#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 0.00 -3.48 3.14 0.00 -1.26 -5.07 120.51 113.84 2gfu n ALA 69 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.31 2gfu n ALA 69 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2gfu n ALA 69 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 2gfu s LYS 70 N 1.97 0.26 -0.18 0.00 2.47 -1.26 -5.14 119.74 117.86 2gfu s LYS 70 Ca 0.00 0.53 -0.24 0.00 -1.56 0.00 0.00 55.97 54.69 2gfu s LYS 70 Cb 0.00 -0.54 -0.02 0.00 -1.46 0.00 0.00 37.83 35.82 2gfu s LYS 70 CO 0.00 -0.54 0.78 -0.80 0.16 0.00 0.00 175.35 174.95 2gfu s ASN 71 N 2.47 6.88 -0.11 1.43 -0.87 -1.26 -4.51 114.94 118.96 2gfu s ASN 71 Ca 0.07 1.08 -0.01 0.00 -1.57 0.00 0.00 52.86 52.43 2gfu s ASN 71 Cb -0.15 -2.43 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 2gfu s ASN 71 CO -0.13 -0.38 0.12 0.18 -2.57 0.00 0.00 177.10 174.31 2gfu n LEU 72 N 5.27 -2.94 -1.33 0.60 4.77 -1.26 -5.01 117.00 117.10 2gfu n LEU 72 Ca 0.03 0.03 0.06 0.00 -0.03 0.00 0.00 56.01 56.10 2gfu n LEU 72 Cb 0.49 -1.42 0.31 0.00 -2.33 0.00 0.00 43.42 40.47 2gfu n LEU 72 CO 0.47 -0.29 0.79 -0.46 -1.33 0.00 0.00 177.39 176.58 2gfu n ASN 73 N -0.87 4.52 0.00 -1.43 0.23 -1.26 -4.97 115.26 111.47 2gfu n ASN 73 Ca 0.01 -3.05 0.00 0.00 -0.53 0.00 0.00 54.58 51.01 2gfu n ASN 73 Cb 0.33 -0.61 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 2gfu n ASN 73 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2gfu n GLY 74 N -0.15 3.32 0.00 4.83 0.00 -1.26 -4.89 105.19 107.04 2gfu n GLY 74 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2gfu n GLY 74 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gfu n GLY 75 N -1.67 -1.78 1.66 -0.02 0.00 -1.26 -5.02 105.19 97.10 2gfu n GLY 75 Ca 0.00 -1.15 -0.04 0.00 0.00 0.00 0.00 46.02 44.83 2gfu n GLY 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2gfu n LEU 76 N 0.00 2.70 0.04 0.99 4.77 -1.26 -4.74 117.00 119.49 2gfu n LEU 76 Ca 0.00 -3.53 -0.12 0.00 -0.03 0.00 0.00 56.01 52.33 2gfu n LEU 76 Cb 0.00 -0.15 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 2gfu n LEU 76 CO 0.00 1.32 0.49 0.03 -1.33 0.00 0.00 177.39 177.90 2gfu h ARG 77 N 1.66 -0.15 -0.00 3.23 3.08 -1.98 -3.39 114.38 116.83 2gfu h ARG 77 Ca 0.02 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.08 2gfu h ARG 77 Cb 1.41 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.49 2gfu h ARG 77 CO 0.27 0.33 -0.21 0.54 -1.07 0.00 0.00 179.97 179.83 2gfu n ARG 78 N -4.90 3.33 0.00 0.04 1.74 -1.26 -5.03 116.66 110.58 2gfu n ARG 78 Ca -0.08 -0.30 0.00 0.00 -0.77 0.00 0.00 57.85 56.70 2gfu n ARG 78 Cb 0.27 -0.91 0.00 0.00 -1.02 0.00 0.00 32.46 30.80 2gfu n ARG 78 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2gfu n SER 79 N -0.66 0.00 0.00 0.55 2.88 -1.26 -4.81 113.62 110.32 2gfu n SER 79 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 2gfu n SER 79 Cb 0.13 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.59 2gfu n SER 79 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2gfu n VAL 80 N -0.78 0.00 -4.14 2.46 0.31 -1.26 -4.74 118.33 110.18 2gfu n VAL 80 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 2gfu n VAL 80 Cb 0.00 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.83 2gfu n VAL 80 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gfu s ALA 81 N 0.00 0.79 -1.25 3.52 0.00 -1.26 -5.07 121.76 118.50 2gfu s ALA 81 Ca 0.00 -1.32 -0.20 0.00 0.00 0.00 0.00 51.96 50.45 2gfu s ALA 81 Cb 0.00 0.30 -0.00 0.00 0.00 0.00 0.00 23.12 23.42 2gfu s ALA 81 CO 0.00 -0.32 1.85 -0.35 0.00 0.00 0.00 175.76 176.94 2gfu n PRO 82 N 0.00 2.52 0.00 0.00 -0.04 -1.26 -4.66 135.00 131.56 2gfu n PRO 82 Ca -0.12 -2.88 0.00 0.00 -0.04 0.00 0.00 63.50 60.46 2gfu n PRO 82 Cb 0.61 -3.55 0.00 0.00 -0.04 0.00 0.00 33.50 30.53 2gfu n PRO 82 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2gfu n ALA 83 N 10.40 0.75 -3.00 0.55 0.00 -1.26 -5.03 120.51 122.93 2gfu n ALA 83 Ca 0.48 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.53 2gfu n ALA 83 Cb 0.45 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -2.75 3.18 -1.29 0.00 0.00 -1.26 -5.05 121.76 114.59 2gfu s ALA 84 Ca 0.00 -1.57 -0.18 0.00 0.00 0.00 0.00 51.96 50.21 2gfu s ALA 84 Cb 0.00 -2.37 0.07 0.00 0.00 0.00 0.00 23.12 20.82 2gfu s ALA 84 CO 0.00 -1.13 1.73 -1.25 0.00 0.00 0.00 175.76 175.11 2gfu s PRO 85 N 1.53 3.99 0.00 0.00 0.04 -1.26 -3.96 135.00 135.34 2gfu s PRO 85 Ca 0.02 -2.00 0.00 0.00 0.04 0.00 0.00 61.00 59.06 2gfu s PRO 85 Cb -0.18 -5.53 0.00 0.00 0.04 0.00 0.00 34.50 28.83 2gfu s PRO 85 CO 0.05 -2.25 0.00 0.25 0.04 0.00 0.00 177.00 175.09 2gfu n THR 86 N 6.37 0.00 0.00 1.26 -2.24 -1.26 -4.82 114.28 113.60 2gfu n THR 86 Ca 0.49 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.27 2gfu n THR 86 Cb 0.46 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.69 2gfu n THR 86 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2gfu n SER 87 N 0.00 0.00 -3.33 3.42 2.88 -1.25 -4.76 113.62 110.57 2gfu n SER 87 Ca 0.00 0.00 -0.22 0.00 -1.33 0.00 0.00 58.87 57.32 2gfu n SER 87 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2gfu n SER 87 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2gfu s SER 88 N 0.00 1.39 -0.36 -3.46 1.04 -1.26 -4.72 113.70 106.33 2gfu s SER 88 Ca 0.00 -2.31 -0.04 0.00 0.48 0.00 0.00 55.95 54.08 2gfu s SER 88 Cb 0.00 0.11 0.19 0.00 0.10 0.00 0.00 66.02 66.42 2gfu s SER 88 CO 0.00 -0.21 0.96 1.51 0.98 0.00 0.00 173.24 176.48 2gfu s ASP 89 N 0.76 -0.62 -0.10 7.02 1.47 -1.26 -4.69 116.67 119.26 2gfu s ASP 89 Ca 0.25 -0.43 0.02 0.00 1.18 0.00 0.00 52.55 53.57 2gfu s ASP 89 Cb -0.08 0.80 0.01 0.00 -0.34 0.00 0.00 42.92 43.31 2gfu s ASP 89 CO -0.08 -0.06 -0.17 -0.36 0.68 0.00 0.00 175.17 175.18 2gfu s PHE 90 N 1.67 2.02 0.41 2.11 0.08 -1.26 -5.08 117.98 117.92 2gfu s PHE 90 Ca 0.18 -0.88 0.08 0.00 0.12 0.00 0.00 56.93 56.42 2gfu s PHE 90 Cb 0.04 -1.42 -0.04 0.00 -0.57 0.00 0.00 43.02 41.03 2gfu s PHE 90 CO -0.12 -0.42 0.28 -1.54 -0.10 0.00 0.00 175.22 173.32 2gfu s SER 91 N 0.74 4.76 0.51 1.36 1.04 -1.26 -5.00 113.70 115.85 2gfu s SER 91 Ca -0.12 -0.89 -0.22 0.00 0.48 0.00 0.00 55.95 55.21 2gfu s SER 91 Cb -0.16 -0.55 -0.06 0.00 0.10 0.00 0.00 66.02 65.35 2gfu s SER 91 CO 0.02 -0.58 1.23 -2.16 0.98 0.00 0.00 173.24 172.74 2gfu s PRO 92 N -4.01 3.45 0.00 4.02 0.04 -1.26 -3.52 135.00 133.72 2gfu s PRO 92 Ca 0.44 1.93 0.00 0.00 0.04 0.00 0.00 61.00 63.41 2gfu s PRO 92 Cb -0.00 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2gfu s PRO 92 CO 0.25 -0.85 0.00 0.41 0.04 0.00 0.00 177.00 176.86 2gfu n GLY 93 N 0.54 2.17 3.89 0.56 0.00 -1.13 -5.01 105.19 106.21 2gfu n GLY 93 Ca 0.09 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.59 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 0.11 5.87 -0.08 1.61 1.01 -1.23 -4.51 116.67 119.45 2gfu s ASP 94 Ca 0.00 1.06 0.03 0.00 0.71 0.00 0.00 52.55 54.35 2gfu s ASP 94 Cb 0.00 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.82 2gfu s ASP 94 CO 0.00 -0.98 -0.15 -0.76 0.21 0.00 0.00 175.17 173.49 2gfu s LEU 95 N -5.09 2.63 0.12 1.23 2.01 -1.26 -1.02 118.68 117.30 2gfu s LEU 95 Ca 0.54 -0.29 0.04 0.00 0.01 0.00 0.00 54.13 54.42 2gfu s LEU 95 Cb -0.11 -1.55 -0.04 0.00 0.01 0.00 0.00 46.19 44.50 2gfu s LEU 95 CO 0.49 0.26 -0.09 0.68 1.01 0.00 0.00 176.35 178.70 2gfu s VAL 96 N -0.23 1.00 -0.30 -1.59 -7.23 -0.94 -1.86 120.40 109.25 2gfu s VAL 96 Ca 0.00 -1.94 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 2gfu s VAL 96 Cb -0.13 -1.71 -0.04 0.00 0.56 0.00 0.00 36.38 35.07 2gfu s VAL 96 CO 0.03 -0.74 0.26 0.26 -0.31 0.00 0.00 175.10 174.60 2gfu s TRP 97 N -3.23 3.23 -0.05 2.82 0.52 -0.07 -1.31 118.94 120.85 2gfu s TRP 97 Ca 0.13 0.09 0.05 0.00 0.02 0.00 0.00 56.10 56.39 2gfu s TRP 97 Cb 0.02 -2.48 -0.02 0.00 -1.15 0.00 0.00 33.47 29.84 2gfu s TRP 97 CO -0.01 -0.25 -0.19 0.00 0.02 0.00 0.00 176.95 176.52 2gfu s ALA 98 N 1.85 2.47 0.04 0.98 0.00 0.15 0.05 121.76 127.31 2gfu s ALA 98 Ca 0.09 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 51.09 2gfu s ALA 98 Cb -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 23.12 22.09 2gfu s ALA 98 CO 0.11 0.52 -0.12 0.21 0.00 0.00 0.00 175.76 176.47 2gfu s LYS 99 N -0.57 2.25 0.11 0.00 2.47 -0.90 -1.89 119.74 121.21 2gfu s LYS 99 Ca 0.08 -0.90 0.06 0.00 -1.56 0.00 0.00 55.97 53.65 2gfu s LYS 99 Cb -0.11 -2.32 -0.04 0.00 -1.46 0.00 0.00 37.83 33.90 2gfu s LYS 99 CO 0.01 0.55 -0.15 1.41 0.16 0.00 0.00 175.35 177.33 2gfu s MET 100 N -1.60 0.99 -0.84 4.03 -2.45 -1.26 -4.82 119.30 113.36 2gfu s MET 100 Ca 0.17 -1.16 -0.25 0.00 -1.25 0.00 0.00 55.69 53.19 2gfu s MET 100 Cb -0.11 -0.97 -0.11 0.00 1.25 0.00 0.00 34.83 34.90 2gfu s MET 100 CO 0.08 0.20 2.25 -2.00 1.05 0.00 0.00 175.02 176.60 2gfu s GLU 101 N -2.33 1.90 0.00 4.11 2.56 -1.26 -1.29 118.70 122.40 2gfu s GLU 101 Ca 0.06 0.19 0.00 0.00 0.00 0.00 0.00 54.97 55.22 2gfu s GLU 101 Cb -0.07 -4.89 0.00 0.00 2.00 0.00 0.00 34.13 31.18 2gfu s GLU 101 CO 0.03 -4.13 0.00 0.41 -0.56 0.00 0.00 175.26 171.01 2gfu n GLY 102 N 6.81 0.89 3.97 -1.50 0.00 -1.26 -5.12 105.19 108.98 2gfu n GLY 102 Ca 0.45 0.00 -0.21 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 3.33 0.92 1.61 1.51 -0.41 -5.14 117.35 117.17 2gfu s TYR 103 Ca 0.00 0.02 -0.12 0.00 -1.01 0.00 0.00 57.07 55.97 2gfu s TYR 103 Cb 0.00 -1.86 0.14 0.00 -0.11 0.00 0.00 41.96 40.13 2gfu s TYR 103 CO 0.00 0.14 1.10 -2.14 -1.11 0.00 0.00 175.55 173.54 2gfu s PRO 104 N -4.18 1.10 0.14 -1.71 0.02 -1.26 -4.60 135.00 124.50 2gfu s PRO 104 Ca 0.40 0.62 -0.31 0.00 0.02 0.00 0.00 61.00 61.74 2gfu s PRO 104 Cb -0.09 -1.81 -0.08 0.00 0.02 0.00 0.00 34.50 32.54 2gfu s PRO 104 CO 0.32 -2.30 1.41 -1.58 -0.33 0.00 0.00 177.00 174.52 2gfu s TRP 105 N -3.02 3.21 -0.05 6.54 0.52 -1.26 -4.47 118.94 120.40 2gfu s TRP 105 Ca 0.64 0.94 0.03 0.00 0.02 0.00 0.00 56.10 57.72 2gfu s TRP 105 Cb -0.17 -3.71 0.01 0.00 -1.15 0.00 0.00 33.47 28.44 2gfu s TRP 105 CO 0.56 -2.49 -0.13 -1.58 0.02 0.00 0.00 176.95 173.33 2gfu s TRP 106 N 0.96 1.43 0.28 -1.98 0.23 -0.79 -4.93 118.94 114.14 2gfu s TRP 106 Ca 0.64 -0.48 -0.29 0.00 -2.03 0.00 0.00 56.10 53.94 2gfu s TRP 106 Cb -0.38 -1.03 -0.09 0.00 0.03 0.00 0.00 33.47 32.00 2gfu s TRP 106 CO 0.32 -0.23 1.16 -1.25 0.96 0.00 0.00 176.95 177.91 2gfu s PRO 107 N 0.47 4.56 0.17 4.98 0.05 -1.26 -0.67 135.00 143.30 2gfu s PRO 107 Ca -0.11 1.90 -0.14 0.00 0.05 0.00 0.00 61.00 62.70 2gfu s PRO 107 Cb -0.14 -3.17 0.02 0.00 0.05 0.00 0.00 34.50 31.25 2gfu s PRO 107 CO 0.03 0.09 0.42 -1.54 0.05 0.00 0.00 177.00 176.04 2gfu s SER 108 N -0.64 -0.14 0.09 6.66 1.04 -0.42 -3.63 113.70 116.65 2gfu s SER 108 Ca 0.47 -0.60 0.06 0.00 0.48 0.00 0.00 55.95 56.36 2gfu s SER 108 Cb -0.34 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.25 2gfu s SER 108 CO 0.43 -0.97 -0.07 -1.48 0.98 0.00 0.00 173.24 172.14 2gfu s LEU 109 N -2.90 3.18 -0.26 2.42 0.05 -0.80 -2.22 118.68 118.15 2gfu s LEU 109 Ca 0.11 -0.30 -0.19 0.00 0.05 0.00 0.00 54.13 53.80 2gfu s LEU 109 Cb 0.01 -1.94 -0.02 0.00 -2.05 0.00 0.00 46.19 42.18 2gfu s LEU 109 CO -0.03 0.19 0.56 -0.69 -0.55 0.00 0.00 176.35 175.82 2gfu s VAL 110 N -1.23 5.04 -0.02 1.48 1.01 -0.19 -1.39 120.40 125.11 2gfu s VAL 110 Ca 0.22 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.20 2gfu s VAL 110 Cb -0.11 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.37 2gfu s VAL 110 CO 0.15 0.05 -0.15 -0.47 0.00 0.00 0.00 175.10 174.68 2gfu s TYR 111 N 2.38 2.67 -0.43 5.22 5.04 -0.59 -2.83 117.35 128.80 2gfu s TYR 111 Ca 0.23 -0.18 -0.25 0.00 -2.44 0.00 0.00 57.07 54.43 2gfu s TYR 111 Cb -0.16 -1.58 0.02 0.00 0.35 0.00 0.00 41.96 40.60 2gfu s TYR 111 CO 0.09 0.21 0.88 0.54 -1.34 0.00 0.00 175.55 175.94 2gfu s ASN 112 N -0.99 6.52 0.53 4.32 4.22 -1.26 -4.61 114.94 123.66 2gfu s ASN 112 Ca 0.13 0.18 -0.07 0.00 -2.14 0.00 0.00 52.86 50.96 2gfu s ASN 112 Cb -0.11 -2.44 -0.04 0.00 1.28 0.00 0.00 41.25 39.95 2gfu s ASN 112 CO 0.02 -0.96 0.86 -2.28 -2.04 0.00 0.00 177.10 172.71 2gfu s HIS 113 N 3.55 3.57 -0.20 1.54 2.46 -1.26 -4.96 115.29 120.00 2gfu s HIS 113 Ca 0.35 0.95 0.13 0.00 0.47 0.00 0.00 55.06 56.96 2gfu s HIS 113 Cb -0.11 -2.45 0.70 0.00 -0.13 0.00 0.00 32.58 30.59 2gfu s HIS 113 CO 0.23 -0.43 1.31 -2.30 -2.47 0.00 0.00 174.74 171.09 2gfu n PRO 114 N -2.42 0.09 -2.38 2.88 -0.02 -1.26 -1.84 135.00 130.04 2gfu n PRO 114 Ca 0.02 0.55 -0.35 0.00 -2.02 0.00 0.00 63.50 61.70 2gfu n PRO 114 Cb 0.55 -1.96 0.01 0.00 -0.02 0.00 0.00 33.50 32.08 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 -1.97 3.19 -1.99 6.00 3.72 -1.26 -5.08 117.46 120.07 2gfu n PHE 115 Ca -0.01 -2.81 -0.29 0.00 -0.05 0.00 0.00 57.45 54.29 2gfu n PHE 115 Cb 0.20 -0.84 0.07 0.00 -0.94 0.00 0.00 39.48 37.96 2gfu n PHE 115 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2gfu s ASP 116 N -2.05 4.95 0.00 4.37 -4.77 -0.76 -4.42 116.67 113.99 2gfu s ASP 116 Ca 0.47 0.83 0.00 0.00 -3.30 0.00 0.00 52.55 50.56 2gfu s ASP 116 Cb 0.34 -1.49 0.00 0.00 -1.09 0.00 0.00 42.92 40.68 2gfu s ASP 116 CO -0.25 -1.60 0.00 0.61 0.70 0.00 0.00 175.17 174.63 2gfu n GLY 117 N -3.09 3.33 3.04 2.12 0.00 -1.26 -4.93 105.19 104.41 2gfu n GLY 117 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.35 1.68 0.00 2.61 2.01 -1.26 -5.06 115.64 113.27 2gfu s THR 118 Ca 0.00 -0.71 0.00 0.00 0.31 0.00 0.00 61.69 61.29 2gfu s THR 118 Cb 0.00 -1.56 0.00 0.00 0.01 0.00 0.00 72.50 70.95 2gfu s THR 118 CO 0.00 0.48 0.28 0.33 -0.69 0.00 0.00 174.62 175.02 2gfu n PHE 119 N 4.70 0.00 -4.35 4.92 7.35 -1.26 -4.98 117.46 123.84 2gfu n PHE 119 Ca -0.18 0.00 -0.26 0.00 -0.76 0.00 0.00 57.45 56.25 2gfu n PHE 119 Cb 0.50 0.00 -0.13 0.00 0.35 0.00 0.00 39.48 40.20 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 -0.30 1.95 0.06 -2.13 -4.36 -1.26 -4.09 121.20 111.07 2gfu s ILE 120 Ca 0.00 -1.62 -0.03 0.00 -0.26 0.00 0.00 60.65 58.74 2gfu s ILE 120 Cb 0.00 -1.75 -0.03 0.00 1.25 0.00 0.00 42.46 41.93 2gfu s ILE 120 CO 0.00 0.02 0.02 -0.13 0.24 0.00 0.00 174.94 175.09 2gfu s ARG 121 N -1.94 0.67 -0.18 0.37 0.52 -0.48 -5.02 118.95 112.90 2gfu s ARG 121 Ca 0.10 -1.17 -0.09 0.00 -0.52 0.00 0.00 55.73 54.05 2gfu s ARG 121 Cb -0.10 0.24 0.07 0.00 0.52 0.00 0.00 34.95 35.68 2gfu s ARG 121 CO 0.05 -0.15 0.43 -2.00 0.02 0.00 0.00 175.30 173.65 2gfu s GLU 122 N -3.91 0.39 -0.70 3.54 2.12 -1.26 0.16 118.70 119.04 2gfu s GLU 122 Ca 0.07 0.87 -0.11 0.00 0.36 0.00 0.00 54.97 56.16 2gfu s GLU 122 Cb 0.07 0.07 0.18 0.00 0.26 0.00 0.00 34.13 34.71 2gfu s GLU 122 CO -0.10 -0.18 0.61 0.15 -0.54 0.00 0.00 175.26 175.20 2gfu s LYS 123 N 1.71 3.16 0.99 4.30 -0.14 0.11 -4.92 119.74 124.95 2gfu s LYS 123 Ca -0.08 -2.27 0.00 0.00 -1.36 0.00 0.00 55.97 52.26 2gfu s LYS 123 Cb -0.09 -4.21 0.00 0.00 -1.68 0.00 0.00 37.83 31.85 2gfu s LYS 123 CO -0.13 -1.26 0.00 0.41 -0.76 0.00 0.00 175.35 173.61 2gfu n GLY 124 N 4.19 1.14 0.00 -3.33 0.00 -1.26 -0.94 105.19 104.99 2gfu n GLY 124 Ca 0.06 0.43 0.02 0.00 0.00 0.00 0.00 46.02 46.52 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 2.83 -2.88 1.61 5.02 -1.26 -4.96 118.16 118.52 2gfu n LYS 125 Ca 0.00 -0.02 -0.43 0.00 -2.02 0.00 0.00 58.31 55.84 2gfu n LYS 125 Cb 0.00 -0.88 -0.04 0.00 -0.02 0.00 0.00 35.03 34.09 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 -1.90 6.19 -0.02 4.39 0.01 -0.11 -5.03 113.70 117.24 2gfu s SER 126 Ca -0.00 -0.93 -0.23 0.00 1.31 0.00 0.00 55.95 56.09 2gfu s SER 126 Cb 0.02 -2.41 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 2gfu s SER 126 CO 0.15 -1.38 0.70 0.54 0.41 0.00 0.00 173.24 173.65 2gfu s VAL 127 N 3.93 4.92 -0.00 3.43 0.11 -1.26 0.10 120.40 131.63 2gfu s VAL 127 Ca 0.22 1.46 0.07 0.00 -2.93 0.00 0.00 61.98 60.80 2gfu s VAL 127 Cb -0.17 -4.04 -0.03 0.00 -1.53 0.00 0.00 36.38 30.61 2gfu s VAL 127 CO 0.11 0.32 -0.20 -0.13 -3.33 0.00 0.00 175.10 171.87 2gfu s ARG 128 N 0.33 2.18 0.19 1.54 0.52 0.12 0.60 118.95 124.44 2gfu s ARG 128 Ca 0.37 -0.89 0.03 0.00 -0.52 0.00 0.00 55.73 54.71 2gfu s ARG 128 Cb -0.19 -2.18 -0.05 0.00 0.52 0.00 0.00 34.95 33.06 2gfu s ARG 128 CO 0.19 0.57 -0.02 0.14 0.02 0.00 0.00 175.30 176.21 2gfu s VAL 129 N -0.76 0.89 -0.32 3.52 -7.23 -1.24 -1.38 120.40 113.88 2gfu s VAL 129 Ca 0.12 -2.01 -0.22 0.00 -1.81 0.00 0.00 61.98 58.06 2gfu s VAL 129 Cb -0.10 -2.16 -0.00 0.00 0.56 0.00 0.00 36.38 34.67 2gfu s VAL 129 CO 0.02 -0.46 0.71 -1.00 -0.31 0.00 0.00 175.10 174.06 2gfu s HIS 130 N -3.51 3.19 0.31 2.82 0.09 -1.26 -2.22 115.29 114.71 2gfu s HIS 130 Ca 0.24 0.65 0.03 0.00 -0.00 0.00 0.00 55.06 55.98 2gfu s HIS 130 Cb 0.05 -3.14 -0.04 0.00 -0.00 0.00 0.00 32.58 29.45 2gfu s HIS 130 CO 0.05 -0.56 0.14 0.14 -0.00 0.00 0.00 174.74 174.51 2gfu s VAL 131 N 2.81 0.47 0.02 -0.90 -7.23 -1.23 -1.54 120.40 112.80 2gfu s VAL 131 Ca 0.29 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.46 2gfu s VAL 131 Cb -0.14 -2.54 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2gfu s VAL 131 CO 0.13 0.00 -0.04 0.00 -0.31 0.00 0.00 175.10 174.88 2gfu s GLN 132 N -3.85 0.34 -0.22 4.82 1.03 -0.48 -3.45 119.66 117.85 2gfu s GLN 132 Ca 0.35 -0.54 -0.10 0.00 0.04 0.00 0.00 55.36 55.10 2gfu s GLN 132 Cb 0.05 -0.06 -0.05 0.00 0.03 0.00 0.00 33.01 32.98 2gfu s GLN 132 CO 0.16 -0.00 0.15 -0.06 -2.54 0.00 0.00 175.29 173.00 2gfu s PHE 133 N -1.14 3.36 -1.09 9.60 0.08 0.23 -1.91 117.98 127.11 2gfu s PHE 133 Ca -0.11 0.28 -0.11 0.00 0.12 0.00 0.00 56.93 57.12 2gfu s PHE 133 Cb -0.08 -2.23 -0.07 0.00 -0.57 0.00 0.00 43.02 40.07 2gfu s PHE 133 CO -0.00 0.16 2.26 1.19 -0.10 0.00 0.00 175.22 178.73 2gfu n PHE 134 N 3.95 1.90 0.00 0.36 3.72 -1.24 -2.73 117.46 123.43 2gfu n PHE 134 Ca -0.15 -2.27 0.00 0.00 -0.05 0.00 0.00 57.45 54.98 2gfu n PHE 134 Cb 0.52 -1.94 0.00 0.00 -0.94 0.00 0.00 39.48 37.12 2gfu n PHE 134 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2gfu n ASP 135 N 4.90 0.00 -0.02 4.37 5.75 -1.26 -4.25 116.55 126.04 2gfu n ASP 135 Ca 0.53 0.00 -0.03 0.00 -0.01 0.00 0.00 54.79 55.29 2gfu n ASP 135 Cb 0.23 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.31 2gfu n ASP 135 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2gfu n ASP 136 N 0.00 0.77 0.08 -1.12 5.75 -1.26 -4.89 116.55 115.89 2gfu n ASP 136 Ca 0.00 0.12 -0.12 0.00 -0.01 0.00 0.00 54.79 54.79 2gfu n ASP 136 Cb 0.00 -0.46 -0.13 0.00 -1.03 0.00 0.00 41.12 39.51 2gfu n ASP 136 CO 0.00 0.00 0.00 0.77 -0.11 0.00 0.00 177.20 177.86 2gfu h SER 137 N -0.31 0.22 -2.48 -1.12 4.64 -1.93 -3.49 113.55 109.09 2gfu h SER 137 Ca 0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2gfu h SER 137 Cb 0.31 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 2gfu h SER 137 CO 0.00 1.18 0.00 -0.81 -0.87 0.00 0.00 176.83 176.33 2gfu n PRO 138 N -3.45 1.20 -3.69 4.77 -0.04 -1.26 -4.50 135.00 128.03 2gfu n PRO 138 Ca -0.04 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 63.05 2gfu n PRO 138 Cb 0.98 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.37 2gfu n PRO 138 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 2gfu s THR 139 N 0.59 5.35 0.03 0.52 2.01 -1.10 -4.98 115.64 118.05 2gfu s THR 139 Ca 0.00 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2gfu s THR 139 Cb 0.00 -3.53 -0.02 0.00 0.01 0.00 0.00 72.50 68.96 2gfu s THR 139 CO 0.00 0.52 -0.06 -0.60 -0.69 0.00 0.00 174.62 173.78 2gfu s ARG 140 N -0.38 0.46 0.20 4.92 3.00 -1.26 -0.60 118.95 125.30 2gfu s ARG 140 Ca 0.16 -0.58 -0.21 0.00 -1.00 0.00 0.00 55.73 54.09 2gfu s ARG 140 Cb -0.13 -0.27 0.07 0.00 0.00 0.00 0.00 34.95 34.63 2gfu s ARG 140 CO 0.05 0.05 1.01 0.41 0.00 0.00 0.00 175.30 176.82 2gfu n GLY 141 N 1.88 0.63 3.55 8.12 0.00 -1.22 -5.05 105.19 113.09 2gfu n GLY 141 Ca -0.20 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.11 2.92 0.67 1.61 0.52 -1.26 -3.53 118.94 117.76 2gfu s TRP 142 Ca 0.22 0.22 -0.04 0.00 0.02 0.00 0.00 56.10 56.52 2gfu s TRP 142 Cb -0.03 -3.89 0.14 0.00 -1.15 0.00 0.00 33.47 28.54 2gfu s TRP 142 CO 0.06 -1.11 0.92 1.33 0.02 0.00 0.00 176.95 178.16 2gfu n VAL 143 N 6.28 0.00 -3.57 4.03 0.24 -0.94 -4.94 118.33 119.43 2gfu n VAL 143 Ca 0.04 -1.20 -0.39 0.00 -2.04 0.00 0.00 64.34 60.75 2gfu n VAL 143 Cb 0.48 -1.13 -0.11 0.00 -1.47 0.00 0.00 33.84 31.61 2gfu n VAL 143 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2gfu s SER 144 N -4.60 5.99 0.21 -1.34 0.01 -1.26 -3.70 113.70 109.01 2gfu s SER 144 Ca 0.58 -0.26 0.23 0.00 1.31 0.00 0.00 55.95 57.81 2gfu s SER 144 Cb -0.03 -2.12 0.92 0.00 0.21 0.00 0.00 66.02 65.00 2gfu s SER 144 CO 0.39 -0.16 1.71 1.17 0.41 0.00 0.00 173.24 176.76 2gfu n LYS 145 N 5.08 0.18 0.06 12.44 4.81 0.20 -1.98 118.16 138.95 2gfu n LYS 145 Ca -0.13 0.35 0.12 0.00 -0.87 0.00 0.00 58.31 57.77 2gfu n LYS 145 Cb 0.51 -1.81 0.46 0.00 0.02 0.00 0.00 35.03 34.21 2gfu n LYS 145 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 2gfu n ARG 146 N -2.14 0.11 -0.14 1.64 1.85 -1.26 -2.55 116.66 114.17 2gfu n ARG 146 Ca 0.03 0.22 0.12 0.00 -1.00 0.00 0.00 57.85 57.22 2gfu n ARG 146 Cb 0.27 -1.67 0.18 0.00 -1.05 0.00 0.00 32.46 30.20 2gfu n ARG 146 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2gfu n LEU 147 N -1.87 3.34 -4.73 2.89 4.77 -0.84 -4.90 117.00 115.66 2gfu n LEU 147 Ca 0.05 -1.38 -0.37 0.00 -0.03 0.00 0.00 56.01 54.27 2gfu n LEU 147 Cb 0.29 -0.19 -0.07 0.00 -2.33 0.00 0.00 43.42 41.13 2gfu n LEU 147 CO 0.23 0.68 0.07 -0.76 -1.33 0.00 0.00 177.39 176.28 2gfu s LEU 148 N -1.59 4.27 0.35 2.23 1.43 -1.05 -2.11 118.68 122.20 2gfu s LEU 148 Ca 0.36 0.65 0.09 0.00 -1.03 0.00 0.00 54.13 54.19 2gfu s LEU 148 Cb 0.22 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.87 2gfu s LEU 148 CO 0.31 0.07 0.06 -0.54 0.23 0.00 0.00 176.35 176.48 2gfu s LYS 149 N 0.48 2.16 0.49 1.70 -0.14 0.11 -4.63 119.74 119.90 2gfu s LYS 149 Ca 0.21 -1.72 -0.13 0.00 -1.36 0.00 0.00 55.97 52.96 2gfu s LYS 149 Cb -0.14 -1.98 -0.06 0.00 -1.68 0.00 0.00 37.83 33.96 2gfu s LYS 149 CO 0.07 0.09 0.91 -1.25 -0.76 0.00 0.00 175.35 174.41 2gfu s PRO 150 N -3.77 3.81 -0.13 -1.68 0.04 -1.26 -0.90 135.00 131.12 2gfu s PRO 150 Ca 0.36 0.71 0.02 0.00 0.04 0.00 0.00 61.00 62.13 2gfu s PRO 150 Cb 0.00 -2.23 0.02 0.00 0.04 0.00 0.00 34.50 32.33 2gfu s PRO 150 CO 0.20 -0.23 -0.17 -0.47 0.04 0.00 0.00 177.00 176.37 2gfu s TYR 151 N -2.63 2.21 0.00 0.56 6.14 -0.78 -4.50 117.35 118.35 2gfu s TYR 151 Ca 0.55 -1.11 0.00 0.00 0.64 0.00 0.00 57.07 57.15 2gfu s TYR 151 Cb -0.10 -1.57 0.00 0.00 0.42 0.00 0.00 41.96 40.71 2gfu s TYR 151 CO 0.36 -0.56 0.73 -2.37 0.64 0.00 0.00 175.55 174.34 2gfu n THR 152 N 4.30 0.00 -2.69 4.34 5.66 -1.26 -4.73 114.28 119.90 2gfu n THR 152 Ca -0.19 0.00 -0.02 0.00 -3.05 0.00 0.00 64.05 60.79 2gfu n THR 152 Cb 0.51 0.27 0.03 0.00 -1.55 0.00 0.00 70.33 69.58 2gfu n THR 152 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gfu s GLY 153 N -0.53 -1.85 0.08 1.09 0.00 -1.26 -4.97 107.32 99.89 2gfu s GLY 153 Ca 0.00 0.68 0.15 0.00 0.00 0.00 0.00 44.72 45.55 2gfu s GLY 153 CO 0.00 4.29 1.47 1.44 0.00 0.00 0.00 173.10 180.31 2gfu n SER 154 N 2.79 0.20 -1.84 1.64 7.64 -1.26 -2.84 113.62 119.95 2gfu n SER 154 Ca 0.11 0.56 -0.16 0.00 1.01 0.00 0.00 58.87 60.39 2gfu n SER 154 Cb 0.64 -0.60 0.06 0.00 -1.01 0.00 0.00 64.21 63.30 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 -1.73 2.98 -3.64 1.43 2.85 -1.26 -4.25 118.16 114.54 2gfu n LYS 155 Ca 0.02 -3.90 -0.33 0.00 -1.05 0.00 0.00 58.31 53.06 2gfu n LYS 155 Cb 0.15 -2.04 -0.05 0.00 -0.65 0.00 0.00 35.03 32.44 2gfu n LYS 155 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2gfu s SER 156 N -3.52 6.54 0.58 -5.58 0.01 -1.13 -4.87 113.70 105.73 2gfu s SER 156 Ca 0.46 0.66 0.31 0.00 1.31 0.00 0.00 55.95 58.69 2gfu s SER 156 Cb 0.39 -2.12 1.76 0.00 0.21 0.00 0.00 66.02 66.26 2gfu s SER 156 CO 0.01 0.11 2.20 0.50 0.41 0.00 0.00 173.24 176.47 2gfu h LYS 157 N 3.21 0.00 0.00 12.44 3.64 -1.93 0.35 116.57 134.29 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 1.18 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2gfu h LYS 157 CO 0.70 0.04 -0.21 0.93 -2.27 0.00 0.00 179.45 178.64 2gfu h GLU 158 N 0.00 0.00 0.07 1.90 3.07 -1.92 -3.13 114.58 114.57 2gfu h GLU 158 Ca -0.00 0.00 -0.37 0.00 -0.50 0.00 0.00 59.36 58.49 2gfu h GLU 158 Cb 0.12 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 27.99 2gfu h GLU 158 CO 0.01 0.00 -2.19 0.00 -1.40 0.00 0.00 179.01 175.42 2gfu n ALA 159 N -2.06 1.13 -1.66 3.43 0.00 0.90 -0.17 120.51 122.08 2gfu n ALA 159 Ca 0.03 -0.81 -0.08 0.00 0.00 0.00 0.00 53.44 52.58 2gfu n ALA 159 Cb 0.52 -0.44 0.07 0.00 0.00 0.00 0.00 19.45 19.59 2gfu n ALA 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gfu n GLN 160 N -3.37 -0.24 -2.05 0.00 -0.00 0.64 -3.81 117.38 108.55 2gfu n GLN 160 Ca -0.37 -0.85 -0.42 0.00 -0.00 0.00 0.00 57.00 55.36 2gfu n GLN 160 Cb 1.03 -0.43 -0.03 0.00 -0.00 0.00 0.00 30.24 30.81 2gfu n GLN 160 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2gfu s LYS 161 N -3.89 4.20 0.00 2.61 2.20 -1.26 -0.54 119.74 123.06 2gfu s LYS 161 Ca 0.27 2.14 0.00 0.00 -0.36 0.00 0.00 55.97 58.02 2gfu s LYS 161 Cb -0.01 -3.87 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 2gfu s LYS 161 CO 0.19 -0.79 0.00 0.41 -0.36 0.00 0.00 175.35 174.80 2gfu n GLY 162 N 4.01 1.26 3.88 5.54 0.00 -1.26 -5.10 105.19 113.52 2gfu n GLY 162 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 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 -2.25 1.70 0.22 -0.02 0.00 0.29 -4.96 107.32 102.30 2gfu s GLY 163 Ca 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 44.72 44.44 2gfu s GLY 163 CO 0.00 0.04 1.89 0.45 0.00 0.00 0.00 173.10 175.48 2gfu h HIS 164 N 0.19 1.05 0.00 1.90 3.86 -1.64 -3.24 115.15 117.27 2gfu h HIS 164 Ca -0.46 0.02 -0.31 0.00 -1.16 0.00 0.00 60.37 58.47 2gfu h HIS 164 Cb 1.19 -0.35 -0.06 0.00 1.06 0.00 0.00 27.41 29.25 2gfu h HIS 164 CO 0.63 0.66 -1.88 1.19 0.86 0.00 0.00 177.93 179.39 2gfu n PHE 165 N -4.50 0.75 0.00 2.45 3.72 0.76 -4.90 117.46 115.74 2gfu n PHE 165 Ca 0.09 0.27 0.00 0.00 -0.05 0.00 0.00 57.45 57.76 2gfu n PHE 165 Cb 0.02 -1.14 0.00 0.00 -0.94 0.00 0.00 39.48 37.42 2gfu n PHE 165 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 2gfu n TYR 166 N -2.97 0.00 -3.57 1.38 9.36 -1.11 -4.69 117.16 115.56 2gfu n TYR 166 Ca -0.21 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 60.79 2gfu n TYR 166 Cb 1.08 0.00 0.02 0.00 -0.63 0.00 0.00 39.34 39.81 2gfu n TYR 166 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 2gfu n SER 167 N 0.00 -5.79 -4.51 2.98 7.64 -1.26 -4.89 113.62 107.79 2gfu n SER 167 Ca 0.00 -0.77 -0.42 0.00 1.01 0.00 0.00 58.87 58.69 2gfu n SER 167 Cb 0.00 -3.28 -0.03 0.00 -1.01 0.00 0.00 64.21 59.89 2gfu n SER 167 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gfu s ALA 168 N -3.19 2.94 0.07 -0.43 0.00 -1.26 -4.75 121.76 115.13 2gfu s ALA 168 Ca 0.20 -1.49 0.10 0.00 0.00 0.00 0.00 51.96 50.77 2gfu s ALA 168 Cb -0.08 -4.05 -0.03 0.00 0.00 0.00 0.00 23.12 18.96 2gfu s ALA 168 CO 0.85 -2.98 -0.26 0.21 0.00 0.00 0.00 175.76 173.58 2gfu s LYS 169 N 4.92 1.63 0.35 0.00 2.20 -1.26 -5.00 119.74 122.58 2gfu s LYS 169 Ca 0.30 -1.16 0.12 0.00 -0.36 0.00 0.00 55.97 54.87 2gfu s LYS 169 Cb -0.12 -1.89 0.91 0.00 -1.51 0.00 0.00 37.83 35.22 2gfu s LYS 169 CO 0.14 0.48 1.78 -1.00 -0.36 0.00 0.00 175.35 176.39 2gfu h PRO 170 N 4.53 0.57 -0.22 4.03 0.13 -1.98 0.19 132.00 139.24 2gfu h PRO 170 Ca -0.47 -0.03 -0.13 0.00 -0.87 0.00 0.00 66.00 64.49 2gfu h PRO 170 Cb 1.15 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 32.14 2gfu h PRO 170 CO 0.42 0.37 -0.43 1.05 -0.23 0.00 0.00 178.00 179.19 2gfu h GLU 171 N 0.58 0.53 0.00 0.86 4.11 -1.91 -0.99 114.58 117.75 2gfu h GLU 171 Ca 0.58 -0.28 -0.19 0.00 0.07 0.00 0.00 59.36 59.54 2gfu h GLU 171 Cb 1.16 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 2gfu h GLU 171 CO -0.35 0.86 -0.86 0.82 0.07 0.00 0.00 179.01 179.56 2gfu h ILE 172 N 0.43 1.51 0.28 -1.06 2.04 -1.49 -2.02 117.51 117.20 2gfu h ILE 172 Ca 0.03 -2.64 -0.01 0.00 1.00 0.00 0.00 64.86 63.24 2gfu h ILE 172 Cb 0.93 2.46 0.00 0.00 -0.74 0.00 0.00 36.82 39.47 2gfu h ILE 172 CO 0.08 0.77 -0.13 -0.07 0.00 0.00 0.00 178.15 178.79 2gfu h LEU 173 N 0.08 -0.31 -1.56 1.44 3.38 -0.97 -2.40 115.31 114.98 2gfu h LEU 173 Ca -0.03 -0.09 0.08 0.00 0.09 0.00 0.00 57.88 57.92 2gfu h LEU 173 Cb 1.48 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 42.27 2gfu h LEU 173 CO 0.13 -0.10 0.40 -0.09 0.09 0.00 0.00 178.44 178.87 2gfu h ARG 174 N -0.52 0.51 -0.18 1.13 1.12 -1.16 0.08 114.38 115.37 2gfu h ARG 174 Ca -0.04 -0.03 -0.06 0.00 -1.11 0.00 0.00 59.98 58.74 2gfu h ARG 174 Cb 0.38 -0.12 -0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2gfu h ARG 174 CO 0.06 0.34 -0.14 0.00 -3.11 0.00 0.00 179.97 177.12 2gfu h ALA 175 N 1.68 0.26 -0.19 2.80 0.00 -1.39 0.86 119.26 123.28 2gfu h ALA 175 Ca 0.27 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2gfu h ALA 175 Cb 0.38 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2gfu h ALA 175 CO -0.08 0.13 -0.26 0.52 0.00 0.00 0.00 179.25 179.56 2gfu h MET 176 N 0.07 0.36 0.11 0.00 2.86 -0.83 0.21 114.93 117.71 2gfu h MET 176 Ca 0.03 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2gfu h MET 176 Cb 0.65 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.29 2gfu h MET 176 CO 0.04 0.60 -0.05 1.96 1.06 0.00 0.00 176.91 180.51 2gfu h GLN 177 N 0.32 -0.14 -0.13 1.72 4.20 -0.99 -1.54 115.11 118.54 2gfu h GLN 177 Ca 0.05 0.01 -0.18 0.00 0.06 0.00 0.00 58.65 58.59 2gfu h GLN 177 Cb 0.64 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.44 2gfu h GLN 177 CO 0.05 0.30 -0.65 0.07 -0.67 0.00 0.00 178.83 177.92 2gfu h ARG 178 N -0.65 0.50 -0.60 1.46 0.11 -0.88 -2.65 114.38 111.68 2gfu h ARG 178 Ca -0.02 -0.37 -0.10 0.00 0.10 0.00 0.00 59.98 59.60 2gfu h ARG 178 Cb 0.51 0.06 -0.02 0.00 1.11 0.00 0.00 29.97 31.63 2gfu h ARG 178 CO 0.03 0.99 -0.02 0.00 0.10 0.00 0.00 179.97 181.06 2gfu h ALA 179 N 0.92 0.82 -0.51 0.08 0.00 -1.09 -2.83 119.26 116.65 2gfu h ALA 179 Ca -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 2gfu h ALA 179 Cb 1.22 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.76 2gfu h ALA 179 CO 0.12 0.68 0.21 0.22 0.00 0.00 0.00 179.25 180.48 2gfu h ASP 180 N 0.98 0.65 -0.28 0.00 3.58 -1.24 0.15 116.42 120.26 2gfu h ASP 180 Ca 0.17 -0.07 -0.04 0.00 0.42 0.00 0.00 57.03 57.51 2gfu h ASP 180 Cb 0.59 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2gfu h ASP 180 CO 0.03 0.58 0.03 -0.08 -2.88 0.00 0.00 179.24 176.93 2gfu h GLU 181 N 0.72 0.47 -0.18 0.28 4.57 -1.46 -2.35 114.58 116.63 2gfu h GLU 181 Ca 0.18 -0.13 -0.16 0.00 -1.18 0.00 0.00 59.36 58.06 2gfu h GLU 181 Cb 0.13 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 28.66 2gfu h GLU 181 CO -0.02 0.59 -0.57 0.00 -1.18 0.00 0.00 179.01 177.84 2gfu h ALA 182 N 0.86 0.68 0.00 2.92 0.00 -1.21 -2.38 119.26 120.13 2gfu h ALA 182 Ca 0.08 -0.52 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2gfu h ALA 182 Cb 0.36 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2gfu h ALA 182 CO 0.01 0.69 -0.88 1.37 0.00 0.00 0.00 179.25 180.44 2gfu h LEU 183 N 0.42 0.00 0.00 0.00 -0.00 -0.80 -3.21 115.31 111.72 2gfu h LEU 183 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2gfu h LEU 183 Cb 1.11 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.77 2gfu h LEU 183 CO 0.11 0.88 -0.74 -1.13 -0.00 0.00 0.00 178.44 177.56 2gfu h ASN 184 N 0.00 0.00 0.00 0.17 -1.24 -1.51 -3.45 115.58 109.54 2gfu h ASN 184 Ca -0.01 -0.22 0.00 0.00 0.71 0.00 0.00 56.30 56.79 2gfu h ASN 184 Cb 1.67 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.72 2gfu h ASN 184 CO 0.11 0.11 0.00 0.29 -1.29 0.00 0.00 177.43 176.65 2gfu n LYS 185 N -2.16 0.00 -4.13 6.67 5.02 -0.89 -5.06 118.16 117.61 2gfu n LYS 185 Ca 0.03 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.21 2gfu n LYS 185 Cb 0.45 0.00 -0.10 0.00 -0.02 0.00 0.00 35.03 35.36 2gfu n LYS 185 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2gfu s ASP 186 N 0.52 1.00 0.38 4.39 2.15 -1.21 -5.03 116.67 118.87 2gfu s ASP 186 Ca 0.00 -0.87 0.15 0.00 0.43 0.00 0.00 52.55 52.26 2gfu s ASP 186 Cb 0.00 0.08 0.99 0.00 -0.30 0.00 0.00 42.92 43.70 2gfu s ASP 186 CO 0.00 -0.40 1.81 0.11 -0.17 0.00 0.00 175.17 176.52 2gfu h LYS 187 N 3.45 0.49 -0.42 4.34 1.79 -1.79 -1.46 116.57 122.97 2gfu h LYS 187 Ca -0.35 -0.03 0.12 0.00 -2.18 0.00 0.00 60.65 58.21 2gfu h LYS 187 Cb 1.17 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.70 2gfu h LYS 187 CO 0.57 0.32 0.34 0.97 -1.08 0.00 0.00 179.45 180.58 2gfu h ILE 188 N 0.51 0.62 0.00 1.86 2.10 -1.90 -1.16 117.51 119.54 2gfu h ILE 188 Ca 0.53 0.00 -0.12 0.00 1.08 0.00 0.00 64.86 66.36 2gfu h ILE 188 Cb 1.19 0.75 -0.02 0.00 -1.09 0.00 0.00 36.82 37.65 2gfu h ILE 188 CO -0.26 0.00 -0.57 0.11 -1.08 0.00 0.00 178.15 176.34 2gfu h LYS 189 N 0.00 0.00 -0.06 2.19 6.56 -1.58 -1.91 116.57 121.77 2gfu h LYS 189 Ca 0.20 0.00 -0.19 0.00 -1.06 0.00 0.00 60.65 59.59 2gfu h LYS 189 Cb 0.88 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.55 2gfu h LYS 189 CO -0.00 0.57 -0.72 0.07 -2.06 0.00 0.00 179.45 177.31 2gfu h ARG 190 N 0.00 0.59 0.00 3.15 -0.00 -1.38 -3.33 114.38 113.40 2gfu h ARG 190 Ca -0.01 -0.56 0.00 0.00 -0.00 0.00 0.00 59.98 59.42 2gfu h ARG 190 Cb 1.04 0.14 0.00 0.00 -0.00 0.00 0.00 29.97 31.15 2gfu h ARG 190 CO 0.07 1.18 0.00 -0.07 -0.00 0.00 0.00 179.97 181.15 2gfu h LEU 191 N 0.20 0.00 -1.52 0.08 3.38 -1.50 0.15 115.31 116.11 2gfu h LEU 191 Ca -0.07 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 2gfu h LEU 191 Cb 1.38 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2gfu h LEU 191 CO 0.14 0.00 -0.24 -0.08 0.09 0.00 0.00 178.44 178.35 2gfu h GLU 192 N 0.00 0.00 0.00 1.13 4.81 -1.45 -3.34 114.58 115.73 2gfu h GLU 192 Ca 0.00 0.00 -0.35 0.00 -0.13 0.00 0.00 59.36 58.88 2gfu h GLU 192 Cb 0.32 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 2gfu h GLU 192 CO 0.00 0.24 -2.16 1.28 -0.73 0.00 0.00 179.01 177.64 2gfu n LEU 193 N -4.24 1.46 -3.39 1.64 4.77 -0.61 -4.74 117.00 111.90 2gfu n LEU 193 Ca -0.02 0.25 -0.26 0.00 -0.03 0.00 0.00 56.01 55.95 2gfu n LEU 193 Cb 0.30 -0.61 -0.05 0.00 -2.33 0.00 0.00 43.42 40.73 2gfu n LEU 193 CO 0.37 0.43 -0.10 0.00 -1.33 0.00 0.00 177.39 176.77 2gfu n ALA 194 N -3.93 -0.84 -0.88 -1.18 0.00 0.44 -2.03 120.51 112.09 2gfu n ALA 194 Ca -0.41 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2gfu n ALA 194 Cb 0.79 -1.56 0.00 0.00 0.00 0.00 0.00 19.45 18.68 2gfu n ALA 194 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gfu n VAL 195 N -2.84 -1.02 -1.56 0.00 0.31 -1.26 -4.91 118.33 107.03 2gfu n VAL 195 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 64.34 64.26 2gfu n VAL 195 Cb 0.33 -2.26 -0.12 0.00 -0.91 0.00 0.00 33.84 30.88 2gfu n VAL 195 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 2gfu n SER 196 N -0.37 1.24 0.00 4.52 3.41 -0.86 -4.32 113.62 117.25 2gfu n SER 196 Ca 0.00 -2.46 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 2gfu n SER 196 Cb 0.07 -1.71 0.00 0.00 -0.26 0.00 0.00 64.21 62.31 2gfu n SER 196 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2gfu n ASP 197 N 19.76 0.00 -3.31 4.04 8.00 -1.26 -4.46 116.55 139.31 2gfu n ASP 197 Ca 0.40 0.00 -0.24 0.00 0.71 0.00 0.00 54.79 55.66 2gfu n ASP 197 Cb 0.47 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.48 2gfu n ASP 197 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2gfu s GLU 198 N -0.60 0.91 0.00 -1.24 2.12 -1.26 -5.06 118.70 113.58 2gfu s GLU 198 Ca 0.00 -1.96 0.00 0.00 0.36 0.00 0.00 54.97 53.37 2gfu s GLU 198 Cb 0.00 -1.23 0.00 0.00 0.26 0.00 0.00 34.13 33.16 2gfu s GLU 198 CO 0.00 -1.38 0.00 -0.35 -0.54 0.00 0.00 175.26 172.99 2gfu n PRO 199 N 2.89 0.00 0.00 4.30 -0.04 -1.26 -5.06 135.00 135.83 2gfu n PRO 199 Ca 0.28 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2gfu n PRO 199 Cb 0.49 -0.31 0.00 0.00 -0.04 0.00 0.00 33.50 33.64 2gfu n PRO 199 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2gfu n SER 200 N -0.44 0.00 -0.38 3.54 7.64 -1.26 -5.18 113.62 117.54 2gfu n SER 200 Ca 0.00 0.00 0.14 0.00 1.01 0.00 0.00 58.87 60.02 2gfu n SER 200 Cb 0.00 0.15 0.61 0.00 -1.01 0.00 0.00 64.21 63.96 2gfu n SER 200 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24