#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gfu n ALA 69 N 0.00 4.85 -3.45 0.58 0.00 -1.26 -4.51 120.51 116.72 2gfu n ALA 69 Ca 0.00 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.43 2gfu n ALA 69 Cb 0.00 -1.59 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 2gfu n ALA 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2gfu n LYS 70 N 1.95 2.19 -2.76 0.00 4.81 -1.26 -5.10 118.16 118.00 2gfu n LYS 70 Ca 0.17 -4.45 -0.41 0.00 -0.87 0.00 0.00 58.31 52.75 2gfu n LYS 70 Cb 0.65 -2.13 -0.04 0.00 0.02 0.00 0.00 35.03 33.53 2gfu n LYS 70 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2gfu s ASN 71 N -2.17 7.45 0.53 3.14 2.20 -1.26 -4.70 114.94 120.13 2gfu s ASN 71 Ca 0.38 1.73 0.00 0.00 -0.94 0.00 0.00 52.86 54.03 2gfu s ASN 71 Cb 0.13 -2.57 0.00 0.00 -2.00 0.00 0.00 41.25 36.81 2gfu s ASN 71 CO -0.04 -0.08 0.00 0.18 -2.94 0.00 0.00 177.10 174.22 2gfu n LEU 72 N 2.92 0.00 0.11 3.54 4.77 -1.26 -4.47 117.00 122.61 2gfu n LEU 72 Ca 0.02 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.79 2gfu n LEU 72 Cb 0.49 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.44 2gfu n LEU 72 CO 0.51 0.00 -0.27 0.78 -1.33 0.00 0.00 177.39 177.08 2gfu h ASN 73 N 0.00 0.63 0.00 -1.43 4.21 -2.03 -3.48 115.58 113.48 2gfu h ASN 73 Ca 0.00 -0.74 0.00 0.00 1.21 0.00 0.00 56.30 56.77 2gfu h ASN 73 Cb 0.00 -0.20 0.00 0.00 -1.12 0.00 0.00 38.32 37.00 2gfu h ASN 73 CO 0.00 1.60 0.00 0.61 -1.29 0.00 0.00 177.43 178.35 2gfu n GLY 74 N 1.69 3.07 3.51 2.83 0.00 -1.26 -4.95 105.19 110.08 2gfu n GLY 74 Ca -0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 2gfu n GLY 74 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 75 N -1.44 -0.50 -0.16 -0.02 0.00 -1.26 -5.09 107.32 98.85 2gfu s GLY 75 Ca 0.00 1.98 0.09 0.00 0.00 0.00 0.00 44.72 46.80 2gfu s GLY 75 CO 0.00 1.94 -0.02 1.47 0.00 0.00 0.00 173.10 176.49 2gfu n LEU 76 N 3.82 0.91 -0.05 0.66 -0.00 -1.26 -4.03 117.00 117.04 2gfu n LEU 76 Ca -0.19 -0.03 -0.15 0.00 -0.00 0.00 0.00 56.01 55.64 2gfu n LEU 76 Cb 0.57 0.05 -0.06 0.00 -0.00 0.00 0.00 43.42 43.98 2gfu n LEU 76 CO 0.03 0.50 0.41 0.03 -0.00 0.00 0.00 177.39 178.36 2gfu h ARG 77 N 0.00 0.70 -2.20 1.47 3.08 -2.02 -3.33 114.38 112.07 2gfu h ARG 77 Ca -0.40 -0.49 -0.56 0.00 0.07 0.00 0.00 59.98 58.60 2gfu h ARG 77 Cb 1.82 0.08 -0.41 0.00 0.08 0.00 0.00 29.97 31.53 2gfu h ARG 77 CO -0.00 1.11 -0.80 2.89 -1.07 0.00 0.00 179.97 182.09 2gfu n ARG 78 N -4.13 2.55 -1.16 0.04 1.85 -1.26 -4.93 116.66 109.62 2gfu n ARG 78 Ca -0.06 -4.42 -0.22 0.00 -1.00 0.00 0.00 57.85 52.14 2gfu n ARG 78 Cb 0.61 -2.08 -0.11 0.00 -1.05 0.00 0.00 32.46 29.83 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2gfu n SER 79 N -0.03 6.55 0.00 2.89 2.88 -1.25 -4.78 113.62 119.88 2gfu n SER 79 Ca 0.29 -2.57 0.00 0.00 -1.33 0.00 0.00 58.87 55.26 2gfu n SER 79 Cb 0.47 -1.45 0.00 0.00 -0.75 0.00 0.00 64.21 62.47 2gfu n SER 79 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 2gfu n VAL 80 N 2.74 0.00 -3.69 2.46 3.14 -1.26 -4.65 118.33 117.07 2gfu n VAL 80 Ca 0.56 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.70 2gfu n VAL 80 Cb 0.65 0.00 -0.17 0.00 -1.06 0.00 0.00 33.84 33.26 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gfu s ALA 81 N 0.00 0.57 -0.14 1.55 0.00 -1.26 -5.08 121.76 117.40 2gfu s ALA 81 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.61 2gfu s ALA 81 Cb 0.00 -0.90 -0.09 0.00 0.00 0.00 0.00 23.12 22.13 2gfu s ALA 81 CO 0.00 -0.84 0.11 -1.00 0.00 0.00 0.00 175.76 174.03 2gfu h PRO 82 N 8.37 0.00 0.00 0.00 0.13 -1.92 -3.51 132.00 135.07 2gfu h PRO 82 Ca -0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.97 2gfu h PRO 82 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2gfu h PRO 82 CO 0.26 0.37 0.00 0.00 -0.23 0.00 0.00 178.00 178.40 2gfu n ALA 83 N -3.17 0.00 -2.70 -0.56 0.00 -1.26 -5.09 120.51 107.73 2gfu n ALA 83 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 52.93 2gfu n ALA 83 Cb 0.31 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.65 2gfu n ALA 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu s ALA 84 N -1.00 3.36 -0.87 0.00 0.00 -1.26 -5.02 121.76 116.97 2gfu s ALA 84 Ca 0.00 -1.60 -0.06 0.00 0.00 0.00 0.00 51.96 50.30 2gfu s ALA 84 Cb 0.00 -2.63 -0.04 0.00 0.00 0.00 0.00 23.12 20.45 2gfu s ALA 84 CO 0.00 -1.24 2.91 -0.35 0.00 0.00 0.00 175.76 177.08 2gfu n PRO 85 N 5.05 3.24 -2.68 0.00 -0.04 -1.26 -3.49 135.00 135.82 2gfu n PRO 85 Ca -0.12 -2.31 -0.04 0.00 -0.04 0.00 0.00 63.50 60.98 2gfu n PRO 85 Cb 0.47 -2.40 0.10 0.00 -0.04 0.00 0.00 33.50 31.63 2gfu n PRO 85 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2gfu n THR 86 N 2.14 0.00 0.00 0.52 -1.04 -1.26 -5.07 114.28 109.57 2gfu n THR 86 Ca 0.59 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.80 2gfu n THR 86 Cb 0.47 1.15 0.00 0.00 -1.82 0.00 0.00 70.33 70.13 2gfu n THR 86 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 2gfu n SER 87 N 0.82 0.00 -3.47 8.00 3.41 -1.23 -5.09 113.62 116.06 2gfu n SER 87 Ca -0.02 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.33 2gfu n SER 87 Cb 0.73 0.00 -0.12 0.00 -0.26 0.00 0.00 64.21 64.56 2gfu n SER 87 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2gfu s SER 88 N 1.43 2.82 -0.47 4.04 1.04 -1.26 -4.75 113.70 116.55 2gfu s SER 88 Ca 0.00 -1.56 0.06 0.00 0.48 0.00 0.00 55.95 54.93 2gfu s SER 88 Cb 0.00 -0.15 0.28 0.00 0.10 0.00 0.00 66.02 66.25 2gfu s SER 88 CO 0.00 -0.37 0.95 0.47 0.98 0.00 0.00 173.24 175.27 2gfu n ASP 89 N 4.73 -2.36 -4.21 7.02 8.00 -1.26 -4.76 116.55 123.70 2gfu n ASP 89 Ca 0.03 -3.41 -0.33 0.00 0.71 0.00 0.00 54.79 51.79 2gfu n ASP 89 Cb 0.41 1.63 -0.16 0.00 -0.02 0.00 0.00 41.12 42.98 2gfu n ASP 89 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2gfu s PHE 90 N 0.30 2.73 0.41 1.24 0.08 -1.26 -5.05 117.98 116.43 2gfu s PHE 90 Ca 0.29 -1.23 0.07 0.00 0.12 0.00 0.00 56.93 56.18 2gfu s PHE 90 Cb 0.25 -1.86 -0.05 0.00 -0.57 0.00 0.00 43.02 40.80 2gfu s PHE 90 CO -0.16 -0.57 0.20 -1.54 -0.10 0.00 0.00 175.22 173.05 2gfu s SER 91 N 0.87 4.51 0.08 1.36 1.04 -1.26 -4.99 113.70 115.31 2gfu s SER 91 Ca -0.05 -1.01 -0.36 0.00 0.48 0.00 0.00 55.95 55.00 2gfu s SER 91 Cb -0.15 -0.51 -0.16 0.00 0.10 0.00 0.00 66.02 65.30 2gfu s SER 91 CO -0.02 -0.53 1.40 -2.65 0.98 0.00 0.00 173.24 172.42 2gfu n PRO 92 N -1.26 1.31 0.00 4.02 -0.02 -1.26 -3.55 135.00 134.25 2gfu n PRO 92 Ca -0.01 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 2gfu n PRO 92 Cb 0.64 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.98 2gfu n PRO 92 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2gfu n GLY 93 N 2.75 1.45 3.94 -1.23 0.00 -0.82 -4.98 105.19 106.31 2gfu n GLY 93 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2gfu n GLY 93 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2gfu s ASP 94 N -1.93 6.29 -0.10 1.61 1.01 -1.23 -4.85 116.67 117.47 2gfu s ASP 94 Ca 0.00 0.47 -0.05 0.00 0.71 0.00 0.00 52.55 53.68 2gfu s ASP 94 Cb 0.00 -2.04 -0.04 0.00 1.01 0.00 0.00 42.92 41.85 2gfu s ASP 94 CO 0.00 -0.31 0.09 -0.76 0.21 0.00 0.00 175.17 174.40 2gfu s LEU 95 N -4.34 4.11 0.03 1.23 2.01 -1.26 -1.50 118.68 118.95 2gfu s LEU 95 Ca 0.40 0.35 0.02 0.00 0.01 0.00 0.00 54.13 54.91 2gfu s LEU 95 Cb -0.10 -2.01 -0.02 0.00 0.01 0.00 0.00 46.19 44.08 2gfu s LEU 95 CO 0.36 0.39 -0.07 0.68 1.01 0.00 0.00 176.35 178.73 2gfu s VAL 96 N -0.99 0.47 -0.29 -1.59 -7.23 -0.80 -1.66 120.40 108.31 2gfu s VAL 96 Ca 0.15 -0.84 -0.11 0.00 -1.81 0.00 0.00 61.98 59.37 2gfu s VAL 96 Cb -0.12 -0.51 -0.04 0.00 0.56 0.00 0.00 36.38 36.27 2gfu s VAL 96 CO 0.04 -0.26 0.20 0.26 -0.31 0.00 0.00 175.10 175.03 2gfu s TRP 97 N -1.05 3.22 -0.10 2.82 0.52 -0.01 -0.88 118.94 123.45 2gfu s TRP 97 Ca -0.07 0.07 -0.02 0.00 0.02 0.00 0.00 56.10 56.11 2gfu s TRP 97 Cb -0.08 -2.40 -0.03 0.00 -1.15 0.00 0.00 33.47 29.81 2gfu s TRP 97 CO 0.00 -0.19 -0.04 0.00 0.02 0.00 0.00 176.95 176.74 2gfu s ALA 98 N 1.76 3.08 -0.05 0.98 0.00 -0.45 -1.01 121.76 126.06 2gfu s ALA 98 Ca 0.07 -0.84 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2gfu s ALA 98 Cb -0.16 -1.42 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 2gfu s ALA 98 CO 0.11 0.45 -0.03 0.21 0.00 0.00 0.00 175.76 176.49 2gfu s LYS 99 N -0.41 2.80 0.08 0.00 2.36 -0.84 -2.34 119.74 121.39 2gfu s LYS 99 Ca 0.07 -0.54 0.06 0.00 -2.55 0.00 0.00 55.97 53.01 2gfu s LYS 99 Cb -0.12 -2.65 -0.03 0.00 -1.05 0.00 0.00 37.83 33.97 2gfu s LYS 99 CO 0.02 0.66 -0.15 1.41 1.55 0.00 0.00 175.35 178.84 2gfu s MET 100 N -1.03 0.88 -0.86 4.03 -2.45 -1.26 -4.82 119.30 113.78 2gfu s MET 100 Ca 0.14 -0.99 -0.25 0.00 -1.25 0.00 0.00 55.69 53.35 2gfu s MET 100 Cb -0.11 -0.94 -0.09 0.00 1.25 0.00 0.00 34.83 34.94 2gfu s MET 100 CO 0.04 0.21 2.14 -2.00 1.05 0.00 0.00 175.02 176.46 2gfu s GLU 101 N -1.75 2.13 0.00 4.11 2.12 -1.26 -1.55 118.70 122.50 2gfu s GLU 101 Ca -0.00 0.02 0.00 0.00 0.36 0.00 0.00 54.97 55.34 2gfu s GLU 101 Cb -0.10 -4.95 0.00 0.00 0.26 0.00 0.00 34.13 29.34 2gfu s GLU 101 CO 0.03 -3.88 0.00 0.41 -0.54 0.00 0.00 175.26 171.28 2gfu n GLY 102 N 6.81 0.88 3.96 -1.50 0.00 -1.26 -5.12 105.19 108.96 2gfu n GLY 102 Ca 0.43 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.25 2gfu n GLY 102 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gfu s TYR 103 N -2.00 3.19 0.88 1.61 1.51 -0.60 -5.14 117.35 116.81 2gfu s TYR 103 Ca 0.00 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.78 2gfu s TYR 103 Cb 0.00 -1.81 0.12 0.00 -0.11 0.00 0.00 41.96 40.15 2gfu s TYR 103 CO 0.00 0.18 1.10 -1.25 -1.11 0.00 0.00 175.55 174.46 2gfu s PRO 104 N -4.08 1.44 0.15 -1.71 0.04 -1.26 -4.59 135.00 124.99 2gfu s PRO 104 Ca 0.41 0.68 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 2gfu s PRO 104 Cb -0.09 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.52 2gfu s PRO 104 CO 0.30 -2.08 1.48 -1.58 0.04 0.00 0.00 177.00 175.16 2gfu s TRP 105 N -3.05 3.13 -0.02 0.56 0.52 -1.26 -4.42 118.94 114.41 2gfu s TRP 105 Ca 0.63 0.80 0.04 0.00 0.02 0.00 0.00 56.10 57.59 2gfu s TRP 105 Cb -0.16 -3.82 -0.01 0.00 -1.15 0.00 0.00 33.47 28.33 2gfu s TRP 105 CO 0.56 -2.92 -0.13 -1.58 0.02 0.00 0.00 176.95 172.90 2gfu s TRP 106 N 1.00 1.20 0.12 -1.98 0.23 -0.99 -4.90 118.94 113.62 2gfu s TRP 106 Ca 0.67 -0.25 -0.30 0.00 -2.03 0.00 0.00 56.10 54.18 2gfu s TRP 106 Cb -0.41 -0.79 -0.07 0.00 0.03 0.00 0.00 33.47 32.24 2gfu s TRP 106 CO 0.32 -0.05 1.22 -1.25 0.96 0.00 0.00 176.95 178.15 2gfu s PRO 107 N -0.20 4.45 0.19 4.98 0.05 -1.26 -1.34 135.00 141.87 2gfu s PRO 107 Ca 0.03 1.84 0.01 0.00 0.05 0.00 0.00 61.00 62.93 2gfu s PRO 107 Cb -0.06 -3.29 -0.05 0.00 0.05 0.00 0.00 34.50 31.15 2gfu s PRO 107 CO -0.00 -0.20 0.04 -1.12 0.05 0.00 0.00 177.00 175.77 2gfu s SER 108 N 0.67 1.03 -0.06 6.66 0.01 -0.06 -2.98 113.70 118.97 2gfu s SER 108 Ca 0.57 -1.25 0.04 0.00 1.31 0.00 0.00 55.95 56.62 2gfu s SER 108 Cb -0.31 0.17 -0.00 0.00 0.21 0.00 0.00 66.02 66.08 2gfu s SER 108 CO 0.32 -0.65 -0.20 -0.22 0.41 0.00 0.00 173.24 172.90 2gfu s LEU 109 N -3.20 1.94 -0.28 2.44 0.20 -0.28 -1.90 118.68 117.60 2gfu s LEU 109 Ca 0.29 -0.43 -0.18 0.00 0.69 0.00 0.00 54.13 54.50 2gfu s LEU 109 Cb 0.07 -1.14 -0.02 0.00 -0.43 0.00 0.00 46.19 44.67 2gfu s LEU 109 CO 0.07 0.15 0.54 0.54 -0.29 0.00 0.00 176.35 177.36 2gfu s VAL 110 N 0.18 5.03 0.10 1.68 0.11 -0.56 -2.09 120.40 124.85 2gfu s VAL 110 Ca -0.10 0.79 0.05 0.00 -2.93 0.00 0.00 61.98 59.80 2gfu s VAL 110 Cb -0.14 -3.89 -0.03 0.00 -1.53 0.00 0.00 36.38 30.79 2gfu s VAL 110 CO 0.05 -0.01 -0.13 -0.47 -3.33 0.00 0.00 175.10 171.20 2gfu s TYR 111 N 2.39 1.26 -0.40 1.54 6.14 -1.26 -1.94 117.35 125.08 2gfu s TYR 111 Ca 0.22 -0.55 -0.29 0.00 0.64 0.00 0.00 57.07 57.08 2gfu s TYR 111 Cb -0.15 -0.68 0.02 0.00 0.42 0.00 0.00 41.96 41.57 2gfu s TYR 111 CO 0.10 0.08 1.19 0.54 0.64 0.00 0.00 175.55 178.10 2gfu s ASN 112 N -2.24 6.68 0.41 4.32 4.22 -1.26 -4.62 114.94 122.45 2gfu s ASN 112 Ca 0.05 0.79 -0.03 0.00 -2.14 0.00 0.00 52.86 51.53 2gfu s ASN 112 Cb -0.06 -2.55 -0.04 0.00 1.28 0.00 0.00 41.25 39.89 2gfu s ASN 112 CO 0.02 -1.15 0.67 -2.28 -2.04 0.00 0.00 177.10 172.31 2gfu s HIS 113 N 4.37 3.53 -0.75 1.54 2.46 -1.26 -4.88 115.29 120.29 2gfu s HIS 113 Ca 0.50 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.63 2gfu s HIS 113 Cb -0.11 -2.11 0.00 0.00 -0.13 0.00 0.00 32.58 30.23 2gfu s HIS 113 CO 0.26 -0.07 0.17 -2.30 -2.47 0.00 0.00 174.74 170.33 2gfu n PRO 114 N -1.95 0.00 -1.45 2.88 -0.02 -1.26 -1.82 135.00 131.38 2gfu n PRO 114 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 2gfu n PRO 114 Cb 0.55 -1.45 0.07 0.00 -0.02 0.00 0.00 33.50 32.65 2gfu n PRO 114 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2gfu n PHE 115 N -0.64 3.17 -1.71 6.00 3.72 -1.26 -5.05 117.46 121.69 2gfu n PHE 115 Ca 0.00 -2.91 -0.42 0.00 -0.05 0.00 0.00 57.45 54.07 2gfu n PHE 115 Cb 0.00 -1.31 -0.03 0.00 -0.94 0.00 0.00 39.48 37.20 2gfu n PHE 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2gfu s ASP 116 N -2.01 6.37 0.00 4.37 1.11 -0.76 -0.35 116.67 125.40 2gfu s ASP 116 Ca 0.63 2.53 0.00 0.00 0.18 0.00 0.00 52.55 55.88 2gfu s ASP 116 Cb 0.49 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.96 2gfu s ASP 116 CO -0.03 -1.14 0.00 0.61 1.18 0.00 0.00 175.17 175.80 2gfu n GLY 117 N 4.63 2.84 3.48 0.21 0.00 -1.26 -5.06 105.19 110.03 2gfu n GLY 117 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2gfu n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gfu s THR 118 N -2.50 4.53 0.00 2.61 2.01 0.53 -4.95 115.64 117.87 2gfu s THR 118 Ca 0.00 -0.10 0.00 0.00 0.31 0.00 0.00 61.69 61.90 2gfu s THR 118 Cb 0.00 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.38 2gfu s THR 118 CO 0.00 0.32 0.00 0.33 -0.69 0.00 0.00 174.62 174.58 2gfu n PHE 119 N 4.92 0.00 -3.02 4.92 7.35 -1.26 -4.81 117.46 125.56 2gfu n PHE 119 Ca -0.16 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.35 2gfu n PHE 119 Cb 0.52 0.12 0.03 0.00 0.35 0.00 0.00 39.48 40.50 2gfu n PHE 119 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2gfu s ILE 120 N -1.46 2.70 -0.08 -2.13 -4.36 -1.26 -3.49 121.20 111.11 2gfu s ILE 120 Ca 0.00 -1.00 -0.28 0.00 -0.26 0.00 0.00 60.65 59.10 2gfu s ILE 120 Cb 0.00 -2.70 0.07 0.00 1.25 0.00 0.00 42.46 41.08 2gfu s ILE 120 CO 0.00 0.00 0.65 -0.60 0.24 0.00 0.00 174.94 175.23 2gfu s ARG 121 N -4.46 0.98 -0.12 0.37 3.52 -1.15 -4.95 118.95 113.14 2gfu s ARG 121 Ca 0.57 0.34 -0.06 0.00 -0.13 0.00 0.00 55.73 56.46 2gfu s ARG 121 Cb -0.08 0.46 0.05 0.00 -1.56 0.00 0.00 34.95 33.82 2gfu s ARG 121 CO 0.35 -0.28 0.27 -2.00 -0.81 0.00 0.00 175.30 172.84 2gfu s GLU 122 N -0.93 0.21 -0.48 5.12 2.12 -1.26 -1.93 118.70 121.56 2gfu s GLU 122 Ca -0.09 0.63 0.02 0.00 0.36 0.00 0.00 54.97 55.89 2gfu s GLU 122 Cb -0.01 -0.07 0.12 0.00 0.26 0.00 0.00 34.13 34.43 2gfu s GLU 122 CO 0.08 -0.20 0.22 0.21 -0.54 0.00 0.00 175.26 175.03 2gfu s LYS 123 N 1.63 1.93 0.00 4.30 2.20 -1.21 -5.03 119.74 123.55 2gfu s LYS 123 Ca -0.06 -2.34 0.00 0.00 -0.36 0.00 0.00 55.97 53.21 2gfu s LYS 123 Cb -0.11 -3.37 0.00 0.00 -1.51 0.00 0.00 37.83 32.84 2gfu s LYS 123 CO -0.09 -1.07 0.00 0.41 -0.36 0.00 0.00 175.35 174.24 2gfu n GLY 124 N 3.61 0.99 2.54 5.54 0.00 -1.26 -3.66 105.19 112.95 2gfu n GLY 124 Ca 0.05 0.33 -0.12 0.00 0.00 0.00 0.00 46.02 46.28 2gfu n GLY 124 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2gfu n LYS 125 N 0.00 1.18 -3.62 1.61 5.02 -1.26 -5.07 118.16 116.01 2gfu n LYS 125 Ca 0.00 -3.33 -0.06 0.00 -2.02 0.00 0.00 58.31 52.90 2gfu n LYS 125 Cb 0.00 -1.39 -0.06 0.00 -0.02 0.00 0.00 35.03 33.57 2gfu n LYS 125 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2gfu s SER 126 N -2.97 -0.20 -0.01 4.39 0.01 -1.24 -5.19 113.70 108.49 2gfu s SER 126 Ca 0.31 0.29 0.04 0.00 1.31 0.00 0.00 55.95 57.90 2gfu s SER 126 Cb 0.43 0.26 -0.01 0.00 0.21 0.00 0.00 66.02 66.91 2gfu s SER 126 CO 0.00 -0.14 -0.12 0.54 0.41 0.00 0.00 173.24 173.93 2gfu s VAL 127 N -0.60 0.98 0.29 3.43 0.11 -1.26 -3.31 120.40 120.04 2gfu s VAL 127 Ca 0.05 -0.53 0.09 0.00 -2.93 0.00 0.00 61.98 58.66 2gfu s VAL 127 Cb -0.02 -0.82 -0.04 0.00 -1.53 0.00 0.00 36.38 33.96 2gfu s VAL 127 CO -0.07 0.28 0.02 -0.13 -3.33 0.00 0.00 175.10 171.87 2gfu s ARG 128 N -0.28 2.25 0.15 1.54 0.52 -0.81 0.15 118.95 122.46 2gfu s ARG 128 Ca 0.05 -1.51 -0.11 0.00 -0.52 0.00 0.00 55.73 53.63 2gfu s ARG 128 Cb -0.05 -2.11 0.00 0.00 0.52 0.00 0.00 34.95 33.32 2gfu s ARG 128 CO -0.00 0.28 0.31 0.14 0.02 0.00 0.00 175.30 176.04 2gfu s VAL 129 N -2.38 0.08 -0.20 3.52 -7.23 -1.21 -2.94 120.40 110.04 2gfu s VAL 129 Ca 0.33 -1.15 -0.13 0.00 -1.81 0.00 0.00 61.98 59.22 2gfu s VAL 129 Cb -0.05 -1.60 -0.05 0.00 0.56 0.00 0.00 36.38 35.24 2gfu s VAL 129 CO 0.20 -0.36 0.25 -1.38 -0.31 0.00 0.00 175.10 173.51 2gfu s HIS 130 N -3.91 3.39 0.25 2.82 -3.43 -1.23 -1.88 115.29 111.30 2gfu s HIS 130 Ca 0.11 0.46 -0.06 0.00 -0.80 0.00 0.00 55.06 54.77 2gfu s HIS 130 Cb 0.03 -2.33 -0.02 0.00 -1.43 0.00 0.00 32.58 28.83 2gfu s HIS 130 CO -0.04 0.14 0.33 0.14 -2.00 0.00 0.00 174.74 173.31 2gfu s VAL 131 N 0.80 0.00 0.04 -5.38 -7.23 -1.25 -4.08 120.40 103.30 2gfu s VAL 131 Ca 0.13 -1.70 0.04 0.00 -1.81 0.00 0.00 61.98 58.64 2gfu s VAL 131 Cb -0.13 -2.40 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2gfu s VAL 131 CO 0.04 0.00 -0.12 0.00 -0.31 0.00 0.00 175.10 174.71 2gfu s GLN 132 N -3.91 0.79 -0.10 4.82 0.00 -0.89 -3.82 119.66 116.54 2gfu s GLN 132 Ca 0.31 -0.72 -0.16 0.00 -0.00 0.00 0.00 55.36 54.79 2gfu s GLN 132 Cb 0.03 -0.74 -0.05 0.00 0.00 0.00 0.00 33.01 32.25 2gfu s GLN 132 CO 0.13 0.18 0.41 -0.06 0.00 0.00 0.00 175.29 175.95 2gfu s PHE 133 N -0.93 3.55 -1.24 9.60 0.40 0.05 -1.13 117.98 128.28 2gfu s PHE 133 Ca -0.01 0.83 -0.13 0.00 -0.60 0.00 0.00 56.93 57.02 2gfu s PHE 133 Cb -0.08 -2.44 -0.06 0.00 0.51 0.00 0.00 43.02 40.96 2gfu s PHE 133 CO 0.01 0.29 2.33 1.19 0.70 0.00 0.00 175.22 179.74 2gfu n PHE 134 N 3.23 2.41 0.00 0.36 3.72 -1.16 -2.11 117.46 123.91 2gfu n PHE 134 Ca -0.10 -2.53 0.00 0.00 -0.05 0.00 0.00 57.45 54.77 2gfu n PHE 134 Cb 0.52 -2.16 0.00 0.00 -0.94 0.00 0.00 39.48 36.89 2gfu n PHE 134 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 2gfu n ASP 135 N 5.33 0.00 -0.08 4.37 2.03 -1.26 -4.24 116.55 122.69 2gfu n ASP 135 Ca 0.57 0.00 -0.16 0.00 0.52 0.00 0.00 54.79 55.72 2gfu n ASP 135 Cb 0.29 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.64 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2gfu n ASP 136 N 0.00 1.33 0.11 1.67 2.03 -1.26 -4.87 116.55 115.56 2gfu n ASP 136 Ca 0.00 0.23 -0.24 0.00 0.52 0.00 0.00 54.79 55.30 2gfu n ASP 136 Cb 0.00 -0.54 -0.16 0.00 -0.72 0.00 0.00 41.12 39.71 2gfu n ASP 136 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 2gfu h SER 137 N -0.64 0.73 -4.30 1.67 0.02 -1.97 -3.47 113.55 105.59 2gfu h SER 137 Ca -0.36 -0.93 -0.46 0.00 -0.84 0.00 0.00 61.79 59.20 2gfu h SER 137 Cb 1.24 -0.24 0.12 0.00 0.14 0.00 0.00 62.40 63.66 2gfu h SER 137 CO -0.22 1.66 0.32 -2.16 -1.14 0.00 0.00 176.83 175.29 2gfu s PRO 138 N -2.56 1.35 -0.14 3.45 0.04 -1.26 -4.86 135.00 131.01 2gfu s PRO 138 Ca -0.11 0.29 -0.24 0.00 0.04 0.00 0.00 61.00 60.98 2gfu s PRO 138 Cb 0.04 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.69 2gfu s PRO 138 CO 0.91 -2.06 0.77 0.99 0.04 0.00 0.00 177.00 177.65 2gfu s THR 139 N -3.32 4.95 0.47 1.26 2.01 -0.90 -4.91 115.64 115.21 2gfu s THR 139 Ca 0.63 1.52 0.04 0.00 0.31 0.00 0.00 61.69 64.19 2gfu s THR 139 Cb -0.14 -4.08 -0.03 0.00 0.01 0.00 0.00 72.50 68.25 2gfu s THR 139 CO 0.53 0.10 0.08 -0.60 -0.69 0.00 0.00 174.62 174.04 2gfu s ARG 140 N 1.72 2.14 0.00 4.92 3.52 -1.26 -0.77 118.95 129.22 2gfu s ARG 140 Ca 0.37 -2.19 0.00 0.00 -0.13 0.00 0.00 55.73 53.77 2gfu s ARG 140 Cb -0.17 -1.70 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 2gfu s ARG 140 CO 0.14 -0.27 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 2gfu n GLY 141 N -1.24 -0.54 3.93 8.12 0.00 -1.25 -5.02 105.19 109.20 2gfu n GLY 141 Ca -0.11 -0.88 -0.26 0.00 0.00 0.00 0.00 46.02 44.77 2gfu n GLY 141 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2gfu s TRP 142 N -3.00 3.48 0.45 1.61 0.52 -1.26 -3.76 118.94 116.98 2gfu s TRP 142 Ca 0.00 0.30 0.05 0.00 0.02 0.00 0.00 56.10 56.46 2gfu s TRP 142 Cb 0.00 -1.82 -0.05 0.00 -1.15 0.00 0.00 33.47 30.44 2gfu s TRP 142 CO 0.00 0.36 0.01 0.14 0.02 0.00 0.00 176.95 177.48 2gfu s VAL 143 N -1.93 1.69 -0.17 4.03 -7.23 -0.79 -4.92 120.40 111.08 2gfu s VAL 143 Ca 0.38 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.30 2gfu s VAL 143 Cb -0.11 -2.69 -0.01 0.00 0.56 0.00 0.00 36.38 34.13 2gfu s VAL 143 CO 0.30 0.00 0.84 -0.55 -0.31 0.00 0.00 175.10 175.38 2gfu s SER 144 N -3.78 6.96 0.38 4.85 0.15 -1.26 -3.33 113.70 117.68 2gfu s SER 144 Ca 0.24 1.19 0.20 0.00 0.70 0.00 0.00 55.95 58.28 2gfu s SER 144 Cb 0.07 -2.46 0.65 0.00 -1.71 0.00 0.00 66.02 62.57 2gfu s SER 144 CO 0.12 -0.41 1.71 0.50 1.20 0.00 0.00 173.24 176.37 2gfu h LYS 145 N 7.33 0.00 0.00 5.44 3.64 -0.59 -2.71 116.57 129.68 2gfu h LYS 145 Ca -0.29 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 2gfu h LYS 145 Cb 1.13 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.95 2gfu h LYS 145 CO 0.84 0.35 0.00 -2.13 -2.27 0.00 0.00 179.45 176.24 2gfu n ARG 146 N -3.43 0.04 -0.23 1.90 0.63 -1.24 -1.93 116.66 112.40 2gfu n ARG 146 Ca 0.00 0.16 0.12 0.00 -0.92 0.00 0.00 57.85 57.21 2gfu n ARG 146 Cb 0.52 -1.50 0.24 0.00 0.45 0.00 0.00 32.46 32.17 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2gfu n LEU 147 N -1.47 3.60 -4.75 6.15 4.77 -1.02 -4.91 117.00 119.36 2gfu n LEU 147 Ca 0.05 -1.61 -0.35 0.00 -0.03 0.00 0.00 56.01 54.07 2gfu n LEU 147 Cb 0.22 -0.30 -0.08 0.00 -2.33 0.00 0.00 43.42 40.93 2gfu n LEU 147 CO 0.18 0.80 -0.19 -0.76 -1.33 0.00 0.00 177.39 176.09 2gfu s LEU 148 N -1.39 4.21 0.34 2.23 1.43 -0.81 -1.98 118.68 122.70 2gfu s LEU 148 Ca 0.41 0.27 0.09 0.00 -1.03 0.00 0.00 54.13 53.87 2gfu s LEU 148 Cb 0.24 -2.07 -0.05 0.00 0.03 0.00 0.00 46.19 44.33 2gfu s LEU 148 CO 0.32 0.23 0.05 -0.54 0.23 0.00 0.00 176.35 176.64 2gfu s LYS 149 N 0.05 2.17 0.49 1.70 1.02 -0.18 -4.64 119.74 120.35 2gfu s LYS 149 Ca 0.09 -1.69 -0.12 0.00 0.02 0.00 0.00 55.97 54.27 2gfu s LYS 149 Cb -0.11 -2.00 -0.06 0.00 -0.52 0.00 0.00 37.83 35.14 2gfu s LYS 149 CO -0.01 0.13 0.89 -1.25 -0.92 0.00 0.00 175.35 174.19 2gfu s PRO 150 N -3.75 3.77 0.00 -1.68 0.04 -1.26 -0.83 135.00 131.28 2gfu s PRO 150 Ca 0.36 0.64 0.00 0.00 0.04 0.00 0.00 61.00 62.04 2gfu s PRO 150 Cb -0.01 -2.25 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2gfu s PRO 150 CO 0.20 -0.23 0.00 2.48 0.04 0.00 0.00 177.00 179.49 2gfu n TYR 151 N -1.78 0.00 0.00 0.56 0.18 -0.66 -4.59 117.16 110.87 2gfu n TYR 151 Ca 0.04 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.82 2gfu n TYR 151 Cb 0.54 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.50 2gfu n TYR 151 CO 0.00 0.00 0.00 -2.37 -2.08 0.00 0.00 176.86 172.41 2gfu n THR 152 N 0.00 0.00 -3.68 -3.48 5.66 -1.26 -4.89 114.28 106.63 2gfu n THR 152 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2gfu n THR 152 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 2gfu n THR 152 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2gfu n GLY 153 N 0.00 -0.49 0.06 1.09 0.00 -1.26 -4.54 105.19 100.06 2gfu n GLY 153 Ca 0.00 -1.19 0.01 0.00 0.00 0.00 0.00 46.02 44.84 2gfu n GLY 153 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2gfu n SER 154 N 0.84 0.06 0.05 1.61 7.64 -1.26 -0.20 113.62 122.36 2gfu n SER 154 Ca 0.00 0.24 0.12 0.00 1.01 0.00 0.00 58.87 60.24 2gfu n SER 154 Cb 0.00 -0.19 0.19 0.00 -1.01 0.00 0.00 64.21 63.20 2gfu n SER 154 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2gfu n LYS 155 N -1.43 0.24 -2.22 1.43 2.85 -1.26 -4.59 118.16 113.18 2gfu n LYS 155 Ca -0.00 0.07 -0.33 0.00 -1.05 0.00 0.00 58.31 57.00 2gfu n LYS 155 Cb 0.42 -1.65 -0.01 0.00 -0.65 0.00 0.00 35.03 33.15 2gfu n LYS 155 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 2gfu s SER 156 N -3.99 6.10 0.36 -5.58 0.15 0.72 -5.00 113.70 106.46 2gfu s SER 156 Ca 0.07 1.76 0.17 0.00 0.70 0.00 0.00 55.95 58.65 2gfu s SER 156 Cb 0.14 -2.53 0.62 0.00 -1.71 0.00 0.00 66.02 62.54 2gfu s SER 156 CO 0.72 -0.95 1.71 0.50 1.20 0.00 0.00 173.24 176.42 2gfu h LYS 157 N 0.74 0.00 0.00 5.44 3.64 -1.91 -2.55 116.57 121.93 2gfu h LYS 157 Ca -0.47 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 2gfu h LYS 157 Cb 1.21 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.03 2gfu h LYS 157 CO 0.59 0.42 0.00 0.93 -2.27 0.00 0.00 179.45 179.12 2gfu h GLU 158 N 0.00 0.00 -0.33 1.90 4.39 -1.93 -3.19 114.58 115.41 2gfu h GLU 158 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2gfu h GLU 158 Cb 0.93 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 2gfu h GLU 158 CO 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.90 2gfu n ALA 159 N -1.94 2.44 -2.68 3.43 0.00 -0.98 -1.60 120.51 119.17 2gfu n ALA 159 Ca 0.05 -0.90 -0.31 0.00 0.00 0.00 0.00 53.44 52.28 2gfu n ALA 159 Cb 0.47 -0.90 -0.08 0.00 0.00 0.00 0.00 19.45 18.93 2gfu n ALA 159 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2gfu s GLN 160 N -1.58 2.10 0.08 0.00 1.03 -1.09 -4.66 119.66 115.55 2gfu s GLN 160 Ca 0.37 -2.31 -0.30 0.00 0.04 0.00 0.00 55.36 53.15 2gfu s GLN 160 Cb 0.22 -1.29 -0.10 0.00 0.03 0.00 0.00 33.01 31.87 2gfu s GLN 160 CO 0.31 -0.37 1.90 0.21 -2.54 0.00 0.00 175.29 174.80 2gfu s LYS 161 N -3.82 4.14 0.00 9.60 2.20 -1.26 -0.89 119.74 129.70 2gfu s LYS 161 Ca 0.13 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.35 2gfu s LYS 161 Cb 0.03 -3.88 0.00 0.00 -1.51 0.00 0.00 37.83 32.46 2gfu s LYS 161 CO 0.07 -0.90 0.00 0.41 -0.36 0.00 0.00 175.35 174.57 2gfu n GLY 162 N 4.39 1.64 3.85 5.54 0.00 -1.26 -5.07 105.19 114.29 2gfu n GLY 162 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 2gfu n GLY 162 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gfu s GLY 163 N -2.37 2.08 0.18 -0.02 0.00 -0.07 -4.97 107.32 102.14 2gfu s GLY 163 Ca 0.00 0.07 -0.12 0.00 0.00 0.00 0.00 44.72 44.67 2gfu s GLY 163 CO 0.00 0.31 1.74 0.84 0.00 0.00 0.00 173.10 175.99 2gfu h HIS 164 N 1.24 0.92 -0.03 1.90 2.76 -1.80 -3.22 115.15 116.92 2gfu h HIS 164 Ca -0.47 -0.07 0.00 0.00 -2.20 0.00 0.00 60.37 57.63 2gfu h HIS 164 Cb 1.18 -0.28 0.00 0.00 1.55 0.00 0.00 27.41 29.87 2gfu h HIS 164 CO 0.62 0.73 -0.00 1.97 -1.30 0.00 0.00 177.93 179.95 2gfu n PHE 165 N -4.46 0.00 -2.69 5.26 1.16 -0.97 -4.95 117.46 110.80 2gfu n PHE 165 Ca 0.04 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.23 2gfu n PHE 165 Cb 0.16 0.00 -0.06 0.00 -1.61 0.00 0.00 39.48 37.97 2gfu n PHE 165 CO 0.00 0.00 0.00 -0.47 -1.87 0.00 0.00 176.76 174.42 2gfu s TYR 166 N -1.80 3.78 -0.18 2.97 5.04 -0.63 -4.58 117.35 121.95 2gfu s TYR 166 Ca 0.25 1.82 -0.30 0.00 -2.44 0.00 0.00 57.07 56.41 2gfu s TYR 166 Cb 0.18 -3.03 0.14 0.00 0.35 0.00 0.00 41.96 39.60 2gfu s TYR 166 CO 0.27 0.14 1.08 -1.12 -1.34 0.00 0.00 175.55 174.58 2gfu s SER 167 N -1.27 -0.28 -0.29 4.32 0.01 -1.26 -4.89 113.70 110.03 2gfu s SER 167 Ca 0.45 0.29 -0.00 0.00 1.31 0.00 0.00 55.95 58.00 2gfu s SER 167 Cb -0.25 0.24 0.09 0.00 0.21 0.00 0.00 66.02 66.31 2gfu s SER 167 CO 0.31 -0.28 0.06 0.00 0.41 0.00 0.00 173.24 173.74 2gfu s ALA 168 N -1.24 1.73 -0.02 1.44 0.00 -1.26 -4.78 121.76 117.64 2gfu s ALA 168 Ca 0.01 -1.64 0.08 0.00 0.00 0.00 0.00 51.96 50.41 2gfu s ALA 168 Cb -0.01 -1.60 -0.02 0.00 0.00 0.00 0.00 23.12 21.50 2gfu s ALA 168 CO -0.01 -1.55 -0.25 0.21 0.00 0.00 0.00 175.76 174.16 2gfu s LYS 169 N 1.51 2.12 0.49 0.00 2.20 -1.26 -5.06 119.74 119.74 2gfu s LYS 169 Ca 0.07 -0.93 0.33 0.00 -0.36 0.00 0.00 55.97 55.08 2gfu s LYS 169 Cb -0.18 -2.06 1.63 0.00 -1.51 0.00 0.00 37.83 35.72 2gfu s LYS 169 CO -0.18 0.56 2.00 -1.00 -0.36 0.00 0.00 175.35 176.37 2gfu h PRO 170 N 5.45 0.00 -0.23 4.03 0.13 -1.99 -1.44 132.00 137.95 2gfu h PRO 170 Ca -0.43 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.56 2gfu h PRO 170 Cb 1.12 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.24 2gfu h PRO 170 CO 0.47 0.00 -0.44 0.93 -0.23 0.00 0.00 178.00 178.73 2gfu h GLU 171 N 0.00 0.57 -0.05 0.86 4.39 -1.90 -0.98 114.58 117.47 2gfu h GLU 171 Ca 0.00 -0.31 -0.16 0.00 0.34 0.00 0.00 59.36 59.23 2gfu h GLU 171 Cb 0.20 0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2gfu h GLU 171 CO 0.00 0.90 -0.67 0.82 -1.16 0.00 0.00 179.01 178.90 2gfu h ILE 172 N 0.46 1.42 -0.01 3.13 2.04 -1.51 -1.68 117.51 121.35 2gfu h ILE 172 Ca 0.03 -2.15 -0.00 0.00 1.00 0.00 0.00 64.86 63.74 2gfu h ILE 172 Cb 0.96 2.12 -0.00 0.00 -0.74 0.00 0.00 36.82 39.16 2gfu h ILE 172 CO 0.09 0.63 0.00 -0.07 0.00 0.00 0.00 178.15 178.80 2gfu h LEU 173 N 0.16 0.02 -1.55 1.44 3.38 -1.40 -1.56 115.31 115.80 2gfu h LEU 173 Ca -0.02 -0.25 0.07 0.00 0.09 0.00 0.00 57.88 57.77 2gfu h LEU 173 Cb 1.21 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.92 2gfu h LEU 173 CO 0.10 0.27 0.40 -0.09 0.09 0.00 0.00 178.44 179.21 2gfu h ARG 174 N -0.23 0.53 -0.07 1.13 2.43 -1.09 0.31 114.38 117.39 2gfu h ARG 174 Ca 0.00 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.12 2gfu h ARG 174 Cb 0.26 -0.12 -0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2gfu h ARG 174 CO 0.00 0.35 -0.05 0.00 -1.51 0.00 0.00 179.97 178.76 2gfu h ALA 175 N 1.68 0.10 -0.13 2.80 0.00 -1.25 0.86 119.26 123.32 2gfu h ALA 175 Ca 0.26 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.79 2gfu h ALA 175 Cb 0.32 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gfu h ALA 175 CO -0.08 -0.11 -0.45 0.52 0.00 0.00 0.00 179.25 179.14 2gfu h MET 176 N -0.25 0.32 0.12 0.00 2.86 -0.96 0.34 114.93 117.35 2gfu h MET 176 Ca 0.01 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2gfu h MET 176 Cb 0.54 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.20 2gfu h MET 176 CO 0.01 0.70 -0.06 1.96 1.06 0.00 0.00 176.91 180.59 2gfu h GLN 177 N 0.26 -0.16 -0.19 1.72 4.20 -1.01 -0.35 115.11 119.58 2gfu h GLN 177 Ca 0.02 0.01 -0.16 0.00 0.06 0.00 0.00 58.65 58.58 2gfu h GLN 177 Cb 0.89 0.04 -0.01 0.00 0.30 0.00 0.00 27.48 28.70 2gfu h GLN 177 CO 0.07 0.28 -0.55 0.07 -0.67 0.00 0.00 178.83 178.03 2gfu h ARG 178 N -0.67 0.58 0.00 1.46 0.11 -0.90 -2.85 114.38 112.11 2gfu h ARG 178 Ca -0.02 -0.37 -0.00 0.00 0.10 0.00 0.00 59.98 59.70 2gfu h ARG 178 Cb 0.51 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.63 2gfu h ARG 178 CO 0.03 0.98 -0.00 0.00 0.10 0.00 0.00 179.97 181.08 2gfu h ALA 179 N 0.94 -0.00 -0.97 0.08 0.00 -1.04 -0.32 119.26 117.95 2gfu h ALA 179 Ca 0.01 -0.14 0.11 0.00 0.00 0.00 0.00 54.91 54.90 2gfu h ALA 179 Cb 1.10 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.82 2gfu h ALA 179 CO 0.11 -0.37 0.62 0.22 0.00 0.00 0.00 179.25 179.82 2gfu h ASP 180 N -0.27 0.88 0.12 0.00 3.58 -1.11 0.32 116.42 119.93 2gfu h ASP 180 Ca -0.00 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 2gfu h ASP 180 Cb 0.27 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.18 2gfu h ASP 180 CO 0.00 0.48 -0.06 -0.08 -2.88 0.00 0.00 179.24 176.71 2gfu h GLU 181 N 0.95 -0.15 -0.32 0.28 4.81 -1.51 -2.48 114.58 116.17 2gfu h GLU 181 Ca 0.47 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.69 2gfu h GLU 181 Cb 0.48 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.87 2gfu h GLU 181 CO -0.23 0.28 0.12 0.00 -0.73 0.00 0.00 179.01 178.45 2gfu h ALA 182 N 0.11 1.62 0.14 2.92 0.00 -0.74 -0.18 119.26 123.12 2gfu h ALA 182 Ca -0.02 -0.09 -0.28 0.00 0.00 0.00 0.00 54.91 54.52 2gfu h ALA 182 Cb 0.51 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.17 2gfu h ALA 182 CO 0.03 0.30 -1.30 1.37 0.00 0.00 0.00 179.25 179.65 2gfu h LEU 183 N 0.45 0.45 0.00 0.00 8.10 -0.51 -3.34 115.31 120.46 2gfu h LEU 183 Ca 0.11 -0.50 -0.03 0.00 0.11 0.00 0.00 57.88 57.58 2gfu h LEU 183 Cb 0.10 -0.15 -0.01 0.00 -0.44 0.00 0.00 40.66 40.17 2gfu h LEU 183 CO -0.01 1.39 -1.18 -0.46 -4.11 0.00 0.00 178.44 174.07 2gfu n ASN 184 N -3.53 0.76 0.00 0.17 0.23 -0.93 -4.84 115.26 107.12 2gfu n ASN 184 Ca -0.10 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.25 2gfu n ASN 184 Cb 1.03 0.55 0.00 0.00 -2.08 0.00 0.00 39.78 39.28 2gfu n ASN 184 CO 0.00 0.00 0.00 0.29 -0.93 0.00 0.00 177.26 176.62 2gfu n LYS 185 N -2.67 0.00 -4.20 -3.83 5.02 -0.09 -5.07 118.16 107.32 2gfu n LYS 185 Ca -0.02 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.15 2gfu n LYS 185 Cb 0.60 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.51 2gfu n LYS 185 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2gfu s ASP 186 N -0.82 1.17 0.37 4.39 1.01 -1.25 -5.03 116.67 116.52 2gfu s ASP 186 Ca 0.00 -1.08 0.14 0.00 0.71 0.00 0.00 52.55 52.32 2gfu s ASP 186 Cb 0.00 0.11 0.96 0.00 1.01 0.00 0.00 42.92 45.00 2gfu s ASP 186 CO 0.00 -0.51 1.81 0.11 0.21 0.00 0.00 175.17 176.80 2gfu h LYS 187 N 2.85 0.52 -1.00 8.23 1.79 -1.89 -2.37 116.57 124.69 2gfu h LYS 187 Ca -0.36 -0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.23 2gfu h LYS 187 Cb 1.18 -0.12 -0.10 0.00 -1.58 0.00 0.00 32.23 31.62 2gfu h LYS 187 CO 0.64 0.34 0.62 0.97 -1.08 0.00 0.00 179.45 180.94 2gfu h ILE 188 N 0.54 0.81 -0.08 1.86 -0.00 -1.97 -1.23 117.51 117.44 2gfu h ILE 188 Ca 0.53 -0.30 -0.13 0.00 -0.00 0.00 0.00 64.86 64.96 2gfu h ILE 188 Cb 1.13 -0.14 -0.01 0.00 -0.00 0.00 0.00 36.82 37.80 2gfu h ILE 188 CO -0.27 0.16 -0.54 0.11 -0.00 0.00 0.00 178.15 177.61 2gfu h LYS 189 N 0.88 0.22 -0.09 2.19 6.56 -1.76 -2.47 116.57 122.11 2gfu h LYS 189 Ca 0.54 -0.13 -0.21 0.00 -1.06 0.00 0.00 60.65 59.78 2gfu h LYS 189 Cb 0.69 0.01 0.00 0.00 -0.57 0.00 0.00 32.23 32.36 2gfu h LYS 189 CO -0.32 0.71 -0.80 0.07 -2.06 0.00 0.00 179.45 177.04 2gfu h ARG 190 N 0.17 0.56 0.00 3.15 0.11 -1.45 -3.33 114.38 113.59 2gfu h ARG 190 Ca 0.00 -0.49 0.00 0.00 0.10 0.00 0.00 59.98 59.59 2gfu h ARG 190 Cb 1.01 0.11 0.00 0.00 1.11 0.00 0.00 29.97 32.20 2gfu h ARG 190 CO 0.08 1.12 0.00 -0.07 0.10 0.00 0.00 179.97 181.20 2gfu h LEU 191 N 0.37 0.00 -1.32 0.08 3.38 -1.21 -2.86 115.31 113.74 2gfu h LEU 191 Ca -0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 2gfu h LEU 191 Cb 1.41 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2gfu h LEU 191 CO 0.15 0.00 -0.21 -0.33 0.09 0.00 0.00 178.44 178.13 2gfu h GLU 192 N 0.00 0.00 -0.48 1.13 4.39 -1.55 -2.93 114.58 115.13 2gfu h GLU 192 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 2gfu h GLU 192 Cb 0.89 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.49 2gfu h GLU 192 CO 0.00 0.21 0.08 1.28 -1.16 0.00 0.00 179.01 179.42 2gfu n LEU 193 N -3.48 4.97 0.00 1.33 7.99 -1.12 -5.01 117.00 121.69 2gfu n LEU 193 Ca -0.00 -3.16 -0.24 0.00 -0.01 0.00 0.00 56.01 52.59 2gfu n LEU 193 Cb 0.38 -0.65 0.19 0.00 -0.11 0.00 0.00 43.42 43.24 2gfu n LEU 193 CO 0.33 0.78 0.57 0.00 -1.51 0.00 0.00 177.39 177.56 2gfu n ALA 194 N -0.26 -2.26 -3.35 -1.18 0.00 -1.10 -4.60 120.51 107.77 2gfu n ALA 194 Ca 0.30 -1.36 -0.46 0.00 0.00 0.00 0.00 53.44 51.93 2gfu n ALA 194 Cb 1.13 -0.09 -0.02 0.00 0.00 0.00 0.00 19.45 20.48 2gfu n ALA 194 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2gfu s VAL 195 N -2.88 5.66 -0.12 0.00 1.01 -1.26 -4.44 120.40 118.37 2gfu s VAL 195 Ca 0.59 -2.82 -0.29 0.00 0.00 0.00 0.00 61.98 59.46 2gfu s VAL 195 Cb -0.04 -4.47 -0.01 0.00 0.00 0.00 0.00 36.38 31.86 2gfu s VAL 195 CO 0.44 -1.08 1.05 -0.44 0.00 0.00 0.00 175.10 175.07 2gfu s SER 196 N 1.80 7.18 -0.50 3.32 0.01 -1.26 -4.96 113.70 119.29 2gfu s SER 196 Ca 0.22 1.55 -0.02 0.00 1.31 0.00 0.00 55.95 59.02 2gfu s SER 196 Cb -0.10 -2.55 0.32 0.00 0.21 0.00 0.00 66.02 63.90 2gfu s SER 196 CO -0.09 -0.52 2.05 -0.67 0.41 0.00 0.00 173.24 174.43 2gfu n ASP 197 N 5.33 7.07 -3.62 2.44 2.03 -1.26 -4.78 116.55 123.76 2gfu n ASP 197 Ca 0.10 -3.42 -0.15 0.00 0.52 0.00 0.00 54.79 51.84 2gfu n ASP 197 Cb 0.48 -1.03 -0.07 0.00 -0.72 0.00 0.00 41.12 39.78 2gfu n ASP 197 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2gfu s GLU 198 N -2.79 0.83 -1.28 -0.67 2.12 -1.26 -5.08 118.70 110.57 2gfu s GLU 198 Ca 0.48 0.66 -0.12 0.00 0.36 0.00 0.00 54.97 56.36 2gfu s GLU 198 Cb 0.37 0.40 -0.06 0.00 0.26 0.00 0.00 34.13 35.10 2gfu s GLU 198 CO -0.02 -0.16 2.42 -0.35 -0.54 0.00 0.00 175.26 176.60 2gfu n PRO 199 N 2.15 2.76 -2.27 4.30 -0.04 -1.26 -4.50 135.00 136.14 2gfu n PRO 199 Ca -0.16 -2.05 -0.18 0.00 -0.04 0.00 0.00 63.50 61.07 2gfu n PRO 199 Cb 0.56 -2.84 0.03 0.00 -0.04 0.00 0.00 33.50 31.20 2gfu n PRO 199 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2gfu n SER 200 N 4.92 4.01 0.00 3.54 2.88 -1.26 -5.23 113.62 122.47 2gfu n SER 200 Ca 0.59 -3.31 0.00 0.00 -1.33 0.00 0.00 58.87 54.83 2gfu n SER 200 Cb 0.27 -0.39 0.00 0.00 -0.75 0.00 0.00 64.21 63.34 2gfu n SER 200 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02