#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gpw n THR 5 N 0.00-12.52 -1.56 1.12 -1.04 -1.26 -4.68 114.28 94.35 3gpw n THR 5 Ca 0.00 3.40 -0.48 0.00 -2.04 0.00 0.00 64.05 64.93 3gpw n THR 5 Cb 0.00 -5.26 -0.05 0.00 -1.82 0.00 0.00 70.33 63.20 3gpw n THR 5 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 3gpw n ASP 6 N 1.74 2.78 -1.22 8.00 4.64 -1.26 -4.77 116.55 126.46 3gpw n ASP 6 Ca 0.00 0.52 0.09 0.00 -1.38 0.00 0.00 54.79 54.02 3gpw n ASP 6 Cb 0.00 -1.36 0.29 0.00 -1.04 0.00 0.00 41.12 39.00 3gpw n ASP 6 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 3gpw n ARG 7 N 7.87 3.16 -2.75 -0.67 1.74 -1.26 -4.69 116.66 120.06 3gpw n ARG 7 Ca 0.33 -2.61 -0.43 0.00 -0.77 0.00 0.00 57.85 54.36 3gpw n ARG 7 Cb 0.30 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3gpw n ARG 7 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 3gpw n TYR 8 N 0.99 3.47 -0.17 -1.55 4.01 -1.26 -4.76 117.16 117.89 3gpw n TYR 8 Ca 0.22 -2.99 0.08 0.00 -0.16 0.00 0.00 57.90 55.05 3gpw n TYR 8 Cb 0.70 -1.80 0.29 0.00 -0.31 0.00 0.00 39.34 38.22 3gpw n TYR 8 CO 0.00 0.00 0.00 -1.13 -0.46 0.00 0.00 176.86 175.27 3gpw n SER 9 N 3.47 3.90 -4.57 7.72 3.41 -1.26 -1.11 113.62 125.19 3gpw n SER 9 Ca 0.34 -2.32 -0.25 0.00 -0.26 0.00 0.00 58.87 56.38 3gpw n SER 9 Cb 0.37 -0.51 -0.09 0.00 -0.26 0.00 0.00 64.21 63.72 3gpw n SER 9 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 175.04 175.60 3gpw s PHE 10 N -1.72 2.58 0.57 7.33 -0.12 -1.26 -4.51 117.98 120.85 3gpw s PHE 10 Ca 0.42 -0.25 -0.20 0.00 -0.05 0.00 0.00 56.93 56.85 3gpw s PHE 10 Cb 0.26 -1.21 -0.04 0.00 -0.63 0.00 0.00 43.02 41.40 3gpw s PHE 10 CO 0.21 0.57 1.29 -1.12 -0.05 0.00 0.00 175.22 176.12 3gpw s SER 11 N -3.15 5.18 0.00 1.98 0.01 -1.26 -1.49 113.70 114.96 3gpw s SER 11 Ca 0.27 2.60 0.12 0.00 1.31 0.00 0.00 55.95 60.26 3gpw s SER 11 Cb -0.08 -2.62 -0.01 0.00 0.21 0.00 0.00 66.02 63.52 3gpw s SER 11 CO 0.16 -1.62 0.69 0.18 0.41 0.00 0.00 173.24 173.06 3gpw n LEU 12 N -1.31 1.27 -4.11 2.44 4.77 -1.26 -4.83 117.00 113.97 3gpw n LEU 12 Ca 0.12 -0.74 -0.33 0.00 -0.03 0.00 0.00 56.01 55.03 3gpw n LEU 12 Cb 0.47 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 3gpw n LEU 12 CO 0.49 0.25 -0.48 -0.89 -1.33 0.00 0.00 177.39 175.43 3gpw s THR 13 N -1.58 2.24 0.27 -5.08 2.01 -1.26 -4.83 115.64 107.41 3gpw s THR 13 Ca 0.09 -1.25 0.02 0.00 0.31 0.00 0.00 61.69 60.86 3gpw s THR 13 Cb 0.10 -2.14 -0.05 0.00 0.01 0.00 0.00 72.50 70.42 3gpw s THR 13 CO 0.32 0.24 0.10 0.42 -0.69 0.00 0.00 174.62 175.00 3gpw s THR 14 N 1.21 0.62 0.10 -0.82 -4.23 -1.26 -4.85 115.64 106.41 3gpw s THR 14 Ca -0.02 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.22 3gpw s THR 14 Cb -0.17 -2.65 -0.06 0.00 1.34 0.00 0.00 72.50 70.97 3gpw s THR 14 CO -0.08 0.00 0.87 -0.36 -0.54 0.00 0.00 174.62 174.51 3gpw s PHE 15 N -3.68 3.80 0.52 3.99 0.08 -1.26 -4.16 117.98 117.27 3gpw s PHE 15 Ca 0.37 1.67 -0.01 0.00 0.12 0.00 0.00 56.93 59.08 3gpw s PHE 15 Cb 0.08 -2.94 0.01 0.00 -0.57 0.00 0.00 43.02 39.60 3gpw s PHE 15 CO 0.14 0.28 0.77 -1.54 -0.10 0.00 0.00 175.22 174.76 3gpw s SER 16 N -0.20 5.60 0.54 1.36 1.04 -0.49 -4.93 113.70 116.62 3gpw s SER 16 Ca 0.42 0.33 0.28 0.00 0.48 0.00 0.00 55.95 57.47 3gpw s SER 16 Cb -0.22 -1.41 1.44 0.00 0.10 0.00 0.00 66.02 65.93 3gpw s SER 16 CO 0.27 -0.93 1.96 -0.65 0.98 0.00 0.00 173.24 174.86 3gpw h PRO 17 N 0.13 0.00 0.00 4.02 0.11 -1.97 0.24 132.00 134.53 3gpw h PRO 17 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gpw h PRO 17 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3gpw h PRO 17 CO 0.57 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.02 3gpw h SER 18 N 0.00 0.00 0.00 -2.05 4.64 -2.03 -3.46 113.55 110.65 3gpw h SER 18 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 3gpw h SER 18 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3gpw h SER 18 CO -0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 3gpw n GLY 19 N 0.86 0.91 3.88 -0.77 0.00 0.84 -5.08 105.19 105.82 3gpw n GLY 19 Ca 0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.76 3gpw n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gpw s LYS 20 N -0.91 3.77 -0.67 1.61 -0.14 -1.26 -4.78 119.74 117.35 3gpw s LYS 20 Ca 0.00 0.47 -0.02 0.00 -1.36 0.00 0.00 55.97 55.05 3gpw s LYS 20 Cb 0.00 -2.38 0.17 0.00 -1.68 0.00 0.00 37.83 33.94 3gpw s LYS 20 CO 0.00 -0.05 0.49 -0.51 -0.76 0.00 0.00 175.35 174.52 3gpw s LEU 21 N -3.91 5.26 0.07 3.17 1.43 -1.26 -1.40 118.68 122.04 3gpw s LEU 21 Ca 0.51 -3.03 -0.14 0.00 -1.03 0.00 0.00 54.13 50.44 3gpw s LEU 21 Cb -0.10 -1.85 -0.03 0.00 0.03 0.00 0.00 46.19 44.23 3gpw s LEU 21 CO 0.32 -0.33 0.91 0.61 0.23 0.00 0.00 176.35 178.09 3gpw n GLY 22 N 3.25 -1.83 0.33 -3.19 0.00 -1.26 -1.09 105.19 101.40 3gpw n GLY 22 Ca 0.10 0.66 0.14 0.00 0.00 0.00 0.00 46.02 46.93 3gpw n GLY 22 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3gpw h GLN 23 N 0.00 0.08 -0.14 1.61 1.08 -1.89 0.56 115.11 116.41 3gpw h GLN 23 Ca 0.07 -0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3gpw h GLN 23 Cb 0.19 -0.02 -0.00 0.00 -0.05 0.00 0.00 27.48 27.59 3gpw h GLN 23 CO -0.43 0.05 -0.13 0.82 -0.95 0.00 0.00 178.83 178.20 3gpw h ILE 24 N 0.08 1.35 -0.16 2.54 1.08 -1.52 -0.53 117.51 120.36 3gpw h ILE 24 Ca 0.17 -1.28 0.02 0.00 -0.39 0.00 0.00 64.86 63.38 3gpw h ILE 24 Cb 0.57 1.88 -0.02 0.00 -3.07 0.00 0.00 36.82 36.17 3gpw h ILE 24 CO -0.02 0.38 0.00 0.44 -0.69 0.00 0.00 178.15 178.26 3gpw h ASP 25 N -0.04 -0.05 -0.67 1.72 3.45 -0.72 0.86 116.42 120.97 3gpw h ASP 25 Ca 0.02 0.03 -0.02 0.00 0.43 0.00 0.00 57.03 57.50 3gpw h ASP 25 Cb 0.66 0.06 -0.03 0.00 -0.56 0.00 0.00 39.33 39.45 3gpw h ASP 25 CO 0.03 -0.00 0.35 1.88 -1.57 0.00 0.00 179.24 179.93 3gpw h TYR 26 N 0.06 0.94 -0.62 4.55 0.05 -0.94 -0.63 116.97 120.37 3gpw h TYR 26 Ca 0.07 -0.03 0.04 0.00 0.05 0.00 0.00 58.73 58.86 3gpw h TYR 26 Cb 0.09 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.48 3gpw h TYR 26 CO -0.15 0.68 0.36 0.00 -1.05 0.00 0.00 178.16 178.00 3gpw h ALA 27 N 1.17 0.82 -0.50 3.88 0.00 -0.52 -0.61 119.26 123.51 3gpw h ALA 27 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3gpw h ALA 27 Cb 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gpw h ALA 27 CO -0.03 0.06 0.29 -0.07 0.00 0.00 0.00 179.25 179.50 3gpw h LEU 28 N 0.69 0.59 -0.98 0.00 3.38 -0.02 -0.91 115.31 118.05 3gpw h LEU 28 Ca 0.27 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.13 3gpw h LEU 28 Cb 0.10 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3gpw h LEU 28 CO -0.14 0.47 -0.04 0.74 0.09 0.00 0.00 178.44 179.55 3gpw h THR 29 N 0.68 1.24 -0.55 0.22 2.02 0.31 -1.18 112.91 115.66 3gpw h THR 29 Ca 0.18 -1.00 -0.09 0.00 0.77 0.00 0.00 66.41 66.27 3gpw h THR 29 Cb -0.01 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3gpw h THR 29 CO -0.03 0.34 -0.02 0.00 0.37 0.00 0.00 175.52 176.19 3gpw h ALA 30 N 1.31 0.94 -0.87 6.16 0.00 0.05 -2.34 119.26 124.52 3gpw h ALA 30 Ca 0.12 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3gpw h ALA 30 Cb 0.46 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 3gpw h ALA 30 CO 0.02 0.63 0.47 0.28 0.00 0.00 0.00 179.25 180.66 3gpw h VAL 31 N 0.87 1.25 -0.68 0.00 2.07 -0.63 -2.74 116.25 116.39 3gpw h VAL 31 Ca 0.16 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.08 3gpw h VAL 31 Cb 0.53 0.09 -0.04 0.00 -1.52 0.00 0.00 31.29 30.35 3gpw h VAL 31 CO 0.03 0.28 0.45 0.11 0.02 0.00 0.00 177.57 178.46 3gpw h LYS 32 N 1.21 0.79 0.00 1.57 1.79 -0.70 -1.50 116.57 119.73 3gpw h LYS 32 Ca 0.30 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.73 3gpw h LYS 32 Cb 0.03 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3gpw h LYS 32 CO -0.05 0.52 0.00 1.04 -1.08 0.00 0.00 179.45 179.88 3gpw n GLN 33 N -4.46 0.23 -1.98 3.15 1.13 -1.05 -2.21 117.38 112.20 3gpw n GLN 33 Ca 0.08 0.25 -0.33 0.00 -1.94 0.00 0.00 57.00 55.06 3gpw n GLN 33 Cb 0.13 -1.80 0.02 0.00 0.11 0.00 0.00 30.24 28.70 3gpw n GLN 33 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3gpw s GLY 34 N -3.52 2.13 0.35 1.08 0.00 -0.56 -4.70 107.32 102.09 3gpw s GLY 34 Ca 0.09 0.43 -0.28 0.00 0.00 0.00 0.00 44.72 44.96 3gpw s GLY 34 CO 0.54 0.75 1.27 -0.62 0.00 0.00 0.00 173.10 175.05 3gpw n VAL 35 N -2.11 2.05 -1.85 1.40 0.31 -1.26 0.06 118.33 116.92 3gpw n VAL 35 Ca 0.09 -0.50 -0.41 0.00 -0.01 0.00 0.00 64.34 63.51 3gpw n VAL 35 Cb 0.53 -1.54 -0.00 0.00 -0.91 0.00 0.00 33.84 31.91 3gpw n VAL 35 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3gpw s THR 36 N -1.10 2.15 0.03 2.52 2.01 -1.26 -4.53 115.64 115.45 3gpw s THR 36 Ca 0.56 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.67 3gpw s THR 36 Cb -0.57 -3.09 -0.02 0.00 0.01 0.00 0.00 72.50 68.84 3gpw s THR 36 CO 0.62 0.03 0.05 -0.94 -0.69 0.00 0.00 174.62 173.69 3gpw s SER 37 N -0.25 0.22 0.21 3.53 1.04 -0.74 -3.71 113.70 114.00 3gpw s SER 37 Ca 0.53 -0.54 -0.12 0.00 0.48 0.00 0.00 55.95 56.31 3gpw s SER 37 Cb -0.45 0.18 -0.00 0.00 0.10 0.00 0.00 66.02 65.85 3gpw s SER 37 CO 0.61 -0.43 0.41 -1.48 0.98 0.00 0.00 173.24 173.33 3gpw s LEU 38 N -1.91 0.50 -0.07 2.42 0.05 0.40 -1.15 118.68 118.93 3gpw s LEU 38 Ca -0.08 -0.85 -0.08 0.00 0.05 0.00 0.00 54.13 53.17 3gpw s LEU 38 Cb -0.04 1.61 0.02 0.00 -2.05 0.00 0.00 46.19 45.73 3gpw s LEU 38 CO -0.03 -1.04 0.21 -0.83 -0.55 0.00 0.00 176.35 174.11 3gpw s GLY 39 N -2.98 -0.13 -0.02 -3.48 0.00 -0.69 -0.74 107.32 99.28 3gpw s GLY 39 Ca 0.19 0.49 0.01 0.00 0.00 0.00 0.00 44.72 45.41 3gpw s GLY 39 CO 0.04 0.39 -0.03 -0.42 0.00 0.00 0.00 173.10 173.08 3gpw s ILE 40 N -0.16 0.32 -0.19 0.90 1.01 0.29 -1.50 121.20 121.87 3gpw s ILE 40 Ca -0.03 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3gpw s ILE 40 Cb -0.03 -0.33 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 3gpw s ILE 40 CO 0.01 0.14 0.13 -0.75 0.00 0.00 0.00 174.94 174.46 3gpw s LYS 41 N 0.46 4.09 0.47 2.79 2.20 0.16 -1.07 119.74 128.83 3gpw s LYS 41 Ca -0.05 -0.21 0.06 0.00 -0.36 0.00 0.00 55.97 55.41 3gpw s LYS 41 Cb -0.08 -3.38 -0.01 0.00 -1.51 0.00 0.00 37.83 32.85 3gpw s LYS 41 CO -0.01 0.36 0.30 0.00 -0.36 0.00 0.00 175.35 175.64 3gpw s ALA 42 N 0.19 4.04 0.31 3.13 0.00 0.66 -4.91 121.76 125.18 3gpw s ALA 42 Ca 0.09 -1.62 0.27 0.00 0.00 0.00 0.00 51.96 50.69 3gpw s ALA 42 Cb -0.11 -0.62 1.29 0.00 0.00 0.00 0.00 23.12 23.68 3gpw s ALA 42 CO -0.01 -0.28 1.99 1.79 0.00 0.00 0.00 175.76 179.25 3gpw h THR 43 N 1.08 0.53 -0.27 0.00 1.35 -1.20 -3.22 112.91 111.18 3gpw h THR 43 Ca -0.40 -0.73 -0.23 0.00 -0.55 0.00 0.00 66.41 64.50 3gpw h THR 43 Cb 1.28 1.49 -0.31 0.00 -1.73 0.00 0.00 68.15 68.88 3gpw h THR 43 CO 0.63 0.15 -0.88 -0.46 -0.25 0.00 0.00 175.52 174.70 3gpw n ASN 44 N -3.51 2.17 0.00 5.36 6.94 -1.26 -4.97 115.26 119.99 3gpw n ASN 44 Ca -0.01 -2.85 0.00 0.00 -0.02 0.00 0.00 54.58 51.70 3gpw n ASN 44 Cb 0.30 -0.41 0.00 0.00 -2.36 0.00 0.00 39.78 37.31 3gpw n ASN 44 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3gpw n GLY 45 N -0.44 -2.38 3.11 4.83 0.00 -1.22 -4.58 105.19 104.51 3gpw n GLY 45 Ca 0.18 -1.23 -0.12 0.00 0.00 0.00 0.00 46.02 44.85 3gpw n GLY 45 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gpw s VAL 46 N -2.03 0.05 -0.04 1.61 1.01 0.27 -0.25 120.40 121.02 3gpw s VAL 46 Ca 0.00 -0.41 0.04 0.00 0.00 0.00 0.00 61.98 61.61 3gpw s VAL 46 Cb 0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 36.38 35.99 3gpw s VAL 46 CO 0.00 -0.22 -0.14 0.54 0.00 0.00 0.00 175.10 175.28 3gpw s VAL 47 N -0.81 1.16 -0.02 2.92 0.11 -0.23 -0.27 120.40 123.26 3gpw s VAL 47 Ca -0.09 -0.57 0.05 0.00 -2.93 0.00 0.00 61.98 58.44 3gpw s VAL 47 Cb -0.05 -1.01 -0.01 0.00 -1.53 0.00 0.00 36.38 33.78 3gpw s VAL 47 CO 0.01 0.34 -0.17 0.27 -3.33 0.00 0.00 175.10 172.23 3gpw s ILE 48 N 0.10 1.32 0.09 7.04 -5.25 -0.64 -0.55 121.20 123.32 3gpw s ILE 48 Ca -0.03 -0.71 -0.13 0.00 -0.99 0.00 0.00 60.65 58.78 3gpw s ILE 48 Cb -0.10 -1.11 0.02 0.00 2.95 0.00 0.00 42.46 44.22 3gpw s ILE 48 CO 0.01 0.38 0.31 0.00 -1.79 0.00 0.00 174.94 173.85 3gpw s ALA 49 N -0.34 -0.64 0.35 2.27 0.00 0.08 -1.62 121.76 121.86 3gpw s ALA 49 Ca 0.05 -0.22 -0.14 0.00 0.00 0.00 0.00 51.96 51.66 3gpw s ALA 49 Cb -0.07 0.53 0.03 0.00 0.00 0.00 0.00 23.12 23.62 3gpw s ALA 49 CO -0.00 -0.54 0.70 -0.08 0.00 0.00 0.00 175.76 175.83 3gpw s THR 50 N -3.51 0.00 -0.15 0.00 -1.32 -0.67 -0.45 115.64 109.54 3gpw s THR 50 Ca 0.02 -1.14 -0.07 0.00 -1.21 0.00 0.00 61.69 59.28 3gpw s THR 50 Cb 0.02 -2.62 -0.04 0.00 -1.51 0.00 0.00 72.50 68.35 3gpw s THR 50 CO -0.09 0.00 0.10 -0.70 -2.21 0.00 0.00 174.62 171.72 3gpw s GLU 51 N -2.87 3.71 -1.11 7.08 2.12 -1.24 -1.71 118.70 124.68 3gpw s GLU 51 Ca 0.18 -0.24 -0.17 0.00 0.36 0.00 0.00 54.97 55.10 3gpw s GLU 51 Cb -0.04 -3.21 0.13 0.00 0.26 0.00 0.00 34.13 31.27 3gpw s GLU 51 CO 0.12 0.52 1.38 0.15 -0.54 0.00 0.00 175.26 176.90 3gpw s LYS 52 N -0.31 3.86 -1.05 4.30 1.02 0.25 -4.90 119.74 122.91 3gpw s LYS 52 Ca 0.10 -2.06 -0.21 0.00 0.02 0.00 0.00 55.97 53.82 3gpw s LYS 52 Cb -0.12 -5.12 -0.09 0.00 -0.52 0.00 0.00 37.83 31.98 3gpw s LYS 52 CO 0.01 -1.89 1.93 1.17 -0.92 0.00 0.00 175.35 175.65 3gpw n LYS 53 N 6.73 1.81 -1.61 1.68 3.00 -1.26 -4.82 118.16 123.69 3gpw n LYS 53 Ca 0.34 -2.31 -0.50 0.00 -0.00 0.00 0.00 58.31 55.83 3gpw n LYS 53 Cb 0.46 -3.35 -0.06 0.00 0.00 0.00 0.00 35.03 32.08 3gpw n LYS 53 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 3gpw n SER 54 N 10.46 2.84 0.00 3.14 2.88 -1.26 -4.82 113.62 126.86 3gpw n SER 54 Ca 0.48 0.76 0.07 0.00 -1.33 0.00 0.00 58.87 58.85 3gpw n SER 54 Cb 0.44 -1.31 0.39 0.00 -0.75 0.00 0.00 64.21 62.97 3gpw n SER 54 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 3gpw n SER 55 N 7.77 0.00 -3.64 -3.46 7.64 -1.26 -4.76 113.62 115.91 3gpw n SER 55 Ca 0.30 -0.71 -0.02 0.00 1.01 0.00 0.00 58.87 59.44 3gpw n SER 55 Cb 0.25 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.41 3gpw n SER 55 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 3gpw s SER 56 N -1.85 -0.05 0.33 6.43 0.15 -1.26 -5.01 113.70 112.44 3gpw s SER 56 Ca 0.20 0.06 0.26 0.00 0.70 0.00 0.00 55.95 57.17 3gpw s SER 56 Cb 0.09 0.05 0.97 0.00 -1.71 0.00 0.00 66.02 65.42 3gpw s SER 56 CO 0.15 -0.04 1.78 1.55 1.20 0.00 0.00 173.24 177.88 3gpw h PRO 57 N 2.28 0.00 0.00 5.44 0.13 -2.03 -2.50 132.00 135.32 3gpw h PRO 57 Ca -0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 3gpw h PRO 57 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3gpw h PRO 57 CO 0.21 0.00 -0.11 -0.07 -0.23 0.00 0.00 178.00 177.80 3gpw h LEU 58 N 0.00 0.00-10.07 1.56 3.38 -1.99 -3.45 115.31 104.74 3gpw h LEU 58 Ca 0.00 -0.02 -0.47 0.00 0.09 0.00 0.00 57.88 57.48 3gpw h LEU 58 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.31 3gpw h LEU 58 CO 0.00 0.01 0.38 0.00 0.09 0.00 0.00 178.44 178.92 3gpw s ALA 59 N -3.15 2.88 -0.60 1.53 0.00 -0.94 -5.00 121.76 116.48 3gpw s ALA 59 Ca 0.09 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.52 3gpw s ALA 59 Cb 0.10 -3.25 0.15 0.00 0.00 0.00 0.00 23.12 20.12 3gpw s ALA 59 CO 0.64 -0.29 0.52 -1.64 0.00 0.00 0.00 175.76 174.99 3gpw s MET 60 N -3.21 2.96 0.56 0.00 -1.94 -1.26 -4.94 119.30 111.47 3gpw s MET 60 Ca 0.67 -1.97 0.30 0.00 -1.71 0.00 0.00 55.69 52.98 3gpw s MET 60 Cb -0.16 -4.18 1.46 0.00 2.01 0.00 0.00 34.83 33.96 3gpw s MET 60 CO 0.20 -1.27 1.86 0.66 -0.01 0.00 0.00 175.02 176.46 3gpw h SER 61 N 8.35 0.00 -0.32 3.03 4.64 -1.93 -1.20 113.55 126.12 3gpw h SER 61 Ca -0.15 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 61.08 3gpw h SER 61 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3gpw h SER 61 CO 0.89 0.00 -0.08 -0.33 -0.87 0.00 0.00 176.83 176.44 3gpw h GLU 62 N 0.00 0.73 -0.30 4.77 3.07 -1.92 -2.67 114.58 118.27 3gpw h GLU 62 Ca 0.34 -0.22 0.00 0.00 -0.50 0.00 0.00 59.36 58.97 3gpw h GLU 62 Cb 1.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 29.38 3gpw h GLU 62 CO -0.00 0.80 0.00 0.25 -1.40 0.00 0.00 179.01 178.66 3gpw n THR 63 N -4.18 0.00 -3.41 1.13 -2.24 -0.45 -4.22 114.28 100.90 3gpw n THR 63 Ca 0.02 0.00 -0.19 0.00 -2.27 0.00 0.00 64.05 61.60 3gpw n THR 63 Cb 0.34 -0.25 -0.10 0.00 -2.10 0.00 0.00 70.33 68.22 3gpw n THR 63 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gpw s LEU 64 N -0.45 -0.00 -0.19 3.22 0.20 -1.01 -5.08 118.68 115.38 3gpw s LEU 64 Ca 0.00 -1.15 -0.15 0.00 0.69 0.00 0.00 54.13 53.52 3gpw s LEU 64 Cb 0.00 0.35 -0.04 0.00 -0.43 0.00 0.00 46.19 46.06 3gpw s LEU 64 CO 0.00 -0.36 0.35 -0.44 -0.29 0.00 0.00 176.35 175.61 3gpw s SER 65 N 1.98 6.41 0.15 3.68 0.01 -1.26 -4.92 113.70 119.76 3gpw s SER 65 Ca 0.12 0.48 0.23 0.00 1.31 0.00 0.00 55.95 58.09 3gpw s SER 65 Cb -0.15 -2.21 0.03 0.00 0.21 0.00 0.00 66.02 63.90 3gpw s SER 65 CO -0.23 -0.01 1.03 0.29 0.41 0.00 0.00 173.24 174.73 3gpw n LYS 66 N 4.18 0.52 -3.63 12.44 5.02 -1.26 -4.72 118.16 130.70 3gpw n LYS 66 Ca -0.10 0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.87 3gpw n LYS 66 Cb 0.51 -1.75 -0.11 0.00 -0.02 0.00 0.00 35.03 33.66 3gpw n LYS 66 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gpw s VAL 67 N -3.32 4.76 0.05 -0.18 1.01 -1.26 -4.23 120.40 117.22 3gpw s VAL 67 Ca 0.00 -0.33 0.09 0.00 0.00 0.00 0.00 61.98 61.75 3gpw s VAL 67 Cb 0.11 -3.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.05 3gpw s VAL 67 CO 0.79 0.08 -0.25 -0.44 0.00 0.00 0.00 175.10 175.28 3gpw s SER 68 N 1.64 3.29 -0.15 3.32 0.01 -0.24 -4.95 113.70 116.62 3gpw s SER 68 Ca 0.05 -0.57 -0.24 0.00 1.31 0.00 0.00 55.95 56.50 3gpw s SER 68 Cb -0.17 -0.34 -0.02 0.00 0.21 0.00 0.00 66.02 65.70 3gpw s SER 68 CO 0.07 0.25 0.76 -0.22 0.41 0.00 0.00 173.24 174.51 3gpw s LEU 69 N -1.33 4.20 -0.23 2.44 0.20 -1.26 0.03 118.68 122.74 3gpw s LEU 69 Ca 0.12 1.10 -0.07 0.00 0.69 0.00 0.00 54.13 55.97 3gpw s LEU 69 Cb -0.10 -3.12 -0.18 0.00 -0.43 0.00 0.00 46.19 42.36 3gpw s LEU 69 CO 0.03 -0.31 -0.08 0.18 -0.29 0.00 0.00 176.35 175.88 3gpw n LEU 70 N 4.87 2.49 -4.13 -0.68 4.77 0.22 -4.96 117.00 119.58 3gpw n LEU 70 Ca 0.02 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.03 3gpw n LEU 70 Cb 0.50 -0.94 -0.10 0.00 -2.33 0.00 0.00 43.42 40.55 3gpw n LEU 70 CO 0.47 0.74 -0.25 0.42 -1.33 0.00 0.00 177.39 177.44 3gpw s THR 71 N -2.50 0.09 -1.20 -5.08 -4.23 -1.02 -4.67 115.64 97.02 3gpw s THR 71 Ca -0.33 -1.84 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3gpw s THR 71 Cb 0.10 -2.05 0.00 0.00 1.34 0.00 0.00 72.50 71.89 3gpw s THR 71 CO 0.61 -0.41 0.82 -0.81 -0.54 0.00 0.00 174.62 174.29 3gpw n PRO 72 N -0.12 0.00 -0.18 3.99 -0.04 -1.26 -1.65 135.00 135.74 3gpw n PRO 72 Ca -0.05 0.33 0.04 0.00 -0.04 0.00 0.00 63.50 63.78 3gpw n PRO 72 Cb 0.64 -1.52 0.05 0.00 -0.04 0.00 0.00 33.50 32.63 3gpw n PRO 72 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gpw n ASP 73 N -1.32 1.25 -3.80 3.54 8.00 -1.26 -1.09 116.55 121.87 3gpw n ASP 73 Ca 0.00 -2.28 -0.13 0.00 0.71 0.00 0.00 54.79 53.09 3gpw n ASP 73 Cb 0.02 -0.23 -0.13 0.00 -0.02 0.00 0.00 41.12 40.76 3gpw n ASP 73 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 3gpw s ILE 74 N -1.28 -0.02 0.13 0.53 1.01 -0.66 -1.09 121.20 119.82 3gpw s ILE 74 Ca 0.12 0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.86 3gpw s ILE 74 Cb 0.11 -0.21 -0.04 0.00 0.01 0.00 0.00 42.46 42.32 3gpw s ILE 74 CO 0.01 0.02 -0.06 -0.83 0.00 0.00 0.00 174.94 174.08 3gpw s GLY 75 N 0.43 0.94 0.09 6.18 0.00 0.54 -0.61 107.32 114.89 3gpw s GLY 75 Ca -0.03 -1.43 0.03 0.00 0.00 0.00 0.00 44.72 43.28 3gpw s GLY 75 CO -0.02 -1.51 -0.09 0.00 0.00 0.00 0.00 173.10 171.49 3gpw s ALA 76 N -3.55 0.98 0.12 3.20 0.00 0.11 -1.18 121.76 121.44 3gpw s ALA 76 Ca 0.15 -1.16 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 3gpw s ALA 76 Cb 0.05 0.07 -0.00 0.00 0.00 0.00 0.00 23.12 23.23 3gpw s ALA 76 CO -0.02 -0.09 0.23 0.54 0.00 0.00 0.00 175.76 176.43 3gpw s VAL 77 N -2.57 0.11 0.20 0.00 0.11 -0.74 -1.08 120.40 116.43 3gpw s VAL 77 Ca 0.04 -1.26 -0.02 0.00 -2.93 0.00 0.00 61.98 57.82 3gpw s VAL 77 Cb -0.02 -1.55 0.01 0.00 -1.53 0.00 0.00 36.38 33.29 3gpw s VAL 77 CO -0.01 -0.50 0.29 0.00 -3.33 0.00 0.00 175.10 171.55 3gpw n TYR 78 N -0.13 -1.07 -3.67 1.54 4.11 -1.26 -0.88 117.16 115.80 3gpw n TYR 78 Ca -0.12 -1.26 -0.08 0.00 -0.00 0.00 0.00 57.90 56.44 3gpw n TYR 78 Cb 0.63 0.33 -0.09 0.00 -0.00 0.00 0.00 39.34 40.20 3gpw n TYR 78 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.86 175.74 3gpw s SER 79 N -2.19 -0.53 0.00 9.48 0.01 -0.94 -4.59 113.70 114.94 3gpw s SER 79 Ca 0.15 1.09 0.00 0.00 1.31 0.00 0.00 55.95 58.50 3gpw s SER 79 Cb -0.01 1.28 0.00 0.00 0.21 0.00 0.00 66.02 67.50 3gpw s SER 79 CO 0.11 -0.22 0.00 0.61 0.41 0.00 0.00 173.24 174.15 3gpw n GLY 80 N 4.90 0.45 3.55 3.44 0.00 -1.26 -2.35 105.19 113.93 3gpw n GLY 80 Ca -0.15 -1.33 -0.43 0.00 0.00 0.00 0.00 46.02 44.11 3gpw n GLY 80 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3gpw s MET 81 N -1.88 3.43 0.20 1.61 -1.94 -0.35 -4.81 119.30 115.57 3gpw s MET 81 Ca 0.00 0.00 -0.16 0.00 -1.71 0.00 0.00 55.69 53.82 3gpw s MET 81 Cb 0.00 -4.02 0.19 0.00 2.01 0.00 0.00 34.83 33.01 3gpw s MET 81 CO 0.00 -1.54 1.62 0.78 -0.01 0.00 0.00 175.02 175.87 3gpw h GLY 82 N 11.34 0.28 0.75 -0.03 0.00 -1.96 -1.22 103.07 112.23 3gpw h GLY 82 Ca -0.25 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.40 3gpw h GLY 82 CO 1.12 -0.23 0.61 -2.55 0.00 0.00 0.00 176.54 175.50 3gpw h PRO 83 N -0.06 1.08 -0.94 4.80 0.11 -2.00 -0.98 132.00 134.02 3gpw h PRO 83 Ca 0.27 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 66.32 3gpw h PRO 83 Cb 0.48 -0.24 -0.05 0.00 0.11 0.00 0.00 31.00 31.30 3gpw h PRO 83 CO -0.63 0.72 0.58 -0.44 -0.21 0.00 0.00 178.00 178.02 3gpw h ASP 84 N 1.12 1.11 -0.38 -2.05 3.45 -1.64 -2.61 116.42 115.42 3gpw h ASP 84 Ca 0.41 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.79 3gpw h ASP 84 Cb 0.15 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.62 3gpw h ASP 84 CO -0.17 0.84 0.13 0.22 -1.57 0.00 0.00 179.24 178.70 3gpw h TYR 85 N 1.29 0.59 -0.00 4.55 3.20 -0.55 -2.01 116.97 124.04 3gpw h TYR 85 Ca 0.34 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.19 3gpw h TYR 85 Cb -0.08 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 37.97 3gpw h TYR 85 CO 0.00 0.55 -0.22 -0.09 -1.64 0.00 0.00 178.16 176.76 3gpw h ARG 86 N 0.46 -0.34 -0.35 1.82 2.43 -0.86 -0.09 114.38 117.45 3gpw h ARG 86 Ca 0.12 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.25 3gpw h ARG 86 Cb 0.22 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 3gpw h ARG 86 CO -0.01 -0.23 -0.05 -0.39 -1.51 0.00 0.00 179.97 177.79 3gpw h VAL 87 N -0.35 1.22 -0.34 0.20 -1.51 -1.47 -1.84 116.25 112.15 3gpw h VAL 87 Ca 0.06 -0.91 -0.02 0.00 -1.23 0.00 0.00 66.70 64.60 3gpw h VAL 87 Cb 0.43 1.01 -0.02 0.00 -2.13 0.00 0.00 31.29 30.58 3gpw h VAL 87 CO -0.21 0.31 0.13 -0.07 -1.23 0.00 0.00 177.57 176.51 3gpw h LEU 88 N 0.53 0.43 -0.25 4.19 3.38 -0.55 -1.09 115.31 121.95 3gpw h LEU 88 Ca 0.11 -0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.91 3gpw h LEU 88 Cb 0.41 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3gpw h LEU 88 CO 0.02 0.40 -0.35 0.58 0.09 0.00 0.00 178.44 179.18 3gpw h VAL 89 N 0.48 1.31 -0.21 1.22 2.07 -0.25 -0.49 116.25 120.38 3gpw h VAL 89 Ca 0.12 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.12 3gpw h VAL 89 Cb 0.11 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 3gpw h VAL 89 CO -0.01 0.49 0.07 0.44 0.02 0.00 0.00 177.57 178.57 3gpw h ASP 90 N 0.41 0.07 0.02 0.57 3.32 -0.87 0.34 116.42 120.27 3gpw h ASP 90 Ca 0.03 0.02 -0.04 0.00 0.02 0.00 0.00 57.03 57.06 3gpw h ASP 90 Cb 0.93 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.49 3gpw h ASP 90 CO 0.08 0.07 -0.11 0.11 -1.72 0.00 0.00 179.24 177.68 3gpw h LYS 91 N 0.17 0.21 -0.06 3.56 1.57 -1.15 -1.92 116.57 118.95 3gpw h LYS 91 Ca 0.09 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.64 3gpw h LYS 91 Cb 0.07 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.36 3gpw h LYS 91 CO -0.10 0.32 -0.72 0.77 -0.57 0.00 0.00 179.45 179.15 3gpw h SER 92 N 0.20 0.73 -0.63 0.86 0.02 -0.39 -1.45 113.55 112.90 3gpw h SER 92 Ca 0.04 -0.70 -0.01 0.00 -0.84 0.00 0.00 61.79 60.28 3gpw h SER 92 Cb 0.32 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.61 3gpw h SER 92 CO 0.02 1.33 0.34 0.03 -1.14 0.00 0.00 176.83 177.40 3gpw h ARG 93 N 0.20 0.88 -0.44 3.45 3.08 -0.73 -1.80 114.38 119.02 3gpw h ARG 93 Ca -0.07 -0.11 -0.10 0.00 0.07 0.00 0.00 59.98 59.77 3gpw h ARG 93 Cb 1.39 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 31.26 3gpw h ARG 93 CO 0.15 0.67 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.37 3gpw h LYS 94 N 0.86 0.86 0.00 0.04 3.64 -1.36 -2.98 116.57 117.63 3gpw h LYS 94 Ca 0.22 -0.34 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 3gpw h LYS 94 Cb 0.05 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 3gpw h LYS 94 CO -0.03 0.97 -0.23 -0.24 -2.27 0.00 0.00 179.45 177.65 3gpw h VAL 95 N 0.69 0.80 -0.14 2.00 3.04 -1.03 -0.02 116.25 121.59 3gpw h VAL 95 Ca 0.11 -0.93 -0.05 0.00 -1.01 0.00 0.00 66.70 64.82 3gpw h VAL 95 Cb 0.67 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.50 3gpw h VAL 95 CO 0.05 0.23 -0.16 0.00 -1.01 0.00 0.00 177.57 176.68 3gpw h ALA 96 N 1.77 1.47 0.00 3.17 0.00 -1.18 -1.65 119.26 122.85 3gpw h ALA 96 Ca -0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3gpw h ALA 96 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3gpw h ALA 96 CO 0.03 0.37 -0.04 0.45 0.00 0.00 0.00 179.25 180.07 3gpw h HIS 97 N 0.22 0.00 -0.94 0.00 -0.00 -1.22 -1.56 115.15 111.64 3gpw h HIS 97 Ca 0.04 0.00 0.15 0.00 -0.00 0.00 0.00 60.37 60.56 3gpw h HIS 97 Cb 0.41 0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.73 3gpw h HIS 97 CO 0.01 0.00 0.55 1.79 -0.00 0.00 0.00 177.93 180.28 3gpw h THR 98 N -0.44 0.79 -0.65 2.45 1.35 -1.11 0.06 112.91 115.36 3gpw h THR 98 Ca 0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3gpw h THR 98 Cb 0.04 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.38 3gpw h THR 98 CO 0.00 0.14 0.00 -1.20 -0.25 0.00 0.00 175.52 174.21 3gpw n SER 99 N -4.76 3.79 0.19 5.36 7.64 -0.62 -4.67 113.62 120.55 3gpw n SER 99 Ca 0.20 -2.00 0.00 0.00 1.01 0.00 0.00 58.87 58.08 3gpw n SER 99 Cb 0.45 -0.43 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 3gpw n SER 99 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gpw n TYR 100 N 1.60 -3.83 -0.13 1.43 4.19 -0.90 -4.89 117.16 114.62 3gpw n TYR 100 Ca 0.23 1.14 -0.01 0.00 3.31 0.00 0.00 57.90 62.56 3gpw n TYR 100 Cb 0.61 2.74 0.23 0.00 0.49 0.00 0.00 39.34 43.40 3gpw n TYR 100 CO 0.00 0.00 0.00 -0.22 0.91 0.00 0.00 176.86 177.55 3gpw h LYS 101 N 0.00 0.82 0.00 2.98 3.64 -0.59 0.32 116.57 123.74 3gpw h LYS 101 Ca 0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3gpw h LYS 101 Cb 0.00 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.68 3gpw h LYS 101 CO 0.00 0.69 0.00 0.54 -2.27 0.00 0.00 179.45 178.41 3gpw n ARG 102 N -4.32 0.25 -0.08 1.90 1.74 -0.06 -1.04 116.66 115.05 3gpw n ARG 102 Ca 0.05 0.07 -0.14 0.00 -0.77 0.00 0.00 57.85 57.05 3gpw n ARG 102 Cb 0.17 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.05 3gpw n ARG 102 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 3gpw n ILE 10 N -1.35 0.85 0.82 0.55 5.41 -0.64 -4.74 119.36 120.27 3gpw n ILE 10 Ca 0.10 -0.26 0.09 0.00 1.00 0.00 0.00 62.75 63.67 3gpw n ILE 10 Cb 0.22 -1.41 -0.03 0.00 -0.71 0.00 0.00 39.64 37.70 3gpw n ILE 10 CO 0.00 0.00 0.00 -1.22 0.00 0.00 0.00 176.55 175.33 3gpw n TYR 103 N -3.37 0.00 -1.21 1.39 4.01 0.10 -4.99 117.16 113.10 3gpw n TYR 103 Ca -0.29 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.38 3gpw n TYR 103 Cb 0.74 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.74 3gpw n TYR 103 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gpw n GLY 104 N 1.30 0.91 3.30 2.72 0.00 -0.21 -4.99 105.19 108.23 3gpw n GLY 104 Ca 0.06 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.49 3gpw n GLY 104 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3gpw s GLU 105 N -2.36 1.06 0.50 1.61 -1.05 -1.26 -5.03 118.70 112.17 3gpw s GLU 105 Ca 0.00 -1.05 -0.19 0.00 -0.15 0.00 0.00 54.97 53.58 3gpw s GLU 105 Cb 0.00 0.38 -0.08 0.00 -0.44 0.00 0.00 34.13 33.99 3gpw s GLU 105 CO 0.00 -0.38 1.02 0.71 0.95 0.00 0.00 175.26 177.56 3gpw s TYR 106 N -3.91 3.11 0.60 4.83 2.02 -1.26 -3.22 117.35 119.51 3gpw s TYR 106 Ca 0.12 1.55 -0.17 0.00 -0.37 0.00 0.00 57.07 58.20 3gpw s TYR 106 Cb 0.03 -2.98 -0.03 0.00 -0.40 0.00 0.00 41.96 38.58 3gpw s TYR 106 CO -0.05 -0.71 1.10 -1.25 -1.57 0.00 0.00 175.55 173.07 3gpw s PRO 107 N -3.52 3.13 0.51 -1.71 0.04 -1.26 -4.96 135.00 127.23 3gpw s PRO 107 Ca 0.64 1.41 -0.19 0.00 0.04 0.00 0.00 61.00 62.91 3gpw s PRO 107 Cb -0.14 -1.99 -0.08 0.00 0.04 0.00 0.00 34.50 32.33 3gpw s PRO 107 CO 0.24 -0.99 1.03 -1.25 0.04 0.00 0.00 177.00 176.07 3gpw s PRO 108 N -3.80 3.75 0.25 0.56 0.04 -1.26 -4.81 135.00 129.73 3gpw s PRO 108 Ca 0.68 1.27 -0.06 0.00 0.04 0.00 0.00 61.00 62.93 3gpw s PRO 108 Cb -0.20 -2.09 0.48 0.00 0.04 0.00 0.00 34.50 32.73 3gpw s PRO 108 CO 0.35 -0.46 1.63 1.15 0.04 0.00 0.00 177.00 179.70 3gpw h THR 109 N 1.28 0.30 -0.91 1.26 2.02 -1.93 -1.36 112.91 113.56 3gpw h THR 109 Ca -0.49 -0.03 0.02 0.00 0.77 0.00 0.00 66.41 66.68 3gpw h THR 109 Cb 1.21 0.19 -0.05 0.00 -1.74 0.00 0.00 68.15 67.77 3gpw h THR 109 CO 0.59 0.02 0.60 0.07 0.37 0.00 0.00 175.52 177.17 3gpw h LYS 110 N 0.10 1.18 -0.30 6.66 2.10 -1.99 -0.76 116.57 123.56 3gpw h LYS 110 Ca 0.44 -0.07 -0.18 0.00 -2.00 0.00 0.00 60.65 58.84 3gpw h LYS 110 Cb 0.80 -0.27 -0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3gpw h LYS 110 CO -0.70 0.78 -0.51 -0.07 -2.00 0.00 0.00 179.45 176.95 3gpw h LEU 111 N 1.22 0.98 -0.60 7.07 3.38 -1.64 0.25 115.31 125.96 3gpw h LEU 111 Ca 0.34 -0.52 -0.11 0.00 0.09 0.00 0.00 57.88 57.68 3gpw h LEU 111 Cb -0.10 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.35 3gpw h LEU 111 CO -0.09 1.31 -0.09 0.25 0.09 0.00 0.00 178.44 179.91 3gpw h LEU 112 N 0.67 1.01 -0.61 1.67 5.85 -1.30 -0.43 115.31 122.18 3gpw h LEU 112 Ca 0.02 -0.32 0.02 0.00 0.84 0.00 0.00 57.88 58.43 3gpw h LEU 112 Cb 1.12 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.84 3gpw h LEU 112 CO 0.12 1.11 0.39 0.58 -0.34 0.00 0.00 178.44 180.29 3gpw h VAL 113 N 0.90 1.11 -0.42 1.05 2.07 -1.02 -0.39 116.25 119.56 3gpw h VAL 113 Ca 0.14 -0.27 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3gpw h VAL 113 Cb 0.65 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 3gpw h VAL 113 CO 0.05 0.14 0.24 -1.28 0.02 0.00 0.00 177.57 176.74 3gpw h SER 114 N 0.78 0.50 -0.12 0.57 0.87 -0.42 0.09 113.55 115.82 3gpw h SER 114 Ca 0.23 -0.03 -0.05 0.00 -1.23 0.00 0.00 61.79 60.72 3gpw h SER 114 Cb -0.04 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 61.79 3gpw h SER 114 CO -0.07 0.40 -0.11 -0.33 -0.53 0.00 0.00 176.83 176.18 3gpw h GLU 115 N 0.58 0.29 -0.27 2.24 4.39 0.27 -2.10 114.58 119.98 3gpw h GLU 115 Ca 0.15 -0.15 0.01 0.00 0.34 0.00 0.00 59.36 59.71 3gpw h GLU 115 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3gpw h GLU 115 CO -0.03 0.69 0.15 0.28 -1.16 0.00 0.00 179.01 178.94 3gpw h VAL 116 N -0.09 1.02 -0.84 3.13 2.07 -0.66 -2.02 116.25 118.84 3gpw h VAL 116 Ca 0.02 -0.11 0.11 0.00 0.82 0.00 0.00 66.70 67.55 3gpw h VAL 116 Cb 0.63 0.68 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 3gpw h VAL 116 CO 0.03 0.06 0.47 0.00 0.02 0.00 0.00 177.57 178.15 3gpw h ALA 117 N 1.12 1.23 -0.51 1.67 0.00 -0.97 -0.52 119.26 121.29 3gpw h ALA 117 Ca 0.11 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3gpw h ALA 117 Cb 0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gpw h ALA 117 CO -0.06 0.05 0.25 -0.22 0.00 0.00 0.00 179.25 179.27 3gpw h LYS 118 N 0.75 0.73 -0.88 0.00 3.64 -0.81 0.11 116.57 120.11 3gpw h LYS 118 Ca 0.42 -0.10 0.07 0.00 -1.27 0.00 0.00 60.65 59.77 3gpw h LYS 118 Cb 0.46 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.08 3gpw h LYS 118 CO -0.28 0.60 0.55 0.82 -2.27 0.00 0.00 179.45 178.87 3gpw h ILE 119 N 0.68 1.03 -0.24 2.00 2.04 -0.45 -1.87 117.51 120.69 3gpw h ILE 119 Ca 0.18 -0.34 -0.18 0.00 1.00 0.00 0.00 64.86 65.52 3gpw h ILE 119 Cb 0.11 -0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.15 3gpw h ILE 119 CO -0.02 0.18 -0.54 0.24 0.00 0.00 0.00 178.15 178.01 3gpw h MET 120 N 0.98 0.79 -0.79 2.37 2.86 -0.70 -3.14 114.93 117.30 3gpw h MET 120 Ca 0.39 -0.53 0.03 0.00 -2.06 0.00 0.00 59.70 57.54 3gpw h MET 120 Cb 0.21 0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.90 3gpw h MET 120 CO -0.19 1.15 0.52 0.37 1.06 0.00 0.00 176.91 179.83 3gpw h GLN 121 N 0.54 0.94 -0.09 1.72 -0.00 -0.32 -1.99 115.11 115.92 3gpw h GLN 121 Ca 0.00 -0.06 -0.06 0.00 -0.00 0.00 0.00 58.65 58.54 3gpw h GLN 121 Cb 1.15 -0.21 -0.01 0.00 0.00 0.00 0.00 27.48 28.41 3gpw h GLN 121 CO 0.12 0.63 -0.21 0.93 0.00 0.00 0.00 178.83 180.29 3gpw h GLU 122 N 0.97 0.15 0.00 1.69 5.08 -1.31 -1.25 114.58 119.91 3gpw h GLU 122 Ca 0.32 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3gpw h GLU 122 Cb 0.05 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3gpw h GLU 122 CO -0.09 0.36 0.00 0.00 -1.00 0.00 0.00 179.01 178.28 3gpw n ALA 123 N -2.49 2.41 0.53 3.43 0.00 -0.75 -0.19 120.51 123.45 3gpw n ALA 123 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 53.44 53.37 3gpw n ALA 123 Cb 0.31 -1.34 -0.09 0.00 0.00 0.00 0.00 19.45 18.32 3gpw n ALA 123 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 3gpw n THR 124 N -0.92 0.00 0.00 0.00 -1.04 -0.48 -2.46 114.28 109.38 3gpw n THR 124 Ca 0.16 -0.20 0.00 0.00 -2.04 0.00 0.00 64.05 61.97 3gpw n THR 124 Cb 0.07 0.80 0.00 0.00 -1.82 0.00 0.00 70.33 69.38 3gpw n THR 124 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3gpw n GLN 125 N -1.52 0.67 -0.98 -2.82 7.27 -0.79 -4.58 117.38 114.63 3gpw n GLN 125 Ca 0.01 0.00 -0.33 0.00 0.07 0.00 0.00 57.00 56.75 3gpw n GLN 125 Cb 0.27 -0.63 0.12 0.00 2.41 0.00 0.00 30.24 32.41 3gpw n GLN 125 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3gpw n SER 126 N -1.22 -0.31 -4.78 1.69 7.64 0.73 -4.46 113.62 112.91 3gpw n SER 126 Ca 0.00 0.49 -0.36 0.00 1.01 0.00 0.00 58.87 60.01 3gpw n SER 126 Cb 0.13 -1.37 -0.03 0.00 -1.01 0.00 0.00 64.21 61.93 3gpw n SER 126 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 3gpw s GLY 127 N -2.06 2.73 -1.24 0.23 0.00 -1.26 -4.04 107.32 101.69 3gpw s GLY 127 Ca 0.67 0.75 0.00 0.00 0.00 0.00 0.00 44.72 46.14 3gpw s GLY 127 CO 0.58 1.18 0.00 0.61 0.00 0.00 0.00 173.10 175.47 3gpw n GLY 128 N 0.33 1.26 3.38 0.20 0.00 -0.26 -4.81 105.19 105.29 3gpw n GLY 128 Ca 0.06 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 3gpw n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 129 N -2.37 0.87 0.21 1.61 -7.23 -1.26 -5.03 120.40 107.19 3gpw s VAL 129 Ca 0.00 -2.00 0.11 0.00 -1.81 0.00 0.00 61.98 58.28 3gpw s VAL 129 Cb 0.00 -2.72 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 3gpw s VAL 129 CO 0.00 -0.00 -0.20 0.00 -0.31 0.00 0.00 175.10 174.59 3gpw s ARG 130 N -3.97 1.66 0.88 4.82 1.70 -1.26 -4.27 118.95 118.52 3gpw s ARG 130 Ca 0.37 -1.52 -0.11 0.00 -0.47 0.00 0.00 55.73 54.01 3gpw s ARG 130 Cb 0.08 -1.90 0.12 0.00 -0.57 0.00 0.00 34.95 32.69 3gpw s ARG 130 CO 0.15 0.39 1.11 -2.14 -1.08 0.00 0.00 175.30 173.73 3gpw s PRO 131 N -2.86 1.32 0.20 3.89 0.02 -1.03 -4.77 135.00 131.77 3gpw s PRO 131 Ca 0.23 1.30 -0.30 0.00 0.02 0.00 0.00 61.00 62.25 3gpw s PRO 131 Cb -0.08 -1.78 -0.08 0.00 0.02 0.00 0.00 34.50 32.58 3gpw s PRO 131 CO 0.12 -2.34 1.18 -0.06 -0.33 0.00 0.00 177.00 175.57 3gpw s PHE 132 N -2.75 3.45 -0.35 6.54 0.40 -1.26 -4.92 117.98 119.09 3gpw s PHE 132 Ca 0.65 1.47 -0.04 0.00 -0.60 0.00 0.00 56.93 58.41 3gpw s PHE 132 Cb -0.21 -3.40 -0.01 0.00 0.51 0.00 0.00 43.02 39.91 3gpw s PHE 132 CO 0.58 -1.08 2.96 0.41 0.70 0.00 0.00 175.22 178.79 3gpw n GLY 133 N 2.02 4.03 3.31 4.36 0.00 -1.26 -4.56 105.19 113.09 3gpw n GLY 133 Ca 0.03 -1.72 -0.09 0.00 0.00 0.00 0.00 46.02 44.24 3gpw n GLY 133 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gpw s VAL 134 N -1.49 0.08 -0.04 1.61 -7.23 -1.26 -1.21 120.40 110.85 3gpw s VAL 134 Ca 0.60 -1.36 0.02 0.00 -1.81 0.00 0.00 61.98 59.43 3gpw s VAL 134 Cb 0.37 -1.76 0.01 0.00 0.56 0.00 0.00 36.38 35.55 3gpw s VAL 134 CO -0.17 -0.36 -0.10 -0.44 -0.31 0.00 0.00 175.10 173.72 3gpw s SER 135 N -2.95 1.42 0.19 4.85 0.01 -0.99 -3.34 113.70 112.88 3gpw s SER 135 Ca 0.15 -0.23 0.09 0.00 1.31 0.00 0.00 55.95 57.28 3gpw s SER 135 Cb 0.04 -0.53 -0.04 0.00 0.21 0.00 0.00 66.02 65.69 3gpw s SER 135 CO -0.02 0.04 -0.09 -0.76 0.41 0.00 0.00 173.24 172.82 3gpw s LEU 136 N 0.46 2.98 -0.19 2.44 1.43 -0.45 -2.22 118.68 123.14 3gpw s LEU 136 Ca -0.09 -0.60 0.00 0.00 -1.03 0.00 0.00 54.13 52.42 3gpw s LEU 136 Cb -0.12 -1.65 0.04 0.00 0.03 0.00 0.00 46.19 44.49 3gpw s LEU 136 CO 0.02 0.09 -0.09 -0.76 0.23 0.00 0.00 176.35 175.84 3gpw s LEU 137 N -2.93 2.03 -0.15 1.79 1.43 -0.06 -1.08 118.68 119.71 3gpw s LEU 137 Ca 0.26 -0.80 -0.02 0.00 -1.03 0.00 0.00 54.13 52.53 3gpw s LEU 137 Cb -0.08 -1.12 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 3gpw s LEU 137 CO 0.16 -0.15 -0.07 -0.63 0.23 0.00 0.00 176.35 175.88 3gpw s ILE 138 N 1.48 3.60 -0.05 -0.59 1.01 0.19 -1.79 121.20 125.05 3gpw s ILE 138 Ca -0.00 -0.46 0.06 0.00 0.00 0.00 0.00 60.65 60.25 3gpw s ILE 138 Cb -0.16 -2.56 -0.01 0.00 0.01 0.00 0.00 42.46 39.74 3gpw s ILE 138 CO -0.08 0.50 -0.24 0.00 0.00 0.00 0.00 174.94 175.12 3gpw s ALA 139 N 0.37 2.10 0.24 9.38 0.00 -0.32 -0.24 121.76 133.28 3gpw s ALA 139 Ca -0.06 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.78 3gpw s ALA 139 Cb -0.15 -0.64 0.04 0.00 0.00 0.00 0.00 23.12 22.37 3gpw s ALA 139 CO 0.04 0.41 0.51 0.41 0.00 0.00 0.00 175.76 177.14 3gpw n GLY 140 N 2.91 1.31 3.20 0.00 0.00 -0.78 -0.34 105.19 111.50 3gpw n GLY 140 Ca -0.17 -1.16 -0.13 0.00 0.00 0.00 0.00 46.02 44.56 3gpw n GLY 140 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gpw s HIS 141 N -4.59 -0.21 -0.07 1.61 2.46 -0.25 -1.68 115.29 112.56 3gpw s HIS 141 Ca 0.10 0.43 -0.20 0.00 0.47 0.00 0.00 55.06 55.87 3gpw s HIS 141 Cb -0.03 0.08 0.04 0.00 -0.13 0.00 0.00 32.58 32.55 3gpw s HIS 141 CO 0.07 -0.28 0.45 0.16 -2.47 0.00 0.00 174.74 172.67 3gpw s ASP 142 N -0.73 -0.40 0.28 9.88 1.47 -0.99 -4.74 116.67 121.46 3gpw s ASP 142 Ca -0.08 0.49 -0.03 0.00 1.18 0.00 0.00 52.55 54.11 3gpw s ASP 142 Cb -0.04 0.55 0.60 0.00 -0.34 0.00 0.00 42.92 43.69 3gpw s ASP 142 CO 0.02 -0.41 1.59 -0.08 0.68 0.00 0.00 175.17 176.97 3gpw h GLU 143 N 4.05 0.04 -0.05 2.11 4.81 -2.01 0.54 114.58 124.07 3gpw h GLU 143 Ca -0.28 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 3gpw h GLU 143 Cb 1.17 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.54 3gpw h GLU 143 CO 0.34 0.02 0.00 1.19 -0.73 0.00 0.00 179.01 179.84 3gpw n PHE 144 N -5.47 0.04 0.00 0.92 3.01 -1.26 -4.23 117.46 110.48 3gpw n PHE 144 Ca 0.19 -0.02 0.00 0.00 1.01 0.00 0.00 57.45 58.63 3gpw n PHE 144 Cb 0.62 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.09 3gpw n PHE 144 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 3gpw n ASN 145 N 0.50 0.17 0.00 4.37 3.02 -0.80 -5.12 115.26 117.40 3gpw n ASN 145 Ca 0.18 -0.32 0.00 0.00 -0.03 0.00 0.00 54.58 54.41 3gpw n ASN 145 Cb 0.42 0.67 0.00 0.00 -0.61 0.00 0.00 39.78 40.26 3gpw n ASN 145 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3gpw n GLY 146 N 0.72 1.10 3.85 7.41 0.00 0.12 -4.76 105.19 113.63 3gpw n GLY 146 Ca 0.00 -0.74 -0.33 0.00 0.00 0.00 0.00 46.02 44.95 3gpw n GLY 146 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gpw s PHE 147 N 0.00 3.49 0.14 1.61 0.40 -1.26 -2.34 117.98 120.01 3gpw s PHE 147 Ca 0.00 1.06 -0.17 0.00 -0.60 0.00 0.00 56.93 57.22 3gpw s PHE 147 Cb 0.00 -2.39 0.04 0.00 0.51 0.00 0.00 43.02 41.17 3gpw s PHE 147 CO 0.00 0.28 0.43 -1.54 0.70 0.00 0.00 175.22 175.09 3gpw s SER 14 N -2.09 -0.27 -0.02 1.36 1.04 -0.68 -5.00 113.70 108.03 3gpw s SER 14 Ca 0.46 -0.30 -0.00 0.00 0.48 0.00 0.00 55.95 56.58 3gpw s SER 14 Cb -0.13 0.50 0.03 0.00 0.10 0.00 0.00 66.02 66.52 3gpw s SER 14 CO 0.20 -0.88 0.04 -0.22 0.98 0.00 0.00 173.24 173.35 3gpw s LEU 148 N -2.81 1.08 0.15 2.42 2.96 -1.26 -1.87 118.68 119.35 3gpw s LEU 148 Ca 0.03 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.06 3gpw s LEU 148 Cb 0.01 -0.02 -0.04 0.00 0.50 0.00 0.00 46.19 46.64 3gpw s LEU 148 CO -0.11 -0.13 -0.11 -0.31 -1.32 0.00 0.00 176.35 174.37 3gpw s TYR 149 N 1.03 1.34 -0.03 5.38 2.02 0.67 -1.36 117.35 126.39 3gpw s TYR 149 Ca -0.09 -0.69 0.06 0.00 -0.37 0.00 0.00 57.07 55.98 3gpw s TYR 149 Cb -0.12 -0.67 -0.01 0.00 -0.40 0.00 0.00 41.96 40.75 3gpw s TYR 149 CO -0.03 0.13 -0.20 -1.14 -1.57 0.00 0.00 175.55 172.74 3gpw s GLN 150 N -3.49 1.76 -0.11 -0.62 0.74 -0.77 -0.64 119.66 116.54 3gpw s GLN 150 Ca 0.15 -0.70 -0.00 0.00 0.05 0.00 0.00 55.36 54.86 3gpw s GLN 150 Cb 0.00 -1.62 0.02 0.00 1.10 0.00 0.00 33.01 32.52 3gpw s GLN 150 CO 0.02 0.37 -0.07 0.08 -0.55 0.00 0.00 175.29 175.14 3gpw s VAL 151 N -0.29 0.95 0.33 1.34 1.01 -0.24 -1.73 120.40 121.77 3gpw s VAL 151 Ca 0.03 -0.25 0.07 0.00 0.00 0.00 0.00 61.98 61.83 3gpw s VAL 151 Cb -0.09 -0.98 -0.01 0.00 0.00 0.00 0.00 36.38 35.29 3gpw s VAL 151 CO 0.01 0.35 0.43 -1.81 0.00 0.00 0.00 175.10 174.08 3gpw s ASP 152 N 1.68 5.88 0.52 3.32 -0.00 -0.27 -1.35 116.67 126.45 3gpw s ASP 152 Ca 0.04 -0.22 0.37 0.00 -0.00 0.00 0.00 52.55 52.74 3gpw s ASP 152 Cb -0.13 -1.23 1.53 0.00 -0.00 0.00 0.00 42.92 43.09 3gpw s ASP 152 CO -0.07 -0.39 1.74 -0.65 -0.00 0.00 0.00 175.17 175.79 3gpw h PRO 153 N 0.97 0.05 0.00 8.23 0.11 -1.79 0.48 132.00 140.05 3gpw h PRO 153 Ca -0.46 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.60 3gpw h PRO 153 Cb 1.25 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 3gpw h PRO 153 CO 0.54 0.04 -0.22 0.66 -0.21 0.00 0.00 178.00 178.81 3gpw h SER 154 N 0.06 0.00 0.00 -2.05 4.64 -1.90 -3.42 113.55 110.87 3gpw h SER 154 Ca 0.67 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.99 3gpw h SER 154 Cb 2.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.61 3gpw h SER 154 CO -0.08 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.70 3gpw n GLY 155 N -0.32 0.66 3.79 -0.77 0.00 0.17 -4.18 105.19 104.53 3gpw n GLY 155 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 3gpw n GLY 155 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gpw s SER 156 N -1.88 6.14 0.01 1.61 0.01 -1.25 -4.67 113.70 113.66 3gpw s SER 156 Ca 0.00 2.06 -0.09 0.00 1.31 0.00 0.00 55.95 59.23 3gpw s SER 156 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 3gpw s SER 156 CO 0.00 -0.93 0.17 -0.72 0.41 0.00 0.00 173.24 172.17 3gpw s TYR 157 N -1.84 0.02 -0.05 2.43 -0.85 -1.26 -1.12 117.35 114.68 3gpw s TYR 157 Ca 0.68 -0.11 -0.13 0.00 -0.52 0.00 0.00 57.07 56.99 3gpw s TYR 157 Cb -0.20 -0.03 0.02 0.00 0.38 0.00 0.00 41.96 42.13 3gpw s TYR 157 CO 0.24 -0.33 0.31 -0.59 -1.52 0.00 0.00 175.55 173.66 3gpw s PHE 158 N -1.59 -0.23 0.28 -3.49 -0.12 -0.71 -4.95 117.98 107.17 3gpw s PHE 158 Ca -0.13 0.46 -0.28 0.00 -0.05 0.00 0.00 56.93 56.93 3gpw s PHE 158 Cb -0.06 0.10 -0.09 0.00 -0.63 0.00 0.00 43.02 42.33 3gpw s PHE 158 CO 0.01 -0.31 0.97 -1.25 -0.05 0.00 0.00 175.22 174.59 3gpw s PRO 159 N -0.80 4.70 0.14 1.99 0.04 -1.26 -1.85 135.00 137.95 3gpw s PRO 159 Ca -0.09 1.48 0.05 0.00 0.04 0.00 0.00 61.00 62.48 3gpw s PRO 159 Cb -0.04 -3.06 -0.04 0.00 0.04 0.00 0.00 34.50 31.40 3gpw s PRO 159 CO 0.03 0.36 -0.11 -1.58 0.04 0.00 0.00 177.00 175.73 3gpw s TRP 160 N -1.36 1.31 -0.12 0.56 0.52 -0.47 -4.98 118.94 114.40 3gpw s TRP 160 Ca 0.46 -0.68 0.05 0.00 0.02 0.00 0.00 56.10 55.95 3gpw s TRP 160 Cb -0.24 -0.67 -0.24 0.00 -1.15 0.00 0.00 33.47 31.18 3gpw s TRP 160 CO 0.30 0.11 0.35 1.63 0.02 0.00 0.00 176.95 179.36 3gpw n LYS 161 N 0.07 0.69 -3.59 4.98 5.02 -1.26 -4.28 118.16 119.79 3gpw n LYS 161 Ca -0.12 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.28 3gpw n LYS 161 Cb 0.59 -1.69 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 3gpw n LYS 161 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3gpw s ALA 162 N -2.56 -1.93 0.05 7.82 0.00 -1.26 0.36 121.76 124.24 3gpw s ALA 162 Ca -0.16 1.64 -0.28 0.00 0.00 0.00 0.00 51.96 53.16 3gpw s ALA 162 Cb 0.07 -0.84 0.10 0.00 0.00 0.00 0.00 23.12 22.45 3gpw s ALA 162 CO 0.77 -0.29 1.17 -0.08 0.00 0.00 0.00 175.76 177.33 3gpw s THR 163 N -0.82 0.00 0.04 0.00 -1.32 -0.56 -5.01 115.64 107.98 3gpw s THR 163 Ca -0.01 -0.39 -0.01 0.00 -1.21 0.00 0.00 61.69 60.07 3gpw s THR 163 Cb -0.01 -2.03 -0.03 0.00 -1.51 0.00 0.00 72.50 68.91 3gpw s THR 163 CO 0.00 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.40 3gpw s ALA 164 N -2.72 0.35 0.09 11.08 0.00 -1.26 -1.71 121.76 127.59 3gpw s ALA 164 Ca 0.14 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3gpw s ALA 164 Cb 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 23.12 23.34 3gpw s ALA 164 CO -0.01 -0.31 -0.04 0.96 0.00 0.00 0.00 175.76 176.35 3gpw s ILE 165 N -3.14 0.49 0.00 0.00 -4.36 -0.30 -4.82 121.20 109.08 3gpw s ILE 165 Ca -0.00 -1.89 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3gpw s ILE 165 Cb 0.02 -1.68 0.00 0.00 1.25 0.00 0.00 42.46 42.05 3gpw s ILE 165 CO -0.07 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 174.85 3gpw n GLY 166 N -0.01 -1.82 0.00 6.27 0.00 -1.26 -1.79 105.19 106.58 3gpw n GLY 166 Ca -0.12 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3gpw n GLY 166 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gpw n LYS 167 N 0.00 0.00 -1.64 1.61 5.02 0.11 -1.95 118.16 121.30 3gpw n LYS 167 Ca 0.00 0.49 -0.35 0.00 -2.02 0.00 0.00 58.31 56.43 3gpw n LYS 167 Cb 0.00 -0.77 0.06 0.00 -0.02 0.00 0.00 35.03 34.30 3gpw n LYS 167 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gpw n GLY 168 N -0.95 5.83 0.30 0.72 0.00 -1.26 -4.68 105.19 105.16 3gpw n GLY 168 Ca 0.00 -2.42 -0.06 0.00 0.00 0.00 0.00 46.02 43.54 3gpw n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3gpw h SER 169 N 2.35 0.94 -0.07 1.61 4.64 -1.64 -1.17 113.55 120.22 3gpw h SER 169 Ca 0.56 -0.13 0.00 0.00 -0.47 0.00 0.00 61.79 61.75 3gpw h SER 169 Cb 0.65 -0.24 -0.00 0.00 -0.31 0.00 0.00 62.40 62.50 3gpw h SER 169 CO 1.43 0.80 0.04 0.58 -0.87 0.00 0.00 176.83 178.81 3gpw h VAL 170 N 1.01 1.01 0.09 0.95 2.07 -1.84 0.31 116.25 119.85 3gpw h VAL 170 Ca 0.25 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.74 3gpw h VAL 170 Cb 0.10 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 30.79 3gpw h VAL 170 CO -0.03 0.01 -0.04 0.00 0.02 0.00 0.00 177.57 177.53 3gpw h ALA 171 N 1.03 -0.12 -0.64 1.67 0.00 -1.91 -2.54 119.26 116.74 3gpw h ALA 171 Ca 0.03 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.85 3gpw h ALA 171 Cb -0.00 0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3gpw h ALA 171 CO -0.01 -0.49 0.42 0.00 0.00 0.00 0.00 179.25 179.17 3gpw h ALA 172 N 0.61 0.82 -1.00 0.00 0.00 -1.09 -0.81 119.26 117.79 3gpw h ALA 172 Ca -0.01 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gpw h ALA 172 Cb 0.24 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.73 3gpw h ALA 172 CO 0.02 0.22 0.66 0.87 0.00 0.00 0.00 179.25 181.01 3gpw h LYS 173 N 0.85 1.25 -0.27 0.00 1.57 -0.36 -0.10 116.57 119.51 3gpw h LYS 173 Ca 0.24 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.92 3gpw h LYS 173 Cb -0.07 -0.28 -0.01 0.00 0.08 0.00 0.00 32.23 31.95 3gpw h LYS 173 CO -0.06 0.83 0.07 1.15 -0.57 0.00 0.00 179.45 180.86 3gpw h THR 174 N 1.29 1.21 -0.18 -0.16 2.02 -0.94 -1.76 112.91 114.39 3gpw h THR 174 Ca 0.39 -0.70 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 3gpw h THR 174 Cb -0.05 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 3gpw h THR 174 CO -0.11 0.23 -0.01 0.15 0.37 0.00 0.00 175.52 176.14 3gpw h PHE 175 N 0.27 0.26 -0.33 3.16 3.57 -0.52 -2.54 116.94 120.81 3gpw h PHE 175 Ca 0.09 -0.01 -0.17 0.00 3.53 0.00 0.00 57.97 61.40 3gpw h PHE 175 Cb 0.28 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3gpw h PHE 175 CO 0.01 0.29 -0.46 -0.07 -2.23 0.00 0.00 178.31 175.85 3gpw h LEU 176 N 0.26 0.97 -2.38 0.59 3.38 -0.66 -2.95 115.31 114.53 3gpw h LEU 176 Ca 0.06 -0.48 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3gpw h LEU 176 Cb 0.20 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 3gpw h LEU 176 CO 0.01 1.28 0.03 -0.33 0.09 0.00 0.00 178.44 179.52 3gpw h GLU 177 N 0.71 0.00 0.13 1.13 5.08 -0.89 -1.26 114.58 119.47 3gpw h GLU 177 Ca 0.04 0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 58.10 3gpw h GLU 177 Cb 1.06 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.34 3gpw h GLU 177 CO 0.11 0.00 -1.25 0.87 -1.00 0.00 0.00 179.01 177.74 3gpw h LYS 178 N 0.00 0.62 0.00 2.33 1.57 -1.42 -3.36 116.57 116.30 3gpw h LYS 178 Ca 0.02 -0.84 0.00 0.00 -1.87 0.00 0.00 60.65 57.96 3gpw h LYS 178 Cb 0.08 0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.67 3gpw h LYS 178 CO -0.00 1.38 -0.93 0.54 -0.57 0.00 0.00 179.45 179.87 3gpw n ARG 179 N -3.80 0.24 -2.87 3.15 5.12 -0.96 -4.96 116.66 112.58 3gpw n ARG 179 Ca -0.14 0.01 -0.40 0.00 -1.93 0.00 0.00 57.85 55.39 3gpw n ARG 179 Cb 0.99 -1.59 -0.05 0.00 -1.16 0.00 0.00 32.46 30.65 3gpw n ARG 179 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 3gpw s TRP 180 N -3.16 3.85 0.13 -1.55 -0.00 -0.52 -5.06 118.94 112.63 3gpw s TRP 180 Ca 0.05 1.69 -0.07 0.00 -0.00 0.00 0.00 56.10 57.77 3gpw s TRP 180 Cb 0.15 -2.90 -0.01 0.00 -0.00 0.00 0.00 33.47 30.70 3gpw s TRP 180 CO 0.79 0.36 0.19 0.54 -0.00 0.00 0.00 176.95 178.83 3gpw s ASN 181 N -0.54 0.14 -0.04 5.86 2.20 -1.26 -4.99 114.94 116.31 3gpw s ASN 181 Ca 0.40 -0.88 0.02 0.00 -0.94 0.00 0.00 52.86 51.47 3gpw s ASN 181 Cb -0.23 0.37 0.13 0.00 -2.00 0.00 0.00 41.25 39.52 3gpw s ASN 181 CO 0.27 -0.80 0.77 -0.90 -2.94 0.00 0.00 177.10 173.51 3gpw n ASP 182 N -0.12 1.97 -0.03 3.54 3.85 -1.26 -3.49 116.55 121.01 3gpw n ASP 182 Ca -0.10 -2.17 0.01 0.00 -0.71 0.00 0.00 54.79 51.82 3gpw n ASP 182 Cb 0.63 -0.53 0.01 0.00 -1.35 0.00 0.00 41.12 39.88 3gpw n ASP 182 CO 0.00 0.00 0.00 -0.62 -1.01 0.00 0.00 177.20 175.57 3gpw n GLU 183 N 0.12 1.89 -2.06 0.11 1.02 -1.26 -4.83 120.64 115.63 3gpw n GLU 183 Ca 0.05 -1.29 -0.41 0.00 -0.02 0.00 0.00 57.16 55.49 3gpw n GLU 183 Cb 0.45 -0.88 -0.02 0.00 -0.02 0.00 0.00 31.44 30.96 3gpw n GLU 183 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3gpw s LEU 184 N -0.84 4.40 0.39 -4.62 1.43 -1.23 -4.87 118.68 113.35 3gpw s LEU 184 Ca 0.03 2.71 0.01 0.00 -1.03 0.00 0.00 54.13 55.84 3gpw s LEU 184 Cb 0.02 -3.64 -0.02 0.00 0.03 0.00 0.00 46.19 42.59 3gpw s LEU 184 CO 0.00 -0.62 0.60 -0.70 0.23 0.00 0.00 176.35 175.86 3gpw s GLU 185 N -1.29 3.24 0.22 1.70 -6.30 -1.26 -0.65 118.70 114.35 3gpw s GLU 185 Ca 0.53 -0.49 -0.09 0.00 -2.50 0.00 0.00 54.97 52.43 3gpw s GLU 185 Cb -0.41 -2.63 0.31 0.00 0.00 0.00 0.00 34.13 31.40 3gpw s GLU 185 CO 0.50 -0.06 1.74 1.25 0.02 0.00 0.00 175.26 178.71 3gpw h LEU 186 N 0.60 0.22 -1.29 2.70 5.85 -1.91 -1.41 115.31 120.07 3gpw h LEU 186 Ca -0.48 0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.35 3gpw h LEU 186 Cb 1.24 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 42.30 3gpw h LEU 186 CO 0.58 0.12 0.49 -0.33 -0.34 0.00 0.00 178.44 178.97 3gpw h GLU 187 N 0.41 0.93 -0.27 1.25 4.39 -1.98 -0.95 114.58 118.35 3gpw h GLU 187 Ca 0.33 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.96 3gpw h GLU 187 Cb 0.43 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 28.86 3gpw h GLU 187 CO -0.33 0.61 0.13 -0.44 -1.16 0.00 0.00 179.01 177.82 3gpw h ASP 188 N 0.96 0.35 -0.80 1.42 3.45 -1.66 -0.44 116.42 119.70 3gpw h ASP 188 Ca 0.28 -0.13 -0.02 0.00 0.43 0.00 0.00 57.03 57.60 3gpw h ASP 188 Cb -0.03 -0.09 -0.04 0.00 -0.56 0.00 0.00 39.33 38.61 3gpw h ASP 188 CO -0.07 0.38 0.44 0.00 -1.57 0.00 0.00 179.24 178.42 3gpw h ALA 189 N 0.99 1.02 -0.70 3.45 0.00 -0.79 0.11 119.26 123.34 3gpw h ALA 189 Ca 0.09 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3gpw h ALA 189 Cb 0.12 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3gpw h ALA 189 CO -0.01 0.53 0.44 0.82 0.00 0.00 0.00 179.25 181.03 3gpw h ILE 190 N 1.11 1.19 0.81 0.00 2.04 -0.89 0.27 117.51 122.04 3gpw h ILE 190 Ca 0.28 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 3gpw h ILE 190 Cb 0.03 0.20 0.01 0.00 -0.74 0.00 0.00 36.82 36.32 3gpw h ILE 190 CO -0.05 0.20 -0.39 -0.74 0.00 0.00 0.00 178.15 177.17 3gpw h HIS 191 N 0.95 -1.01 -0.97 1.37 2.76 -0.27 -1.01 115.15 116.97 3gpw h HIS 191 Ca 0.25 -0.02 0.18 0.00 -2.20 0.00 0.00 60.37 58.58 3gpw h HIS 191 Cb -0.06 0.33 -0.09 0.00 1.55 0.00 0.00 27.41 29.14 3gpw h HIS 191 CO -0.02 -0.62 0.61 0.82 -1.30 0.00 0.00 177.93 177.42 3gpw h ILE 192 N -1.15 0.74 -0.31 6.26 2.04 -0.54 -0.51 117.51 124.04 3gpw h ILE 192 Ca -0.11 -0.24 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3gpw h ILE 192 Cb 0.84 -0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 3gpw h ILE 192 CO 0.18 0.13 0.16 0.00 0.00 0.00 0.00 178.15 178.62 3gpw h ALA 193 N 1.61 0.40 -0.82 1.87 0.00 -0.15 -0.99 119.26 121.19 3gpw h ALA 193 Ca 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.32 3gpw h ALA 193 Cb 0.89 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.52 3gpw h ALA 193 CO -0.29 -0.05 0.42 -0.07 0.00 0.00 0.00 179.25 179.27 3gpw h LEU 194 N 0.38 1.04 -0.09 0.00 3.38 0.24 -0.66 115.31 119.60 3gpw h LEU 194 Ca 0.11 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 3gpw h LEU 194 Cb 0.10 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3gpw h LEU 194 CO -0.02 0.86 0.03 -0.07 0.09 0.00 0.00 178.44 179.34 3gpw h LEU 195 N 1.14 0.13 -0.77 1.67 3.38 -1.12 -1.90 115.31 117.83 3gpw h LEU 195 Ca 0.28 -0.19 0.05 0.00 0.09 0.00 0.00 57.88 58.11 3gpw h LEU 195 Cb 0.07 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3gpw h LEU 195 CO -0.04 0.29 0.47 0.74 0.09 0.00 0.00 178.44 179.99 3gpw h THR 196 N -0.04 1.05 0.00 0.22 2.02 -0.91 -2.02 112.91 113.24 3gpw h THR 196 Ca 0.03 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.83 3gpw h THR 196 Cb 0.20 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.69 3gpw h THR 196 CO -0.00 0.16 -0.36 0.25 0.37 0.00 0.00 175.52 175.94 3gpw h LEU 197 N 0.89 0.00 -0.51 2.58 5.85 -0.97 -3.07 115.31 120.08 3gpw h LEU 197 Ca 0.33 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 3gpw h LEU 197 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3gpw h LEU 197 CO -0.15 0.36 0.26 0.50 -0.34 0.00 0.00 178.44 179.07 3gpw h LYS 198 N 0.00 0.72 -0.01 1.25 3.64 -0.57 -2.06 116.57 119.54 3gpw h LYS 198 Ca -0.00 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 3gpw h LYS 198 Cb 0.69 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3gpw h LYS 198 CO 0.05 0.58 0.03 0.93 -2.27 0.00 0.00 179.45 178.76 3gpw h GLU 199 N 0.67 0.00 0.00 1.90 4.39 -1.51 -1.45 114.58 118.58 3gpw h GLU 199 Ca 0.18 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 3gpw h GLU 199 Cb 0.08 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3gpw h GLU 199 CO -0.03 0.00 -0.87 0.43 -1.16 0.00 0.00 179.01 177.38 3gpw n SER 200 N -3.35 0.72 -4.71 1.42 7.64 -0.81 -4.90 113.62 109.63 3gpw n SER 200 Ca -0.03 -0.54 -0.37 0.00 1.01 0.00 0.00 58.87 58.95 3gpw n SER 200 Cb 0.10 0.73 -0.07 0.00 -1.01 0.00 0.00 64.21 63.96 3gpw n SER 200 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3gpw s VAL 202 N -3.06 5.29 -0.14 0.44 1.01 -0.55 -4.95 120.40 118.44 3gpw s VAL 202 Ca 0.07 0.54 -0.23 0.00 0.00 0.00 0.00 61.98 62.36 3gpw s VAL 202 Cb 0.16 -3.64 -0.21 0.00 0.00 0.00 0.00 36.38 32.70 3gpw s VAL 202 CO 0.80 0.36 0.58 -0.33 0.00 0.00 0.00 175.10 176.51 3gpw h GLU 203 N 6.90 0.00 0.00 2.72 3.07 -1.90 -3.48 114.58 121.89 3gpw h GLU 203 Ca -0.40 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.46 3gpw h GLU 203 Cb 1.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 3gpw h GLU 203 CO 0.74 0.82 0.00 0.41 -1.40 0.00 0.00 179.01 179.58 3gpw n GLY 204 N 1.62 0.77 3.73 -3.84 0.00 -1.26 -5.03 105.19 101.19 3gpw n GLY 204 Ca -0.10 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 3gpw n GLY 204 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gpw n GLU 205 N 0.00 2.43 -3.64 1.61 -0.58 -1.26 -4.99 120.64 114.21 3gpw n GLU 205 Ca 0.00 0.85 -0.29 0.00 -0.42 0.00 0.00 57.16 57.31 3gpw n GLU 205 Cb 0.00 -2.53 -0.12 0.00 -0.57 0.00 0.00 31.44 28.22 3gpw n GLU 205 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 3gpw s PHE 206 N -0.88 1.80 0.35 -0.32 5.36 -1.26 -4.87 117.98 118.16 3gpw s PHE 206 Ca 0.57 -2.37 0.01 0.00 -0.96 0.00 0.00 56.93 54.17 3gpw s PHE 206 Cb -0.53 -1.65 -0.00 0.00 -0.34 0.00 0.00 43.02 40.50 3gpw s PHE 206 CO 0.60 -0.77 0.43 0.54 -1.46 0.00 0.00 175.22 174.56 3gpw s ASN 207 N 0.23 1.18 0.00 6.13 2.20 -1.26 -5.03 114.94 118.40 3gpw s ASN 207 Ca 0.21 -1.59 0.02 0.00 -0.94 0.00 0.00 52.86 50.56 3gpw s ASN 207 Cb -0.17 0.65 0.13 0.00 -2.00 0.00 0.00 41.25 39.85 3gpw s ASN 207 CO -0.05 -1.26 0.49 0.61 -2.94 0.00 0.00 177.10 173.95 3gpw n GLY 208 N -0.60 -0.09 0.00 0.45 0.00 -1.26 -1.38 105.19 102.31 3gpw n GLY 208 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.07 3gpw n GLY 208 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3gpw n ASP 209 N -0.85 0.56 -0.00 1.61 8.00 -1.26 -4.19 116.55 120.42 3gpw n ASP 209 Ca 0.02 -0.63 0.05 0.00 0.71 0.00 0.00 54.79 54.94 3gpw n ASP 209 Cb 0.01 1.03 -0.06 0.00 -0.02 0.00 0.00 41.12 42.07 3gpw n ASP 209 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3gpw n THR 20 N -1.22 0.00 -4.44 -3.53 -2.24 -0.48 -4.90 114.28 97.48 3gpw n THR 20 Ca 0.01 -0.26 -0.31 0.00 -2.27 0.00 0.00 64.05 61.23 3gpw n THR 20 Cb 0.12 0.81 -0.11 0.00 -2.10 0.00 0.00 70.33 69.05 3gpw n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 3gpw s ILE 210 N -2.15 3.21 -0.10 2.28 1.09 -0.79 0.87 121.20 125.61 3gpw s ILE 210 Ca 0.02 -1.13 0.02 0.00 -1.10 0.00 0.00 60.65 58.46 3gpw s ILE 210 Cb 0.07 -2.43 0.01 0.00 -1.06 0.00 0.00 42.46 39.06 3gpw s ILE 210 CO 0.42 0.26 -0.16 -0.70 -0.10 0.00 0.00 174.94 174.66 3gpw s GLU 211 N -1.74 2.26 -0.10 2.79 2.12 -0.69 -4.81 118.70 118.52 3gpw s GLU 211 Ca 0.18 -0.58 -0.07 0.00 0.36 0.00 0.00 54.97 54.85 3gpw s GLU 211 Cb -0.11 -1.88 0.04 0.00 0.26 0.00 0.00 34.13 32.43 3gpw s GLU 211 CO 0.09 -0.03 0.26 -1.17 -0.54 0.00 0.00 175.26 173.87 3gpw s LEU 212 N 0.88 0.71 0.17 2.70 0.20 -1.26 -1.68 118.68 120.41 3gpw s LEU 212 Ca -0.09 0.53 0.03 0.00 0.69 0.00 0.00 54.13 55.29 3gpw s LEU 212 Cb -0.15 0.82 -0.05 0.00 -0.43 0.00 0.00 46.19 46.38 3gpw s LEU 212 CO -0.00 -0.13 -0.03 0.00 -0.29 0.00 0.00 176.35 175.90 3gpw s ALA 213 N 0.69 1.39 0.06 5.97 0.00 -0.64 -0.53 121.76 128.69 3gpw s ALA 213 Ca -0.05 -1.57 0.01 0.00 0.00 0.00 0.00 51.96 50.35 3gpw s ALA 213 Cb -0.06 0.39 -0.03 0.00 0.00 0.00 0.00 23.12 23.41 3gpw s ALA 213 CO -0.04 -0.25 -0.05 0.96 0.00 0.00 0.00 175.76 176.38 3gpw s ILE 214 N -3.55 0.39 -0.27 0.00 -4.36 0.08 -1.62 121.20 111.86 3gpw s ILE 214 Ca 0.21 -1.54 -0.02 0.00 -0.26 0.00 0.00 60.65 59.04 3gpw s ILE 214 Cb 0.05 -1.16 0.03 0.00 1.25 0.00 0.00 42.46 42.64 3gpw s ILE 214 CO 0.03 -0.76 -0.02 -0.63 0.24 0.00 0.00 174.94 173.80 3gpw s ILE 215 N -2.91 3.06 0.00 8.37 -1.09 0.62 -1.29 121.20 127.97 3gpw s ILE 215 Ca 0.01 -1.12 0.00 0.00 -2.23 0.00 0.00 60.65 57.31 3gpw s ILE 215 Cb 0.01 -2.63 0.00 0.00 -1.58 0.00 0.00 42.46 38.25 3gpw s ILE 215 CO -0.05 0.07 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 3gpw n GLY 216 N 4.68 4.93 3.68 6.18 0.00 -0.17 -0.57 105.19 123.92 3gpw n GLY 216 Ca -0.15 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 44.91 3gpw n GLY 216 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gpw s ASP 217 N 1.10 2.41 0.18 1.61 1.01 -1.26 -4.72 116.67 117.00 3gpw s ASP 217 Ca 0.00 1.04 -0.30 0.00 0.71 0.00 0.00 52.55 54.00 3gpw s ASP 217 Cb 0.00 -1.63 -0.08 0.00 1.01 0.00 0.00 42.92 42.23 3gpw s ASP 217 CO 0.00 -3.25 0.99 -1.61 0.21 0.00 0.00 175.17 171.52 3gpw s GLU 21 N -5.08 4.73 -0.99 8.23 2.02 -1.26 -4.24 118.70 122.10 3gpw s GLU 21 Ca 0.66 1.54 -0.06 0.00 0.02 0.00 0.00 54.97 57.14 3gpw s GLU 21 Cb -0.17 -3.31 0.25 0.00 0.10 0.00 0.00 34.13 31.00 3gpw s GLU 21 CO 0.57 0.29 0.93 -0.80 0.02 0.00 0.00 175.26 176.26 3gpw s ASN 21 N -0.49 6.64 0.56 -0.19 0.01 -0.21 -4.90 114.94 116.37 3gpw s ASN 21 Ca 0.45 -3.59 0.26 0.00 -0.71 0.00 0.00 52.86 49.27 3gpw s ASN 21 Cb -0.26 -2.06 1.50 0.00 0.41 0.00 0.00 41.25 40.84 3gpw s ASN 21 CO 0.32 -0.25 2.03 1.55 -1.51 0.00 0.00 177.10 179.24 3gpw h PRO 21 N 6.43 0.00 -2.00 -0.60 0.13 -1.54 -3.23 132.00 131.19 3gpw h PRO 21 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3gpw h PRO 21 Cb 0.86 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.99 3gpw h PRO 21 CO 0.92 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 178.29 3gpw n ASP 21 N -4.06 2.79 0.00 1.44 5.75 -1.26 -4.46 116.55 116.74 3gpw n ASP 21 Ca 0.05 -1.73 0.00 0.00 -0.01 0.00 0.00 54.79 53.10 3gpw n ASP 21 Cb 0.47 -0.59 0.00 0.00 -1.03 0.00 0.00 41.12 39.97 3gpw n ASP 21 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 3gpw n LEU 21 N 1.74 0.00 0.00 -2.12 7.94 -1.22 -5.02 117.00 118.32 3gpw n LEU 21 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3gpw n LEU 21 Cb 0.26 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.21 3gpw n LEU 21 CO 0.00 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 176.89 3gpw n GLY 21 N 0.00 0.41 3.67 -3.96 0.00 -1.26 -5.02 105.19 99.03 3gpw n GLY 21 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 3gpw n GLY 21 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3gpw s TYR 21 N -2.15 -0.31 0.19 1.61 1.13 -1.26 -5.18 117.35 111.38 3gpw s TYR 21 Ca 0.00 -0.02 0.00 0.00 -1.41 0.00 0.00 57.07 55.65 3gpw s TYR 21 Cb 0.00 0.63 -0.04 0.00 -1.10 0.00 0.00 41.96 41.45 3gpw s TYR 21 CO 0.00 -0.99 0.07 0.95 -2.51 0.00 0.00 175.55 173.07 3gpw s THR 21 N -3.69 0.33 0.00 -3.49 -4.23 -1.26 -4.93 115.64 98.36 3gpw s THR 21 Ca 0.07 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 3gpw s THR 21 Cb -0.03 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.49 3gpw s THR 21 CO -0.02 -0.25 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 3gpw n GLY 21 N -0.26 1.58 2.88 3.99 0.00 -1.26 -5.07 105.19 107.05 3gpw n GLY 21 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3gpw n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gpw s ILE 21 N -2.00 1.93 0.29 -0.61 1.01 -1.26 -5.01 121.20 115.55 3gpw s ILE 21 Ca 0.00 -2.51 0.06 0.00 0.00 0.00 0.00 60.65 58.20 3gpw s ILE 21 Cb 0.00 -2.39 0.36 0.00 0.01 0.00 0.00 42.46 40.45 3gpw s ILE 21 CO 0.00 -0.74 1.42 -2.65 0.00 0.00 0.00 174.94 172.97 3gpw n PRO 21 N 3.87 -0.07 0.11 2.79 -0.02 -1.26 -0.39 135.00 140.03 3gpw n PRO 21 Ca 0.04 1.32 0.12 0.00 -2.02 0.00 0.00 63.50 62.96 3gpw n PRO 21 Cb 0.37 -2.17 0.46 0.00 -0.02 0.00 0.00 33.50 32.15 3gpw n PRO 21 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3gpw n THR 21 N -5.25 0.80 -3.28 3.45 -2.24 -1.26 -4.47 114.28 102.03 3gpw n THR 21 Ca 0.25 0.16 -0.44 0.00 -2.27 0.00 0.00 64.05 61.75 3gpw n THR 21 Cb 0.82 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.92 3gpw n THR 21 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3gpw s ASP 21 N -4.11 6.18 0.00 3.42 -0.00 0.47 -4.91 116.67 117.72 3gpw s ASP 21 Ca 0.06 -1.23 0.17 0.00 -0.00 0.00 0.00 52.55 51.54 3gpw s ASP 21 Cb 0.10 -2.23 -0.14 0.00 -0.00 0.00 0.00 42.92 40.65 3gpw s ASP 21 CO 0.41 -0.78 0.76 0.29 -0.00 0.00 0.00 175.17 175.85 3gpw n LYS 21 N 5.62 1.46 0.00 8.23 5.02 -1.26 -4.83 118.16 132.39 3gpw n LYS 21 Ca -0.10 -0.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.99 3gpw n LYS 21 Cb 0.44 -1.30 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3gpw n LYS 21 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3gpw n GLY 218 N 1.36 2.48 3.78 0.72 0.00 -1.26 -1.38 105.19 110.89 3gpw n GLY 218 Ca 0.04 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.64 3gpw n GLY 218 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3gpw s PRO 219 N -2.31 3.59 0.08 1.61 0.04 -1.26 -4.25 135.00 132.49 3gpw s PRO 219 Ca 0.00 1.58 0.22 0.00 0.04 0.00 0.00 61.00 62.84 3gpw s PRO 219 Cb 0.00 -2.14 -0.18 0.00 0.04 0.00 0.00 34.50 32.22 3gpw s PRO 219 CO 0.00 -0.64 0.74 0.54 0.04 0.00 0.00 177.00 177.67 3gpw n ARG 220 N -0.98 0.63 -2.69 4.56 1.74 -0.25 -1.04 116.66 118.63 3gpw n ARG 220 Ca 0.10 -0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.71 3gpw n ARG 220 Cb 0.51 -1.66 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3gpw n ARG 220 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 3gpw s PHE 221 N -3.45 3.76 -0.19 -1.55 5.36 -0.91 -1.00 117.98 120.00 3gpw s PHE 221 Ca -0.05 1.75 -0.10 0.00 -0.96 0.00 0.00 56.93 57.58 3gpw s PHE 221 Cb 0.12 -3.10 0.07 0.00 -0.34 0.00 0.00 43.02 39.77 3gpw s PHE 221 CO 0.86 0.02 0.45 0.50 -1.46 0.00 0.00 175.22 175.59 3gpw s ARG 222 N 0.05 0.42 0.08 10.12 3.52 -0.41 -5.00 118.95 127.73 3gpw s ARG 222 Ca 0.48 0.91 -0.23 0.00 -0.13 0.00 0.00 55.73 56.77 3gpw s ARG 222 Cb -0.24 0.09 -0.06 0.00 -1.56 0.00 0.00 34.95 33.18 3gpw s ARG 222 CO 0.30 -0.18 0.69 0.21 -0.81 0.00 0.00 175.30 175.51 3gpw s LYS 223 N 1.73 4.41 0.51 5.12 2.20 -1.26 -0.74 119.74 131.71 3gpw s LYS 223 Ca -0.08 0.95 -0.16 0.00 -0.36 0.00 0.00 55.97 56.32 3gpw s LYS 223 Cb -0.09 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.86 3gpw s LYS 223 CO -0.14 0.47 0.97 -0.51 -0.36 0.00 0.00 175.35 175.78 3gpw s LEU 224 N -0.66 3.63 0.36 5.43 1.43 0.30 -4.97 118.68 124.21 3gpw s LEU 224 Ca 0.34 1.53 -0.04 0.00 -1.03 0.00 0.00 54.13 54.93 3gpw s LEU 224 Cb -0.21 -4.47 -0.04 0.00 0.03 0.00 0.00 46.19 41.50 3gpw s LEU 224 CO 0.22 -0.58 0.62 0.42 0.23 0.00 0.00 176.35 177.26 3gpw s THR 225 N -2.61 5.00 0.19 5.49 -4.23 -1.26 -4.76 115.64 113.45 3gpw s THR 225 Ca 0.58 -0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.91 3gpw s THR 225 Cb -0.10 -3.80 0.15 0.00 1.34 0.00 0.00 72.50 70.10 3gpw s THR 225 CO 0.32 -0.52 1.61 -1.28 -0.54 0.00 0.00 174.62 174.21 3gpw h SER 226 N 1.07 -0.88 -0.45 3.99 0.87 -1.95 -0.37 113.55 115.84 3gpw h SER 226 Ca -0.48 0.20 0.04 0.00 -1.23 0.00 0.00 61.79 60.32 3gpw h SER 226 Cb 1.20 0.47 -0.04 0.00 -0.44 0.00 0.00 62.40 63.59 3gpw h SER 226 CO 0.64 -0.27 0.20 -0.61 -0.53 0.00 0.00 176.83 176.26 3gpw h GLN 227 N -0.12 0.40 -0.29 2.24 5.75 -1.94 -2.04 115.11 119.12 3gpw h GLN 227 Ca 0.25 -0.02 0.04 0.00 -0.15 0.00 0.00 58.65 58.76 3gpw h GLN 227 Cb 0.51 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 3gpw h GLN 227 CO -0.62 0.26 0.19 0.93 -2.65 0.00 0.00 178.83 176.95 3gpw h GLU 228 N 0.41 0.22 -0.01 1.69 5.08 -1.49 -1.83 114.58 118.66 3gpw h GLU 228 Ca 0.20 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.53 3gpw h GLU 228 Cb 0.14 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.34 3gpw h GLU 228 CO -0.16 0.15 -0.04 0.82 -1.00 0.00 0.00 179.01 178.77 3gpw h ILE 229 N 0.23 1.49 -0.86 3.13 2.04 -0.60 -3.18 117.51 119.76 3gpw h ILE 229 Ca 0.12 -1.51 0.08 0.00 1.00 0.00 0.00 64.86 64.55 3gpw h ILE 229 Cb 0.20 2.47 -0.06 0.00 -0.74 0.00 0.00 36.82 38.70 3gpw h ILE 229 CO -0.02 0.40 0.56 0.78 0.00 0.00 0.00 178.15 179.86 3gpw h ASN 230 N -0.55 0.81 -0.66 1.72 2.35 -0.97 -0.23 115.58 118.04 3gpw h ASN 230 Ca -0.00 0.01 0.02 0.00 -0.55 0.00 0.00 56.30 55.78 3gpw h ASN 230 Cb 0.67 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.85 3gpw h ASN 230 CO 0.01 0.50 0.44 0.44 -1.65 0.00 0.00 177.43 177.17 3gpw h ASP 231 N 0.91 0.73 1.63 5.81 3.32 -1.38 -1.66 116.42 125.78 3gpw h ASP 231 Ca 0.38 -0.01 -0.04 0.00 0.02 0.00 0.00 57.03 57.38 3gpw h ASP 231 Cb 0.30 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.67 3gpw h ASP 231 CO -0.15 0.52 -0.37 0.03 -1.72 0.00 0.00 179.24 177.54 3gpw h ARG 232 N 0.85 0.00 0.00 3.56 3.08 -1.09 -3.26 114.38 117.53 3gpw h ARG 232 Ca 0.25 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 3gpw h ARG 232 Cb -0.03 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3gpw h ARG 232 CO -0.06 0.15 -0.23 -0.07 -1.07 0.00 0.00 179.97 178.68 3gpw h LEU 233 N 0.00 0.00 -0.85 3.04 3.38 -0.21 -2.90 115.31 117.77 3gpw h LEU 233 Ca -0.01 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.84 3gpw h LEU 233 Cb 1.13 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.87 3gpw h LEU 233 CO 0.02 0.23 -0.57 -0.33 0.09 0.00 0.00 178.44 177.88 3gpw h GLU 234 N 0.00 0.00 -0.82 1.13 5.08 -1.53 -2.32 114.58 116.12 3gpw h GLU 234 Ca -0.00 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.22 3gpw h GLU 234 Cb 0.83 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.00 3gpw h GLU 234 CO 0.03 0.57 0.18 0.00 -1.00 0.00 0.00 179.01 178.79 3gpw n ALA 235 N -2.43 3.94 1.26 3.43 0.00 -1.10 -5.16 120.51 120.45 3gpw n ALA 235 Ca -0.01 -1.60 0.10 0.00 0.00 0.00 0.00 53.44 51.92 3gpw n ALA 235 Cb 0.58 -1.18 0.60 0.00 0.00 0.00 0.00 19.45 19.45 3gpw n ALA 235 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39