120.51 114.04 3gtl n ALA 447 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 3gtl n ALA 447 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3gtl n ALA 447 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtl s ILE 448 N 0.00 3.90 -0.98 0.00 -1.09 -1.26 -4.78 121.20 116.99 3gtl s ILE 448 Ca 0.00 1.18 -0.03 0.00 -2.23 0.00 0.00 60.65 59.57 3gtl s ILE 448 Cb 0.00 -3.76 0.27 0.00 -1.58 0.00 0.00 42.46 37.39 3gtl s ILE 448 CO 0.00 -0.06 1.14 -3.20 -1.23 0.00 0.00 174.94 171.59 3gtl n ASN 449 N 6.16 5.33 -0.29 3.58 2.85 -1.26 -4.92 115.26 126.71 3gtl n ASN 449 Ca 0.14 -3.29 0.09 0.00 -0.11 0.00 0.00 54.58 51.41 3gtl n ASN 449 Cb 0.44 -1.14 0.24 0.00 1.24 0.00 0.00 39.78 40.56 3gtl n ASN 449 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtl h ALA 450 N 5.58 1.26 0.00 5.20 0.00 -1.93 0.15 119.26 129.52 3gtl h ALA 450 Ca 0.19 0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.22 3gtl h ALA 450 Cb 0.71 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gtl h ALA 450 CO 1.09 -0.22 0.40 1.17 0.00 0.00 0.00 179.25 181.68 3gtl n LYS 451 N -4.98 0.05 0.04 0.00 0.00 -1.26 -1.33 118.16 110.68 3gtl n LYS 451 Ca 0.18 0.43 -0.02 0.00 0.00 0.00 0.00 58.31 58.91 3gtl n LYS 451 Cb 0.51 -2.04 -0.01 0.00 0.00 0.00 0.00 35.03 33.49 3gtl n LYS 451 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 3gtl h THR 452 N 0.00 0.00 0.51 3.15 2.02 -1.10 -2.21 112.91 115.29 3gtl h THR 452 Ca 0.00 -0.02 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 3gtl h THR 452 Cb 0.79 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 3gtl h THR 452 CO 0.00 0.00 -0.33 0.40 0.37 0.00 0.00 175.52 175.96 3gtl h ILE 453 N -0.12 0.32 -0.65 3.11 2.04 -1.65 -2.73 117.51 117.83 3gtl h ILE 453 Ca -0.01 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.93 3gtl h ILE 453 Cb 0.08 0.32 -0.09 0.00 -0.74 0.00 0.00 36.82 36.39 3gtl h ILE 453 CO 0.02 0.00 -0.31 0.41 0.00 0.00 0.00 178.15 178.26 3gtl n THR 454 N -5.46 -0.39 -0.83 -0.27 -1.04 -0.44 -0.17 114.28 105.67 3gtl n THR 454 Ca -0.12 1.55 0.08 0.00 -2.04 0.00 0.00 64.05 63.52 3gtl n THR 454 Cb 0.36 -1.98 0.35 0.00 -1.82 0.00 0.00 70.33 67.24 3gtl n THR 454 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3gtl n SER 455 N -4.89 4.95 -0.00 8.00 3.41 -0.83 -3.32 113.62 120.94 3gtl n SER 455 Ca 0.04 -2.80 0.05 0.00 -0.26 0.00 0.00 58.87 55.91 3gtl n SER 455 Cb 0.22 -0.61 -0.08 0.00 -0.26 0.00 0.00 64.21 63.48 3gtl n SER 455 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtl n GLY 456 N 0.47 -0.38 0.08 5.00 0.00 0.75 -3.68 105.19 107.44 3gtl n GLY 456 Ca 0.25 -0.26 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 3gtl n GLY 456 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtl n LEU 457 N -1.74 0.58 0.13 0.99 4.77 -0.79 -3.89 117.00 117.06 3gtl n LEU 457 Ca -0.01 0.26 0.13 0.00 -0.03 0.00 0.00 56.01 56.35 3gtl n LEU 457 Cb 0.25 0.17 0.45 0.00 -2.33 0.00 0.00 43.42 41.97 3gtl n LEU 457 CO 0.22 0.24 0.88 0.11 -1.33 0.00 0.00 177.39 177.51 3gtl h LYS 458 N 0.00 0.00 0.01 3.23 1.57 -1.73 -2.05 116.57 117.60 3gtl h LYS 458 Ca -0.25 0.00 -0.27 0.00 -1.87 0.00 0.00 60.65 58.26 3gtl h LYS 458 Cb 1.73 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 34.00 3gtl h LYS 458 CO 0.04 0.00 -1.50 0.98 -0.57 0.00 0.00 179.45 178.40 3gtl n TYR 459 N -2.34 0.90 -0.01 -1.35 -0.00 -1.24 -2.74 117.16 110.37 3gtl n TYR 459 Ca 0.04 0.37 -0.10 0.00 -0.00 0.00 0.00 57.90 58.20 3gtl n TYR 459 Cb 0.34 -1.09 -0.04 0.00 -0.00 0.00 0.00 39.34 38.54 3gtl n TYR 459 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 3gtl h ALA 460 N -0.51 0.09 0.00 2.98 0.00 -1.67 0.74 119.26 120.89 3gtl h ALA 460 Ca -0.40 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.46 3gtl h ALA 460 Cb 1.41 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3gtl h ALA 460 CO -0.22 -0.48 -0.41 1.25 0.00 0.00 0.00 179.25 179.40 3gtl h LEU 461 N 0.01 0.00 -0.55 0.00 5.85 -1.56 -0.31 115.31 118.75 3gtl h LEU 461 Ca 0.06 0.00 -0.16 0.00 0.84 0.00 0.00 57.88 58.62 3gtl h LEU 461 Cb 0.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3gtl h LEU 461 CO -0.11 0.41 -0.61 0.00 -0.34 0.00 0.00 178.44 177.79 3gtl h ALA 462 N 1.59 0.74 0.00 1.25 0.00 -1.24 -3.41 119.26 118.18 3gtl h ALA 462 Ca -0.00 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.22 3gtl h ALA 462 Cb 0.90 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3gtl h ALA 462 CO 0.05 0.72 -1.29 0.25 0.00 0.00 0.00 179.25 178.98 3gtl n THR 463 N -3.90 1.16 0.00 0.00 -2.24 0.21 -5.02 114.28 104.48 3gtl n THR 463 Ca -0.03 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 3gtl n THR 463 Cb 0.63 -1.89 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 3gtl n THR 463 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gtl n GLY 464 N 2.10 1.69 2.86 3.38 0.00 -0.15 -4.72 105.19 110.35 3gtl n GLY 464 Ca -0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 3gtl n GLY 464 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtl n ASN 465 N 0.00 3.76 -3.39 1.61 3.02 -1.24 -3.56 115.26 115.45 3gtl n ASN 465 Ca 0.00 -2.59 -0.15 0.00 -0.03 0.00 0.00 54.58 51.81 3gtl n ASN 465 Cb 0.00 -1.21 -0.04 0.00 -0.61 0.00 0.00 39.78 37.92 3gtl n ASN 465 CO 0.00 0.00 0.00 1.87 -2.62 0.00 0.00 177.26 176.51 3gtl n TRP 466 N 6.12 0.00 0.00 3.10 -0.00 -1.24 -3.40 117.44 122.02 3gtl n TRP 466 Ca 0.50 -0.34 0.00 0.00 -0.00 0.00 0.00 57.50 57.66 3gtl n TRP 466 Cb 0.31 -0.56 0.00 0.00 -0.00 0.00 0.00 31.31 31.06 3gtl n TRP 466 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtl n GLY 467 N 4.00 0.10 0.00 5.87 0.00 -1.26 -4.81 105.19 109.09 3gtl n GLY 467 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gtl n GLY 467 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3gtl n GLU 468 N -0.76 0.00 -0.03 1.61 2.13 -1.22 -4.74 120.64 117.64 3gtl n GLU 468 Ca 0.00 0.00 0.10 0.00 0.66 0.00 0.00 57.16 57.92 3gtl n GLU 468 Cb 0.00 0.00 0.10 0.00 0.27 0.00 0.00 31.44 31.81 3gtl n GLU 468 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gtl n GLN 469 N 0.00 1.84 -0.11 5.31 -0.00 -1.26 -4.58 117.38 118.57 3gtl n GLN 469 Ca 0.00 -1.75 -0.16 0.00 -0.00 0.00 0.00 57.00 55.09 3gtl n GLN 469 Cb 0.00 -1.39 -0.11 0.00 -0.00 0.00 0.00 30.24 28.74 3gtl n GLN 469 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.06 178.69 3gtl n LYS 470 N 1.13 0.59 0.00 2.61 5.02 -1.26 -4.98 118.16 121.27 3gtl n LYS 470 Ca 0.12 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.54 3gtl n LYS 470 Cb 0.50 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 34.05 3gtl n LYS 470 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 3gtl n LYS 471 N -3.16 0.00 0.32 1.97 -0.00 -1.26 -4.57 118.16 111.46 3gtl n LYS 471 Ca -0.41 0.00 0.18 0.00 -0.00 0.00 0.00 58.31 58.09 3gtl n LYS 471 Cb 0.94 -1.66 0.97 0.00 -0.00 0.00 0.00 35.03 35.28 3gtl n LYS 471 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3gtl h ALA 472 N 0.00 1.27 -1.70 0.58 0.00 -1.98 -3.35 119.26 114.08 3gtl h ALA 472 Ca 0.00 -0.00 -0.50 0.00 0.00 0.00 0.00 54.91 54.41 3gtl h ALA 472 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gtl h ALA 472 CO 0.00 -0.21 1.56 1.41 0.00 0.00 0.00 179.25 182.00 3gtl s MET 473 N -4.17 2.44 0.00 0.00 -2.45 -1.26 -4.85 119.30 109.01 3gtl s MET 473 Ca -0.04 1.47 0.01 0.00 -1.25 0.00 0.00 55.69 55.88 3gtl s MET 473 Cb 0.11 -4.50 0.07 0.00 1.25 0.00 0.00 34.83 31.77 3gtl s MET 473 CO 0.35 -2.89 0.33 -1.13 1.05 0.00 0.00 175.02 172.73 3gtl n SER 474 N 14.38 0.00 0.00 1.11 3.41 -1.26 -2.74 113.62 128.52 3gtl n SER 474 Ca 0.33 -0.15 0.12 0.00 -0.26 0.00 0.00 58.87 58.92 3gtl n SER 474 Cb 0.52 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 65.16 3gtl n SER 474 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gtl n SER 475 N -0.71 0.00 0.19 4.04 3.41 -1.26 -3.14 113.62 116.14 3gtl n SER 475 Ca 0.01 -0.54 0.14 0.00 -0.26 0.00 0.00 58.87 58.22 3gtl n SER 475 Cb 0.00 -0.09 0.62 0.00 -0.26 0.00 0.00 64.21 64.48 3gtl n SER 475 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3gtl h ARG 476 N 0.00 0.00 0.00 4.33 -0.00 -1.56 -3.28 114.38 113.86 3gtl h ARG 476 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 3gtl h ARG 476 Cb 0.07 0.00 0.00 0.00 0.00 0.00 0.00 29.97 30.04 3gtl h ARG 476 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179.97 179.97 3gtl n ALA 477 N -1.87 0.00 -2.00 0.04 0.00 -1.19 -3.71 120.51 111.79 3gtl n ALA 477 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3gtl n ALA 477 Cb 0.19 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3gtl n ALA 477 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtl n GLY 478 N -0.05 0.71 3.04 0.00 0.00 -1.26 -4.88 105.19 102.75 3gtl n GLY 478 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 3gtl n GLY 478 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtl n VAL 479 N 0.00 0.00 -2.55 1.61 0.31 -1.26 -4.37 118.33 112.07 3gtl n VAL 479 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 64.34 64.32 3gtl n VAL 479 Cb 0.00 -0.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.70 3gtl n VAL 479 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 3gtl n SER 480 N -1.27 -0.36 -4.03 4.52 2.88 -1.24 -4.59 113.62 109.53 3gtl n SER 480 Ca 0.06 -1.22 -0.30 0.00 -1.33 0.00 0.00 58.87 56.08 3gtl n SER 480 Cb 0.31 0.29 0.22 0.00 -0.75 0.00 0.00 64.21 64.28 3gtl n SER 480 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 3gtl s GLN 481 N 0.01 -0.60 -0.86 -1.46 -1.52 -1.17 -4.37 119.66 109.69 3gtl s GLN 481 Ca 0.01 -0.03 0.01 0.00 -1.95 0.00 0.00 55.36 53.40 3gtl s GLN 481 Cb 0.04 -1.67 0.32 0.00 -0.22 0.00 0.00 33.01 31.48 3gtl s GLN 481 CO -0.01 -3.31 1.42 0.28 -0.25 0.00 0.00 175.29 173.42 3gtl n VAL 482 N -4.48 4.75 0.00 1.09 0.31 -1.26 -3.31 118.33 115.43 3gtl n VAL 482 Ca 0.12 -5.79 0.00 0.00 -0.01 0.00 0.00 64.34 58.66 3gtl n VAL 482 Cb 0.59 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3gtl n VAL 482 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3gtl n LEU 483 N 0.13 0.00 0.00 7.52 0.00 -1.22 -4.78 117.00 118.64 3gtl n LEU 483 Ca 0.38 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.39 3gtl n LEU 483 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.74 3gtl n LEU 483 CO 0.48 0.00 0.00 -3.20 0.00 0.00 0.00 177.39 174.67 3gtl n ASN 484 N -0.24 0.00 -2.78 1.96 5.15 -1.26 -4.94 115.26 113.15 3gtl n ASN 484 Ca 0.00 0.00 -0.28 0.00 -0.60 0.00 0.00 54.58 53.70 3gtl n ASN 484 Cb 0.00 0.00 -0.02 0.00 -0.53 0.00 0.00 39.78 39.23 3gtl n ASN 484 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3gtl n ARG 485 N 0.00 3.37 -0.07 1.20 1.74 -1.26 -2.89 116.66 118.76 3gtl n ARG 485 Ca 0.00 -4.70 -0.19 0.00 -0.77 0.00 0.00 57.85 52.19 3gtl n ARG 485 Cb 0.00 -2.25 -0.13 0.00 -1.02 0.00 0.00 32.46 29.06 3gtl n ARG 485 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 3gtl h TYR 486 N 2.86 0.10 -2.43 -1.55 3.20 -1.93 -3.47 116.97 113.76 3gtl h TYR 486 Ca 0.21 -0.08 -0.53 0.00 3.14 0.00 0.00 58.73 61.48 3gtl h TYR 486 Cb 0.65 -0.00 -0.14 0.00 1.54 0.00 0.00 36.73 38.77 3gtl h TYR 486 CO 0.85 1.33 -0.64 0.99 -1.64 0.00 0.00 178.16 179.06 3gtl s THR 487 N -2.34 1.62 0.11 1.81 2.01 -1.26 -4.37 115.64 113.22 3gtl s THR 487 Ca -0.23 -2.06 -0.12 0.00 0.31 0.00 0.00 61.69 59.59 3gtl s THR 487 Cb 0.02 -2.71 -0.15 0.00 0.01 0.00 0.00 72.50 69.68 3gtl s THR 487 CO 0.67 -0.12 1.32 0.22 -0.69 0.00 0.00 174.62 176.02 3gtl h TYR 488 N 2.08 1.05 0.00 4.92 3.20 -1.72 -2.12 116.97 124.39 3gtl h TYR 488 Ca -0.41 -0.45 0.00 0.00 3.14 0.00 0.00 58.73 61.00 3gtl h TYR 488 Cb 1.24 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 39.35 3gtl h TYR 488 CO 0.66 1.28 0.00 -1.13 -1.64 0.00 0.00 178.16 177.34 3gtl n SER 489 N -3.93 0.00 0.19 -2.11 3.41 -1.26 -2.60 113.62 107.31 3gtl n SER 489 Ca -0.07 0.05 -0.08 0.00 -0.26 0.00 0.00 58.87 58.52 3gtl n SER 489 Cb 0.74 -0.34 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 3gtl n SER 489 CO 0.00 0.00 0.00 -1.28 -0.16 0.00 0.00 175.04 173.60 3gtl h SER 490 N 0.00 -0.43 -0.98 4.04 0.87 -1.76 -2.99 113.55 112.30 3gtl h SER 490 Ca 0.00 0.01 0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3gtl h SER 490 Cb 0.32 0.11 -0.14 0.00 -0.44 0.00 0.00 62.40 62.25 3gtl h SER 490 CO 0.00 -0.18 -0.49 0.74 -0.53 0.00 0.00 176.83 176.37 3gtl h THR 491 N -0.74 0.00 -0.94 2.23 2.02 -1.25 0.38 112.91 114.60 3gtl h THR 491 Ca -0.05 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.32 3gtl h THR 491 Cb 0.39 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.72 3gtl h THR 491 CO 0.08 0.00 0.61 -0.07 0.37 0.00 0.00 175.52 176.51 3gtl h LEU 492 N -0.01 0.57 -0.89 2.58 3.38 -1.65 -1.97 115.31 117.33 3gtl h LEU 492 Ca 0.25 0.06 -0.11 0.00 0.09 0.00 0.00 57.88 58.17 3gtl h LEU 492 Cb 0.51 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gtl h LEU 492 CO -0.96 0.23 -0.42 -1.28 0.09 0.00 0.00 178.44 176.10 3gtl h SER 493 N 0.57 0.30 0.63 -0.43 0.87 -0.12 -3.26 113.55 112.11 3gtl h SER 493 Ca 0.51 -0.13 -0.28 0.00 -1.23 0.00 0.00 61.79 60.66 3gtl h SER 493 Cb 1.03 -0.08 0.00 0.00 -0.44 0.00 0.00 62.40 62.91 3gtl h SER 493 CO -0.25 0.69 -1.27 -0.74 -0.53 0.00 0.00 176.83 174.73 3gtl h HIS 494 N 0.24 0.46 0.00 2.24 -0.00 -0.61 -3.21 115.15 114.27 3gtl h HIS 494 Ca 0.02 -0.34 -0.02 0.00 -0.00 0.00 0.00 60.37 60.03 3gtl h HIS 494 Cb 0.84 -0.02 -0.00 0.00 -0.00 0.00 0.00 27.41 28.23 3gtl h HIS 494 CO 0.02 1.28 -0.11 -0.07 -0.00 0.00 0.00 177.93 179.04 3gtl h LEU 495 N 0.07 0.00 -3.92 0.26 3.38 -1.58 -2.95 115.31 110.56 3gtl h LEU 495 Ca -0.14 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.23 3gtl h LEU 495 Cb 1.97 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 42.44 3gtl h LEU 495 CO 0.19 0.11 0.76 0.54 0.09 0.00 0.00 178.44 180.14 3gtl n ARG 496 N -3.60 2.46 -3.98 1.13 1.74 -1.21 -4.93 116.66 108.27 3gtl n ARG 496 Ca -0.02 -3.01 -0.29 0.00 -0.77 0.00 0.00 57.85 53.76 3gtl n ARG 496 Cb 0.24 -2.18 -0.05 0.00 -1.02 0.00 0.00 32.46 29.45 3gtl n ARG 496 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3gtl s ARG 497 N -3.45 3.22 -0.06 5.56 3.52 -1.12 -2.88 118.95 123.74 3gtl s ARG 497 Ca 0.59 -0.59 0.05 0.00 -0.13 0.00 0.00 55.73 55.64 3gtl s ARG 497 Cb 0.47 -2.89 -0.00 0.00 -1.56 0.00 0.00 34.95 30.97 3gtl s ARG 497 CO 0.02 0.57 -0.21 0.99 -0.81 0.00 0.00 175.30 175.86 3gtl s THR 498 N -1.55 1.74 0.48 4.11 2.01 -0.12 -1.41 115.64 120.91 3gtl s THR 498 Ca 0.33 -0.87 0.08 0.00 0.31 0.00 0.00 61.69 61.54 3gtl s THR 498 Cb -0.12 -1.50 0.03 0.00 0.01 0.00 0.00 72.50 70.92 3gtl s THR 498 CO 0.26 0.49 0.56 0.21 -0.69 0.00 0.00 174.62 175.45 3gtl s ASN 499 N 0.13 5.20 -0.29 3.53 2.47 0.32 -2.44 114.94 123.85 3gtl s ASN 499 Ca -0.09 -0.74 0.03 0.00 0.42 0.00 0.00 52.86 52.49 3gtl s ASN 499 Cb -0.14 -0.22 0.20 0.00 -1.45 0.00 0.00 41.25 39.63 3gtl s ASN 499 CO 0.04 -0.94 0.61 -0.89 -3.72 0.00 0.00 177.10 172.20 3gtl s THR 500 N -2.53 -0.98 0.60 -5.21 2.01 -1.25 -2.72 115.64 105.56 3gtl s THR 500 Ca 0.52 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 62.36 3gtl s THR 500 Cb -0.06 -0.99 -0.14 0.00 0.01 0.00 0.00 72.50 71.33 3gtl s THR 500 CO 0.32 0.00 -0.30 -2.65 -0.69 0.00 0.00 174.62 171.30 3gtl n PRO 501 N 5.42 0.00 0.00 4.92 -0.02 -1.26 -4.91 135.00 139.15 3gtl n PRO 501 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.51 3gtl n PRO 501 Cb 0.53 -0.92 0.00 0.00 -0.02 0.00 0.00 33.50 33.09 3gtl n PRO 501 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3gtl n ILE 502 N -1.66 0.00 -0.13 4.25 5.41 -1.26 -5.14 119.36 120.83 3gtl n ILE 502 Ca 0.05 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.68 3gtl n ILE 502 Cb 0.46 0.00 -0.02 0.00 -0.71 0.00 0.00 39.64 39.37 3gtl n ILE 502 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtl h ALA 509 N -0.67 0.55 -2.07 -1.39 0.00 -2.03 -3.53 119.26 110.12 3gtl h ALA 509 Ca 0.00 -0.32 -0.54 0.00 0.00 0.00 0.00 54.91 54.05 3gtl h ALA 509 Cb 0.00 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 17.25 3gtl h ALA 509 CO 0.00 0.43 -1.00 1.63 0.00 0.00 0.00 179.25 180.31 3gtl n LYS 510 N -4.33 1.48 -0.10 0.00 5.02 -1.26 -4.98 118.16 113.99 3gtl n LYS 510 Ca -0.01 -3.75 -0.14 0.00 -2.02 0.00 0.00 58.31 52.39 3gtl n LYS 510 Cb 0.37 -1.72 -0.03 0.00 -0.02 0.00 0.00 35.03 33.63 3gtl n LYS 510 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 3gtl h PRO 511 N 3.45 0.89 0.00 1.97 0.13 -1.97 -3.23 132.00 133.23 3gtl h PRO 511 Ca 0.11 -0.51 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3gtl h PRO 511 Cb 0.82 0.04 -0.00 0.00 0.13 0.00 0.00 31.00 31.99 3gtl h PRO 511 CO 0.59 1.15 -0.10 0.00 -0.23 0.00 0.00 178.00 179.40 3gtl h ARG 512 N 0.69 0.00 -6.94 0.86 3.08 -1.89 -3.44 114.38 106.73 3gtl h ARG 512 Ca 0.04 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.53 3gtl h ARG 512 Cb 1.03 0.00 0.16 0.00 0.08 0.00 0.00 29.97 31.25 3gtl h ARG 512 CO 0.10 0.10 0.26 1.04 -1.07 0.00 0.00 179.97 180.40 3gtl n GLN 513 N -3.38 0.92 -3.01 0.04 3.00 -1.22 -4.64 117.38 109.10 3gtl n GLN 513 Ca -0.01 0.36 -0.44 0.00 -0.01 0.00 0.00 57.00 56.90 3gtl n GLN 513 Cb 0.28 -2.30 -0.03 0.00 0.00 0.00 0.00 30.24 28.19 3gtl n GLN 513 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3gtl s LEU 514 N -2.95 5.20 0.08 1.08 2.96 -1.26 -5.02 118.68 118.76 3gtl s LEU 514 Ca 0.79 -1.71 -0.22 0.00 -0.22 0.00 0.00 54.13 52.76 3gtl s LEU 514 Cb -0.40 -2.35 -0.07 0.00 0.50 0.00 0.00 46.19 43.88 3gtl s LEU 514 CO 0.44 -1.11 0.65 -2.28 -1.32 0.00 0.00 176.35 172.74 3gtl s HIS 515 N 2.70 3.80 0.09 5.38 5.65 -1.26 -4.93 115.29 126.71 3gtl s HIS 515 Ca 0.23 1.38 0.01 0.00 0.25 0.00 0.00 55.06 56.93 3gtl s HIS 515 Cb -0.14 -2.63 0.23 0.00 -1.18 0.00 0.00 32.58 28.86 3gtl s HIS 515 CO -0.01 0.48 0.42 0.09 -0.65 0.00 0.00 174.74 175.07 3gtl n ASN 516 N 2.04 -0.01 0.10 9.88 3.02 -1.26 0.23 115.26 129.25 3gtl n ASN 516 Ca -0.07 0.45 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 3gtl n ASN 516 Cb 0.50 -0.17 0.45 0.00 -0.61 0.00 0.00 39.78 39.95 3gtl n ASN 516 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gtl n THR 517 N -4.06 0.72 0.30 3.41 -2.24 -1.26 -3.32 114.28 107.83 3gtl n THR 517 Ca 0.07 0.07 0.18 0.00 -2.27 0.00 0.00 64.05 62.10 3gtl n THR 517 Cb 0.23 -0.93 0.97 0.00 -2.10 0.00 0.00 70.33 68.50 3gtl n THR 517 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 3gtl h HIS 518 N 0.00 0.00 -1.34 4.78 3.86 0.25 -3.44 115.15 119.25 3gtl h HIS 518 Ca 0.00 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.58 3gtl h HIS 518 Cb 0.47 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 3gtl h HIS 518 CO 0.00 0.03 1.46 1.87 0.86 0.00 0.00 177.93 182.15 3gtl n TRP 519 N -3.38 1.67 0.00 2.45 -0.00 -1.21 -1.41 117.44 115.56 3gtl n TRP 519 Ca -0.02 0.15 0.00 0.00 -0.00 0.00 0.00 57.50 57.63 3gtl n TRP 519 Cb 0.14 -2.59 0.00 0.00 -0.00 0.00 0.00 31.31 28.86 3gtl n TRP 519 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 177.69 178.10 3gtl n GLY 520 N 6.30 2.88 0.70 5.87 0.00 -1.26 -4.90 105.19 114.78 3gtl n GLY 520 Ca 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.36 3gtl n GLY 520 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtl n LEU 521 N 0.00 1.27 -4.90 0.99 4.77 -0.50 -4.58 117.00 114.05 3gtl n LEU 521 Ca 0.00 0.19 -0.31 0.00 -0.03 0.00 0.00 56.01 55.86 3gtl n LEU 521 Cb 0.00 -0.44 -0.05 0.00 -2.33 0.00 0.00 43.42 40.60 3gtl n LEU 521 CO 0.00 -0.42 0.03 -0.69 -1.33 0.00 0.00 177.39 174.98 3gtl s VAL 522 N -2.30 5.17 0.09 4.08 1.01 -0.78 0.15 120.40 127.83 3gtl s VAL 522 Ca -0.11 0.02 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 3gtl s VAL 522 Cb 0.02 -3.62 -0.07 0.00 0.00 0.00 0.00 36.38 32.71 3gtl s VAL 522 CO 0.16 0.04 1.29 0.00 0.00 0.00 0.00 175.10 176.59 3gtl h PRO 524 N 6.75 0.00 0.00 0.00 0.13 -1.91 -3.38 132.00 133.60 3gtl h PRO 524 Ca -0.42 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.63 3gtl h PRO 524 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 3gtl h PRO 524 CO 0.83 0.00 -1.28 0.00 -0.23 0.00 0.00 178.00 177.33 3gtl n ALA 525 N -2.26 2.51 -1.83 -0.56 0.00 -1.26 -4.97 120.51 112.14 3gtl n ALA 525 Ca -0.01 -0.20 -0.43 0.00 0.00 0.00 0.00 53.44 52.80 3gtl n ALA 525 Cb 0.18 0.43 -0.03 0.00 0.00 0.00 0.00 19.45 20.03 3gtl n ALA 525 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3gtl s GLU 526 N -2.09 3.74 -0.29 0.00 2.12 -1.26 -4.29 118.70 116.62 3gtl s GLU 526 Ca -0.07 2.09 -0.24 0.00 0.36 0.00 0.00 54.97 57.11 3gtl s GLU 526 Cb 0.02 -4.17 0.16 0.00 0.26 0.00 0.00 34.13 30.40 3gtl s GLU 526 CO 0.09 -1.39 1.23 -0.08 -0.54 0.00 0.00 175.26 174.57 3gtl s THR 527 N 5.78 0.00 -0.77 -1.70 -1.32 -1.26 -4.15 115.64 112.22 3gtl s THR 527 Ca 0.85 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 61.07 3gtl s THR 527 Cb -0.33 -1.00 0.04 0.00 -1.51 0.00 0.00 72.50 69.70 3gtl s THR 527 CO 0.35 0.00 1.25 -2.16 -2.21 0.00 0.00 174.62 171.85 3gtl s PRO 528 N 0.21 3.25 0.08 7.08 0.04 -1.26 -4.87 135.00 139.52 3gtl s PRO 528 Ca 0.04 -0.50 -0.37 0.00 0.04 0.00 0.00 61.00 60.22 3gtl s PRO 528 Cb -0.05 -4.38 -0.17 0.00 0.04 0.00 0.00 34.50 29.94 3gtl s PRO 528 CO -0.11 -2.10 1.29 -1.91 0.04 0.00 0.00 177.00 174.21 3gtl n GLU 529 N 8.98 0.99 0.00 4.56 4.07 -1.26 -3.80 120.64 134.19 3gtl n GLU 529 Ca 0.07 0.36 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 3gtl n GLU 529 Cb 0.49 -1.97 0.00 0.00 -0.06 0.00 0.00 31.44 29.90 3gtl n GLU 529 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 3gtl n GLY 530 N 2.35 0.82 0.00 8.31 0.00 -1.26 -4.84 105.19 110.56 3gtl n GLY 530 Ca 0.18 -1.23 0.00 0.00 0.00 0.00 0.00 46.02 44.98 3gtl n GLY 530 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gtl n GLN 531 N 0.00 0.00 -3.01 1.61 3.00 -1.26 -1.63 117.38 116.08 3gtl n GLN 531 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.00 56.67 3gtl n GLN 531 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 30.24 30.21 3gtl n GLN 531 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3gtl n ALA 532 N 0.00 4.89 -1.78 -1.58 0.00 -1.26 -5.07 120.51 115.71 3gtl n ALA 532 Ca 0.00 -4.72 -0.37 0.00 0.00 0.00 0.00 53.44 48.34 3gtl n ALA 532 Cb 0.00 -1.31 -0.05 0.00 0.00 0.00 0.00 19.45 18.09 3gtl n ALA 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gtl n GLY 534 N 0.60 1.32 0.19 0.00 0.00 -1.26 -4.72 105.19 101.32 3gtl n GLY 534 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 3gtl n GLY 534 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gtl h LEU 535 N 0.00 0.85 -9.65 0.99 3.38 -1.84 -3.42 115.31 105.61 3gtl h LEU 535 Ca 0.00 -0.67 -0.59 0.00 0.09 0.00 0.00 57.88 56.71 3gtl h LEU 535 Cb 0.00 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 3gtl h LEU 535 CO 0.00 1.47 -0.10 -0.69 0.09 0.00 0.00 178.44 179.21 3gtl s VAL 536 N -3.33 4.89 0.04 1.22 1.01 -1.25 -3.89 120.40 119.09 3gtl s VAL 536 Ca -0.09 1.06 0.01 0.00 0.00 0.00 0.00 61.98 62.96 3gtl s VAL 536 Cb 0.07 -3.82 -0.03 0.00 0.00 0.00 0.00 36.38 32.60 3gtl s VAL 536 CO 0.91 0.54 -0.05 -0.54 0.00 0.00 0.00 175.10 175.96 3gtl s LYS 537 N -0.91 0.51 -0.06 2.72 -0.14 -1.02 -4.56 119.74 116.28 3gtl s LYS 537 Ca 0.27 -0.85 0.04 0.00 -1.36 0.00 0.00 55.97 54.08 3gtl s LYS 537 Cb -0.18 -0.07 -0.02 0.00 -1.68 0.00 0.00 37.83 35.88 3gtl s LYS 537 CO 0.16 -0.02 -0.20 -0.80 -0.76 0.00 0.00 175.35 173.74 3gtl s ASN 538 N -1.92 3.52 0.53 2.83 0.01 -1.26 -0.94 114.94 117.71 3gtl s ASN 538 Ca -0.07 -0.38 -0.19 0.00 -0.71 0.00 0.00 52.86 51.51 3gtl s ASN 538 Cb -0.05 -0.92 -0.06 0.00 0.41 0.00 0.00 41.25 40.62 3gtl s ASN 538 CO -0.02 0.27 1.08 -0.76 -1.51 0.00 0.00 177.10 176.16 3gtl s LEU 539 N -0.29 3.74 1.18 0.60 1.43 -1.14 -1.42 118.68 122.77 3gtl s LEU 539 Ca 0.01 2.01 -0.13 0.00 -1.03 0.00 0.00 54.13 55.00 3gtl s LEU 539 Cb -0.13 -4.56 0.29 0.00 0.03 0.00 0.00 46.19 41.81 3gtl s LEU 539 CO 0.03 -1.05 0.99 -1.20 0.23 0.00 0.00 176.35 175.34 3gtl n SER 540 N -1.31 -1.74 0.12 2.29 7.64 0.40 -4.22 113.62 116.80 3gtl n SER 540 Ca 0.10 -0.16 -0.07 0.00 1.01 0.00 0.00 58.87 59.75 3gtl n SER 540 Cb 0.52 -1.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.43 3gtl n SER 540 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 3gtl h LEU 541 N -2.68 -0.55 -4.61 -3.43 3.38 -1.48 -3.36 115.31 102.59 3gtl h LEU 541 Ca -0.61 0.04 -0.46 0.00 0.09 0.00 0.00 57.88 56.94 3gtl h LEU 541 Cb 1.33 0.18 -0.08 0.00 0.09 0.00 0.00 40.66 42.19 3gtl h LEU 541 CO 0.49 -0.27 1.27 0.80 0.09 0.00 0.00 178.44 180.82 3gtl n MET 542 N -3.55 2.91 -3.69 1.13 1.56 -1.26 -4.84 117.12 109.37 3gtl n MET 542 Ca -0.05 -1.95 -0.11 0.00 -0.27 0.00 0.00 57.70 55.32 3gtl n MET 542 Cb 0.19 -2.33 -0.10 0.00 2.15 0.00 0.00 33.22 33.13 3gtl n MET 542 CO 0.00 0.00 0.00 -1.54 -0.73 0.00 0.00 175.97 173.70 3gtl s SER 543 N 1.45 -0.60 0.53 6.12 1.04 -1.26 -4.47 113.70 116.51 3gtl s SER 543 Ca 0.64 1.05 0.03 0.00 0.48 0.00 0.00 55.95 58.15 3gtl s SER 543 Cb 0.28 0.98 0.01 0.00 0.10 0.00 0.00 66.02 67.39 3gtl s SER 543 CO -0.08 -0.20 0.16 0.00 0.98 0.00 0.00 173.24 174.11 3gtl s ILE 545 N -2.85 3.32 -0.09 0.00 1.09 -1.26 -2.56 121.20 118.85 3gtl s ILE 545 Ca 0.15 -0.58 -0.40 0.00 -1.10 0.00 0.00 60.65 58.72 3gtl s ILE 545 Cb -0.00 -2.39 -0.18 0.00 -1.06 0.00 0.00 42.46 38.83 3gtl s ILE 545 CO 0.09 0.54 1.37 -1.54 -0.10 0.00 0.00 174.94 175.31 3gtl n SER 546 N 3.11 1.24 0.10 3.58 3.41 0.27 -4.86 113.62 120.48 3gtl n SER 546 Ca -0.18 1.13 -0.04 0.00 -0.26 0.00 0.00 58.87 59.53 3gtl n SER 546 Cb 0.53 -1.06 0.04 0.00 -0.26 0.00 0.00 64.21 63.46 3gtl n SER 546 CO 0.00 0.00 0.00 1.62 -0.16 0.00 0.00 175.04 176.50 3gtl h VAL 547 N 3.83 1.54 -1.27 -3.33 3.04 -1.89 -3.21 116.25 114.95 3gtl h VAL 547 Ca -0.48 -2.69 0.00 0.00 -1.01 0.00 0.00 66.70 62.52 3gtl h VAL 547 Cb 1.36 2.46 0.00 0.00 -2.01 0.00 0.00 31.29 33.11 3gtl h VAL 547 CO 0.80 0.76 0.00 0.61 -1.01 0.00 0.00 177.57 178.74 3gtl n GLY 548 N 0.76 -1.78 0.00 3.17 0.00 -1.26 -4.87 105.19 101.21 3gtl n GLY 548 Ca -0.01 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.27 3gtl n GLY 548 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3gtl n THR 549 N 0.92 0.00 -5.21 2.61 -1.04 -1.23 -4.96 114.28 105.36 3gtl n THR 549 Ca 0.00 0.00 -0.32 0.00 -2.04 0.00 0.00 64.05 61.69 3gtl n THR 549 Cb 0.00 -0.38 -0.17 0.00 -1.82 0.00 0.00 70.33 67.96 3gtl n THR 549 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtl s ASP 550 N -0.72 3.10 0.06 8.00 2.15 -1.26 -4.98 116.67 123.02 3gtl s ASP 550 Ca 0.00 -0.55 0.07 0.00 0.43 0.00 0.00 52.55 52.49 3gtl s ASP 550 Cb 0.00 -1.39 -0.23 0.00 -0.30 0.00 0.00 42.92 41.00 3gtl s ASP 550 CO 0.00 0.16 1.05 1.55 -0.17 0.00 0.00 175.17 177.76 3gtl h PRO 551 N 6.69 0.05 -0.00 4.34 0.13 -2.00 -3.38 132.00 137.82 3gtl h PRO 551 Ca -0.20 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3gtl h PRO 551 Cb 1.24 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.40 3gtl h PRO 551 CO 0.47 0.89 -0.14 0.00 -0.23 0.00 0.00 178.00 178.99 3gtl n MET 552 N -3.29 0.41 -0.15 0.86 0.00 -1.26 -1.57 117.12 112.13 3gtl n MET 552 Ca -0.07 -0.13 0.04 0.00 0.00 0.00 0.00 57.70 57.54 3gtl n MET 552 Cb 0.99 -1.50 0.11 0.00 0.00 0.00 0.00 33.22 32.83 3gtl n MET 552 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 3gtl n PRO 553 N -1.18 1.66 -0.08 3.17 -0.05 -1.26 -1.35 135.00 135.91 3gtl n PRO 553 Ca 0.11 -0.92 -0.14 0.00 -0.05 0.00 0.00 63.50 62.50 3gtl n PRO 553 Cb 0.30 -1.25 -0.07 0.00 -0.05 0.00 0.00 33.50 32.43 3gtl n PRO 553 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 175.50 174.56 3gtl n ILE 554 N 0.24 0.92 -0.01 0.52 2.08 -0.69 -4.29 119.36 118.12 3gtl n ILE 554 Ca 0.09 -0.30 -0.11 0.00 0.56 0.00 0.00 62.75 62.99 3gtl n ILE 554 Cb 0.25 -1.33 -0.04 0.00 -0.75 0.00 0.00 39.64 37.76 3gtl n ILE 554 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 3gtl h ILE 555 N -0.25 0.23 -0.73 1.39 1.08 -1.32 0.79 117.51 118.70 3gtl h ILE 555 Ca -0.39 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.14 3gtl h ILE 555 Cb 1.48 0.23 -0.04 0.00 -3.07 0.00 0.00 36.82 35.42 3gtl h ILE 555 CO -0.14 0.00 0.48 0.74 -0.69 0.00 0.00 178.15 178.54 3gtl h THR 556 N -0.41 1.06 0.00 -0.27 2.02 -1.47 0.58 112.91 114.41 3gtl h THR 556 Ca 0.10 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 3gtl h THR 556 Cb 0.57 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 3gtl h THR 556 CO -0.39 0.15 -0.40 0.15 0.37 0.00 0.00 175.52 175.41 3gtl h PHE 557 N 0.82 0.00 -0.02 3.16 3.57 -1.58 -2.51 116.94 120.38 3gtl h PHE 557 Ca 0.31 0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.76 3gtl h PHE 557 Cb 0.17 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.91 3gtl h PHE 557 CO -0.00 0.40 -0.16 -0.07 -2.23 0.00 0.00 178.31 176.24 3gtl h LEU 558 N 0.00 0.18 -1.43 0.59 3.38 0.13 -3.15 115.31 115.02 3gtl h LEU 558 Ca -0.00 -0.69 -0.03 0.00 0.09 0.00 0.00 57.88 57.25 3gtl h LEU 558 Cb 0.89 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 3gtl h LEU 558 CO 0.05 0.85 -0.13 0.77 0.09 0.00 0.00 178.44 180.07 3gtl h SER 559 N -0.47 0.00 0.71 -0.43 4.64 -1.31 -0.41 113.55 116.28 3gtl h SER 559 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3gtl h SER 559 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 3gtl h SER 559 CO 0.03 0.13 0.00 -0.62 -0.87 0.00 0.00 176.83 175.50 3gtl n GLU 560 N -3.32 0.07 -1.20 4.77 1.02 -0.95 -4.17 120.64 116.87 3gtl n GLU 560 Ca -0.00 0.25 -0.02 0.00 -0.02 0.00 0.00 57.16 57.37 3gtl n GLU 560 Cb 0.34 -1.62 0.13 0.00 -0.02 0.00 0.00 31.44 30.27 3gtl n GLU 560 CO 0.00 0.00 0.00 0.91 1.18 0.00 0.00 177.13 179.22 3gtl n TRP 561 N -1.75 0.74 -0.29 -0.32 7.02 -0.17 -4.93 117.44 117.75 3gtl n TRP 561 Ca 0.04 -1.57 0.00 0.00 -1.02 0.00 0.00 57.50 54.95 3gtl n TRP 561 Cb 0.23 -0.26 0.00 0.00 -2.42 0.00 0.00 31.31 28.87 3gtl n TRP 561 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3gtl n GLY 562 N -0.76 0.84 3.69 6.99 0.00 -1.25 -5.04 105.19 109.66 3gtl n GLY 562 Ca 0.23 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3gtl n GLY 562 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gtl s MET 563 N -0.66 4.38 -0.11 1.61 0.00 -1.16 -4.30 119.30 119.06 3gtl s MET 563 Ca 0.00 1.15 -0.20 0.00 0.00 0.00 0.00 55.69 56.64 3gtl s MET 563 Cb 0.00 -3.53 -0.04 0.00 0.00 0.00 0.00 34.83 31.26 3gtl s MET 563 CO 0.00 -0.24 0.58 -1.21 0.00 0.00 0.00 175.02 174.15 3gtl s GLU 564 N 1.80 4.36 1.31 4.11 2.02 -1.02 -4.66 118.70 126.62 3gtl s GLU 564 Ca 0.43 0.62 -0.21 0.00 0.02 0.00 0.00 54.97 55.83 3gtl s GLU 564 Cb -0.18 -3.46 0.33 0.00 0.10 0.00 0.00 34.13 30.92 3gtl s GLU 564 CO 0.16 0.07 1.03 -1.25 0.02 0.00 0.00 175.26 175.30 3gtl s PRO 565 N 0.86 -2.05 0.13 0.39 0.04 -1.26 -1.61 135.00 131.50 3gtl s PRO 565 Ca 0.30 0.00 -0.08 0.00 0.04 0.00 0.00 61.00 61.27 3gtl s PRO 565 Cb -0.16 -1.49 -0.07 0.00 0.04 0.00 0.00 34.50 32.81 3gtl s PRO 565 CO 0.13 -4.27 1.35 1.25 0.04 0.00 0.00 177.00 175.50 3gtl h LEU 566 N -2.98 0.75 -0.23 -3.56 5.85 -1.89 -3.23 115.31 110.01 3gtl h LEU 566 Ca -0.44 -0.50 0.00 0.00 0.84 0.00 0.00 57.88 57.78 3gtl h LEU 566 Cb 1.31 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 42.12 3gtl h LEU 566 CO 0.31 1.28 0.00 -1.84 -0.34 0.00 0.00 178.44 177.84 3gtl n GLU 567 N -3.89 1.01 -0.09 1.25 0.00 -1.26 -2.88 120.64 114.78 3gtl n GLU 567 Ca -0.06 -0.02 0.06 0.00 0.00 0.00 0.00 57.16 57.14 3gtl n GLU 567 Cb 0.74 -1.11 0.09 0.00 0.00 0.00 0.00 31.44 31.16 3gtl n GLU 567 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3gtl n ASP 568 N -0.38 1.96 -4.71 -1.84 8.00 -1.22 -5.07 116.55 113.30 3gtl n ASP 568 Ca 0.00 -2.64 -0.38 0.00 0.71 0.00 0.00 54.79 52.48 3gtl n ASP 568 Cb 0.06 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.81 3gtl n ASP 568 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3gtl s TYR 569 N -2.04 3.46 -0.42 1.24 5.04 -1.14 -4.98 117.35 118.52 3gtl s TYR 569 Ca 0.20 0.80 -0.03 0.00 -2.44 0.00 0.00 57.07 55.60 3gtl s TYR 569 Cb 0.17 -2.55 0.11 0.00 0.35 0.00 0.00 41.96 40.05 3gtl s TYR 569 CO 0.02 0.11 0.21 0.14 -1.34 0.00 0.00 175.55 174.68 3gtl s VAL 570 N 0.87 3.29 0.21 3.14 -7.23 -1.26 -5.00 120.40 114.43 3gtl s VAL 570 Ca 0.24 -2.10 -0.07 0.00 -1.81 0.00 0.00 61.98 58.24 3gtl s VAL 570 Cb -0.15 -3.26 0.14 0.00 0.56 0.00 0.00 36.38 33.68 3gtl s VAL 570 CO 0.09 -0.70 1.76 -0.65 -0.31 0.00 0.00 175.10 175.29 3gtl h PRO 571 N 8.01 1.15 0.00 4.82 0.11 -1.89 -2.10 132.00 142.09 3gtl h PRO 571 Ca -0.12 -0.24 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gtl h PRO 571 Cb 1.04 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3gtl h PRO 571 CO 0.70 0.97 0.00 1.12 -0.21 0.00 0.00 178.00 180.57 3gtl h HIS 572 N 1.11 0.00 0.00 0.65 2.07 -1.94 -3.26 115.15 113.78 3gtl h HIS 572 Ca 0.24 0.00 -0.18 0.00 -2.85 0.00 0.00 60.37 57.58 3gtl h HIS 572 Cb 0.29 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 30.23 3gtl h HIS 572 CO 0.02 0.00 -1.94 0.94 -3.07 0.00 0.00 177.93 173.88 3gtl n GLN 573 N -2.34 1.17 -3.86 5.12 7.27 -0.93 -4.70 117.38 119.10 3gtl n GLN 573 Ca 0.02 -0.06 -0.30 0.00 0.07 0.00 0.00 57.00 56.74 3gtl n GLN 573 Cb 0.27 -1.39 -0.11 0.00 2.41 0.00 0.00 30.24 31.42 3gtl n GLN 573 CO 0.00 0.00 0.00 -1.12 0.07 0.00 0.00 177.06 176.01 3gtl s SER 574 N -4.53 4.96 0.00 1.69 0.01 -0.83 -4.93 113.70 110.07 3gtl s SER 574 Ca -0.07 -3.69 0.23 0.00 1.31 0.00 0.00 55.95 53.73 3gtl s SER 574 Cb 0.07 -1.69 0.63 0.00 0.21 0.00 0.00 66.02 65.24 3gtl s SER 574 CO 0.64 -0.13 1.50 -0.81 0.41 0.00 0.00 173.24 174.85 3gtl n PRO 575 N 2.23 2.02 -0.66 12.44 -0.04 -1.26 -3.72 135.00 146.01 3gtl n PRO 575 Ca 0.18 -1.51 0.06 0.00 -0.04 0.00 0.00 63.50 62.18 3gtl n PRO 575 Cb 0.35 -1.45 0.18 0.00 -0.04 0.00 0.00 33.50 32.54 3gtl n PRO 575 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gtl n ASP 576 N 0.76 1.66 -4.62 3.54 8.00 -1.26 -5.01 116.55 119.61 3gtl n ASP 576 Ca 0.17 -3.57 -0.38 0.00 0.71 0.00 0.00 54.79 51.72 3gtl n ASP 576 Cb 0.45 -0.49 -0.10 0.00 -0.02 0.00 0.00 41.12 40.96 3gtl n ASP 576 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gtl s ALA 577 N -2.76 3.56 -0.57 2.24 0.00 -1.24 -4.56 121.76 118.43 3gtl s ALA 577 Ca 0.36 -0.89 -0.25 0.00 0.00 0.00 0.00 51.96 51.18 3gtl s ALA 577 Cb 0.36 -2.53 0.04 0.00 0.00 0.00 0.00 23.12 20.99 3gtl s ALA 577 CO -0.07 -0.46 1.02 0.99 0.00 0.00 0.00 175.76 177.23 3gtl s THR 578 N 1.62 4.27 0.55 0.00 2.01 0.47 -4.83 115.64 119.72 3gtl s THR 578 Ca 0.11 0.40 -0.21 0.00 0.31 0.00 0.00 61.69 62.30 3gtl s THR 578 Cb -0.15 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.70 3gtl s THR 578 CO 0.09 -1.22 1.32 0.00 -0.69 0.00 0.00 174.62 174.12 3gtl s ARG 579 N 4.27 3.15 -0.12 4.92 1.70 -1.10 -2.33 118.95 129.43 3gtl s ARG 579 Ca 0.33 2.13 0.03 0.00 -0.47 0.00 0.00 55.73 57.75 3gtl s ARG 579 Cb -0.11 -2.21 0.01 0.00 -0.57 0.00 0.00 34.95 32.06 3gtl s ARG 579 CO 0.20 -1.15 -0.23 0.08 -1.08 0.00 0.00 175.30 173.13 3gtl s VAL 580 N -1.36 2.08 0.32 4.99 1.01 -0.11 -2.81 120.40 124.51 3gtl s VAL 580 Ca 0.72 -0.99 0.08 0.00 0.00 0.00 0.00 61.98 61.79 3gtl s VAL 580 Cb -0.38 -1.82 -0.03 0.00 0.00 0.00 0.00 36.38 34.15 3gtl s VAL 580 CO 0.44 0.55 0.20 -0.36 0.00 0.00 0.00 175.10 175.93 3gtl s PHE 581 N 0.63 2.86 -0.20 5.22 0.40 0.84 -2.16 117.98 125.57 3gtl s PHE 581 Ca -0.12 -0.29 -0.15 0.00 -0.60 0.00 0.00 56.93 55.78 3gtl s PHE 581 Cb -0.16 -1.62 0.06 0.00 0.51 0.00 0.00 43.02 41.80 3gtl s PHE 581 CO 0.02 0.33 0.52 0.08 0.70 0.00 0.00 175.22 176.87 3gtl s VAL 582 N -2.32 -0.01 -0.53 -0.44 1.01 -0.20 -1.97 120.40 115.94 3gtl s VAL 582 Ca 0.38 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.38 3gtl s VAL 582 Cb -0.05 -0.74 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3gtl s VAL 582 CO 0.24 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.95 3gtl n ASN 583 N 3.47 -1.59 -0.10 3.32 4.13 -0.95 0.93 115.26 124.47 3gtl n ASN 583 Ca -0.17 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.27 3gtl n ASN 583 Cb 0.56 -1.69 0.00 0.00 -1.54 0.00 0.00 39.78 37.11 3gtl n ASN 583 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3gtl n GLY 584 N -0.22 0.64 3.00 7.41 0.00 -1.26 -4.92 105.19 109.84 3gtl n GLY 584 Ca -0.05 -0.75 -0.21 0.00 0.00 0.00 0.00 46.02 45.00 3gtl n GLY 584 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gtl s VAL 585 N -2.19 0.86 -0.59 1.61 1.01 0.27 -4.86 120.40 116.49 3gtl s VAL 585 Ca 0.00 -0.38 -0.23 0.00 0.00 0.00 0.00 61.98 61.37 3gtl s VAL 585 Cb 0.00 -0.77 0.05 0.00 0.00 0.00 0.00 36.38 35.66 3gtl s VAL 585 CO 0.00 0.27 0.94 0.86 0.00 0.00 0.00 175.10 177.17 3gtl s TRP 586 N 0.33 2.75 -1.86 5.22 -0.11 -1.26 -1.03 118.94 122.97 3gtl s TRP 586 Ca -0.06 -0.24 0.11 0.00 1.22 0.00 0.00 56.10 57.13 3gtl s TRP 586 Cb -0.10 -4.14 0.34 0.00 -1.50 0.00 0.00 33.47 28.07 3gtl s TRP 586 CO 0.01 -1.46 1.26 0.72 -4.62 0.00 0.00 176.95 172.86 3gtl n HIS 587 N 7.54 0.56 0.00 5.86 8.25 -0.92 -4.86 115.22 131.65 3gtl n HIS 587 Ca -0.01 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.19 3gtl n HIS 587 Cb 0.47 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.55 3gtl n HIS 587 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtl n GLY 588 N 1.02 -0.78 3.78 -1.41 0.00 -1.24 -3.96 105.19 102.59 3gtl n GLY 588 Ca 0.13 -2.17 -0.29 0.00 0.00 0.00 0.00 46.02 43.69 3gtl n GLY 588 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtl n VAL 589 N 0.00 0.00 -3.63 1.61 0.31 -0.63 -0.94 118.33 115.05 3gtl n VAL 589 Ca 0.00 -2.29 -0.13 0.00 -0.01 0.00 0.00 64.34 61.91 3gtl n VAL 589 Cb 0.00 0.18 -0.07 0.00 -0.91 0.00 0.00 33.84 33.04 3gtl n VAL 589 CO 0.00 0.00 0.00 -2.28 -1.32 0.00 0.00 176.83 173.23 3gtl s HIS 590 N -2.80 -0.70 -0.11 3.52 5.04 -0.98 -2.43 115.29 116.83 3gtl s HIS 590 Ca 0.19 1.69 -0.05 0.00 -1.54 0.00 0.00 55.06 55.35 3gtl s HIS 590 Cb -0.02 0.30 -0.04 0.00 0.04 0.00 0.00 32.58 32.87 3gtl s HIS 590 CO 0.12 -0.35 0.09 1.03 -2.34 0.00 0.00 174.74 173.29 3gtl s ARG 591 N 0.27 3.27 -0.41 2.88 0.52 -1.26 -0.40 118.95 123.83 3gtl s ARG 591 Ca 0.00 -0.23 -0.16 0.00 -0.52 0.00 0.00 55.73 54.82 3gtl s ARG 591 Cb -0.05 -3.05 0.02 0.00 0.52 0.00 0.00 34.95 32.40 3gtl s ARG 591 CO -0.01 0.75 0.51 -1.71 0.02 0.00 0.00 175.30 174.87 3gtl n ASN 592 N 2.04 -7.67 -0.15 0.23 5.15 -1.26 -4.93 115.26 108.67 3gtl n ASN 592 Ca -0.19 0.58 0.14 0.00 -0.60 0.00 0.00 54.58 54.51 3gtl n ASN 592 Cb 0.54 -4.88 0.60 0.00 -0.53 0.00 0.00 39.78 35.51 3gtl n ASN 592 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 3gtl n PRO 593 N -0.11 0.79 -0.35 1.20 -0.04 -1.26 -4.02 135.00 131.20 3gtl n PRO 593 Ca 0.08 -0.30 -0.00 0.00 -0.04 0.00 0.00 63.50 63.24 3gtl n PRO 593 Cb 0.42 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.52 3gtl n PRO 593 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gtl h ALA 594 N 3.69 1.27 0.00 0.55 0.00 -1.99 -2.08 119.26 120.70 3gtl h ALA 594 Ca 0.00 -0.04 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3gtl h ALA 594 Cb 0.36 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 3gtl h ALA 594 CO 0.00 0.49 -2.06 0.54 0.00 0.00 0.00 179.25 178.23 3gtl n ARG 595 N -4.48 0.67 0.27 0.00 1.74 -1.26 -4.00 116.66 109.59 3gtl n ARG 595 Ca 0.13 0.01 0.12 0.00 -0.77 0.00 0.00 57.85 57.34 3gtl n ARG 595 Cb 0.10 -1.59 0.77 0.00 -1.02 0.00 0.00 32.46 30.72 3gtl n ARG 595 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gtl h LEU 596 N 0.00 0.00 0.00 0.55 5.85 -1.66 -1.69 115.31 118.35 3gtl h LEU 596 Ca -0.32 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3gtl h LEU 596 Cb 1.79 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.82 3gtl h LEU 596 CO 0.03 0.07 -0.01 -0.03 -0.34 0.00 0.00 178.44 178.16 3gtl h MET 597 N 0.00 0.00 -0.90 1.25 4.05 -1.57 -2.09 114.93 115.67 3gtl h MET 597 Ca -0.00 0.00 0.34 0.00 -0.28 0.00 0.00 59.70 59.76 3gtl h MET 597 Cb 0.17 0.00 -0.16 0.00 -0.80 0.00 0.00 31.60 30.80 3gtl h MET 597 CO 0.01 0.30 0.34 -1.91 0.23 0.00 0.00 176.91 175.88 3gtl n GLU 598 N -4.73 -0.06 -0.01 0.39 4.07 -1.12 -0.15 120.64 119.04 3gtl n GLU 598 Ca -0.03 1.28 -0.10 0.00 -0.06 0.00 0.00 57.16 58.25 3gtl n GLU 598 Cb 0.15 -2.21 -0.08 0.00 -0.06 0.00 0.00 31.44 29.24 3gtl n GLU 598 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 3gtl h THR 599 N 0.00 1.02 -1.29 6.31 2.02 -1.43 -2.54 112.91 116.99 3gtl h THR 599 Ca 0.70 -1.48 0.39 0.00 0.77 0.00 0.00 66.41 66.78 3gtl h THR 599 Cb 1.74 1.82 -0.10 0.00 -1.74 0.00 0.00 68.15 69.87 3gtl h THR 599 CO -0.74 0.30 0.86 -0.07 0.37 0.00 0.00 175.52 176.24 3gtl h LEU 600 N -0.91 0.24 0.25 2.58 -0.00 -0.19 0.93 115.31 118.21 3gtl h LEU 600 Ca -0.01 0.09 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 3gtl h LEU 600 Cb 0.58 0.06 0.00 0.00 -0.00 0.00 0.00 40.66 41.30 3gtl h LEU 600 CO 0.02 -0.07 -0.12 0.03 -0.00 0.00 0.00 178.44 178.30 3gtl h ARG 601 N 0.15 -0.33 -1.11 1.13 3.08 -0.62 -3.29 114.38 113.40 3gtl h ARG 601 Ca 0.73 0.02 0.32 0.00 0.07 0.00 0.00 59.98 61.13 3gtl h ARG 601 Cb 2.35 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 32.43 3gtl h ARG 601 CO -0.29 0.00 0.81 1.15 -1.07 0.00 0.00 179.97 180.58 3gtl h THR 602 N -0.95 0.42 0.04 2.04 2.02 -0.39 0.43 112.91 116.52 3gtl h THR 602 Ca -0.03 0.00 -0.23 0.00 0.77 0.00 0.00 66.41 66.92 3gtl h THR 602 Cb 0.48 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 3gtl h THR 602 CO 0.06 0.00 -1.01 -0.07 0.37 0.00 0.00 175.52 174.87 3gtl h LEU 603 N 0.00 0.35 -0.05 2.58 3.38 -1.50 -2.94 115.31 117.13 3gtl h LEU 603 Ca 0.53 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 3gtl h LEU 603 Cb 2.14 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.78 3gtl h LEU 603 CO -0.01 1.16 -0.10 -0.09 0.09 0.00 0.00 178.44 179.50 3gtl h ARG 604 N 0.12 0.15 0.00 1.13 2.43 -0.28 0.77 114.38 118.70 3gtl h ARG 604 Ca -0.08 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3gtl h ARG 604 Cb 1.68 0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.24 3gtl h ARG 604 CO 0.16 0.68 0.00 0.54 -1.51 0.00 0.00 179.97 179.84 3gtl n ARG 605 N -4.68 0.60 -0.04 0.20 1.74 -0.27 -0.29 116.66 113.93 3gtl n ARG 605 Ca -0.08 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.97 3gtl n ARG 605 Cb 0.35 -1.21 -0.08 0.00 -1.02 0.00 0.00 32.46 30.50 3gtl n ARG 605 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3gtl n LYS 606 N -0.71 2.12 0.00 5.56 4.81 -1.11 -3.28 118.16 125.55 3gtl n LYS 606 Ca 0.06 -0.02 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 3gtl n LYS 606 Cb 0.03 -1.24 0.00 0.00 0.02 0.00 0.00 35.03 33.84 3gtl n LYS 606 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gtl n GLY 607 N 2.34 0.50 0.32 3.14 0.00 0.60 -4.59 105.19 107.50 3gtl n GLY 607 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.76 3gtl n GLY 607 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gtl h ASP 608 N 0.00 -0.85 -3.44 1.61 3.32 0.26 -3.38 116.42 113.94 3gtl h ASP 608 Ca 0.00 0.10 -0.62 0.00 0.02 0.00 0.00 57.03 56.54 3gtl h ASP 608 Cb 0.00 0.33 -0.15 0.00 0.22 0.00 0.00 39.33 39.73 3gtl h ASP 608 CO 0.00 -0.38 -0.52 -0.63 -1.72 0.00 0.00 179.24 175.99 3gtl s ILE 609 N -6.03 5.19 -0.03 0.35 -1.09 -0.31 -4.96 121.20 114.32 3gtl s ILE 609 Ca -0.16 0.12 -0.26 0.00 -2.23 0.00 0.00 60.65 58.12 3gtl s ILE 609 Cb 0.08 -3.39 -0.13 0.00 -1.58 0.00 0.00 42.46 37.45 3gtl s ILE 609 CO 0.65 0.40 0.72 -3.20 -1.23 0.00 0.00 174.94 172.27 3gtl n ASN 610 N 3.95 0.07 0.15 3.58 2.85 -1.26 -3.60 115.26 121.01 3gtl n ASN 610 Ca -0.16 0.74 0.12 0.00 -0.11 0.00 0.00 54.58 55.17 3gtl n ASN 610 Cb 0.52 -0.59 0.56 0.00 1.24 0.00 0.00 39.78 41.51 3gtl n ASN 610 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3gtl n PRO 611 N 1.12 0.17 -0.03 1.20 -0.02 -1.26 -2.57 135.00 133.61 3gtl n PRO 611 Ca 0.13 0.54 -0.16 0.00 -2.02 0.00 0.00 63.50 62.00 3gtl n PRO 611 Cb 0.04 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.49 3gtl n PRO 611 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gtl h GLU 612 N 0.00 0.42 -6.48 -0.52 4.81 -1.92 -3.36 114.58 107.54 3gtl h GLU 612 Ca 0.00 -0.36 -0.53 0.00 -0.13 0.00 0.00 59.36 58.34 3gtl h GLU 612 Cb 0.18 0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.66 3gtl h GLU 612 CO 0.00 1.00 0.95 0.08 -0.73 0.00 0.00 179.01 180.31 3gtl s VAL 613 N -3.59 3.03 -0.13 0.32 1.01 -1.06 -4.93 120.40 115.04 3gtl s VAL 613 Ca -0.13 0.55 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 3gtl s VAL 613 Cb 0.04 -3.35 -0.04 0.00 0.00 0.00 0.00 36.38 33.03 3gtl s VAL 613 CO 0.80 0.01 0.17 -0.94 0.00 0.00 0.00 175.10 175.14 3gtl s SER 614 N 2.06 6.38 -0.24 3.32 1.04 -1.19 -4.97 113.70 120.10 3gtl s SER 614 Ca 0.72 0.46 -0.00 0.00 0.48 0.00 0.00 55.95 57.60 3gtl s SER 614 Cb -0.40 -2.10 0.07 0.00 0.10 0.00 0.00 66.02 63.69 3gtl s SER 614 CO 0.31 0.33 -0.01 -0.04 0.98 0.00 0.00 173.24 174.81 3gtl s MET 615 N -0.61 1.30 -0.72 4.02 -1.94 -1.26 -0.93 119.30 119.16 3gtl s MET 615 Ca 0.14 -0.93 -0.11 0.00 -1.71 0.00 0.00 55.69 53.08 3gtl s MET 615 Cb -0.12 -2.45 0.19 0.00 2.01 0.00 0.00 34.83 34.45 3gtl s MET 615 CO 0.03 -0.67 0.63 0.42 -0.01 0.00 0.00 175.02 175.42 3gtl s ILE 616 N 1.49 4.98 -0.09 2.53 1.09 -0.26 -5.01 121.20 125.93 3gtl s ILE 616 Ca -0.02 -2.45 -0.30 0.00 -1.10 0.00 0.00 60.65 56.79 3gtl s ILE 616 Cb -0.18 -4.14 -0.02 0.00 -1.06 0.00 0.00 42.46 37.07 3gtl s ILE 616 CO -0.09 -0.95 1.02 -0.60 -0.10 0.00 0.00 174.94 174.21 3gtl s ARG 617 N 0.34 4.44 -0.65 2.79 6.06 -1.26 -3.04 118.95 127.63 3gtl s ARG 617 Ca 0.15 1.42 0.04 0.00 -2.50 0.00 0.00 55.73 54.84 3gtl s ARG 617 Cb -0.16 -3.53 0.33 0.00 0.06 0.00 0.00 34.95 31.65 3gtl s ARG 617 CO -0.06 -0.29 1.04 -3.47 -2.50 0.00 0.00 175.30 170.03 3gtl n ASP 618 N 4.87 4.80 0.00 -2.12 -0.08 -1.03 -4.90 116.55 118.08 3gtl n ASP 618 Ca 0.09 -3.66 0.00 0.00 -1.51 0.00 0.00 54.79 49.71 3gtl n ASP 618 Cb 0.49 -0.66 0.00 0.00 2.34 0.00 0.00 41.12 43.29 3gtl n ASP 618 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 3gtl n ILE 619 N -0.07 0.00 0.84 5.18 2.08 -1.26 -0.04 119.36 126.08 3gtl n ILE 619 Ca 0.33 0.00 0.13 0.00 0.56 0.00 0.00 62.75 63.76 3gtl n ILE 619 Cb 0.38 0.00 0.32 0.00 -0.75 0.00 0.00 39.64 39.59 3gtl n ILE 619 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 3gtl n ARG 620 N -3.00 0.11 -0.08 0.38 1.74 -1.26 -3.10 116.66 111.46 3gtl n ARG 620 Ca 0.00 0.05 0.03 0.00 -0.77 0.00 0.00 57.85 57.16 3gtl n ARG 620 Cb 0.00 -1.59 0.07 0.00 -1.02 0.00 0.00 32.46 29.93 3gtl n ARG 620 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gtl n GLU 621 N -1.76 2.04 -3.81 5.56 4.07 0.94 -5.01 120.64 122.67 3gtl n GLU 621 Ca 0.05 -1.56 -0.25 0.00 -0.06 0.00 0.00 57.16 55.34 3gtl n GLU 621 Cb 0.38 -1.15 0.01 0.00 -0.06 0.00 0.00 31.44 30.61 3gtl n GLU 621 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 3gtl n LYS 622 N 0.20 -3.24 -4.45 5.31 5.02 -1.10 -4.97 118.16 114.93 3gtl n LYS 622 Ca 0.06 0.48 -0.21 0.00 -2.02 0.00 0.00 58.31 56.62 3gtl n LYS 622 Cb 0.30 -4.63 -0.10 0.00 -0.02 0.00 0.00 35.03 30.57 3gtl n LYS 622 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3gtl s GLU 623 N -6.22 1.65 -0.30 1.97 2.02 -1.25 -2.71 118.70 113.86 3gtl s GLU 623 Ca 0.12 -1.92 -0.03 0.00 0.02 0.00 0.00 54.97 53.15 3gtl s GLU 623 Cb -0.04 -0.82 0.19 0.00 0.10 0.00 0.00 34.13 33.55 3gtl s GLU 623 CO 0.86 -0.21 0.71 -1.17 0.02 0.00 0.00 175.26 175.47 3gtl s LEU 624 N -3.48 -1.18 -0.17 1.80 2.96 -1.12 -2.48 118.68 115.01 3gtl s LEU 624 Ca 0.36 0.68 -0.06 0.00 -0.22 0.00 0.00 54.13 54.90 3gtl s LEU 624 Cb 0.08 1.96 -0.03 0.00 0.50 0.00 0.00 46.19 48.70 3gtl s LEU 624 CO 0.15 -0.22 0.01 -0.54 -1.32 0.00 0.00 176.35 174.44 3gtl s LYS 625 N 2.88 3.81 -0.23 1.98 1.02 -1.17 -0.11 119.74 127.93 3gtl s LYS 625 Ca 0.15 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.65 3gtl s LYS 625 Cb -0.13 -3.07 -0.03 0.00 -0.52 0.00 0.00 37.83 34.08 3gtl s LYS 625 CO -0.19 0.23 0.03 0.42 -0.92 0.00 0.00 175.35 174.93 3gtl s ILE 626 N 0.43 4.10 0.00 2.17 1.09 -0.83 -1.11 121.20 127.05 3gtl s ILE 626 Ca -0.00 -0.25 0.00 0.00 -1.10 0.00 0.00 60.65 59.30 3gtl s ILE 626 Cb -0.13 -2.89 -0.04 0.00 -1.06 0.00 0.00 42.46 38.34 3gtl s ILE 626 CO 0.02 0.39 0.06 -0.36 -0.10 0.00 0.00 174.94 174.94 3gtl s PHE 627 N 1.33 3.21 0.00 3.97 0.40 -0.10 -2.25 117.98 124.54 3gtl s PHE 627 Ca 0.04 0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.54 3gtl s PHE 627 Cb -0.15 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.67 3gtl s PHE 627 CO 0.02 0.52 0.66 2.41 0.70 0.00 0.00 175.22 179.53 3gtl n THR 628 N 1.20 0.00 -0.55 0.64 -1.04 -1.26 -3.16 114.28 110.12 3gtl n THR 628 Ca -0.13 0.00 -0.28 0.00 -2.04 0.00 0.00 64.05 61.59 3gtl n THR 628 Cb 0.53 0.79 0.25 0.00 -1.82 0.00 0.00 70.33 70.07 3gtl n THR 628 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtl s ASP 629 N -0.34 0.97 -0.83 8.00 3.68 -1.26 -3.56 116.67 123.33 3gtl s ASP 629 Ca 0.00 1.53 -0.02 0.00 2.13 0.00 0.00 52.55 56.19 3gtl s ASP 629 Cb 0.00 -2.31 0.27 0.00 -1.45 0.00 0.00 42.92 39.43 3gtl s ASP 629 CO 0.00 -4.21 2.18 0.00 0.13 0.00 0.00 175.17 173.27 3gtl n ALA 630 N -4.92 6.45 0.00 3.66 0.00 -1.26 -4.20 120.51 120.24 3gtl n ALA 630 Ca 0.03 -3.97 0.00 0.00 0.00 0.00 0.00 53.44 49.50 3gtl n ALA 630 Cb 0.54 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.88 3gtl n ALA 630 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gtl n GLY 631 N -0.00 0.00 3.75 0.00 0.00 -1.21 -4.78 105.19 102.95 3gtl n GLY 631 Ca 0.52 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.14 3gtl n GLY 631 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gtl s ARG 632 N 0.00 4.58 0.36 1.61 0.52 -1.26 -1.94 118.95 122.82 3gtl s ARG 632 Ca 0.00 1.84 -0.09 0.00 -0.52 0.00 0.00 55.73 56.95 3gtl s ARG 632 Cb 0.00 -3.21 -0.06 0.00 0.52 0.00 0.00 34.95 32.20 3gtl s ARG 632 CO 0.00 0.09 0.71 0.08 0.02 0.00 0.00 175.30 176.19 3gtl s VAL 633 N -0.74 4.84 0.10 3.52 1.01 -1.26 0.97 120.40 128.84 3gtl s VAL 633 Ca 0.48 0.50 -0.26 0.00 0.00 0.00 0.00 61.98 62.70 3gtl s VAL 633 Cb -0.32 -3.72 0.08 0.00 0.00 0.00 0.00 36.38 32.42 3gtl s VAL 633 CO 0.40 -0.43 0.93 -0.72 0.00 0.00 0.00 175.10 175.28 3gtl s TYR 634 N -2.25 -0.21 -0.23 5.22 -0.85 -1.06 -3.94 117.35 114.03 3gtl s TYR 634 Ca 0.50 -0.03 -0.11 0.00 -0.52 0.00 0.00 57.07 56.90 3gtl s TYR 634 Cb -0.10 0.60 0.08 0.00 0.38 0.00 0.00 41.96 42.92 3gtl s TYR 634 CO 0.29 -0.73 0.55 -0.98 -1.52 0.00 0.00 175.55 173.16 3gtl s ARG 635 N -3.24 0.52 0.00 -3.49 3.03 -0.63 -2.66 118.95 112.48 3gtl s ARG 635 Ca 0.10 1.08 0.00 0.00 2.03 0.00 0.00 55.73 58.94 3gtl s ARG 635 Cb -0.01 0.22 0.00 0.00 -1.03 0.00 0.00 34.95 34.13 3gtl s ARG 635 CO -0.02 -0.18 0.00 -2.30 -1.13 0.00 0.00 175.30 171.67 3gtl n PRO 636 N 4.64 0.00 0.00 3.89 -0.02 -1.26 -3.65 135.00 138.60 3gtl n PRO 636 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.30 3gtl n PRO 636 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.03 3gtl n PRO 636 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 3gtl n LEU 637 N 0.00 0.00 0.00 2.45 -0.00 0.49 0.91 117.00 120.85 3gtl n LEU 637 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3gtl n LEU 637 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3gtl n LEU 637 CO 0.00 0.00 0.00 0.49 -0.00 0.00 0.00 177.39 177.88 3gtl n PHE 638 N 0.00 -1.85 -3.63 1.47 0.99 -1.25 0.47 117.46 113.66 3gtl n PHE 638 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.45 57.30 3gtl n PHE 638 Cb 0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 39.48 38.41 3gtl n PHE 638 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.76 177.18 3gtl s ILE 639 N -0.48 0.03 -0.10 4.37 1.01 -1.17 -4.15 121.20 120.70 3gtl s ILE 639 Ca 0.00 -0.25 0.22 0.00 0.00 0.00 0.00 60.65 60.62 3gtl s ILE 639 Cb 0.00 -0.84 0.41 0.00 0.01 0.00 0.00 42.46 42.05 3gtl s ILE 639 CO 0.00 -0.14 1.16 0.52 0.00 0.00 0.00 174.94 176.48 3gtl n VAL 640 N 0.97 0.40 -1.26 2.92 0.31 0.12 -1.76 118.33 120.03 3gtl n VAL 640 Ca -0.20 -1.52 -0.36 0.00 -0.01 0.00 0.00 64.34 62.25 3gtl n VAL 640 Cb 0.57 1.05 0.08 0.00 -0.91 0.00 0.00 33.84 34.63 3gtl n VAL 640 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3gtl n GLU 641 N -0.01 0.33 0.00 5.55 4.07 -1.25 -4.28 120.64 125.05 3gtl n GLU 641 Ca 0.02 0.16 0.00 0.00 -0.06 0.00 0.00 57.16 57.28 3gtl n GLU 641 Cb 0.98 -1.98 0.00 0.00 -0.06 0.00 0.00 31.44 30.38 3gtl n GLU 641 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 3gtl n ASP 642 N -0.90 1.24 -3.49 4.31 5.68 -1.26 -3.86 116.55 118.27 3gtl n ASP 642 Ca 0.11 -1.01 -0.37 0.00 -0.50 0.00 0.00 54.79 53.02 3gtl n ASP 642 Cb 0.50 -0.25 -0.03 0.00 -1.14 0.00 0.00 41.12 40.20 3gtl n ASP 642 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3gtl n ASP 643 N 0.61 4.28 -3.84 -1.12 8.00 -1.26 -4.73 116.55 118.49 3gtl n ASP 643 Ca 0.00 -2.61 -0.23 0.00 0.71 0.00 0.00 54.79 52.66 3gtl n ASP 643 Cb 0.22 -1.30 -0.17 0.00 -0.02 0.00 0.00 41.12 39.85 3gtl n ASP 643 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3gtl s GLU 644 N 3.79 0.93 0.03 -1.24 0.41 -1.26 -4.94 118.70 116.42 3gtl s GLU 644 Ca 0.52 -0.05 -0.27 0.00 -0.41 0.00 0.00 54.97 54.75 3gtl s GLU 644 Cb 0.14 -1.10 -0.15 0.00 -1.78 0.00 0.00 34.13 31.24 3gtl s GLU 644 CO 0.01 -0.22 1.30 1.03 -0.49 0.00 0.00 175.26 176.89 3gtl h SER 645 N 7.94 -0.83 -3.78 -0.19 0.87 -1.92 -3.38 113.55 112.27 3gtl h SER 645 Ca -0.27 0.03 -0.73 0.00 -1.23 0.00 0.00 61.79 59.59 3gtl h SER 645 Cb 1.14 0.21 -0.31 0.00 -0.44 0.00 0.00 62.40 63.00 3gtl h SER 645 CO 0.36 -0.55 -0.25 -0.76 -0.53 0.00 0.00 176.83 175.10 3gtl s LEU 646 N -8.67 5.81 0.00 2.23 1.43 -1.26 -4.96 118.68 113.26 3gtl s LEU 646 Ca -0.14 -2.50 0.00 0.00 -1.03 0.00 0.00 54.13 50.45 3gtl s LEU 646 Cb 0.01 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.23 3gtl s LEU 646 CO 0.43 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 177.09 3gtl n GLY 647 N 4.08 1.65 7.00 -3.19 0.00 -1.26 -5.12 105.19 108.35 3gtl n GLY 647 Ca 0.04 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.15 3gtl n GLY 647 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3gtl n HIS 648 N 1.19 -0.39 -4.19 1.61 1.44 -1.26 -4.69 115.22 108.93 3gtl n HIS 648 Ca 0.00 0.00 -0.35 0.00 -2.01 0.00 0.00 57.72 55.36 3gtl n HIS 648 Cb 0.00 0.10 -0.10 0.00 0.12 0.00 0.00 29.99 30.11 3gtl n HIS 648 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 3gtl s LYS 649 N 0.00 3.53 0.13 -1.40 2.20 -1.26 -4.28 119.74 118.66 3gtl s LYS 649 Ca 0.00 -0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.20 3gtl s LYS 649 Cb 0.00 -3.01 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 3gtl s LYS 649 CO 0.00 0.47 0.11 -2.00 -0.36 0.00 0.00 175.35 173.56 3gtl s GLU 650 N -0.20 0.95 0.51 4.03 2.56 -1.25 -5.00 118.70 120.29 3gtl s GLU 650 Ca 0.06 -1.34 -0.23 0.00 0.00 0.00 0.00 54.97 53.46 3gtl s GLU 650 Cb -0.12 0.28 -0.06 0.00 2.00 0.00 0.00 34.13 36.22 3gtl s GLU 650 CO 0.02 -0.29 1.36 -0.51 -0.56 0.00 0.00 175.26 175.28 3gtl s LEU 651 N -3.01 3.95 -0.00 2.70 1.43 -1.26 -3.91 118.68 118.58 3gtl s LEU 651 Ca 0.20 2.78 -0.04 0.00 -1.03 0.00 0.00 54.13 56.04 3gtl s LEU 651 Cb 0.06 -4.15 -0.02 0.00 0.03 0.00 0.00 46.19 42.11 3gtl s LEU 651 CO -0.00 -1.38 0.62 0.11 0.23 0.00 0.00 176.35 175.93 3gtl h LYS 652 N 1.81 -0.15 -6.23 1.70 1.57 -1.64 -3.45 116.57 110.18 3gtl h LYS 652 Ca -0.51 0.01 -0.69 0.00 -1.87 0.00 0.00 60.65 57.59 3gtl h LYS 652 Cb 1.28 0.03 0.06 0.00 0.08 0.00 0.00 32.23 33.69 3gtl h LYS 652 CO 0.59 -0.10 0.30 0.28 -0.57 0.00 0.00 179.45 179.95 3gtl n VAL 653 N -2.66 0.33 -4.39 0.50 0.31 -1.26 -4.98 118.33 106.18 3gtl n VAL 653 Ca -0.02 -0.08 -0.29 0.00 -0.01 0.00 0.00 64.34 63.94 3gtl n VAL 653 Cb 0.06 -0.65 -0.06 0.00 -0.91 0.00 0.00 33.84 32.27 3gtl n VAL 653 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtl s ARG 654 N 0.10 2.19 0.47 5.55 1.81 -1.26 -4.28 118.95 123.53 3gtl s ARG 654 Ca 0.82 -2.15 0.20 0.00 -1.72 0.00 0.00 55.73 52.88 3gtl s ARG 654 Cb -0.98 -1.79 1.20 0.00 -0.45 0.00 0.00 34.95 32.94 3gtl s ARG 654 CO 0.50 -0.33 1.96 -0.22 -0.68 0.00 0.00 175.30 176.53 3gtl h LYS 655 N 1.27 0.22 0.19 3.54 3.64 0.74 -2.29 116.57 123.89 3gtl h LYS 655 Ca -0.42 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.95 3gtl h LYS 655 Cb 1.29 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3gtl h LYS 655 CO 0.70 0.15 -0.45 0.78 -2.27 0.00 0.00 179.45 178.36 3gtl h GLY 656 N 0.23 -1.18 0.97 5.01 0.00 -1.63 -2.47 103.07 104.00 3gtl h GLY 656 Ca 0.31 0.61 0.12 0.00 0.00 0.00 0.00 47.33 48.37 3gtl h GLY 656 CO -0.06 -0.31 0.40 0.45 0.00 0.00 0.00 176.54 177.01 3gtl h HIS 657 N -0.70 0.30 -0.29 5.60 3.86 -1.68 -0.08 115.15 122.15 3gtl h HIS 657 Ca -0.02 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.22 3gtl h HIS 657 Cb 0.68 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.02 3gtl h HIS 657 CO -0.38 0.13 0.13 0.97 0.86 0.00 0.00 177.93 179.65 3gtl h ILE 658 N 0.27 0.97 -0.40 2.45 6.09 -1.35 -2.79 117.51 122.76 3gtl h ILE 658 Ca 0.28 -0.10 -0.05 0.00 -1.37 0.00 0.00 64.86 63.62 3gtl h ILE 658 Cb 0.73 0.66 -0.02 0.00 0.47 0.00 0.00 36.82 38.66 3gtl h ILE 658 CO -0.06 0.05 0.06 0.00 -3.07 0.00 0.00 178.15 175.13 3gtl h ALA 659 N 1.16 0.53 -0.22 0.18 0.00 -0.79 -1.09 119.26 119.03 3gtl h ALA 659 Ca 0.12 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.88 3gtl h ALA 659 Cb 0.06 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 3gtl h ALA 659 CO -0.10 0.24 0.19 0.87 0.00 0.00 0.00 179.25 180.45 3gtl h LYS 660 N 0.50 0.00 0.00 0.00 1.57 -1.50 0.22 116.57 117.37 3gtl h LYS 660 Ca 0.12 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.90 3gtl h LYS 660 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3gtl h LYS 660 CO 0.01 0.00 -0.16 -0.07 -0.57 0.00 0.00 179.45 178.66 3gtl h LEU 661 N 0.00 0.00 -3.08 2.94 3.38 -0.96 -3.13 115.31 114.46 3gtl h LEU 661 Ca 0.10 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3gtl h LEU 661 Cb 0.48 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3gtl h LEU 661 CO -0.00 0.00 0.00 0.23 0.09 0.00 0.00 178.44 178.76 3gtl n MET 662 N -3.01 3.56 0.07 1.13 2.81 0.67 -3.72 117.12 118.63 3gtl n MET 662 Ca 0.03 -2.84 0.07 0.00 -1.81 0.00 0.00 57.70 53.16 3gtl n MET 662 Cb 0.53 -1.83 -0.04 0.00 -0.71 0.00 0.00 33.22 31.17 3gtl n MET 662 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3gtl n ALA 663 N 1.14 2.31 0.58 3.04 0.00 -0.63 -3.74 120.51 123.21 3gtl n ALA 663 Ca 0.25 -0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.43 3gtl n ALA 663 Cb 0.84 -1.02 0.12 0.00 0.00 0.00 0.00 19.45 19.39 3gtl n ALA 663 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gtl n THR 664 N -2.73 0.28 -0.04 0.00 -1.04 -1.24 -3.15 114.28 106.36 3gtl n THR 664 Ca -0.04 -0.26 -0.01 0.00 -2.04 0.00 0.00 64.05 61.70 3gtl n THR 664 Cb 0.66 -0.01 -0.00 0.00 -1.82 0.00 0.00 70.33 69.17 3gtl n THR 664 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3gtl h GLU 665 N 0.00 0.00 -0.95 -2.82 5.08 -1.72 -3.39 114.58 110.78 3gtl h GLU 665 Ca 0.00 0.00 0.29 0.00 -1.00 0.00 0.00 59.36 58.65 3gtl h GLU 665 Cb 0.73 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 29.83 3gtl h GLU 665 CO 0.00 0.00 0.38 -0.92 -1.00 0.00 0.00 179.01 177.47 3gtl h TYR 666 N -0.67 0.59 -3.69 4.33 3.20 -1.71 -2.58 116.97 116.44 3gtl h TYR 666 Ca 0.00 0.05 -0.77 0.00 3.14 0.00 0.00 58.73 61.15 3gtl h TYR 666 Cb 0.09 -0.10 -0.29 0.00 1.54 0.00 0.00 36.73 37.97 3gtl h TYR 666 CO -0.04 -0.25 0.07 -1.14 -1.64 0.00 0.00 178.16 175.16 3gtl s GLN 667 N -5.79 3.51 -0.18 1.82 0.74 -1.19 -5.13 119.66 113.44 3gtl s GLN 667 Ca -0.11 -2.70 -0.19 0.00 0.05 0.00 0.00 55.36 52.41 3gtl s GLN 667 Cb 0.29 -4.29 0.05 0.00 1.10 0.00 0.00 33.01 30.16 3gtl s GLN 667 CO 0.78 -1.26 0.53 0.34 -0.55 0.00 0.00 175.29 175.13 3gtl s ASP 668 N 1.53 -0.55 0.00 6.67 -1.08 -0.98 -4.73 116.67 117.54 3gtl s ASP 668 Ca 0.21 1.01 0.00 0.00 -0.52 0.00 0.00 52.55 53.25 3gtl s ASP 668 Cb -0.12 1.02 0.00 0.00 -1.46 0.00 0.00 42.92 42.37 3gtl s ASP 668 CO -0.08 -0.22 0.00 -1.84 0.52 0.00 0.00 175.17 173.55 3gtl n GLU 678 N 2.60 0.00 -3.02 4.34 0.28 -1.26 -5.09 120.64 118.50 3gtl n GLU 678 Ca -0.14 0.00 -0.44 0.00 -0.16 0.00 0.00 57.16 56.42 3gtl n GLU 678 Cb 0.56 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.39 3gtl n GLU 678 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 177.13 176.50 3gtl s TYR 679 N -1.29 2.94 0.20 -1.84 5.04 -1.26 -4.90 117.35 116.24 3gtl s TYR 679 Ca 0.00 -0.92 0.02 0.00 -2.44 0.00 0.00 57.07 53.73 3gtl s TYR 679 Cb 0.00 -4.13 0.02 0.00 0.35 0.00 0.00 41.96 38.21 3gtl s TYR 679 CO 0.00 -1.42 0.19 0.25 -1.34 0.00 0.00 175.55 173.24 3gtl n THR 680 N 5.60 0.00 -0.16 4.34 -2.24 -1.26 -4.58 114.28 115.98 3gtl n THR 680 Ca -0.03 -0.74 -0.08 0.00 -2.27 0.00 0.00 64.05 60.93 3gtl n THR 680 Cb 0.44 -0.51 0.01 0.00 -2.10 0.00 0.00 70.33 68.17 3gtl n THR 680 CO 0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 175.07 174.25 3gtl h TRP 681 N 0.37 0.65 -0.53 4.78 2.91 -1.96 -2.53 115.95 119.63 3gtl h TRP 681 Ca -0.11 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.88 3gtl h TRP 681 Cb 0.45 -0.21 -0.03 0.00 -0.51 0.00 0.00 29.16 28.86 3gtl h TRP 681 CO 0.00 0.48 0.30 0.77 -1.03 0.00 0.00 178.44 178.96 3gtl h SER 682 N 0.62 0.65 0.52 2.65 0.02 -1.95 -1.34 113.55 114.72 3gtl h SER 682 Ca 0.17 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.04 3gtl h SER 682 Cb 0.04 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3gtl h SER 682 CO -0.03 0.52 -0.19 0.77 -1.14 0.00 0.00 176.83 176.76 3gtl h SER 683 N 0.74 0.00 -0.15 3.07 4.64 -1.81 -1.50 113.55 118.54 3gtl h SER 683 Ca 0.19 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.33 3gtl h SER 683 Cb 0.01 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.11 3gtl h SER 683 CO -0.03 0.19 -0.60 -0.07 -0.87 0.00 0.00 176.83 175.44 3gtl h LEU 684 N 0.00 0.80 -1.03 5.97 3.38 -0.90 -3.12 115.31 120.40 3gtl h LEU 684 Ca -0.00 -0.61 -0.10 0.00 0.09 0.00 0.00 57.88 57.25 3gtl h LEU 684 Cb 0.50 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3gtl h LEU 684 CO 0.02 1.28 -0.43 0.25 0.09 0.00 0.00 178.44 179.65 3gtl h LEU 685 N 0.36 0.11 0.00 1.67 5.85 -0.37 -0.10 115.31 122.84 3gtl h LEU 685 Ca -0.03 -0.05 -0.30 0.00 0.84 0.00 0.00 57.88 58.34 3gtl h LEU 685 Cb 1.23 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.18 3gtl h LEU 685 CO 0.13 0.53 -1.76 0.59 -0.34 0.00 0.00 178.44 177.59 3gtl n ASN 686 N -4.02 0.85 0.12 1.25 3.02 -0.65 -3.34 115.26 112.50 3gtl n ASN 686 Ca -0.02 0.38 0.12 0.00 -0.03 0.00 0.00 54.58 55.04 3gtl n ASN 686 Cb 0.47 -0.01 0.48 0.00 -0.61 0.00 0.00 39.78 40.11 3gtl n ASN 686 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3gtl n GLU 687 N -3.04 0.20 -2.05 3.52 1.02 -1.13 -4.22 120.64 114.95 3gtl n GLU 687 Ca -0.18 0.39 -0.00 0.00 -0.02 0.00 0.00 57.16 57.34 3gtl n GLU 687 Cb 1.06 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.62 3gtl n GLU 687 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3gtl n GLY 688 N 0.20 -0.66 0.00 0.62 0.00 -0.13 -4.93 105.19 100.29 3gtl n GLY 688 Ca 0.03 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3gtl n GLY 688 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtl n LEU 689 N -1.20 0.00 -4.33 0.99 4.77 -0.75 -4.94 117.00 111.54 3gtl n LEU 689 Ca 0.00 -0.19 -0.17 0.00 -0.03 0.00 0.00 56.01 55.63 3gtl n LEU 689 Cb 0.47 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 3gtl n LEU 689 CO 0.19 0.00 -0.31 -0.69 -1.33 0.00 0.00 177.39 175.25 3gtl s VAL 690 N -0.83 0.91 -0.27 4.08 1.01 -1.25 -3.07 120.40 120.98 3gtl s VAL 690 Ca 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 61.98 59.88 3gtl s VAL 690 Cb 0.00 -2.43 0.12 0.00 0.00 0.00 0.00 36.38 34.07 3gtl s VAL 690 CO 0.00 -0.24 0.57 -1.61 0.00 0.00 0.00 175.10 173.82 3gtl s GLU 691 N -3.91 0.49 0.17 2.72 2.02 1.68 -4.84 118.70 117.04 3gtl s GLU 691 Ca 0.31 1.31 -0.32 0.00 0.02 0.00 0.00 54.97 56.29 3gtl s GLU 691 Cb 0.07 0.69 -0.12 0.00 0.10 0.00 0.00 34.13 34.86 3gtl s GLU 691 CO 0.10 -0.22 1.73 0.66 0.02 0.00 0.00 175.26 177.54 3gtl n TYR 692 N 5.43 2.62 -4.38 1.61 0.53 -1.19 -0.38 117.16 121.41 3gtl n TYR 692 Ca -0.11 0.04 -0.23 0.00 -1.02 0.00 0.00 57.90 56.58 3gtl n TYR 692 Cb 0.49 -2.66 -0.16 0.00 -1.03 0.00 0.00 39.34 35.97 3gtl n TYR 692 CO 0.00 0.00 0.00 0.42 -1.02 0.00 0.00 176.86 176.26 3gtl s ILE 693 N 1.55 0.87 0.39 -0.72 -1.09 0.26 -4.86 121.20 117.60 3gtl s ILE 693 Ca 0.78 -0.31 0.08 0.00 -2.23 0.00 0.00 60.65 58.96 3gtl s ILE 693 Cb -0.54 -0.83 -0.03 0.00 -1.58 0.00 0.00 42.46 39.48 3gtl s ILE 693 CO 0.35 0.30 0.30 1.51 -1.23 0.00 0.00 174.94 176.17 3gtl s ASP 694 N 0.81 4.94 0.11 3.58 -4.77 -1.26 -1.60 116.67 118.48 3gtl s ASP 694 Ca -0.12 -0.77 -0.23 0.00 -3.30 0.00 0.00 52.55 48.13 3gtl s ASP 694 Cb -0.15 -0.63 -0.07 0.00 -1.09 0.00 0.00 42.92 40.97 3gtl s ASP 694 CO 0.02 -0.55 1.69 0.00 0.70 0.00 0.00 175.17 177.03 3gtl h ALA 695 N 1.19 -0.07 -0.60 2.11 0.00 -1.91 0.45 119.26 120.43 3gtl h ALA 695 Ca -0.42 0.02 0.08 0.00 0.00 0.00 0.00 54.91 54.59 3gtl h ALA 695 Cb 1.26 0.19 -0.10 0.00 0.00 0.00 0.00 17.79 19.14 3gtl h ALA 695 CO 0.60 -0.57 -0.51 1.49 0.00 0.00 0.00 179.25 180.26 3gtl h GLU 696 N -0.14 -0.24 -0.84 0.00 4.57 -1.90 0.27 114.58 116.30 3gtl h GLU 696 Ca 0.05 0.02 0.05 0.00 -1.18 0.00 0.00 59.36 58.30 3gtl h GLU 696 Cb 0.22 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 28.81 3gtl h GLU 696 CO -0.13 -0.16 0.55 1.49 -1.18 0.00 0.00 179.01 179.58 3gtl h GLU 697 N -0.24 0.97 -1.04 1.92 4.81 -1.79 -2.76 114.58 116.44 3gtl h GLU 697 Ca 0.14 -0.06 0.27 0.00 -0.13 0.00 0.00 59.36 59.59 3gtl h GLU 697 Cb 0.55 -0.22 -0.11 0.00 0.63 0.00 0.00 28.75 29.60 3gtl h GLU 697 CO -0.71 0.64 0.65 1.49 -0.73 0.00 0.00 179.01 180.35 3gtl h GLU 698 N 0.99 0.42 -1.47 1.92 4.81 0.21 -1.59 114.58 119.87 3gtl h GLU 698 Ca 0.34 -0.03 0.43 0.00 -0.13 0.00 0.00 59.36 59.98 3gtl h GLU 698 Cb 0.11 -0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.33 3gtl h GLU 698 CO -0.11 0.28 1.05 0.93 -0.73 0.00 0.00 179.01 180.43 3gtl h GLU 699 N 0.43 0.01 -0.54 1.92 4.39 -1.31 -1.89 114.58 117.60 3gtl h GLU 699 Ca 0.63 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.33 3gtl h GLU 699 Cb 1.49 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.14 3gtl h GLU 699 CO -0.38 0.01 0.00 -1.13 -1.16 0.00 0.00 179.01 176.34 3gtl n SER 700 N -4.11 3.55 -4.88 1.42 3.41 -0.60 -4.99 113.62 107.42 3gtl n SER 700 Ca 0.33 -2.07 -0.27 0.00 -0.26 0.00 0.00 58.87 56.60 3gtl n SER 700 Cb 1.52 -0.38 -0.02 0.00 -0.26 0.00 0.00 64.21 65.07 3gtl n SER 700 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 3gtl s ILE 701 N -1.12 1.65 -0.38 -1.33 -4.36 -0.71 -5.08 121.20 109.87 3gtl s ILE 701 Ca 0.37 -1.54 0.02 0.00 -0.26 0.00 0.00 60.65 59.24 3gtl s ILE 701 Cb 0.20 -2.20 0.15 0.00 1.25 0.00 0.00 42.46 41.87 3gtl s ILE 701 CO 0.24 0.00 0.32 -0.22 0.24 0.00 0.00 174.94 175.52 3gtl s LEU 702 N -4.22 0.56 0.15 0.37 2.96 -1.26 -5.02 118.68 112.21 3gtl s LEU 702 Ca 0.32 -2.13 -0.30 0.00 -0.22 0.00 0.00 54.13 51.80 3gtl s LEU 702 Cb -0.02 0.06 -0.07 0.00 0.50 0.00 0.00 46.19 46.66 3gtl s LEU 702 CO 0.20 -0.25 1.22 -0.63 -1.32 0.00 0.00 176.35 175.57 3gtl s ILE 703 N 0.99 3.64 0.20 6.68 1.01 -1.26 -3.28 121.20 129.19 3gtl s ILE 703 Ca 0.21 1.30 -0.08 0.00 0.00 0.00 0.00 60.65 62.08 3gtl s ILE 703 Cb -0.14 -3.83 -0.07 0.00 0.01 0.00 0.00 42.46 38.43 3gtl s ILE 703 CO -0.05 0.17 0.50 0.00 0.00 0.00 0.00 174.94 175.57 3gtl s ALA 704 N 0.35 3.63 -0.06 9.38 0.00 0.05 -4.91 121.76 130.21 3gtl s ALA 704 Ca 0.56 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.13 3gtl s ALA 704 Cb -0.32 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.43 3gtl s ALA 704 CO 0.34 0.55 -0.08 -0.12 0.00 0.00 0.00 175.76 176.45 3gtl n MET 705 N -0.04 0.19 -2.90 0.00 1.56 -1.26 -0.01 117.12 114.66 3gtl n MET 705 Ca -0.01 0.33 -0.41 0.00 -0.27 0.00 0.00 57.70 57.35 3gtl n MET 705 Cb 0.52 -1.11 -0.04 0.00 2.15 0.00 0.00 33.22 34.74 3gtl n MET 705 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 3gtl s GLN 706 N -1.54 4.31 0.00 2.12 -0.21 -1.26 -4.44 119.66 118.64 3gtl s GLN 706 Ca -0.07 1.01 0.26 0.00 0.02 0.00 0.00 55.36 56.58 3gtl s GLN 706 Cb 0.01 -3.56 1.24 0.00 1.00 0.00 0.00 33.01 31.70 3gtl s GLN 706 CO 0.10 -0.30 1.87 -0.35 -2.12 0.00 0.00 175.29 174.49 3gtl n PRO 707 N 5.12 0.22 0.00 2.91 -0.04 -1.26 -3.44 135.00 138.50 3gtl n PRO 707 Ca 0.04 0.04 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 3gtl n PRO 707 Cb 0.49 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.45 3gtl n PRO 707 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3gtl n GLU 708 N -1.38 0.00 -0.09 0.54 0.28 -1.26 -4.64 120.64 114.09 3gtl n GLU 708 Ca 0.10 0.00 0.07 0.00 -0.16 0.00 0.00 57.16 57.17 3gtl n GLU 708 Cb 0.25 0.00 0.10 0.00 1.43 0.00 0.00 31.44 33.22 3gtl n GLU 708 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3gtl n ASP 709 N 0.00 0.00 -1.07 -1.84 10.43 -1.26 -0.70 116.55 122.11 3gtl n ASP 709 Ca 0.00 0.13 0.06 0.00 2.57 0.00 0.00 54.79 57.55 3gtl n ASP 709 Cb 0.00 -0.06 0.22 0.00 1.84 0.00 0.00 41.12 43.12 3gtl n ASP 709 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 3gtl n LEU 710 N -2.28 3.09 -0.25 0.64 7.99 -1.22 -4.34 117.00 120.63 3gtl n LEU 710 Ca 0.06 -1.55 0.00 0.00 -0.01 0.00 0.00 56.01 54.50 3gtl n LEU 710 Cb 0.25 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 3gtl n LEU 710 CO 0.05 0.56 0.13 -1.84 -1.51 0.00 0.00 177.39 174.79 3gtl n GLU 711 N 0.66 0.00 -0.17 3.23 0.28 0.12 -4.92 120.64 119.86 3gtl n GLU 711 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 3gtl n GLU 711 Cb 0.58 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.45 3gtl n GLU 711 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3gtl n PRO 712 N 0.00 1.03 -0.77 3.44 -0.05 -1.24 -4.96 135.00 132.45 3gtl n PRO 712 Ca 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 63.50 63.16 3gtl n PRO 712 Cb 0.35 0.00 0.20 0.00 -0.05 0.00 0.00 33.50 34.00 3gtl n PRO 712 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gtl s ALA 713 N -3.31 0.45 -0.59 0.55 0.00 -1.26 -5.02 121.76 112.58 3gtl s ALA 713 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 51.96 52.03 3gtl s ALA 713 Cb 0.00 -3.26 0.29 0.00 0.00 0.00 0.00 23.12 20.14 3gtl s ALA 713 CO 0.00 -3.24 0.80 0.39 0.00 0.00 0.00 175.76 173.72 3gtl n GLU 714 N -4.51 2.59 0.00 0.00 -0.58 -1.26 -5.11 120.64 111.78 3gtl n GLU 714 Ca 0.06 -4.59 0.00 0.00 -0.42 0.00 0.00 57.16 52.21 3gtl n GLU 714 Cb 0.54 -2.15 0.00 0.00 -0.57 0.00 0.00 31.44 29.26 3gtl n GLU 714 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gtl n ALA 715 N 0.47 -0.03 0.00 0.62 0.00 -1.26 -5.30 120.51 115.01 3gtl n ALA 715 Ca 0.29 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.73 3gtl n ALA 715 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 3gtl n ALA 715 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3gtl n ASP 722 N -0.62 0.00 -3.42 0.00 5.75 -1.26 -5.37 116.55 111.64 3gtl n ASP 722 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 54.79 54.52 3gtl n ASP 722 Cb 0.00 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 39.98 3gtl n ASP 722 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 3gtl s VAL 723 N -1.04 0.08 -0.49 2.12 -7.23 -1.26 -5.12 120.40 107.46 3gtl s VAL 723 Ca 0.00 -1.79 -0.44 0.00 -1.81 0.00 0.00 61.98 57.94 3gtl s VAL 723 Cb 0.00 -1.05 -0.19 0.00 0.56 0.00 0.00 36.38 35.70 3gtl s VAL 723 CO 0.00 -0.97 2.08 -0.67 -0.31 0.00 0.00 175.10 175.24 3gtl n ASP 724 N 3.78 0.89 0.05 4.85 2.03 -1.26 -4.81 116.55 122.08 3gtl n ASP 724 Ca 0.16 0.72 0.04 0.00 0.52 0.00 0.00 54.79 56.23 3gtl n ASP 724 Cb 0.41 -0.92 0.19 0.00 -0.72 0.00 0.00 41.12 40.08 3gtl n ASP 724 CO 0.00 0.00 0.00 -2.65 -1.92 0.00 0.00 177.20 172.63 3gtl n PRO 725 N 7.16 0.04 0.01 -0.67 -0.02 -1.26 -1.73 135.00 138.53 3gtl n PRO 725 Ca 0.51 0.53 -0.09 0.00 -2.02 0.00 0.00 63.50 62.44 3gtl n PRO 725 Cb -0.03 -1.67 -0.13 0.00 -0.02 0.00 0.00 33.50 31.65 3gtl n PRO 725 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gtl h ALA 726 N 1.92 0.61 -2.38 3.55 0.00 -2.04 -3.46 119.26 117.46 3gtl h ALA 726 Ca 0.00 -1.27 -0.54 0.00 0.00 0.00 0.00 54.91 53.10 3gtl h ALA 726 Cb 0.05 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3gtl h ALA 726 CO 0.00 1.46 0.97 0.15 0.00 0.00 0.00 179.25 181.82 3gtl s LYS 727 N -2.63 4.22 1.02 0.00 1.02 -0.70 -4.97 119.74 117.69 3gtl s LYS 727 Ca -0.03 2.18 -0.21 0.00 0.02 0.00 0.00 55.97 57.93 3gtl s LYS 727 Cb 0.09 -3.68 -0.07 0.00 -0.52 0.00 0.00 37.83 33.64 3gtl s LYS 727 CO 0.82 -0.71 -0.69 2.89 -0.92 0.00 0.00 175.35 176.74 3gtl n ARG 728 N 5.87 -0.45 -3.04 1.68 1.85 -1.26 -4.88 116.66 116.43 3gtl n ARG 728 Ca 0.15 -0.12 -0.44 0.00 -1.00 0.00 0.00 57.85 56.44 3gtl n ARG 728 Cb 0.42 -1.31 -0.04 0.00 -1.05 0.00 0.00 32.46 30.48 3gtl n ARG 728 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3gtl s ILE 729 N -2.12 4.68 -0.11 8.89 -1.09 -1.26 -5.02 121.20 125.17 3gtl s ILE 729 Ca 0.45 -0.74 -0.20 0.00 -2.23 0.00 0.00 60.65 57.93 3gtl s ILE 729 Cb -0.07 -4.53 -0.04 0.00 -1.58 0.00 0.00 42.46 36.25 3gtl s ILE 729 CO 0.70 -1.19 0.56 -0.60 -1.23 0.00 0.00 174.94 173.18 3gtl s ARG 730 N 3.09 4.37 0.00 2.79 3.52 -1.26 -5.04 118.95 126.42 3gtl s ARG 730 Ca 0.15 0.60 0.00 0.00 -0.13 0.00 0.00 55.73 56.35 3gtl s ARG 730 Cb -0.21 -3.45 0.00 0.00 -1.56 0.00 0.00 34.95 29.73 3gtl s ARG 730 CO 0.08 0.10 0.36 0.28 -0.81 0.00 0.00 175.30 175.32 3gtl n VAL 731 N 3.77 0.00 -3.12 7.11 0.31 -1.26 -5.04 118.33 120.10 3gtl n VAL 731 Ca -0.05 0.86 0.00 0.00 -0.01 0.00 0.00 64.34 65.15 3gtl n VAL 731 Cb 0.51 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.80 3gtl n VAL 731 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 3gtl n SER 732 N -0.53 0.00 0.01 4.52 7.64 -1.26 -5.01 113.62 118.99 3gtl n SER 732 Ca 0.00 0.00 0.11 0.00 1.01 0.00 0.00 58.87 59.99 3gtl n SER 732 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3gtl n SER 732 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3gtl n HIS 733 N 1.83 0.09 -0.19 1.43 -0.00 -1.26 -4.95 115.22 112.17 3gtl n HIS 733 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 3gtl n HIS 733 Cb 0.00 -0.30 0.00 0.00 -0.00 0.00 0.00 29.99 29.69 3gtl n HIS 733 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3gtl n HIS 734 N -1.88 0.00 -3.64 4.41 8.25 -1.26 -4.59 115.22 116.52 3gtl n HIS 734 Ca 0.01 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.40 3gtl n HIS 734 Cb 0.44 -0.12 -0.07 0.00 1.12 0.00 0.00 29.99 31.36 3gtl n HIS 734 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3gtl s ALA 735 N 0.38 -2.05 0.00 -1.41 0.00 -1.26 -5.06 121.76 112.36 3gtl s ALA 735 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 51.96 53.75 3gtl s ALA 735 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.65 3gtl s ALA 735 CO 0.00 -0.20 0.37 2.41 0.00 0.00 0.00 175.76 178.34 3gtl n THR 736 N 1.81 0.12 0.48 0.00 -1.04 -1.26 -4.76 114.28 109.63 3gtl n THR 736 Ca -0.11 -0.19 0.06 0.00 -2.04 0.00 0.00 64.05 61.77 3gtl n THR 736 Cb 0.56 1.32 0.04 0.00 -1.82 0.00 0.00 70.33 70.44 3gtl n THR 736 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 3gtl n THR 737 N -0.06 0.00 -0.91 12.58 -2.24 -1.26 -5.05 114.28 117.34 3gtl n THR 737 Ca 0.00 -0.49 -0.34 0.00 -2.27 0.00 0.00 64.05 60.95 3gtl n THR 737 Cb 0.31 1.23 -0.04 0.00 -2.10 0.00 0.00 70.33 69.73 3gtl n THR 737 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gtl n PHE 738 N 0.55 0.11 -0.06 4.78 0.99 -1.26 -4.88 117.46 117.69 3gtl n PHE 738 Ca 0.06 0.64 -0.10 0.00 -0.00 0.00 0.00 57.45 58.06 3gtl n PHE 738 Cb 0.28 -1.27 -0.05 0.00 -1.00 0.00 0.00 39.48 37.45 3gtl n PHE 738 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 3gtl n THR 739 N 0.55 0.62 -4.36 4.37 -2.24 -1.21 -4.77 114.28 107.26 3gtl n THR 739 Ca 0.12 -0.21 -0.25 0.00 -2.27 0.00 0.00 64.05 61.45 3gtl n THR 739 Cb 0.09 -1.21 -0.13 0.00 -2.10 0.00 0.00 70.33 66.99 3gtl n THR 739 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3gtl s HIS 740 N -2.21 1.86 0.30 4.78 3.76 -1.25 0.13 115.29 122.65 3gtl s HIS 740 Ca -0.15 -0.41 0.07 0.00 -0.15 0.00 0.00 55.06 54.42 3gtl s HIS 740 Cb 0.05 -1.03 -0.02 0.00 1.11 0.00 0.00 32.58 32.68 3gtl s HIS 740 CO 0.23 0.20 0.33 0.00 -0.85 0.00 0.00 174.74 174.65 3gtl s GLU 742 N -4.01 3.72 0.00 0.00 2.56 0.99 -3.84 118.70 118.12 3gtl s GLU 742 Ca 0.39 0.21 0.00 0.00 0.00 0.00 0.00 54.97 55.57 3gtl s GLU 742 Cb -0.08 -2.57 0.00 0.00 2.00 0.00 0.00 34.13 33.48 3gtl s GLU 742 CO 0.28 0.17 0.41 -0.89 -0.56 0.00 0.00 175.26 174.68 3gtl n ILE 743 N -0.81 0.00 -3.72 -3.70 2.08 -1.26 -4.79 119.36 107.15 3gtl n ILE 743 Ca 0.00 0.81 -0.12 0.00 0.56 0.00 0.00 62.75 64.00 3gtl n ILE 743 Cb 0.54 -1.61 -0.13 0.00 -0.75 0.00 0.00 39.64 37.69 3gtl n ILE 743 CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3gtl s HIS 744 N -1.40 -0.35 0.58 1.39 2.46 -1.26 -4.91 115.29 111.79 3gtl s HIS 744 Ca 0.00 0.83 0.28 0.00 0.47 0.00 0.00 55.06 56.64 3gtl s HIS 744 Cb 0.00 0.05 1.76 0.00 -0.13 0.00 0.00 32.58 34.26 3gtl s HIS 744 CO 0.00 -0.25 2.24 -1.35 -2.47 0.00 0.00 174.74 172.91 3gtl h PRO 745 N 7.32 0.00 0.00 2.88 0.11 -1.91 -0.72 132.00 139.68 3gtl h PRO 745 Ca -0.38 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.73 3gtl h PRO 745 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3gtl h PRO 745 CO 0.34 0.00 0.03 -1.13 -0.21 0.00 0.00 178.00 177.04 3gtl n SER 746 N -3.92 0.00 0.01 -2.05 3.41 -1.26 -2.06 113.62 107.75 3gtl n SER 746 Ca -0.03 0.29 0.11 0.00 -0.26 0.00 0.00 58.87 58.97 3gtl n SER 746 Cb 0.09 -0.29 -0.05 0.00 -0.26 0.00 0.00 64.21 63.70 3gtl n SER 746 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3gtl n MET 747 N -1.27 0.20 0.28 4.33 2.81 -0.28 -3.56 117.12 119.63 3gtl n MET 747 Ca 0.00 -0.03 0.19 0.00 -1.81 0.00 0.00 57.70 56.04 3gtl n MET 747 Cb 0.03 -1.53 0.99 0.00 -0.71 0.00 0.00 33.22 32.00 3gtl n MET 747 CO 0.00 0.00 0.00 -0.84 1.51 0.00 0.00 175.97 176.64 3gtl h ILE 748 N 0.00 0.00 -3.96 2.02 3.07 -1.64 -3.33 117.51 113.67 3gtl h ILE 748 Ca 0.00 0.00 -0.48 0.00 1.55 0.00 0.00 64.86 65.93 3gtl h ILE 748 Cb 0.65 0.81 0.02 0.00 -0.27 0.00 0.00 36.82 38.03 3gtl h ILE 748 CO 0.00 0.00 0.41 -0.76 -1.05 0.00 0.00 178.15 176.75 3gtl s LEU 749 N -5.57 4.15 -0.10 0.16 1.43 -1.23 -3.74 118.68 113.78 3gtl s LEU 749 Ca -0.04 2.05 -0.01 0.00 -1.03 0.00 0.00 54.13 55.09 3gtl s LEU 749 Cb 0.10 -4.17 -0.03 0.00 0.03 0.00 0.00 46.19 42.12 3gtl s LEU 749 CO 0.33 -0.49 -0.03 -0.83 0.23 0.00 0.00 176.35 175.56 3gtl s GLY 750 N -1.54 1.76 0.00 -3.19 0.00 -1.26 -1.85 107.32 101.24 3gtl s GLY 750 Ca 0.57 -0.84 0.00 0.00 0.00 0.00 0.00 44.72 44.46 3gtl s GLY 750 CO 0.28 -0.48 0.00 1.55 0.00 0.00 0.00 173.10 174.45 3gtl n VAL 751 N 2.50 0.00 -0.03 1.40 3.14 -1.26 -1.89 118.33 122.19 3gtl n VAL 751 Ca -0.18 0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.05 3gtl n VAL 751 Cb 0.53 0.00 -0.09 0.00 -1.06 0.00 0.00 33.84 33.23 3gtl n VAL 751 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3gtl h ALA 752 N 0.00 0.19 -0.19 1.55 0.00 -1.94 -2.50 119.26 116.37 3gtl h ALA 752 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 54.91 54.35 3gtl h ALA 752 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3gtl h ALA 752 CO 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 179.25 179.26 3gtl h ALA 753 N 0.48 1.17 0.00 0.00 0.00 -1.72 -2.77 119.26 116.42 3gtl h ALA 753 Ca -0.02 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.55 3gtl h ALA 753 Cb 1.04 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.72 3gtl h ALA 753 CO 0.08 0.53 0.00 0.43 0.00 0.00 0.00 179.25 180.30 3gtl n SER 754 N -4.12 0.00 0.01 0.00 7.64 -0.94 0.61 113.62 116.83 3gtl n SER 754 Ca -0.01 -0.53 0.11 0.00 1.01 0.00 0.00 58.87 59.45 3gtl n SER 754 Cb 0.41 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.54 3gtl n SER 754 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 3gtl n ILE 755 N -0.74 0.10 -2.64 0.44 2.08 -1.04 -4.17 119.36 113.39 3gtl n ILE 755 Ca 0.04 -0.28 -0.42 0.00 0.56 0.00 0.00 62.75 62.64 3gtl n ILE 755 Cb 0.02 0.29 -0.03 0.00 -0.75 0.00 0.00 39.64 39.17 3gtl n ILE 755 CO 0.00 0.00 0.00 -0.63 0.56 0.00 0.00 176.55 176.48 3gtl s ILE 756 N -3.26 4.68 -0.66 1.39 1.01 0.20 -4.79 121.20 119.78 3gtl s ILE 756 Ca 0.01 1.96 -0.27 0.00 0.00 0.00 0.00 60.65 62.35 3gtl s ILE 756 Cb 0.14 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.37 3gtl s ILE 756 CO 0.85 0.01 1.45 -2.16 0.00 0.00 0.00 174.94 175.09 3gtl s PRO 757 N 2.01 3.09 -0.32 2.79 0.04 -1.26 -3.92 135.00 137.43 3gtl s PRO 757 Ca 0.50 0.16 -0.12 0.00 0.04 0.00 0.00 61.00 61.58 3gtl s PRO 757 Cb -0.20 -4.21 0.01 0.00 0.04 0.00 0.00 34.50 30.15 3gtl s PRO 757 CO 0.19 -2.22 0.44 1.19 0.04 0.00 0.00 177.00 176.64 3gtl n PHE 758 N 10.21 -2.70 0.14 0.56 3.01 -1.07 -4.81 117.46 122.80 3gtl n PHE 758 Ca 0.10 1.09 -0.01 0.00 1.01 0.00 0.00 57.45 59.64 3gtl n PHE 758 Cb 0.50 -3.49 0.17 0.00 -0.01 0.00 0.00 39.48 36.65 3gtl n PHE 758 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 3gtl h PRO 759 N 1.57 0.00 0.00 -1.08 0.11 -1.88 -3.30 132.00 127.41 3gtl h PRO 759 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3gtl h PRO 759 Cb 0.73 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.84 3gtl h PRO 759 CO 0.15 0.61 0.00 0.38 -0.21 0.00 0.00 178.00 178.93 3gtl h ASP 760 N 0.00 0.00 -0.50 -2.05 2.03 -1.93 0.20 116.42 114.17 3gtl h ASP 760 Ca -0.01 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3gtl h ASP 760 Cb 1.13 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.63 3gtl h ASP 760 CO 0.08 0.00 0.00 1.41 -1.03 0.00 0.00 179.24 179.70 3gtl n HIS 761 N -2.90 0.84 -4.62 4.15 8.25 -1.24 -4.98 115.22 114.71 3gtl n HIS 761 Ca -0.01 -0.38 -0.28 0.00 -0.26 0.00 0.00 57.72 56.79 3gtl n HIS 761 Cb 0.17 -0.07 -0.09 0.00 1.12 0.00 0.00 29.99 31.12 3gtl n HIS 761 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 3gtl s ASN 762 N -0.91 3.52 0.20 0.41 0.02 0.68 -3.87 114.94 114.99 3gtl s ASN 762 Ca 0.35 -1.52 0.02 0.00 -1.02 0.00 0.00 52.86 50.69 3gtl s ASN 762 Cb 0.20 0.14 -0.04 0.00 0.02 0.00 0.00 41.25 41.57 3gtl s ASN 762 CO 0.21 -0.70 0.35 -1.58 0.02 0.00 0.00 177.10 175.40 3gtl s GLN 763 N -3.80 3.47 0.00 -0.60 0.74 -1.26 -5.01 119.66 113.19 3gtl s GLN 763 Ca 0.23 -0.54 0.00 0.00 0.05 0.00 0.00 55.36 55.10 3gtl s GLN 763 Cb 0.06 -2.89 0.00 0.00 1.10 0.00 0.00 33.01 31.28 3gtl s GLN 763 CO 0.12 0.44 0.00 0.43 -0.55 0.00 0.00 175.29 175.72 3gtl n SER 764 N -0.88 0.00 0.00 6.67 7.64 -1.26 -3.34 113.62 122.45 3gtl n SER 764 Ca -0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.81 3gtl n SER 764 Cb 0.55 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.75 3gtl n SER 764 CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3gtl n PRO 765 N 0.00 0.00 -0.01 1.43 -0.02 -1.26 0.22 135.00 135.36 3gtl n PRO 765 Ca 0.00 0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.49 3gtl n PRO 765 Cb 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 33.50 33.50 3gtl n PRO 765 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3gtl n ARG 766 N 0.00 -0.00 0.06 -0.52 5.12 -1.25 0.82 116.66 120.89 3gtl n ARG 766 Ca 0.00 0.06 -0.13 0.00 -1.93 0.00 0.00 57.85 55.85 3gtl n ARG 766 Cb 0.00 -0.10 -0.09 0.00 -1.16 0.00 0.00 32.46 31.11 3gtl n ARG 766 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 3gtl h ASN 767 N 0.00 -0.14 -0.94 0.55 4.21 0.27 0.22 115.58 119.75 3gtl h ASN 767 Ca 0.03 -0.33 0.21 0.00 1.21 0.00 0.00 56.30 57.43 3gtl h ASN 767 Cb 0.07 0.04 -0.18 0.00 -1.12 0.00 0.00 38.32 37.13 3gtl h ASN 767 CO -0.04 0.27 -0.12 0.74 -1.29 0.00 0.00 177.43 177.00 3gtl h THR 768 N -0.59 0.08 -0.37 2.81 2.02 0.41 -2.66 112.91 114.60 3gtl h THR 768 Ca -0.02 -0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 3gtl h THR 768 Cb 0.46 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3gtl h THR 768 CO 0.03 0.00 0.22 1.88 0.37 0.00 0.00 175.52 178.02 3gtl h TYR 769 N 0.01 0.50 -0.71 3.16 -1.99 0.00 -2.44 116.97 115.51 3gtl h TYR 769 Ca 0.50 -0.01 0.03 0.00 2.00 0.00 0.00 58.73 61.25 3gtl h TYR 769 Cb 0.87 -0.16 -0.04 0.00 2.00 0.00 0.00 36.73 39.40 3gtl h TYR 769 CO -0.62 0.37 0.45 0.37 -0.00 0.00 0.00 178.16 178.73 3gtl h GLN 770 N 0.48 0.86 -0.90 4.88 5.75 -0.50 -1.58 115.11 124.10 3gtl h GLN 770 Ca 0.13 -0.05 0.10 0.00 -0.15 0.00 0.00 58.65 58.68 3gtl h GLN 770 Cb 0.02 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.32 3gtl h GLN 770 CO -0.02 0.57 0.58 0.77 -2.65 0.00 0.00 178.83 178.08 3gtl h SER 771 N 0.88 0.82 -0.46 -0.69 0.02 -1.13 0.92 113.55 113.91 3gtl h SER 771 Ca 0.28 0.02 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 3gtl h SER 771 Cb -0.01 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.37 3gtl h SER 771 CO -0.10 0.48 -0.12 0.00 -1.14 0.00 0.00 176.83 175.95 3gtl h ALA 772 N 1.55 0.64 0.00 3.77 0.00 -0.85 -3.24 119.26 121.13 3gtl h ALA 772 Ca 0.42 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3gtl h ALA 772 Cb 0.40 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3gtl h ALA 772 CO -0.18 0.55 -0.53 -1.33 0.00 0.00 0.00 179.25 177.76 3gtl n MET 773 N -4.24 0.21 0.17 0.00 2.81 -0.49 -3.79 117.12 111.80 3gtl n MET 773 Ca -0.00 0.07 0.02 0.00 -1.81 0.00 0.00 57.70 55.97 3gtl n MET 773 Cb 0.39 -1.64 0.31 0.00 -0.71 0.00 0.00 33.22 31.57 3gtl n MET 773 CO 0.00 0.00 0.00 0.78 1.51 0.00 0.00 175.97 178.26 3gtl h GLY 774 N 4.64 0.00 2.00 3.03 0.00 0.80 -1.91 103.07 111.63 3gtl h GLY 774 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 3gtl h GLY 774 CO 0.00 0.00 -0.04 0.50 0.00 0.00 0.00 176.54 177.00 3gtl h LYS 775 N 0.00 0.00 -0.15 4.80 1.57 -1.65 -3.04 116.57 118.10 3gtl h LYS 775 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gtl h LYS 775 Cb 0.78 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.09 3gtl h LYS 775 CO 0.06 0.04 0.00 1.04 -0.57 0.00 0.00 179.45 180.02 3gtl n GLN 776 N -3.23 1.72 0.00 3.15 6.02 -0.74 -4.50 117.38 119.79 3gtl n GLN 776 Ca -0.01 -1.72 0.00 0.00 -0.01 0.00 0.00 57.00 55.26 3gtl n GLN 776 Cb 0.23 -1.35 0.00 0.00 1.02 0.00 0.00 30.24 30.14 3gtl n GLN 776 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gtl n ALA 777 N 0.98 0.00 -3.47 -1.58 0.00 -1.06 -1.18 120.51 114.20 3gtl n ALA 777 Ca 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.43 3gtl n ALA 777 Cb 0.45 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.81 3gtl n ALA 777 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 3gtl s MET 778 N -1.96 0.61 0.00 0.00 1.75 -1.21 -4.50 119.30 113.99 3gtl s MET 778 Ca 0.00 0.78 0.00 0.00 -1.25 0.00 0.00 55.69 55.22 3gtl s MET 778 Cb 0.00 0.26 0.00 0.00 2.84 0.00 0.00 34.83 37.93 3gtl s MET 778 CO 0.00 -0.09 0.00 0.41 -0.65 0.00 0.00 175.02 174.69 3gtl n GLY 779 N 3.02 -0.42 3.15 2.11 0.00 -1.21 -3.88 105.19 107.96 3gtl n GLY 779 Ca -0.15 -1.00 -0.26 0.00 0.00 0.00 0.00 46.02 44.61 3gtl n GLY 779 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3gtl n VAL 780 N 9.00 0.00 -0.04 1.61 0.31 -1.25 -4.51 118.33 123.45 3gtl n VAL 780 Ca 0.00 -0.28 0.02 0.00 -0.01 0.00 0.00 64.34 64.08 3gtl n VAL 780 Cb 0.00 -0.17 -0.16 0.00 -0.91 0.00 0.00 33.84 32.59 3gtl n VAL 780 CO 0.00 0.00 0.00 2.22 -1.32 0.00 0.00 176.83 177.73 3gtl n PHE 781 N 6.69 0.00 -3.57 3.52 1.16 -1.26 -4.04 117.46 119.96 3gtl n PHE 781 Ca 0.61 0.00 -0.09 0.00 -1.87 0.00 0.00 57.45 56.10 3gtl n PHE 781 Cb 0.09 -0.68 -0.02 0.00 -1.61 0.00 0.00 39.48 37.26 3gtl n PHE 781 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 3gtl s LEU 782 N -4.87 -0.39 -0.04 5.98 1.43 -1.26 -4.13 118.68 115.40 3gtl s LEU 782 Ca -0.09 -0.16 -0.10 0.00 -1.03 0.00 0.00 54.13 52.75 3gtl s LEU 782 Cb 0.10 2.36 -0.31 0.00 0.03 0.00 0.00 46.19 48.38 3gtl s LEU 782 CO 0.85 -0.91 0.69 0.74 0.23 0.00 0.00 176.35 177.96 3gtl h THR 783 N 2.00 0.96 0.00 5.49 2.02 -1.98 -3.30 112.91 118.10 3gtl h THR 783 Ca -0.26 -2.54 0.00 0.00 0.77 0.00 0.00 66.41 64.38 3gtl h THR 783 Cb 1.27 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 70.45 3gtl h THR 783 CO 0.31 0.85 0.00 -0.46 0.37 0.00 0.00 175.52 176.60 3gtl n ASN 784 N -3.58 1.25 0.27 4.18 6.94 -1.26 -4.23 115.26 118.83 3gtl n ASN 784 Ca -0.24 -1.56 0.17 0.00 -0.02 0.00 0.00 54.58 52.94 3gtl n ASN 784 Cb 1.08 -0.39 0.93 0.00 -2.36 0.00 0.00 39.78 39.03 3gtl n ASN 784 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 3gtl h TYR 785 N 0.29 0.00 -0.68 -2.53 -0.00 -1.94 0.19 116.97 112.29 3gtl h TYR 785 Ca 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.67 3gtl h TYR 785 Cb 0.51 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.21 3gtl h TYR 785 CO 0.00 0.00 0.17 -0.97 -0.00 0.00 0.00 178.16 177.36 3gtl h ASN 786 N 0.00 1.02 0.44 0.10 -1.24 -1.91 -3.25 115.58 110.74 3gtl h ASN 786 Ca 0.04 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.84 3gtl h ASN 786 Cb 0.26 -0.27 0.00 0.00 0.73 0.00 0.00 38.32 39.04 3gtl h ASN 786 CO -0.00 0.98 -1.14 0.52 -1.29 0.00 0.00 177.43 176.50 3gtl n VAL 787 N -4.24 0.20 -1.95 2.57 0.31 0.57 -4.91 118.33 110.89 3gtl n VAL 787 Ca 0.05 -0.31 -0.30 0.00 -0.01 0.00 0.00 64.34 63.78 3gtl n VAL 787 Cb 0.25 0.13 0.04 0.00 -0.91 0.00 0.00 33.84 33.35 3gtl n VAL 787 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3gtl s ARG 788 N -3.25 2.92 -0.40 5.55 0.52 -0.64 -5.03 118.95 118.62 3gtl s ARG 788 Ca 0.02 0.42 0.11 0.00 -0.52 0.00 0.00 55.73 55.76 3gtl s ARG 788 Cb 0.14 -2.06 0.36 0.00 0.52 0.00 0.00 34.95 33.91 3gtl s ARG 788 CO 0.81 -0.96 0.78 -1.33 0.02 0.00 0.00 175.30 174.63 3gtl n MET 789 N -2.93 1.37 -3.44 3.54 2.81 -1.26 -4.99 117.12 112.22 3gtl n MET 789 Ca 0.06 -3.62 -0.26 0.00 -1.81 0.00 0.00 57.70 52.07 3gtl n MET 789 Cb 0.57 -1.77 -0.02 0.00 -0.71 0.00 0.00 33.22 31.29 3gtl n MET 789 CO 0.00 0.00 0.00 0.16 1.51 0.00 0.00 175.97 177.64 3gtl s ASP 790 N -2.65 6.36 0.26 7.83 -4.77 -1.26 -4.95 116.67 117.49 3gtl s ASP 790 Ca 0.41 0.51 -0.29 0.00 -3.30 0.00 0.00 52.55 49.87 3gtl s ASP 790 Cb 0.35 -2.06 -0.09 0.00 -1.09 0.00 0.00 42.92 40.03 3gtl s ASP 790 CO -0.08 -0.21 1.15 -0.89 0.70 0.00 0.00 175.17 175.84 3gtl s THR 791 N -2.15 3.41 0.59 2.11 2.01 -1.26 -3.75 115.64 116.60 3gtl s THR 791 Ca 0.41 1.35 0.00 0.00 0.31 0.00 0.00 61.69 63.76 3gtl s THR 791 Cb -0.10 -3.86 0.00 0.00 0.01 0.00 0.00 72.50 68.55 3gtl s THR 791 CO 0.33 0.30 0.00 0.80 -0.69 0.00 0.00 174.62 175.35 3gtl n MET 792 N 1.49 -3.66 0.00 4.92 0.00 -1.21 -4.80 117.12 113.86 3gtl n MET 792 Ca 0.00 2.90 0.00 0.00 -0.00 0.00 0.00 57.70 60.61 3gtl n MET 792 Cb 0.44 -3.84 0.00 0.00 0.00 0.00 0.00 33.22 29.82 3gtl n MET 792 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gtl n ALA 793 N -3.34 0.00 -3.89 -5.12 0.00 -0.72 -4.82 120.51 102.62 3gtl n ALA 793 Ca -0.04 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.11 3gtl n ALA 793 Cb 0.56 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.84 3gtl n ALA 793 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3gtl s ASN 794 N 0.00 2.93 -0.02 0.00 0.01 -1.26 -1.89 114.94 114.70 3gtl s ASN 794 Ca 0.00 -0.72 0.07 0.00 -0.71 0.00 0.00 52.86 51.50 3gtl s ASN 794 Cb 0.00 -0.93 -0.02 0.00 0.41 0.00 0.00 41.25 40.72 3gtl s ASN 794 CO 0.00 -0.19 -0.22 -0.63 -1.51 0.00 0.00 177.10 174.54 3gtl s ILE 795 N 1.62 1.77 0.01 0.60 1.09 -1.20 -3.32 121.20 121.77 3gtl s ILE 795 Ca 0.00 -0.95 -0.30 0.00 -1.10 0.00 0.00 60.65 58.30 3gtl s ILE 795 Cb -0.16 -1.48 -0.03 0.00 -1.06 0.00 0.00 42.46 39.74 3gtl s ILE 795 CO -0.08 0.50 0.98 -0.22 -0.10 0.00 0.00 174.94 176.03 3gtl s LEU 796 N -0.43 4.38 0.19 2.97 2.96 -1.26 -1.36 118.68 126.12 3gtl s LEU 796 Ca 0.06 1.67 -0.12 0.00 -0.22 0.00 0.00 54.13 55.53 3gtl s LEU 796 Cb -0.09 -3.57 0.19 0.00 0.50 0.00 0.00 46.19 43.22 3gtl s LEU 796 CO -0.00 -0.26 1.77 1.88 -1.32 0.00 0.00 176.35 178.43 3gtl h TYR 797 N 6.75 0.46 -1.95 5.38 -1.99 -1.50 -3.33 116.97 120.79 3gtl h TYR 797 Ca -0.41 0.02 -0.55 0.00 2.00 0.00 0.00 58.73 59.79 3gtl h TYR 797 Cb 1.22 -0.12 -0.38 0.00 2.00 0.00 0.00 36.73 39.44 3gtl h TYR 797 CO 0.68 0.19 -1.10 0.66 -0.00 0.00 0.00 178.16 178.59 3gtl n TYR 798 N -4.92 -0.43 -2.34 4.88 4.02 -1.26 -5.10 117.16 112.02 3gtl n TYR 798 Ca 0.06 -3.52 -0.38 0.00 -0.01 0.00 0.00 57.90 54.05 3gtl n TYR 798 Cb 0.19 -0.30 -0.02 0.00 -0.02 0.00 0.00 39.34 39.18 3gtl n TYR 798 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3gtl s PRO 799 N -1.17 4.06 0.12 -0.72 0.04 -1.25 -4.74 135.00 131.34 3gtl s PRO 799 Ca 0.35 1.77 0.09 0.00 0.04 0.00 0.00 61.00 63.25 3gtl s PRO 799 Cb 0.18 -2.64 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 3gtl s PRO 799 CO -0.11 -0.30 -0.22 -0.65 0.04 0.00 0.00 177.00 175.76 3gtl s GLN 800 N -2.35 1.24 0.67 4.56 -0.21 -1.10 -4.95 119.66 117.52 3gtl s GLN 800 Ca 0.57 -1.27 -0.17 0.00 0.02 0.00 0.00 55.36 54.52 3gtl s GLN 800 Cb -0.29 -1.54 -0.01 0.00 1.00 0.00 0.00 33.01 32.16 3gtl s GLN 800 CO 0.36 0.35 1.03 0.36 -2.12 0.00 0.00 175.29 175.28 3gtl n LYS 801 N 0.88 0.75 -1.76 2.91 2.85 -1.26 -4.56 118.16 117.97 3gtl n LYS 801 Ca -0.18 0.31 -0.30 0.00 -1.05 0.00 0.00 58.31 57.08 3gtl n LYS 801 Cb 0.54 -2.27 0.05 0.00 -0.65 0.00 0.00 35.03 32.70 3gtl n LYS 801 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 3gtl s PRO 802 N -3.16 2.92 0.00 -1.58 0.04 -1.26 -4.83 135.00 127.13 3gtl s PRO 802 Ca 0.76 0.65 0.20 0.00 0.04 0.00 0.00 61.00 62.66 3gtl s PRO 802 Cb -0.37 -2.01 1.19 0.00 0.04 0.00 0.00 34.50 33.35 3gtl s PRO 802 CO 0.47 -1.04 1.64 1.28 0.04 0.00 0.00 177.00 179.40 3gtl n LEU 803 N -3.04 0.00 -3.06 -3.56 4.77 -1.26 -4.42 117.00 106.43 3gtl n LEU 803 Ca 0.07 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.86 3gtl n LEU 803 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.61 3gtl n LEU 803 CO 0.57 0.00 -0.13 0.61 -1.33 0.00 0.00 177.39 177.11 3gtl n GLY 804 N 0.53 1.72 3.79 -0.72 0.00 -1.26 -2.14 105.19 107.11 3gtl n GLY 804 Ca 0.15 -0.91 -0.31 0.00 0.00 0.00 0.00 46.02 44.96 3gtl n GLY 804 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gtl s THR 805 N -0.34 3.60 0.38 2.61 -4.23 0.46 -4.38 115.64 113.75 3gtl s THR 805 Ca 0.34 0.52 -0.04 0.00 -1.18 0.00 0.00 61.69 61.33 3gtl s THR 805 Cb 0.16 -3.16 -0.04 0.00 1.34 0.00 0.00 72.50 70.79 3gtl s THR 805 CO -0.16 -0.68 0.65 -0.89 -0.54 0.00 0.00 174.62 173.01 3gtl s THR 806 N -3.00 4.98 -2.00 3.99 2.01 -1.26 -1.08 115.64 119.28 3gtl s THR 806 Ca 0.60 0.02 0.11 0.00 0.31 0.00 0.00 61.69 62.73 3gtl s THR 806 Cb -0.15 -3.81 0.30 0.00 0.01 0.00 0.00 72.50 68.85 3gtl s THR 806 CO 0.55 -0.59 1.08 0.54 -0.69 0.00 0.00 174.62 175.52 3gtl n ARG 807 N -1.66 0.51 -0.05 4.92 5.12 -1.26 -2.86 116.66 121.39 3gtl n ARG 807 Ca -0.01 0.00 -0.05 0.00 -1.93 0.00 0.00 57.85 55.86 3gtl n ARG 807 Cb 0.55 -1.33 -0.08 0.00 -1.16 0.00 0.00 32.46 30.44 3gtl n ARG 807 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3gtl n ALA 808 N -0.83 1.78 -0.39 7.54 0.00 -1.26 -4.24 120.51 123.10 3gtl n ALA 808 Ca 0.08 -0.64 0.38 0.00 0.00 0.00 0.00 53.44 53.27 3gtl n ALA 808 Cb 0.04 0.03 0.70 0.00 0.00 0.00 0.00 19.45 20.21 3gtl n ALA 808 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3gtl h MET 809 N 0.00 0.00 0.17 0.00 2.86 -1.69 0.22 114.93 116.49 3gtl h MET 809 Ca -0.26 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.39 3gtl h MET 809 Cb 1.57 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 33.21 3gtl h MET 809 CO 0.01 0.00 -0.24 1.49 1.06 0.00 0.00 176.91 179.24 3gtl h GLU 810 N 0.00 -0.45 0.00 1.72 4.57 -1.74 -1.48 114.58 117.20 3gtl h GLU 810 Ca 0.64 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.85 3gtl h GLU 810 Cb 2.87 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 31.56 3gtl h GLU 810 CO -0.01 -0.30 -1.07 0.66 -1.18 0.00 0.00 179.01 177.11 3gtl n TYR 811 N -5.36 0.04 1.84 0.92 4.02 0.47 -3.04 117.16 116.04 3gtl n TYR 811 Ca -0.07 0.01 0.15 0.00 -0.01 0.00 0.00 57.90 57.98 3gtl n TYR 811 Cb 0.27 -0.16 0.81 0.00 -0.02 0.00 0.00 39.34 40.25 3gtl n TYR 811 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 3gtl n LEU 812 N -1.66 0.49 -2.25 7.72 4.77 0.45 -4.91 117.00 121.61 3gtl n LEU 812 Ca 0.03 -0.16 -0.18 0.00 -0.03 0.00 0.00 56.01 55.66 3gtl n LEU 812 Cb 0.38 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.44 3gtl n LEU 812 CO 0.42 0.08 -0.23 0.29 -1.33 0.00 0.00 177.39 176.63 3gtl n LYS 813 N -0.62 -1.76 0.33 3.23 4.76 -1.02 -4.90 118.16 118.18 3gtl n LYS 813 Ca 0.22 0.93 -0.13 0.00 -2.87 0.00 0.00 58.31 56.46 3gtl n LYS 813 Cb 0.19 -5.52 -0.06 0.00 -1.84 0.00 0.00 35.03 27.79 3gtl n LYS 813 CO 0.00 0.00 0.00 0.35 -1.37 0.00 0.00 177.40 176.38 3gtl h PHE 814 N 0.00 -0.80 -0.82 2.13 3.57 -1.52 -2.09 116.94 117.42 3gtl h PHE 814 Ca -0.43 -0.02 0.24 0.00 3.53 0.00 0.00 57.97 61.29 3gtl h PHE 814 Cb 1.30 0.26 -0.03 0.00 2.79 0.00 0.00 35.95 40.27 3gtl h PHE 814 CO 0.59 -0.50 0.63 0.54 -2.23 0.00 0.00 178.31 177.34 3gtl n ARG 815 N -5.07 0.00 -0.10 1.11 5.12 -1.25 -0.54 116.66 115.93 3gtl n ARG 815 Ca -0.11 0.49 -0.13 0.00 -1.93 0.00 0.00 57.85 56.17 3gtl n ARG 815 Cb 0.34 -1.15 -0.09 0.00 -1.16 0.00 0.00 32.46 30.40 3gtl n ARG 815 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 3gtl n GLU 816 N -2.73 0.55 -3.82 5.56 4.71 -1.13 -4.45 120.64 119.33 3gtl n GLU 816 Ca 0.18 0.10 -0.32 0.00 -0.01 0.00 0.00 57.16 57.12 3gtl n GLU 816 Cb 0.88 -1.39 -0.11 0.00 -1.01 0.00 0.00 31.44 29.81 3gtl n GLU 816 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 3gtl s LEU 817 N -6.06 4.92 0.78 -4.62 1.02 0.30 -5.06 118.68 109.95 3gtl s LEU 817 Ca -0.25 -3.42 -0.05 0.00 0.02 0.00 0.00 54.13 50.43 3gtl s LEU 817 Cb 0.07 -1.74 0.14 0.00 0.02 0.00 0.00 46.19 44.68 3gtl s LEU 817 CO 0.46 -0.20 1.08 -2.16 0.02 0.00 0.00 176.35 175.55 3gtl s PRO 818 N -0.87 1.44 -0.30 1.29 0.04 -0.71 -4.57 135.00 131.32 3gtl s PRO 818 Ca 0.22 -0.89 0.00 0.00 0.04 0.00 0.00 61.00 60.37 3gtl s PRO 818 Cb -0.14 -2.20 0.14 0.00 0.04 0.00 0.00 34.50 32.35 3gtl s PRO 818 CO -0.09 -1.68 0.32 0.00 0.04 0.00 0.00 177.00 175.58 3gtl s ALA 819 N -3.34 -0.56 0.00 8.56 0.00 -1.26 -3.79 121.76 121.37 3gtl s ALA 819 Ca 0.68 -0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.34 3gtl s ALA 819 Cb -0.05 -1.86 0.00 0.00 0.00 0.00 0.00 23.12 21.20 3gtl s ALA 819 CO 0.47 -1.76 0.00 0.41 0.00 0.00 0.00 175.76 174.88 3gtl n GLY 820 N 5.22 4.25 3.88 0.00 0.00 -1.25 -4.67 105.19 112.62 3gtl n GLY 820 Ca -0.01 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 45.11 3gtl n GLY 820 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3gtl s GLN 821 N -3.46 3.71 -0.40 1.61 1.11 -1.21 -2.71 119.66 118.31 3gtl s GLN 821 Ca 0.00 0.47 0.05 0.00 0.01 0.00 0.00 55.36 55.89 3gtl s GLN 821 Cb 0.00 -2.32 0.65 0.00 -1.01 0.00 0.00 33.01 30.32 3gtl s GLN 821 CO 0.00 -0.17 1.84 -1.71 0.01 0.00 0.00 175.29 175.26 3gtl n ASN 822 N -1.77 3.92 0.00 5.90 2.85 -1.26 -2.62 115.26 122.28 3gtl n ASN 822 Ca 0.03 -3.43 0.00 0.00 -0.11 0.00 0.00 54.58 51.07 3gtl n ASN 822 Cb 0.54 -0.80 0.00 0.00 1.24 0.00 0.00 39.78 40.76 3gtl n ASN 822 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3gtl n ALA 823 N -0.85 -0.51 -2.62 5.20 0.00 -1.26 -3.95 120.51 116.53 3gtl n ALA 823 Ca 0.53 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.55 3gtl n ALA 823 Cb 1.55 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.95 3gtl n ALA 823 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gtl s ILE 824 N 0.00 4.76 -0.01 0.00 -1.09 -1.26 -2.01 121.20 121.59 3gtl s ILE 824 Ca 0.00 1.27 0.07 0.00 -2.23 0.00 0.00 60.65 59.75 3gtl s ILE 824 Cb 0.00 -4.18 -0.02 0.00 -1.58 0.00 0.00 42.46 36.68 3gtl s ILE 824 CO 0.00 -0.27 -0.21 0.54 -1.23 0.00 0.00 174.94 173.77 3gtl s VAL 825 N 3.03 2.50 -0.09 2.92 0.11 -0.79 0.11 120.40 128.18 3gtl s VAL 825 Ca 0.34 -1.03 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 3gtl s VAL 825 Cb -0.14 -1.95 -0.03 0.00 -1.53 0.00 0.00 36.38 32.74 3gtl s VAL 825 CO 0.12 0.52 -0.09 0.00 -3.33 0.00 0.00 175.10 172.33 3gtl s ALA 826 N -0.72 2.88 -0.43 1.54 0.00 0.63 -2.25 121.76 123.40 3gtl s ALA 826 Ca 0.11 -0.89 0.07 0.00 0.00 0.00 0.00 51.96 51.25 3gtl s ALA 826 Cb -0.10 -1.23 0.42 0.00 0.00 0.00 0.00 23.12 22.20 3gtl s ALA 826 CO 0.01 0.47 1.08 -0.89 0.00 0.00 0.00 175.76 176.42 3gtl n ILE 827 N 2.63 2.23 -4.40 0.00 5.41 -1.03 0.72 119.36 124.92 3gtl n ILE 827 Ca -0.18 -4.76 -0.25 0.00 1.00 0.00 0.00 62.75 58.56 3gtl n ILE 827 Cb 0.53 -1.04 -0.12 0.00 -0.71 0.00 0.00 39.64 38.30 3gtl n ILE 827 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtl s ALA 828 N -3.47 2.38 -0.18 -1.39 0.00 -1.22 -3.41 121.76 114.46 3gtl s ALA 828 Ca 0.45 -1.60 -0.29 0.00 0.00 0.00 0.00 51.96 50.52 3gtl s ALA 828 Cb 0.40 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 3gtl s ALA 828 CO -0.16 0.37 1.73 0.00 0.00 0.00 0.00 175.76 177.71 3gtl s TYR 830 N 5.45 1.77 0.00 0.00 5.04 -1.26 -5.04 117.35 123.31 3gtl s TYR 830 Ca 0.77 -1.26 0.00 0.00 -2.44 0.00 0.00 57.07 54.14 3gtl s TYR 830 Cb -0.28 -1.11 0.00 0.00 0.35 0.00 0.00 41.96 40.92 3gtl s TYR 830 CO 0.31 -0.31 0.00 -1.13 -1.34 0.00 0.00 175.55 173.09 3gtl n SER 831 N -1.13 0.00 0.00 4.32 3.41 -1.26 -4.05 113.62 114.91 3gtl n SER 831 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 3gtl n SER 831 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 3gtl n SER 831 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gtl n GLY 832 N 0.00 -0.19 0.11 5.00 0.00 -1.26 -5.03 105.19 103.82 3gtl n GLY 832 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3gtl n GLY 832 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3gtl n TYR 833 N 0.00 0.00 -0.01 1.61 4.02 -1.26 -4.67 117.16 116.85 3gtl n TYR 833 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3gtl n TYR 833 Cb 0.00 -0.90 0.00 0.00 -0.02 0.00 0.00 39.34 38.42 3gtl n TYR 833 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 176.86 176.12 3gtl n ASN 834 N -3.08 0.00 -3.78 7.72 2.04 -1.26 -4.32 115.26 112.58 3gtl n ASN 834 Ca -0.39 -1.84 -0.13 0.00 -0.44 0.00 0.00 54.58 51.79 3gtl n ASN 834 Cb 0.97 -0.37 -0.12 0.00 -2.53 0.00 0.00 39.78 37.73 3gtl n ASN 834 CO 0.00 0.00 0.00 -1.58 -0.44 0.00 0.00 177.26 175.24 3gtl s GLN 835 N 4.41 0.22 0.00 -3.83 0.74 -1.26 -4.48 119.66 115.46 3gtl s GLN 835 Ca 0.00 0.34 0.00 0.00 0.05 0.00 0.00 55.36 55.75 3gtl s GLN 835 Cb 0.00 0.05 0.00 0.00 1.10 0.00 0.00 33.01 34.16 3gtl s GLN 835 CO 0.00 -0.06 0.00 0.39 -0.55 0.00 0.00 175.29 175.07 3gtl n GLU 836 N 3.29 0.00 0.00 1.67 -0.58 -1.26 -3.25 120.64 120.51 3gtl n GLU 836 Ca -0.16 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.58 3gtl n GLU 836 Cb 0.57 -0.13 0.00 0.00 -0.57 0.00 0.00 31.44 31.31 3gtl n GLU 836 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 3gtl n ASP 837 N 0.41 0.00 -3.83 1.62 8.00 -1.26 -5.13 116.55 116.36 3gtl n ASP 837 Ca 0.00 0.00 -0.19 0.00 0.71 0.00 0.00 54.79 55.31 3gtl n ASP 837 Cb 0.00 0.00 0.07 0.00 -0.02 0.00 0.00 41.12 41.17 3gtl n ASP 837 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 3gtl n SER 838 N 0.00 -2.59 -3.22 -2.24 7.64 -1.20 -4.12 113.62 107.89 3gtl n SER 838 Ca 0.00 -0.12 -0.01 0.00 1.01 0.00 0.00 58.87 59.75 3gtl n SER 838 Cb 0.00 -0.62 -0.03 0.00 -1.01 0.00 0.00 64.21 62.55 3gtl n SER 838 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gtl s MET 839 N -2.54 0.49 0.11 1.43 0.23 -0.65 -4.68 119.30 113.70 3gtl s MET 839 Ca 0.25 0.51 -0.31 0.00 -1.03 0.00 0.00 55.69 55.12 3gtl s MET 839 Cb 0.00 0.06 -0.07 0.00 -1.53 0.00 0.00 34.83 33.29 3gtl s MET 839 CO 0.34 -0.92 1.30 0.42 -2.03 0.00 0.00 175.02 174.13 3gtl s ILE 840 N 2.72 3.59 0.46 3.16 1.01 -0.77 -2.07 121.20 129.31 3gtl s ILE 840 Ca 0.12 1.17 0.00 0.00 0.00 0.00 0.00 60.65 61.94 3gtl s ILE 840 Cb -0.12 -3.75 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 3gtl s ILE 840 CO -0.25 0.10 0.01 0.80 0.00 0.00 0.00 174.94 175.60 3gtl n MET 841 N 3.72 0.87 -3.53 2.79 1.56 0.27 -0.13 117.12 122.67 3gtl n MET 841 Ca 0.10 -3.38 -0.40 0.00 -0.27 0.00 0.00 57.70 53.74 3gtl n MET 841 Cb 0.44 0.94 -0.05 0.00 2.15 0.00 0.00 33.22 36.70 3gtl n MET 841 CO 0.00 0.00 0.00 1.21 -0.73 0.00 0.00 175.97 176.45 3gtl s ASN 842 N -3.55 6.25 0.16 6.12 2.47 -0.15 -1.49 114.94 124.76 3gtl s ASN 842 Ca 0.01 -3.32 -0.12 0.00 0.42 0.00 0.00 52.86 49.85 3gtl s ASN 842 Cb 0.00 -2.02 0.18 0.00 -1.45 0.00 0.00 41.25 37.96 3gtl s ASN 842 CO 0.01 -0.32 1.10 1.67 -3.72 0.00 0.00 177.10 175.84 3gtl n GLN 843 N 2.96 -0.16 0.22 0.43 0.00 0.09 0.44 117.38 121.36 3gtl n GLN 843 Ca 0.18 1.09 0.15 0.00 -0.00 0.00 0.00 57.00 58.42 3gtl n GLN 843 Cb 0.39 -1.62 0.69 0.00 0.00 0.00 0.00 30.24 29.71 3gtl n GLN 843 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.06 177.72 3gtl h SER 844 N 0.00 0.00 -0.14 1.69 4.64 -1.89 -2.70 113.55 115.14 3gtl h SER 844 Ca 0.25 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.44 3gtl h SER 844 Cb 0.43 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.51 3gtl h SER 844 CO -0.70 0.00 -0.34 0.77 -0.87 0.00 0.00 176.83 175.69 3gtl h SER 845 N 0.00 0.68 -0.40 4.97 4.64 0.87 -2.88 113.55 121.43 3gtl h SER 845 Ca 0.00 -0.28 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 3gtl h SER 845 Cb 0.30 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.19 3gtl h SER 845 CO 0.00 0.96 -0.02 0.40 -0.87 0.00 0.00 176.83 177.30 3gtl h ILE 846 N 0.55 1.26 -0.15 0.95 2.04 -1.33 -1.04 117.51 119.80 3gtl h ILE 846 Ca 0.06 -1.04 0.05 0.00 1.00 0.00 0.00 64.86 64.92 3gtl h ILE 846 Cb 0.85 1.15 -0.05 0.00 -0.74 0.00 0.00 36.82 38.02 3gtl h ILE 846 CO 0.07 0.35 -0.20 0.44 0.00 0.00 0.00 178.15 178.82 3gtl h ASP 847 N 0.54 -0.62 -0.98 1.72 5.19 -1.63 -2.65 116.42 117.99 3gtl h ASP 847 Ca 0.11 0.11 0.18 0.00 -0.62 0.00 0.00 57.03 56.80 3gtl h ASP 847 Cb 0.50 0.29 -0.17 0.00 0.18 0.00 0.00 39.33 40.13 3gtl h ASP 847 CO 0.02 -0.25 -0.32 0.03 -3.12 0.00 0.00 179.24 175.61 3gtl h ARG 848 N -0.24 -0.00 0.00 3.56 2.47 -0.97 -3.43 114.38 115.76 3gtl h ARG 848 Ca 0.11 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.83 3gtl h ARG 848 Cb 0.40 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.72 3gtl h ARG 848 CO -0.29 -0.00 0.00 0.41 0.56 0.00 0.00 179.97 180.65 3gtl n GLY 849 N -1.55 -0.03 3.65 0.04 0.00 -0.90 -5.12 105.19 101.29 3gtl n GLY 849 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 3gtl n GLY 849 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gtl s LEU 850 N 0.00 4.34 -0.80 0.99 2.96 -1.07 -3.23 118.68 121.88 3gtl s LEU 850 Ca 0.00 2.60 0.00 0.00 -0.22 0.00 0.00 54.13 56.51 3gtl s LEU 850 Cb 0.00 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3gtl s LEU 850 CO 0.00 -1.14 0.00 0.49 -1.32 0.00 0.00 176.35 174.38 3gtl n PHE 851 N 7.95 -0.15 -2.54 5.38 0.99 -1.26 -4.56 117.46 123.27 3gtl n PHE 851 Ca 0.21 0.00 -0.34 0.00 -0.00 0.00 0.00 57.45 57.32 3gtl n PHE 851 Cb 0.41 -1.85 -0.03 0.00 -1.00 0.00 0.00 39.48 37.01 3gtl n PHE 851 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3gtl s ARG 852 N -3.36 3.80 0.16 -1.08 0.52 -1.20 -4.29 118.95 113.50 3gtl s ARG 852 Ca 0.00 1.35 0.04 0.00 -0.52 0.00 0.00 55.73 56.60 3gtl s ARG 852 Cb 0.00 -2.10 -0.05 0.00 0.52 0.00 0.00 34.95 33.33 3gtl s ARG 852 CO 0.00 -0.43 -0.09 -1.54 0.02 0.00 0.00 175.30 173.26 3gtl s SER 853 N -2.01 1.80 0.26 0.23 1.04 -0.49 -1.21 113.70 113.31 3gtl s SER 853 Ca 0.67 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 56.12 3gtl s SER 853 Cb -0.16 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.92 3gtl s SER 853 CO 0.20 -0.36 0.30 -0.76 0.98 0.00 0.00 173.24 173.60 3gtl s LEU 854 N -3.19 4.05 -0.04 2.42 1.43 -0.46 -2.36 118.68 120.53 3gtl s LEU 854 Ca 0.18 -0.11 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 3gtl s LEU 854 Cb 0.03 -2.61 0.03 0.00 0.03 0.00 0.00 46.19 43.68 3gtl s LEU 854 CO 0.02 -0.09 0.07 0.12 0.23 0.00 0.00 176.35 176.70 3gtl s PHE 855 N -2.07 0.00 -0.15 0.29 5.36 0.60 -3.20 117.98 118.81 3gtl s PHE 855 Ca 0.35 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.64 3gtl s PHE 855 Cb -0.08 -0.37 0.01 0.00 -0.34 0.00 0.00 43.02 42.24 3gtl s PHE 855 CO 0.27 -0.18 -0.21 -0.06 -1.46 0.00 0.00 175.22 173.59 3gtl s PHE 856 N 1.91 2.62 -0.15 10.12 0.40 -0.79 -1.28 117.98 130.80 3gtl s PHE 856 Ca 0.01 -1.39 0.00 0.00 -0.60 0.00 0.00 56.93 54.96 3gtl s PHE 856 Cb -0.12 -1.80 0.02 0.00 0.51 0.00 0.00 43.02 41.63 3gtl s PHE 856 CO -0.04 -0.66 -0.13 0.50 0.70 0.00 0.00 175.22 175.60 3gtl s ARG 857 N 0.98 2.19 0.41 0.44 3.00 -0.20 -1.75 118.95 124.02 3gtl s ARG 857 Ca -0.03 -0.56 -0.21 0.00 -1.00 0.00 0.00 55.73 53.93 3gtl s ARG 857 Cb -0.15 -2.09 -0.11 0.00 0.00 0.00 0.00 34.95 32.61 3gtl s ARG 857 CO -0.05 -0.26 0.93 -1.12 0.00 0.00 0.00 175.30 174.80 3gtl s SER 858 N 1.50 6.96 0.01 -2.12 0.01 -1.25 -1.35 113.70 117.47 3gtl s SER 858 Ca 0.04 1.67 0.04 0.00 1.31 0.00 0.00 55.95 59.01 3gtl s SER 858 Cb -0.13 -2.53 -0.01 0.00 0.21 0.00 0.00 66.02 63.55 3gtl s SER 858 CO -0.10 -0.33 -0.12 -0.31 0.41 0.00 0.00 173.24 172.80 3gtl s TYR 859 N -2.12 1.02 0.04 2.43 1.51 0.22 -4.79 117.35 115.65 3gtl s TYR 859 Ca 0.60 -0.27 0.02 0.00 -1.01 0.00 0.00 57.07 56.41 3gtl s TYR 859 Cb -0.10 -0.63 -0.02 0.00 -0.11 0.00 0.00 41.96 41.10 3gtl s TYR 859 CO 0.14 -0.00 -0.07 1.41 -1.11 0.00 0.00 175.55 175.92 3gtl s MET 860 N -0.68 0.47 0.31 -0.62 1.75 -1.26 -0.24 119.30 119.03 3gtl s MET 860 Ca 0.02 -0.72 -0.19 0.00 -1.25 0.00 0.00 55.69 53.55 3gtl s MET 860 Cb -0.06 -0.19 0.04 0.00 2.84 0.00 0.00 34.83 37.45 3gtl s MET 860 CO 0.00 0.03 0.77 0.34 -0.65 0.00 0.00 175.02 175.51 3gtl s ASP 861 N -1.54 -0.15 0.38 1.11 -1.08 -0.96 -4.99 116.67 109.43 3gtl s ASP 861 Ca -0.11 -0.81 -0.08 0.00 -0.52 0.00 0.00 52.55 51.02 3gtl s ASP 861 Cb -0.10 0.76 0.03 0.00 -1.46 0.00 0.00 42.92 42.15 3gtl s ASP 861 CO 0.00 -1.45 0.64 0.00 0.52 0.00 0.00 175.17 174.88 3gtl n GLN 862 N -0.49 0.93 -4.89 4.34 6.02 -1.26 -2.13 117.38 119.89 3gtl n GLN 862 Ca -0.06 -2.54 -0.32 0.00 -0.01 0.00 0.00 57.00 54.07 3gtl n GLN 862 Cb 0.59 2.76 -0.16 0.00 1.02 0.00 0.00 30.24 34.45 3gtl n GLN 862 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3gtl s GLU 863 N -2.45 3.12 0.31 -1.09 2.02 -1.05 -4.95 118.70 114.61 3gtl s GLU 863 Ca 0.23 -0.82 0.00 0.00 0.02 0.00 0.00 54.97 54.39 3gtl s GLU 863 Cb -0.03 -2.44 0.00 0.00 0.10 0.00 0.00 34.13 31.76 3gtl s GLU 863 CO 0.17 0.10 0.00 0.36 0.02 0.00 0.00 175.26 175.91 3gtl n LYS 864 N 3.76 -2.54 -4.19 1.61 2.85 -1.26 -4.84 118.16 113.54 3gtl n LYS 864 Ca -0.19 1.71 -0.12 0.00 -1.05 0.00 0.00 58.31 58.66 3gtl n LYS 864 Cb 0.52 -3.10 -0.10 0.00 -0.65 0.00 0.00 35.03 31.71 3gtl n LYS 864 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3gtl s LYS 865 N -2.22 1.12 -0.21 -1.58 2.20 -1.26 -4.99 119.74 112.80 3gtl s LYS 865 Ca 0.00 -1.57 -0.10 0.00 -0.36 0.00 0.00 55.97 53.94 3gtl s LYS 865 Cb 0.00 0.20 -0.05 0.00 -1.51 0.00 0.00 37.83 36.46 3gtl s LYS 865 CO 0.00 -0.33 0.65 0.66 -0.36 0.00 0.00 175.35 175.97 3gtl n TYR 866 N -0.23 0.21 -4.03 4.03 4.02 -1.26 -4.90 117.16 115.01 3gtl n TYR 866 Ca -0.01 0.14 -0.16 0.00 -0.01 0.00 0.00 57.90 57.86 3gtl n TYR 866 Cb 0.65 -0.62 -0.15 0.00 -0.02 0.00 0.00 39.34 39.20 3gtl n TYR 866 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 176.86 176.05 3gtl s GLY 867 N 2.06 0.22 0.00 2.72 0.00 -1.26 -4.92 107.32 106.14 3gtl s GLY 867 Ca 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3gtl s GLY 867 CO 0.15 0.19 0.14 1.03 0.00 0.00 0.00 173.10 174.61 3gtl n MET 868 N 3.51 1.53 0.00 2.90 2.81 -1.26 -4.76 117.12 121.85 3gtl n MET 868 Ca -0.19 -0.14 0.00 0.00 -1.81 0.00 0.00 57.70 55.55 3gtl n MET 868 Cb 0.55 -0.54 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 3gtl n MET 868 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3gtl n SER 869 N -0.26 0.08 -3.78 7.83 3.41 -1.26 -5.07 113.62 114.56 3gtl n SER 869 Ca 0.00 -0.43 -0.15 0.00 -0.26 0.00 0.00 58.87 58.03 3gtl n SER 869 Cb 0.06 0.15 -0.16 0.00 -0.26 0.00 0.00 64.21 64.00 3gtl n SER 869 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3gtl s ILE 870 N -0.15 -0.04 -0.17 -1.33 1.01 -1.26 -5.06 121.20 114.20 3gtl s ILE 870 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 60.65 60.76 3gtl s ILE 870 Cb 0.00 -0.09 0.07 0.00 0.01 0.00 0.00 42.46 42.46 3gtl s ILE 870 CO 0.00 0.08 0.39 -0.89 0.00 0.00 0.00 174.94 174.52 3gtl s THR 871 N 0.96 -0.31 0.48 2.92 2.01 -1.26 -4.16 115.64 116.28 3gtl s THR 871 Ca -0.08 0.15 -0.20 0.00 0.31 0.00 0.00 61.69 61.87 3gtl s THR 871 Cb -0.12 -0.60 -0.09 0.00 0.01 0.00 0.00 72.50 71.71 3gtl s THR 871 CO -0.03 0.06 1.02 -1.61 -0.69 0.00 0.00 174.62 173.37 3gtl s GLU 872 N 1.96 3.86 0.16 4.92 2.02 -1.26 -4.76 118.70 125.61 3gtl s GLU 872 Ca -0.05 1.27 0.01 0.00 0.02 0.00 0.00 54.97 56.21 3gtl s GLU 872 Cb -0.10 -2.11 -0.04 0.00 0.10 0.00 0.00 34.13 31.97 3gtl s GLU 872 CO -0.12 -0.37 0.03 0.99 0.02 0.00 0.00 175.26 175.81 3gtl s THR 873 N -2.10 0.42 -0.20 3.63 2.01 -1.21 -4.60 115.64 113.59 3gtl s THR 873 Ca 0.65 -1.95 -0.01 0.00 0.31 0.00 0.00 61.69 60.69 3gtl s THR 873 Cb -0.14 -2.11 0.01 0.00 0.01 0.00 0.00 72.50 70.26 3gtl s THR 873 CO 0.20 -0.45 -0.12 -0.36 -0.69 0.00 0.00 174.62 173.21 3gtl s PHE 874 N -3.83 2.88 -0.06 4.92 2.99 -1.26 -2.10 117.98 121.52 3gtl s PHE 874 Ca 0.25 -1.32 -0.29 0.00 0.00 0.00 0.00 56.93 55.56 3gtl s PHE 874 Cb 0.07 -2.01 0.10 0.00 0.00 0.00 0.00 43.02 41.17 3gtl s PHE 874 CO 0.03 -0.68 0.81 -1.83 -0.00 0.00 0.00 175.22 173.55 3gtl s GLU 875 N 1.38 0.88 -0.61 0.44 -1.05 -1.25 -4.57 118.70 113.92 3gtl s GLU 875 Ca 0.05 0.04 -0.23 0.00 -0.15 0.00 0.00 54.97 54.68 3gtl s GLU 875 Cb -0.14 0.41 0.06 0.00 -0.44 0.00 0.00 34.13 34.02 3gtl s GLU 875 CO -0.08 -0.31 0.95 0.21 0.95 0.00 0.00 175.26 176.98 3gtl s LYS 876 N -1.78 3.20 0.18 -4.83 2.20 -1.25 -4.05 119.74 113.40 3gtl s LYS 876 Ca -0.04 -0.59 -0.01 0.00 -0.36 0.00 0.00 55.97 54.97 3gtl s LYS 876 Cb -0.00 -4.15 0.04 0.00 -1.51 0.00 0.00 37.83 32.20 3gtl s LYS 876 CO 0.01 -1.68 0.25 -0.35 -0.36 0.00 0.00 175.35 173.23 3gtl n PRO 877 N 7.61 0.21 -3.10 4.03 -0.05 -1.26 -5.03 135.00 137.42 3gtl n PRO 877 Ca -0.02 -0.57 -0.05 0.00 -0.05 0.00 0.00 63.50 62.81 3gtl n PRO 877 Cb 0.46 -0.20 0.02 0.00 -0.05 0.00 0.00 33.50 33.73 3gtl n PRO 877 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3gtl n GLN 878 N -1.49 0.74 0.00 0.54 10.64 -1.26 -5.13 117.38 121.42 3gtl n GLN 878 Ca 0.04 -1.49 0.00 0.00 -1.83 0.00 0.00 57.00 53.71 3gtl n GLN 878 Cb 0.13 1.90 0.00 0.00 -0.86 0.00 0.00 30.24 31.41 3gtl n GLN 878 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 3gtl n ARG 879 N -0.43 0.00 -3.77 2.61 5.12 -1.26 -4.88 116.66 114.05 3gtl n ARG 879 Ca -0.05 0.00 -0.27 0.00 -1.93 0.00 0.00 57.85 55.60 3gtl n ARG 879 Cb 0.44 -0.11 0.05 0.00 -1.16 0.00 0.00 32.46 31.68 3gtl n ARG 879 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3gtl n THR 880 N 0.00 -2.51 0.00 0.55 -1.04 -1.26 -3.49 114.28 106.53 3gtl n THR 880 Ca 0.00 -0.01 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3gtl n THR 880 Cb 0.00 -3.39 0.00 0.00 -1.82 0.00 0.00 70.33 65.12 3gtl n THR 880 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 3gtl n ASN 881 N -2.92 0.00 -0.03 8.00 3.02 -1.26 0.37 115.26 122.43 3gtl n ASN 881 Ca 0.02 0.00 -0.22 0.00 -0.03 0.00 0.00 54.58 54.36 3gtl n ASN 881 Cb 0.54 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.58 3gtl n ASN 881 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3gtl n THR 882 N -2.00 1.70 -3.67 3.41 -1.04 -1.23 -4.49 114.28 106.96 3gtl n THR 882 Ca 0.00 -0.44 -0.20 0.00 -2.04 0.00 0.00 64.05 61.37 3gtl n THR 882 Cb 0.00 -1.84 -0.02 0.00 -1.82 0.00 0.00 70.33 66.65 3gtl n THR 882 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gtl n LEU 883 N -3.82 -0.28 -2.76 -4.42 -0.00 -1.26 -4.86 117.00 99.60 3gtl n LEU 883 Ca -0.32 -0.67 -0.25 0.00 -0.00 0.00 0.00 56.01 54.76 3gtl n LEU 883 Cb 0.92 -0.82 -0.02 0.00 -0.00 0.00 0.00 43.42 43.50 3gtl n LEU 883 CO 0.34 0.33 0.12 0.54 -0.00 0.00 0.00 177.39 178.72 3gtl n ARG 884 N -2.96 3.03 -4.09 1.47 1.74 -1.26 -5.09 116.66 109.50 3gtl n ARG 884 Ca -0.12 -4.53 -0.29 0.00 -0.77 0.00 0.00 57.85 52.14 3gtl n ARG 884 Cb 0.33 -2.15 -0.07 0.00 -1.02 0.00 0.00 32.46 29.55 3gtl n ARG 884 CO 0.00 0.00 0.00 -1.64 -1.52 0.00 0.00 177.63 174.47 3gtl s MET 885 N -3.41 2.76 0.96 5.56 1.00 -1.26 -4.03 119.30 120.89 3gtl s MET 885 Ca 0.47 -0.80 -0.11 0.00 0.00 0.00 0.00 55.69 55.25 3gtl s MET 885 Cb 0.34 -2.63 0.16 0.00 0.00 0.00 0.00 34.83 32.70 3gtl s MET 885 CO -0.14 0.53 1.06 1.63 0.00 0.00 0.00 175.02 178.10 3gtl n LYS 886 N 0.24 -0.74 -0.11 2.03 4.01 -1.26 -4.96 118.16 117.37 3gtl n LYS 886 Ca -0.09 -0.16 -0.12 0.00 -0.51 0.00 0.00 58.31 57.43 3gtl n LYS 886 Cb 0.53 -2.31 -0.03 0.00 -0.51 0.00 0.00 35.03 32.71 3gtl n LYS 886 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3gtl h HIS 887 N -1.99 0.76 -0.78 2.13 3.86 -1.99 -3.48 115.15 113.67 3gtl h HIS 887 Ca -0.46 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 58.57 3gtl h HIS 887 Cb 1.28 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.57 3gtl h HIS 887 CO 0.46 0.88 0.00 0.41 0.86 0.00 0.00 177.93 180.53 3gtl n GLY 888 N -0.05 -1.73 3.53 2.45 0.00 -1.25 -4.99 105.19 103.15 3gtl n GLY 888 Ca -0.03 -1.48 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 3gtl n GLY 888 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gtl s THR 889 N -0.12 4.62 0.06 2.61 2.01 -1.24 -4.91 115.64 118.67 3gtl s THR 889 Ca 0.00 0.32 -0.15 0.00 0.31 0.00 0.00 61.69 62.17 3gtl s THR 889 Cb 0.00 -4.36 -0.22 0.00 0.01 0.00 0.00 72.50 67.93 3gtl s THR 889 CO 0.00 -0.80 1.19 1.88 -0.69 0.00 0.00 174.62 176.19 3gtl h TYR 890 N 9.05 0.93 0.00 4.92 -1.99 -1.91 -1.76 116.97 126.20 3gtl h TYR 890 Ca -0.25 -0.48 0.00 0.00 2.00 0.00 0.00 58.73 59.99 3gtl h TYR 890 Cb 1.08 -0.11 0.00 0.00 2.00 0.00 0.00 36.73 39.70 3gtl h TYR 890 CO 0.82 1.31 0.86 -0.44 -0.00 0.00 0.00 178.16 180.71 3gtl h ASP 891 N 0.28 0.00 -0.14 3.88 3.32 -1.95 -0.13 116.42 121.68 3gtl h ASP 891 Ca -0.10 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3gtl h ASP 891 Cb 1.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.08 3gtl h ASP 891 CO 0.17 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.98 3gtl n LYS 892 N -2.20 1.70 -4.77 3.56 5.02 -1.26 -4.80 118.16 115.41 3gtl n LYS 892 Ca -0.00 -0.67 -0.33 0.00 -2.02 0.00 0.00 58.31 55.29 3gtl n LYS 892 Cb 0.86 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 34.26 3gtl n LYS 892 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gtl s LEU 893 N -0.76 2.80 0.28 -0.35 1.43 -0.06 -4.23 118.68 117.79 3gtl s LEU 893 Ca 0.12 -0.25 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3gtl s LEU 893 Cb 0.08 -1.61 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 3gtl s LEU 893 CO 0.05 0.24 0.41 -1.81 0.23 0.00 0.00 176.35 175.46 3gtl s ASP 894 N -0.07 6.22 0.41 2.29 1.01 -1.13 -4.93 116.67 120.46 3gtl s ASP 894 Ca -0.02 0.03 0.31 0.00 0.71 0.00 0.00 52.55 53.58 3gtl s ASP 894 Cb -0.14 -1.70 1.37 0.00 1.01 0.00 0.00 42.92 43.46 3gtl s ASP 894 CO 0.04 -0.20 1.41 0.47 0.21 0.00 0.00 175.17 177.10 3gtl n ASP 895 N -1.51 0.18 0.14 0.27 10.43 -1.26 0.31 116.55 125.10 3gtl n ASP 895 Ca -0.06 1.23 0.13 0.00 2.57 0.00 0.00 54.79 58.66 3gtl n ASP 895 Cb 0.57 -0.61 0.46 0.00 1.84 0.00 0.00 41.12 43.39 3gtl n ASP 895 CO 0.00 0.00 0.00 -2.24 -1.07 0.00 0.00 177.20 173.89 3gtl h ASP 896 N 0.00 0.00 0.00 -2.24 3.04 -1.95 -3.33 116.42 111.94 3gtl h ASP 896 Ca 0.80 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.59 3gtl h ASP 896 Cb 2.63 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.92 3gtl h ASP 896 CO -0.39 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.42 3gtl n GLY 897 N 0.52 1.29 3.26 7.15 0.00 0.15 -3.81 105.19 113.74 3gtl n GLY 897 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 3gtl n GLY 897 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtl s LEU 898 N 0.00 2.31 1.21 0.99 1.43 -1.22 -2.01 118.68 121.38 3gtl s LEU 898 Ca 0.00 -0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 52.28 3gtl s LEU 898 Cb 0.00 -0.76 0.30 0.00 0.03 0.00 0.00 46.19 45.76 3gtl s LEU 898 CO 0.00 0.01 1.01 -0.63 0.23 0.00 0.00 176.35 176.97 3gtl s ILE 899 N -1.30 1.94 -0.02 -0.59 1.09 -1.21 -2.83 121.20 118.28 3gtl s ILE 899 Ca 0.05 0.00 0.03 0.00 -1.10 0.00 0.00 60.65 59.63 3gtl s ILE 899 Cb -0.09 -2.05 -0.00 0.00 -1.06 0.00 0.00 42.46 39.25 3gtl s ILE 899 CO 0.04 0.00 -0.11 0.00 -0.10 0.00 0.00 174.94 174.76 3gtl s ALA 900 N -2.43 1.01 0.04 9.38 0.00 -1.26 -4.93 121.76 123.58 3gtl s ALA 900 Ca 0.69 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.18 3gtl s ALA 900 Cb -0.24 -0.31 0.00 0.00 0.00 0.00 0.00 23.12 22.56 3gtl s ALA 900 CO 0.65 0.21 0.07 -2.30 0.00 0.00 0.00 175.76 174.39 3gtl n PRO 901 N 3.03 0.00 0.15 0.00 -0.02 -1.26 -1.98 135.00 134.93 3gtl n PRO 901 Ca -0.16 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.26 3gtl n PRO 901 Cb 0.55 -0.22 -0.07 0.00 -0.02 0.00 0.00 33.50 33.74 3gtl n PRO 901 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3gtl h GLY 902 N 0.00 -0.45 -2.57 -1.23 0.00 -1.92 -3.40 103.07 93.50 3gtl h GLY 902 Ca 0.00 0.17 -0.50 0.00 0.00 0.00 0.00 47.33 46.99 3gtl h GLY 902 CO 0.00 -0.16 0.47 0.14 0.00 0.00 0.00 176.54 176.99 3gtl s VAL 903 N -3.92 3.15 0.12 4.60 1.01 -0.84 -4.54 120.40 119.98 3gtl s VAL 903 Ca -0.12 0.82 -0.28 0.00 0.00 0.00 0.00 61.98 62.40 3gtl s VAL 903 Cb 0.01 -3.40 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 3gtl s VAL 903 CO 0.44 -0.05 0.88 -0.13 0.00 0.00 0.00 175.10 176.24 3gtl s ARG 904 N -2.84 4.65 -0.01 2.72 0.52 -1.26 -1.19 118.95 121.55 3gtl s ARG 904 Ca 0.66 1.31 0.06 0.00 -0.52 0.00 0.00 55.73 57.24 3gtl s ARG 904 Cb -0.27 -3.34 -0.02 0.00 0.52 0.00 0.00 34.95 31.84 3gtl s ARG 904 CO 0.32 0.33 -0.19 0.08 0.02 0.00 0.00 175.30 175.87 3gtl s VAL 905 N -0.36 1.47 0.38 3.52 1.01 0.33 -4.96 120.40 121.79 3gtl s VAL 905 Ca 0.42 -0.82 -0.10 0.00 0.00 0.00 0.00 61.98 61.47 3gtl s VAL 905 Cb -0.23 -1.23 0.04 0.00 0.00 0.00 0.00 36.38 34.96 3gtl s VAL 905 CO 0.28 0.39 0.68 -0.44 0.00 0.00 0.00 175.10 176.01 3gtl s SER 906 N -0.50 0.39 0.99 3.32 0.01 -1.26 0.94 113.70 117.59 3gtl s SER 906 Ca 0.07 -1.31 0.00 0.00 1.31 0.00 0.00 55.95 56.02 3gtl s SER 906 Cb -0.07 0.79 0.00 0.00 0.21 0.00 0.00 66.02 66.95 3gtl s SER 906 CO -0.00 -1.57 0.00 0.61 0.41 0.00 0.00 173.24 172.69 3gtl n GLY 907 N -0.55 1.00 1.93 3.44 0.00 -0.87 -2.74 105.19 107.39 3gtl n GLY 907 Ca -0.05 -0.69 -0.14 0.00 0.00 0.00 0.00 46.02 45.13 3gtl n GLY 907 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3gtl n GLU 908 N 0.00 1.76 -1.53 1.61 0.28 -1.26 -4.49 120.64 117.00 3gtl n GLU 908 Ca 0.00 -1.32 -0.38 0.00 -0.16 0.00 0.00 57.16 55.30 3gtl n GLU 908 Cb 0.00 -1.62 0.04 0.00 1.43 0.00 0.00 31.44 31.29 3gtl n GLU 908 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3gtl n ASP 909 N 0.91 -0.17 -4.89 -1.84 8.00 -1.11 -3.59 116.55 113.86 3gtl n ASP 909 Ca 0.28 0.79 -0.30 0.00 0.71 0.00 0.00 54.79 56.27 3gtl n ASP 909 Cb 0.59 -1.27 -0.04 0.00 -0.02 0.00 0.00 41.12 40.38 3gtl n ASP 909 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3gtl s VAL 910 N -1.60 5.02 0.00 2.53 1.01 -0.66 -2.07 120.40 124.63 3gtl s VAL 910 Ca 0.71 0.20 0.00 0.00 0.00 0.00 0.00 61.98 62.89 3gtl s VAL 910 Cb -0.45 -3.67 0.00 0.00 0.00 0.00 0.00 36.38 32.26 3gtl s VAL 910 CO 0.52 -0.16 0.00 -0.38 0.00 0.00 0.00 175.10 175.07 3gtl n ILE 911 N -0.46 0.00 -3.71 2.22 5.41 -1.23 -4.83 119.36 116.76 3gtl n ILE 911 Ca -0.01 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.61 3gtl n ILE 911 Cb 0.53 -0.62 -0.13 0.00 -0.71 0.00 0.00 39.64 38.71 3gtl n ILE 911 CO 0.00 0.00 0.00 -0.63 0.00 0.00 0.00 176.55 175.92 3gtl s ILE 912 N -1.67 -0.14 0.25 1.39 1.01 -1.26 -3.28 121.20 117.49 3gtl s ILE 912 Ca 0.00 0.19 0.06 0.00 0.00 0.00 0.00 60.65 60.90 3gtl s ILE 912 Cb 0.00 -0.39 -0.03 0.00 0.01 0.00 0.00 42.46 42.05 3gtl s ILE 912 CO 0.00 0.08 0.23 -0.83 0.00 0.00 0.00 174.94 174.42 3gtl s GLY 913 N 1.59 1.37 -0.19 6.18 0.00 -0.85 -1.39 107.32 114.02 3gtl s GLY 913 Ca -0.06 -1.37 -0.32 0.00 0.00 0.00 0.00 44.72 42.97 3gtl s GLY 913 CO -0.08 -1.40 1.17 -1.59 0.00 0.00 0.00 173.10 171.19 3gtl s LYS 914 N -3.85 0.35 -0.05 2.90 -2.85 -1.26 -4.12 119.74 110.86 3gtl s LYS 914 Ca 0.33 -0.03 -0.00 0.00 -1.00 0.00 0.00 55.97 55.27 3gtl s LYS 914 Cb -0.08 0.16 0.03 0.00 -2.06 0.00 0.00 37.83 35.88 3gtl s LYS 914 CO 0.26 -0.13 -0.00 0.95 0.10 0.00 0.00 175.35 176.52 3gtl s THR 915 N -1.76 0.29 -0.56 3.79 -4.23 -0.89 -0.85 115.64 111.43 3gtl s THR 915 Ca 0.06 0.10 -0.18 0.00 -1.18 0.00 0.00 61.69 60.49 3gtl s THR 915 Cb -0.01 -0.42 0.11 0.00 1.34 0.00 0.00 72.50 73.52 3gtl s THR 915 CO -0.04 0.21 0.60 0.28 -0.54 0.00 0.00 174.62 175.13 3gtl s THR 916 N 1.51 4.99 -0.77 3.99 -1.32 0.06 -3.30 115.64 120.81 3gtl s THR 916 Ca -0.02 -1.13 -0.26 0.00 -1.21 0.00 0.00 61.69 59.07 3gtl s THR 916 Cb -0.13 -4.39 -0.00 0.00 -1.51 0.00 0.00 72.50 66.46 3gtl s THR 916 CO -0.03 -0.96 1.68 -2.84 -2.21 0.00 0.00 174.62 170.26 3gtl s PRO 917 N 2.22 2.88 -0.21 7.08 0.02 -1.26 -1.57 135.00 144.17 3gtl s PRO 917 Ca 0.08 -0.06 -0.12 0.00 0.02 0.00 0.00 61.00 60.93 3gtl s PRO 917 Cb -0.26 -4.64 -0.05 0.00 0.02 0.00 0.00 34.50 29.58 3gtl s PRO 917 CO 0.06 -2.67 0.21 0.42 -0.33 0.00 0.00 177.00 174.68 3gtl s ILE 918 N 7.93 5.34 -0.69 2.83 -1.09 -1.26 -4.90 121.20 129.35 3gtl s ILE 918 Ca 0.57 0.32 -0.12 0.00 -2.23 0.00 0.00 60.65 59.19 3gtl s ILE 918 Cb -0.08 -3.54 0.18 0.00 -1.58 0.00 0.00 42.46 37.43 3gtl s ILE 918 CO 0.10 0.37 0.61 -0.55 -1.23 0.00 0.00 174.94 174.23 3gtl s SER 919 N 0.75 6.25 -0.18 3.58 0.15 -1.26 -4.83 113.70 118.16 3gtl s SER 919 Ca 0.11 -2.46 -0.16 0.00 0.70 0.00 0.00 55.95 54.14 3gtl s SER 919 Cb -0.13 -2.12 -0.06 0.00 -1.71 0.00 0.00 66.02 62.00 3gtl s SER 919 CO 0.03 -0.60 -0.31 -1.54 1.20 0.00 0.00 173.24 172.01 3gtl n SER 933 N 4.24 1.92 -4.39 5.45 3.41 0.16 -5.25 113.62 119.15 3gtl n SER 933 Ca 0.05 0.39 -0.44 0.00 -0.26 0.00 0.00 58.87 58.60 3gtl n SER 933 Cb 0.43 -0.77 -0.08 0.00 -0.26 0.00 0.00 64.21 63.53 3gtl n SER 933 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3gtl s LYS 934 N -2.75 2.98 0.49 4.33 1.02 -1.25 -4.32 119.74 120.24 3gtl s LYS 934 Ca -0.27 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.17 3gtl s LYS 934 Cb 0.04 -4.14 -0.08 0.00 -0.52 0.00 0.00 37.83 33.14 3gtl s LYS 934 CO 0.40 -1.04 1.03 1.03 -0.92 0.00 0.00 175.35 175.86 3gtl s ARG 935 N 1.66 3.79 0.09 1.68 0.52 -0.61 -4.61 118.95 121.47 3gtl s ARG 935 Ca 0.04 1.34 -0.15 0.00 -0.52 0.00 0.00 55.73 56.44 3gtl s ARG 935 Cb -0.24 -2.09 -0.06 0.00 0.52 0.00 0.00 34.95 33.07 3gtl s ARG 935 CO 0.07 -0.44 0.51 0.34 0.02 0.00 0.00 175.30 175.80 3gtl s ASP 936 N -2.06 6.86 -0.28 0.23 -1.08 -1.26 -0.76 116.67 118.32 3gtl s ASP 936 Ca 0.67 1.07 0.21 0.00 -0.52 0.00 0.00 52.55 53.97 3gtl s ASP 936 Cb -0.16 -2.29 0.49 0.00 -1.46 0.00 0.00 42.92 39.51 3gtl s ASP 936 CO 0.21 0.20 1.08 0.00 0.52 0.00 0.00 175.17 177.18 3gtl n ALA 937 N 1.26 2.82 -1.92 3.66 0.00 -0.03 -4.87 120.51 121.43 3gtl n ALA 937 Ca -0.09 -2.80 -0.30 0.00 0.00 0.00 0.00 53.44 50.25 3gtl n ALA 937 Cb 0.52 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 19.09 3gtl n ALA 937 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gtl s SER 938 N -3.50 5.98 -0.36 0.00 1.04 -1.25 -4.39 113.70 111.21 3gtl s SER 938 Ca 0.26 1.26 0.00 0.00 0.48 0.00 0.00 55.95 57.96 3gtl s SER 938 Cb 0.37 -2.26 0.12 0.00 0.10 0.00 0.00 66.02 64.34 3gtl s SER 938 CO -0.02 -0.99 0.15 -0.89 0.98 0.00 0.00 173.24 172.47 3gtl s THR 939 N -3.19 1.07 0.81 2.02 2.01 -0.49 -4.99 115.64 112.88 3gtl s THR 939 Ca 0.55 -1.87 -0.11 0.00 0.31 0.00 0.00 61.69 60.57 3gtl s THR 939 Cb -0.11 -1.78 0.08 0.00 0.01 0.00 0.00 72.50 70.70 3gtl s THR 939 CO 0.52 -0.77 1.12 -2.84 -0.69 0.00 0.00 174.62 171.96 3gtl s PRO 940 N 1.10 1.89 0.71 4.92 0.02 -1.26 -3.57 135.00 138.81 3gtl s PRO 940 Ca 0.13 1.35 -0.15 0.00 0.02 0.00 0.00 61.00 62.35 3gtl s PRO 940 Cb -0.20 -1.84 0.03 0.00 0.02 0.00 0.00 34.50 32.50 3gtl s PRO 940 CO -0.14 -1.95 1.17 -1.17 -0.33 0.00 0.00 177.00 174.59 3gtl s LEU 941 N -6.02 3.33 -0.41 -5.54 1.98 -0.88 -4.86 118.68 106.28 3gtl s LEU 941 Ca 0.64 2.24 -0.43 0.00 -2.89 0.00 0.00 54.13 53.69 3gtl s LEU 941 Cb -0.20 -4.58 -0.17 0.00 0.66 0.00 0.00 46.19 41.90 3gtl s LEU 941 CO 0.55 -2.08 1.84 0.54 -1.89 0.00 0.00 176.35 175.31 3gtl n ARG 942 N -2.65 0.51 0.00 1.98 5.12 -1.26 -4.70 116.66 115.66 3gtl n ARG 942 Ca 0.12 0.17 0.00 0.00 -1.93 0.00 0.00 57.85 56.22 3gtl n ARG 942 Cb 0.51 -1.82 0.00 0.00 -1.16 0.00 0.00 32.46 29.99 3gtl n ARG 942 CO 0.00 0.00 0.00 -1.13 -1.93 0.00 0.00 177.63 174.57 3gtl n SER 943 N 5.92 0.00 0.00 0.55 3.41 -1.26 0.14 113.62 122.38 3gtl n SER 943 Ca 0.36 0.13 0.04 0.00 -0.26 0.00 0.00 58.87 59.14 3gtl n SER 943 Cb 0.04 -0.13 -0.11 0.00 -0.26 0.00 0.00 64.21 63.75 3gtl n SER 943 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3gtl n THR 944 N -1.05 0.70 -4.32 6.66 -1.04 -1.26 -4.86 114.28 109.11 3gtl n THR 944 Ca 0.00 -0.63 -0.14 0.00 -2.04 0.00 0.00 64.05 61.24 3gtl n THR 944 Cb 0.25 -0.35 -0.03 0.00 -1.82 0.00 0.00 70.33 68.39 3gtl n THR 944 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3gtl n GLU 945 N -2.60 1.48 -3.55 -2.82 1.02 0.37 -5.00 120.64 109.54 3gtl n GLU 945 Ca -0.10 -1.57 -0.11 0.00 -0.02 0.00 0.00 57.16 55.36 3gtl n GLU 945 Cb 0.75 0.42 -0.04 0.00 -0.02 0.00 0.00 31.44 32.55 3gtl n GLU 945 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gtl s ASN 946 N -2.19 -0.40 0.00 1.62 4.22 -1.26 -2.06 114.94 114.88 3gtl s ASN 946 Ca 0.00 0.31 0.00 0.00 -2.14 0.00 0.00 52.86 51.04 3gtl s ASN 946 Cb -0.00 0.36 0.00 0.00 1.28 0.00 0.00 41.25 42.89 3gtl s ASN 946 CO 0.00 -0.46 0.00 0.61 -2.04 0.00 0.00 177.10 175.21 3gtl n GLY 947 N 0.45 1.42 3.81 0.45 0.00 0.27 -4.57 105.19 107.02 3gtl n GLY 947 Ca -0.11 -1.53 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 3gtl n GLY 947 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gtl s ILE 948 N -1.75 5.25 0.27 -0.61 1.09 0.41 0.12 121.20 125.98 3gtl s ILE 948 Ca 0.00 0.12 -0.29 0.00 -1.10 0.00 0.00 60.65 59.37 3gtl s ILE 948 Cb 0.00 -3.30 -0.10 0.00 -1.06 0.00 0.00 42.46 38.01 3gtl s ILE 948 CO 0.00 0.58 1.27 -0.69 -0.10 0.00 0.00 174.94 176.00 3gtl s VAL 949 N -0.73 3.07 -0.03 2.92 1.01 -0.33 0.82 120.40 127.13 3gtl s VAL 949 Ca 0.13 0.98 -0.06 0.00 0.00 0.00 0.00 61.98 63.03 3gtl s VAL 949 Cb -0.12 -3.63 -0.02 0.00 0.00 0.00 0.00 36.38 32.61 3gtl s VAL 949 CO 0.03 0.20 -0.12 -0.67 0.00 0.00 0.00 175.10 174.54 3gtl n ASP 950 N 1.63 0.92 -4.32 3.32 4.64 -1.01 -4.48 116.55 117.25 3gtl n ASP 950 Ca 0.02 0.14 -0.17 0.00 -1.38 0.00 0.00 54.79 53.40 3gtl n ASP 950 Cb 0.43 -0.45 -0.10 0.00 -1.04 0.00 0.00 41.12 39.96 3gtl n ASP 950 CO 0.00 0.00 0.00 -1.10 -0.82 0.00 0.00 177.20 175.28 3gtl s GLN 951 N -1.88 1.26 0.39 -0.67 -0.21 -1.24 -4.72 119.66 112.59 3gtl s GLN 951 Ca -0.10 -1.56 0.08 0.00 0.02 0.00 0.00 55.36 53.81 3gtl s GLN 951 Cb 0.01 -0.98 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 3gtl s GLN 951 CO 0.14 0.15 0.22 0.08 -2.12 0.00 0.00 175.29 173.77 3gtl s VAL 952 N -3.07 2.64 -0.24 1.09 1.01 -1.26 -2.53 120.40 118.04 3gtl s VAL 952 Ca 0.21 -1.59 -0.03 0.00 0.00 0.00 0.00 61.98 60.57 3gtl s VAL 952 Cb 0.00 -3.00 0.12 0.00 0.00 0.00 0.00 36.38 33.50 3gtl s VAL 952 CO 0.05 -0.06 0.29 -0.22 0.00 0.00 0.00 175.10 175.16 3gtl s LEU 953 N -3.95 -0.30 -0.23 3.92 0.20 -1.01 -4.95 118.68 112.36 3gtl s LEU 953 Ca 0.42 -0.26 -0.09 0.00 0.69 0.00 0.00 54.13 54.88 3gtl s LEU 953 Cb -0.00 0.63 -0.05 0.00 -0.43 0.00 0.00 46.19 46.34 3gtl s LEU 953 CO 0.24 -0.34 0.13 -0.69 -0.29 0.00 0.00 176.35 175.40 3gtl s VAL 954 N 2.40 5.10 0.35 1.68 1.01 -1.26 -0.95 120.40 128.72 3gtl s VAL 954 Ca 0.09 0.09 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3gtl s VAL 954 Cb -0.15 -3.36 0.04 0.00 0.00 0.00 0.00 36.38 32.91 3gtl s VAL 954 CO -0.19 0.37 0.74 -0.89 0.00 0.00 0.00 175.10 175.13 3gtl s THR 955 N 0.96 0.00 0.27 3.92 2.01 -0.23 -5.02 115.64 117.56 3gtl s THR 955 Ca 0.06 -1.06 0.12 0.00 0.31 0.00 0.00 61.69 61.12 3gtl s THR 955 Cb -0.13 -2.63 -0.05 0.00 0.01 0.00 0.00 72.50 69.70 3gtl s THR 955 CO 0.03 0.00 -0.18 0.28 -0.69 0.00 0.00 174.62 174.06 3gtl s THR 956 N -2.81 2.58 0.11 -0.82 -1.32 -1.25 0.50 115.64 112.62 3gtl s THR 956 Ca 0.16 -2.33 0.04 0.00 -1.21 0.00 0.00 61.69 58.35 3gtl s THR 956 Cb -0.05 -2.35 -0.04 0.00 -1.51 0.00 0.00 72.50 68.56 3gtl s THR 956 CO 0.11 -0.38 0.09 0.21 -2.21 0.00 0.00 174.62 172.44 3gtl s ASN 957 N -3.46 5.48 0.09 8.08 2.47 0.11 -4.82 114.94 122.89 3gtl s ASN 957 Ca 0.29 -0.06 -0.05 0.00 0.42 0.00 0.00 52.86 53.47 3gtl s ASN 957 Cb -0.05 -1.45 0.11 0.00 -1.45 0.00 0.00 41.25 38.41 3gtl s ASN 957 CO 0.15 0.14 0.53 0.00 -3.72 0.00 0.00 177.10 174.20 3gtl n GLN 958 N 0.23 -0.06 0.00 0.43 6.02 -1.26 0.12 117.38 122.86 3gtl n GLN 958 Ca -0.09 0.52 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 3gtl n GLN 958 Cb 0.53 -0.78 0.00 0.00 1.02 0.00 0.00 30.24 31.01 3gtl n GLN 958 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3gtl n ASP 959 N -4.52 0.41 -1.78 1.08 -0.08 -1.26 -3.14 116.55 107.26 3gtl n ASP 959 Ca 0.04 -1.51 -0.04 0.00 -1.51 0.00 0.00 54.79 51.78 3gtl n ASP 959 Cb 0.15 -0.21 0.02 0.00 2.34 0.00 0.00 41.12 43.42 3gtl n ASP 959 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3gtl n GLY 960 N 0.18 0.38 3.08 0.27 0.00 0.32 -5.02 105.19 104.41 3gtl n GLY 960 Ca 0.00 -0.17 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 3gtl n GLY 960 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtl s LEU 961 N -3.35 2.73 -0.12 0.99 1.43 -0.71 -4.85 118.68 114.80 3gtl s LEU 961 Ca 0.07 -1.01 -0.29 0.00 -1.03 0.00 0.00 54.13 51.87 3gtl s LEU 961 Cb -0.01 -1.47 -0.07 0.00 0.03 0.00 0.00 46.19 44.67 3gtl s LEU 961 CO 0.17 -0.10 2.13 1.17 0.23 0.00 0.00 176.35 179.94 3gtl n LYS 962 N 4.55 2.32 -3.75 1.70 4.81 -1.26 0.09 118.16 126.61 3gtl n LYS 962 Ca -0.17 0.74 -0.14 0.00 -0.87 0.00 0.00 58.31 57.87 3gtl n LYS 962 Cb 0.46 -3.15 -0.15 0.00 0.02 0.00 0.00 35.03 32.21 3gtl n LYS 962 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3gtl s PHE 963 N 6.82 -0.13 0.28 5.64 5.36 0.18 -2.53 117.98 133.61 3gtl s PHE 963 Ca 0.96 0.41 0.11 0.00 -0.96 0.00 0.00 56.93 57.45 3gtl s PHE 963 Cb -0.37 -0.11 -0.05 0.00 -0.34 0.00 0.00 43.02 42.15 3gtl s PHE 963 CO 0.38 -0.15 -0.13 0.08 -1.46 0.00 0.00 175.22 173.94 3gtl s VAL 964 N 1.12 2.78 -0.36 3.12 1.01 -0.91 -1.07 120.40 126.10 3gtl s VAL 964 Ca -0.09 -2.24 0.02 0.00 0.00 0.00 0.00 61.98 59.67 3gtl s VAL 964 Cb -0.11 -2.49 0.15 0.00 0.00 0.00 0.00 36.38 33.93 3gtl s VAL 964 CO -0.05 -0.38 0.33 -0.54 0.00 0.00 0.00 175.10 174.46 3gtl s LYS 965 N -3.57 0.57 -0.19 2.72 1.02 -0.13 -2.28 119.74 117.89 3gtl s LYS 965 Ca 0.31 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.26 3gtl s LYS 965 Cb -0.05 -0.82 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 3gtl s LYS 965 CO 0.17 -1.17 0.60 0.08 -0.92 0.00 0.00 175.35 174.10 3gtl s VAL 966 N 1.50 5.05 -0.09 3.17 1.01 0.67 -2.41 120.40 129.31 3gtl s VAL 966 Ca 0.16 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.27 3gtl s VAL 966 Cb -0.16 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 3gtl s VAL 966 CO -0.07 0.14 -0.11 -0.60 0.00 0.00 0.00 175.10 174.46 3gtl s ARG 967 N 1.78 2.91 0.20 2.72 3.52 -1.05 0.70 118.95 129.74 3gtl s ARG 967 Ca 0.27 -0.63 0.10 0.00 -0.13 0.00 0.00 55.73 55.35 3gtl s ARG 967 Cb -0.16 -2.56 -0.04 0.00 -1.56 0.00 0.00 34.95 30.63 3gtl s ARG 967 CO 0.10 0.50 -0.17 0.08 -0.81 0.00 0.00 175.30 175.01 3gtl s VAL 968 N -0.39 2.75 -0.03 7.11 1.01 -0.45 -2.40 120.40 127.99 3gtl s VAL 968 Ca 0.05 -1.93 0.02 0.00 0.00 0.00 0.00 61.98 60.12 3gtl s VAL 968 Cb -0.12 -2.36 0.01 0.00 0.00 0.00 0.00 36.38 33.90 3gtl s VAL 968 CO 0.02 -0.17 -0.09 -0.60 0.00 0.00 0.00 175.10 174.27 3gtl s ARG 969 N -2.90 1.02 0.18 2.72 3.52 0.24 -1.03 118.95 122.70 3gtl s ARG 969 Ca 0.24 -0.28 0.11 0.00 -0.13 0.00 0.00 55.73 55.67 3gtl s ARG 969 Cb -0.08 -0.94 -0.04 0.00 -1.56 0.00 0.00 34.95 32.33 3gtl s ARG 969 CO 0.13 0.07 -0.22 0.95 -0.81 0.00 0.00 175.30 175.42 3gtl s THR 970 N 0.35 2.47 0.01 4.11 -4.23 -0.40 0.16 115.64 118.11 3gtl s THR 970 Ca -0.06 -1.93 -0.28 0.00 -1.18 0.00 0.00 61.69 58.24 3gtl s THR 970 Cb -0.10 -2.18 -0.04 0.00 1.34 0.00 0.00 72.50 71.52 3gtl s THR 970 CO 0.01 -0.08 0.91 -0.89 -0.54 0.00 0.00 174.62 174.03 3gtl s THR 971 N -1.58 4.82 -0.25 3.99 2.01 -1.26 0.22 115.64 123.59 3gtl s THR 971 Ca 0.20 1.92 -0.09 0.00 0.31 0.00 0.00 61.69 64.04 3gtl s THR 971 Cb -0.08 -4.26 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3gtl s THR 971 CO 0.10 0.22 0.12 -0.54 -0.69 0.00 0.00 174.62 173.83 3gtl s LYS 972 N 0.70 3.86 -0.20 4.92 1.02 -0.99 -4.90 119.74 124.15 3gtl s LYS 972 Ca 0.48 -0.37 -0.08 0.00 0.02 0.00 0.00 55.97 56.01 3gtl s LYS 972 Cb -0.21 -3.44 -0.04 0.00 -0.52 0.00 0.00 37.83 33.62 3gtl s LYS 972 CO 0.26 -0.07 0.09 0.96 -0.92 0.00 0.00 175.35 175.67 3gtl s ILE 973 N 1.36 4.87 0.29 2.17 -4.36 -1.26 -1.39 121.20 122.88 3gtl s ILE 973 Ca 0.06 0.00 -0.29 0.00 -0.26 0.00 0.00 60.65 60.16 3gtl s ILE 973 Cb -0.15 -3.22 -0.10 0.00 1.25 0.00 0.00 42.46 40.24 3gtl s ILE 973 CO 0.06 0.42 1.21 -2.16 0.24 0.00 0.00 174.94 174.71 3gtl s PRO 974 N 0.65 4.49 0.20 0.37 0.04 -1.26 -4.99 135.00 134.49 3gtl s PRO 974 Ca 0.04 2.01 -0.04 0.00 0.04 0.00 0.00 61.00 63.05 3gtl s PRO 974 Cb -0.13 -3.14 -0.03 0.00 0.04 0.00 0.00 34.50 31.24 3gtl s PRO 974 CO 0.01 -0.02 0.21 -1.14 0.04 0.00 0.00 177.00 176.10 3gtl s GLN 975 N -1.40 1.23 0.50 4.56 -0.44 -1.26 -5.05 119.66 117.80 3gtl s GLN 975 Ca 0.48 -1.48 0.07 0.00 -2.50 0.00 0.00 55.36 51.93 3gtl s GLN 975 Cb -0.36 0.32 0.25 0.00 -1.64 0.00 0.00 33.01 31.58 3gtl s GLN 975 CO 0.46 -0.43 0.86 1.51 0.50 0.00 0.00 175.29 178.19 3gtl n ILE 976 N -0.26 0.00 0.38 -2.34 0.13 -1.26 -0.44 119.36 115.57 3gtl n ILE 976 Ca -0.01 0.85 0.04 0.00 -1.10 0.00 0.00 62.75 62.53 3gtl n ILE 976 Cb 0.65 -1.63 -0.03 0.00 -0.84 0.00 0.00 39.64 37.79 3gtl n ILE 976 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 3gtl n GLY 977 N -1.36 0.05 3.56 4.50 0.00 -1.26 -2.18 105.19 108.49 3gtl n GLY 977 Ca 0.06 -0.24 -0.23 0.00 0.00 0.00 0.00 46.02 45.62 3gtl n GLY 977 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gtl s ASP 978 N -1.52 4.28 -0.03 1.61 1.01 0.42 -3.88 116.67 118.56 3gtl s ASP 978 Ca 0.05 0.26 -0.07 0.00 0.71 0.00 0.00 52.55 53.50 3gtl s ASP 978 Cb 0.06 -2.54 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 3gtl s ASP 978 CO 0.28 -3.37 0.21 1.17 0.21 0.00 0.00 175.17 173.67 3gtl n LYS 979 N 8.90 0.00 0.00 8.23 3.00 -1.26 -3.57 118.16 133.46 3gtl n LYS 979 Ca 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.72 3gtl n LYS 979 Cb 0.47 -0.24 0.00 0.00 0.00 0.00 0.00 35.03 35.26 3gtl n LYS 979 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 3gtl n PHE 980 N 0.42 0.00 0.00 5.64 3.01 0.61 -3.78 117.46 123.36 3gtl n PHE 980 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 3gtl n PHE 980 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3gtl n PHE 980 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3gtl n ALA 981 N -3.00 0.00 -1.98 4.37 0.00 -1.21 -3.61 120.51 115.09 3gtl n ALA 981 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gtl n ALA 981 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3gtl n ALA 981 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3gtl n SER 982 N 0.00 0.00 0.00 0.00 3.41 -1.25 -2.01 113.62 113.77 3gtl n SER 982 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3gtl n SER 982 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3gtl n SER 982 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gtl n ARG 983 N 0.00 0.94 -2.53 4.33 0.63 -1.26 -3.29 116.66 115.48 3gtl n ARG 983 Ca 0.00 -0.79 -0.10 0.00 -0.92 0.00 0.00 57.85 56.04 3gtl n ARG 983 Cb 0.00 -0.69 0.04 0.00 0.45 0.00 0.00 32.46 32.25 3gtl n ARG 983 CO 0.00 0.00 0.00 0.72 -2.51 0.00 0.00 177.63 175.84 3gtl n HIS 984 N -0.17 1.85 -0.44 -0.14 8.25 -1.26 -4.80 115.22 118.51 3gtl n HIS 984 Ca 0.00 -2.27 0.00 0.00 -0.26 0.00 0.00 57.72 55.19 3gtl n HIS 984 Cb 0.37 -0.27 0.00 0.00 1.12 0.00 0.00 29.99 31.21 3gtl n HIS 984 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtl n GLY 985 N -0.59 0.85 1.76 -1.41 0.00 -1.25 -4.81 105.19 99.74 3gtl n GLY 985 Ca 0.21 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.23 3gtl n GLY 985 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3gtl n GLN 986 N -2.00 0.53 -1.47 1.61 0.00 -1.26 -4.90 117.38 109.89 3gtl n GLN 986 Ca 0.00 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.00 56.61 3gtl n GLN 986 Cb 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 30.24 29.02 3gtl n GLN 986 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.06 177.42 3gtl n LYS 987 N 1.78 0.56 0.00 3.69 2.85 -1.26 -3.78 118.16 122.00 3gtl n LYS 987 Ca 0.01 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.49 3gtl n LYS 987 Cb 0.26 -1.85 0.00 0.00 -0.65 0.00 0.00 35.03 32.79 3gtl n LYS 987 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtl n GLY 988 N 1.63 0.81 3.69 2.58 0.00 -1.26 -4.88 105.19 107.75 3gtl n GLY 988 Ca 0.12 -0.60 -0.24 0.00 0.00 0.00 0.00 46.02 45.30 3gtl n GLY 988 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gtl s THR 989 N -2.00 3.76 1.10 2.61 -4.23 -1.26 0.23 115.64 115.86 3gtl s THR 989 Ca 0.00 -1.59 -0.16 0.00 -1.18 0.00 0.00 61.69 58.76 3gtl s THR 989 Cb 0.00 -2.96 0.15 0.00 1.34 0.00 0.00 72.50 71.03 3gtl s THR 989 CO 0.00 -0.25 0.42 -0.38 -0.54 0.00 0.00 174.62 173.87 3gtl n ILE 990 N -0.60 0.00 0.00 2.99 5.41 -1.23 -1.64 119.36 124.29 3gtl n ILE 990 Ca -0.08 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.36 3gtl n ILE 990 Cb 0.57 -0.74 0.00 0.00 -0.71 0.00 0.00 39.64 38.76 3gtl n ILE 990 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gtl n GLY 991 N 1.56 -0.06 3.42 7.39 0.00 -0.88 -4.14 105.19 112.49 3gtl n GLY 991 Ca 0.03 0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 3gtl n GLY 991 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gtl s ILE 992 N -1.91 0.00 -0.17 -0.61 1.10 -1.26 -4.89 121.20 113.46 3gtl s ILE 992 Ca 0.00 -1.68 -0.05 0.00 -0.51 0.00 0.00 60.65 58.41 3gtl s ILE 992 Cb 0.00 -2.38 0.07 0.00 0.15 0.00 0.00 42.46 40.29 3gtl s ILE 992 CO 0.00 0.00 0.11 0.42 -2.11 0.00 0.00 174.94 173.36 3gtl s THR 993 N -3.94 -0.13 -0.28 4.00 -4.23 -1.26 -0.56 115.64 109.23 3gtl s THR 993 Ca 0.30 -0.14 -0.10 0.00 -1.18 0.00 0.00 61.69 60.57 3gtl s THR 993 Cb 0.02 -0.58 -0.04 0.00 1.34 0.00 0.00 72.50 73.24 3gtl s THR 993 CO 0.12 -0.26 0.16 -0.31 -0.54 0.00 0.00 174.62 173.80 3gtl s TYR 994 N 2.18 3.19 0.75 3.99 4.12 -0.56 -4.46 117.35 126.55 3gtl s TYR 994 Ca 0.03 -0.09 -0.15 0.00 0.02 0.00 0.00 57.07 56.88 3gtl s TYR 994 Cb -0.16 -2.36 0.03 0.00 -1.52 0.00 0.00 41.96 37.95 3gtl s TYR 994 CO -0.09 -0.25 1.04 0.54 0.02 0.00 0.00 175.55 176.81 3gtl n ARG 995 N 5.03 0.44 -0.38 -0.62 1.74 -1.26 -0.73 116.66 120.88 3gtl n ARG 995 Ca -0.14 0.21 0.37 0.00 -0.77 0.00 0.00 57.85 57.52 3gtl n ARG 995 Cb 0.51 -2.29 0.74 0.00 -1.02 0.00 0.00 32.46 30.40 3gtl n ARG 995 CO 0.00 0.00 0.00 -0.09 -1.52 0.00 0.00 177.63 176.02 3gtl h ARG 996 N -0.41 0.03 0.00 5.56 2.43 -1.94 -3.14 114.38 116.91 3gtl h ARG 996 Ca -0.47 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 3gtl h ARG 996 Cb 1.32 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 3gtl h ARG 996 CO 0.47 0.02 0.00 0.39 -1.51 0.00 0.00 179.97 179.34 3gtl n GLU 997 N -4.20 0.00 0.01 0.20 4.71 -1.26 -3.89 120.64 116.21 3gtl n GLU 997 Ca 0.28 0.39 0.03 0.00 -0.01 0.00 0.00 57.16 57.85 3gtl n GLU 997 Cb 1.33 -1.36 0.12 0.00 -1.01 0.00 0.00 31.44 30.51 3gtl n GLU 997 CO 0.00 0.00 0.00 -0.40 0.09 0.00 0.00 177.13 176.82 3gtl n ASP 998 N -1.68 0.04 -4.71 1.62 3.85 -1.19 -4.59 116.55 109.89 3gtl n ASP 998 Ca 0.00 0.52 -0.34 0.00 -0.71 0.00 0.00 54.79 54.26 3gtl n ASP 998 Cb 0.00 -0.52 0.11 0.00 -1.35 0.00 0.00 41.12 39.36 3gtl n ASP 998 CO 0.00 0.00 0.00 -0.32 -1.01 0.00 0.00 177.20 175.87 3gtl s MET 999 N -3.03 1.88 0.17 0.11 1.75 -1.22 -3.70 119.30 115.26 3gtl s MET 999 Ca 0.02 1.79 -0.03 0.00 -1.25 0.00 0.00 55.69 56.22 3gtl s MET 999 Cb 0.03 -1.80 0.04 0.00 2.84 0.00 0.00 34.83 35.94 3gtl s MET 999 CO 0.09 -2.04 0.16 -0.35 -0.65 0.00 0.00 175.02 172.23 3gtl n PRO 1000N -2.98 -1.14 0.00 4.11 -0.04 -1.26 -3.26 135.00 130.43 3gtl n PRO 1000Ca 0.14 -0.25 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 3gtl n PRO 1000Cb 0.50 -0.23 0.00 0.00 -0.04 0.00 0.00 33.50 33.74 3gtl n PRO 1000CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 3gtl n PHE 1001N -2.75 0.00 -2.79 0.54 1.16 -1.03 -4.58 117.46 108.02 3gtl n PHE 1001Ca 0.02 0.00 -0.21 0.00 -1.87 0.00 0.00 57.45 55.40 3gtl n PHE 1001Cb 0.08 0.00 0.06 0.00 -1.61 0.00 0.00 39.48 38.01 3gtl n PHE 1001CO 0.00 0.00 0.00 -0.08 -1.87 0.00 0.00 176.76 174.81 3gtl s THR 1002N -1.44 2.46 0.28 1.97 -1.32 -1.25 0.20 115.64 116.55 3gtl s THR 1002Ca 0.00 -0.79 0.17 0.00 -1.21 0.00 0.00 61.69 59.87 3gtl s THR 1002Cb 0.00 -2.67 0.13 0.00 -1.51 0.00 0.00 72.50 68.45 3gtl s THR 1002CO 0.00 0.00 1.80 0.00 -2.21 0.00 0.00 174.62 174.21 3gtl h ALA 1003N 0.03 1.16 -0.11 11.08 0.00 -1.95 -2.12 119.26 127.35 3gtl h ALA 1003Ca -0.37 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.18 3gtl h ALA 1003Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3gtl h ALA 1003CO 0.45 0.45 -0.06 1.49 0.00 0.00 0.00 179.25 181.58 3gtl h GLU 1004N 0.00 0.16 0.00 0.00 4.81 -1.95 -3.46 114.58 114.14 3gtl h GLU 1004Ca -0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gtl h GLU 1004Cb 0.76 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.11 3gtl h GLU 1004CO 0.05 0.23 0.00 0.41 -0.73 0.00 0.00 179.01 178.97 3gtl n GLY 1005N -1.15 1.27 3.37 1.92 0.00 -0.80 -5.12 105.19 104.68 3gtl n GLY 1005Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3gtl n GLY 1005CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gtl n ILE 1006N -0.04 0.00 -2.83 -0.61 2.08 -1.25 -4.81 119.36 111.91 3gtl n ILE 1006Ca 0.00 -0.36 -0.07 0.00 0.56 0.00 0.00 62.75 62.87 3gtl n ILE 1006Cb 0.00 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 37.95 3gtl n ILE 1006CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3gtl n VAL 1007N -5.17 -0.13 -0.38 1.39 0.31 -1.26 -3.79 118.33 109.30 3gtl n VAL 1007Ca 0.04 -1.38 -0.12 0.00 -0.01 0.00 0.00 64.34 62.88 3gtl n VAL 1007Cb 0.56 0.78 0.00 0.00 -0.91 0.00 0.00 33.84 34.27 3gtl n VAL 1007CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 3gtl n PRO 1008N 2.67 0.00 -0.04 5.55 -0.04 -1.26 -4.90 135.00 136.98 3gtl n PRO 1008Ca 0.18 0.00 -0.18 0.00 -0.04 0.00 0.00 63.50 63.45 3gtl n PRO 1008Cb 0.56 -0.30 -0.13 0.00 -0.04 0.00 0.00 33.50 33.59 3gtl n PRO 1008CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3gtl h ASP 1009N 0.05 0.17 -5.05 3.54 3.32 0.35 -3.43 116.42 115.36 3gtl h ASP 1009Ca -0.12 -0.86 -0.15 0.00 0.02 0.00 0.00 57.03 55.93 3gtl h ASP 1009Cb 0.43 -0.05 -0.19 0.00 0.22 0.00 0.00 39.33 39.74 3gtl h ASP 1009CO 0.13 1.31 -0.65 -1.48 -1.72 0.00 0.00 179.24 176.83 3gtl s LEU 1010N -7.94 2.16 -0.05 1.55 2.34 -0.18 -0.97 118.68 115.58 3gtl s LEU 1010Ca -0.20 -0.59 0.01 0.00 0.06 0.00 0.00 54.13 53.41 3gtl s LEU 1010Cb 0.01 0.25 -0.03 0.00 -0.56 0.00 0.00 46.19 45.87 3gtl s LEU 1010CO 0.71 -0.40 -0.07 -0.63 -1.06 0.00 0.00 176.35 174.90 3gtl s ILE 1011N -2.17 3.67 0.00 1.48 1.01 0.82 -0.27 121.20 125.75 3gtl s ILE 1011Ca -0.09 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.01 3gtl s ILE 1011Cb -0.04 -2.52 0.00 0.00 0.01 0.00 0.00 42.46 39.91 3gtl s ILE 1011CO -0.03 0.56 0.00 2.30 0.00 0.00 0.00 174.94 177.77 3gtl n ILE 1012N 2.10 0.00 -4.23 2.92 -5.35 0.22 -1.84 119.36 113.18 3gtl n ILE 1012Ca -0.17 0.00 -0.17 0.00 -0.27 0.00 0.00 62.75 62.14 3gtl n ILE 1012Cb 0.53 -0.08 -0.14 0.00 -1.74 0.00 0.00 39.64 38.21 3gtl n ILE 1012CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3gtl s ASN 1013N -0.07 0.91 0.56 7.28 3.84 -1.26 -3.41 114.94 122.79 3gtl s ASN 1013Ca 0.00 -0.24 0.29 0.00 0.21 0.00 0.00 52.86 53.12 3gtl s ASN 1013Cb 0.00 -0.07 1.47 0.00 -0.55 0.00 0.00 41.25 42.10 3gtl s ASN 1013CO 0.00 0.03 1.92 1.55 -2.79 0.00 0.00 177.10 177.81 3gtl h PRO 1014N 5.59 0.00 -0.80 0.43 0.13 -1.85 -1.15 132.00 134.35 3gtl h PRO 1014Ca -0.31 0.00 0.18 0.00 -0.87 0.00 0.00 66.00 65.00 3gtl h PRO 1014Cb 1.19 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.20 3gtl h PRO 1014CO 0.48 0.00 0.25 0.45 -0.23 0.00 0.00 178.00 178.94 3gtl h HIS 1015N 0.00 0.40 0.00 1.56 3.86 -1.92 0.25 115.15 119.30 3gtl h HIS 1015Ca 0.28 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.53 3gtl h HIS 1015Cb 1.27 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3gtl h HIS 1015CO 0.00 -0.08 0.00 0.00 0.86 0.00 0.00 177.93 178.71 3gtl n ALA 1016N -2.62 1.54 -0.13 2.45 0.00 -0.43 -3.57 120.51 117.75 3gtl n ALA 1016Ca 0.17 -0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.34 3gtl n ALA 1016Cb 0.53 -1.01 -0.09 0.00 0.00 0.00 0.00 19.45 18.88 3gtl n ALA 1016CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3gtl n ILE 1017N -0.71 1.38 0.08 0.00 2.08 0.88 -4.68 119.36 118.39 3gtl n ILE 1017Ca 0.00 -0.37 -0.19 0.00 0.56 0.00 0.00 62.75 62.76 3gtl n ILE 1017Cb 0.00 -1.81 -0.15 0.00 -0.75 0.00 0.00 39.64 36.94 3gtl n ILE 1017CO 0.00 0.00 0.00 1.55 0.56 0.00 0.00 176.55 178.66 3gtl h PRO 1018N -0.84 0.32 0.00 0.38 0.14 -1.71 -2.62 132.00 127.67 3gtl h PRO 1018Ca -0.63 -0.55 0.00 0.00 0.14 0.00 0.00 66.00 64.96 3gtl h PRO 1018Cb 1.58 0.20 0.00 0.00 0.14 0.00 0.00 31.00 32.92 3gtl h PRO 1018CO -0.37 1.21 0.00 -1.13 0.14 0.00 0.00 178.00 177.86 3gtl n SER 1019N -3.53 0.71 -0.02 1.44 3.41 -1.26 -3.17 113.62 111.20 3gtl n SER 1019Ca -0.16 0.65 0.02 0.00 -0.26 0.00 0.00 58.87 59.11 3gtl n SER 1019Cb 1.05 -0.81 -0.02 0.00 -0.26 0.00 0.00 64.21 64.18 3gtl n SER 1019CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtl n ARG 1020N -2.25 5.19 -1.83 4.33 1.74 -1.25 -5.02 116.66 117.57 3gtl n ARG 1020Ca 0.03 -0.08 -0.11 0.00 -0.77 0.00 0.00 57.85 56.92 3gtl n ARG 1020Cb 0.28 -0.70 -0.03 0.00 -1.02 0.00 0.00 32.46 30.98 3gtl n ARG 1020CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 3gtl n MET 1021N -0.94 -1.72 -2.73 5.56 2.81 -0.99 -4.88 117.12 114.24 3gtl n MET 1021Ca 0.01 0.61 -0.43 0.00 -1.81 0.00 0.00 57.70 56.08 3gtl n MET 1021Cb 0.06 -4.99 -0.03 0.00 -0.71 0.00 0.00 33.22 27.54 3gtl n MET 1021CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 3gtl s THR 1022N -2.23 4.32 -0.18 2.03 -1.32 -1.25 -4.65 115.64 112.35 3gtl s THR 1022Ca 0.00 0.83 0.13 0.00 -1.21 0.00 0.00 61.69 61.44 3gtl s THR 1022Cb 0.00 -4.54 -0.23 0.00 -1.51 0.00 0.00 72.50 66.22 3gtl s THR 1022CO 0.00 -1.00 0.12 0.52 -2.21 0.00 0.00 174.62 172.06 3gtl n VAL 1023N 6.55 1.46 -0.23 5.08 0.31 -1.26 -3.73 118.33 126.52 3gtl n VAL 1023Ca 0.07 -0.79 0.32 0.00 -0.01 0.00 0.00 64.34 63.94 3gtl n VAL 1023Cb 0.49 -0.79 0.67 0.00 -0.91 0.00 0.00 33.84 33.29 3gtl n VAL 1023CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3gtl h ALA 1024N 0.77 2.91 0.69 3.52 0.00 -1.84 -1.51 119.26 123.80 3gtl h ALA 1024Ca -0.51 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.33 3gtl h ALA 1024Cb 2.14 0.08 0.01 0.00 0.00 0.00 0.00 17.79 20.01 3gtl h ALA 1024CO 0.02 -1.46 -0.33 1.25 0.00 0.00 0.00 179.25 178.73 3gtl h HIS 1025N 0.00 -0.86 -0.09 0.00 6.17 -1.89 0.17 115.15 118.65 3gtl h HIS 1025Ca 0.49 -0.02 -0.07 0.00 0.71 0.00 0.00 60.37 61.48 3gtl h HIS 1025Cb 2.34 0.28 -0.01 0.00 2.52 0.00 0.00 27.41 32.54 3gtl h HIS 1025CO 0.00 -0.50 -0.28 -0.07 0.71 0.00 0.00 177.93 177.79 3gtl h LEU 1026N -1.12 0.16 0.15 0.26 4.07 -1.67 -2.94 115.31 114.22 3gtl h LEU 1026Ca -0.09 -0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 3gtl h LEU 1026Cb 0.74 -0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.44 3gtl h LEU 1026CO 0.16 0.45 -0.07 0.40 -1.08 0.00 0.00 178.44 178.29 3gtl h ILE 1027N 0.15 0.92 -0.90 1.22 2.04 -1.14 -0.46 117.51 119.33 3gtl h ILE 1027Ca 0.02 -0.28 0.14 0.00 1.00 0.00 0.00 64.86 65.74 3gtl h ILE 1027Cb 0.58 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 37.67 3gtl h ILE 1027CO 0.04 0.07 0.58 1.05 0.00 0.00 0.00 178.15 179.89 3gtl h GLU 1028N -0.33 0.72 -0.22 2.37 4.11 -0.55 0.42 114.58 121.09 3gtl h GLU 1028Ca -0.02 -0.04 -0.06 0.00 0.07 0.00 0.00 59.36 59.31 3gtl h GLU 1028Cb 0.26 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3gtl h GLU 1028CO 0.03 0.48 -0.08 0.00 0.07 0.00 0.00 179.01 179.51 3gtl h LEU 1030N 0.16 0.48 -0.59 0.00 5.85 0.14 -1.35 115.31 119.99 3gtl h LEU 1030Ca 0.05 -0.20 -0.12 0.00 0.84 0.00 0.00 57.88 58.45 3gtl h LEU 1030Cb 0.56 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.45 3gtl h LEU 1030CO 0.03 0.56 -0.18 0.25 -0.34 0.00 0.00 178.44 178.75 3gtl h LEU 1031N 0.39 0.94 -0.85 2.25 5.85 -0.21 -3.15 115.31 120.52 3gtl h LEU 1031Ca 0.11 -0.33 -0.03 0.00 0.84 0.00 0.00 57.88 58.46 3gtl h LEU 1031Cb 0.24 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 40.98 3gtl h LEU 1031CO -0.00 1.10 0.41 0.28 -0.34 0.00 0.00 178.44 179.88 3gtl h SER 1032N 0.81 1.11 -0.84 1.25 0.02 0.06 -2.40 113.55 113.57 3gtl h SER 1032Ca 0.12 -0.14 0.21 0.00 -0.84 0.00 0.00 61.79 61.14 3gtl h SER 1032Cb 0.73 -0.29 -0.14 0.00 0.14 0.00 0.00 62.40 62.84 3gtl h SER 1032CO 0.06 0.94 0.12 0.50 -1.14 0.00 0.00 176.83 177.30 3gtl h LYS 1033N 1.21 0.14 -0.20 3.45 3.64 -1.20 -0.27 116.57 123.33 3gtl h LYS 1033Ca 0.29 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.60 3gtl h LYS 1033Cb 0.12 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 3gtl h LYS 1033CO -0.04 0.09 -0.12 0.28 -2.27 0.00 0.00 179.45 177.40 3gtl h VAL 1034N 0.15 1.31 -0.47 2.00 2.07 -1.51 -1.59 116.25 118.20 3gtl h VAL 1034Ca 0.50 -1.20 0.05 0.00 0.82 0.00 0.00 66.70 66.86 3gtl h VAL 1034Cb 0.96 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.33 3gtl h VAL 1034CO -0.69 0.36 -0.39 0.00 0.02 0.00 0.00 177.57 176.88 3gtl h ALA 1035N 0.69 -0.51 -1.12 1.67 0.00 -0.95 -0.09 119.26 118.95 3gtl h ALA 1035Ca 0.04 0.04 0.31 0.00 0.00 0.00 0.00 54.91 55.30 3gtl h ALA 1035Cb 0.62 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.44 3gtl h ALA 1035CO 0.03 -0.74 0.74 0.00 0.00 0.00 0.00 179.25 179.29 3gtl h ALA 1036N -0.22 2.55 -2.96 0.00 0.00 -0.67 0.88 119.26 118.84 3gtl h ALA 1036Ca 0.08 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gtl h ALA 1036Cb 0.34 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3gtl h ALA 1036CO -0.52 -0.96 0.00 1.28 0.00 0.00 0.00 179.25 179.05 3gtl n LEU 1037N -4.50 2.86 0.23 0.00 4.77 -0.64 -4.18 117.00 115.54 3gtl n LEU 1037Ca 0.27 0.01 0.11 0.00 -0.03 0.00 0.00 56.01 56.36 3gtl n LEU 1037Cb 1.05 -0.01 0.57 0.00 -2.33 0.00 0.00 43.42 42.71 3gtl n LEU 1037CO 0.29 -0.01 0.94 0.77 -1.33 0.00 0.00 177.39 178.05 3gtl h SER 1038N 0.00 0.00 0.00 -1.43 4.64 -1.08 -3.44 113.55 112.24 3gtl h SER 1038Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gtl h SER 1038Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3gtl h SER 1038CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gtl n GLY 1039N -1.25 0.58 0.00 -0.77 0.00 0.28 -5.05 105.19 98.97 3gtl n GLY 1039Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 3gtl n GLY 1039CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gtl n ASN 1040N 0.38 0.00 -4.71 1.61 3.02 -1.07 -4.96 115.26 109.53 3gtl n ASN 1040Ca 0.00 -0.63 -0.35 0.00 -0.03 0.00 0.00 54.58 53.56 3gtl n ASN 1040Cb 0.00 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.08 3gtl n ASN 1040CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3gtl s GLU 1041N -0.61 3.26 -0.24 3.52 2.12 -1.26 -4.69 118.70 120.80 3gtl s GLU 1041Ca 0.00 -0.34 -0.29 0.00 0.36 0.00 0.00 54.97 54.70 3gtl s GLU 1041Cb 0.00 -2.95 -0.02 0.00 0.26 0.00 0.00 34.13 31.42 3gtl s GLU 1041CO 0.00 0.63 1.57 0.20 -0.54 0.00 0.00 175.26 177.12 3gtl s GLY 1042N -0.67 1.23 -1.28 -1.50 0.00 -0.91 -4.95 107.32 99.24 3gtl s GLY 1042Ca 0.11 0.40 -0.08 0.00 0.00 0.00 0.00 44.72 45.15 3gtl s GLY 1042CO 0.02 2.94 2.01 1.34 0.00 0.00 0.00 173.10 179.42 3gtl n ASP 1043N 8.36 6.02 0.24 1.64 2.03 -1.26 -0.41 116.55 133.18 3gtl n ASP 1043Ca 0.18 -3.13 0.13 0.00 0.52 0.00 0.00 54.79 52.49 3gtl n ASP 1043Cb 0.45 -1.43 0.52 0.00 -0.72 0.00 0.00 41.12 39.94 3gtl n ASP 1043CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3gtl h ALA 1044N 5.38 1.00 -0.74 -1.67 0.00 -1.31 -3.46 119.26 118.46 3gtl h ALA 1044Ca 0.48 -0.10 -0.61 0.00 0.00 0.00 0.00 54.91 54.68 3gtl h ALA 1044Cb 0.53 -0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.33 3gtl h ALA 1044CO 1.57 0.14 0.22 0.43 0.00 0.00 0.00 179.25 181.60 3gtl n SER 1045N -3.22 0.33 0.00 0.00 7.64 -1.16 -2.61 113.62 114.58 3gtl n SER 1045Ca 0.01 0.87 0.00 0.00 1.01 0.00 0.00 58.87 60.76 3gtl n SER 1045Cb 0.39 -0.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.92 3gtl n SER 1045CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3gtl n PRO 1046N 1.80 0.00 -1.55 1.43 -0.02 -1.26 -4.43 135.00 130.97 3gtl n PRO 1046Ca 0.18 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.42 3gtl n PRO 1046Cb 0.02 0.00 -0.07 0.00 -0.02 0.00 0.00 33.50 33.43 3gtl n PRO 1046CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3gtl n PHE 1047N 0.00 1.13 -4.00 6.00 3.01 -1.26 -4.83 117.46 117.51 3gtl n PHE 1047Ca 0.00 0.06 -0.09 0.00 1.01 0.00 0.00 57.45 58.42 3gtl n PHE 1047Cb 0.00 -2.45 -0.08 0.00 -0.01 0.00 0.00 39.48 36.94 3gtl n PHE 1047CO 0.00 0.00 0.00 0.95 1.01 0.00 0.00 176.76 178.72 3gtl s THR 1048N 12.40 0.09 -1.17 4.37 -4.23 -1.26 -5.01 115.64 120.84 3gtl s THR 1048Ca 1.01 -1.52 -0.08 0.00 -1.18 0.00 0.00 61.69 59.92 3gtl s THR 1048Cb -0.27 -1.81 0.24 0.00 1.34 0.00 0.00 72.50 72.00 3gtl s THR 1048CO 0.21 -0.42 1.52 0.47 -0.54 0.00 0.00 174.62 175.85 3gtl n ASP 1049N -0.15 5.66 -4.29 3.99 8.00 -1.26 -4.92 116.55 123.58 3gtl n ASP 1049Ca -0.08 -3.18 -0.28 0.00 0.71 0.00 0.00 54.79 51.96 3gtl n ASP 1049Cb 0.63 -1.40 -0.15 0.00 -0.02 0.00 0.00 41.12 40.18 3gtl n ASP 1049CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gtl s ILE 1050N -0.84 1.87 0.15 0.53 1.01 -1.26 -5.11 121.20 117.54 3gtl s ILE 1050Ca 0.35 -1.25 -0.06 0.00 0.00 0.00 0.00 60.65 59.69 3gtl s ILE 1050Cb 0.02 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.87 3gtl s ILE 1050CO 0.02 0.31 0.20 0.42 0.00 0.00 0.00 174.94 175.89 3gtl s THR 1051N -0.77 0.09 0.29 2.92 -4.23 -1.26 -5.01 115.64 107.66 3gtl s THR 1051Ca 0.09 -1.55 0.13 0.00 -1.18 0.00 0.00 61.69 59.18 3gtl s THR 1051Cb -0.09 -1.86 0.04 0.00 1.34 0.00 0.00 72.50 71.93 3gtl s THR 1051CO 0.02 -0.39 1.71 0.58 -0.54 0.00 0.00 174.62 175.99 3gtl h VAL 1052N 2.67 1.28 0.70 2.29 2.07 -1.99 0.12 116.25 123.40 3gtl h VAL 1052Ca -0.33 -1.74 -0.03 0.00 0.82 0.00 0.00 66.70 65.42 3gtl h VAL 1052Cb 1.21 1.96 -0.01 0.00 -1.52 0.00 0.00 31.29 32.93 3gtl h VAL 1052CO 0.53 0.49 -0.49 -0.33 0.02 0.00 0.00 177.57 177.79 3gtl h GLU 1053N 0.00 -1.09 -0.81 1.57 4.39 -1.96 -1.11 114.58 115.57 3gtl h GLU 1053Ca -0.00 0.07 0.08 0.00 0.34 0.00 0.00 59.36 59.85 3gtl h GLU 1053Cb 0.92 0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 29.76 3gtl h GLU 1053CO 0.06 -0.73 0.53 0.78 -1.16 0.00 0.00 179.01 178.50 3gtl h GLY 1054N -1.13 1.12 0.64 -3.84 0.00 -1.85 -1.04 103.07 96.96 3gtl h GLY 1054Ca -0.09 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 3gtl h GLY 1054CO 0.06 0.23 -0.03 -2.22 0.00 0.00 0.00 176.54 174.57 3gtl h ILE 1055N 0.83 1.16 -0.65 2.60 1.08 -1.01 -3.24 117.51 118.30 3gtl h ILE 1055Ca 0.36 -0.81 0.06 0.00 -0.39 0.00 0.00 64.86 64.08 3gtl h ILE 1055Cb 0.32 1.69 -0.05 0.00 -3.07 0.00 0.00 36.82 35.71 3gtl h ILE 1055CO -0.14 0.20 0.35 0.28 -0.69 0.00 0.00 178.15 178.16 3gtl h SER 1056N -0.45 0.51 0.18 1.72 0.02 -0.07 0.26 113.55 115.72 3gtl h SER 1056Ca -0.01 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 60.97 3gtl h SER 1056Cb 0.40 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 62.87 3gtl h SER 1056CO 0.01 0.33 -0.04 0.11 -1.14 0.00 0.00 176.83 176.11 3gtl h LYS 1057N 0.65 0.00 0.09 3.45 1.57 -1.36 0.12 116.57 121.08 3gtl h LYS 1057Ca 0.29 0.00 -0.26 0.00 -1.87 0.00 0.00 60.65 58.81 3gtl h LYS 1057Cb 0.20 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.51 3gtl h LYS 1057CO -0.19 0.04 -1.14 -0.07 -0.57 0.00 0.00 179.45 177.52 3gtl h LEU 1058N 0.00 0.55 -0.64 2.94 3.38 -0.55 -3.10 115.31 117.90 3gtl h LEU 1058Ca -0.00 -0.52 -0.13 0.00 0.09 0.00 0.00 57.88 57.32 3gtl h LEU 1058Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gtl h LEU 1058CO 0.00 1.36 -0.64 0.25 0.09 0.00 0.00 178.44 179.51 3gtl h LEU 1059N 0.17 0.00 0.00 1.67 5.85 -0.72 -2.91 115.31 119.37 3gtl h LEU 1059Ca -0.13 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.59 3gtl h LEU 1059Cb 1.82 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.85 3gtl h LEU 1059CO 0.20 0.64 0.00 -1.14 -0.34 0.00 0.00 178.44 177.79 3gtl n ARG 1060N -3.67 0.00 -0.64 1.25 3.00 0.36 -2.06 116.66 114.91 3gtl n ARG 1060Ca -0.01 0.46 0.49 0.00 -0.00 0.00 0.00 57.85 58.79 3gtl n ARG 1060Cb 0.65 -1.22 0.79 0.00 0.00 0.00 0.00 32.46 32.68 3gtl n ARG 1060CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.63 178.56 3gtl h GLU 1061N 0.00 0.01 -0.41 -0.14 5.08 -1.65 -2.71 114.58 114.74 3gtl h GLU 1061Ca 0.00 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3gtl h GLU 1061Cb 0.00 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3gtl h GLU 1061CO 0.00 0.00 0.00 0.72 -1.00 0.00 0.00 179.01 178.73 3gtl n HIS 1062N -4.15 0.55 0.00 4.33 8.25 -0.88 -4.90 115.22 118.43 3gtl n HIS 1062Ca 0.43 -0.26 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 3gtl n HIS 1062Cb 1.88 -0.03 0.00 0.00 1.12 0.00 0.00 29.99 32.96 3gtl n HIS 1062CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gtl n GLY 1063N 1.02 3.07 3.97 -1.41 0.00 -1.02 -5.01 105.19 105.80 3gtl n GLY 1063Ca 0.13 -1.12 -0.22 0.00 0.00 0.00 0.00 46.02 44.81 3gtl n GLY 1063CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gtl s TYR 1064N -0.11 1.81 0.06 1.61 1.51 -0.95 -5.01 117.35 116.27 3gtl s TYR 1064Ca 0.00 -0.70 -0.29 0.00 -1.01 0.00 0.00 57.07 55.07 3gtl s TYR 1064Cb 0.00 -2.12 -0.05 0.00 -0.11 0.00 0.00 41.96 39.68 3gtl s TYR 1064CO 0.00 -0.70 0.94 1.14 -1.11 0.00 0.00 175.55 175.82 3gtl s GLN 1065N -4.43 4.62 0.20 -0.62 1.03 -1.26 -3.67 119.66 115.53 3gtl s GLN 1065Ca 0.50 1.39 0.07 0.00 0.04 0.00 0.00 55.36 57.36 3gtl s GLN 1065Cb -0.05 -3.41 0.39 0.00 0.03 0.00 0.00 33.01 29.98 3gtl s GLN 1065CO 0.31 0.12 1.06 -1.13 -2.54 0.00 0.00 175.29 173.10 3gtl n SER 1066N 3.24 0.19 -0.15 12.60 3.41 -1.26 -2.82 113.62 128.83 3gtl n SER 1066Ca 0.03 0.42 0.10 0.00 -0.26 0.00 0.00 58.87 59.16 3gtl n SER 1066Cb 0.50 -0.38 0.15 0.00 -0.26 0.00 0.00 64.21 64.22 3gtl n SER 1066CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtl n ARG 1067N -1.73 1.46 -0.50 4.33 5.12 -1.26 -4.15 116.66 119.93 3gtl n ARG 1067Ca -0.00 -2.59 0.00 0.00 -1.93 0.00 0.00 57.85 53.33 3gtl n ARG 1067Cb 0.31 -1.52 0.00 0.00 -1.16 0.00 0.00 32.46 30.09 3gtl n ARG 1067CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gtl n GLY 1068N -1.33 0.75 3.80 -0.13 0.00 -1.13 -4.99 105.19 102.16 3gtl n GLY 1068Ca 0.16 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 3gtl n GLY 1068CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gtl s PHE 1069N -2.49 3.77 -0.04 1.61 0.40 -1.26 -2.77 117.98 117.19 3gtl s PHE 1069Ca 0.00 1.20 -0.01 0.00 -0.60 0.00 0.00 56.93 57.52 3gtl s PHE 1069Cb 0.00 -2.48 0.03 0.00 0.51 0.00 0.00 43.02 41.08 3gtl s PHE 1069CO 0.00 0.55 0.02 -1.21 0.70 0.00 0.00 175.22 175.28 3gtl s GLU 1070N -0.90 0.28 -0.61 0.44 2.02 -0.29 -4.53 118.70 115.11 3gtl s GLU 1070Ca 0.28 0.17 -0.28 0.00 0.02 0.00 0.00 54.97 55.16 3gtl s GLU 1070Cb -0.19 -0.64 -0.12 0.00 0.10 0.00 0.00 34.13 33.29 3gtl s GLU 1070CO 0.17 -0.24 2.47 0.28 0.02 0.00 0.00 175.26 177.96 3gtl n VAL 1071N 4.77 -0.02 -3.74 2.63 0.31 -1.26 -3.26 118.33 117.77 3gtl n VAL 1071Ca -0.14 -0.51 -0.20 0.00 -0.01 0.00 0.00 64.34 63.48 3gtl n VAL 1071Cb 0.50 -2.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.39 3gtl n VAL 1071CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 3gtl s MET 1072N 8.22 3.05 -0.05 5.55 -1.94 -1.26 -3.90 119.30 128.97 3gtl s MET 1072Ca 1.10 -1.05 0.06 0.00 -1.71 0.00 0.00 55.69 54.09 3gtl s MET 1072Cb -0.56 -2.71 -0.01 0.00 2.01 0.00 0.00 34.83 33.56 3gtl s MET 1072CO 0.35 0.18 -0.23 0.71 -0.01 0.00 0.00 175.02 176.03 3gtl s TYR 1073N -2.17 2.20 0.80 -0.03 1.51 0.13 -1.77 117.35 118.02 3gtl s TYR 1073Ca 0.40 -0.63 -0.13 0.00 -1.01 0.00 0.00 57.07 55.70 3gtl s TYR 1073Cb -0.08 -1.45 0.08 0.00 -0.11 0.00 0.00 41.96 40.40 3gtl s TYR 1073CO 0.29 -0.18 1.19 1.21 -1.11 0.00 0.00 175.55 176.94 3gtl s ASN 1074N -0.15 3.71 -0.15 2.29 3.84 -0.94 -2.45 114.94 121.08 3gtl s ASN 1074Ca -0.02 2.31 -0.21 0.00 0.21 0.00 0.00 52.86 55.15 3gtl s ASN 1074Cb -0.13 -2.58 -0.18 0.00 -0.55 0.00 0.00 41.25 37.81 3gtl s ASN 1074CO 0.03 -2.59 0.42 1.23 -2.79 0.00 0.00 177.10 173.41 3gtl h GLY 1075N -0.88 0.00 0.19 1.21 0.00 -1.63 -2.49 103.07 99.48 3gtl h GLY 1075Ca -0.46 0.00 0.19 0.00 0.00 0.00 0.00 47.33 47.06 3gtl h GLY 1075CO 0.47 0.00 0.61 0.45 0.00 0.00 0.00 176.54 178.07 3gtl h HIS 1076N -1.00 0.95 0.00 5.60 3.86 -1.83 -3.35 115.15 119.38 3gtl h HIS 1076Ca -0.10 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.07 3gtl h HIS 1076Cb 0.89 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.06 3gtl h HIS 1076CO 0.15 0.23 -1.24 -2.37 0.86 0.00 0.00 177.93 175.56 3gtl n THR 1077N -4.69 0.24 -0.32 2.45 5.66 -1.26 -5.02 114.28 111.33 3gtl n THR 1077Ca 0.22 -0.06 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 3gtl n THR 1077Cb 0.59 -1.51 0.00 0.00 -1.55 0.00 0.00 70.33 67.86 3gtl n THR 1077CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gtl n GLY 1078N 2.76 0.81 3.72 1.09 0.00 -0.94 -5.05 105.19 107.58 3gtl n GLY 1078Ca -0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3gtl n GLY 1078CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gtl s LYS 1079N -0.68 4.40 0.44 1.61 2.20 -1.26 -4.74 119.74 121.71 3gtl s LYS 1079Ca 0.00 1.90 -0.21 0.00 -0.36 0.00 0.00 55.97 57.30 3gtl s LYS 1079Cb 0.00 -3.29 -0.13 0.00 -1.51 0.00 0.00 37.83 32.90 3gtl s LYS 1079CO 0.00 -0.28 0.34 1.17 -0.36 0.00 0.00 175.35 176.22 3gtl n LYS 1080N 3.61 0.33 -3.08 4.03 4.81 -1.26 -2.22 118.16 124.38 3gtl n LYS 1080Ca 0.09 0.12 -0.40 0.00 -0.87 0.00 0.00 58.31 57.25 3gtl n LYS 1080Cb 0.45 -1.33 -0.05 0.00 0.02 0.00 0.00 35.03 34.12 3gtl n LYS 1080CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3gtl s LEU 1081N 2.72 4.24 0.50 3.14 1.43 -0.73 -4.78 118.68 125.21 3gtl s LEU 1081Ca 0.62 1.04 0.24 0.00 -1.03 0.00 0.00 54.13 55.00 3gtl s LEU 1081Cb -0.59 -3.00 1.31 0.00 0.03 0.00 0.00 46.19 43.94 3gtl s LEU 1081CO 0.60 -0.19 1.93 -0.03 0.23 0.00 0.00 176.35 178.89 3gtl h MET 1082N 7.05 0.14 -6.07 1.70 4.05 -1.91 -3.40 114.93 116.48 3gtl h MET 1082Ca -0.36 -0.01 -0.54 0.00 -0.28 0.00 0.00 59.70 58.51 3gtl h MET 1082Cb 1.17 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 31.90 3gtl h MET 1082CO 0.77 0.09 -0.34 0.00 0.23 0.00 0.00 176.91 177.66 3gtl s ALA 1083N -5.14 4.22 0.00 0.39 0.00 -1.26 -5.15 121.76 114.81 3gtl s ALA 1083Ca -0.06 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.24 3gtl s ALA 1083Cb 0.21 -0.86 0.00 0.00 0.00 0.00 0.00 23.12 22.47 3gtl s ALA 1083CO 0.76 -0.36 0.00 1.04 0.00 0.00 0.00 175.76 177.20 3gtl n GLN 1084N -1.66 2.44 -3.64 0.00 3.00 -1.26 -4.56 117.38 111.70 3gtl n GLN 1084Ca 0.02 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.92 3gtl n GLN 1084Cb 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.80 3gtl n GLN 1084CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.06 177.48 3gtl s ILE 1085N 1.08 0.00 0.28 5.09 1.01 -1.20 -4.92 121.20 122.54 3gtl s ILE 1085Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 60.65 60.36 3gtl s ILE 1085Cb 0.00 -1.00 -0.10 0.00 0.01 0.00 0.00 42.46 41.37 3gtl s ILE 1085CO 0.00 0.00 1.32 0.12 0.00 0.00 0.00 174.94 176.38 3gtl s PHE 1086N 1.00 3.12 -0.30 3.97 5.36 -1.26 -1.13 117.98 128.73 3gtl s PHE 1086Ca -0.05 1.31 -0.14 0.00 -0.96 0.00 0.00 56.93 57.09 3gtl s PHE 1086Cb -0.05 -3.67 0.17 0.00 -0.34 0.00 0.00 43.02 39.14 3gtl s PHE 1086CO -0.11 -1.95 1.01 0.12 -1.46 0.00 0.00 175.22 172.83 3gtl s PHE 1087N -0.63 -0.63 0.28 10.12 5.36 -1.12 -2.46 117.98 128.91 3gtl s PHE 1087Ca 0.53 0.90 -0.18 0.00 -0.96 0.00 0.00 56.93 57.22 3gtl s PHE 1087Cb -0.39 0.31 0.02 0.00 -0.34 0.00 0.00 43.02 42.61 3gtl s PHE 1087CO 0.47 -0.33 0.65 0.20 -1.46 0.00 0.00 175.22 174.76 3gtl s GLY 1088N 2.62 0.14 -0.29 13.12 0.00 -0.95 -4.84 107.32 117.11 3gtl s GLY 1088Ca -0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 44.72 43.91 3gtl s GLY 1088CO -0.15 -0.27 1.45 2.56 0.00 0.00 0.00 173.10 176.69 3gtl s PRO 1089N -3.83 3.80 -0.14 2.90 0.04 -1.26 -1.89 135.00 134.61 3gtl s PRO 1089Ca 0.15 1.35 -0.04 0.00 0.04 0.00 0.00 61.00 62.50 3gtl s PRO 1089Cb -0.04 -3.97 0.06 0.00 0.04 0.00 0.00 34.50 30.59 3gtl s PRO 1089CO 0.08 -1.28 0.13 0.99 0.04 0.00 0.00 177.00 176.96 3gtl s THR 1090N 4.93 -0.19 0.80 1.26 2.01 -0.85 -4.37 115.64 119.23 3gtl s THR 1090Ca 0.63 0.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 3gtl s THR 1090Cb -0.19 -0.48 -0.02 0.00 0.01 0.00 0.00 72.50 71.81 3gtl s THR 1090CO 0.27 -0.11 0.41 0.00 -0.69 0.00 0.00 174.62 174.51 3gtl n TYR 1091N 5.30 -1.26 -3.62 4.92 9.36 -1.26 -4.49 117.16 126.10 3gtl n TYR 1091Ca -0.06 0.30 -0.04 0.00 3.32 0.00 0.00 57.90 61.42 3gtl n TYR 1091Cb 0.49 -1.85 -0.06 0.00 -0.63 0.00 0.00 39.34 37.30 3gtl n TYR 1091CO 0.00 0.00 0.00 0.71 0.22 0.00 0.00 176.86 177.79 3gtl s TYR 1092N -2.06 -1.05 0.02 2.98 1.51 -1.08 -4.61 117.35 113.05 3gtl s TYR 1092Ca 0.61 1.98 -0.21 0.00 -1.01 0.00 0.00 57.07 58.45 3gtl s TYR 1092Cb -0.30 0.63 -0.06 0.00 -0.11 0.00 0.00 41.96 42.12 3gtl s TYR 1092CO 0.62 -0.52 0.61 1.14 -1.11 0.00 0.00 175.55 176.29 3gtl s GLN 1093N 2.05 4.31 -0.41 -0.62 -2.07 -0.85 -3.31 119.66 118.76 3gtl s GLN 1093Ca -0.08 0.77 -0.25 0.00 -1.82 0.00 0.00 55.36 53.98 3gtl s GLN 1093Cb -0.07 -3.32 0.02 0.00 -1.09 0.00 0.00 33.01 28.54 3gtl s GLN 1093CO -0.19 0.41 0.89 0.50 -1.32 0.00 0.00 175.29 175.58 3gtl s ARG 1094N -0.36 3.68 0.64 9.60 3.52 -1.26 -3.30 118.95 131.47 3gtl s ARG 1094Ca 0.31 0.33 -0.06 0.00 -0.13 0.00 0.00 55.73 56.18 3gtl s ARG 1094Cb -0.19 -3.86 0.03 0.00 -1.56 0.00 0.00 34.95 29.38 3gtl s ARG 1094CO 0.18 -1.04 0.95 -0.51 -0.81 0.00 0.00 175.30 174.07 3gtl s LEU 1095N 3.49 3.05 0.00 -0.88 1.43 -1.24 -3.31 118.68 121.23 3gtl s LEU 1095Ca 0.36 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.08 3gtl s LEU 1095Cb -0.12 -3.38 0.00 0.00 0.03 0.00 0.00 46.19 42.73 3gtl s LEU 1095CO 0.21 -1.29 0.00 -2.11 0.23 0.00 0.00 176.35 173.39 3gtl n ARG 1096N -2.73 0.00 0.00 1.70 -4.01 -0.33 -4.80 116.66 106.49 3gtl n ARG 1096Ca 0.06 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.87 3gtl n ARG 1096Cb 0.59 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.01 3gtl n ARG 1096CO 0.00 0.00 0.00 0.72 -3.04 0.00 0.00 177.63 175.31 3gtl n HIS 1097N 0.00 0.00 -4.21 2.89 8.25 -1.26 -4.86 115.22 116.03 3gtl n HIS 1097Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 3gtl n HIS 1097Cb 0.00 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.02 3gtl n HIS 1097CO 0.00 0.00 0.00 1.41 0.64 0.00 0.00 176.34 178.39 3gtl s MET 1098N 0.00 3.20 0.02 -0.41 1.75 -1.26 -4.28 119.30 118.32 3gtl s MET 1098Ca 0.00 -0.33 -0.11 0.00 -1.25 0.00 0.00 55.69 53.99 3gtl s MET 1098Cb 0.00 -2.94 -0.06 0.00 2.84 0.00 0.00 34.83 34.68 3gtl s MET 1098CO 0.00 0.68 1.18 0.28 -0.65 0.00 0.00 175.02 176.50 3gtl h VAL 1099N 4.20 0.00 0.00 10.11 2.07 -1.89 -2.94 116.25 127.80 3gtl h VAL 1099Ca -0.50 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3gtl h VAL 1099Cb 1.20 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3gtl h VAL 1099CO 0.57 0.00 0.00 0.47 0.02 0.00 0.00 177.57 178.63 3gtl n ASP 1100N -3.25 0.10 0.00 0.57 8.00 -1.26 -0.82 116.55 119.89 3gtl n ASP 1100Ca -0.04 -0.12 0.00 0.00 0.71 0.00 0.00 54.79 55.34 3gtl n ASP 1100Cb 0.15 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.23 3gtl n ASP 1100CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 3gtl n ASP 1101N 1.04 0.35 -0.01 -2.24 8.00 -1.11 -4.80 116.55 117.78 3gtl n ASP 1101Ca 0.00 -1.17 -0.03 0.00 0.71 0.00 0.00 54.79 54.30 3gtl n ASP 1101Cb 0.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.11 3gtl n ASP 1101CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gtl n LYS 1102N -0.09 0.06 -1.40 -1.24 4.76 -0.00 -4.97 118.16 115.28 3gtl n LYS 1102Ca 0.00 0.03 -0.28 0.00 -2.87 0.00 0.00 58.31 55.19 3gtl n LYS 1102Cb 0.45 -0.60 -0.18 0.00 -1.84 0.00 0.00 35.03 32.85 3gtl n LYS 1102CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 3gtl n ILE 1103N -3.13 0.00 -5.08 -0.18 2.08 -1.23 -4.82 119.36 107.00 3gtl n ILE 1103Ca -0.05 -0.28 -0.29 0.00 0.56 0.00 0.00 62.75 62.69 3gtl n ILE 1103Cb 0.53 -0.19 -0.16 0.00 -0.75 0.00 0.00 39.64 39.07 3gtl n ILE 1103CO 0.00 0.00 0.00 -2.28 0.56 0.00 0.00 176.55 174.83 3gtl s HIS 1104N 3.39 2.06 0.18 1.39 5.65 -1.26 -5.07 115.29 121.62 3gtl s HIS 1104Ca 1.25 -0.52 0.05 0.00 0.25 0.00 0.00 55.06 56.09 3gtl s HIS 1104Cb -0.95 -1.35 -0.05 0.00 -1.18 0.00 0.00 32.58 29.06 3gtl s HIS 1104CO 0.50 -0.13 -0.09 0.00 -0.65 0.00 0.00 174.74 174.37 3gtl s ALA 1105N -0.25 1.65 0.04 1.58 0.00 -1.26 -5.15 121.76 118.36 3gtl s ALA 1105Ca 0.01 -1.58 0.01 0.00 0.00 0.00 0.00 51.96 50.41 3gtl s ALA 1105Cb -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.07 3gtl s ALA 1105CO 0.01 -0.08 -0.06 0.50 0.00 0.00 0.00 175.76 176.13 3gtl s ARG 1106N -3.74 0.49 -0.07 0.00 3.52 -1.26 -4.86 118.95 113.03 3gtl s ARG 1106Ca 0.20 -0.77 0.12 0.00 -0.13 0.00 0.00 55.73 55.14 3gtl s ARG 1106Cb 0.02 -0.14 0.21 0.00 -1.56 0.00 0.00 34.95 33.48 3gtl s ARG 1106CO 0.03 0.01 1.10 0.00 -0.81 0.00 0.00 175.30 175.64 3gtl n ALA 1107N 1.34 2.35 -0.40 6.12 0.00 -1.26 -5.03 120.51 123.65 3gtl n ALA 1107Ca -0.22 -2.02 0.00 0.00 0.00 0.00 0.00 53.44 51.20 3gtl n ALA 1107Cb 0.55 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.52 3gtl n ALA 1107CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3gtl n ARG 1108N -0.50 0.00 0.00 0.00 0.63 -1.26 -5.16 116.66 110.37 3gtl n ARG 1108Ca 0.08 0.14 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3gtl n ARG 1108Cb 0.76 -0.25 0.00 0.00 0.45 0.00 0.00 32.46 33.41 3gtl n ARG 1108CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3gtl n GLY 1109N 1.06 1.89 3.92 5.14 0.00 -1.26 -5.14 105.19 110.79 3gtl n GLY 1109Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 3gtl n GLY 1109CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gtl s PRO 1110N 3.79 2.87 0.14 1.61 0.04 -1.26 -5.10 135.00 137.08 3gtl s PRO 1110Ca 0.00 -0.03 0.07 0.00 0.04 0.00 0.00 61.00 61.08 3gtl s PRO 1110Cb 0.00 -2.27 -0.04 0.00 0.04 0.00 0.00 34.50 32.23 3gtl s PRO 1110CO 0.00 -0.74 -0.16 -1.64 0.04 0.00 0.00 177.00 174.51 3gtl s MET 1111N -5.00 1.11 1.19 4.56 -1.94 -1.26 -4.00 119.30 113.95 3gtl s MET 1111Ca 0.54 -1.29 -0.16 0.00 -1.71 0.00 0.00 55.69 53.07 3gtl s MET 1111Cb -0.11 -1.05 0.28 0.00 2.01 0.00 0.00 34.83 35.96 3gtl s MET 1111CO 0.45 0.21 1.04 -0.65 -0.01 0.00 0.00 175.02 176.05 3gtl s GLN 1112N -2.70 -1.10 -0.14 2.03 -0.21 0.32 -4.92 119.66 112.94 3gtl s GLN 1112Ca 0.11 0.43 -0.08 0.00 0.02 0.00 0.00 55.36 55.84 3gtl s GLN 1112Cb -0.05 -1.57 -0.24 0.00 1.00 0.00 0.00 33.01 32.15 3gtl s GLN 1112CO 0.04 -3.74 0.29 0.28 -2.12 0.00 0.00 175.29 170.04 3gtl n VAL 1113N -4.87 1.73 0.08 1.09 0.31 -1.26 -3.71 118.33 111.70 3gtl n VAL 1113Ca 0.07 -0.57 -0.12 0.00 -0.01 0.00 0.00 64.34 63.71 3gtl n VAL 1113Cb 0.57 -1.75 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 3gtl n VAL 1113CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3gtl h LEU 1114N -0.08 -0.21 0.00 7.52 5.85 -1.95 -3.37 115.31 123.06 3gtl h LEU 1114Ca -0.43 -0.31 -0.27 0.00 0.84 0.00 0.00 57.88 57.70 3gtl h LEU 1114Cb 1.93 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.97 3gtl h LEU 1114CO 0.03 0.27 -1.80 0.35 -0.34 0.00 0.00 178.44 176.94 3gtl n THR 1115N -4.98 1.41 -1.63 1.05 -2.24 -1.26 -4.97 114.28 101.66 3gtl n THR 1115Ca -0.08 -0.78 -0.14 0.00 -2.27 0.00 0.00 64.05 60.78 3gtl n THR 1115Cb 0.26 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.64 3gtl n THR 1115CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gtl n ARG 1116N -2.92 -0.98 -2.84 -0.78 1.74 -1.24 -3.83 116.66 105.81 3gtl n ARG 1116Ca -0.18 0.89 -0.22 0.00 -0.77 0.00 0.00 57.85 57.56 3gtl n ARG 1116Cb 1.01 -5.01 0.02 0.00 -1.02 0.00 0.00 32.46 27.46 3gtl n ARG 1116CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3gtl s GLN 1117N -3.57 2.87 1.16 5.56 -0.21 -1.26 -4.53 119.66 119.69 3gtl s GLN 1117Ca 0.00 -0.58 -0.17 0.00 0.02 0.00 0.00 55.36 54.62 3gtl s GLN 1117Cb 0.00 -2.53 0.23 0.00 1.00 0.00 0.00 33.01 31.71 3gtl s GLN 1117CO 0.00 -0.44 0.46 -2.30 -2.12 0.00 0.00 175.29 170.88 3gtl n PRO 1118N -2.19 -2.88 -4.03 2.91 -0.02 -1.26 0.12 135.00 127.65 3gtl n PRO 1118Ca 0.04 -0.85 -0.31 0.00 -2.02 0.00 0.00 63.50 60.36 3gtl n PRO 1118Cb 0.58 -1.67 -0.16 0.00 -0.02 0.00 0.00 33.50 32.23 3gtl n PRO 1118CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 3gtl s VAL 1119N -2.13 1.72 1.23 -1.45 -7.23 -1.26 -4.03 120.40 107.26 3gtl s VAL 1119Ca 0.49 -0.86 -0.18 0.00 -1.81 0.00 0.00 61.98 59.63 3gtl s VAL 1119Cb -0.10 -1.66 0.26 0.00 0.56 0.00 0.00 36.38 35.43 3gtl s VAL 1119CO 0.47 0.36 0.60 1.21 -0.31 0.00 0.00 175.10 177.43 3gtl n GLU 1120N 4.70 -2.98 0.00 4.82 2.13 -1.26 -2.87 120.64 125.18 3gtl n GLU 1120Ca -0.17 -0.87 0.00 0.00 0.66 0.00 0.00 57.16 56.78 3gtl n GLU 1120Cb 0.49 -1.86 0.00 0.00 0.27 0.00 0.00 31.44 30.34 3gtl n GLU 1120CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3gtl n GLY 1121N 1.78 -1.93 0.03 8.31 0.00 -1.26 -4.39 105.19 107.74 3gtl n GLY 1121Ca 0.06 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.41 3gtl n GLY 1121CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3gtl n ARG 1122N 0.00 2.39 0.06 1.61 1.85 -1.26 -4.08 116.66 117.23 3gtl n ARG 1122Ca 0.00 -0.01 0.03 0.00 -1.00 0.00 0.00 57.85 56.87 3gtl n ARG 1122Cb 0.00 -1.20 0.19 0.00 -1.05 0.00 0.00 32.46 30.40 3gtl n ARG 1122CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3gtl n SER 1123N -2.21 0.18 -0.89 2.89 3.41 -1.26 -0.24 113.62 115.49 3gtl n SER 1123Ca -0.11 0.53 0.01 0.00 -0.26 0.00 0.00 58.87 59.04 3gtl n SER 1123Cb 0.67 -0.54 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 3gtl n SER 1123CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3gtl n ARG 1124N -1.71 1.86 -3.60 4.33 3.00 -1.26 -4.91 116.66 114.38 3gtl n ARG 1124Ca -0.00 -3.11 -0.25 0.00 -0.01 0.00 0.00 57.85 54.47 3gtl n ARG 1124Cb 0.09 -1.74 0.05 0.00 0.00 0.00 0.00 32.46 30.86 3gtl n ARG 1124CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 3gtl n ASP 1125N -1.08 -4.48 -3.31 0.55 2.03 0.67 -4.68 116.55 106.25 3gtl n ASP 1125Ca 0.27 -0.90 0.00 0.00 0.52 0.00 0.00 54.79 54.68 3gtl n ASP 1125Cb 0.90 -3.95 0.00 0.00 -0.72 0.00 0.00 41.12 37.35 3gtl n ASP 1125CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3gtl n GLY 1126N -1.56 -2.46 2.84 0.27 0.00 -1.03 -4.69 105.19 98.56 3gtl n GLY 1126Ca -0.14 -0.83 -0.22 0.00 0.00 0.00 0.00 46.02 44.82 3gtl n GLY 1126CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gtl n GLY 1127N 0.00 3.43 3.12 -0.02 0.00 -1.14 -4.74 105.19 105.84 3gtl n GLY 1127Ca 0.00 -2.13 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 3gtl n GLY 1127CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gtl s LEU 1128N 0.00 1.95 -0.34 0.99 1.43 -1.26 -4.82 118.68 116.63 3gtl s LEU 1128Ca 0.14 -0.54 -0.30 0.00 -1.03 0.00 0.00 54.13 52.40 3gtl s LEU 1128Cb 0.01 -1.31 -0.08 0.00 0.03 0.00 0.00 46.19 44.83 3gtl s LEU 1128CO 0.10 0.04 2.27 -1.14 0.23 0.00 0.00 176.35 177.86 3gtl n ARG 1129N 4.21 1.42 -1.92 1.70 0.63 -1.26 -4.90 116.66 116.54 3gtl n ARG 1129Ca -0.19 0.33 -0.40 0.00 -0.92 0.00 0.00 57.85 56.66 3gtl n ARG 1129Cb 0.51 -2.96 -0.03 0.00 0.45 0.00 0.00 32.46 30.43 3gtl n ARG 1129CO 0.00 0.00 0.00 0.12 -2.51 0.00 0.00 177.63 175.24 3gtl s PHE 1130N 8.80 1.61 0.25 -0.14 5.36 -1.26 -4.92 117.98 127.68 3gtl s PHE 1130Ca 1.05 0.81 -0.31 0.00 -0.96 0.00 0.00 56.93 57.51 3gtl s PHE 1130Cb -0.51 -4.02 -0.13 0.00 -0.34 0.00 0.00 43.02 38.02 3gtl s PHE 1130CO 0.38 -2.75 1.45 0.41 -1.46 0.00 0.00 175.22 173.26 3gtl n GLY 1131N 5.62 0.90 0.27 13.12 0.00 -1.26 -4.82 105.19 119.01 3gtl n GLY 1131Ca 0.24 0.49 0.03 0.00 0.00 0.00 0.00 46.02 46.79 3gtl n GLY 1131CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gtl h GLU 1132N 4.38 0.47 -0.03 1.61 4.81 -1.99 0.39 114.58 124.22 3gtl h GLU 1132Ca -0.45 -0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.76 3gtl h GLU 1132Cb 1.26 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 30.54 3gtl h GLU 1132CO 0.77 0.31 0.06 1.98 -0.73 0.00 0.00 179.01 181.39 3gtl h MET 1133N 0.48 0.00 0.00 1.92 4.05 -2.00 -1.68 114.93 117.70 3gtl h MET 1133Ca 0.38 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.76 3gtl h MET 1133Cb 0.52 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.31 3gtl h MET 1133CO -0.35 0.00 -1.49 0.39 0.23 0.00 0.00 176.91 175.69 3gtl n GLU 1134N -3.50 0.63 0.04 0.39 4.71 -0.03 -3.89 120.64 118.99 3gtl n GLU 1134Ca -0.02 0.02 0.04 0.00 -0.01 0.00 0.00 57.16 57.18 3gtl n GLU 1134Cb 0.14 -1.70 0.42 0.00 -1.01 0.00 0.00 31.44 29.29 3gtl n GLU 1134CO 0.00 0.00 0.00 -0.09 0.09 0.00 0.00 177.13 177.13 3gtl h ARG 1135N 0.00 0.44 0.00 3.49 2.43 0.65 -2.10 114.38 119.29 3gtl h ARG 1135Ca -0.05 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.04 3gtl h ARG 1135Cb 1.15 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.61 3gtl h ARG 1135CO 0.01 0.35 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.25 3gtl h ASP 1136N 0.44 0.00 0.86 -3.80 3.32 -1.63 -1.09 116.42 114.51 3gtl h ASP 1136Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 3gtl h ASP 1136Cb 0.06 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.61 3gtl h ASP 1136CO -0.01 0.13 -0.53 0.00 -1.72 0.00 0.00 179.24 177.10 3gtl h MET 1138N 0.00 -0.09 -0.98 0.00 2.86 -0.97 -3.16 114.93 112.59 3gtl h MET 1138Ca 0.00 0.01 0.13 0.00 -2.06 0.00 0.00 59.70 57.78 3gtl h MET 1138Cb 0.70 0.02 -0.15 0.00 0.06 0.00 0.00 31.60 32.23 3gtl h MET 1138CO 0.00 0.33 -0.44 -0.89 1.06 0.00 0.00 176.91 176.97 3gtl n ILE 1139N -4.79 -0.56 -0.30 -1.22 5.41 -0.65 -1.50 119.36 115.75 3gtl n ILE 1139Ca -0.05 2.32 0.15 0.00 1.00 0.00 0.00 62.75 66.16 3gtl n ILE 1139Cb 0.23 -3.01 0.32 0.00 -0.71 0.00 0.00 39.64 36.46 3gtl n ILE 1139CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gtl h ALA 1140N 1.12 1.38 0.00 -1.39 0.00 -1.57 0.22 119.26 119.03 3gtl h ALA 1140Ca 0.29 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.42 3gtl h ALA 1140Cb 0.54 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.62 3gtl h ALA 1140CO -0.96 -0.48 0.00 0.45 0.00 0.00 0.00 179.25 178.26 3gtl h HIS 1141N 0.23 0.00 0.00 0.00 3.86 -1.22 -3.47 115.15 114.55 3gtl h HIS 1141Ca 0.58 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.79 3gtl h HIS 1141Cb 1.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.66 3gtl h HIS 1141CO -0.23 0.00 0.00 0.41 0.86 0.00 0.00 177.93 178.97 3gtl n GLY 1142N 0.87 1.46 3.63 2.45 0.00 0.79 -4.98 105.19 109.40 3gtl n GLY 1142Ca 0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 3gtl n GLY 1142CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtl s ALA 1143N -3.55 3.28 -0.15 4.61 0.00 -1.18 -4.85 121.76 119.92 3gtl s ALA 1143Ca 0.00 0.34 -0.02 0.00 0.00 0.00 0.00 51.96 52.29 3gtl s ALA 1143Cb 0.00 -3.84 -0.08 0.00 0.00 0.00 0.00 23.12 19.20 3gtl s ALA 1143CO 0.00 -1.94 -0.15 0.00 0.00 0.00 0.00 175.76 173.67 3gtl n ALA 1144N 8.30 1.80 0.20 0.00 0.00 -1.26 -4.41 120.51 125.13 3gtl n ALA 1144Ca 0.18 -0.61 0.05 0.00 0.00 0.00 0.00 53.44 53.06 3gtl n ALA 1144Cb 0.46 0.21 0.42 0.00 0.00 0.00 0.00 19.45 20.54 3gtl n ALA 1144CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3gtl h SER 1145N -0.18 0.00 0.36 0.00 0.87 -2.01 0.10 113.55 112.69 3gtl h SER 1145Ca -0.34 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.18 3gtl h SER 1145Cb 1.44 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.40 3gtl h SER 1145CO -0.11 0.33 -0.17 0.15 -0.53 0.00 0.00 176.83 176.50 3gtl h PHE 1146N 0.00 0.00 0.00 2.24 3.57 -1.98 -3.05 116.94 117.72 3gtl h PHE 1146Ca -0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3gtl h PHE 1146Cb 0.66 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.40 3gtl h PHE 1146CO 0.00 0.17 -0.98 -0.11 -2.23 0.00 0.00 178.31 175.16 3gtl n LEU 1147N -3.81 0.63 0.06 0.59 0.00 -0.02 -1.89 117.00 112.57 3gtl n LEU 1147Ca -0.02 0.06 -0.22 0.00 0.00 0.00 0.00 56.01 55.83 3gtl n LEU 1147Cb 0.27 -0.11 -0.15 0.00 0.00 0.00 0.00 43.42 43.43 3gtl n LEU 1147CO 0.32 0.00 -0.32 0.50 0.00 0.00 0.00 177.39 177.90 3gtl h LYS 1148N 0.00 0.36 -0.22 1.96 3.64 -1.43 -3.22 116.57 117.67 3gtl h LYS 1148Ca 0.00 -0.62 -0.16 0.00 -1.27 0.00 0.00 60.65 58.60 3gtl h LYS 1148Cb 0.77 0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.82 3gtl h LYS 1148CO 0.00 1.30 -0.49 1.49 -2.27 0.00 0.00 179.45 179.48 3gtl h GLU 1149N -0.11 0.72 -0.80 1.90 4.81 -1.58 -2.20 114.58 117.32 3gtl h GLU 1149Ca -0.27 -0.48 0.08 0.00 -0.13 0.00 0.00 59.36 58.56 3gtl h GLU 1149Cb 1.92 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 31.30 3gtl h GLU 1149CO 0.16 1.10 0.46 0.00 -0.73 0.00 0.00 179.01 180.00 3gtl h ARG 1150N 0.43 0.77 -3.59 1.92 2.47 -1.56 -3.15 114.38 111.68 3gtl h ARG 1150Ca 0.00 -0.05 -0.78 0.00 -1.26 0.00 0.00 59.98 57.89 3gtl h ARG 1150Cb 1.10 -0.17 -0.29 0.00 -1.65 0.00 0.00 29.97 28.96 3gtl h ARG 1150CO 0.11 0.51 0.26 -0.51 0.56 0.00 0.00 179.97 180.90 3gtl s LEU 1151N -10.26 6.28 0.00 3.04 1.02 -0.84 -3.99 118.68 113.93 3gtl s LEU 1151Ca -0.12 -3.39 0.00 0.00 0.02 0.00 0.00 54.13 50.63 3gtl s LEU 1151Cb 0.18 -2.15 0.00 0.00 0.02 0.00 0.00 46.19 44.24 3gtl s LEU 1151CO 0.78 -0.34 0.00 0.23 0.02 0.00 0.00 176.35 177.04 3gtl n MET 1152N 2.95 0.00 -0.18 1.70 2.81 -1.15 -4.70 117.12 118.55 3gtl n MET 1152Ca 0.21 0.00 0.14 0.00 -1.81 0.00 0.00 57.70 56.23 3gtl n MET 1152Cb 0.40 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 33.17 3gtl n MET 1152CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 3gtl n GLU 1153N 0.00 -0.04 0.00 0.03 4.71 -1.19 -2.59 120.64 121.56 3gtl n GLU 1153Ca 0.00 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.94 3gtl n GLU 1153Cb 0.00 -1.35 0.00 0.00 -1.01 0.00 0.00 31.44 29.08 3gtl n GLU 1153CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 3gtl n ALA 1154N -2.93 0.02 0.00 0.62 0.00 -1.25 -4.81 120.51 112.16 3gtl n ALA 1154Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 3gtl n ALA 1154Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 3gtl n ALA 1154CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gtl n SER 1155N 0.00 0.00 0.00 0.00 2.88 -1.25 -4.49 113.62 110.76 3gtl n SER 1155Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 3gtl n SER 1155Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 3gtl n SER 1155CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 3gtl n ASP 1156N -1.32 0.00 -0.85 -3.46 10.43 -1.08 -4.00 116.55 116.28 3gtl n ASP 1156Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3gtl n ASP 1156Cb 0.00 0.00 -0.00 0.00 1.84 0.00 0.00 41.12 42.96 3gtl n ASP 1156CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3gtl n ALA 1157N -3.00 -1.30 0.00 2.24 0.00 -1.07 -4.57 120.51 112.81 3gtl n ALA 1157Ca 0.00 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.71 3gtl n ALA 1157Cb 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.43 3gtl n ALA 1157CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3gtl n PHE 1158N -2.13 0.00 -3.64 0.00 7.35 -0.93 -4.18 117.46 113.93 3gtl n PHE 1158Ca -0.00 0.00 -0.39 0.00 -0.76 0.00 0.00 57.45 56.30 3gtl n PHE 1158Cb 0.27 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.00 3gtl n PHE 1158CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3gtl s ARG 1159N -1.16 2.33 0.32 -4.13 3.00 -1.26 -2.56 118.95 115.48 3gtl s ARG 1159Ca 0.00 -1.86 0.02 0.00 -1.00 0.00 0.00 55.73 52.89 3gtl s ARG 1159Cb 0.00 -3.80 -0.03 0.00 0.00 0.00 0.00 34.95 31.12 3gtl s ARG 1159CO 0.00 -1.15 0.49 0.08 0.00 0.00 0.00 175.30 174.72 3gtl s VAL 1160N 1.15 5.06 -0.15 7.11 1.01 -1.09 -4.96 120.40 128.53 3gtl s VAL 1160Ca 0.08 -0.65 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 3gtl s VAL 1160Cb -0.24 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 3gtl s VAL 1160CO -0.02 -0.46 -0.14 -1.00 0.00 0.00 0.00 175.10 173.47 3gtl s HIS 1161N -2.22 2.80 -0.05 5.22 3.76 -1.26 -2.58 115.29 120.96 3gtl s HIS 1161Ca 0.39 -0.88 0.04 0.00 -0.15 0.00 0.00 55.06 54.46 3gtl s HIS 1161Cb -0.09 -1.88 -0.02 0.00 1.11 0.00 0.00 32.58 31.69 3gtl s HIS 1161CO 0.34 -0.38 -0.15 0.42 -0.85 0.00 0.00 174.74 174.12 3gtl s ILE 1162N 0.67 2.96 -0.00 0.60 -1.09 -1.02 -4.40 121.20 118.92 3gtl s ILE 1162Ca -0.07 -0.76 -0.26 0.00 -2.23 0.00 0.00 60.65 57.32 3gtl s ILE 1162Cb -0.16 -2.15 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 3gtl s ILE 1162CO 0.02 0.59 0.83 0.00 -1.23 0.00 0.00 174.94 175.15 3gtl h GLY 1164N 6.38 0.00 0.00 0.00 0.00 -0.55 -3.35 103.07 105.55 3gtl h GLY 1164Ca -0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.91 3gtl h GLY 1164CO 0.74 0.00 0.00 1.39 0.00 0.00 0.00 176.54 178.67 3gtl n ILE 1165N -3.77 0.00 -1.59 2.60 2.08 -1.26 -4.80 119.36 112.61 3gtl n ILE 1165Ca -0.02 0.00 -0.44 0.00 0.56 0.00 0.00 62.75 62.85 3gtl n ILE 1165Cb 0.16 -0.03 -0.04 0.00 -0.75 0.00 0.00 39.64 38.98 3gtl n ILE 1165CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3gtl n GLY 1167N 5.70 1.67 0.58 0.00 0.00 -1.26 -4.10 105.19 107.79 3gtl n GLY 1167Ca 0.30 -0.11 -0.05 0.00 0.00 0.00 0.00 46.02 46.17 3gtl n GLY 1167CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3gtl n LEU 1168N 1.89 0.00 -2.90 0.99 4.77 -1.26 -0.52 117.00 119.98 3gtl n LEU 1168Ca 0.04 -0.53 -0.38 0.00 -0.03 0.00 0.00 56.01 55.11 3gtl n LEU 1168Cb 0.31 0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.57 3gtl n LEU 1168CO 0.03 -0.08 1.29 0.23 -1.33 0.00 0.00 177.39 177.53 3gtl n MET 1169N -0.17 3.07 0.22 3.23 2.81 -1.26 -2.46 117.12 122.56 3gtl n MET 1169Ca -0.02 -3.80 0.12 0.00 -1.81 0.00 0.00 57.70 52.19 3gtl n MET 1169Cb 0.11 -2.28 0.24 0.00 -0.71 0.00 0.00 33.22 30.57 3gtl n MET 1169CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 3gtl h THR 1170N 2.13 0.12 -1.87 2.03 2.02 -1.90 -3.47 112.91 111.97 3gtl h THR 1170Ca 0.51 -1.07 -0.64 0.00 0.77 0.00 0.00 66.41 65.98 3gtl h THR 1170Cb 0.20 1.97 0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3gtl h THR 1170CO 1.31 0.06 1.13 0.52 0.37 0.00 0.00 175.52 178.92 3gtl n VAL 1171N -3.12 0.50 -2.90 3.16 0.31 -1.26 -4.88 118.33 110.14 3gtl n VAL 1171Ca 0.03 -0.13 -0.43 0.00 -0.01 0.00 0.00 64.34 63.80 3gtl n VAL 1171Cb 0.52 -1.81 -0.05 0.00 -0.91 0.00 0.00 33.84 31.59 3gtl n VAL 1171CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 3gtl s ILE 1172N 4.58 4.60 -1.28 2.52 1.01 -1.23 -4.92 121.20 126.48 3gtl s ILE 1172Ca 0.96 0.69 -0.11 0.00 0.00 0.00 0.00 60.65 62.19 3gtl s ILE 1172Cb -0.74 -4.34 0.15 0.00 0.01 0.00 0.00 42.46 37.55 3gtl s ILE 1172CO 0.52 -0.68 1.80 0.00 0.00 0.00 0.00 174.94 176.58 3gtl n ALA 1173N 6.81 4.92 -1.11 9.38 0.00 -1.26 -4.43 120.51 134.82 3gtl n ALA 1173Ca 0.04 -4.23 -0.36 0.00 0.00 0.00 0.00 53.44 48.89 3gtl n ALA 1173Cb 0.48 -3.09 -0.03 0.00 0.00 0.00 0.00 19.45 16.81 3gtl n ALA 1173CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gtl n LYS 1174N 4.76 2.03 -1.36 0.00 5.02 -1.09 -4.92 118.16 122.60 3gtl n LYS 1174Ca 0.41 -1.85 -0.31 0.00 -2.02 0.00 0.00 58.31 54.54 3gtl n LYS 1174Cb 0.39 -2.81 0.08 0.00 -0.02 0.00 0.00 35.03 32.67 3gtl n LYS 1174CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3gtl s LEU 1175N 0.89 3.07 0.00 -0.35 0.20 -1.26 -3.26 118.68 117.97 3gtl s LEU 1175Ca 0.51 1.78 0.00 0.00 0.69 0.00 0.00 54.13 57.11 3gtl s LEU 1175Cb 0.13 -4.52 0.00 0.00 -0.43 0.00 0.00 46.19 41.38 3gtl s LEU 1175CO 0.03 -1.87 0.00 -3.20 -0.29 0.00 0.00 176.35 171.02 3gtl n ASN 1176N -3.37 0.00 -0.40 3.68 5.15 -1.26 -4.63 115.26 114.43 3gtl n ASN 1176Ca 0.09 0.00 0.04 0.00 -0.60 0.00 0.00 54.58 54.10 3gtl n ASN 1176Cb 0.53 -0.20 0.08 0.00 -0.53 0.00 0.00 39.78 39.67 3gtl n ASN 1176CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 3gtl n HIS 1177N -1.94 0.23 0.00 1.20 8.25 -1.20 -4.99 115.22 116.76 3gtl n HIS 1177Ca 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 3gtl n HIS 1177Cb 0.00 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.09 3gtl n HIS 1177CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3gtl n ASN 1178N 0.25 0.00 -4.66 0.41 3.02 -1.24 -4.91 115.26 108.12 3gtl n ASN 1178Ca 0.07 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.19 3gtl n ASN 1178Cb 0.32 -0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 3gtl n ASN 1178CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gtl n GLN 1179N -1.03 2.69 -0.01 3.52 6.02 -1.24 -4.88 117.38 122.45 3gtl n GLN 1179Ca 0.00 0.98 -0.01 0.00 -0.01 0.00 0.00 57.00 57.96 3gtl n GLN 1179Cb 0.00 -2.95 -0.00 0.00 1.02 0.00 0.00 30.24 28.30 3gtl n GLN 1179CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.06 177.24 3gtl n PHE 1180N 7.61 0.00 -1.30 1.08 3.01 -1.26 -2.67 117.46 123.93 3gtl n PHE 1180Ca 0.21 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.67 3gtl n PHE 1180Cb 0.39 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3gtl n PHE 1180CO 0.00 0.00 0.00 0.39 1.01 0.00 0.00 176.76 178.16 3gtl n GLU 1181N -2.74 -3.56 -3.29 -1.08 1.02 -1.26 -4.01 120.64 105.72 3gtl n GLU 1181Ca -0.01 2.71 -0.25 0.00 -0.02 0.00 0.00 57.16 59.59 3gtl n GLU 1181Cb 0.05 -3.24 -0.08 0.00 -0.02 0.00 0.00 31.44 28.14 3gtl n GLU 1181CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3gtl n LYS 1183N 1.86 2.05 0.00 0.00 2.85 -1.26 -1.12 118.16 122.53 3gtl n LYS 1183Ca 0.24 0.73 0.00 0.00 -1.05 0.00 0.00 58.31 58.23 3gtl n LYS 1183Cb 0.50 -2.38 0.00 0.00 -0.65 0.00 0.00 35.03 32.50 3gtl n LYS 1183CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3gtl n GLY 1184N 2.08 2.06 0.08 2.58 0.00 -1.26 -4.63 105.19 106.09 3gtl n GLY 1184Ca 0.11 -0.69 0.03 0.00 0.00 0.00 0.00 46.02 45.48 3gtl n GLY 1184CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gtl n ASP 1186N -0.46 -3.71 -4.65 0.00 8.00 -0.28 -4.92 116.55 110.54 3gtl n ASP 1186Ca 0.06 0.10 -0.40 0.00 0.71 0.00 0.00 54.79 55.25 3gtl n ASP 1186Cb 0.06 -2.66 -0.06 0.00 -0.02 0.00 0.00 41.12 38.43 3gtl n ASP 1186CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 3gtl s ASN 1187N -1.53 6.62 -0.01 -2.24 3.84 -1.13 -4.84 114.94 115.65 3gtl s ASN 1187Ca 0.00 0.76 0.05 0.00 0.21 0.00 0.00 52.86 53.88 3gtl s ASN 1187Cb 0.00 -2.33 0.14 0.00 -0.55 0.00 0.00 41.25 38.51 3gtl s ASN 1187CO 0.00 -0.29 1.11 0.29 -2.79 0.00 0.00 177.10 175.43 3gtl n LYS 1188N 5.23 2.88 0.05 0.43 5.02 -1.26 0.10 118.16 130.61 3gtl n LYS 1188Ca -0.02 -1.79 0.00 0.00 -2.02 0.00 0.00 58.31 54.48 3gtl n LYS 1188Cb 0.50 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.36 3gtl n LYS 1188CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gtl n ILE 1189N -0.16 0.21 -1.64 -0.18 -0.00 -1.26 -4.62 119.36 111.72 3gtl n ILE 1189Ca 0.06 0.07 -0.15 0.00 -0.00 0.00 0.00 62.75 62.72 3gtl n ILE 1189Cb 0.35 -0.62 -0.07 0.00 -0.00 0.00 0.00 39.64 39.31 3gtl n ILE 1189CO 0.00 0.00 0.00 -1.81 -0.00 0.00 0.00 176.55 174.74 3gtl s ASP 1190N -4.83 4.06 -0.07 4.38 1.11 -1.26 -4.89 116.67 115.17 3gtl s ASP 1190Ca 0.00 -0.06 -0.06 0.00 0.18 0.00 0.00 52.55 52.62 3gtl s ASP 1190Cb 0.00 -2.55 0.02 0.00 1.07 0.00 0.00 42.92 41.46 3gtl s ASP 1190CO 0.00 -3.73 0.18 -0.63 1.18 0.00 0.00 175.17 172.17 3gtl s ILE 1191N 14.16 -0.01 -0.11 0.77 1.01 -1.26 0.25 121.20 136.01 3gtl s ILE 1191Ca 0.89 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 61.57 3gtl s ILE 1191Cb -0.12 -0.26 0.02 0.00 0.01 0.00 0.00 42.46 42.11 3gtl s ILE 1191CO 0.07 0.01 -0.07 -0.31 0.00 0.00 0.00 174.94 174.64 3gtl s TYR 1192N 0.31 1.41 0.08 3.97 1.51 0.54 -4.91 117.35 120.26 3gtl s TYR 1192Ca -0.02 -0.69 -0.31 0.00 -1.01 0.00 0.00 57.07 55.04 3gtl s TYR 1192Cb -0.03 -1.20 -0.07 0.00 -0.11 0.00 0.00 41.96 40.55 3gtl s TYR 1192CO -0.01 -0.50 1.33 -1.14 -1.11 0.00 0.00 175.55 174.12 3gtl s GLN 1193N 1.73 4.35 0.10 -0.62 0.74 -1.26 -2.43 119.66 122.27 3gtl s GLN 1193Ca 0.05 1.97 0.03 0.00 0.05 0.00 0.00 55.36 57.45 3gtl s GLN 1193Cb -0.13 -3.32 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 3gtl s GLN 1193CO -0.08 -0.40 -0.08 0.96 -0.55 0.00 0.00 175.29 175.14 3gtl s ILE 1194N 1.25 0.85 -0.27 -2.34 -0.00 -1.06 -5.01 121.20 114.61 3gtl s ILE 1194Ca 0.63 -1.79 -0.08 0.00 -0.00 0.00 0.00 60.65 59.41 3gtl s ILE 1194Cb -0.34 -1.52 -0.02 0.00 -0.00 0.00 0.00 42.46 40.58 3gtl s ILE 1194CO 0.29 -0.71 0.09 -1.00 -0.00 0.00 0.00 174.94 173.62 3gtl s HIS 1195N -2.99 3.12 0.07 1.37 3.76 -1.26 -2.68 115.29 116.68 3gtl s HIS 1195Ca 0.09 -0.50 0.01 0.00 -0.15 0.00 0.00 55.06 54.51 3gtl s HIS 1195Cb 0.01 -2.27 -0.04 0.00 1.11 0.00 0.00 32.58 31.39 3gtl s HIS 1195CO -0.02 -0.40 -0.06 0.96 -0.85 0.00 0.00 174.74 174.37 3gtl s ILE 1196N 1.61 0.55 0.58 0.60 -0.00 -1.06 -4.99 121.20 118.49 3gtl s ILE 1196Ca 0.06 -1.69 -0.19 0.00 -0.00 0.00 0.00 60.65 58.82 3gtl s ILE 1196Cb -0.16 -1.36 -0.05 0.00 -0.00 0.00 0.00 42.46 40.89 3gtl s ILE 1196CO 0.04 -0.78 1.02 -2.65 -0.00 0.00 0.00 174.94 172.58 3gtl n PRO 1197N 0.37 1.04 0.22 0.37 -0.02 -1.26 -2.20 135.00 133.52 3gtl n PRO 1197Ca -0.15 0.40 -0.15 0.00 -2.02 0.00 0.00 63.50 61.57 3gtl n PRO 1197Cb 0.59 -2.21 -0.08 0.00 -0.02 0.00 0.00 33.50 31.78 3gtl n PRO 1197CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 3gtl h TYR 1198N 0.69 -0.50 -0.79 6.00 3.20 -1.84 -2.91 116.97 120.82 3gtl h TYR 1198Ca -0.48 -0.01 0.23 0.00 3.14 0.00 0.00 58.73 61.60 3gtl h TYR 1198Cb 1.35 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.76 3gtl h TYR 1198CO 0.39 -0.24 0.98 0.00 -1.64 0.00 0.00 178.16 177.65 3gtl h ALA 1199N -0.11 2.65 0.12 1.82 0.00 -1.91 0.37 119.26 122.20 3gtl h ALA 1199Ca -0.05 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 3gtl h ALA 1199Cb 0.48 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3gtl h ALA 1199CO 0.09 -1.39 -0.06 0.00 0.00 0.00 0.00 179.25 177.89 3gtl h ALA 1200N 0.78 -0.17 -0.97 0.00 0.00 -1.88 -0.82 119.26 116.20 3gtl h ALA 1200Ca 0.37 -0.20 0.26 0.00 0.00 0.00 0.00 54.91 55.35 3gtl h ALA 1200Cb 2.33 0.06 -0.13 0.00 0.00 0.00 0.00 17.79 20.05 3gtl h ALA 1200CO -0.00 -0.20 0.51 -0.22 0.00 0.00 0.00 179.25 179.34 3gtl h LYS 1201N -0.96 0.44 -0.16 0.00 3.11 -0.29 0.87 116.57 119.57 3gtl h LYS 1201Ca -0.02 -0.03 0.02 0.00 -2.81 0.00 0.00 60.65 57.82 3gtl h LYS 1201Cb 0.45 -0.10 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 3gtl h LYS 1201CO 0.03 0.29 0.01 1.25 -2.81 0.00 0.00 179.45 178.22 3gtl h LEU 1202N 0.45 -0.03 -0.33 5.20 7.12 -1.07 0.45 115.31 127.10 3gtl h LEU 1202Ca 0.64 0.03 0.06 0.00 0.13 0.00 0.00 57.88 58.74 3gtl h LEU 1202Cb 1.28 0.05 -0.05 0.00 -0.53 0.00 0.00 40.66 41.41 3gtl h LEU 1202CO -0.53 0.01 -0.01 0.25 -0.13 0.00 0.00 178.44 178.03 3gtl h LEU 1203N 0.08 -0.15 0.06 2.25 5.85 0.20 -1.78 115.31 121.81 3gtl h LEU 1203Ca 0.08 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gtl h LEU 1203Cb 0.08 0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gtl h LEU 1203CO -0.11 -0.04 -0.03 -0.26 -0.34 0.00 0.00 178.44 177.66 3gtl h PHE 1204N 0.08 -0.07 -0.04 1.25 0.05 0.53 -0.80 116.94 117.95 3gtl h PHE 1204Ca 0.16 -0.00 0.01 0.00 3.82 0.00 0.00 57.97 61.96 3gtl h PHE 1204Cb 0.22 0.02 -0.03 0.00 2.00 0.00 0.00 35.95 38.17 3gtl h PHE 1204CO -0.24 0.08 -0.25 1.96 -0.18 0.00 0.00 178.31 179.68 3gtl h GLN 1205N -0.21 -0.28 -0.94 1.51 4.20 0.00 0.19 115.11 119.58 3gtl h GLN 1205Ca -0.01 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.85 3gtl h GLN 1205Cb 0.18 0.06 -0.14 0.00 0.30 0.00 0.00 27.48 27.88 3gtl h GLN 1205CO 0.01 -0.18 -0.41 0.39 -0.67 0.00 0.00 178.83 177.97 3gtl n GLU 1206N -3.87 -0.26 -0.09 1.46 1.02 -0.68 -0.34 120.64 117.88 3gtl n GLU 1206Ca -0.03 1.44 -0.10 0.00 -0.02 0.00 0.00 57.16 58.45 3gtl n GLU 1206Cb 0.18 -2.14 -0.04 0.00 -0.02 0.00 0.00 31.44 29.42 3gtl n GLU 1206CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gtl h LEU 1207N 0.00 -1.31 -0.98 -4.62 3.38 0.14 0.24 115.31 112.16 3gtl h LEU 1207Ca 0.29 0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.66 3gtl h LEU 1207Cb 0.52 0.57 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 3gtl h LEU 1207CO -0.92 -0.37 0.57 0.24 0.09 0.00 0.00 178.44 178.04 3gtl h MET 1208N -0.36 0.65 0.00 1.13 2.86 0.23 0.42 114.93 119.86 3gtl h MET 1208Ca 0.13 -0.04 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 3gtl h MET 1208Cb 0.58 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.08 3gtl h MET 1208CO -0.51 0.43 -0.52 0.00 1.06 0.00 0.00 176.91 177.37 3gtl h ALA 1209N 1.67 0.88 -0.05 6.32 0.00 -0.15 -1.05 119.26 126.88 3gtl h ALA 1209Ca 0.58 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3gtl h ALA 1209Cb 0.98 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gtl h ALA 1209CO -0.42 0.65 0.00 -0.12 0.00 0.00 0.00 179.25 179.36 3gtl n MET 1210N -3.54 1.32 -3.31 0.00 0.00 0.14 -4.88 117.12 106.86 3gtl n MET 1210Ca -0.00 -0.26 -0.18 0.00 0.00 0.00 0.00 57.70 57.26 3gtl n MET 1210Cb 0.61 -1.55 0.07 0.00 0.00 0.00 0.00 33.22 32.35 3gtl n MET 1210CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 175.97 174.26 3gtl n ASN 1211N 0.06 -4.47 -3.80 6.12 2.85 -0.40 -5.00 115.26 110.61 3gtl n ASN 1211Ca 0.02 -0.45 -0.21 0.00 -0.11 0.00 0.00 54.58 53.84 3gtl n ASN 1211Cb 0.34 -4.15 -0.17 0.00 1.24 0.00 0.00 39.78 37.03 3gtl n ASN 1211CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3gtl s ILE 1212N -3.27 0.32 -0.53 -1.44 1.01 -1.12 -5.01 121.20 111.17 3gtl s ILE 1212Ca 0.33 0.08 -0.25 0.00 0.00 0.00 0.00 60.65 60.81 3gtl s ILE 1212Cb -0.15 -0.44 0.04 0.00 0.01 0.00 0.00 42.46 41.92 3gtl s ILE 1212CO 0.58 0.22 0.99 0.42 0.00 0.00 0.00 174.94 177.15 3gtl s THR 1213N 1.52 4.34 -0.58 2.92 -4.23 -1.26 -3.14 115.64 115.20 3gtl s THR 1213Ca -0.02 0.51 -0.20 0.00 -1.18 0.00 0.00 61.69 60.80 3gtl s THR 1213Cb -0.13 -4.55 0.09 0.00 1.34 0.00 0.00 72.50 69.25 3gtl s THR 1213CO -0.03 -1.09 0.73 -2.16 -0.54 0.00 0.00 174.62 171.53 3gtl s PRO 1214N 4.09 3.08 0.13 3.99 0.04 -1.26 -5.05 135.00 140.03 3gtl s PRO 1214Ca 0.34 -1.11 -0.30 0.00 0.04 0.00 0.00 61.00 59.98 3gtl s PRO 1214Cb -0.11 -4.21 -0.06 0.00 0.04 0.00 0.00 34.50 30.16 3gtl s PRO 1214CO 0.22 -1.50 0.99 1.03 0.04 0.00 0.00 177.00 177.79 3gtl s ARG 1215N 2.90 4.68 -0.27 4.56 1.81 -1.26 -4.80 118.95 126.57 3gtl s ARG 1215Ca 0.14 1.52 -0.06 0.00 -1.72 0.00 0.00 55.73 55.61 3gtl s ARG 1215Cb -0.22 -3.35 -0.00 0.00 -0.45 0.00 0.00 34.95 30.93 3gtl s ARG 1215CO 0.09 0.20 0.05 -0.51 -0.68 0.00 0.00 175.30 174.45 3gtl s LEU 1216N -0.15 3.54 -0.04 2.53 1.43 0.33 -5.03 118.68 121.28 3gtl s LEU 1216Ca 0.47 -0.52 0.04 0.00 -1.03 0.00 0.00 54.13 53.10 3gtl s LEU 1216Cb -0.25 -1.86 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3gtl s LEU 1216CO 0.31 -0.12 -0.16 -0.31 0.23 0.00 0.00 176.35 176.30 3gtl s TYR 1217N 1.52 2.64 -0.22 0.29 1.51 -1.26 -4.76 117.35 117.08 3gtl s TYR 1217Ca 0.04 -0.20 0.22 0.00 -1.01 0.00 0.00 57.07 56.13 3gtl s TYR 1217Cb -0.16 -1.60 -0.05 0.00 -0.11 0.00 0.00 41.96 40.04 3gtl s TYR 1217CO 0.01 0.16 0.95 0.25 -1.11 0.00 0.00 175.55 175.81 3gtl n THR 1218N 2.27 0.49 -4.84 -0.71 -2.24 -1.26 -4.93 114.28 103.05 3gtl n THR 1218Ca -0.17 -0.52 -0.33 0.00 -2.27 0.00 0.00 64.05 60.76 3gtl n THR 1218Cb 0.52 -0.25 -0.13 0.00 -2.10 0.00 0.00 70.33 68.37 3gtl n THR 1218CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3gtl s ASP 1219N -5.14 4.14 0.50 3.42 1.47 -1.26 -5.03 116.67 114.77 3gtl s ASP 1219Ca -0.02 -0.17 0.24 0.00 1.18 0.00 0.00 52.55 53.78 3gtl s ASP 1219Cb 0.11 -0.94 1.31 0.00 -0.34 0.00 0.00 42.92 43.06 3gtl s ASP 1219CO 0.81 0.34 1.94 0.03 0.68 0.00 0.00 175.17 178.97 3gtl h ARG 1220N 5.40 0.13 -6.99 2.11 2.47 -2.07 -3.45 114.38 111.97 3gtl h ARG 1220Ca -0.46 -0.01 -0.55 0.00 -1.26 0.00 0.00 59.98 57.71 3gtl h ARG 1220Cb 1.16 -0.03 0.13 0.00 -1.65 0.00 0.00 29.97 29.58 3gtl h ARG 1220CO 0.51 0.08 0.67 0.43 0.56 0.00 0.00 179.97 182.22 3gtl n SER 1221N -4.39 3.12 0.00 7.04 7.64 -1.26 -5.02 113.62 120.75 3gtl n SER 1221Ca 0.14 1.08 0.00 0.00 1.01 0.00 0.00 58.87 61.10 3gtl n SER 1221Cb 0.69 -1.59 0.00 0.00 -1.01 0.00 0.00 64.21 62.30 3gtl n SER 1221CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3gtl n ARG 1222N -0.43 0.00 0.00 1.43 5.12 -1.26 -5.05 116.66 116.47 3gtl n ARG 1222Ca 0.07 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.99 3gtl n ARG 1222Cb 0.42 -0.47 0.00 0.00 -1.16 0.00 0.00 32.46 31.25 3gtl n ARG 1222CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 3gtl n ASP 1223N -0.38 0.00 -0.76 0.55 10.43 -1.26 -5.20 116.55 119.93 3gtl n ASP 1223Ca 0.00 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.45 3gtl n ASP 1223Cb 0.00 0.00 0.08 0.00 1.84 0.00 0.00 41.12 43.04 3gtl n ASP 1223CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46