#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fga n PRO 25 N 0.00 0.10 0.09 0.54 -0.02 -1.26 -4.31 135.00 130.14 3fga n PRO 25 Ca 0.00 0.13 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 3fga n PRO 25 Cb 0.00 -1.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.85 3fga n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fga n ALA 26 N -1.61 2.62 0.00 3.55 0.00 -1.26 -4.81 120.51 118.99 3fga n ALA 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3fga n ALA 26 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.79 3fga n ALA 26 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3fga n ASP 27 N -3.05 0.00 -0.05 0.00 5.68 -1.26 0.10 116.55 117.97 3fga n ASP 27 Ca 0.00 0.10 -0.12 0.00 -0.50 0.00 0.00 54.79 54.28 3fga n ASP 27 Cb 0.00 -0.10 -0.06 0.00 -1.14 0.00 0.00 41.12 39.82 3fga n ASP 27 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 3fga h GLN 28 N 0.00 0.26 0.00 0.11 7.50 -1.88 -2.62 115.11 118.48 3fga h GLN 28 Ca 0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 58.65 59.05 3fga h GLN 28 Cb 0.11 -0.03 -0.00 0.00 0.05 0.00 0.00 27.48 27.61 3fga h GLN 28 CO 0.00 0.47 -0.12 1.49 -1.50 0.00 0.00 178.83 179.16 3fga h GLU 29 N 0.02 0.00 -0.06 1.46 4.81 0.31 -1.69 114.58 119.44 3fga h GLU 29 Ca 0.04 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 59.02 3fga h GLU 29 Cb 0.34 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.74 3fga h GLU 29 CO 0.01 0.12 -0.95 0.87 -0.73 0.00 0.00 179.01 178.33 3fga h LYS 30 N 0.00 0.73 -0.03 1.92 1.57 -1.63 -3.22 116.57 115.91 3fga h LYS 30 Ca -0.00 -0.71 -0.11 0.00 -1.87 0.00 0.00 60.65 57.96 3fga h LYS 30 Cb 0.23 0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3fga h LYS 30 CO 0.02 1.30 -0.49 1.37 -0.57 0.00 0.00 179.45 181.08 3fga h LEU 31 N 0.45 0.08 0.56 2.94 -0.00 -1.02 -1.83 115.31 116.48 3fga h LEU 31 Ca -0.10 -0.04 -0.03 0.00 -0.00 0.00 0.00 57.88 57.71 3fga h LEU 31 Cb 1.59 -0.02 0.01 0.00 -0.00 0.00 0.00 40.66 42.23 3fga h LEU 31 CO 0.19 0.56 -0.27 0.15 -0.00 0.00 0.00 178.44 179.07 3fga h PHE 32 N 0.06 -0.70 -0.82 0.17 -0.00 -1.43 -2.55 116.94 111.68 3fga h PHE 32 Ca 0.00 -0.02 0.13 0.00 -0.00 0.00 0.00 57.97 58.08 3fga h PHE 32 Cb 0.89 0.23 -0.09 0.00 -0.00 0.00 0.00 35.95 36.98 3fga h PHE 32 CO 0.01 -0.37 0.42 0.82 -0.00 0.00 0.00 178.31 179.18 3fga h ILE 33 N -0.96 0.77 -0.91 1.41 2.04 -1.55 -0.60 117.51 117.71 3fga h ILE 33 Ca -0.08 -0.22 0.11 0.00 1.00 0.00 0.00 64.86 65.68 3fga h ILE 33 Cb 0.64 0.08 -0.07 0.00 -0.74 0.00 0.00 36.82 36.73 3fga h ILE 33 CO 0.13 0.12 0.58 -0.61 0.00 0.00 0.00 178.15 178.37 3fga h GLN 34 N 0.63 0.83 0.09 2.37 4.15 -1.27 -2.08 115.11 119.83 3fga h GLN 34 Ca 0.43 -0.05 -0.25 0.00 0.77 0.00 0.00 58.65 59.55 3fga h GLN 34 Cb 0.56 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.06 3fga h GLN 34 CO -0.33 0.55 -1.13 0.87 -1.93 0.00 0.00 178.83 176.85 3fga h LYS 35 N 0.86 0.28 -0.21 1.69 1.57 -0.71 -2.91 116.57 117.14 3fga h LYS 35 Ca 0.43 -0.42 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 3fga h LYS 35 Cb 0.49 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.90 3fga h LYS 35 CO -0.20 1.16 -0.11 -0.07 -0.57 0.00 0.00 179.45 179.67 3fga h LEU 36 N 0.11 -0.36 -0.58 2.94 3.38 -0.95 -1.59 115.31 118.26 3fga h LEU 36 Ca -0.11 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.06 3fga h LEU 36 Cb 1.84 0.20 -0.11 0.00 0.09 0.00 0.00 40.66 42.67 3fga h LEU 36 CO 0.19 -0.14 -0.19 0.03 0.09 0.00 0.00 178.44 178.42 3fga h ARG 37 N -0.09 -0.04 0.00 1.13 -0.00 -1.38 -1.10 114.38 112.91 3fga h ARG 37 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.60 3fga h ARG 37 Cb 0.26 0.01 0.00 0.00 0.00 0.00 0.00 29.97 30.24 3fga h ARG 37 CO -0.27 -0.03 0.00 1.96 0.00 0.00 0.00 179.97 181.64 3fga h GLN 38 N -0.04 0.00 -0.01 0.04 7.50 -1.22 -1.18 115.11 120.19 3fga h GLN 38 Ca 0.27 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.42 3fga h GLN 38 Cb 0.46 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.99 3fga h GLN 38 CO -0.62 0.00 0.00 0.00 -1.50 0.00 0.00 178.83 176.71 3fga s VAL 41 N -3.00 3.93 0.26 0.00 -7.23 -1.20 -4.91 120.40 108.24 3fga s VAL 41 Ca 0.12 0.99 -0.29 0.00 -1.81 0.00 0.00 61.98 60.99 3fga s VAL 41 Cb 0.18 -4.11 -0.09 0.00 0.56 0.00 0.00 36.38 32.92 3fga s VAL 41 CO 0.63 -0.61 0.93 -0.76 -0.31 0.00 0.00 175.10 174.98 3fga s LEU 42 N 5.18 4.57 0.13 1.32 2.01 -1.26 -5.06 118.68 125.57 3fga s LEU 42 Ca 0.62 1.90 0.10 0.00 0.01 0.00 0.00 54.13 56.76 3fga s LEU 42 Cb -0.16 -3.69 -0.04 0.00 0.01 0.00 0.00 46.19 42.30 3fga s LEU 42 CO 0.30 0.10 -0.22 -0.36 1.01 0.00 0.00 176.35 177.18 3fga s PHE 43 N -1.29 2.41 -0.28 0.29 0.40 -1.26 -5.11 117.98 113.14 3fga s PHE 43 Ca 0.43 -0.32 -0.19 0.00 -0.60 0.00 0.00 56.93 56.24 3fga s PHE 43 Cb -0.24 -1.28 -0.02 0.00 0.51 0.00 0.00 43.02 42.00 3fga s PHE 43 CO 0.29 0.38 0.57 0.34 0.70 0.00 0.00 175.22 177.51 3fga s ASP 44 N -2.19 6.47 -0.02 1.36 -1.08 -1.26 -4.91 116.67 115.04 3fga s ASP 44 Ca 0.17 0.48 0.13 0.00 -0.52 0.00 0.00 52.55 52.81 3fga s ASP 44 Cb -0.10 -2.31 -0.20 0.00 -1.46 0.00 0.00 42.92 38.86 3fga s ASP 44 CO 0.08 -0.38 0.28 0.49 0.52 0.00 0.00 175.17 176.17 3fga n PHE 45 N 5.70 0.00 0.00 -5.34 3.01 -1.26 -4.65 117.46 114.92 3fga n PHE 45 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 3fga n PHE 45 Cb 0.49 -0.29 0.00 0.00 -0.01 0.00 0.00 39.48 39.67 3fga n PHE 45 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 3fga n VAL 46 N -1.94 0.00 -0.03 -4.37 0.31 -1.26 -4.21 118.33 106.83 3fga n VAL 46 Ca -0.02 0.33 -0.10 0.00 -0.01 0.00 0.00 64.34 64.54 3fga n VAL 46 Cb 0.33 -1.25 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 3fga n VAL 46 CO 0.00 0.00 0.00 -1.28 -1.32 0.00 0.00 176.83 174.23 3fga h SER 47 N 0.00 -1.06 -3.99 4.52 0.87 -2.00 -3.28 113.55 108.59 3fga h SER 47 Ca 0.00 0.16 -0.69 0.00 -1.23 0.00 0.00 61.79 60.03 3fga h SER 47 Cb 0.00 0.46 -0.36 0.00 -0.44 0.00 0.00 62.40 62.06 3fga h SER 47 CO 0.00 -0.36 -0.46 -0.62 -0.53 0.00 0.00 176.83 174.86 3fga s ASP 48 N -4.95 5.09 0.12 6.23 -1.08 -1.26 -4.96 116.67 115.86 3fga s ASP 48 Ca -0.15 -2.65 0.27 0.00 -0.52 0.00 0.00 52.55 49.50 3fga s ASP 48 Cb 0.11 -1.81 0.99 0.00 -1.46 0.00 0.00 42.92 40.75 3fga s ASP 48 CO 0.66 -0.39 1.83 -0.81 0.52 0.00 0.00 175.17 176.98 3fga n PRO 49 N 3.73 0.14 0.00 4.34 -0.05 -1.24 -3.25 135.00 138.67 3fga n PRO 49 Ca 0.05 0.14 0.08 0.00 -0.05 0.00 0.00 63.50 63.72 3fga n PRO 49 Cb 0.38 -1.67 -0.00 0.00 -0.05 0.00 0.00 33.50 32.15 3fga n PRO 49 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 175.50 176.73 3fga n LEU 50 N -1.92 1.64 -4.82 1.53 4.77 -1.26 -5.01 117.00 111.93 3fga n LEU 50 Ca 0.06 -0.76 -0.33 0.00 -0.03 0.00 0.00 56.01 54.95 3fga n LEU 50 Cb 0.38 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.43 3fga n LEU 50 CO 0.28 0.31 0.69 -0.94 -1.33 0.00 0.00 177.39 176.40 3fga s SER 51 N -1.95 6.49 -1.91 -1.43 1.04 -1.20 -4.40 113.70 110.34 3fga s SER 51 Ca 0.14 1.73 0.00 0.00 0.48 0.00 0.00 55.95 58.30 3fga s SER 51 Cb 0.13 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.72 3fga s SER 51 CO 0.42 -0.67 0.00 0.47 0.98 0.00 0.00 173.24 174.44 3fga n ASP 52 N -1.26 -5.41 -0.25 7.02 10.43 -1.26 -4.87 116.55 120.94 3fga n ASP 52 Ca 0.08 0.27 0.02 0.00 2.57 0.00 0.00 54.79 57.72 3fga n ASP 52 Cb 0.53 -4.67 0.10 0.00 1.84 0.00 0.00 41.12 38.92 3fga n ASP 52 CO 0.00 0.00 0.00 -0.07 -1.07 0.00 0.00 177.20 176.06 3fga h LEU 53 N 0.00 -0.62 -0.25 0.64 -0.00 -1.95 -0.14 115.31 112.99 3fga h LEU 53 Ca -0.43 0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.66 3fga h LEU 53 Cb 1.32 0.43 -0.01 0.00 -0.00 0.00 0.00 40.66 42.40 3fga h LEU 53 CO 0.58 -0.23 0.16 0.11 -0.00 0.00 0.00 178.44 179.05 3fga h LYS 54 N 0.02 0.34 0.00 1.13 1.57 -1.96 -2.49 116.57 115.17 3fga h LYS 54 Ca 0.36 -0.03 -0.16 0.00 -1.87 0.00 0.00 60.65 58.95 3fga h LYS 54 Cb 0.57 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.78 3fga h LYS 54 CO -0.73 0.25 -0.77 -1.49 -0.57 0.00 0.00 179.45 176.13 3fga h TRP 55 N 0.33 0.00 -0.27 -1.35 4.06 -1.71 -2.02 115.95 114.98 3fga h TRP 55 Ca 0.09 0.00 0.05 0.00 2.06 0.00 0.00 58.89 61.09 3fga h TRP 55 Cb -0.01 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 28.10 3fga h TRP 55 CO -0.05 0.77 -0.01 0.87 -3.56 0.00 0.00 178.44 176.46 3fga h LYS 56 N 0.00 0.07 -0.64 0.49 1.57 -0.95 -0.88 116.57 116.24 3fga h LYS 56 Ca -0.01 -0.00 0.02 0.00 -1.87 0.00 0.00 60.65 58.79 3fga h LYS 56 Cb 1.38 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 33.63 3fga h LYS 56 CO 0.10 0.05 0.41 1.49 -0.57 0.00 0.00 179.45 180.92 3fga h GLU 57 N 0.07 0.79 -0.25 3.15 4.57 -1.13 0.29 114.58 122.06 3fga h GLU 57 Ca 0.13 -0.05 0.06 0.00 -1.18 0.00 0.00 59.36 58.32 3fga h GLU 57 Cb 0.17 -0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3fga h GLU 57 CO -0.23 0.52 -0.11 0.28 -1.18 0.00 0.00 179.01 178.30 3fga h VAL 58 N 0.81 0.65 -0.00 0.32 2.07 -0.97 0.42 116.25 119.54 3fga h VAL 58 Ca 0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 3fga h VAL 58 Cb -0.03 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3fga h VAL 58 CO -0.08 0.00 0.00 0.50 0.02 0.00 0.00 177.57 178.01 3fga h LYS 59 N -0.07 0.01 -0.68 1.57 3.64 -0.76 0.59 116.57 120.86 3fga h LYS 59 Ca 0.13 -0.00 0.14 0.00 -1.27 0.00 0.00 60.65 59.65 3fga h LYS 59 Cb 0.27 -0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 31.98 3fga h LYS 59 CO -0.30 0.05 0.16 -0.09 -2.27 0.00 0.00 179.45 176.99 3fga h ARG 60 N -0.04 0.26 -0.47 1.90 2.43 0.38 0.50 114.38 119.34 3fga h ARG 60 Ca 0.00 -0.02 -0.12 0.00 -0.81 0.00 0.00 59.98 59.03 3fga h ARG 60 Cb 0.04 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3fga h ARG 60 CO -0.00 0.17 -0.19 0.00 -1.51 0.00 0.00 179.97 178.45 3fga h ALA 61 N 1.56 0.78 -0.72 2.80 0.00 0.00 -2.25 119.26 121.44 3fga h ALA 61 Ca 0.37 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 3fga h ALA 61 Cb 0.60 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3fga h ALA 61 CO -0.47 0.66 0.36 0.00 0.00 0.00 0.00 179.25 179.81 3fga h ALA 62 N 0.97 0.92 0.00 0.00 0.00 0.13 -1.30 119.26 119.97 3fga h ALA 62 Ca 0.11 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3fga h ALA 62 Cb 0.74 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3fga h ALA 62 CO 0.06 0.46 -1.06 1.37 0.00 0.00 0.00 179.25 180.09 3fga h LEU 63 N 0.99 0.00 0.07 0.00 -0.00 -1.39 -3.20 115.31 111.78 3fga h LEU 63 Ca 0.25 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 58.14 3fga h LEU 63 Cb 0.09 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 40.73 3fga h LEU 63 CO -0.03 0.12 -0.12 -1.28 -0.00 0.00 0.00 178.44 177.12 3fga h SER 64 N 0.00 -0.34 0.47 0.17 0.87 -1.01 -1.58 113.55 112.13 3fga h SER 64 Ca -0.03 0.04 -0.05 0.00 -1.23 0.00 0.00 61.79 60.52 3fga h SER 64 Cb 1.12 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 63.20 3fga h SER 64 CO 0.01 -0.18 -0.23 1.05 -0.53 0.00 0.00 176.83 176.95 3fga h GLU 65 N -0.24 0.00 0.00 2.24 4.11 -1.37 -2.55 114.58 116.77 3fga h GLU 65 Ca 0.02 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.33 3fga h GLU 65 Cb 0.26 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 3fga h GLU 65 CO -0.07 0.23 -0.58 0.52 0.07 0.00 0.00 179.01 179.17 3fga h MET 66 N 0.00 0.00 0.31 1.06 2.86 -1.41 0.49 114.93 118.24 3fga h MET 66 Ca -0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3fga h MET 66 Cb 0.52 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.19 3fga h MET 66 CO 0.03 0.58 -0.15 0.28 1.06 0.00 0.00 176.91 178.72 3fga h VAL 67 N 0.00 0.00 -0.97 -2.22 2.07 -0.90 -1.87 116.25 112.36 3fga h VAL 67 Ca -0.01 -0.12 0.30 0.00 0.82 0.00 0.00 66.70 67.70 3fga h VAL 67 Cb 1.09 0.00 -0.15 0.00 -1.52 0.00 0.00 31.29 30.71 3fga h VAL 67 CO 0.08 0.00 0.48 -0.33 0.02 0.00 0.00 177.57 177.82 3fga h GLU 68 N -0.53 0.29 0.67 1.57 5.08 -1.46 0.49 114.58 120.70 3fga h GLU 68 Ca -0.04 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3fga h GLU 68 Cb 0.31 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3fga h GLU 68 CO 0.07 0.19 -0.43 -0.92 -1.00 0.00 0.00 179.01 176.91 3fga h TYR 69 N 0.29 -1.17 0.00 4.33 5.03 -0.01 -2.98 116.97 122.47 3fga h TYR 69 Ca 0.69 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.96 3fga h TYR 69 Cb 1.53 0.42 -0.00 0.00 1.55 0.00 0.00 36.73 40.23 3fga h TYR 69 CO -0.08 -0.64 -0.15 0.82 -1.32 0.00 0.00 178.16 176.80 3fga h ILE 70 N -1.04 0.32 0.18 1.81 2.04 -0.33 -3.10 117.51 117.39 3fga h ILE 70 Ca -0.09 -1.04 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 3fga h ILE 70 Cb 0.84 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.73 3fga h ILE 70 CO 0.08 0.15 -0.09 0.74 0.00 0.00 0.00 178.15 179.03 3fga h THR 71 N 0.00 0.00 -0.01 -0.27 2.02 -0.03 -3.39 112.91 111.23 3fga h THR 71 Ca -0.00 -0.09 -0.20 0.00 0.77 0.00 0.00 66.41 66.90 3fga h THR 71 Cb 0.80 0.00 0.02 0.00 -1.74 0.00 0.00 68.15 67.22 3fga h THR 71 CO 0.02 0.00 -0.75 0.45 0.37 0.00 0.00 175.52 175.60 3fga h HIS 72 N -0.32 0.78 -3.63 3.16 3.86 -1.66 -3.46 115.15 113.88 3fga h HIS 72 Ca -0.02 -0.42 -0.44 0.00 -1.16 0.00 0.00 60.37 58.33 3fga h HIS 72 Cb 0.18 -0.09 0.18 0.00 1.06 0.00 0.00 27.41 28.74 3fga h HIS 72 CO 0.11 1.24 0.12 -0.80 0.86 0.00 0.00 177.93 179.47 3fga s ASN 73 N -6.94 1.83 0.07 2.45 -0.87 -1.17 -5.09 114.94 105.22 3fga s ASN 73 Ca -0.12 1.19 -0.07 0.00 -1.57 0.00 0.00 52.86 52.29 3fga s ASN 73 Cb 0.05 -1.85 -0.01 0.00 -0.02 0.00 0.00 41.25 39.42 3fga s ASN 73 CO 0.86 -3.63 0.13 -0.60 -2.57 0.00 0.00 177.10 171.30 3fga s ARG 74 N -4.87 0.77 -0.96 -0.60 3.52 -1.26 -4.87 118.95 110.67 3fga s ARG 74 Ca 0.67 -0.99 -0.04 0.00 -0.13 0.00 0.00 55.73 55.24 3fga s ARG 74 Cb -0.20 0.30 0.00 0.00 -1.56 0.00 0.00 34.95 33.50 3fga s ARG 74 CO 0.59 -0.22 0.59 0.09 -0.81 0.00 0.00 175.30 175.54 3fga n ASN 75 N 0.07 -4.73 -0.01 -2.12 3.02 -1.26 -4.95 115.26 105.29 3fga n ASN 75 Ca -0.15 -0.27 0.03 0.00 -0.03 0.00 0.00 54.58 54.16 3fga n ASN 75 Cb 0.62 -3.46 -0.06 0.00 -0.61 0.00 0.00 39.78 36.27 3fga n ASN 75 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 3fga n VAL 76 N -4.11 0.08 -0.99 2.41 0.31 -1.26 -4.74 118.33 110.03 3fga n VAL 76 Ca -0.04 -0.21 -0.42 0.00 -0.01 0.00 0.00 64.34 63.66 3fga n VAL 76 Cb 0.56 0.14 -0.07 0.00 -0.91 0.00 0.00 33.84 33.57 3fga n VAL 76 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 3fga n ILE 77 N -1.86 1.48 -2.06 2.52 -0.00 -1.26 -4.91 119.36 113.26 3fga n ILE 77 Ca -0.03 -1.26 -0.30 0.00 -0.00 0.00 0.00 62.75 61.16 3fga n ILE 77 Cb 0.30 -2.24 0.01 0.00 -0.00 0.00 0.00 39.64 37.70 3fga n ILE 77 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 3fga s THR 78 N 5.30 4.75 0.33 1.39 -4.23 -1.26 -4.93 115.64 116.98 3fga s THR 78 Ca 0.58 0.75 0.10 0.00 -1.18 0.00 0.00 61.69 61.93 3fga s THR 78 Cb 0.14 -3.86 0.32 0.00 1.34 0.00 0.00 72.50 70.44 3fga s THR 78 CO 0.15 -1.06 1.75 -0.33 -0.54 0.00 0.00 174.62 174.59 3fga h GLU 79 N -0.14 0.59 0.00 3.99 5.08 -2.01 -2.60 114.58 119.49 3fga h GLU 79 Ca -0.45 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 57.84 3fga h GLU 79 Cb 1.19 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 3fga h GLU 79 CO 0.62 0.39 -0.15 -1.00 -1.00 0.00 0.00 179.01 177.87 3fga h PRO 80 N 0.61 0.00 0.00 2.33 0.13 -1.97 -3.26 132.00 129.84 3fga h PRO 80 Ca 0.62 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.75 3fga h PRO 80 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3fga h PRO 80 CO -0.42 0.15 0.00 0.44 -0.23 0.00 0.00 178.00 177.95 3fga n ILE 81 N -3.19 0.63 0.01 -3.56 -6.64 -0.98 -4.06 119.36 101.57 3fga n ILE 81 Ca 0.02 -0.26 -0.01 0.00 -1.77 0.00 0.00 62.75 60.73 3fga n ILE 81 Cb 0.51 -0.63 -0.01 0.00 -1.44 0.00 0.00 39.64 38.08 3fga n ILE 81 CO 0.00 0.00 0.00 1.88 -1.77 0.00 0.00 176.55 176.66 3fga h TYR 82 N 0.00 -0.08 -0.90 4.28 -1.99 -1.67 -0.95 116.97 115.66 3fga h TYR 82 Ca 0.00 0.00 0.24 0.00 2.00 0.00 0.00 58.73 60.97 3fga h TYR 82 Cb 0.72 0.03 -0.05 0.00 2.00 0.00 0.00 36.73 39.43 3fga h TYR 82 CO 0.00 -0.03 0.62 -1.00 -0.00 0.00 0.00 178.16 177.75 3fga h PRO 83 N -0.05 0.16 -0.11 4.88 0.13 -1.82 -0.00 132.00 135.19 3fga h PRO 83 Ca -0.00 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 65.02 3fga h PRO 83 Cb 0.05 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.13 3fga h PRO 83 CO -0.01 0.11 -0.38 1.49 -0.23 0.00 0.00 178.00 178.98 3fga h GLU 84 N 0.17 0.23 0.02 0.86 4.57 -1.61 -1.83 114.58 116.99 3fga h GLU 84 Ca 0.45 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.52 3fga h GLU 84 Cb 1.50 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.08 3fga h GLU 84 CO -0.08 0.59 -0.01 0.28 -1.18 0.00 0.00 179.01 178.60 3fga h VAL 85 N 0.20 1.38 -0.81 0.32 2.07 0.37 -2.71 116.25 117.08 3fga h VAL 85 Ca 0.02 -1.86 0.08 0.00 0.82 0.00 0.00 66.70 65.76 3fga h VAL 85 Cb 0.77 2.53 -0.07 0.00 -1.52 0.00 0.00 31.29 33.01 3fga h VAL 85 CO 0.06 0.44 0.47 0.58 0.02 0.00 0.00 177.57 179.14 3fga h VAL 86 N -0.92 0.96 -0.67 2.57 2.07 -1.43 -0.17 116.25 118.67 3fga h VAL 86 Ca -0.00 -0.29 -0.08 0.00 0.82 0.00 0.00 66.70 67.15 3fga h VAL 86 Cb 0.74 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 3fga h VAL 86 CO 0.00 0.15 0.09 -0.74 0.02 0.00 0.00 177.57 177.09 3fga h HIS 87 N 0.83 1.19 -0.81 1.57 6.17 -1.46 -1.63 115.15 121.02 3fga h HIS 87 Ca 0.37 -0.17 -0.01 0.00 0.71 0.00 0.00 60.37 61.27 3fga h HIS 87 Cb 0.27 -0.32 -0.04 0.00 2.52 0.00 0.00 27.41 29.84 3fga h HIS 87 CO -0.05 1.00 0.47 1.98 0.71 0.00 0.00 177.93 182.04 3fga h MET 88 N 1.04 1.11 0.69 5.26 4.05 -0.85 -2.01 114.93 124.21 3fga h MET 88 Ca 0.20 -0.11 -0.03 0.00 -0.28 0.00 0.00 59.70 59.47 3fga h MET 88 Cb 0.47 -0.23 0.01 0.00 -0.80 0.00 0.00 31.60 31.05 3fga h MET 88 CO 0.02 0.79 -0.33 0.35 0.23 0.00 0.00 176.91 177.97 3fga h PHE 89 N 1.11 -0.87 -0.40 1.39 3.57 -0.93 -3.03 116.94 117.78 3fga h PHE 89 Ca 0.29 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.84 3fga h PHE 89 Cb -0.02 0.29 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 3fga h PHE 89 CO -0.00 -0.52 0.02 0.00 -2.23 0.00 0.00 178.31 175.59 3fga h ALA 90 N -0.77 0.39 0.00 2.41 0.00 -1.17 0.46 119.26 120.58 3fga h ALA 90 Ca -0.10 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3fga h ALA 90 Cb 0.74 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 3fga h ALA 90 CO 0.16 -0.37 -0.15 0.28 0.00 0.00 0.00 179.25 179.16 3fga h VAL 91 N 0.14 0.99 0.14 0.00 2.07 -1.45 -0.75 116.25 117.39 3fga h VAL 91 Ca 0.20 -0.54 -0.36 0.00 0.82 0.00 0.00 66.70 66.83 3fga h VAL 91 Cb 0.27 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.33 3fga h VAL 91 CO -0.31 0.15 -1.88 0.78 0.02 0.00 0.00 177.57 176.33 3fga h ASN 92 N 0.00 0.48 0.12 0.57 2.35 -1.10 -3.42 115.58 114.57 3fga h ASN 92 Ca -0.00 -0.94 -0.34 0.00 -0.55 0.00 0.00 56.30 54.47 3fga h ASN 92 Cb 0.29 -0.16 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3fga h ASN 92 CO 0.02 1.82 -1.85 0.24 -1.65 0.00 0.00 177.43 176.01 3fga h MET 93 N 0.05 0.24 -5.38 0.81 2.86 -0.07 -3.44 114.93 110.00 3fga h MET 93 Ca -0.39 -0.42 -0.69 0.00 -2.06 0.00 0.00 59.70 56.13 3fga h MET 93 Cb 2.03 0.16 -0.13 0.00 0.06 0.00 0.00 31.60 33.72 3fga h MET 93 CO 0.11 1.20 1.67 -0.06 1.06 0.00 0.00 176.91 180.89 3fga s PHE 94 N -2.53 3.06 0.41 -0.22 2.99 -0.29 -4.94 117.98 116.45 3fga s PHE 94 Ca -0.22 -1.72 0.07 0.00 0.00 0.00 0.00 56.93 55.06 3fga s PHE 94 Cb 0.06 -4.54 -0.07 0.00 0.00 0.00 0.00 43.02 38.48 3fga s PHE 94 CO 0.75 -1.63 0.09 -0.98 -0.00 0.00 0.00 175.22 173.45 3fga s ARG 95 N 3.14 2.09 0.07 0.44 1.04 -1.26 -4.89 118.95 119.58 3fga s ARG 95 Ca 0.47 -1.97 -0.30 0.00 -1.04 0.00 0.00 55.73 52.89 3fga s ARG 95 Cb 0.00 -1.81 -0.05 0.00 -2.04 0.00 0.00 34.95 31.05 3fga s ARG 95 CO 0.01 -0.07 0.99 0.99 -0.04 0.00 0.00 175.30 177.18 3fga s THR 96 N -2.65 4.57 0.42 4.99 2.01 -1.26 -4.99 115.64 118.72 3fga s THR 96 Ca 0.38 2.00 -0.25 0.00 0.31 0.00 0.00 61.69 64.14 3fga s THR 96 Cb 0.07 -4.28 -0.08 0.00 0.01 0.00 0.00 72.50 68.21 3fga s THR 96 CO 0.20 0.25 1.19 -0.76 -0.69 0.00 0.00 174.62 174.81 3fga s LEU 97 N 0.39 4.15 0.93 4.42 1.02 -1.26 -5.03 118.68 123.30 3fga s LEU 97 Ca 0.50 2.40 -0.13 0.00 0.02 0.00 0.00 54.13 56.91 3fga s LEU 97 Cb -0.23 -4.05 0.15 0.00 0.02 0.00 0.00 46.19 42.07 3fga s LEU 97 CO 0.29 -0.78 1.17 -2.16 0.02 0.00 0.00 176.35 174.90 3fga s PRO 98 N -2.38 1.01 0.54 1.29 0.04 -1.26 -4.97 135.00 129.27 3fga s PRO 98 Ca 0.59 0.12 -0.19 0.00 0.04 0.00 0.00 61.00 61.55 3fga s PRO 98 Cb -0.32 -1.84 -0.08 0.00 0.04 0.00 0.00 34.50 32.30 3fga s PRO 98 CO 0.40 -2.25 0.73 -2.30 0.04 0.00 0.00 177.00 173.61 3fga n PRO 99 N -3.77 0.76 -1.62 0.56 -0.02 -1.26 -4.89 135.00 124.75 3fga n PRO 99 Ca 0.09 0.29 -0.46 0.00 -2.02 0.00 0.00 63.50 61.40 3fga n PRO 99 Cb 0.60 -1.87 -0.02 0.00 -0.02 0.00 0.00 33.50 32.18 3fga n PRO 99 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fga n SER 100 N 0.19 1.92 -0.36 2.55 2.88 -1.26 -4.88 113.62 114.67 3fga n SER 100 Ca 0.12 1.16 0.13 0.00 -1.33 0.00 0.00 58.87 58.95 3fga n SER 100 Cb 0.45 -1.33 0.40 0.00 -0.75 0.00 0.00 64.21 62.99 3fga n SER 100 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3fga n SER 101 N 1.68 1.29 -4.53 -3.46 7.64 -1.26 -4.87 113.62 110.10 3fga n SER 101 Ca 0.11 -1.16 -0.33 0.00 1.01 0.00 0.00 58.87 58.50 3fga n SER 101 Cb 0.30 0.10 -0.12 0.00 -1.01 0.00 0.00 64.21 63.48 3fga n SER 101 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 3fga s ASN 102 N -2.31 4.39 0.48 6.43 0.01 -1.26 -5.00 114.94 117.67 3fga s ASN 102 Ca 0.29 -0.10 -0.23 0.00 -0.71 0.00 0.00 52.86 52.10 3fga s ASN 102 Cb 0.20 -1.09 -0.08 0.00 0.41 0.00 0.00 41.25 40.69 3fga s ASN 102 CO 0.45 0.34 1.17 -0.81 -1.51 0.00 0.00 177.10 176.75 3fga n PRO 103 N 2.36 1.57 -4.24 -0.60 -0.04 -1.26 -5.04 135.00 127.75 3fga n PRO 103 Ca -0.18 0.57 -0.23 0.00 -0.04 0.00 0.00 63.50 63.62 3fga n PRO 103 Cb 0.53 -2.30 -0.07 0.00 -0.04 0.00 0.00 33.50 31.62 3fga n PRO 103 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 3fga s THR 104 N -1.29 3.72 0.00 0.52 -4.23 -1.26 -4.96 115.64 108.14 3fga s THR 104 Ca 0.66 -1.74 0.00 0.00 -1.18 0.00 0.00 61.69 59.43 3fga s THR 104 Cb -0.48 -2.98 0.00 0.00 1.34 0.00 0.00 72.50 70.38 3fga s THR 104 CO 0.54 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.89 3fga n GLY 105 N -0.87 3.26 0.27 3.99 0.00 -1.26 -4.92 105.19 105.67 3fga n GLY 105 Ca -0.07 -1.77 0.16 0.00 0.00 0.00 0.00 46.02 44.34 3fga n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3fga h ALA 106 N 0.00 1.05 -0.14 4.61 0.00 -2.06 -2.86 119.26 119.86 3fga h ALA 106 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3fga h ALA 106 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3fga h ALA 106 CO 0.00 0.07 0.00 -0.85 0.00 0.00 0.00 179.25 178.47 3fga n GLU 107 N -3.22 1.81 -4.59 0.00 0.00 -1.26 -4.87 120.64 108.50 3fga n GLU 107 Ca -0.00 -1.20 -0.33 0.00 0.00 0.00 0.00 57.16 55.62 3fga n GLU 107 Cb 0.28 -1.43 -0.13 0.00 0.00 0.00 0.00 31.44 30.17 3fga n GLU 107 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 3fga s PHE 108 N -1.83 2.92 -0.35 -1.84 0.40 -1.08 -5.10 117.98 111.12 3fga s PHE 108 Ca 0.34 -0.34 -0.14 0.00 -0.60 0.00 0.00 56.93 56.19 3fga s PHE 108 Cb 0.19 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.85 3fga s PHE 108 CO 0.29 -0.01 0.28 0.34 0.70 0.00 0.00 175.22 176.82 3fga s ASP 109 N 0.08 6.10 0.53 1.36 2.15 -1.26 -4.87 116.67 120.76 3fga s ASP 109 Ca -0.03 -0.41 0.28 0.00 0.43 0.00 0.00 52.55 52.83 3fga s ASP 109 Cb -0.14 -2.16 1.51 0.00 -0.30 0.00 0.00 42.92 41.83 3fga s ASP 109 CO 0.03 -0.29 1.83 1.55 -0.17 0.00 0.00 175.17 178.12 3fga h PRO 110 N 8.50 0.00 -0.03 4.34 0.13 -1.96 0.29 132.00 143.27 3fga h PRO 110 Ca -0.30 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 3fga h PRO 110 Cb 1.15 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 3fga h PRO 110 CO 0.66 0.00 -0.28 0.93 -0.23 0.00 0.00 178.00 179.08 3fga h GLU 111 N 0.00 0.05 -0.49 0.86 4.39 -1.98 -3.01 114.58 114.40 3fga h GLU 111 Ca 0.00 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3fga h GLU 111 Cb 0.40 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 3fga h GLU 111 CO 0.00 0.32 0.00 0.39 -1.16 0.00 0.00 179.01 178.56 3fga n GLU 112 N -4.19 2.26 -2.08 2.33 1.02 0.10 -4.95 120.64 115.13 3fga n GLU 112 Ca -0.02 -1.94 -0.42 0.00 -0.02 0.00 0.00 57.16 54.76 3fga n GLU 112 Cb 0.34 -1.44 -0.03 0.00 -0.02 0.00 0.00 31.44 30.29 3fga n GLU 112 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3fga s ASP 113 N -1.14 6.73 0.21 1.62 1.01 -1.14 -4.98 116.67 118.99 3fga s ASP 113 Ca 0.37 2.45 -0.32 0.00 0.71 0.00 0.00 52.55 55.76 3fga s ASP 113 Cb 0.20 -2.59 -0.13 0.00 1.01 0.00 0.00 42.92 41.41 3fga s ASP 113 CO 0.26 -0.71 1.64 -1.84 0.21 0.00 0.00 175.17 174.73 3fga n GLU 114 N 3.84 2.56 -2.03 8.23 0.28 -1.26 -4.90 120.64 127.36 3fga n GLU 114 Ca 0.12 0.92 -0.43 0.00 -0.16 0.00 0.00 57.16 57.61 3fga n GLU 114 Cb 0.41 -2.72 -0.03 0.00 1.43 0.00 0.00 31.44 30.53 3fga n GLU 114 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 3fga s PRO 115 N 0.70 3.60 -0.32 3.44 0.04 -1.26 -4.95 135.00 136.25 3fga s PRO 115 Ca 0.74 1.62 -0.07 0.00 0.04 0.00 0.00 61.00 63.32 3fga s PRO 115 Cb -0.56 -4.12 0.02 0.00 0.04 0.00 0.00 34.50 29.89 3fga s PRO 115 CO 0.38 -1.53 0.11 -0.08 0.04 0.00 0.00 177.00 175.91 3fga s THR 116 N 5.94 4.04 0.11 1.26 -1.32 -1.26 -5.08 115.64 119.32 3fga s THR 116 Ca 0.76 -0.81 -0.06 0.00 -1.21 0.00 0.00 61.69 60.37 3fga s THR 116 Cb -0.25 -3.16 -0.06 0.00 -1.51 0.00 0.00 72.50 67.53 3fga s THR 116 CO 0.32 -0.03 0.37 -0.76 -2.21 0.00 0.00 174.62 172.31 3fga s LEU 117 N 1.49 4.30 -0.31 9.08 1.43 -1.26 -4.06 118.68 129.36 3fga s LEU 117 Ca 0.02 0.65 -0.29 0.00 -1.03 0.00 0.00 54.13 53.47 3fga s LEU 117 Cb -0.18 -3.14 -0.01 0.00 0.03 0.00 0.00 46.19 42.89 3fga s LEU 117 CO 0.03 0.11 1.61 -0.70 0.23 0.00 0.00 176.35 177.64 3fga s GLU 118 N -2.33 3.60 0.42 1.70 2.56 -1.26 -4.89 118.70 118.50 3fga s GLU 118 Ca 0.37 1.39 0.29 0.00 0.00 0.00 0.00 54.97 57.03 3fga s GLU 118 Cb -0.13 -4.08 1.18 0.00 2.00 0.00 0.00 34.13 33.10 3fga s GLU 118 CO 0.22 -1.54 1.86 0.00 -0.56 0.00 0.00 175.26 175.24 3fga h ALA 119 N 11.37 1.00 -0.48 6.30 0.00 -1.95 -2.33 119.26 133.17 3fga h ALA 119 Ca -0.32 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 3fga h ALA 119 Cb 1.14 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 3fga h ALA 119 CO 1.03 0.00 0.02 0.00 0.00 0.00 0.00 179.25 180.30 3fga n ALA 120 N -1.95 3.68 0.02 0.00 0.00 -1.26 -4.57 120.51 116.43 3fga n ALA 120 Ca 0.01 -1.58 0.06 0.00 0.00 0.00 0.00 53.44 51.93 3fga n ALA 120 Cb 0.28 -1.11 0.46 0.00 0.00 0.00 0.00 19.45 19.08 3fga n ALA 120 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 3fga h TRP 121 N 3.15 0.44 -0.95 0.00 2.91 -1.83 -1.05 115.95 118.61 3fga h TRP 121 Ca 0.02 0.01 0.18 0.00 1.13 0.00 0.00 58.89 60.23 3fga h TRP 121 Cb 1.73 -0.15 -0.18 0.00 -0.51 0.00 0.00 29.16 30.06 3fga h TRP 121 CO 0.91 0.26 -0.27 -2.30 -1.03 0.00 0.00 178.44 176.01 3fga n PRO 122 N -4.48 -0.12 0.03 2.65 -0.02 -1.26 -1.34 135.00 130.46 3fga n PRO 122 Ca 0.03 1.49 -0.22 0.00 -2.02 0.00 0.00 63.50 62.78 3fga n PRO 122 Cb 0.11 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.24 3fga n PRO 122 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3fga h HIS 123 N 0.00 0.54 -0.59 6.00 3.86 -1.75 -3.40 115.15 119.81 3fga h HIS 123 Ca 0.43 -0.39 0.02 0.00 -1.16 0.00 0.00 60.37 59.27 3fga h HIS 123 Cb 0.67 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 29.08 3fga h HIS 123 CO -0.76 1.65 0.37 -0.07 0.86 0.00 0.00 177.93 179.98 3fga h LEU 124 N -0.10 0.61 -0.42 2.43 3.38 -1.02 -2.14 115.31 118.05 3fga h LEU 124 Ca -0.35 -0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.71 3fga h LEU 124 Cb 1.92 -0.14 -0.09 0.00 0.09 0.00 0.00 40.66 42.45 3fga h LEU 124 CO 0.10 0.43 -0.16 -0.61 0.09 0.00 0.00 178.44 178.29 3fga h GLN 125 N 0.74 -0.07 0.00 1.13 4.15 -1.44 -1.01 115.11 118.62 3fga h GLN 125 Ca 0.23 0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.55 3fga h GLN 125 Cb -0.02 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3fga h GLN 125 CO -0.08 -0.04 -0.49 -0.07 -1.93 0.00 0.00 178.83 176.22 3fga h LEU 126 N -0.07 0.00 -0.43 -2.39 3.38 -1.65 0.53 115.31 114.68 3fga h LEU 126 Ca 0.20 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.11 3fga h LEU 126 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3fga h LEU 126 CO -0.47 0.49 0.02 0.58 0.09 0.00 0.00 178.44 179.14 3fga h VAL 127 N 0.00 1.26 0.37 1.22 2.07 -1.04 -0.19 116.25 119.94 3fga h VAL 127 Ca -0.00 -1.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.50 3fga h VAL 127 Cb 0.95 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.78 3fga h VAL 127 CO 0.06 0.34 -0.18 1.88 0.02 0.00 0.00 177.57 179.70 3fga h TYR 128 N 0.59 -0.46 -0.92 1.57 0.99 -0.54 -0.90 116.97 117.31 3fga h TYR 128 Ca 0.12 -0.01 0.14 0.00 2.00 0.00 0.00 58.73 60.98 3fga h TYR 128 Cb 0.46 0.15 -0.07 0.00 1.00 0.00 0.00 36.73 38.27 3fga h TYR 128 CO 0.04 -0.18 0.59 0.93 -0.00 0.00 0.00 178.16 179.53 3fga h GLU 129 N -0.70 0.75 0.49 4.88 5.08 -0.00 -1.72 114.58 123.34 3fga h GLU 129 Ca -0.05 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 3fga h GLU 129 Cb 0.49 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.58 3fga h GLU 129 CO 0.08 0.49 -0.23 0.35 -1.00 0.00 0.00 179.01 178.70 3fga h PHE 130 N 0.77 -0.60 -0.08 4.33 3.57 -0.91 -2.87 116.94 121.14 3fga h PHE 130 Ca 0.46 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.97 3fga h PHE 130 Cb 0.66 0.20 -0.00 0.00 2.79 0.00 0.00 35.95 39.59 3fga h PHE 130 CO -0.00 -0.29 0.15 0.35 -2.23 0.00 0.00 178.31 176.29 3fga h PHE 131 N -1.06 0.00 -0.01 0.41 3.57 -0.87 0.23 116.94 119.21 3fga h PHE 131 Ca -0.07 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 3fga h PHE 131 Cb 0.58 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.32 3fga h PHE 131 CO 0.01 0.00 -0.10 -0.07 -2.23 0.00 0.00 178.31 175.93 3fga h LEU 132 N 0.00 0.10 -0.78 0.59 3.38 -1.32 -2.25 115.31 115.04 3fga h LEU 132 Ca 0.04 -0.73 -0.00 0.00 0.09 0.00 0.00 57.88 57.28 3fga h LEU 132 Cb 0.34 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.03 3fga h LEU 132 CO -0.00 0.82 0.48 0.03 0.09 0.00 0.00 178.44 179.86 3fga h ARG 133 N -0.61 1.05 -0.74 1.13 -0.00 -1.07 0.29 114.38 114.42 3fga h ARG 133 Ca -0.01 -0.08 0.17 0.00 -0.50 0.00 0.00 59.98 59.56 3fga h ARG 133 Cb 0.82 -0.22 -0.04 0.00 0.00 0.00 0.00 29.97 30.53 3fga h ARG 133 CO 0.02 0.72 0.51 0.35 0.00 0.00 0.00 179.97 181.57 3fga h PHE 134 N 1.06 0.31 0.19 3.04 3.57 -1.05 -2.06 116.94 122.00 3fga h PHE 134 Ca 0.28 0.01 -0.31 0.00 3.53 0.00 0.00 57.97 61.48 3fga h PHE 134 Cb -0.07 -0.10 0.02 0.00 2.79 0.00 0.00 35.95 38.60 3fga h PHE 134 CO -0.01 0.11 -1.48 -0.07 -2.23 0.00 0.00 178.31 174.62 3fga h LEU 135 N 0.26 0.63 0.00 0.59 3.38 -0.47 -3.37 115.31 116.33 3fga h LEU 135 Ca 0.37 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.42 3fga h LEU 135 Cb 1.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.60 3fga h LEU 135 CO -0.09 1.68 0.00 -0.62 0.09 0.00 0.00 178.44 179.51 3fga n GLU 136 N -3.77 0.47 -1.90 1.13 1.02 0.87 -4.85 120.64 113.62 3fga n GLU 136 Ca -0.21 0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.53 3fga n GLU 136 Cb 1.02 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.93 3fga n GLU 136 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3fga s SER 137 N -2.50 6.49 0.00 1.62 0.15 -0.82 -4.89 113.70 113.75 3fga s SER 137 Ca 0.30 2.89 0.25 0.00 0.70 0.00 0.00 55.95 60.08 3fga s SER 137 Cb 0.20 -2.65 1.12 0.00 -1.71 0.00 0.00 66.02 62.98 3fga s SER 137 CO 0.43 -0.78 1.82 -2.65 1.20 0.00 0.00 173.24 173.25 3fga n PRO 138 N 1.26 0.08 -0.18 5.44 -0.02 -1.26 -1.98 135.00 138.34 3fga n PRO 138 Ca 0.03 0.06 0.09 0.00 -2.02 0.00 0.00 63.50 61.67 3fga n PRO 138 Cb 0.39 -1.50 0.26 0.00 -0.02 0.00 0.00 33.50 32.63 3fga n PRO 138 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3fga n ASP 139 N -1.45 2.33 -4.69 2.55 8.00 -1.26 -4.92 116.55 117.10 3fga n ASP 139 Ca 0.07 -1.90 -0.42 0.00 0.71 0.00 0.00 54.79 53.25 3fga n ASP 139 Cb 0.27 -0.23 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 3fga n ASP 139 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3fga s PHE 140 N -1.54 3.55 -0.48 1.24 2.19 -0.84 -4.86 117.98 117.24 3fga s PHE 140 Ca 0.32 1.56 -0.11 0.00 0.33 0.00 0.00 56.93 59.04 3fga s PHE 140 Cb 0.17 -3.12 0.12 0.00 -1.31 0.00 0.00 43.02 38.88 3fga s PHE 140 CO 0.24 -0.14 0.37 -0.65 1.83 0.00 0.00 175.22 176.87 3fga s GLN 141 N 1.64 2.59 0.02 10.12 1.11 -1.26 -5.02 119.66 128.87 3fga s GLN 141 Ca 0.48 -1.73 -0.06 0.00 0.01 0.00 0.00 55.36 54.06 3fga s GLN 141 Cb -0.19 -3.99 -0.02 0.00 -1.01 0.00 0.00 33.01 27.80 3fga s GLN 141 CO 0.20 -1.20 1.09 -1.35 0.01 0.00 0.00 175.29 174.04 3fga h PRO 142 N 8.54 -0.07 0.00 2.91 0.11 -1.96 -1.69 132.00 139.85 3fga h PRO 142 Ca -0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.88 3fga h PRO 142 Cb 1.08 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.20 3fga h PRO 142 CO 0.89 -0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.90 3fga n ASN 143 N -3.15 0.00 -0.10 -2.05 6.94 -1.26 0.00 115.26 115.64 3fga n ASN 143 Ca -0.01 -0.41 -0.14 0.00 -0.02 0.00 0.00 54.58 54.01 3fga n ASN 143 Cb 0.06 0.00 -0.11 0.00 -2.36 0.00 0.00 39.78 37.37 3fga n ASN 143 CO 0.00 0.00 0.00 -0.38 -1.03 0.00 0.00 177.26 175.85 3fga n ILE 144 N -0.75 1.21 0.18 1.53 2.08 -0.97 -4.52 119.36 118.12 3fga n ILE 144 Ca 0.03 -0.52 0.05 0.00 0.56 0.00 0.00 62.75 62.88 3fga n ILE 144 Cb 0.01 -1.12 0.28 0.00 -0.75 0.00 0.00 39.64 38.06 3fga n ILE 144 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3fga h ALA 145 N 0.16 0.92 -0.01 -1.39 0.00 0.50 -3.33 119.26 116.12 3fga h ALA 145 Ca -0.47 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.07 3fga h ALA 145 Cb 1.80 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 3fga h ALA 145 CO -0.05 0.51 0.04 1.57 0.00 0.00 0.00 179.25 181.32 3fga h LYS 146 N 0.00 0.00 0.00 0.00 2.10 -1.21 0.36 116.57 117.82 3fga h LYS 146 Ca -0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3fga h LYS 146 Cb 1.00 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.33 3fga h LYS 146 CO 0.05 0.00 -0.09 0.87 -2.00 0.00 0.00 179.45 178.28 3fga h LYS 147 N 0.00 0.00 0.00 0.07 1.57 -1.86 -3.34 116.57 113.01 3fga h LYS 147 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 3fga h LYS 147 Cb 0.09 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 3fga h LYS 147 CO -0.00 0.09 -1.81 0.66 -0.57 0.00 0.00 179.45 177.82 3fga n TYR 148 N -4.11 0.00 -2.65 -1.35 4.01 0.12 -4.72 117.16 108.46 3fga n TYR 148 Ca -0.03 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 3fga n TYR 148 Cb 0.17 -0.54 -0.03 0.00 -0.31 0.00 0.00 39.34 38.64 3fga n TYR 148 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3fga s ILE 149 N -2.28 4.06 0.50 -0.72 1.01 -0.66 -4.79 121.20 118.31 3fga s ILE 149 Ca -0.19 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.83 3fga s ILE 149 Cb 0.05 -4.95 -0.02 0.00 0.01 0.00 0.00 42.46 37.56 3fga s ILE 149 CO 0.31 -1.81 0.10 1.51 0.00 0.00 0.00 174.94 175.05 3fga s ASP 150 N 4.40 4.22 0.30 3.58 -4.77 -1.26 -4.63 116.67 118.51 3fga s ASP 150 Ca 0.40 -1.49 0.06 0.00 -3.30 0.00 0.00 52.55 48.22 3fga s ASP 150 Cb -0.04 0.30 0.82 0.00 -1.09 0.00 0.00 42.92 42.91 3fga s ASP 150 CO -0.04 -0.82 1.69 1.56 0.70 0.00 0.00 175.17 178.26 3fga h GLN 151 N 1.29 0.37 -0.52 2.11 4.20 -1.93 -0.55 115.11 120.08 3fga h GLN 151 Ca -0.43 -0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.29 3fga h GLN 151 Cb 1.30 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.96 3fga h GLN 151 CO 0.71 0.25 0.30 -0.22 -0.67 0.00 0.00 178.83 179.20 3fga h LYS 152 N 0.38 0.58 -0.45 1.46 1.63 -1.95 0.39 116.57 118.60 3fga h LYS 152 Ca 0.60 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.34 3fga h LYS 152 Cb 1.21 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 32.69 3fga h LYS 152 CO -0.56 0.38 0.16 0.35 -3.45 0.00 0.00 179.45 176.33 3fga h PHE 153 N 0.59 0.71 -0.53 1.91 3.04 -1.46 -2.83 116.94 118.38 3fga h PHE 153 Ca 0.22 -0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.09 3fga h PHE 153 Cb 0.06 -0.21 -0.02 0.00 2.56 0.00 0.00 35.95 38.33 3fga h PHE 153 CO -0.07 0.63 0.29 0.28 -2.02 0.00 0.00 178.31 177.41 3fga h VAL 154 N 0.59 1.18 -0.77 1.41 2.07 -0.67 -1.50 116.25 118.56 3fga h VAL 154 Ca 0.15 -0.47 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3fga h VAL 154 Cb 0.24 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.50 3fga h VAL 154 CO -0.01 0.20 0.49 0.25 0.02 0.00 0.00 177.57 178.52 3fga h LEU 155 N 0.71 0.90 -0.68 2.57 5.85 -0.84 0.28 115.31 124.10 3fga h LEU 155 Ca 0.19 -0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.80 3fga h LEU 155 Cb 0.06 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 3fga h LEU 155 CO -0.03 0.67 -0.30 1.56 -0.34 0.00 0.00 178.44 180.00 3fga h GLN 156 N 1.04 0.00 -0.10 1.25 4.20 -1.27 -1.73 115.11 118.50 3fga h GLN 156 Ca 0.28 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.77 3fga h GLN 156 Cb -0.09 0.00 0.01 0.00 0.30 0.00 0.00 27.48 27.71 3fga h GLN 156 CO -0.06 0.30 -0.81 1.25 -0.67 0.00 0.00 178.83 178.84 3fga h LEU 157 N 0.00 0.88 -1.12 1.46 7.12 -0.48 -3.19 115.31 119.97 3fga h LEU 157 Ca -0.00 -0.67 -0.07 0.00 0.13 0.00 0.00 57.88 57.27 3fga h LEU 157 Cb 0.97 -0.26 -0.01 0.00 -0.53 0.00 0.00 40.66 40.82 3fga h LEU 157 CO 0.04 1.41 -0.16 0.25 -0.13 0.00 0.00 178.44 179.85 3fga h LEU 158 N 0.41 0.41 -1.28 2.25 5.85 -0.18 -2.34 115.31 120.44 3fga h LEU 158 Ca -0.07 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.51 3fga h LEU 158 Cb 1.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 3fga h LEU 158 CO 0.16 0.60 0.16 -0.08 -0.34 0.00 0.00 178.44 178.95 3fga h GLU 159 N 0.39 0.66 0.00 1.25 4.81 -1.33 -2.88 114.58 117.48 3fga h GLU 159 Ca 0.07 -0.10 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3fga h GLU 159 Cb 0.52 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.78 3fga h GLU 159 CO 0.03 0.56 0.00 -0.07 -0.73 0.00 0.00 179.01 178.81 3fga h LEU 160 N 0.65 0.00 -0.88 1.64 4.07 -1.41 -2.94 115.31 116.45 3fga h LEU 160 Ca 0.16 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.12 3fga h LEU 160 Cb 0.16 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.90 3fga h LEU 160 CO -0.01 0.00 0.00 0.49 -1.08 0.00 0.00 178.44 177.84 3fga n PHE 161 N -2.84 0.58 0.74 1.13 3.01 -1.09 -1.42 117.46 117.58 3fga n PHE 161 Ca -0.01 0.27 0.05 0.00 1.01 0.00 0.00 57.45 58.77 3fga n PHE 161 Cb 0.16 -0.94 0.16 0.00 -0.01 0.00 0.00 39.48 38.84 3fga n PHE 161 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 3fga n ASP 162 N -2.07 2.13 -4.77 4.37 4.64 -1.11 -3.13 116.55 116.61 3fga n ASP 162 Ca 0.00 -2.09 -0.40 0.00 -1.38 0.00 0.00 54.79 50.92 3fga n ASP 162 Cb 0.10 -0.31 0.01 0.00 -1.04 0.00 0.00 41.12 39.88 3fga n ASP 162 CO 0.00 0.00 0.00 -0.55 -0.82 0.00 0.00 177.20 175.83 3fga s SER 163 N -0.86 5.95 0.30 1.67 0.15 -0.50 -4.58 113.70 115.82 3fga s SER 163 Ca 0.23 2.85 0.14 0.00 0.70 0.00 0.00 55.95 59.88 3fga s SER 163 Cb 0.14 -2.65 0.41 0.00 -1.71 0.00 0.00 66.02 62.21 3fga s SER 163 CO 0.14 -1.12 1.62 -0.33 1.20 0.00 0.00 173.24 174.74 3fga h GLU 164 N 2.36 0.00 -6.40 5.44 5.08 -1.91 -3.44 114.58 115.72 3fga h GLU 164 Ca -0.51 0.00 -0.57 0.00 -1.00 0.00 0.00 59.36 57.29 3fga h GLU 164 Cb 1.26 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.46 3fga h GLU 164 CO 0.61 0.54 1.01 0.34 -1.00 0.00 0.00 179.01 180.52 3fga s ASP 165 N -6.63 6.56 0.42 1.42 2.15 -1.26 -4.74 116.67 114.59 3fga s ASP 165 Ca -0.00 1.13 0.08 0.00 0.43 0.00 0.00 52.55 54.19 3fga s ASP 165 Cb 0.11 -2.54 0.90 0.00 -0.30 0.00 0.00 42.92 41.09 3fga s ASP 165 CO 0.73 -1.19 2.07 -0.65 -0.17 0.00 0.00 175.17 175.96 3fga h PRO 166 N 9.79 0.49 -0.66 4.34 0.11 -1.91 -1.82 132.00 142.33 3fga h PRO 166 Ca -0.27 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 65.75 3fga h PRO 166 Cb 1.10 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 32.07 3fga h PRO 166 CO 1.05 0.33 0.17 0.00 -0.21 0.00 0.00 178.00 179.34 3fga h ARG 167 N 0.51 1.03 -0.00 1.05 -0.00 -1.98 0.11 114.38 115.09 3fga h ARG 167 Ca 0.14 -0.23 -0.00 0.00 -0.50 0.00 0.00 59.98 59.39 3fga h ARG 167 Cb -0.05 -0.15 -0.00 0.00 0.00 0.00 0.00 29.97 29.78 3fga h ARG 167 CO -0.03 0.91 0.00 1.49 0.00 0.00 0.00 179.97 182.34 3fga h GLU 168 N 0.99 0.00 -0.90 0.04 4.81 -1.77 -2.04 114.58 115.71 3fga h GLU 168 Ca 0.21 -0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.53 3fga h GLU 168 Cb 0.33 -0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.64 3fga h GLU 168 CO -0.00 0.21 0.55 0.00 -0.73 0.00 0.00 179.01 179.05 3fga h ARG 169 N -0.20 0.93 -0.06 1.92 3.08 -1.23 -0.61 114.38 118.20 3fga h ARG 169 Ca 0.00 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.02 3fga h ARG 169 Cb 0.21 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 3fga h ARG 169 CO -0.00 0.61 -0.09 0.22 -1.07 0.00 0.00 179.97 179.65 3fga h ASP 170 N 0.96 -0.27 -0.56 7.04 -0.00 -0.82 0.55 116.42 123.31 3fga h ASP 170 Ca 0.42 0.05 -0.00 0.00 -0.00 0.00 0.00 57.03 57.50 3fga h ASP 170 Cb 0.29 0.13 -0.03 0.00 -0.00 0.00 0.00 39.33 39.73 3fga h ASP 170 CO -0.21 -0.12 0.35 -0.26 -0.00 0.00 0.00 179.24 178.99 3fga h PHE 171 N -0.12 0.73 -0.60 0.28 0.04 -0.96 -2.82 116.94 113.49 3fga h PHE 171 Ca 0.06 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.83 3fga h PHE 171 Cb 0.20 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3fga h PHE 171 CO -0.18 0.49 0.38 -0.07 -0.60 0.00 0.00 178.31 178.33 3fga h LEU 172 N 0.76 0.70 -0.39 1.54 3.38 -0.78 0.11 115.31 120.62 3fga h LEU 172 Ca 0.20 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 3fga h LEU 172 Cb -0.04 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.45 3fga h LEU 172 CO -0.04 0.52 -0.16 0.50 0.09 0.00 0.00 178.44 179.35 3fga h LYS 173 N 0.81 -0.08 -0.41 1.13 3.64 -0.76 0.97 116.57 121.87 3fga h LYS 173 Ca 0.22 0.01 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 3fga h LYS 173 Cb -0.07 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 3fga h LYS 173 CO -0.04 -0.05 -0.26 1.15 -2.27 0.00 0.00 179.45 177.98 3fga h THR 174 N -0.08 1.28 -0.02 1.00 2.02 -1.14 -2.01 112.91 113.96 3fga h THR 174 Ca 0.19 -1.41 -0.00 0.00 0.77 0.00 0.00 66.41 65.96 3fga h THR 174 Cb 0.38 1.28 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3fga h THR 174 CO -0.45 0.48 0.01 0.74 0.37 0.00 0.00 175.52 176.67 3fga h THR 175 N 0.73 1.09 -0.33 3.16 2.02 -0.08 -1.76 112.91 117.74 3fga h THR 175 Ca 0.09 -0.27 -0.07 0.00 0.77 0.00 0.00 66.41 66.92 3fga h THR 175 Cb 0.83 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3fga h THR 175 CO 0.07 0.07 -0.10 0.25 0.37 0.00 0.00 175.52 176.19 3fga h LEU 176 N -0.09 0.55 -1.02 2.58 6.46 -0.84 -1.63 115.31 121.32 3fga h LEU 176 Ca 0.01 -0.14 0.02 0.00 -0.12 0.00 0.00 57.88 57.65 3fga h LEU 176 Cb 0.11 -0.15 -0.05 0.00 -0.73 0.00 0.00 40.66 39.84 3fga h LEU 176 CO -0.00 0.69 0.66 -0.74 -0.62 0.00 0.00 178.44 178.43 3fga h HIS 177 N 0.52 1.25 0.07 1.25 2.76 -1.16 0.12 115.15 119.97 3fga h HIS 177 Ca 0.10 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 3fga h HIS 177 Cb 0.49 -0.42 0.00 0.00 1.55 0.00 0.00 27.41 29.03 3fga h HIS 177 CO 0.02 0.76 -0.04 0.00 -1.30 0.00 0.00 177.93 177.38 3fga h ARG 178 N 1.33 -0.09 -0.70 5.26 2.47 -0.80 -2.51 114.38 119.33 3fga h ARG 178 Ca 0.38 0.01 0.09 0.00 -1.26 0.00 0.00 59.98 59.19 3fga h ARG 178 Cb -0.10 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.17 3fga h ARG 178 CO -0.10 0.24 0.35 0.82 0.56 0.00 0.00 179.97 181.85 3fga h ILE 179 N -0.44 0.87 -0.68 2.04 2.04 -1.11 0.10 117.51 120.33 3fga h ILE 179 Ca -0.01 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.69 3fga h ILE 179 Cb 0.38 0.20 -0.05 0.00 -0.74 0.00 0.00 36.82 36.61 3fga h ILE 179 CO 0.02 0.11 0.40 0.22 0.00 0.00 0.00 178.15 178.90 3fga h TYR 180 N 0.61 0.74 -0.61 1.37 5.03 -0.75 -2.40 116.97 120.96 3fga h TYR 180 Ca 0.34 0.02 -0.05 0.00 2.58 0.00 0.00 58.73 61.63 3fga h TYR 180 Cb 0.34 -0.23 -0.03 0.00 1.55 0.00 0.00 36.73 38.36 3fga h TYR 180 CO -0.10 0.38 0.19 0.78 -1.32 0.00 0.00 178.16 178.09 3fga h GLY 181 N 0.75 1.02 -0.07 1.82 0.00 -0.42 -3.32 103.07 102.84 3fga h GLY 181 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 47.33 47.02 3fga h GLY 181 CO -0.16 0.56 -0.44 0.28 0.00 0.00 0.00 176.54 176.79 3fga n LYS 182 N -4.39 0.75 -3.72 4.80 5.02 -0.11 -4.72 118.16 115.79 3fga n LYS 182 Ca 0.04 -0.53 -0.30 0.00 -2.02 0.00 0.00 58.31 55.50 3fga n LYS 182 Cb 0.21 -1.49 -0.13 0.00 -0.02 0.00 0.00 35.03 33.59 3fga n LYS 182 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 3fga s PHE 183 N -2.61 1.93 0.41 2.13 0.08 -0.92 -4.83 117.98 114.17 3fga s PHE 183 Ca 0.19 -2.27 0.09 0.00 0.12 0.00 0.00 56.93 55.05 3fga s PHE 183 Cb 0.18 -1.85 0.89 0.00 -0.57 0.00 0.00 43.02 41.67 3fga s PHE 183 CO 0.60 -0.81 2.01 -0.07 -0.10 0.00 0.00 175.22 176.85 3fga h LEU 184 N 7.05 0.48 -0.87 -0.37 4.07 -1.84 -1.98 115.31 121.84 3fga h LEU 184 Ca -0.03 -0.00 0.08 0.00 0.08 0.00 0.00 57.88 58.01 3fga h LEU 184 Cb 0.95 -0.11 -0.07 0.00 1.08 0.00 0.00 40.66 42.51 3fga h LEU 184 CO 0.47 0.32 0.52 1.23 -1.08 0.00 0.00 178.44 179.91 3fga h GLY 185 N 0.55 1.35 1.29 0.83 0.00 -1.96 -2.70 103.07 102.44 3fga h GLY 185 Ca 0.22 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.19 3fga h GLY 185 CO -0.06 0.19 -0.21 1.04 0.00 0.00 0.00 176.54 177.51 3fga n LEU 186 N -4.67 0.33 -0.28 3.11 4.32 -0.76 -4.35 117.00 114.71 3fga n LEU 186 Ca 0.14 0.17 -0.06 0.00 -0.02 0.00 0.00 56.01 56.24 3fga n LEU 186 Cb 0.24 -0.31 0.06 0.00 -1.62 0.00 0.00 43.42 41.80 3fga n LEU 186 CO 0.29 0.07 1.08 0.03 -1.22 0.00 0.00 177.39 177.64 3fga h ARG 187 N 0.20 1.12 -0.32 3.23 3.08 -1.35 -1.18 114.38 119.15 3fga h ARG 187 Ca 0.00 -0.17 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 3fga h ARG 187 Cb 0.46 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3fga h ARG 187 CO 0.00 0.87 0.05 0.00 -1.07 0.00 0.00 179.97 179.82 3fga h ALA 188 N 1.19 0.43 -0.10 0.04 0.00 -1.78 -2.25 119.26 116.79 3fga h ALA 188 Ca 0.26 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3fga h ALA 188 Cb 0.13 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3fga h ALA 188 CO -0.03 0.12 0.05 -0.92 0.00 0.00 0.00 179.25 178.47 3fga h TYR 189 N 0.36 0.13 -0.95 0.00 3.20 -1.74 -1.41 116.97 116.56 3fga h TYR 189 Ca 0.10 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.00 3fga h TYR 189 Cb 0.35 -0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.52 3fga h TYR 189 CO 0.02 0.18 0.61 0.82 -1.64 0.00 0.00 178.16 178.15 3fga h ILE 190 N 0.05 1.16 0.05 1.81 2.04 -1.20 0.20 117.51 121.62 3fga h ILE 190 Ca 0.03 -0.41 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3fga h ILE 190 Cb 0.09 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.03 3fga h ILE 190 CO -0.01 0.22 -0.02 0.03 0.00 0.00 0.00 178.15 178.37 3fga h ARG 191 N 1.19 -0.07 -0.76 2.37 3.08 -1.11 -1.91 114.38 117.18 3fga h ARG 191 Ca 0.38 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.41 3fga h ARG 191 Cb 0.01 0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.04 3fga h ARG 191 CO -0.12 0.02 0.40 -0.22 -1.07 0.00 0.00 179.97 178.98 3fga h LYS 192 N -0.14 1.07 -0.34 0.04 1.63 -0.78 -2.18 116.57 115.87 3fga h LYS 192 Ca -0.01 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 59.58 3fga h LYS 192 Cb 0.12 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.53 3fga h LYS 192 CO 0.01 0.81 -0.10 0.37 -3.45 0.00 0.00 179.45 177.09 3fga h GLN 193 N 1.05 0.66 -0.11 1.90 5.75 -0.53 -2.00 115.11 121.84 3fga h GLN 193 Ca 0.26 -0.26 -0.12 0.00 -0.15 0.00 0.00 58.65 58.38 3fga h GLN 193 Cb 0.06 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.57 3fga h GLN 193 CO -0.04 0.84 -0.48 -0.84 -2.65 0.00 0.00 178.83 175.66 3fga h ILE 194 N 0.44 1.33 -0.59 2.39 3.07 -1.27 -1.92 117.51 120.97 3fga h ILE 194 Ca 0.08 -1.68 0.11 0.00 1.55 0.00 0.00 64.86 64.92 3fga h ILE 194 Cb 0.60 1.78 -0.08 0.00 -0.27 0.00 0.00 36.82 38.85 3fga h ILE 194 CO 0.04 0.50 0.15 0.78 -1.05 0.00 0.00 178.15 178.57 3fga h ASN 195 N 0.22 0.07 -0.52 2.16 2.35 -1.27 -1.00 115.58 117.58 3fga h ASN 195 Ca 0.01 0.10 0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3fga h ASN 195 Cb 0.92 0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.38 3fga h ASN 195 CO 0.08 0.05 0.32 0.78 -1.65 0.00 0.00 177.43 177.01 3fga h ASN 196 N 0.30 0.54 -0.69 5.81 2.35 -0.62 -0.86 115.58 122.40 3fga h ASN 196 Ca 0.31 -0.00 0.07 0.00 -0.55 0.00 0.00 56.30 56.13 3fga h ASN 196 Cb 0.43 -0.12 -0.06 0.00 0.05 0.00 0.00 38.32 38.62 3fga h ASN 196 CO -0.37 0.38 0.36 0.40 -1.65 0.00 0.00 177.43 176.56 3fga h ILE 197 N 0.65 0.91 0.45 2.81 2.04 -0.69 -1.90 117.51 121.78 3fga h ILE 197 Ca 0.20 -0.22 -0.02 0.00 1.00 0.00 0.00 64.86 65.82 3fga h ILE 197 Cb -0.01 0.21 0.00 0.00 -0.74 0.00 0.00 36.82 36.28 3fga h ILE 197 CO -0.08 0.12 -0.22 -0.26 0.00 0.00 0.00 178.15 177.71 3fga h PHE 198 N 0.64 -0.56 -0.86 1.37 0.05 -0.53 -1.87 116.94 115.18 3fga h PHE 198 Ca 0.32 -0.01 0.18 0.00 3.82 0.00 0.00 57.97 62.28 3fga h PHE 198 Cb 0.27 0.18 -0.16 0.00 2.00 0.00 0.00 35.95 38.25 3fga h PHE 198 CO -0.09 -0.24 -0.17 1.88 -0.18 0.00 0.00 178.31 179.50 3fga h TYR 199 N -0.89 -0.38 -0.78 -0.55 0.99 -1.04 0.66 116.97 114.98 3fga h TYR 199 Ca -0.06 0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.73 3fga h TYR 199 Cb 0.57 0.30 -0.04 0.00 1.00 0.00 0.00 36.73 38.57 3fga h TYR 199 CO 0.01 -0.36 0.45 -0.09 -0.00 0.00 0.00 178.16 178.17 3fga h ARG 200 N 0.01 1.06 -0.09 4.88 2.43 -1.29 0.32 114.38 121.70 3fga h ARG 200 Ca 0.43 -0.10 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 3fga h ARG 200 Cb 0.68 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 30.01 3fga h ARG 200 CO -0.86 0.75 -0.04 0.35 -1.51 0.00 0.00 179.97 178.66 3fga h PHE 201 N 1.07 0.21 -0.02 2.20 3.04 0.88 -0.15 116.94 124.17 3fga h PHE 201 Ca 0.28 -0.05 -0.22 0.00 3.98 0.00 0.00 57.97 61.96 3fga h PHE 201 Cb -0.02 -0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.44 3fga h PHE 201 CO 0.01 0.54 -0.90 0.97 -2.02 0.00 0.00 178.31 176.90 3fga h ILE 202 N -0.18 1.40 0.00 1.41 6.09 0.25 0.15 117.51 126.63 3fga h ILE 202 Ca 0.02 -2.39 0.00 0.00 -1.37 0.00 0.00 64.86 61.12 3fga h ILE 202 Cb 0.48 2.36 0.00 0.00 0.47 0.00 0.00 36.82 40.13 3fga h ILE 202 CO 0.01 0.72 -1.02 -1.22 -3.07 0.00 0.00 178.15 173.57 3fga n TYR 203 N -3.76 0.00 0.03 2.19 4.02 0.11 -4.76 117.16 114.99 3fga n TYR 203 Ca -0.06 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.82 3fga n TYR 203 Cb 0.81 -0.13 -0.00 0.00 -0.02 0.00 0.00 39.34 40.00 3fga n TYR 203 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3fga n GLU 204 N -1.57 0.04 -0.08 -0.72 1.02 -0.23 -4.98 120.64 114.12 3fga n GLU 204 Ca 0.00 0.02 -0.07 0.00 -0.02 0.00 0.00 57.16 57.09 3fga n GLU 204 Cb 0.25 -0.57 -0.14 0.00 -0.02 0.00 0.00 31.44 30.96 3fga n GLU 204 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3fga n THR 205 N -3.47 1.10 -1.72 2.62 -2.24 -0.29 -4.99 114.28 105.29 3fga n THR 205 Ca -0.02 -0.72 -0.13 0.00 -2.27 0.00 0.00 64.05 60.91 3fga n THR 205 Cb 0.14 -0.47 -0.04 0.00 -2.10 0.00 0.00 70.33 67.86 3fga n THR 205 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3fga n GLU 206 N -2.61 -1.58 -3.85 -0.78 1.02 0.04 -4.96 120.64 107.91 3fga n GLU 206 Ca -0.27 0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 57.39 3fga n GLU 206 Cb 1.02 -5.07 -0.17 0.00 -0.02 0.00 0.00 31.44 27.20 3fga n GLU 206 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 3fga s HIS 207 N -2.27 0.45 -0.29 -0.32 2.46 -1.26 -4.89 115.29 109.17 3fga s HIS 207 Ca 0.00 -0.04 -0.16 0.00 0.47 0.00 0.00 55.06 55.33 3fga s HIS 207 Cb 0.00 -0.60 0.14 0.00 -0.13 0.00 0.00 32.58 31.99 3fga s HIS 207 CO 0.00 -0.22 0.96 -1.58 -2.47 0.00 0.00 174.74 171.43 3fga s HIS 208 N 1.56 -0.60 -0.87 3.88 5.04 -1.26 -4.92 115.29 118.13 3fga s HIS 208 Ca -0.02 1.19 0.26 0.00 -1.54 0.00 0.00 55.06 54.95 3fga s HIS 208 Cb -0.13 0.36 1.00 0.00 0.04 0.00 0.00 32.58 33.85 3fga s HIS 208 CO -0.03 -0.30 1.80 0.09 -2.34 0.00 0.00 174.74 173.96 3fga n ASN 209 N 3.76 0.31 -0.50 9.88 3.02 -1.26 -4.16 115.26 126.31 3fga n ASN 209 Ca -0.18 0.54 0.06 0.00 -0.03 0.00 0.00 54.58 54.97 3fga n ASN 209 Cb 0.58 -0.62 0.19 0.00 -0.61 0.00 0.00 39.78 39.31 3fga n ASN 209 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fga n GLY 210 N 1.10 4.89 0.09 7.41 0.00 -1.18 -4.73 105.19 112.76 3fga n GLY 210 Ca 0.06 -1.20 -0.11 0.00 0.00 0.00 0.00 46.02 44.76 3fga n GLY 210 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3fga h ILE 211 N 0.69 1.15 -0.26 -0.61 1.08 -1.88 -2.46 117.51 115.23 3fga h ILE 211 Ca 0.03 -0.45 0.05 0.00 -0.39 0.00 0.00 64.86 64.10 3fga h ILE 211 Cb 1.14 1.24 -0.08 0.00 -3.07 0.00 0.00 36.82 36.06 3fga h ILE 211 CO 0.08 0.14 -0.44 0.00 -0.69 0.00 0.00 178.15 177.24 3fga h ALA 212 N 0.88 -0.55 -0.70 1.87 0.00 -1.86 -1.67 119.26 117.23 3fga h ALA 212 Ca 0.04 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.00 3fga h ALA 212 Cb 0.17 0.86 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 3fga h ALA 212 CO -0.00 -0.91 0.43 0.93 0.00 0.00 0.00 179.25 179.69 3fga h GLU 213 N -0.42 0.81 -0.44 0.00 3.07 -1.89 -0.14 114.58 115.57 3fga h GLU 213 Ca 0.10 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 3fga h GLU 213 Cb 0.61 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3fga h GLU 213 CO -0.48 0.54 0.05 -0.07 -1.40 0.00 0.00 179.01 177.65 3fga h LEU 214 N 0.83 0.65 -0.43 1.33 3.38 -1.15 -2.60 115.31 117.32 3fga h LEU 214 Ca 0.28 -0.12 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 3fga h LEU 214 Cb 0.04 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3fga h LEU 214 CO -0.12 0.68 -0.38 -0.07 0.09 0.00 0.00 178.44 178.65 3fga h LEU 215 N 0.66 0.96 -0.35 1.67 3.38 -0.24 -1.59 115.31 119.80 3fga h LEU 215 Ca 0.14 -0.43 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3fga h LEU 215 Cb 0.33 -0.27 -0.07 0.00 0.09 0.00 0.00 40.66 40.74 3fga h LEU 215 CO 0.01 1.22 -0.09 -0.33 0.09 0.00 0.00 178.44 179.34 3fga h GLU 216 N 0.74 -0.01 -0.56 1.13 5.08 -0.79 1.02 114.58 121.19 3fga h GLU 216 Ca 0.06 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.49 3fga h GLU 216 Cb 0.96 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.16 3fga h GLU 216 CO 0.09 -0.00 0.25 0.82 -1.00 0.00 0.00 179.01 179.17 3fga h ILE 217 N -0.01 0.87 -0.20 3.13 2.04 -1.39 -2.24 117.51 119.72 3fga h ILE 217 Ca 0.17 -0.16 -0.08 0.00 1.00 0.00 0.00 64.86 65.79 3fga h ILE 217 Cb 0.26 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 3fga h ILE 217 CO -0.36 0.09 -0.22 -0.07 0.00 0.00 0.00 178.15 177.58 3fga h LEU 218 N 0.47 0.36 0.22 1.44 3.38 -0.00 -0.94 115.31 120.23 3fga h LEU 218 Ca 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3fga h LEU 218 Cb 0.24 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 3fga h LEU 218 CO -0.22 0.59 -0.14 1.23 0.09 0.00 0.00 178.44 179.99 3fga h GLY 219 N 0.97 -0.35 1.11 0.83 0.00 0.15 0.21 103.07 105.99 3fga h GLY 219 Ca 0.05 0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3fga h GLY 219 CO 0.04 -0.14 0.55 1.48 0.00 0.00 0.00 176.54 178.47 3fga h SER 220 N -0.35 1.04 -0.81 0.19 4.64 -1.10 -2.00 113.55 115.15 3fga h SER 220 Ca -0.02 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.23 3fga h SER 220 Cb 0.30 -0.26 -0.04 0.00 -0.31 0.00 0.00 62.40 62.09 3fga h SER 220 CO 0.02 0.78 0.39 0.40 -0.87 0.00 0.00 176.83 177.55 3fga h ILE 221 N 1.21 1.25 -0.49 0.95 2.04 -0.74 -2.88 117.51 118.85 3fga h ILE 221 Ca 0.32 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.50 3fga h ILE 221 Cb -0.09 0.22 -0.04 0.00 -0.74 0.00 0.00 36.82 36.17 3fga h ILE 221 CO -0.06 0.30 0.28 0.40 0.00 0.00 0.00 178.15 179.07 3fga h ILE 222 N 1.15 1.03 -0.97 -0.67 1.08 0.16 -2.43 117.51 116.86 3fga h ILE 222 Ca 0.28 -0.19 0.08 0.00 -0.39 0.00 0.00 64.86 64.64 3fga h ILE 222 Cb 0.11 0.42 -0.07 0.00 -3.07 0.00 0.00 36.82 34.21 3fga h ILE 222 CO -0.04 0.10 0.62 0.78 -0.69 0.00 0.00 178.15 178.93 3fga h ASN 223 N 0.56 0.96 0.27 1.72 -0.26 -1.30 -2.35 115.58 115.18 3fga h ASN 223 Ca 0.20 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.94 3fga h ASN 223 Cb 0.05 -0.19 -0.00 0.00 -1.06 0.00 0.00 38.32 37.12 3fga h ASN 223 CO -0.11 0.59 -0.10 1.23 -1.06 0.00 0.00 177.43 177.99 3fga h GLY 224 N 1.08 0.00 -1.75 2.83 0.00 -1.23 -3.46 103.07 100.53 3fga h GLY 224 Ca 0.43 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 47.25 3fga h GLY 224 CO -0.18 0.00 -0.67 0.69 0.00 0.00 0.00 176.54 176.38 3fga n PHE 225 N -3.74 -1.35 -3.46 5.60 3.72 -0.89 -4.99 117.46 112.35 3fga n PHE 225 Ca -0.02 0.20 -0.19 0.00 -0.05 0.00 0.00 57.45 57.39 3fga n PHE 225 Cb 0.20 -1.73 -0.01 0.00 -0.94 0.00 0.00 39.48 37.01 3fga n PHE 225 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3fga s ALA 226 N -2.36 4.20 0.00 4.37 0.00 -1.26 -5.06 121.76 121.65 3fga s ALA 226 Ca 0.57 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.98 3fga s ALA 226 Cb -0.19 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.39 3fga s ALA 226 CO 0.67 -0.07 0.89 1.47 0.00 0.00 0.00 175.76 178.71 3fga n LEU 227 N -1.62 0.00 -4.56 0.00 -0.00 -1.26 -3.58 117.00 105.97 3fga n LEU 227 Ca 0.01 0.89 -0.37 0.00 -0.00 0.00 0.00 56.01 56.54 3fga n LEU 227 Cb 0.59 -0.39 -0.03 0.00 -0.00 0.00 0.00 43.42 43.58 3fga n LEU 227 CO 0.42 -0.39 1.51 -2.16 -0.00 0.00 0.00 177.39 176.76 3fga s PRO 228 N -2.57 3.34 -0.05 1.47 0.04 -1.26 -4.94 135.00 131.03 3fga s PRO 228 Ca 0.00 -1.03 -0.32 0.00 0.04 0.00 0.00 61.00 59.69 3fga s PRO 228 Cb 0.00 -5.30 -0.16 0.00 0.04 0.00 0.00 34.50 29.08 3fga s PRO 228 CO 0.00 -2.58 0.89 -0.11 0.04 0.00 0.00 177.00 175.25 3fga n LEU 229 N 10.30 0.12 -4.77 -3.56 0.00 -1.24 -4.91 117.00 112.94 3fga n LEU 229 Ca 0.37 0.91 -0.39 0.00 0.00 0.00 0.00 56.01 56.90 3fga n LEU 229 Cb 0.49 -0.72 -0.03 0.00 0.00 0.00 0.00 43.42 43.16 3fga n LEU 229 CO 0.66 -1.39 0.82 -0.54 0.00 0.00 0.00 177.39 176.94 3fga s LYS 230 N 0.31 4.37 0.32 1.96 1.02 -1.26 -4.95 119.74 121.51 3fga s LYS 230 Ca 0.73 1.82 0.06 0.00 0.02 0.00 0.00 55.97 58.60 3fga s LYS 230 Cb -1.02 -2.93 0.74 0.00 -0.52 0.00 0.00 37.83 34.10 3fga s LYS 230 CO 0.47 -0.04 1.81 0.93 -0.92 0.00 0.00 175.35 177.60 3fga h GLU 231 N 3.23 0.75 -0.71 1.68 4.39 -2.00 -1.94 114.58 119.98 3fga h GLU 231 Ca -0.48 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.31 3fga h GLU 231 Cb 1.22 -0.17 -0.09 0.00 -0.10 0.00 0.00 28.75 29.61 3fga h GLU 231 CO 0.65 0.50 0.24 1.49 -1.16 0.00 0.00 179.01 180.73 3fga h GLU 232 N 0.77 0.37 0.07 2.33 4.81 -2.00 -1.57 114.58 119.37 3fga h GLU 232 Ca 0.54 -0.02 -0.24 0.00 -0.13 0.00 0.00 59.36 59.50 3fga h GLU 232 Cb 0.82 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.11 3fga h GLU 232 CO -0.31 0.25 -1.10 0.45 -0.73 0.00 0.00 179.01 177.57 3fga h HIS 233 N 0.38 0.37 -0.15 0.92 3.86 -1.75 -0.99 115.15 117.79 3fga h HIS 233 Ca 0.38 -0.25 0.02 0.00 -1.16 0.00 0.00 60.37 59.36 3fga h HIS 233 Cb 0.58 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 3fga h HIS 233 CO -0.19 1.15 0.05 0.87 0.86 0.00 0.00 177.93 180.67 3fga h LYS 234 N 0.08 0.12 -0.48 2.45 1.57 -1.31 -0.17 116.57 118.83 3fga h LYS 234 Ca -0.09 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.74 3fga h LYS 234 Cb 1.80 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 34.04 3fga h LYS 234 CO 0.17 0.08 0.20 0.82 -0.57 0.00 0.00 179.45 180.15 3fga h ILE 235 N 0.12 0.89 -1.00 1.86 2.04 -1.22 -1.50 117.51 118.70 3fga h ILE 235 Ca 0.07 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.85 3fga h ILE 235 Cb 0.04 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 36.51 3fga h ILE 235 CO -0.07 0.07 0.64 0.15 0.00 0.00 0.00 178.15 178.94 3fga h PHE 236 N 0.40 1.19 0.14 1.37 3.04 -0.62 0.52 116.94 122.99 3fga h PHE 236 Ca 0.22 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 3fga h PHE 236 Cb 0.19 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 38.31 3fga h PHE 236 CO -0.13 0.62 -0.07 1.25 -2.02 0.00 0.00 178.31 177.96 3fga h LEU 237 N 1.17 -0.16 -0.57 0.59 5.85 -0.53 -0.79 115.31 120.88 3fga h LEU 237 Ca 0.43 -0.20 -0.16 0.00 0.84 0.00 0.00 57.88 58.79 3fga h LEU 237 Cb 0.15 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3fga h LEU 237 CO -0.17 0.12 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.41 3fga h LEU 238 N -0.45 0.50 0.00 2.25 3.38 -0.80 -1.66 115.31 118.53 3fga h LEU 238 Ca -0.02 -0.27 -0.31 0.00 0.09 0.00 0.00 57.88 57.37 3fga h LEU 238 Cb 0.36 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.91 3fga h LEU 238 CO 0.03 0.96 -2.08 0.29 0.09 0.00 0.00 178.44 177.73 3fga n LYS 239 N -3.93 0.66 -0.05 1.13 4.01 0.18 -4.45 118.16 115.71 3fga n LYS 239 Ca -0.03 0.09 -0.06 0.00 -0.51 0.00 0.00 58.31 57.80 3fga n LYS 239 Cb 0.61 -1.63 -0.02 0.00 -0.51 0.00 0.00 35.03 33.48 3fga n LYS 239 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3fga n VAL 240 N -2.82 1.27 -0.25 -0.18 0.31 -0.36 -4.51 118.33 111.78 3fga n VAL 240 Ca -0.25 0.22 -0.06 0.00 -0.01 0.00 0.00 64.34 64.24 3fga n VAL 240 Cb 1.07 -2.10 0.05 0.00 -0.91 0.00 0.00 33.84 31.95 3fga n VAL 240 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3fga h LEU 241 N -0.70 0.89 0.44 7.52 3.38 -1.12 -2.58 115.31 123.13 3fga h LEU 241 Ca 0.00 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 3fga h LEU 241 Cb 0.70 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.23 3fga h LEU 241 CO 0.00 0.75 -0.21 -0.07 0.09 0.00 0.00 178.44 179.00 3fga h LEU 242 N 0.97 -0.50 -2.55 1.67 3.38 -1.52 -2.97 115.31 113.78 3fga h LEU 242 Ca 0.24 -0.08 0.01 0.00 0.09 0.00 0.00 57.88 58.15 3fga h LEU 242 Cb 0.08 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 3fga h LEU 242 CO -0.03 -0.21 0.12 -0.65 0.09 0.00 0.00 178.44 177.75 3fga h PRO 243 N -0.79 0.00 0.00 1.13 0.11 -1.78 0.17 132.00 130.85 3fga h PRO 243 Ca -0.06 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.05 3fga h PRO 243 Cb 0.54 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.65 3fga h PRO 243 CO 0.10 0.00 0.27 -0.07 -0.21 0.00 0.00 178.00 178.09 3fga h LEU 244 N 0.00 0.00 -1.03 2.35 3.38 -1.29 -0.13 115.31 118.60 3fga h LEU 244 Ca 0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 3fga h LEU 244 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3fga h LEU 244 CO -0.00 0.00 -0.20 0.45 0.09 0.00 0.00 178.44 178.78 3fga h HIS 245 N 0.00 0.00 -0.00 1.13 3.86 -0.79 -3.28 115.15 116.07 3fga h HIS 245 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3fga h HIS 245 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 3fga h HIS 245 CO 0.00 0.20 -0.11 0.36 0.86 0.00 0.00 177.93 179.24 3fga n LYS 246 N -3.33 0.07 -2.97 2.45 2.85 -0.06 -4.89 118.16 112.27 3fga n LYS 246 Ca 0.00 -0.01 -0.36 0.00 -1.05 0.00 0.00 58.31 56.89 3fga n LYS 246 Cb 0.44 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 33.26 3fga n LYS 246 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3fga s VAL 247 N -2.94 4.44 0.36 0.58 -7.23 -1.24 -4.96 120.40 109.41 3fga s VAL 247 Ca 0.15 1.46 0.06 0.00 -1.81 0.00 0.00 61.98 61.84 3fga s VAL 247 Cb 0.19 -3.87 0.29 0.00 0.56 0.00 0.00 36.38 33.55 3fga s VAL 247 CO 0.56 0.10 1.97 0.50 -0.31 0.00 0.00 175.10 177.92 3fga h LYS 248 N 3.10 0.73 -1.11 4.82 3.64 -1.92 -2.79 116.57 123.04 3fga h LYS 248 Ca -0.48 -0.04 -0.32 0.00 -1.27 0.00 0.00 60.65 58.54 3fga h LYS 248 Cb 1.19 -0.16 -0.17 0.00 -0.41 0.00 0.00 32.23 32.67 3fga h LYS 248 CO 0.65 0.48 0.40 -1.13 -2.27 0.00 0.00 179.45 177.58 3fga n SER 249 N -4.48 4.22 -0.25 4.20 3.41 -1.26 -4.56 113.62 114.90 3fga n SER 249 Ca 0.10 -2.98 0.17 0.00 -0.26 0.00 0.00 58.87 55.90 3fga n SER 249 Cb 0.21 -0.78 0.46 0.00 -0.26 0.00 0.00 64.21 63.85 3fga n SER 249 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3fga h LEU 250 N 1.35 0.49 -1.99 1.04 5.85 -1.84 -2.43 115.31 117.78 3fga h LEU 250 Ca 0.36 0.04 0.14 0.00 0.84 0.00 0.00 57.88 59.26 3fga h LEU 250 Cb 1.78 -0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.74 3fga h LEU 250 CO 0.69 0.21 0.35 0.77 -0.34 0.00 0.00 178.44 180.12 3fga h SER 251 N 0.50 0.01 0.21 1.25 4.64 -1.90 0.35 113.55 118.61 3fga h SER 251 Ca 0.47 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.74 3fga h SER 251 Cb 1.02 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.10 3fga h SER 251 CO -0.20 0.00 -0.21 0.58 -0.87 0.00 0.00 176.83 176.14 3fga h VAL 252 N 0.01 1.15 0.00 0.95 2.07 -1.83 -3.33 116.25 115.28 3fga h VAL 252 Ca 0.23 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 67.03 3fga h VAL 252 Cb 0.91 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 3fga h VAL 252 CO -0.00 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.79 3fga n TYR 253 N -4.29 0.00 -0.18 1.57 4.11 -0.84 -4.78 117.16 112.74 3fga n TYR 253 Ca -0.02 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.90 57.85 3fga n TYR 253 Cb 0.27 -0.00 0.08 0.00 -0.00 0.00 0.00 39.34 39.69 3fga n TYR 253 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.86 178.11 3fga h HIS 254 N 0.00 0.36 -0.10 -3.48 2.76 -1.06 -0.09 115.15 113.54 3fga h HIS 254 Ca 0.00 0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.24 3fga h HIS 254 Cb 0.77 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 29.60 3fga h HIS 254 CO 0.00 0.11 -0.25 -1.35 -1.30 0.00 0.00 177.93 175.14 3fga h PRO 255 N 0.39 -0.32 0.00 5.26 0.11 -1.86 0.57 132.00 136.15 3fga h PRO 255 Ca 0.27 0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.34 3fga h PRO 255 Cb 0.30 0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 3fga h PRO 255 CO -0.27 -0.21 -0.29 -0.56 -0.21 0.00 0.00 178.00 176.46 3fga h GLN 256 N -0.33 0.00 0.12 1.05 -0.00 -1.88 -0.36 115.11 113.70 3fga h GLN 256 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 3fga h GLN 256 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.95 3fga h GLN 256 CO -0.29 0.29 -0.06 1.25 -0.00 0.00 0.00 178.83 180.02 3fga h LEU 257 N 0.00 -0.14 -1.00 0.06 5.85 -0.01 -2.40 115.31 117.67 3fga h LEU 257 Ca -0.00 -0.33 0.16 0.00 0.84 0.00 0.00 57.88 58.55 3fga h LEU 257 Cb 0.55 0.04 -0.10 0.00 0.37 0.00 0.00 40.66 41.52 3fga h LEU 257 CO 0.04 0.28 0.61 0.00 -0.34 0.00 0.00 178.44 179.03 3fga h ALA 258 N 0.21 1.59 0.63 1.25 0.00 0.58 -1.78 119.26 121.74 3fga h ALA 258 Ca -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 3fga h ALA 258 Cb 0.46 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.12 3fga h ALA 258 CO 0.03 0.06 -0.30 -0.92 0.00 0.00 0.00 179.25 178.12 3fga h TYR 259 N 0.85 -0.79 -0.70 0.00 3.20 -1.05 -0.84 116.97 117.65 3fga h TYR 259 Ca 0.54 -0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.54 3fga h TYR 259 Cb 0.72 0.26 -0.13 0.00 1.54 0.00 0.00 36.73 39.12 3fga h TYR 259 CO -0.01 -0.49 -0.14 0.00 -1.64 0.00 0.00 178.16 175.89 3fga h VAL 261 N 0.02 0.73 -0.73 0.00 2.07 -1.15 -2.95 116.25 114.25 3fga h VAL 261 Ca 0.34 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.94 3fga h VAL 261 Cb 0.54 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.98 3fga h VAL 261 CO -0.70 0.00 0.39 0.58 0.02 0.00 0.00 177.57 177.87 3fga h VAL 262 N -0.33 0.91 -0.60 2.57 2.07 -0.40 -2.55 116.25 117.92 3fga h VAL 262 Ca -0.03 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3fga h VAL 262 Cb 0.27 0.16 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 3fga h VAL 262 CO 0.03 0.13 0.34 -0.61 0.02 0.00 0.00 177.57 177.48 3fga h GLN 263 N 0.69 0.62 -0.79 1.57 5.75 -1.13 -1.54 115.11 120.28 3fga h GLN 263 Ca 0.34 -0.04 0.12 0.00 -0.15 0.00 0.00 58.65 58.92 3fga h GLN 263 Cb 0.29 -0.14 -0.08 0.00 1.07 0.00 0.00 27.48 28.62 3fga h GLN 263 CO -0.23 0.41 0.41 0.74 -2.65 0.00 0.00 178.83 177.51 3fga h PHE 264 N 0.64 0.72 -0.14 3.99 -1.00 -1.29 0.57 116.94 120.44 3fga h PHE 264 Ca 0.26 0.03 -0.11 0.00 2.81 0.00 0.00 57.97 60.96 3fga h PHE 264 Cb 0.12 -0.20 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 3fga h PHE 264 CO -0.08 0.23 -0.39 -0.07 -1.61 0.00 0.00 178.31 176.39 3fga h LEU 265 N 0.64 0.31 -0.44 1.54 3.38 -1.12 -0.02 115.31 119.61 3fga h LEU 265 Ca 0.41 -0.13 -0.11 0.00 0.09 0.00 0.00 57.88 58.14 3fga h LEU 265 Cb 0.49 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 3fga h LEU 265 CO -0.31 0.68 -0.16 -0.08 0.09 0.00 0.00 178.44 178.66 3fga h GLU 266 N 0.26 0.89 -0.04 1.13 4.57 -0.82 -3.10 114.58 117.47 3fga h GLU 266 Ca 0.03 -0.36 -0.11 0.00 -1.18 0.00 0.00 59.36 57.73 3fga h GLU 266 Cb 0.80 -0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.34 3fga h GLU 266 CO 0.06 1.01 -0.48 0.87 -1.18 0.00 0.00 179.01 179.29 3fga h LYS 267 N 0.72 0.10 -1.21 1.92 1.57 -0.12 -3.42 116.57 116.13 3fga h LYS 267 Ca 0.11 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3fga h LYS 267 Cb 0.71 0.00 -0.23 0.00 0.08 0.00 0.00 32.23 32.80 3fga h LYS 267 CO 0.05 0.56 -0.37 0.34 -0.57 0.00 0.00 179.45 179.47 3fga s ASP 268 N -6.89 -1.03 0.60 0.86 -1.08 -0.09 -4.91 116.67 104.13 3fga s ASP 268 Ca -0.03 0.42 0.38 0.00 -0.52 0.00 0.00 52.55 52.80 3fga s ASP 268 Cb 0.13 1.85 1.91 0.00 -1.46 0.00 0.00 42.92 45.36 3fga s ASP 268 CO 0.76 -0.29 2.20 0.77 0.52 0.00 0.00 175.17 179.13 3fga h SER 269 N 8.04 0.00 0.51 -0.34 4.64 -1.80 -2.90 113.55 121.71 3fga h SER 269 Ca -0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 3fga h SER 269 Cb 1.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3fga h SER 269 CO 0.23 0.02 0.00 0.35 -0.87 0.00 0.00 176.83 176.56 3fga n THR 270 N -3.23 1.03 0.98 2.95 -2.24 -1.26 -2.41 114.28 110.11 3fga n THR 270 Ca -0.02 0.29 0.13 0.00 -2.27 0.00 0.00 64.05 62.18 3fga n THR 270 Cb 0.17 -1.13 0.59 0.00 -2.10 0.00 0.00 70.33 67.86 3fga n THR 270 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3fga n LEU 271 N -1.78 0.00 -0.00 3.22 7.99 -1.09 -4.39 117.00 120.95 3fga n LEU 271 Ca 0.02 0.46 -0.09 0.00 -0.01 0.00 0.00 56.01 56.39 3fga n LEU 271 Cb 0.17 -0.46 0.07 0.00 -0.11 0.00 0.00 43.42 43.09 3fga n LEU 271 CO 0.14 -0.04 0.52 0.71 -1.51 0.00 0.00 177.39 177.21 3fga h THR 272 N 0.00 1.31 0.32 -5.08 1.35 -1.72 -2.89 112.91 106.21 3fga h THR 272 Ca 0.00 -1.71 -0.01 0.00 -0.55 0.00 0.00 66.41 64.14 3fga h THR 272 Cb 0.41 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.51 3fga h THR 272 CO 0.00 0.53 -0.19 -0.08 -0.25 0.00 0.00 175.52 175.54 3fga h GLU 273 N 0.45 -0.47 -0.64 4.72 4.81 -1.84 -0.86 114.58 120.75 3fga h GLU 273 Ca 0.02 0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 3fga h GLU 273 Cb 1.02 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.46 3fga h GLU 273 CO 0.09 -0.31 0.37 -1.35 -0.73 0.00 0.00 179.01 177.09 3fga h PRO 274 N -0.48 0.70 -0.67 0.92 0.11 -1.85 0.15 132.00 130.88 3fga h PRO 274 Ca -0.04 -0.04 -0.07 0.00 0.11 0.00 0.00 66.00 65.97 3fga h PRO 274 Cb 0.39 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 31.32 3fga h PRO 274 CO 0.04 0.46 0.16 -0.24 -0.21 0.00 0.00 178.00 178.21 3fga h VAL 275 N 0.72 1.26 -0.23 3.15 3.04 -1.41 0.63 116.25 123.41 3fga h VAL 275 Ca 0.27 -0.96 -0.18 0.00 -1.01 0.00 0.00 66.70 64.82 3fga h VAL 275 Cb 0.09 0.59 -0.00 0.00 -2.01 0.00 0.00 31.29 29.96 3fga h VAL 275 CO -0.14 0.37 -0.57 0.58 -1.01 0.00 0.00 177.57 176.80 3fga h VAL 276 N 1.01 1.30 -0.31 1.51 2.07 -0.91 -1.28 116.25 119.63 3fga h VAL 276 Ca 0.21 -1.78 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 3fga h VAL 276 Cb 0.37 1.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 3fga h VAL 276 CO 0.00 0.57 0.02 0.24 0.02 0.00 0.00 177.57 178.42 3fga h MET 277 N 0.55 0.46 -0.08 1.57 2.86 -0.44 -1.69 114.93 118.16 3fga h MET 277 Ca 0.01 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.54 3fga h MET 277 Cb 1.15 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.73 3fga h MET 277 CO 0.12 0.47 -0.05 0.00 1.06 0.00 0.00 176.91 178.51 3fga h ALA 278 N 1.58 0.11 -0.53 6.32 0.00 -0.47 -0.94 119.26 125.33 3fga h ALA 278 Ca 0.10 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.78 3fga h ALA 278 Cb 0.26 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3fga h ALA 278 CO 0.00 -0.12 0.35 -0.07 0.00 0.00 0.00 179.25 179.42 3fga h LEU 279 N -0.23 0.54 -0.44 0.00 3.38 -1.05 0.52 115.31 118.03 3fga h LEU 279 Ca 0.02 -0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 3fga h LEU 279 Cb 0.52 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 3fga h LEU 279 CO 0.01 0.38 -0.03 -0.07 0.09 0.00 0.00 178.44 178.82 3fga h LEU 280 N 0.63 0.78 -1.32 1.67 3.38 -1.22 -2.83 115.31 116.41 3fga h LEU 280 Ca 0.21 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3fga h LEU 280 Cb 0.06 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3fga h LEU 280 CO -0.05 0.92 0.47 0.50 0.09 0.00 0.00 178.44 180.36 3fga h LYS 281 N 0.63 0.91 -0.63 1.13 3.64 0.41 -2.78 116.57 119.87 3fga h LYS 281 Ca 0.12 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3fga h LYS 281 Cb 0.53 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3fga h LYS 281 CO 0.03 0.60 0.00 0.66 -2.27 0.00 0.00 179.45 178.47 3fga n TYR 282 N -4.43 1.22 -1.77 1.91 0.53 -0.02 -4.98 117.16 109.62 3fga n TYR 282 Ca 0.08 -0.48 -0.42 0.00 -1.02 0.00 0.00 57.90 56.06 3fga n TYR 282 Cb 0.05 -0.22 -0.03 0.00 -1.03 0.00 0.00 39.34 38.11 3fga n TYR 282 CO 0.00 0.00 0.00 -0.46 -1.02 0.00 0.00 176.86 175.38 3fga s TRP 283 N -1.83 1.85 0.10 -0.72 -0.11 -1.05 -4.87 118.94 112.31 3fga s TRP 283 Ca 0.41 -0.11 -0.33 0.00 1.22 0.00 0.00 56.10 57.29 3fga s TRP 283 Cb 0.26 -4.14 -0.12 0.00 -1.50 0.00 0.00 33.47 27.97 3fga s TRP 283 CO 0.19 -4.85 1.73 -2.30 -4.62 0.00 0.00 176.95 167.10 3fga n PRO 284 N 6.52 2.41 0.01 5.86 -0.02 -1.26 -4.90 135.00 143.61 3fga n PRO 284 Ca 0.18 0.87 0.11 0.00 -2.02 0.00 0.00 63.50 62.64 3fga n PRO 284 Cb 0.40 -2.70 -0.15 0.00 -0.02 0.00 0.00 33.50 31.03 3fga n PRO 284 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3fga n LYS 285 N 4.77 0.65 -0.16 -0.52 4.01 -1.26 -4.62 118.16 121.03 3fga n LYS 285 Ca 0.18 -0.15 0.02 0.00 -0.51 0.00 0.00 58.31 57.85 3fga n LYS 285 Cb 0.32 -1.56 0.03 0.00 -0.51 0.00 0.00 35.03 33.30 3fga n LYS 285 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 3fga n THR 286 N -2.32 0.58 -3.66 -0.18 -2.24 -1.26 -4.99 114.28 100.21 3fga n THR 286 Ca -0.03 -0.66 -0.30 0.00 -2.27 0.00 0.00 64.05 60.79 3fga n THR 286 Cb 0.57 0.51 -0.15 0.00 -2.10 0.00 0.00 70.33 69.16 3fga n THR 286 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3fga s HIS 287 N -0.78 1.30 0.00 4.78 5.04 -1.26 -5.05 115.29 119.32 3fga s HIS 287 Ca 0.06 -1.55 -0.25 0.00 -1.54 0.00 0.00 55.06 51.79 3fga s HIS 287 Cb 0.06 -1.46 -0.16 0.00 0.04 0.00 0.00 32.58 31.05 3fga s HIS 287 CO 0.01 -0.86 1.20 0.77 -2.34 0.00 0.00 174.74 173.52 3fga h SER 288 N 8.02 -0.33 -1.01 9.88 0.02 -1.94 -2.21 113.55 125.98 3fga h SER 288 Ca -0.13 -0.19 0.32 0.00 -0.84 0.00 0.00 61.79 60.95 3fga h SER 288 Cb 1.00 0.09 -0.15 0.00 0.14 0.00 0.00 62.40 63.48 3fga h SER 288 CO 0.45 0.05 0.58 -0.65 -1.14 0.00 0.00 176.83 176.11 3fga h PRO 289 N -0.76 0.33 -0.13 3.45 0.11 -2.00 0.89 132.00 133.89 3fga h PRO 289 Ca -0.04 -0.02 -0.07 0.00 0.11 0.00 0.00 66.00 65.98 3fga h PRO 289 Cb 0.50 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.53 3fga h PRO 289 CO 0.07 0.22 -0.23 0.87 -0.21 0.00 0.00 178.00 178.72 3fga h LYS 290 N 0.34 0.23 -0.30 1.05 1.57 -1.93 -0.51 116.57 117.02 3fga h LYS 290 Ca 0.73 -0.07 -0.03 0.00 -1.87 0.00 0.00 60.65 59.41 3fga h LYS 290 Cb 1.65 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 33.93 3fga h LYS 290 CO -0.59 0.45 0.08 1.49 -0.57 0.00 0.00 179.45 180.31 3fga h GLU 291 N 0.21 0.48 -0.76 3.15 4.81 0.14 -0.23 114.58 122.37 3fga h GLU 291 Ca 0.04 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.16 3fga h GLU 291 Cb 0.52 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.80 3fga h GLU 291 CO 0.04 0.54 0.50 0.28 -0.73 0.00 0.00 179.01 179.64 3fga h VAL 292 N 0.32 1.20 -0.52 0.32 2.07 -1.05 -1.56 116.25 117.02 3fga h VAL 292 Ca 0.09 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 67.30 3fga h VAL 292 Cb 0.27 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.08 3fga h VAL 292 CO -0.00 0.19 0.28 0.24 0.02 0.00 0.00 177.57 178.30 3fga h MET 293 N 1.03 0.54 -0.23 1.57 2.86 -0.66 -1.14 114.93 118.89 3fga h MET 293 Ca 0.28 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 3fga h MET 293 Cb -0.12 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.41 3fga h MET 293 CO -0.06 0.35 0.08 0.74 1.06 0.00 0.00 176.91 179.09 3fga h PHE 294 N 0.55 0.36 -0.54 -0.22 -1.00 -0.77 -1.78 116.94 113.54 3fga h PHE 294 Ca 0.22 -0.03 0.06 0.00 2.81 0.00 0.00 57.97 61.03 3fga h PHE 294 Cb 0.10 -0.11 -0.05 0.00 3.61 0.00 0.00 35.95 39.50 3fga h PHE 294 CO -0.09 0.41 0.26 -0.07 -1.61 0.00 0.00 178.31 177.20 3fga h LEU 295 N 0.21 0.34 -0.90 1.54 3.38 -1.00 0.71 115.31 119.59 3fga h LEU 295 Ca 0.08 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3fga h LEU 295 Cb 0.21 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3fga h LEU 295 CO -0.00 0.23 0.56 -1.13 0.09 0.00 0.00 178.44 178.19 3fga h ASN 296 N 0.49 1.07 0.31 -0.43 -0.73 -1.10 -2.41 115.58 112.78 3fga h ASN 296 Ca 0.25 -0.06 -0.15 0.00 1.87 0.00 0.00 56.30 58.21 3fga h ASN 296 Cb 0.19 -0.27 -0.01 0.00 0.27 0.00 0.00 38.32 38.50 3fga h ASN 296 CO -0.19 0.81 -0.61 -0.08 -0.37 0.00 0.00 177.43 176.99 3fga h GLU 297 N 1.24 0.30 -0.24 6.67 4.81 -0.39 -3.03 114.58 123.94 3fga h GLU 297 Ca 0.33 -0.21 -0.20 0.00 -0.13 0.00 0.00 59.36 59.15 3fga h GLU 297 Cb -0.07 0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.34 3fga h GLU 297 CO -0.06 0.82 -0.62 1.25 -0.73 0.00 0.00 179.01 179.66 3fga h LEU 298 N 0.22 0.94 -0.10 1.64 5.85 -0.72 -2.42 115.31 120.72 3fga h LEU 298 Ca -0.01 -0.54 0.02 0.00 0.84 0.00 0.00 57.88 58.20 3fga h LEU 298 Cb 1.13 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3fga h LEU 298 CO 0.10 1.33 -0.04 -0.08 -0.34 0.00 0.00 178.44 179.41 3fga h GLU 299 N 0.61 -0.02 -0.59 1.25 4.81 -1.41 0.27 114.58 119.51 3fga h GLU 299 Ca -0.01 0.00 0.17 0.00 -0.13 0.00 0.00 59.36 59.39 3fga h GLU 299 Cb 1.23 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 3fga h GLU 299 CO 0.13 -0.01 0.42 0.93 -0.73 0.00 0.00 179.01 179.75 3fga h GLU 300 N -0.02 0.01 -0.01 1.92 5.08 -1.45 0.39 114.58 120.50 3fga h GLU 300 Ca 0.05 -0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3fga h GLU 300 Cb 0.10 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.35 3fga h GLU 300 CO -0.11 0.01 -0.18 0.82 -1.00 0.00 0.00 179.01 178.55 3fga h ILE 301 N 0.01 1.53 -0.16 3.13 2.04 -0.49 -3.14 117.51 120.43 3fga h ILE 301 Ca 0.28 -1.80 0.05 0.00 1.00 0.00 0.00 64.86 64.38 3fga h ILE 301 Cb 1.11 2.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.84 3fga h ILE 301 CO -0.01 0.49 0.15 -0.07 0.00 0.00 0.00 178.15 178.72 3fga h LEU 302 N -0.51 0.00 0.00 1.44 4.07 0.50 -1.22 115.31 119.60 3fga h LEU 302 Ca -0.02 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 3fga h LEU 302 Cb 0.89 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.63 3fga h LEU 302 CO 0.04 0.00 0.00 0.47 -1.08 0.00 0.00 178.44 177.87 3fga n ASP 303 N -4.02 0.00 0.00 -0.43 8.00 0.03 -2.50 116.55 117.63 3fga n ASP 303 Ca 0.01 -0.40 0.00 0.00 0.71 0.00 0.00 54.79 55.10 3fga n ASP 303 Cb 0.27 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3fga n ASP 303 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 3fga n VAL 304 N -1.02 0.08 -2.29 2.53 0.31 -0.48 -5.07 118.33 112.39 3fga n VAL 304 Ca 0.10 -0.19 -0.42 0.00 -0.01 0.00 0.00 64.34 63.82 3fga n VAL 304 Cb 0.05 1.46 -0.03 0.00 -0.91 0.00 0.00 33.84 34.42 3fga n VAL 304 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 3fga s ILE 305 N -0.08 3.94 0.30 2.52 1.10 -1.04 -4.98 121.20 122.95 3fga s ILE 305 Ca 0.00 1.25 -0.29 0.00 -0.51 0.00 0.00 60.65 61.10 3fga s ILE 305 Cb 0.00 -3.80 -0.10 0.00 0.15 0.00 0.00 42.46 38.71 3fga s ILE 305 CO 0.00 -0.04 1.30 -1.61 -2.11 0.00 0.00 174.94 172.48 3fga s GLU 306 N 2.80 4.38 0.41 3.50 0.41 -1.26 -4.89 118.70 124.05 3fga s GLU 306 Ca 0.61 2.16 0.20 0.00 -0.41 0.00 0.00 54.97 57.53 3fga s GLU 306 Cb -0.28 -3.11 1.14 0.00 -1.78 0.00 0.00 34.13 30.10 3fga s GLU 306 CO 0.23 -0.18 1.77 -1.35 -0.49 0.00 0.00 175.26 175.24 3fga h PRO 307 N 3.91 0.35 -0.65 0.39 0.11 -1.99 -0.81 132.00 133.31 3fga h PRO 307 Ca -0.48 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.55 3fga h PRO 307 Cb 1.22 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.22 3fga h PRO 307 CO 0.69 0.23 0.15 1.03 -0.21 0.00 0.00 178.00 179.89 3fga h SER 308 N 0.36 0.98 1.58 -2.05 0.87 -2.02 -1.64 113.55 111.63 3fga h SER 308 Ca 0.60 -0.20 -0.06 0.00 -1.23 0.00 0.00 61.79 60.90 3fga h SER 308 Cb 1.57 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 63.27 3fga h SER 308 CO -0.29 0.95 -0.27 -0.08 -0.53 0.00 0.00 176.83 176.61 3fga h GLU 309 N 0.98 0.00 -0.19 2.24 4.57 -1.57 -3.24 114.58 117.38 3fga h GLU 309 Ca 0.21 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.23 3fga h GLU 309 Cb 0.36 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.94 3fga h GLU 309 CO 0.00 0.27 -0.54 0.35 -1.18 0.00 0.00 179.01 177.92 3fga h PHE 310 N 0.00 0.69 0.00 0.92 3.04 -0.35 -3.14 116.94 118.10 3fga h PHE 310 Ca -0.00 -0.24 -0.04 0.00 3.98 0.00 0.00 57.97 61.67 3fga h PHE 310 Cb 1.13 -0.13 -0.01 0.00 2.56 0.00 0.00 35.95 39.50 3fga h PHE 310 CO 0.00 0.97 -0.20 0.28 -2.02 0.00 0.00 178.31 177.34 3fga h VAL 311 N 0.43 0.78 0.00 1.41 2.07 -1.44 -2.14 116.25 117.35 3fga h VAL 311 Ca 0.01 -0.80 -0.14 0.00 0.82 0.00 0.00 66.70 66.59 3fga h VAL 311 Cb 1.08 1.49 -0.02 0.00 -1.52 0.00 0.00 31.29 32.31 3fga h VAL 311 CO 0.10 0.20 -0.67 0.11 0.02 0.00 0.00 177.57 177.33 3fga h LYS 312 N 0.00 0.00 -0.00 1.57 1.57 -1.66 -3.35 116.57 114.70 3fga h LYS 312 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fga h LYS 312 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.78 3fga h LYS 312 CO 0.03 0.67 -0.00 0.44 -0.57 0.00 0.00 179.45 180.02 3fga n ILE 313 N -3.74 0.00 0.01 1.86 -0.00 -1.09 -4.79 119.36 111.62 3fga n ILE 313 Ca -0.01 -0.50 -0.10 0.00 -0.00 0.00 0.00 62.75 62.14 3fga n ILE 313 Cb 0.66 1.03 -0.03 0.00 -0.00 0.00 0.00 39.64 41.30 3fga n ILE 313 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 3fga h MET 314 N 0.33 -0.23 -0.22 6.28 -0.00 -1.53 -1.76 114.93 117.80 3fga h MET 314 Ca 0.00 0.02 -0.01 0.00 -0.00 0.00 0.00 59.70 59.71 3fga h MET 314 Cb 0.07 0.05 -0.01 0.00 -0.00 0.00 0.00 31.60 31.71 3fga h MET 314 CO 0.00 -0.15 0.11 0.93 -0.00 0.00 0.00 176.91 177.79 3fga h GLU 315 N -0.24 0.32 -0.45 -0.10 5.08 -1.86 0.16 114.58 117.49 3fga h GLU 315 Ca 0.09 -0.05 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3fga h GLU 315 Cb 0.37 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 3fga h GLU 315 CO -0.24 0.33 0.01 -1.35 -1.00 0.00 0.00 179.01 176.76 3fga h PRO 316 N 0.23 0.78 -0.62 2.33 0.11 -1.89 -1.52 132.00 131.41 3fga h PRO 316 Ca 0.08 -0.24 0.13 0.00 0.11 0.00 0.00 66.00 66.07 3fga h PRO 316 Cb 0.12 -0.07 -0.11 0.00 0.11 0.00 0.00 31.00 31.04 3fga h PRO 316 CO -0.01 0.84 -0.11 1.25 -0.21 0.00 0.00 178.00 179.76 3fga h LEU 317 N 0.63 -0.49 0.00 2.35 6.46 -0.95 -2.68 115.31 120.63 3fga h LEU 317 Ca 0.13 0.18 -0.06 0.00 -0.12 0.00 0.00 57.88 58.00 3fga h LEU 317 Cb 0.48 0.35 -0.01 0.00 -0.73 0.00 0.00 40.66 40.75 3fga h LEU 317 CO 0.02 -0.18 -0.56 -0.26 -0.62 0.00 0.00 178.44 176.84 3fga h PHE 318 N 0.03 0.00 -0.36 1.25 -1.00 -0.59 -1.71 116.94 114.55 3fga h PHE 318 Ca 0.31 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.09 3fga h PHE 318 Cb 0.48 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.02 3fga h PHE 318 CO -0.46 0.27 0.24 0.00 -1.61 0.00 0.00 178.31 176.74 3fga h ARG 319 N 0.00 0.48 0.30 1.51 3.08 -0.96 0.22 114.38 119.01 3fga h ARG 319 Ca -0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3fga h ARG 319 Cb 1.23 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.17 3fga h ARG 319 CO 0.03 0.32 -0.14 0.37 -1.07 0.00 0.00 179.97 179.48 3fga h GLN 320 N 0.49 -0.39 -1.02 0.04 5.75 -1.16 -2.95 115.11 115.88 3fga h GLN 320 Ca 0.13 0.03 0.25 0.00 -0.15 0.00 0.00 58.65 58.91 3fga h GLN 320 Cb -0.05 0.09 -0.09 0.00 1.07 0.00 0.00 27.48 28.50 3fga h GLN 320 CO -0.03 -0.05 0.66 -0.07 -2.65 0.00 0.00 178.83 176.69 3fga h LEU 321 N -0.91 0.47 0.10 -2.39 3.38 -1.09 0.35 115.31 115.22 3fga h LEU 321 Ca -0.04 0.08 0.02 0.00 0.09 0.00 0.00 57.88 58.03 3fga h LEU 321 Cb 0.51 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.24 3fga h LEU 321 CO 0.07 0.11 -0.21 0.00 0.09 0.00 0.00 178.44 178.49 3fga h ALA 322 N 1.62 -0.35 -0.80 1.53 0.00 -0.61 0.72 119.26 121.37 3fga h ALA 322 Ca 0.58 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.57 3fga h ALA 322 Cb 1.43 0.34 -0.08 0.00 0.00 0.00 0.00 17.79 19.48 3fga h ALA 322 CO -0.29 -0.74 0.43 0.87 0.00 0.00 0.00 179.25 179.52 3fga h LYS 323 N -0.39 0.67 -0.10 0.00 1.79 -0.21 -2.35 116.57 115.97 3fga h LYS 323 Ca 0.03 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.42 3fga h LYS 323 Cb 0.42 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 30.92 3fga h LYS 323 CO -0.12 0.44 -0.07 0.00 -1.08 0.00 0.00 179.45 178.62 3fga h VAL 325 N -0.17 0.95 -0.01 0.00 2.07 -0.69 -0.72 116.25 117.68 3fga h VAL 325 Ca 0.02 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.24 3fga h VAL 325 Cb 0.56 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.32 3fga h VAL 325 CO 0.02 0.16 -0.06 -1.54 0.02 0.00 0.00 177.57 176.17 3fga n SER 326 N -4.69 0.57 -4.68 0.57 3.41 -0.90 -4.76 113.62 103.14 3fga n SER 326 Ca 0.14 -0.88 -0.44 0.00 -0.26 0.00 0.00 58.87 57.43 3fga n SER 326 Cb 0.26 -0.04 -0.02 0.00 -0.26 0.00 0.00 64.21 64.15 3fga n SER 326 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3fga n SER 327 N -0.72 2.68 0.00 4.04 2.88 -0.28 -4.86 113.62 117.36 3fga n SER 327 Ca 0.18 1.17 0.11 0.00 -1.33 0.00 0.00 58.87 59.00 3fga n SER 327 Cb 0.25 -1.45 0.58 0.00 -0.75 0.00 0.00 64.21 62.85 3fga n SER 327 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 3fga n PRO 328 N 1.30 0.37 -3.15 -1.46 -0.02 -1.26 -4.54 135.00 126.24 3fga n PRO 328 Ca 0.08 0.06 -0.43 0.00 -2.02 0.00 0.00 63.50 61.20 3fga n PRO 328 Cb 0.34 -1.50 -0.07 0.00 -0.02 0.00 0.00 33.50 32.25 3fga n PRO 328 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 3fga s HIS 329 N -2.49 3.08 0.38 6.00 2.46 -1.26 -4.94 115.29 118.52 3fga s HIS 329 Ca 0.23 -0.21 0.13 0.00 0.47 0.00 0.00 55.06 55.68 3fga s HIS 329 Cb 0.15 -3.30 0.96 0.00 -0.13 0.00 0.00 32.58 30.25 3fga s HIS 329 CO 0.33 -0.88 1.84 0.27 -2.47 0.00 0.00 174.74 173.83 3fga h PHE 330 N 8.88 0.72 0.00 3.88 -0.00 -1.99 0.13 116.94 128.56 3fga h PHE 330 Ca -0.26 0.02 -0.06 0.00 -0.00 0.00 0.00 57.97 57.67 3fga h PHE 330 Cb 1.10 -0.22 -0.01 0.00 -0.00 0.00 0.00 35.95 36.82 3fga h PHE 330 CO 0.71 0.19 -0.31 1.96 -0.00 0.00 0.00 178.31 180.87 3fga h GLN 331 N 0.54 0.00 0.06 6.09 4.20 -1.96 -0.31 115.11 123.72 3fga h GLN 331 Ca 0.50 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 59.13 3fga h GLN 331 Cb 1.04 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.83 3fga h GLN 331 CO -0.23 0.31 -0.32 0.28 -0.67 0.00 0.00 178.83 178.19 3fga h VAL 332 N 0.00 1.68 0.05 -0.54 2.07 -1.17 -3.06 116.25 115.28 3fga h VAL 332 Ca -0.00 -2.42 0.01 0.00 0.82 0.00 0.00 66.70 65.10 3fga h VAL 332 Cb 0.87 3.32 -0.02 0.00 -1.52 0.00 0.00 31.29 33.95 3fga h VAL 332 CO 0.04 0.65 -0.11 0.00 0.02 0.00 0.00 177.57 178.18 3fga h ALA 333 N 0.03 -0.16 0.21 1.67 0.00 -1.07 -2.60 119.26 117.34 3fga h ALA 333 Ca -0.06 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3fga h ALA 333 Cb 1.25 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.17 3fga h ALA 333 CO 0.06 -0.61 -0.44 1.49 0.00 0.00 0.00 179.25 179.74 3fga h GLU 334 N -0.21 -0.71 -0.56 0.00 4.81 -1.19 0.10 114.58 116.82 3fga h GLU 334 Ca 0.02 0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.36 3fga h GLU 334 Cb 0.23 0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3fga h GLU 334 CO -0.07 -0.47 0.37 -0.09 -0.73 0.00 0.00 179.01 178.02 3fga h ARG 335 N -0.74 0.53 0.37 1.92 9.65 -1.51 0.76 114.38 125.37 3fga h ARG 335 Ca -0.00 -0.03 -0.02 0.00 -1.10 0.00 0.00 59.98 58.83 3fga h ARG 335 Cb 0.73 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.19 3fga h ARG 335 CO -0.20 0.35 -0.18 0.00 2.80 0.00 0.00 179.97 182.74 3fga h ALA 336 N 1.69 -0.50 -0.09 2.80 0.00 -0.99 -3.18 119.26 118.99 3fga h ALA 336 Ca 0.24 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3fga h ALA 336 Cb 0.26 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 3fga h ALA 336 CO -0.07 -0.62 0.10 -0.07 0.00 0.00 0.00 179.25 178.59 3fga h LEU 337 N -0.83 0.00 -0.84 0.00 3.38 0.47 -1.00 115.31 116.49 3fga h LEU 337 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3fga h LEU 337 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 3fga h LEU 337 CO 0.08 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.61 3fga n TYR 338 N -3.82 0.72 0.21 1.13 4.19 0.14 -2.04 117.16 117.69 3fga n TYR 338 Ca -0.01 0.31 0.12 0.00 3.31 0.00 0.00 57.90 61.63 3fga n TYR 338 Cb 0.20 -1.00 0.70 0.00 0.49 0.00 0.00 39.34 39.73 3fga n TYR 338 CO 0.00 0.00 0.00 1.88 0.91 0.00 0.00 176.86 179.65 3fga h TYR 339 N 0.00 0.00 0.00 2.98 0.99 -1.29 -2.47 116.97 117.17 3fga h TYR 339 Ca 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.72 3fga h TYR 339 Cb 0.24 0.00 -0.00 0.00 1.00 0.00 0.00 36.73 37.97 3fga h TYR 339 CO 0.00 0.00 -0.05 -1.49 -0.00 0.00 0.00 178.16 176.62 3fga h TRP 340 N 0.00 0.00 -0.18 4.88 6.55 -1.63 -2.36 115.95 123.21 3fga h TRP 340 Ca 0.05 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.89 3fga h TRP 340 Cb 0.22 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.52 3fga h TRP 340 CO 0.00 0.05 0.00 0.09 -1.05 0.00 0.00 178.44 177.53 3fga n ASN 341 N -3.18 2.21 -4.17 -3.49 5.03 -0.93 -4.68 115.26 106.06 3fga n ASN 341 Ca 0.00 -2.23 -0.37 0.00 0.87 0.00 0.00 54.58 52.85 3fga n ASN 341 Cb 0.31 -0.48 -0.12 0.00 -1.02 0.00 0.00 39.78 38.47 3fga n ASN 341 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 3fga s ASN 342 N -0.37 5.28 0.23 6.41 3.84 -0.89 -4.98 114.94 124.46 3fga s ASN 342 Ca 0.16 -1.76 -0.10 0.00 0.21 0.00 0.00 52.86 51.38 3fga s ASN 342 Cb 0.12 -1.84 0.36 0.00 -0.55 0.00 0.00 41.25 39.33 3fga s ASN 342 CO 0.06 -0.49 1.63 1.05 -2.79 0.00 0.00 177.10 176.56 3fga h GLU 343 N 8.13 0.06 -0.12 0.43 -0.00 -1.87 0.19 114.58 121.40 3fga h GLU 343 Ca -0.17 -0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.16 3fga h GLU 343 Cb 1.06 -0.01 -0.00 0.00 -0.00 0.00 0.00 28.75 29.79 3fga h GLU 343 CO 0.68 0.04 -0.04 -0.92 -0.00 0.00 0.00 179.01 178.78 3fga h TYR 344 N 0.07 0.26 -0.14 2.06 3.20 -1.96 -1.72 116.97 118.75 3fga h TYR 344 Ca 0.37 -0.06 0.03 0.00 3.14 0.00 0.00 58.73 62.21 3fga h TYR 344 Cb 0.62 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.79 3fga h TYR 344 CO -0.46 0.54 -0.05 0.82 -1.64 0.00 0.00 178.16 177.37 3fga h ILE 345 N -0.09 0.82 -0.88 1.81 2.04 -1.77 -2.29 117.51 117.14 3fga h ILE 345 Ca 0.03 0.00 0.18 0.00 1.00 0.00 0.00 64.86 66.07 3fga h ILE 345 Cb 0.46 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.29 3fga h ILE 345 CO 0.01 0.00 0.58 -0.03 0.00 0.00 0.00 178.15 178.71 3fga h MET 346 N -0.03 0.49 -0.03 2.37 4.05 -0.55 -0.04 114.93 121.19 3fga h MET 346 Ca 0.07 -0.03 -0.25 0.00 -0.28 0.00 0.00 59.70 59.21 3fga h MET 346 Cb 0.14 -0.11 0.02 0.00 -0.80 0.00 0.00 31.60 30.84 3fga h MET 346 CO -0.16 0.33 -0.97 0.66 0.23 0.00 0.00 176.91 177.00 3fga h SER 347 N 0.51 0.84 -0.68 1.39 4.64 -0.96 -1.81 113.55 117.48 3fga h SER 347 Ca 0.45 -0.65 0.00 0.00 -0.47 0.00 0.00 61.79 61.13 3fga h SER 347 Cb 0.98 -0.26 -0.03 0.00 -0.31 0.00 0.00 62.40 62.78 3fga h SER 347 CO -0.19 1.45 0.44 -0.07 -0.87 0.00 0.00 176.83 177.59 3fga h LEU 348 N 0.39 0.80 -0.16 5.97 3.38 -0.71 0.22 115.31 125.20 3fga h LEU 348 Ca -0.10 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.85 3fga h LEU 348 Cb 1.61 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 3fga h LEU 348 CO 0.19 0.59 0.08 0.40 0.09 0.00 0.00 178.44 179.79 3fga h ILE 349 N 0.93 1.00 0.15 1.22 1.08 -1.02 -3.21 117.51 117.66 3fga h ILE 349 Ca 0.25 -0.06 0.02 0.00 -0.39 0.00 0.00 64.86 64.67 3fga h ILE 349 Cb -0.08 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.44 3fga h ILE 349 CO -0.05 0.03 -0.31 0.28 -0.69 0.00 0.00 178.15 177.41 3fga h SER 350 N 0.18 -0.89 -0.57 1.72 0.02 -0.12 -0.52 113.55 113.38 3fga h SER 350 Ca 0.06 0.10 -0.38 0.00 -0.84 0.00 0.00 61.79 60.73 3fga h SER 350 Cb 0.01 0.33 -0.17 0.00 0.14 0.00 0.00 62.40 62.71 3fga h SER 350 CO -0.04 -0.41 0.49 -0.90 -1.14 0.00 0.00 176.83 174.84 3fga n ASP 351 N -5.41 6.53 -0.16 3.07 5.75 -0.31 -2.76 116.55 123.25 3fga n ASP 351 Ca -0.07 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 51.53 3fga n ASP 351 Cb 0.32 -1.03 0.00 0.00 -1.03 0.00 0.00 41.12 39.39 3fga n ASP 351 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3fga n ASN 352 N 0.10 0.00 0.12 -1.12 3.02 -0.87 -4.98 115.26 111.53 3fga n ASN 352 Ca 0.36 -1.08 0.14 0.00 -0.03 0.00 0.00 54.58 53.97 3fga n ASN 352 Cb 0.62 -0.02 0.67 0.00 -0.61 0.00 0.00 39.78 40.44 3fga n ASN 352 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3fga h ALA 353 N 0.00 2.26 -0.87 5.41 0.00 -0.93 -1.42 119.26 123.71 3fga h ALA 353 Ca 0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 3fga h ALA 353 Cb 1.03 0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.70 3fga h ALA 353 CO 0.00 -0.34 -0.39 0.00 0.00 0.00 0.00 179.25 178.52 3fga h ALA 354 N 1.86 0.03 0.17 0.00 0.00 -1.86 -2.92 119.26 116.54 3fga h ALA 354 Ca 0.13 0.23 -0.35 0.00 0.00 0.00 0.00 54.91 54.92 3fga h ALA 354 Cb 0.52 0.98 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3fga h ALA 354 CO -0.00 -0.68 -1.79 0.87 0.00 0.00 0.00 179.25 177.65 3fga h LYS 355 N -0.06 0.37 -0.08 0.00 1.79 -1.65 -3.40 116.57 113.54 3fga h LYS 355 Ca 0.29 -0.63 -0.22 0.00 -2.18 0.00 0.00 60.65 57.92 3fga h LYS 355 Cb 0.57 0.23 0.01 0.00 -1.58 0.00 0.00 32.23 31.46 3fga h LYS 355 CO -0.89 1.29 -0.83 0.82 -1.08 0.00 0.00 179.45 178.76 3fga h ILE 356 N 0.10 1.33 -0.29 1.86 2.04 -1.53 -3.38 117.51 117.65 3fga h ILE 356 Ca -0.36 -2.15 -0.17 0.00 1.00 0.00 0.00 64.86 63.18 3fga h ILE 356 Cb 2.09 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 40.33 3fga h ILE 356 CO 0.16 0.66 -0.48 0.25 0.00 0.00 0.00 178.15 178.75 3fga h LEU 357 N 0.38 0.92 -1.83 1.44 6.46 -1.73 -1.98 115.31 118.96 3fga h LEU 357 Ca -0.06 -0.52 0.00 0.00 -0.12 0.00 0.00 57.88 57.18 3fga h LEU 357 Cb 1.44 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 41.11 3fga h LEU 357 CO 0.16 1.26 0.00 -0.65 -0.62 0.00 0.00 178.44 178.59 3fga h PRO 358 N 0.60 0.00 0.04 5.25 0.11 -1.80 -0.80 132.00 135.41 3fga h PRO 358 Ca 0.02 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.81 3fga h PRO 358 Cb 1.08 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3fga h PRO 358 CO 0.11 0.00 -1.89 0.44 -0.21 0.00 0.00 178.00 176.45 3fga n ILE 359 N -2.83 1.64 0.07 4.15 -5.35 -1.07 -4.26 119.36 111.72 3fga n ILE 359 Ca -0.01 -0.75 -0.09 0.00 -0.27 0.00 0.00 62.75 61.63 3fga n ILE 359 Cb 0.18 -1.21 0.01 0.00 -1.74 0.00 0.00 39.64 36.88 3fga n ILE 359 CO 0.00 0.00 0.00 0.24 -1.76 0.00 0.00 176.55 175.03 3fga h MET 360 N 0.02 0.30 0.13 6.28 2.86 -1.16 -3.39 114.93 119.97 3fga h MET 360 Ca -0.36 -0.28 -0.01 0.00 -2.06 0.00 0.00 59.70 56.98 3fga h MET 360 Cb 2.04 0.07 0.00 0.00 0.06 0.00 0.00 31.60 33.77 3fga h MET 360 CO 0.07 0.96 -0.06 0.35 1.06 0.00 0.00 176.91 179.29 3fga h PHE 361 N 0.19 -0.16 -0.95 -0.22 3.57 -1.32 -2.91 116.94 115.13 3fga h PHE 361 Ca -0.04 -0.00 0.11 0.00 3.53 0.00 0.00 57.97 61.57 3fga h PHE 361 Cb 1.41 0.05 -0.08 0.00 2.79 0.00 0.00 35.95 40.12 3fga h PHE 361 CO 0.04 -0.06 0.58 -1.35 -2.23 0.00 0.00 178.31 175.29 3fga h PRO 362 N -0.23 0.90 0.55 6.41 0.11 -1.77 -1.32 132.00 136.66 3fga h PRO 362 Ca -0.02 -0.05 -0.02 0.00 0.11 0.00 0.00 66.00 66.02 3fga h PRO 362 Cb 0.18 -0.20 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3fga h PRO 362 CO 0.03 0.60 -0.47 0.77 -0.21 0.00 0.00 178.00 178.72 3fga h SER 363 N 0.93 -1.25 1.03 -2.05 0.02 -1.75 -1.27 113.55 109.22 3fga h SER 363 Ca 0.47 0.09 0.00 0.00 -0.84 0.00 0.00 61.79 61.51 3fga h SER 363 Cb 0.46 0.40 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3fga h SER 363 CO -0.27 -0.65 0.00 0.00 -1.14 0.00 0.00 176.83 174.78 3fga n LEU 364 N -5.30 0.46 -0.05 5.07 -0.00 -1.13 -2.86 117.00 113.20 3fga n LEU 364 Ca -0.12 0.57 -0.14 0.00 -0.00 0.00 0.00 56.01 56.32 3fga n LEU 364 Cb 0.44 -0.45 -0.08 0.00 -0.00 0.00 0.00 43.42 43.33 3fga n LEU 364 CO 0.27 -0.24 0.52 0.22 -0.00 0.00 0.00 177.39 178.15 3fga h TYR 365 N 0.00 0.48 -0.01 1.47 3.20 -0.89 -3.04 116.97 118.19 3fga h TYR 365 Ca 0.00 -0.18 0.00 0.00 3.14 0.00 0.00 58.73 61.70 3fga h TYR 365 Cb 0.51 -0.09 -0.00 0.00 1.54 0.00 0.00 36.73 38.69 3fga h TYR 365 CO 0.00 0.87 0.03 0.00 -1.64 0.00 0.00 178.16 177.42 3fga h ARG 366 N -0.04 0.00 -0.36 1.82 3.08 -1.09 -2.20 114.38 115.59 3fga h ARG 366 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3fga h ARG 366 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 3fga h ARG 366 CO 0.06 0.00 0.00 0.09 -1.07 0.00 0.00 179.97 179.05 3fga n ASN 367 N -3.30 3.02 0.04 7.04 3.02 -1.22 -4.41 115.26 119.45 3fga n ASN 367 Ca -0.03 -1.91 -0.17 0.00 -0.03 0.00 0.00 54.58 52.44 3fga n ASN 367 Cb 0.11 -0.24 -0.14 0.00 -0.61 0.00 0.00 39.78 38.89 3fga n ASN 367 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3fga h SER 368 N 2.82 0.35 -0.75 6.41 4.64 -1.27 -3.36 113.55 122.39 3fga h SER 368 Ca 0.00 -0.58 0.03 0.00 -0.47 0.00 0.00 61.79 60.77 3fga h SER 368 Cb 0.77 -0.12 -0.04 0.00 -0.31 0.00 0.00 62.40 62.71 3fga h SER 368 CO 0.00 1.50 0.50 0.11 -0.87 0.00 0.00 176.83 178.06 3fga h LYS 369 N 0.06 0.90 -1.88 4.77 1.79 -1.77 -3.45 116.57 116.98 3fga h LYS 369 Ca -0.30 -0.05 0.02 0.00 -2.18 0.00 0.00 60.65 58.14 3fga h LYS 369 Cb 2.03 -0.20 -0.20 0.00 -1.58 0.00 0.00 32.23 32.27 3fga h LYS 369 CO 0.13 0.60 0.38 -0.08 -1.08 0.00 0.00 179.45 179.41 3fga s THR 370 N -5.80 0.00 -0.27 -0.16 -1.32 -1.26 -5.18 115.64 101.65 3fga s THR 370 Ca -0.11 0.00 -0.24 0.00 -1.21 0.00 0.00 61.69 60.13 3fga s THR 370 Cb 0.18 -1.00 0.08 0.00 -1.51 0.00 0.00 72.50 70.26 3fga s THR 370 CO 0.78 0.00 0.79 -2.28 -2.21 0.00 0.00 174.62 171.70 3fga s HIS 371 N -1.49 -0.74 0.32 9.09 2.46 -1.26 -4.73 115.29 118.92 3fga s HIS 371 Ca -0.04 1.77 0.15 0.00 0.47 0.00 0.00 55.06 57.40 3fga s HIS 371 Cb -0.00 0.32 0.70 0.00 -0.13 0.00 0.00 32.58 33.47 3fga s HIS 371 CO 0.03 -0.36 1.79 0.11 -2.47 0.00 0.00 174.74 173.84 3fga h TRP 372 N 5.03 0.00 -3.61 3.88 5.08 -1.99 -3.42 115.95 120.93 3fga h TRP 372 Ca -0.29 0.00 -0.66 0.00 1.08 0.00 0.00 58.89 59.02 3fga h TRP 372 Cb 1.17 0.00 -0.24 0.00 -3.00 0.00 0.00 29.16 27.09 3fga h TRP 372 CO 0.34 0.40 -0.63 1.21 -1.28 0.00 0.00 178.44 178.48 3fga s ASN 373 N -6.75 5.09 0.20 0.11 2.47 -1.26 -5.00 114.94 109.80 3fga s ASN 373 Ca -0.02 -0.36 -0.04 0.00 0.42 0.00 0.00 52.86 52.86 3fga s ASN 373 Cb 0.13 -1.90 0.15 0.00 -1.45 0.00 0.00 41.25 38.18 3fga s ASN 373 CO 0.71 -0.08 1.57 0.11 -3.72 0.00 0.00 177.10 175.69 3fga h LYS 374 N 8.24 0.68 -0.22 0.43 1.57 -1.99 -1.52 116.57 123.75 3fga h LYS 374 Ca -0.37 -0.34 -0.00 0.00 -1.87 0.00 0.00 60.65 58.08 3fga h LYS 374 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 3fga h LYS 374 CO 0.59 0.94 0.13 1.15 -0.57 0.00 0.00 179.45 181.69 3fga h THR 375 N 0.56 1.09 0.00 -0.16 2.02 -1.98 0.53 112.91 114.98 3fga h THR 375 Ca 0.05 -0.23 -0.12 0.00 0.77 0.00 0.00 66.41 66.89 3fga h THR 375 Cb 0.90 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3fga h THR 375 CO 0.08 0.09 -0.57 0.16 0.37 0.00 0.00 175.52 175.65 3fga h ILE 376 N 0.26 1.08 -0.45 3.11 3.07 -1.95 -1.22 117.51 121.42 3fga h ILE 376 Ca 0.08 -2.23 0.06 0.00 1.55 0.00 0.00 64.86 64.32 3fga h ILE 376 Cb 0.03 2.33 -0.05 0.00 -0.27 0.00 0.00 36.82 38.86 3fga h ILE 376 CO -0.01 0.56 0.14 -0.74 -1.05 0.00 0.00 178.15 177.05 3fga h HIS 377 N 0.00 0.25 -0.81 0.16 2.76 -0.81 0.15 115.15 116.86 3fga h HIS 377 Ca -0.01 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.23 3fga h HIS 377 Cb 1.29 -0.05 -0.05 0.00 1.55 0.00 0.00 27.41 30.15 3fga h HIS 377 CO 0.00 0.08 0.53 0.78 -1.30 0.00 0.00 177.93 178.02 3fga h GLY 378 N 0.31 1.14 1.95 5.26 0.00 -0.44 -2.59 103.07 108.70 3fga h GLY 378 Ca 0.21 -0.38 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 3fga h GLY 378 CO -0.23 0.32 -0.85 1.41 0.00 0.00 0.00 176.54 177.19 3fga h LEU 379 N 0.97 0.06 -0.13 3.11 3.38 -0.45 -2.61 115.31 119.64 3fga h LEU 379 Ca 0.33 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 58.02 3fga h LEU 379 Cb 0.09 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3fga h LEU 379 CO -0.10 0.88 -0.99 -0.29 0.09 0.00 0.00 178.44 178.03 3fga h ILE 380 N 0.02 1.41 -0.66 1.22 -0.00 -0.84 -1.75 117.51 116.91 3fga h ILE 380 Ca -0.02 -2.53 0.07 0.00 -0.00 0.00 0.00 64.86 62.38 3fga h ILE 380 Cb 1.50 2.50 -0.06 0.00 -0.00 0.00 0.00 36.82 40.76 3fga h ILE 380 CO 0.12 0.75 0.35 1.88 -0.00 0.00 0.00 178.15 181.25 3fga h TYR 381 N 0.21 0.65 -0.52 2.19 0.99 -1.49 -0.78 116.97 118.21 3fga h TYR 381 Ca -0.09 0.03 -0.08 0.00 2.00 0.00 0.00 58.73 60.59 3fga h TYR 381 Cb 1.64 -0.19 -0.02 0.00 1.00 0.00 0.00 36.73 39.15 3fga h TYR 381 CO 0.06 0.29 0.00 -0.97 -0.00 0.00 0.00 178.16 177.55 3fga h ASN 382 N 0.65 0.85 -0.35 3.88 -1.24 -1.41 -2.64 115.58 115.32 3fga h ASN 382 Ca 0.30 -0.22 -0.15 0.00 0.71 0.00 0.00 56.30 56.94 3fga h ASN 382 Cb 0.22 -0.23 -0.00 0.00 0.73 0.00 0.00 38.32 39.04 3fga h ASN 382 CO -0.20 0.91 -0.38 0.00 -1.29 0.00 0.00 177.43 176.47 3fga h ALA 383 N 1.18 0.51 -0.56 1.57 0.00 -0.91 -2.22 119.26 118.83 3fga h ALA 383 Ca 0.15 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 3fga h ALA 383 Cb 0.49 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 3fga h ALA 383 CO 0.02 0.61 0.24 -0.07 0.00 0.00 0.00 179.25 180.06 3fga h LEU 384 N 0.67 0.72 -0.31 0.00 3.38 -1.13 -2.71 115.31 115.92 3fga h LEU 384 Ca 0.05 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3fga h LEU 384 Cb 0.98 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.53 3fga h LEU 384 CO 0.09 0.63 0.14 0.50 0.09 0.00 0.00 178.44 179.90 3fga h LYS 385 N 0.79 0.46 0.00 1.13 3.64 -1.12 -2.91 116.57 118.55 3fga h LYS 385 Ca 0.19 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.50 3fga h LYS 385 Cb 0.13 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3fga h LYS 385 CO -0.02 0.45 0.00 -0.07 -2.27 0.00 0.00 179.45 177.53 3fga h LEU 386 N 0.36 0.00 0.24 5.20 3.38 -1.10 -2.73 115.31 120.66 3fga h LEU 386 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 3fga h LEU 386 Cb 0.15 0.00 0.04 0.00 0.09 0.00 0.00 40.66 40.93 3fga h LEU 386 CO -0.01 0.00 -1.46 -0.26 0.09 0.00 0.00 178.44 176.80 3fga h PHE 387 N 0.00 0.93 -0.15 1.13 -1.00 -1.32 -3.24 116.94 113.29 3fga h PHE 387 Ca 0.00 -0.68 -0.12 0.00 2.81 0.00 0.00 57.97 59.98 3fga h PHE 387 Cb 0.43 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.95 3fga h PHE 387 CO 0.00 1.56 -0.42 0.52 -1.61 0.00 0.00 178.31 178.36 3fga h MET 388 N 0.10 0.36 0.00 1.51 2.86 -1.33 -2.63 114.93 115.80 3fga h MET 388 Ca -0.26 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 3fga h MET 388 Cb 2.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.79 3fga h MET 388 CO 0.26 0.72 0.00 0.93 1.06 0.00 0.00 176.91 179.88 3fga h GLU 389 N 0.30 0.00 0.08 1.72 5.08 -1.58 -2.66 114.58 117.52 3fga h GLU 389 Ca 0.02 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 3fga h GLU 389 Cb 0.87 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.12 3fga h GLU 389 CO 0.07 0.00 -0.69 0.52 -1.00 0.00 0.00 179.01 177.91 3fga h MET 390 N 0.00 0.17 -1.53 2.33 2.86 -1.49 -3.45 114.93 113.81 3fga h MET 390 Ca 0.00 -0.29 -0.02 0.00 -2.06 0.00 0.00 59.70 57.34 3fga h MET 390 Cb 0.18 0.11 -0.25 0.00 0.06 0.00 0.00 31.60 31.71 3fga h MET 390 CO 0.00 1.14 -0.34 1.21 1.06 0.00 0.00 176.91 179.97 3fga s ASN 391 N -6.73 -0.67 -0.35 1.22 2.47 -1.16 -5.09 114.94 104.61 3fga s ASN 391 Ca -0.18 0.70 -0.36 0.00 0.42 0.00 0.00 52.86 53.44 3fga s ASN 391 Cb 0.01 1.72 -0.12 0.00 -1.45 0.00 0.00 41.25 41.41 3fga s ASN 391 CO 0.75 -0.27 2.15 1.67 -3.72 0.00 0.00 177.10 177.69 3fga n GLN 392 N 5.40 0.98 -3.87 0.43 -0.06 -1.01 -4.64 117.38 114.62 3fga n GLN 392 Ca -0.03 0.28 -0.29 0.00 -2.00 0.00 0.00 57.00 54.95 3fga n GLN 392 Cb 0.50 -2.34 -0.13 0.00 -4.06 0.00 0.00 30.24 24.21 3fga n GLN 392 CO 0.00 0.00 0.00 -1.59 -0.20 0.00 0.00 177.06 175.27 3fga s LYS 393 N 6.01 1.93 0.00 3.69 -2.85 -1.26 -4.91 119.74 122.34 3fga s LYS 393 Ca 1.10 -2.68 0.00 0.00 -1.00 0.00 0.00 55.97 53.39 3fga s LYS 393 Cb -0.94 -3.08 0.00 0.00 -2.06 0.00 0.00 37.83 31.75 3fga s LYS 393 CO 0.52 -1.18 0.42 1.28 0.10 0.00 0.00 175.35 176.49 3fga n LEU 394 N 2.88 0.90 -4.58 2.77 4.77 -1.26 -4.73 117.00 117.76 3fga n LEU 394 Ca 0.10 -0.45 -0.36 0.00 -0.03 0.00 0.00 56.01 55.28 3fga n LEU 394 Cb 0.34 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.02 3fga n LEU 394 CO 0.29 0.21 1.72 -0.36 -1.33 0.00 0.00 177.39 177.92 3fga s PHE 395 N -0.89 2.36 -0.46 -1.77 0.40 -1.26 -4.66 117.98 111.69 3fga s PHE 395 Ca 0.00 -0.56 0.14 0.00 -0.60 0.00 0.00 56.93 55.92 3fga s PHE 395 Cb 0.00 -4.38 0.78 0.00 0.51 0.00 0.00 43.02 39.92 3fga s PHE 395 CO 0.00 -1.53 1.68 -0.25 0.70 0.00 0.00 175.22 175.83 3fga n ASP 396 N 11.38 5.39 -3.56 1.36 8.00 -1.26 -4.34 116.55 133.52 3fga n ASP 396 Ca 0.46 -2.80 -0.39 0.00 0.71 0.00 0.00 54.79 52.77 3fga n ASP 396 Cb 0.46 -0.66 -0.02 0.00 -0.02 0.00 0.00 41.12 40.88 3fga n ASP 396 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 3fga n ASP 397 N 0.71 4.41 -0.13 -2.24 5.75 -1.26 -3.36 116.55 120.44 3fga n ASP 397 Ca 0.26 -2.68 -0.24 0.00 -0.01 0.00 0.00 54.79 52.13 3fga n ASP 397 Cb 1.11 -1.41 -0.10 0.00 -1.03 0.00 0.00 41.12 39.69 3fga n ASP 397 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3fga h THR 399 N -0.60 0.00 -0.41 0.00 1.03 -1.96 -2.42 112.91 108.54 3fga h THR 399 Ca -0.61 -0.44 -0.07 0.00 -0.01 0.00 0.00 66.41 65.28 3fga h THR 399 Cb 1.66 1.32 -0.02 0.00 -1.07 0.00 0.00 68.15 70.05 3fga h THR 399 CO -0.29 0.00 -0.02 1.56 -0.01 0.00 0.00 175.52 176.77 3fga h GLN 400 N 0.00 0.67 -0.07 0.00 4.20 -1.79 -2.67 115.11 115.44 3fga h GLN 400 Ca 0.00 -0.17 -0.20 0.00 0.06 0.00 0.00 58.65 58.34 3fga h GLN 400 Cb 0.53 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 3fga h GLN 400 CO 0.00 0.70 -0.78 1.96 -0.67 0.00 0.00 178.83 180.04 3fga h GLN 401 N 0.63 0.47 0.00 1.46 4.20 -1.67 -2.78 115.11 117.41 3fga h GLN 401 Ca 0.13 -0.40 0.00 0.00 0.06 0.00 0.00 58.65 58.43 3fga h GLN 401 Cb 0.42 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.29 3fga h GLN 401 CO 0.02 1.04 0.00 0.74 -0.67 0.00 0.00 178.83 179.96 3fga h PHE 402 N 0.31 0.00 0.04 2.96 0.05 -1.21 -1.02 116.94 118.07 3fga h PHE 402 Ca -0.04 0.00 -0.36 0.00 3.82 0.00 0.00 57.97 61.39 3fga h PHE 402 Cb 1.38 0.00 -0.05 0.00 2.00 0.00 0.00 35.95 39.28 3fga h PHE 402 CO 0.05 0.00 -2.04 1.17 -0.18 0.00 0.00 178.31 177.31 3fga n LYS 403 N -2.40 0.65 -0.07 1.51 0.00 -1.05 -3.44 118.16 113.36 3fga n LYS 403 Ca -0.01 0.32 0.25 0.00 0.00 0.00 0.00 58.31 58.87 3fga n LYS 403 Cb 0.09 -1.63 0.71 0.00 0.00 0.00 0.00 35.03 34.21 3fga n LYS 403 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 3fga h ALA 404 N -0.33 2.55 0.00 3.14 0.00 -1.10 0.15 119.26 123.67 3fga h ALA 404 Ca -0.50 -0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.14 3fga h ALA 404 Cb 1.72 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 19.53 3fga h ALA 404 CO -0.14 -0.99 -1.24 0.93 0.00 0.00 0.00 179.25 177.81 3fga h GLU 405 N 0.00 0.00 -0.39 0.00 5.08 -1.36 -2.45 114.58 115.45 3fga h GLU 405 Ca 0.34 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.55 3fga h GLU 405 Cb 1.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.82 3fga h GLU 405 CO -0.00 0.83 -0.33 -0.22 -1.00 0.00 0.00 179.01 178.28 3fga h LYS 406 N 0.00 0.89 -0.25 2.33 3.11 -0.79 -2.36 116.57 119.49 3fga h LYS 406 Ca -0.10 -0.43 -0.10 0.00 -2.81 0.00 0.00 60.65 57.21 3fga h LYS 406 Cb 1.85 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 33.08 3fga h LYS 406 CO 0.11 1.08 -0.23 -0.07 -2.81 0.00 0.00 179.45 177.53 3fga h LEU 407 N 0.74 0.63 -1.83 5.20 3.38 -1.29 -2.07 115.31 120.07 3fga h LEU 407 Ca 0.07 -0.47 0.06 0.00 0.09 0.00 0.00 57.88 57.63 3fga h LEU 407 Cb 0.90 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3fga h LEU 407 CO 0.08 0.97 0.23 0.11 0.09 0.00 0.00 178.44 179.92 3fga h LYS 408 N 0.30 0.20 0.00 1.13 1.57 -1.44 -0.35 116.57 117.98 3fga h LYS 408 Ca 0.04 -0.01 -0.18 0.00 -1.87 0.00 0.00 60.65 58.63 3fga h LYS 408 Cb 0.78 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.02 3fga h LYS 408 CO 0.06 0.13 -0.85 0.93 -0.57 0.00 0.00 179.45 179.15 3fga h GLU 409 N 0.21 0.00 -0.03 3.15 5.08 -1.23 -2.30 114.58 119.46 3fga h GLU 409 Ca 0.15 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.32 3fga h GLU 409 Cb 0.32 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3fga h GLU 409 CO -0.03 0.85 -0.81 0.87 -1.00 0.00 0.00 179.01 178.89 3fga h LYS 410 N 0.00 0.30 -0.36 2.33 1.79 -0.54 -2.27 116.57 117.82 3fga h LYS 410 Ca -0.01 -0.29 -0.14 0.00 -2.18 0.00 0.00 60.65 58.03 3fga h LYS 410 Cb 1.57 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.28 3fga h LYS 410 CO 0.11 0.96 -0.34 1.37 -1.08 0.00 0.00 179.45 180.47 3fga h LEU 411 N 0.19 0.86 0.73 2.94 8.10 -1.15 -2.68 115.31 124.29 3fga h LEU 411 Ca -0.04 -0.37 -0.03 0.00 0.11 0.00 0.00 57.88 57.55 3fga h LEU 411 Cb 1.41 -0.24 -0.01 0.00 -0.44 0.00 0.00 40.66 41.38 3fga h LEU 411 CO 0.13 1.12 -0.49 0.11 -4.11 0.00 0.00 178.44 175.21 3fga h LYS 412 N 0.68 -1.11 0.00 0.17 1.57 -1.37 -1.39 116.57 115.12 3fga h LYS 412 Ca 0.07 0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.89 3fga h LYS 412 Cb 0.90 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 33.46 3fga h LYS 412 CO 0.08 -0.74 -0.15 0.52 -0.57 0.00 0.00 179.45 178.59 3fga h MET 413 N -1.15 0.00 0.00 3.15 2.86 -1.46 -1.05 114.93 117.28 3fga h MET 413 Ca -0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3fga h MET 413 Cb 0.94 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.60 3fga h MET 413 CO 0.07 0.15 -0.12 0.87 1.06 0.00 0.00 176.91 178.94 3fga h LYS 414 N 0.00 0.00 -0.02 1.72 1.57 -1.41 -2.98 116.57 115.45 3fga h LYS 414 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3fga h LYS 414 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3fga h LYS 414 CO 0.02 0.00 -0.27 0.93 -0.57 0.00 0.00 179.45 179.56 3fga h GLU 415 N 0.00 0.22 -0.75 3.15 5.08 -0.04 -3.26 114.58 118.97 3fga h GLU 415 Ca 0.00 -0.21 0.06 0.00 -1.00 0.00 0.00 59.36 58.21 3fga h GLU 415 Cb 0.97 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.23 3fga h GLU 415 CO 0.00 0.91 0.50 0.00 -1.00 0.00 0.00 179.01 179.41 3fga h ARG 416 N -0.40 0.81 -0.26 2.33 2.47 -1.48 -1.76 114.38 116.09 3fga h ARG 416 Ca -0.03 -0.05 0.06 0.00 -1.26 0.00 0.00 59.98 58.70 3fga h ARG 416 Cb 0.99 -0.18 -0.06 0.00 -1.65 0.00 0.00 29.97 29.07 3fga h ARG 416 CO 0.05 0.53 -0.12 1.49 0.56 0.00 0.00 179.97 182.49 3fga h GLU 417 N 0.83 -0.08 -0.70 0.04 4.81 -1.61 -0.54 114.58 117.33 3fga h GLU 417 Ca 0.32 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.55 3fga h GLU 417 Cb 0.20 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3fga h GLU 417 CO -0.10 -0.05 0.43 0.93 -0.73 0.00 0.00 179.01 179.48 3fga h GLU 418 N -0.08 0.95 -0.02 1.92 5.08 -1.38 -1.48 114.58 119.56 3fga h GLU 418 Ca 0.14 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.42 3fga h GLU 418 Cb 0.29 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 3fga h GLU 418 CO -0.32 0.67 0.01 0.00 -1.00 0.00 0.00 179.01 178.37 3fga h ALA 419 N 1.23 0.03 -0.73 3.43 0.00 -0.96 -2.32 119.26 119.94 3fga h ALA 419 Ca 0.25 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3fga h ALA 419 Cb -0.04 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3fga h ALA 419 CO -0.05 -0.37 0.28 -1.49 0.00 0.00 0.00 179.25 177.62 3fga h TRP 420 N -0.17 1.11 -0.09 0.00 4.06 -1.04 -0.87 115.95 118.95 3fga h TRP 420 Ca 0.01 -0.08 0.00 0.00 2.06 0.00 0.00 58.89 60.87 3fga h TRP 420 Cb 0.21 -0.33 0.00 0.00 -1.00 0.00 0.00 29.16 28.04 3fga h TRP 420 CO -0.00 0.85 0.00 0.28 -3.56 0.00 0.00 178.44 176.01 3fga n VAL 421 N -4.28 0.19 0.00 1.49 0.31 -0.56 -2.05 118.33 113.43 3fga n VAL 421 Ca 0.06 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 3fga n VAL 421 Cb 0.19 -0.06 0.01 0.00 -0.91 0.00 0.00 33.84 33.07 3fga n VAL 421 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3fga n LYS 422 N -0.14 1.69 0.03 5.55 4.81 -0.35 -4.57 118.16 125.18 3fga n LYS 422 Ca 0.03 -1.21 0.01 0.00 -0.87 0.00 0.00 58.31 56.28 3fga n LYS 422 Cb 0.15 -1.02 0.35 0.00 0.02 0.00 0.00 35.03 34.53 3fga n LYS 422 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 3fga h ILE 423 N 0.15 1.17 -1.79 3.15 2.04 -1.14 -3.36 117.51 117.73 3fga h ILE 423 Ca 0.00 -0.66 -0.47 0.00 1.00 0.00 0.00 64.86 64.73 3fga h ILE 423 Cb 0.35 0.93 -0.03 0.00 -0.74 0.00 0.00 36.82 37.34 3fga h ILE 423 CO 0.00 0.23 1.34 -1.61 0.00 0.00 0.00 178.15 178.11 3fga s GLU 424 N -5.01 2.49 0.46 2.37 8.01 -1.26 -4.82 118.70 120.95 3fga s GLU 424 Ca -0.07 0.71 0.02 0.00 0.01 0.00 0.00 54.97 55.64 3fga s GLU 424 Cb 0.16 -4.48 -0.02 0.00 -4.31 0.00 0.00 34.13 25.48 3fga s GLU 424 CO 0.75 -2.93 0.05 0.54 0.01 0.00 0.00 175.26 173.69 3fga s ASN 425 N 8.99 3.57 0.00 -0.19 4.22 -1.26 -5.09 114.94 125.18 3fga s ASN 425 Ca 0.74 -1.65 0.04 0.00 -2.14 0.00 0.00 52.86 49.84 3fga s ASN 425 Cb -0.13 0.48 0.03 0.00 1.28 0.00 0.00 41.25 42.91 3fga s ASN 425 CO 0.20 -0.87 0.62 0.00 -2.04 0.00 0.00 177.10 175.01