#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k89 n ASN 50 N 0.00 -7.35 -4.11 0.00 3.02 -1.26 -5.00 115.26 100.56 2k89 n ASN 50 Ca 0.00 -0.22 -0.33 0.00 -0.03 0.00 0.00 54.58 54.00 2k89 n ASN 50 Cb 0.00 -4.80 -0.14 0.00 -0.61 0.00 0.00 39.78 34.23 2k89 n ASN 50 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2k89 s GLN 51 N -3.33 2.30 -0.10 3.52 0.74 -1.26 -4.92 119.66 116.61 2k89 s GLN 51 Ca 0.02 -1.33 -0.06 0.00 0.05 0.00 0.00 55.36 54.03 2k89 s GLN 51 Cb -0.00 -3.01 0.02 0.00 1.10 0.00 0.00 33.01 31.12 2k89 s GLN 51 CO 0.77 -0.60 0.13 0.94 -0.55 0.00 0.00 175.29 175.98 2k89 n GLN 52 N 4.50 -2.37 -2.33 1.67 -0.06 -1.26 -4.83 117.38 112.71 2k89 n GLN 52 Ca -0.13 2.03 -0.40 0.00 -2.00 0.00 0.00 57.00 56.49 2k89 n GLN 52 Cb 0.43 -3.10 -0.01 0.00 -4.06 0.00 0.00 30.24 23.49 2k89 n GLN 52 CO 0.00 0.00 0.00 0.25 -0.20 0.00 0.00 177.06 177.11 2k89 n THR 53 N 0.87 3.44 -1.34 1.69 -2.24 -1.26 -4.67 114.28 110.77 2k89 n THR 53 Ca -0.22 -3.49 -0.12 0.00 -2.27 0.00 0.00 64.05 57.95 2k89 n THR 53 Cb 0.34 -2.35 0.20 0.00 -2.10 0.00 0.00 70.33 66.42 2k89 n THR 53 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k89 n SER 54 N 9.17 3.11 -2.53 3.42 3.41 -1.26 -4.93 113.62 124.01 2k89 n SER 54 Ca 0.49 -3.67 -0.08 0.00 -0.26 0.00 0.00 58.87 55.34 2k89 n SER 54 Cb 0.45 -0.72 0.04 0.00 -0.26 0.00 0.00 64.21 63.72 2k89 n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k89 n GLY 55 N -1.08 -0.39 3.76 5.00 0.00 -1.26 -4.83 105.19 106.40 2k89 n GLY 55 Ca 0.44 0.23 -0.41 0.00 0.00 0.00 0.00 46.02 46.28 2k89 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k89 s LYS 56 N -3.73 4.25 -0.25 1.61 -0.14 -1.26 -4.72 119.74 115.49 2k89 s LYS 56 Ca 0.24 2.36 -0.11 0.00 -1.36 0.00 0.00 55.97 57.10 2k89 s LYS 56 Cb -0.03 -3.06 -0.05 0.00 -1.68 0.00 0.00 37.83 33.01 2k89 s LYS 56 CO 0.44 -0.40 0.19 0.08 -0.76 0.00 0.00 175.35 174.90 2k89 s VAL 57 N -0.53 5.33 -0.40 3.17 1.01 0.32 -4.86 120.40 124.44 2k89 s VAL 57 Ca 0.56 0.22 -0.20 0.00 0.00 0.00 0.00 61.98 62.55 2k89 s VAL 57 Cb -0.43 -3.53 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2k89 s VAL 57 CO 0.50 0.30 0.62 -0.22 0.00 0.00 0.00 175.10 176.31 2k89 s LEU 58 N 1.33 4.39 -0.16 3.92 2.96 -1.26 -0.91 118.68 128.95 2k89 s LEU 58 Ca 0.08 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 53.88 2k89 s LEU 58 Cb -0.14 -2.73 0.01 0.00 0.50 0.00 0.00 46.19 43.83 2k89 s LEU 58 CO 0.07 -0.67 -0.20 -0.72 -1.32 0.00 0.00 176.35 173.51 2k89 s TYR 59 N 2.71 2.74 0.00 5.38 1.13 0.75 -4.73 117.35 125.33 2k89 s TYR 59 Ca 0.23 -1.49 0.00 0.00 -1.41 0.00 0.00 57.07 54.40 2k89 s TYR 59 Cb -0.14 -1.88 0.00 0.00 -1.10 0.00 0.00 41.96 38.84 2k89 s TYR 59 CO 0.17 -0.71 0.00 0.39 -2.51 0.00 0.00 175.55 172.88 2k89 n GLU 60 N 4.37 -1.56 0.00 -3.49 -0.58 -1.26 -0.54 120.64 117.58 2k89 n GLU 60 Ca -0.20 0.39 0.00 0.00 -0.42 0.00 0.00 57.16 56.93 2k89 n GLU 60 Cb 0.51 -4.86 0.00 0.00 -0.57 0.00 0.00 31.44 26.52 2k89 n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k89 n GLY 61 N 0.33 1.12 3.41 0.62 0.00 -1.26 -5.11 105.19 104.31 2k89 n GLY 61 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 2k89 n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k89 s LYS 62 N -0.54 1.74 -0.19 1.61 2.20 0.30 -5.12 119.74 119.74 2k89 s LYS 62 Ca 0.00 -1.17 -0.06 0.00 -0.36 0.00 0.00 55.97 54.39 2k89 s LYS 62 Cb 0.00 -2.03 -0.03 0.00 -1.51 0.00 0.00 37.83 34.26 2k89 s LYS 62 CO 0.00 0.49 0.02 -1.21 -0.36 0.00 0.00 175.35 174.29 2k89 s GLU 63 N -1.71 3.76 0.24 4.03 2.02 -1.26 -0.18 118.70 125.59 2k89 s GLU 63 Ca 0.14 -0.45 0.05 0.00 0.02 0.00 0.00 54.97 54.72 2k89 s GLU 63 Cb -0.10 -3.11 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 2k89 s GLU 63 CO 0.06 0.14 -0.03 -0.06 0.02 0.00 0.00 175.26 175.39 2k89 s PHE 64 N 0.69 1.65 0.01 1.61 0.08 -0.09 -4.91 117.98 117.02 2k89 s PHE 64 Ca 0.01 -0.84 -0.08 0.00 0.12 0.00 0.00 56.93 56.13 2k89 s PHE 64 Cb -0.14 -0.94 -0.04 0.00 -0.57 0.00 0.00 43.02 41.33 2k89 s PHE 64 CO 0.02 0.06 1.12 -0.44 -0.10 0.00 0.00 175.22 175.89 2k89 h ASP 65 N 2.44 -0.26 -3.25 1.36 5.19 -1.79 0.91 116.42 121.02 2k89 h ASP 65 Ca -0.39 0.01 -0.48 0.00 -0.62 0.00 0.00 57.03 55.56 2k89 h ASP 65 Cb 1.22 0.07 -0.39 0.00 0.18 0.00 0.00 39.33 40.42 2k89 h ASP 65 CO 0.65 -0.18 -0.77 -0.31 -3.12 0.00 0.00 179.24 175.51 2k89 s TYR 66 N -3.65 0.93 -0.10 4.55 2.02 0.09 -3.47 117.35 117.72 2k89 s TYR 66 Ca -0.04 -0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 56.14 2k89 s TYR 66 Cb 0.01 -0.95 -0.03 0.00 -0.40 0.00 0.00 41.96 40.58 2k89 s TYR 66 CO 0.13 -0.45 0.01 0.14 -1.57 0.00 0.00 175.55 173.81 2k89 s VAL 67 N 1.89 4.41 0.28 0.71 -7.23 -1.25 -1.00 120.40 118.21 2k89 s VAL 67 Ca 0.03 -0.20 -0.01 0.00 -1.81 0.00 0.00 61.98 59.98 2k89 s VAL 67 Cb -0.14 -2.88 -0.04 0.00 0.56 0.00 0.00 36.38 33.88 2k89 s VAL 67 CO -0.07 0.59 0.49 0.12 -0.31 0.00 0.00 175.10 175.93 2k89 s PHE 68 N -0.72 3.49 -0.29 2.82 5.36 0.42 -4.76 117.98 124.29 2k89 s PHE 68 Ca 0.11 0.43 -0.13 0.00 -0.96 0.00 0.00 56.93 56.39 2k89 s PHE 68 Cb -0.12 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 2k89 s PHE 68 CO 0.02 0.23 0.26 -1.12 -1.46 0.00 0.00 175.22 173.15 2k89 s SER 69 N -3.47 6.10 -0.23 6.13 0.01 -1.26 0.12 113.70 121.11 2k89 s SER 69 Ca 0.41 -0.01 0.01 0.00 1.31 0.00 0.00 55.95 57.66 2k89 s SER 69 Cb -0.10 -2.15 0.04 0.00 0.21 0.00 0.00 66.02 64.01 2k89 s SER 69 CO 0.32 -0.14 -0.13 -0.63 0.41 0.00 0.00 173.24 173.07 2k89 s ILE 70 N 1.86 2.32 -0.16 1.44 1.01 0.98 -4.97 121.20 123.68 2k89 s ILE 70 Ca 0.09 -1.20 -0.06 0.00 0.00 0.00 0.00 60.65 59.48 2k89 s ILE 70 Cb -0.16 -2.17 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 2k89 s ILE 70 CO 0.11 0.25 0.06 1.51 0.00 0.00 0.00 174.94 176.87 2k89 s ASP 71 N 1.24 5.65 0.00 3.58 1.47 -1.26 0.04 116.67 127.38 2k89 s ASP 71 Ca -0.01 0.14 0.17 0.00 1.18 0.00 0.00 52.55 54.03 2k89 s ASP 71 Cb -0.16 -1.90 -0.09 0.00 -0.34 0.00 0.00 42.92 40.43 2k89 s ASP 71 CO -0.08 0.24 0.81 1.33 0.68 0.00 0.00 175.17 178.15 2k89 n VAL 72 N 3.10 0.00 -3.65 2.11 0.24 -1.26 -4.97 118.33 113.91 2k89 n VAL 72 Ca -0.17 -0.21 -0.01 0.00 -2.04 0.00 0.00 64.34 61.91 2k89 n VAL 72 Cb 0.53 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.94 2k89 n VAL 72 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 2k89 s ASN 73 N -2.30 -0.14 0.07 -1.34 2.47 -1.26 -4.99 114.94 107.45 2k89 s ASN 73 Ca 0.10 0.24 -0.31 0.00 0.42 0.00 0.00 52.86 53.32 2k89 s ASN 73 Cb 0.13 0.75 -0.08 0.00 -1.45 0.00 0.00 41.25 40.60 2k89 s ASN 73 CO 0.56 -0.04 1.68 -1.61 -3.72 0.00 0.00 177.10 173.97 2k89 s GLU 74 N 0.71 4.19 0.19 0.43 2.02 -1.26 -4.00 118.70 120.98 2k89 s GLU 74 Ca -0.03 2.36 0.00 0.00 0.02 0.00 0.00 54.97 57.32 2k89 s GLU 74 Cb -0.03 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.58 2k89 s GLU 74 CO -0.12 -0.75 0.00 0.41 0.02 0.00 0.00 175.26 174.82 2k89 n GLY 75 N 4.03 1.30 3.14 -1.39 0.00 -1.26 -4.87 105.19 106.14 2k89 n GLY 75 Ca 0.16 -0.55 -0.34 0.00 0.00 0.00 0.00 46.02 45.29 2k89 n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k89 s GLY 76 N 0.00 1.66 0.05 -0.02 0.00 -1.26 -1.84 107.32 105.92 2k89 s GLY 76 Ca 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 44.72 43.10 2k89 s GLY 76 CO 0.00 0.58 0.14 2.56 0.00 0.00 0.00 173.10 176.39 2k89 s PRO 77 N 1.23 3.19 -0.23 2.90 0.04 -1.26 -4.75 135.00 136.12 2k89 s PRO 77 Ca -0.04 -0.52 -0.11 0.00 0.04 0.00 0.00 61.00 60.37 2k89 s PRO 77 Cb -0.18 -2.91 -0.05 0.00 0.04 0.00 0.00 34.50 31.40 2k89 s PRO 77 CO -0.04 0.61 0.16 -1.12 0.04 0.00 0.00 177.00 176.65 2k89 s SER 78 N -2.31 6.14 0.28 6.66 0.01 -0.76 -4.08 113.70 119.64 2k89 s SER 78 Ca 0.31 0.14 0.07 0.00 1.31 0.00 0.00 55.95 57.78 2k89 s SER 78 Cb -0.13 -2.11 -0.03 0.00 0.21 0.00 0.00 66.02 63.96 2k89 s SER 78 CO 0.23 0.07 0.22 -0.31 0.41 0.00 0.00 173.24 173.86 2k89 s TYR 79 N 0.99 3.05 0.01 2.43 2.02 0.11 -4.97 117.35 120.97 2k89 s TYR 79 Ca 0.08 -0.17 0.02 0.00 -0.37 0.00 0.00 57.07 56.63 2k89 s TYR 79 Cb -0.13 -1.51 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 2k89 s TYR 79 CO 0.04 0.43 -0.06 0.15 -1.57 0.00 0.00 175.55 174.54 2k89 s LYS 80 N -3.88 0.45 -0.51 -0.62 -0.14 -1.26 -0.01 119.74 113.77 2k89 s LYS 80 Ca 0.35 -0.33 -0.03 0.00 -1.36 0.00 0.00 55.97 54.60 2k89 s LYS 80 Cb -0.07 -0.39 0.13 0.00 -1.68 0.00 0.00 37.83 35.83 2k89 s LYS 80 CO 0.25 0.10 0.31 -1.17 -0.76 0.00 0.00 175.35 174.08 2k89 s LEU 81 N -0.49 5.23 0.07 3.17 0.20 0.12 -4.85 118.68 122.12 2k89 s LEU 81 Ca -0.01 -2.42 -0.31 0.00 0.69 0.00 0.00 54.13 52.08 2k89 s LEU 81 Cb -0.04 -1.84 -0.07 0.00 -0.43 0.00 0.00 46.19 43.81 2k89 s LEU 81 CO -0.00 -0.46 1.43 -2.84 -0.29 0.00 0.00 176.35 174.19 2k89 s PRO 82 N 0.57 4.29 -0.04 0.98 0.02 -1.26 -0.44 135.00 139.12 2k89 s PRO 82 Ca 0.12 2.08 -0.00 0.00 0.02 0.00 0.00 61.00 63.22 2k89 s PRO 82 Cb -0.22 -3.40 0.03 0.00 0.02 0.00 0.00 34.50 30.92 2k89 s PRO 82 CO -0.04 -0.53 -0.01 -0.47 -0.33 0.00 0.00 177.00 175.63 2k89 s TYR 83 N 1.75 0.49 -0.20 6.54 5.04 -0.17 -4.90 117.35 125.90 2k89 s TYR 83 Ca 0.66 -0.07 -0.09 0.00 -2.44 0.00 0.00 57.07 55.12 2k89 s TYR 83 Cb -0.35 -0.58 -0.05 0.00 0.35 0.00 0.00 41.96 41.33 2k89 s TYR 83 CO 0.29 -0.20 0.12 0.54 -1.34 0.00 0.00 175.55 174.96 2k89 s ASN 84 N 1.33 6.09 0.04 4.32 4.22 -1.26 -0.73 114.94 128.94 2k89 s ASN 84 Ca -0.05 0.20 0.08 0.00 -2.14 0.00 0.00 52.86 50.95 2k89 s ASN 84 Cb -0.13 -2.06 0.37 0.00 1.28 0.00 0.00 41.25 40.70 2k89 s ASN 84 CO -0.02 0.18 1.26 0.35 -2.04 0.00 0.00 177.10 176.83 2k89 n THR 85 N 3.53 1.49 1.46 0.54 -2.24 -1.26 -0.50 114.28 117.31 2k89 n THR 85 Ca -0.16 0.41 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 2k89 n THR 85 Cb 0.52 -1.31 0.59 0.00 -2.10 0.00 0.00 70.33 68.03 2k89 n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k89 n SER 86 N -1.59 0.73 -4.85 3.42 3.41 -1.26 -4.92 113.62 108.56 2k89 n SER 86 Ca 0.01 -0.87 -0.21 0.00 -0.26 0.00 0.00 58.87 57.54 2k89 n SER 86 Cb 0.08 -0.01 -0.04 0.00 -0.26 0.00 0.00 64.21 63.98 2k89 n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k89 s ASP 87 N -2.33 5.35 0.27 4.04 2.15 0.35 -5.11 116.67 121.39 2k89 s ASP 87 Ca 0.32 -0.44 -0.12 0.00 0.43 0.00 0.00 52.55 52.74 2k89 s ASP 87 Cb 0.20 -1.06 -0.08 0.00 -0.30 0.00 0.00 42.92 41.69 2k89 s ASP 87 CO 0.44 -0.30 0.64 -1.81 -0.17 0.00 0.00 175.17 173.97 2k89 s ASP 88 N -3.97 6.69 0.06 -0.34 1.01 -1.26 -4.93 116.67 113.92 2k89 s ASP 88 Ca 0.40 1.08 -0.20 0.00 0.71 0.00 0.00 52.55 54.54 2k89 s ASP 88 Cb -0.06 -2.29 -0.09 0.00 1.01 0.00 0.00 42.92 41.49 2k89 s ASP 88 CO 0.26 -0.14 1.32 1.55 0.21 0.00 0.00 175.17 178.38 2k89 h PRO 89 N 2.39 -0.44 -0.54 8.23 0.13 -1.91 0.64 132.00 140.48 2k89 h PRO 89 Ca -0.47 0.03 0.07 0.00 -0.87 0.00 0.00 66.00 64.76 2k89 h PRO 89 Cb 1.17 0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2k89 h PRO 89 CO 0.67 -0.29 0.36 0.11 -0.23 0.00 0.00 178.00 178.62 2k89 h TRP 90 N -0.46 0.46 -0.05 1.56 0.09 -1.89 0.14 115.95 115.81 2k89 h TRP 90 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 58.89 58.94 2k89 h TRP 90 Cb 0.45 -0.15 0.00 0.00 0.08 0.00 0.00 29.16 29.54 2k89 h TRP 90 CO -0.36 0.24 -0.14 -0.07 0.09 0.00 0.00 178.44 178.20 2k89 h LEU 91 N 0.45 0.21 -0.56 0.11 3.38 -1.86 0.20 115.31 117.25 2k89 h LEU 91 Ca 0.24 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 57.58 2k89 h LEU 91 Cb 0.36 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 2k89 h LEU 91 CO -0.07 0.78 0.25 0.74 0.09 0.00 0.00 178.44 180.24 2k89 h THR 92 N -0.35 1.21 -0.46 0.22 2.02 -0.35 0.13 112.91 115.33 2k89 h THR 92 Ca -0.00 -0.61 -0.07 0.00 0.77 0.00 0.00 66.41 66.49 2k89 h THR 92 Cb 0.76 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 2k89 h THR 92 CO 0.03 0.24 -0.00 0.00 0.37 0.00 0.00 175.52 176.16 2k89 h ALA 93 N 1.09 0.62 -0.61 6.16 0.00 -0.75 -1.91 119.26 123.87 2k89 h ALA 93 Ca 0.19 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.75 2k89 h ALA 93 Cb 0.14 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k89 h ALA 93 CO -0.02 0.42 0.08 -0.92 0.00 0.00 0.00 179.25 178.81 2k89 h TYR 94 N 0.67 1.06 -0.28 0.00 5.03 -0.30 0.13 116.97 123.28 2k89 h TYR 94 Ca 0.13 -0.15 -0.01 0.00 2.58 0.00 0.00 58.73 61.29 2k89 h TYR 94 Cb 0.51 -0.29 -0.01 0.00 1.55 0.00 0.00 36.73 38.48 2k89 h TYR 94 CO 0.04 0.91 0.15 -0.91 -1.32 0.00 0.00 178.16 177.03 2k89 h ASN 95 N 0.94 0.36 -0.54 -2.11 2.35 -0.53 0.24 115.58 116.27 2k89 h ASN 95 Ca 0.19 -0.09 -0.11 0.00 -0.55 0.00 0.00 56.30 55.73 2k89 h ASN 95 Cb 0.44 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2k89 h ASN 95 CO 0.01 0.34 -0.11 0.15 -1.65 0.00 0.00 177.43 176.18 2k89 h PHE 96 N 0.34 1.15 -0.37 1.19 3.57 -1.15 0.16 116.94 121.84 2k89 h PHE 96 Ca 0.10 -0.24 0.01 0.00 3.53 0.00 0.00 57.97 61.37 2k89 h PHE 96 Cb 0.07 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 2k89 h PHE 96 CO -0.03 1.07 0.22 1.25 -2.23 0.00 0.00 178.31 178.59 2k89 h LEU 97 N 0.91 0.37 -0.54 0.59 5.85 -0.38 0.49 115.31 122.60 2k89 h LEU 97 Ca 0.14 0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.72 2k89 h LEU 97 Cb 0.68 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2k89 h LEU 97 CO 0.05 0.27 -0.36 1.56 -0.34 0.00 0.00 178.44 179.61 2k89 h GLN 98 N 0.46 0.79 -0.47 1.25 1.08 -0.47 0.61 115.11 118.35 2k89 h GLN 98 Ca 0.15 -0.39 -0.00 0.00 -1.45 0.00 0.00 58.65 56.95 2k89 h GLN 98 Cb -0.01 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 2k89 h GLN 98 CO -0.06 1.02 0.29 -0.22 -0.95 0.00 0.00 178.83 178.91 2k89 h LYS 99 N 0.65 0.64 -0.01 1.46 3.11 -0.05 -2.70 116.57 119.67 2k89 h LYS 99 Ca 0.06 -0.06 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 2k89 h LYS 99 Cb 0.91 -0.13 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2k89 h LYS 99 CO 0.08 0.46 -0.60 -1.71 -2.81 0.00 0.00 179.45 174.88 2k89 n ASN 100 N -4.72 1.47 -3.08 4.20 5.15 0.11 -4.97 115.26 113.41 2k89 n ASN 100 Ca 0.02 -1.18 -0.14 0.00 -0.60 0.00 0.00 54.58 52.68 2k89 n ASN 100 Cb 0.05 0.56 0.07 0.00 -0.53 0.00 0.00 39.78 39.93 2k89 n ASN 100 CO 0.00 0.00 0.00 -0.67 1.40 0.00 0.00 177.26 177.99 2k89 n ASP 101 N -0.65 -4.82 -3.99 1.20 2.03 0.33 -5.04 116.55 105.61 2k89 n ASP 101 Ca 0.08 -0.60 -0.23 0.00 0.52 0.00 0.00 54.79 54.56 2k89 n ASP 101 Cb 0.40 -4.65 0.14 0.00 -0.72 0.00 0.00 41.12 36.29 2k89 n ASP 101 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2k89 n LEU 102 N -3.26 0.00 -4.82 -2.67 7.99 0.19 -5.00 117.00 109.42 2k89 n LEU 102 Ca -0.12 -1.60 -0.38 0.00 -0.01 0.00 0.00 56.01 53.89 2k89 n LEU 102 Cb 0.62 -0.71 -0.06 0.00 -0.11 0.00 0.00 43.42 43.16 2k89 n LEU 102 CO 0.53 -1.11 0.19 0.21 -1.51 0.00 0.00 177.39 175.70 2k89 s ASN 103 N -4.89 6.94 0.04 -1.43 3.84 -1.26 -4.82 114.94 113.36 2k89 s ASN 103 Ca 0.62 1.12 0.02 0.00 0.21 0.00 0.00 52.86 54.83 2k89 s ASN 103 Cb -0.03 -2.31 0.13 0.00 -0.55 0.00 0.00 41.25 38.49 2k89 s ASN 103 CO 0.42 0.29 1.05 -2.65 -2.79 0.00 0.00 177.10 173.43 2k89 n PRO 104 N 1.81 0.02 0.29 0.43 -0.02 -1.26 -0.29 135.00 135.97 2k89 n PRO 104 Ca -0.12 0.50 0.18 0.00 -2.02 0.00 0.00 63.50 62.04 2k89 n PRO 104 Cb 0.51 -1.57 0.78 0.00 -0.02 0.00 0.00 33.50 33.20 2k89 n PRO 104 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 2k89 h MET 105 N 0.00 0.00 0.00 -0.52 1.85 -2.05 -3.01 114.93 111.21 2k89 h MET 105 Ca 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 59.70 59.01 2k89 h MET 105 Cb 0.04 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.06 2k89 h MET 105 CO 0.00 0.02 -1.20 1.19 -0.40 0.00 0.00 176.91 176.53 2k89 n PHE 106 N -3.14 0.97 -0.29 1.39 3.72 0.61 -4.22 117.46 116.51 2k89 n PHE 106 Ca -0.00 0.30 0.06 0.00 -0.05 0.00 0.00 57.45 57.76 2k89 n PHE 106 Cb 0.26 -1.02 0.20 0.00 -0.94 0.00 0.00 39.48 37.99 2k89 n PHE 106 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2k89 h LEU 107 N 0.00 0.52 -0.37 4.37 5.85 -1.64 -1.11 115.31 122.93 2k89 h LEU 107 Ca -0.07 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2k89 h LEU 107 Cb 1.26 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.28 2k89 h LEU 107 CO 0.02 0.24 0.06 0.44 -0.34 0.00 0.00 178.44 178.86 2k89 h ASP 108 N 0.63 0.59 -0.37 1.25 5.19 -1.76 -1.61 116.42 120.34 2k89 h ASP 108 Ca 0.44 -0.26 -0.08 0.00 -0.62 0.00 0.00 57.03 56.50 2k89 h ASP 108 Cb 0.58 -0.16 -0.01 0.00 0.18 0.00 0.00 39.33 39.92 2k89 h ASP 108 CO -0.34 0.71 -0.10 0.06 -3.12 0.00 0.00 179.24 176.45 2k89 h GLN 109 N 0.45 0.73 -0.23 3.56 3.07 -1.46 -1.67 115.11 119.55 2k89 h GLN 109 Ca 0.11 -0.28 -0.09 0.00 0.09 0.00 0.00 58.65 58.48 2k89 h GLN 109 Cb 0.37 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 27.88 2k89 h GLN 109 CO 0.01 0.88 -0.19 -0.39 0.09 0.00 0.00 178.83 179.22 2k89 h VAL 110 N 0.53 1.32 -0.63 1.86 -1.51 -1.30 -2.79 116.25 113.72 2k89 h VAL 110 Ca 0.09 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.18 2k89 h VAL 110 Cb 0.61 1.67 -0.03 0.00 -2.13 0.00 0.00 31.29 31.41 2k89 h VAL 110 CO 0.04 0.41 0.21 0.00 -1.23 0.00 0.00 177.57 177.00 2k89 h ALA 111 N 0.68 1.18 -0.49 5.19 0.00 -1.23 -0.21 119.26 124.37 2k89 h ALA 111 Ca 0.04 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2k89 h ALA 111 Cb 0.73 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2k89 h ALA 111 CO 0.05 0.58 -0.04 0.87 0.00 0.00 0.00 179.25 180.71 2k89 h LYS 112 N 0.93 0.85 -0.53 0.00 1.79 -1.28 0.16 116.57 118.48 2k89 h LYS 112 Ca 0.21 -0.25 -0.09 0.00 -2.18 0.00 0.00 60.65 58.33 2k89 h LYS 112 Cb 0.25 -0.09 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2k89 h LYS 112 CO -0.01 0.87 -0.02 0.35 -1.08 0.00 0.00 179.45 179.56 2k89 h PHE 113 N 0.78 1.05 -0.94 -1.35 3.04 -1.14 -0.95 116.94 117.44 2k89 h PHE 113 Ca 0.14 -0.19 0.05 0.00 3.98 0.00 0.00 57.97 61.95 2k89 h PHE 113 Cb 0.52 -0.27 -0.06 0.00 2.56 0.00 0.00 35.95 38.70 2k89 h PHE 113 CO 0.03 0.97 0.60 0.82 -2.02 0.00 0.00 178.31 178.71 2k89 h ILE 114 N 0.83 1.11 0.09 1.41 2.04 -0.47 -1.09 117.51 121.43 2k89 h ILE 114 Ca 0.15 -0.39 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 2k89 h ILE 114 Cb 0.57 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.52 2k89 h ILE 114 CO 0.03 0.21 -0.04 0.40 0.00 0.00 0.00 178.15 178.75 2k89 h ILE 115 N 1.13 1.05 -0.37 -0.67 2.04 -0.42 -3.29 117.51 116.97 2k89 h ILE 115 Ca 0.39 -0.48 -0.05 0.00 1.00 0.00 0.00 64.86 65.72 2k89 h ILE 115 Cb 0.10 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.52 2k89 h ILE 115 CO -0.15 0.12 0.00 0.44 0.00 0.00 0.00 178.15 178.56 2k89 h ASP 116 N -0.34 0.55 0.26 1.72 3.32 -0.66 0.76 116.42 122.03 2k89 h ASP 116 Ca -0.01 -0.11 -0.00 0.00 0.02 0.00 0.00 57.03 56.92 2k89 h ASP 116 Cb 0.29 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 2k89 h ASP 116 CO 0.02 0.62 -0.02 -0.55 -1.72 0.00 0.00 179.24 177.59 2k89 h ASN 117 N 0.56 0.00 -0.00 6.45 -1.07 -1.28 0.37 115.58 120.61 2k89 h ASN 117 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.49 2k89 h ASN 117 Cb 0.36 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.61 2k89 h ASN 117 CO 0.01 0.02 -0.57 0.35 0.07 0.00 0.00 177.43 177.32 2k89 n THR 118 N -3.28 0.00 0.00 6.14 -2.24 -0.25 -4.85 114.28 109.79 2k89 n THR 118 Ca -0.02 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 2k89 n THR 118 Cb 0.15 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 69.38 2k89 n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k89 n LYS 119 N -1.25 0.00 0.00 -0.78 4.81 0.25 -5.06 118.16 116.13 2k89 n LYS 119 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2k89 n LYS 119 Cb 0.19 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.24 2k89 n LYS 119 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2k89 n GLY 120 N 2.74 0.90 0.00 3.14 0.00 -0.01 -4.79 105.19 107.17 2k89 n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k89 n GLY 120 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k89 n GLN 121 N 0.00 0.59 0.25 1.61 6.02 -1.12 -4.70 117.38 120.02 2k89 n GLN 121 Ca 0.00 0.00 0.16 0.00 -0.01 0.00 0.00 57.00 57.15 2k89 n GLN 121 Cb 0.00 0.00 0.71 0.00 1.02 0.00 0.00 30.24 31.97 2k89 n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2k89 h MET 122 N 0.00 0.00 0.00 -1.09 -0.00 -1.96 -3.28 114.93 108.60 2k89 h MET 122 Ca 0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 2k89 h MET 122 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.58 2k89 h MET 122 CO 0.00 0.00 -1.25 -0.11 -0.00 0.00 0.00 176.91 175.55 2k89 n LEU 123 N -2.84 1.88 0.00 -0.10 7.94 -1.26 -5.04 117.00 117.58 2k89 n LEU 123 Ca 0.00 0.45 0.00 0.00 -1.11 0.00 0.00 56.01 55.36 2k89 n LEU 123 Cb 0.24 -0.87 0.00 0.00 0.53 0.00 0.00 43.42 43.32 2k89 n LEU 123 CO 0.23 0.01 0.00 0.61 -1.11 0.00 0.00 177.39 177.13 2k89 n GLY 124 N 1.46 4.08 3.25 -3.96 0.00 -1.24 -5.08 105.19 103.70 2k89 n GLY 124 Ca -0.26 -0.83 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 2k89 n GLY 124 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k89 s LEU 125 N 0.00 1.16 0.03 0.99 1.43 -1.26 -4.69 118.68 116.34 2k89 s LEU 125 Ca 0.00 -1.24 0.00 0.00 -1.03 0.00 0.00 54.13 51.86 2k89 s LEU 125 Cb 0.00 0.62 0.00 0.00 0.03 0.00 0.00 46.19 46.84 2k89 s LEU 125 CO 0.00 -0.86 0.00 0.61 0.23 0.00 0.00 176.35 176.33 2k89 n GLY 126 N -0.24 -0.56 3.61 -3.19 0.00 -1.26 -3.72 105.19 99.83 2k89 n GLY 126 Ca -0.01 0.10 -0.39 0.00 0.00 0.00 0.00 46.02 45.72 2k89 n GLY 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k89 s ASN 127 N -2.00 6.24 0.00 1.61 4.22 -1.26 -5.10 114.94 118.65 2k89 s ASN 127 Ca 0.00 0.27 0.09 0.00 -2.14 0.00 0.00 52.86 51.08 2k89 s ASN 127 Cb 0.00 -2.20 0.56 0.00 1.28 0.00 0.00 41.25 40.89 2k89 s ASN 127 CO 0.00 -0.15 1.01 -2.65 -2.04 0.00 0.00 177.10 173.27