#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ghf s ALA -7 N 0.00 2.82 0.12 -5.12 0.00 -1.26 -5.06 121.76 113.25 2ghf s ALA -7 Ca 0.00 -1.81 -0.25 0.00 0.00 0.00 0.00 51.96 49.90 2ghf s ALA -7 Cb 0.00 -1.94 0.07 0.00 0.00 0.00 0.00 23.12 21.25 2ghf s ALA -7 CO 0.00 -1.30 0.85 -1.58 0.00 0.00 0.00 175.76 173.73 2ghf s HIS -6 N 1.23 -0.27 -0.84 0.00 5.65 -1.26 -5.07 115.29 114.74 2ghf s HIS -6 Ca -0.05 0.02 -0.25 0.00 0.25 0.00 0.00 55.06 55.03 2ghf s HIS -6 Cb -0.20 0.60 0.03 0.00 -1.18 0.00 0.00 32.58 31.83 2ghf s HIS -6 CO -0.02 -0.79 1.41 -1.01 -0.65 0.00 0.00 174.74 173.69 2ghf s HIS -5 N -3.38 2.31 0.25 3.88 4.02 -1.26 -4.81 115.29 116.30 2ghf s HIS -5 Ca 0.08 -0.24 0.19 0.00 1.02 0.00 0.00 55.06 56.11 2ghf s HIS -5 Cb -0.02 -4.59 0.84 0.00 -1.02 0.00 0.00 32.58 27.79 2ghf s HIS -5 CO -0.03 -2.03 1.82 0.45 1.02 0.00 0.00 174.74 175.96 2ghf h HIS -4 N 10.34 0.00 0.06 1.40 3.86 -1.98 -3.08 115.15 125.74 2ghf h HIS -4 Ca -0.09 0.00 -0.34 0.00 -1.16 0.00 0.00 60.37 58.78 2ghf h HIS -4 Cb 1.04 0.00 -0.03 0.00 1.06 0.00 0.00 27.41 29.48 2ghf h HIS -4 CO 1.18 0.32 -1.89 0.72 0.86 0.00 0.00 177.93 179.12 2ghf n HIS -3 N -3.65 0.92 -2.55 2.45 -0.00 -1.26 -5.05 115.22 106.07 2ghf n HIS -3 Ca -0.01 0.26 -0.06 0.00 -0.00 0.00 0.00 57.72 57.92 2ghf n HIS -3 Cb 0.43 -1.11 0.01 0.00 -0.00 0.00 0.00 29.99 29.32 2ghf n HIS -3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ghf n HIS -2 N -3.81 -2.66 0.43 4.41 -0.00 -1.17 -4.90 115.22 107.53 2ghf n HIS -2 Ca -0.36 1.07 -0.01 0.00 -0.00 0.00 0.00 57.72 58.42 2ghf n HIS -2 Cb 0.92 -3.50 0.09 0.00 -0.00 0.00 0.00 29.99 27.50 2ghf n HIS -2 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ghf n HIS -1 N -0.46 0.69 -2.32 1.57 -0.00 -1.26 -4.80 115.22 108.63 2ghf n HIS -1 Ca 0.08 -0.44 -0.42 0.00 -0.00 0.00 0.00 57.72 56.94 2ghf n HIS -1 Cb 0.37 -0.30 -0.02 0.00 -0.00 0.00 0.00 29.99 30.03 2ghf n HIS -1 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2ghf s ASN 60 N -0.02 6.12 0.21 0.41 2.47 -1.26 -4.95 114.94 117.92 2ghf s ASN 60 Ca 0.16 0.56 0.04 0.00 0.42 0.00 0.00 52.86 54.03 2ghf s ASN 60 Cb 0.12 -2.54 -0.05 0.00 -1.45 0.00 0.00 41.25 37.33 2ghf s ASN 60 CO 0.04 -1.66 -0.02 -1.10 -3.72 0.00 0.00 177.10 170.64 2ghf s GLN 61 N 5.43 1.27 0.00 0.43 -0.21 -1.26 -5.00 119.66 120.32 2ghf s GLN 61 Ca 0.59 -1.62 0.21 0.00 0.02 0.00 0.00 55.36 54.55 2ghf s GLN 61 Cb -0.13 -0.59 0.47 0.00 1.00 0.00 0.00 33.01 33.76 2ghf s GLN 61 CO 0.28 -0.07 1.40 1.04 -2.12 0.00 0.00 175.29 175.82 2ghf n GLN 62 N -0.36 2.53 0.00 2.91 6.02 -1.26 -5.07 117.38 122.15 2ghf n GLN 62 Ca -0.06 -2.33 0.00 0.00 -0.01 0.00 0.00 57.00 54.60 2ghf n GLN 62 Cb 0.63 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 30.41 2ghf n GLN 62 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2ghf n ASN 63 N 1.37 -0.04 0.00 1.08 4.13 -1.26 -2.42 115.26 118.12 2ghf n ASN 63 Ca 0.19 0.00 0.08 0.00 1.68 0.00 0.00 54.58 56.54 2ghf n ASN 63 Cb 0.57 0.00 0.43 0.00 -1.54 0.00 0.00 39.78 39.25 2ghf n ASN 63 CO 0.00 0.00 0.00 2.29 0.28 0.00 0.00 177.26 179.83 2ghf n LYS 64 N 0.00 0.29 0.00 3.52 2.85 -1.26 -4.98 118.16 118.58 2ghf n LYS 64 Ca 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 58.31 57.36 2ghf n LYS 64 Cb 0.00 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 32.88 2ghf n LYS 64 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2ghf n LYS 65 N -1.23 0.00 -4.05 -1.58 0.00 -1.02 -4.67 118.16 105.62 2ghf n LYS 65 Ca 0.09 0.00 -0.35 0.00 0.00 0.00 0.00 58.31 58.05 2ghf n LYS 65 Cb 0.12 0.00 -0.13 0.00 0.00 0.00 0.00 35.03 35.02 2ghf n LYS 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 2ghf s VAL 66 N 0.00 3.98 0.00 3.15 0.11 -1.26 -5.05 120.40 121.33 2ghf s VAL 66 Ca 0.00 -0.30 0.00 0.00 -2.93 0.00 0.00 61.98 58.75 2ghf s VAL 66 Cb 0.00 -2.80 0.00 0.00 -1.53 0.00 0.00 36.38 32.05 2ghf s VAL 66 CO 0.00 0.42 0.00 -0.62 -3.33 0.00 0.00 175.10 171.57 2ghf n GLU 67 N 4.29 0.00 -0.33 1.54 1.02 -1.26 -4.95 120.64 120.94 2ghf n GLU 67 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2ghf n GLU 67 Cb 0.52 -0.08 0.00 0.00 -0.02 0.00 0.00 31.44 31.86 2ghf n GLU 67 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2ghf n GLY 68 N 2.83 -0.33 0.00 0.62 0.00 -1.26 -4.98 105.19 102.07 2ghf n GLY 68 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ghf n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ghf n GLY 69 N 0.00 6.89 3.39 -0.02 0.00 -1.26 -4.52 105.19 109.67 2ghf n GLY 69 Ca 0.00 -1.83 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 2ghf n GLY 69 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2ghf s TYR 70 N 0.55 3.16 -0.05 1.61 2.02 0.65 -4.77 117.35 120.52 2ghf s TYR 70 Ca 0.00 -0.79 -0.16 0.00 -0.37 0.00 0.00 57.07 55.76 2ghf s TYR 70 Cb 0.00 -2.30 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 2ghf s TYR 70 CO 0.00 -0.52 0.42 -2.00 -1.57 0.00 0.00 175.55 171.88 2ghf s GLU 71 N 1.55 4.07 0.43 -0.62 2.12 -1.26 -1.77 118.70 123.22 2ghf s GLU 71 Ca 0.04 0.39 -0.21 0.00 0.36 0.00 0.00 54.97 55.55 2ghf s GLU 71 Cb -0.17 -3.30 -0.11 0.00 0.26 0.00 0.00 34.13 30.81 2ghf s GLU 71 CO 0.04 0.50 0.95 0.00 -0.54 0.00 0.00 175.26 176.20 2ghf h LYS 73 N 1.95 0.00 -0.03 0.00 1.63 -0.63 -3.17 116.57 116.32 2ghf h LYS 73 Ca -0.49 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.31 2ghf h LYS 73 Cb 1.18 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.81 2ghf h LYS 73 CO 0.61 0.00 0.00 2.48 -3.45 0.00 0.00 179.45 179.09 2ghf n TYR 74 N -3.09 0.05 -3.57 1.91 4.11 -1.26 -4.58 117.16 110.73 2ghf n TYR 74 Ca -0.00 -0.61 -0.12 0.00 -0.00 0.00 0.00 57.90 57.17 2ghf n TYR 74 Cb 0.25 -0.07 -0.05 0.00 -0.00 0.00 0.00 39.34 39.46 2ghf n TYR 74 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2ghf n THR 76 N 0.85 0.11 -2.26 0.00 -1.04 -1.26 -3.03 114.28 107.65 2ghf n THR 76 Ca -0.12 -0.24 -0.42 0.00 -2.04 0.00 0.00 64.05 61.23 2ghf n THR 76 Cb 0.58 0.22 -0.03 0.00 -1.82 0.00 0.00 70.33 69.28 2ghf n THR 76 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 2ghf s PHE 77 N -1.89 2.12 -0.07 -1.42 0.08 -1.26 -4.91 117.98 110.62 2ghf s PHE 77 Ca 0.34 0.58 -0.00 0.00 0.12 0.00 0.00 56.93 57.97 2ghf s PHE 77 Cb 0.18 -4.29 -0.03 0.00 -0.57 0.00 0.00 43.02 38.31 2ghf s PHE 77 CO 0.28 -2.20 -0.05 -1.14 -0.10 0.00 0.00 175.22 172.01 2ghf s GLN 78 N 5.69 2.83 -0.10 0.44 0.74 -1.26 -4.07 119.66 123.93 2ghf s GLN 78 Ca 0.61 -0.50 -0.05 0.00 0.05 0.00 0.00 55.36 55.46 2ghf s GLN 78 Cb -0.13 -2.66 0.05 0.00 1.10 0.00 0.00 33.01 31.37 2ghf s GLN 78 CO 0.27 0.67 0.23 -0.08 -0.55 0.00 0.00 175.29 175.83 2ghf s THR 79 N -0.81 -0.08 -1.45 -0.34 -1.32 -0.73 -4.85 115.64 106.06 2ghf s THR 79 Ca 0.12 0.17 0.17 0.00 -1.21 0.00 0.00 61.69 60.94 2ghf s THR 79 Cb -0.11 -0.37 0.30 0.00 -1.51 0.00 0.00 72.50 70.81 2ghf s THR 79 CO 0.02 0.07 1.50 -0.81 -2.21 0.00 0.00 174.62 173.18 2ghf n PRO 80 N 4.34 0.25 -3.06 7.08 -0.04 -1.26 -0.25 135.00 142.06 2ghf n PRO 80 Ca -0.24 0.12 -0.43 0.00 -0.04 0.00 0.00 63.50 62.92 2ghf n PRO 80 Cb 0.52 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.42 2ghf n PRO 80 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2ghf s ASP 81 N -2.55 6.34 0.27 3.54 1.01 -1.26 -4.82 116.67 119.20 2ghf s ASP 81 Ca 0.16 -0.30 -0.02 0.00 0.71 0.00 0.00 52.55 53.11 2ghf s ASP 81 Cb 0.11 -2.34 0.46 0.00 1.01 0.00 0.00 42.92 42.16 2ghf s ASP 81 CO 0.26 -0.84 1.84 0.25 0.21 0.00 0.00 175.17 176.89 2ghf h LEU 82 N 9.87 0.89 -0.18 1.23 7.12 -1.98 0.23 115.31 132.49 2ghf h LEU 82 Ca -0.25 0.04 0.05 0.00 0.13 0.00 0.00 57.88 57.84 2ghf h LEU 82 Cb 1.09 -0.15 -0.06 0.00 -0.53 0.00 0.00 40.66 41.02 2ghf h LEU 82 CO 0.92 0.51 -0.17 -1.13 -0.13 0.00 0.00 178.44 178.45 2ghf h ASN 83 N 0.99 -0.54 0.52 1.25 -0.00 -1.96 0.22 115.58 116.07 2ghf h ASN 83 Ca 0.45 0.10 -0.13 0.00 -0.00 0.00 0.00 56.30 56.72 2ghf h ASN 83 Cb 0.35 0.26 -0.02 0.00 -0.00 0.00 0.00 38.32 38.92 2ghf h ASN 83 CO -0.23 -0.22 -0.59 0.24 -0.00 0.00 0.00 177.43 176.63 2ghf h MET 84 N -0.19 0.07 0.48 6.67 2.86 -1.70 0.10 114.93 123.22 2ghf h MET 84 Ca 0.11 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2ghf h MET 84 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2ghf h MET 84 CO -0.29 0.64 -0.23 0.35 1.06 0.00 0.00 176.91 178.43 2ghf h PHE 85 N 0.05 -0.60 0.00 -0.22 3.57 0.39 0.66 116.94 120.79 2ghf h PHE 85 Ca -0.01 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.39 2ghf h PHE 85 Cb 1.06 0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 2ghf h PHE 85 CO 0.01 -0.29 -0.45 0.00 -2.23 0.00 0.00 178.31 175.34 2ghf h THR 86 N -0.84 0.98 0.08 4.41 1.03 -0.48 -1.09 112.91 117.01 2ghf h THR 86 Ca -0.07 -1.78 -0.00 0.00 -0.01 0.00 0.00 66.41 64.55 2ghf h THR 86 Cb 0.58 2.07 0.00 0.00 -1.07 0.00 0.00 68.15 69.72 2ghf h THR 86 CO 0.11 0.44 -0.04 0.15 -0.01 0.00 0.00 175.52 176.17 2ghf h PHE 87 N 0.00 -0.10 0.00 0.00 3.57 -0.75 0.22 116.94 119.88 2ghf h PHE 87 Ca -0.00 -0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.42 2ghf h PHE 87 Cb 1.03 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2ghf h PHE 87 CO 0.00 0.31 -0.36 1.12 -2.23 0.00 0.00 178.31 177.15 2ghf h HIS 88 N -0.54 0.00 0.35 0.41 2.07 -0.72 0.20 115.15 116.93 2ghf h HIS 88 Ca -0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.49 2ghf h HIS 88 Cb 0.45 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.44 2ghf h HIS 88 CO 0.06 0.36 -0.17 0.28 -3.07 0.00 0.00 177.93 175.40 2ghf h VAL 89 N 0.00 0.63 0.00 6.12 2.07 -1.10 0.20 116.25 124.17 2ghf h VAL 89 Ca -0.00 -0.53 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2ghf h VAL 89 Cb 0.67 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.32 2ghf h VAL 89 CO 0.05 0.10 -0.02 -0.78 0.02 0.00 0.00 177.57 176.94 2ghf h ASP 90 N -0.78 0.00 0.01 0.57 3.58 -0.18 0.31 116.42 119.93 2ghf h ASP 90 Ca -0.05 0.00 -0.10 0.00 0.42 0.00 0.00 57.03 57.30 2ghf h ASP 90 Cb 0.52 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.55 2ghf h ASP 90 CO 0.08 0.02 -0.55 -1.28 -2.88 0.00 0.00 179.24 174.62 2ghf h SER 91 N 0.00 0.02 0.06 2.28 0.87 -0.91 -3.36 113.55 112.51 2ghf h SER 91 Ca -0.00 -0.80 -0.37 0.00 -1.23 0.00 0.00 61.79 59.38 2ghf h SER 91 Cb 0.03 -0.01 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 2ghf h SER 91 CO 0.00 1.22 -2.33 -0.62 -0.53 0.00 0.00 176.83 174.58 2ghf n GLU 92 N -4.51 0.68 -3.19 2.24 -0.58 0.71 -4.65 120.64 111.34 2ghf n GLU 92 Ca -0.19 0.14 -0.22 0.00 -0.42 0.00 0.00 57.16 56.47 2ghf n GLU 92 Cb 0.58 -1.57 -0.05 0.00 -0.57 0.00 0.00 31.44 29.83 2ghf n GLU 92 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 2ghf n HIS 93 N -3.16 0.85 0.19 -0.32 1.44 0.10 -5.01 115.22 109.31 2ghf n HIS 93 Ca -0.39 -3.78 -0.08 0.00 -2.01 0.00 0.00 57.72 51.46 2ghf n HIS 93 Cb 1.04 -0.42 -0.04 0.00 0.12 0.00 0.00 29.99 30.70 2ghf n HIS 93 CO 0.00 0.00 0.00 -1.00 -2.81 0.00 0.00 176.34 172.53 2ghf h PRO 94 N 3.50 -0.48 -4.97 -1.40 0.13 -1.55 -3.41 132.00 123.82 2ghf h PRO 94 Ca 0.10 0.03 -0.64 0.00 -0.87 0.00 0.00 66.00 64.62 2ghf h PRO 94 Cb 0.84 0.11 -0.20 0.00 0.13 0.00 0.00 31.00 31.88 2ghf h PRO 94 CO 0.56 -0.32 -0.59 1.21 -0.23 0.00 0.00 178.00 178.64 2ghf s ASN 95 N -3.30 5.45 -0.07 1.44 3.84 -1.26 -4.88 114.94 116.15 2ghf s ASN 95 Ca -0.07 -0.12 -0.10 0.00 0.21 0.00 0.00 52.86 52.78 2ghf s ASN 95 Cb 0.01 -1.99 0.02 0.00 -0.55 0.00 0.00 41.25 38.74 2ghf s ASN 95 CO 0.22 -0.02 0.25 0.54 -2.79 0.00 0.00 177.10 175.30 2ghf s VAL 96 N 1.53 0.02 -0.19 -5.21 0.11 -1.26 -5.14 120.40 110.25 2ghf s VAL 96 Ca 0.06 -0.16 0.01 0.00 -2.93 0.00 0.00 61.98 58.96 2ghf s VAL 96 Cb -0.15 -0.41 0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2ghf s VAL 96 CO 0.06 -0.09 -0.09 -0.69 -3.33 0.00 0.00 175.10 170.96 2ghf s VAL 97 N -0.27 1.53 0.50 2.04 1.01 -1.26 -4.41 120.40 119.55 2ghf s VAL 97 Ca -0.04 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.06 2ghf s VAL 97 Cb -0.03 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.72 2ghf s VAL 97 CO 0.01 0.16 0.32 -0.76 0.00 0.00 0.00 175.10 174.82 2ghf s LEU 98 N 1.44 2.81 0.00 3.92 2.01 -1.26 -5.07 118.68 122.53 2ghf s LEU 98 Ca -0.01 -1.20 0.00 0.00 0.01 0.00 0.00 54.13 52.93 2ghf s LEU 98 Cb -0.16 -1.28 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2ghf s LEU 98 CO -0.08 -0.92 0.00 -3.20 1.01 0.00 0.00 176.35 173.16 2ghf n ASN 99 N -1.59 3.62 -3.49 2.29 2.85 -1.26 -4.21 115.26 113.47 2ghf n ASN 99 Ca -0.03 0.00 -0.26 0.00 -0.11 0.00 0.00 54.58 54.18 2ghf n ASN 99 Cb 0.64 0.28 -0.13 0.00 1.24 0.00 0.00 39.78 41.81 2ghf n ASN 99 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2ghf s SER 100 N -2.88 2.97 0.18 1.20 0.01 -1.26 -4.51 113.70 109.41 2ghf s SER 100 Ca 0.00 -1.42 -0.09 0.00 1.31 0.00 0.00 55.95 55.75 2ghf s SER 100 Cb 0.00 -0.17 -0.01 0.00 0.21 0.00 0.00 66.02 66.05 2ghf s SER 100 CO 0.00 -0.39 0.31 -0.44 0.41 0.00 0.00 173.24 173.12 2ghf s SER 101 N 1.87 0.03 -0.05 2.44 0.01 -1.26 -5.01 113.70 111.73 2ghf s SER 101 Ca 0.12 -0.94 0.05 0.00 1.31 0.00 0.00 55.95 56.49 2ghf s SER 101 Cb -0.17 0.46 -0.02 0.00 0.21 0.00 0.00 66.02 66.50 2ghf s SER 101 CO -0.26 -0.94 -0.19 -0.31 0.41 0.00 0.00 173.24 171.96 2ghf s TYR 102 N -4.00 2.57 -0.01 2.43 1.51 -1.26 -0.48 117.35 118.11 2ghf s TYR 102 Ca 0.21 -0.32 0.04 0.00 -1.01 0.00 0.00 57.07 55.98 2ghf s TYR 102 Cb 0.03 -1.60 -0.01 0.00 -0.11 0.00 0.00 41.96 40.27 2ghf s TYR 102 CO 0.03 0.06 -0.12 0.54 -1.11 0.00 0.00 175.55 174.95 2ghf s VAL 103 N -0.58 0.99 -0.65 0.71 0.11 -0.41 -2.26 120.40 118.31 2ghf s VAL 103 Ca 0.08 -0.52 -0.27 0.00 -2.93 0.00 0.00 61.98 58.34 2ghf s VAL 103 Cb -0.11 -0.83 0.03 0.00 -1.53 0.00 0.00 36.38 33.94 2ghf s VAL 103 CO 0.01 0.28 1.21 0.00 -3.33 0.00 0.00 175.10 173.27 2ghf h VAL 105 N 6.09 0.89 -0.95 0.00 2.07 -1.79 1.10 116.25 123.65 2ghf h VAL 105 Ca -0.26 -0.15 0.05 0.00 0.82 0.00 0.00 66.70 67.16 2ghf h VAL 105 Cb 1.05 0.42 -0.06 0.00 -1.52 0.00 0.00 31.29 31.19 2ghf h VAL 105 CO 1.22 0.08 0.61 -0.33 0.02 0.00 0.00 177.57 179.17 2ghf h GLU 106 N 0.42 1.11 0.00 1.57 4.39 -1.89 -2.50 114.58 117.69 2ghf h GLU 106 Ca 0.29 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.93 2ghf h GLU 106 Cb 0.58 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.98 2ghf h GLU 106 CO -0.08 0.73 -1.50 0.00 -1.16 0.00 0.00 179.01 177.00 2ghf n ASN 108 N -1.90 -5.53 -4.02 0.00 5.03 0.37 -5.03 115.26 104.18 2ghf n ASN 108 Ca -0.01 -0.92 -0.28 0.00 0.87 0.00 0.00 54.58 54.24 2ghf n ASN 108 Cb 0.40 -3.33 -0.17 0.00 -1.02 0.00 0.00 39.78 35.66 2ghf n ASN 108 CO 0.00 0.00 0.00 0.72 -1.83 0.00 0.00 177.26 176.15 2ghf s PHE 109 N -3.35 1.90 -0.13 3.10 -0.12 -1.10 -4.94 117.98 113.33 2ghf s PHE 109 Ca 0.37 -0.93 -0.15 0.00 -0.05 0.00 0.00 56.93 56.17 2ghf s PHE 109 Cb -0.13 -1.40 -0.05 0.00 -0.63 0.00 0.00 43.02 40.81 2ghf s PHE 109 CO 0.86 -0.51 0.35 -0.51 -0.05 0.00 0.00 175.22 175.36 2ghf s LEU 110 N 1.18 4.28 0.24 -1.99 1.43 -1.26 -1.79 118.68 120.77 2ghf s LEU 110 Ca -0.03 0.64 0.09 0.00 -1.03 0.00 0.00 54.13 53.80 2ghf s LEU 110 Cb -0.14 -2.47 -0.05 0.00 0.03 0.00 0.00 46.19 43.56 2ghf s LEU 110 CO -0.04 0.11 -0.15 0.28 0.23 0.00 0.00 176.35 176.78 2ghf s THR 111 N 0.27 2.00 -0.38 5.49 -1.32 -0.96 0.02 115.64 120.76 2ghf s THR 111 Ca 0.20 -2.27 0.10 0.00 -1.21 0.00 0.00 61.69 58.51 2ghf s THR 111 Cb -0.14 -2.20 0.65 0.00 -1.51 0.00 0.00 72.50 69.30 2ghf s THR 111 CO 0.07 -0.48 1.56 2.29 -2.21 0.00 0.00 174.62 175.85 2ghf n LYS 112 N -0.50 3.80 -3.77 7.08 2.85 -1.26 -4.24 118.16 122.12 2ghf n LYS 112 Ca -0.07 -2.55 -0.13 0.00 -1.05 0.00 0.00 58.31 54.51 2ghf n LYS 112 Cb 0.61 -2.10 -0.10 0.00 -0.65 0.00 0.00 35.03 32.79 2ghf n LYS 112 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 177.40 176.37 2ghf s ARG 113 N -2.49 0.53 0.19 -1.58 1.70 -1.26 -5.02 118.95 111.02 2ghf s ARG 113 Ca 0.45 0.05 0.26 0.00 -0.47 0.00 0.00 55.73 56.02 2ghf s ARG 113 Cb 0.35 0.24 0.84 0.00 -0.57 0.00 0.00 34.95 35.81 2ghf s ARG 113 CO 0.12 -0.12 1.78 2.48 -1.08 0.00 0.00 175.30 178.49 2ghf n TYR 114 N 1.96 0.85 -0.25 5.89 0.18 -1.26 -3.49 117.16 121.04 2ghf n TYR 114 Ca -0.18 0.25 -0.07 0.00 1.88 0.00 0.00 57.90 59.78 2ghf n TYR 114 Cb 0.57 -0.90 0.05 0.00 -0.38 0.00 0.00 39.34 38.67 2ghf n TYR 114 CO 0.00 0.00 0.00 -0.44 -2.08 0.00 0.00 176.86 174.34 2ghf h ASP 115 N 0.00 1.02 0.18 9.48 3.32 -1.99 -2.95 116.42 125.48 2ghf h ASP 115 Ca 0.00 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 2ghf h ASP 115 Cb 0.72 -0.27 -0.00 0.00 0.22 0.00 0.00 39.33 40.00 2ghf h ASP 115 CO 0.00 0.95 -0.06 0.00 -1.72 0.00 0.00 179.24 178.41 2ghf h ALA 116 N 1.11 1.41 0.05 3.45 0.00 -1.97 0.20 119.26 123.50 2ghf h ALA 116 Ca 0.23 -0.05 -0.26 0.00 0.00 0.00 0.00 54.91 54.82 2ghf h ALA 116 Cb 0.29 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2ghf h ALA 116 CO -0.01 0.07 -1.33 -0.07 0.00 0.00 0.00 179.25 177.92 2ghf h LEU 117 N 0.00 0.17 -0.07 0.00 -0.00 -1.74 -2.18 115.31 111.49 2ghf h LEU 117 Ca -0.00 -0.22 -0.17 0.00 -0.00 0.00 0.00 57.88 57.49 2ghf h LEU 117 Cb 0.16 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 40.78 2ghf h LEU 117 CO 0.01 1.18 -0.63 0.28 -0.00 0.00 0.00 178.44 179.28 2ghf h SER 118 N 0.03 0.68 1.89 -0.43 0.02 -0.62 -3.03 113.55 112.10 2ghf h SER 118 Ca -0.15 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 60.12 2ghf h SER 118 Cb 1.92 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 64.25 2ghf h SER 118 CO 0.14 1.26 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.69 2ghf h GLU 119 N 0.16 0.00 -0.33 3.45 5.08 -1.01 -3.38 114.58 118.55 2ghf h GLU 119 Ca -0.06 0.00 0.06 0.00 -1.00 0.00 0.00 59.36 58.36 2ghf h GLU 119 Cb 1.29 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.45 2ghf h GLU 119 CO 0.13 0.00 -0.45 1.25 -1.00 0.00 0.00 179.01 178.93 2ghf h HIS 120 N 0.00 -1.33 0.00 4.33 2.76 -1.26 0.24 115.15 119.89 2ghf h HIS 120 Ca 0.00 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.24 2ghf h HIS 120 Cb 0.98 0.63 0.00 0.00 1.55 0.00 0.00 27.41 30.57 2ghf h HIS 120 CO 0.00 -0.47 0.00 -2.95 -1.30 0.00 0.00 177.93 173.21 2ghf h ASN 121 N -0.39 0.00 0.04 3.26 -1.07 -1.73 0.85 115.58 116.53 2ghf h ASN 121 Ca 0.11 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.48 2ghf h ASN 121 Cb 0.60 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.85 2ghf h ASN 121 CO -0.53 0.00 -0.02 0.25 0.07 0.00 0.00 177.43 177.20 2ghf h LEU 122 N 0.00 -0.04 0.00 6.14 5.85 -1.05 -2.91 115.31 123.30 2ghf h LEU 122 Ca 0.00 -0.60 -0.26 0.00 0.84 0.00 0.00 57.88 57.86 2ghf h LEU 122 Cb 0.30 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.29 2ghf h LEU 122 CO 0.00 0.71 -1.99 2.29 -0.34 0.00 0.00 178.44 179.11 2ghf n LYS 123 N -4.74 0.54 -0.08 1.25 2.85 0.58 -4.33 118.16 114.24 2ghf n LYS 123 Ca -0.07 0.09 -0.12 0.00 -1.05 0.00 0.00 58.31 57.15 2ghf n LYS 123 Cb 0.31 -1.35 -0.08 0.00 -0.65 0.00 0.00 35.03 33.26 2ghf n LYS 123 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 177.40 179.23 2ghf h TYR 124 N 0.00 0.00 -2.36 5.58 -1.99 0.24 -3.41 116.97 115.03 2ghf h TYR 124 Ca -0.39 0.00 -0.64 0.00 2.00 0.00 0.00 58.73 59.70 2ghf h TYR 124 Cb 1.62 0.00 -0.39 0.00 2.00 0.00 0.00 36.73 39.96 2ghf h TYR 124 CO 0.02 0.80 -0.30 0.72 -0.00 0.00 0.00 178.16 179.40 2ghf n HIS 125 N -4.58 3.37 -2.39 4.88 8.25 0.20 -4.94 115.22 120.00 2ghf n HIS 125 Ca -0.16 -3.83 -0.33 0.00 -0.26 0.00 0.00 57.72 53.14 2ghf n HIS 125 Cb 0.43 -0.71 -0.02 0.00 1.12 0.00 0.00 29.99 30.80 2ghf n HIS 125 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2ghf s PRO 126 N -2.54 3.68 0.00 -0.41 0.04 -1.10 -4.26 135.00 130.41 2ghf s PRO 126 Ca 0.38 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2ghf s PRO 126 Cb 0.12 -2.08 0.00 0.00 0.04 0.00 0.00 34.50 32.58 2ghf s PRO 126 CO 0.01 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.94 2ghf n GLY 127 N -0.58 3.06 3.82 0.56 0.00 -1.26 -5.01 105.19 105.79 2ghf n GLY 127 Ca 0.09 -0.40 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2ghf n GLY 127 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ghf s GLU 128 N 0.00 2.06 -0.38 1.61 4.04 -1.26 -5.13 118.70 119.64 2ghf s GLU 128 Ca 0.00 -1.28 0.01 0.00 0.04 0.00 0.00 54.97 53.74 2ghf s GLU 128 Cb 0.00 0.61 0.13 0.00 0.02 0.00 0.00 34.13 34.89 2ghf s GLU 128 CO 0.00 -0.95 0.20 -2.00 -1.84 0.00 0.00 175.26 170.67 2ghf s GLU 129 N -2.94 0.87 -0.35 -4.83 2.12 -1.26 -4.72 118.70 107.59 2ghf s GLU 129 Ca 0.14 -1.54 0.03 0.00 0.36 0.00 0.00 54.97 53.96 2ghf s GLU 129 Cb -0.05 -1.84 0.16 0.00 0.26 0.00 0.00 34.13 32.65 2ghf s GLU 129 CO 0.10 -1.14 0.39 -0.80 -0.54 0.00 0.00 175.26 173.26 2ghf s ASN 130 N 0.90 0.89 -0.09 -1.70 0.01 -1.26 -5.13 114.94 108.56 2ghf s ASN 130 Ca 0.16 -1.17 -0.02 0.00 -0.71 0.00 0.00 52.86 51.12 2ghf s ASN 130 Cb -0.22 0.77 -0.03 0.00 0.41 0.00 0.00 41.25 42.17 2ghf s ASN 130 CO -0.05 -0.29 0.00 -0.36 -1.51 0.00 0.00 177.10 174.89 2ghf s PHE 131 N 1.82 3.17 0.36 2.20 0.08 -1.26 -3.40 117.98 120.93 2ghf s PHE 131 Ca 0.14 0.19 0.08 0.00 0.12 0.00 0.00 56.93 57.46 2ghf s PHE 131 Cb -0.14 -1.80 -0.03 0.00 -0.57 0.00 0.00 43.02 40.48 2ghf s PHE 131 CO -0.13 0.46 0.24 -1.59 -0.10 0.00 0.00 175.22 174.10 2ghf s LYS 132 N -0.84 2.53 -0.07 0.44 -2.85 0.20 -4.94 119.74 114.22 2ghf s LYS 132 Ca 0.13 -1.46 0.05 0.00 -1.00 0.00 0.00 55.97 53.69 2ghf s LYS 132 Cb -0.11 -2.32 -0.00 0.00 -2.06 0.00 0.00 37.83 33.33 2ghf s LYS 132 CO 0.02 0.04 -0.22 -0.48 0.10 0.00 0.00 175.35 174.81 2ghf s LEU 133 N -3.96 2.01 -0.14 2.77 2.34 -1.26 -1.99 118.68 118.46 2ghf s LEU 133 Ca 0.41 -0.48 -0.05 0.00 0.06 0.00 0.00 54.13 54.07 2ghf s LEU 133 Cb -0.04 -1.27 0.07 0.00 -0.56 0.00 0.00 46.19 44.39 2ghf s LEU 133 CO 0.25 0.19 0.29 0.28 -1.06 0.00 0.00 176.35 176.30 2ghf s THR 134 N 0.08 -0.38 -0.49 5.48 -1.32 0.34 -4.98 115.64 114.38 2ghf s THR 134 Ca -0.09 0.24 -0.16 0.00 -1.21 0.00 0.00 61.69 60.47 2ghf s THR 134 Cb -0.15 -0.47 0.08 0.00 -1.51 0.00 0.00 72.50 70.45 2ghf s THR 134 CO 0.05 0.10 0.42 -0.32 -2.21 0.00 0.00 174.62 172.66 2ghf s MET 135 N 2.24 2.98 -0.24 7.08 0.00 -1.26 0.42 119.30 130.52 2ghf s MET 135 Ca -0.01 -1.42 -0.03 0.00 0.00 0.00 0.00 55.69 54.23 2ghf s MET 135 Cb -0.12 -4.17 0.12 0.00 0.00 0.00 0.00 34.83 30.67 2ghf s MET 135 CO -0.09 -1.09 0.33 0.14 0.00 0.00 0.00 175.02 174.31 2ghf s VAL 136 N 1.63 -0.51 -0.19 10.11 -7.23 -1.20 -4.93 120.40 118.08 2ghf s VAL 136 Ca 0.04 -0.13 -0.05 0.00 -1.81 0.00 0.00 61.98 60.04 2ghf s VAL 136 Cb -0.25 -0.80 0.07 0.00 0.56 0.00 0.00 36.38 35.95 2ghf s VAL 136 CO 0.06 -0.18 0.09 -0.75 -0.31 0.00 0.00 175.10 174.01 2ghf s LYS 137 N 2.47 0.16 0.13 4.82 2.47 -1.26 -4.78 119.74 123.76 2ghf s LYS 137 Ca 0.11 -0.20 0.05 0.00 -1.56 0.00 0.00 55.97 54.37 2ghf s LYS 137 Cb -0.15 -1.79 -0.04 0.00 -1.46 0.00 0.00 37.83 34.39 2ghf s LYS 137 CO -0.17 -0.72 0.09 1.03 0.16 0.00 0.00 175.35 175.74 2ghf s ARG 138 N 2.09 2.79 0.00 4.03 1.81 -1.26 -3.72 118.95 124.69 2ghf s ARG 138 Ca 0.03 -0.85 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 2ghf s ARG 138 Cb -0.16 -2.62 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 2ghf s ARG 138 CO -0.13 0.51 0.00 -1.71 -0.68 0.00 0.00 175.30 173.29 2ghf n ASN 139 N 0.01 0.00 0.00 0.23 2.85 -1.26 -4.71 115.26 112.38 2ghf n ASN 139 Ca -0.09 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.38 2ghf n ASN 139 Cb 0.54 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.56 2ghf n ASN 139 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2ghf n ASN 140 N 0.00 0.00 -3.56 1.20 3.02 -1.26 -4.99 115.26 109.67 2ghf n ASN 140 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 2ghf n ASN 140 Cb 0.00 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.15 2ghf n ASN 140 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2ghf s GLN 141 N -0.19 1.23 -0.41 3.52 0.00 -1.25 -4.65 119.66 117.90 2ghf s GLN 141 Ca 0.00 -0.54 -0.18 0.00 -0.00 0.00 0.00 55.36 54.64 2ghf s GLN 141 Cb 0.00 0.51 0.02 0.00 0.00 0.00 0.00 33.01 33.54 2ghf s GLN 141 CO 0.00 -0.55 0.51 0.95 0.00 0.00 0.00 175.29 176.20 2ghf s THR 142 N -3.55 5.00 0.13 3.63 -4.23 -1.24 -4.19 115.64 111.18 2ghf s THR 142 Ca 0.05 -0.10 0.05 0.00 -1.18 0.00 0.00 61.69 60.51 2ghf s THR 142 Cb -0.02 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.70 2ghf s THR 142 CO -0.07 -0.44 -0.12 0.27 -0.54 0.00 0.00 174.62 173.72 2ghf s ILE 143 N 2.39 1.22 -0.22 2.99 -5.25 -1.26 -4.42 121.20 116.64 2ghf s ILE 143 Ca 0.16 -1.83 -0.22 0.00 -0.99 0.00 0.00 60.65 57.78 2ghf s ILE 143 Cb -0.16 -1.61 -0.02 0.00 2.95 0.00 0.00 42.46 43.63 2ghf s ILE 143 CO 0.15 -0.55 0.70 -0.36 -1.79 0.00 0.00 174.94 173.08 2ghf s PHE 144 N -2.60 3.34 0.07 1.37 0.40 0.36 -3.25 117.98 117.67 2ghf s PHE 144 Ca 0.11 0.98 -0.09 0.00 -0.60 0.00 0.00 56.93 57.33 2ghf s PHE 144 Cb -0.02 -2.89 -0.06 0.00 0.51 0.00 0.00 43.02 40.56 2ghf s PHE 144 CO 0.02 -0.28 0.38 -1.21 0.70 0.00 0.00 175.22 174.83 2ghf s GLU 145 N 2.32 3.72 -0.22 0.44 2.02 0.17 -1.29 118.70 125.87 2ghf s GLU 145 Ca 0.30 0.12 0.02 0.00 0.02 0.00 0.00 54.97 55.43 2ghf s GLU 145 Cb -0.16 -3.00 0.05 0.00 0.10 0.00 0.00 34.13 31.12 2ghf s GLU 145 CO 0.09 0.57 -0.11 -1.14 0.02 0.00 0.00 175.26 174.69 2ghf s GLN 146 N -1.93 2.19 0.27 1.61 0.74 0.15 -0.50 119.66 122.19 2ghf s GLN 146 Ca 0.33 -1.01 0.09 0.00 0.05 0.00 0.00 55.36 54.81 2ghf s GLN 146 Cb -0.14 -2.60 -0.04 0.00 1.10 0.00 0.00 33.01 31.33 2ghf s GLN 146 CO 0.18 -0.46 0.02 0.99 -0.55 0.00 0.00 175.29 175.47 2ghf s THR 147 N 1.29 3.44 0.18 -0.34 2.01 -0.84 -2.36 115.64 119.01 2ghf s THR 147 Ca -0.03 -1.88 0.06 0.00 0.31 0.00 0.00 61.69 60.16 2ghf s THR 147 Cb -0.17 -2.88 -0.04 0.00 0.01 0.00 0.00 72.50 69.42 2ghf s THR 147 CO -0.08 -0.35 0.07 -0.63 -0.69 0.00 0.00 174.62 172.93 2ghf s ILE 148 N -2.33 4.06 -2.10 1.82 1.01 -1.26 0.61 121.20 123.00 2ghf s ILE 148 Ca 0.32 -1.31 0.17 0.00 0.00 0.00 0.00 60.65 59.83 2ghf s ILE 148 Cb -0.06 -3.07 0.44 0.00 0.01 0.00 0.00 42.46 39.78 2ghf s ILE 148 CO 0.20 -0.14 1.40 -0.46 0.00 0.00 0.00 174.94 175.95 2ghf n ASN 149 N -0.32 2.56 0.16 3.58 2.04 -1.22 -4.55 115.26 117.52 2ghf n ASN 149 Ca -0.09 -1.95 0.00 0.00 -0.44 0.00 0.00 54.58 52.10 2ghf n ASN 149 Cb 0.55 -0.28 0.00 0.00 -2.53 0.00 0.00 39.78 37.52 2ghf n ASN 149 CO 0.00 0.00 0.00 -0.67 -0.44 0.00 0.00 177.26 176.15 2ghf n ASP 150 N 0.90 -2.47 -0.78 0.53 -0.08 -1.26 -4.91 116.55 108.47 2ghf n ASP 150 Ca 0.17 0.60 -0.00 0.00 -1.51 0.00 0.00 54.79 54.05 2ghf n ASP 150 Cb 0.42 2.43 0.01 0.00 2.34 0.00 0.00 41.12 46.32 2ghf n ASP 150 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2ghf n LEU 151 N -3.20 2.10 0.30 -2.67 4.77 -1.26 -4.12 117.00 112.92 2ghf n LEU 151 Ca 0.00 -1.06 0.17 0.00 -0.03 0.00 0.00 56.01 55.09 2ghf n LEU 151 Cb 0.00 -0.51 0.93 0.00 -2.33 0.00 0.00 43.42 41.51 2ghf n LEU 151 CO 0.00 0.39 1.08 0.74 -1.33 0.00 0.00 177.39 178.27 2ghf h THR 152 N 0.07 0.32 0.00 -5.08 2.02 -1.91 -3.47 112.91 104.86 2ghf h THR 152 Ca 0.01 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.96 2ghf h THR 152 Cb 0.79 1.17 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 2ghf h THR 152 CO 0.02 0.04 0.00 2.22 0.37 0.00 0.00 175.52 178.17