#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 1.93 -1.52 0.00 5.15 -1.26 -4.76 115.26 114.80 2k89 n ASN 50 Ca 0.00 0.04 -0.02 0.00 -0.60 0.00 0.00 54.58 54.00 2k89 n ASN 50 Cb 0.00 -0.55 -0.01 0.00 -0.53 0.00 0.00 39.78 38.69 2k89 n ASN 50 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k89 n GLN 51 N -3.33 0.65 -0.97 1.20 1.13 -1.26 -4.83 117.38 109.97 2k89 n GLN 51 Ca -0.38 -0.28 0.00 0.00 -1.94 0.00 0.00 57.00 54.40 2k89 n GLN 51 Cb 1.03 0.17 0.00 0.00 0.11 0.00 0.00 30.24 31.55 2k89 n GLN 51 CO 0.00 0.00 0.00 0.94 -1.44 0.00 0.00 177.06 176.56 2k89 n GLN 52 N -0.07 -1.13 -1.56 -1.09 -0.06 -1.26 -4.88 117.38 107.33 2k89 n GLN 52 Ca -0.00 0.28 -0.41 0.00 -2.00 0.00 0.00 57.00 54.87 2k89 n GLN 52 Cb 0.05 -4.21 -0.01 0.00 -4.06 0.00 0.00 30.24 22.01 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 -2.34 3.47 -2.41 1.69 -2.24 -1.26 -4.92 114.28 106.28 2k89 n THR 53 Ca 0.00 -2.75 -0.43 0.00 -2.27 0.00 0.00 64.05 58.61 2k89 n THR 53 Cb 0.28 -2.57 -0.02 0.00 -2.10 0.00 0.00 70.33 65.92 2k89 n THR 53 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2k89 s SER 54 N 3.13 6.33 0.00 3.42 0.15 -1.26 -2.93 113.70 122.54 2k89 s SER 54 Ca 0.53 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.78 2k89 s SER 54 Cb 0.15 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2k89 s SER 54 CO -0.06 -1.48 0.00 0.61 1.20 0.00 0.00 173.24 173.50 2k89 n GLY 55 N 5.10 0.74 3.92 9.45 0.00 -1.26 -5.06 105.19 118.07 2k89 n GLY 55 Ca 0.15 -0.05 -0.27 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.53 2.15 -0.22 1.61 3.01 -1.15 -5.00 119.74 119.62 2k89 s LYS 56 Ca 0.00 -0.15 -0.08 0.00 -1.01 0.00 0.00 55.97 54.74 2k89 s LYS 56 Cb 0.00 -2.11 -0.04 0.00 -1.01 0.00 0.00 37.83 34.67 2k89 s LYS 56 CO 0.00 -1.32 0.08 0.08 0.51 0.00 0.00 175.35 174.70 2k89 s VAL 57 N -3.33 4.63 -0.09 3.17 1.01 0.79 -4.90 120.40 121.67 2k89 s VAL 57 Ca 0.60 -0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.32 2k89 s VAL 57 Cb -0.11 -3.13 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 2k89 s VAL 57 CO 0.46 0.38 0.49 -0.22 0.00 0.00 0.00 175.10 176.22 2k89 s LEU 58 N 1.07 4.31 -0.07 3.92 2.96 -1.26 -0.31 118.68 129.30 2k89 s LEU 58 Ca 0.05 0.88 -0.01 0.00 -0.22 0.00 0.00 54.13 54.82 2k89 s LEU 58 Cb -0.14 -2.73 0.03 0.00 0.50 0.00 0.00 46.19 43.85 2k89 s LEU 58 CO 0.03 0.03 0.01 -0.72 -1.32 0.00 0.00 176.35 174.38 2k89 s TYR 59 N 0.40 0.60 -1.40 5.38 1.13 0.12 -4.85 117.35 118.73 2k89 s TYR 59 Ca 0.27 -0.12 0.00 0.00 -1.41 0.00 0.00 57.07 55.81 2k89 s TYR 59 Cb -0.16 -0.76 0.00 0.00 -1.10 0.00 0.00 41.96 39.94 2k89 s TYR 59 CO 0.12 -0.31 0.00 0.39 -2.51 0.00 0.00 175.55 173.24 2k89 n GLU 60 N 5.15 -1.56 0.00 -3.49 1.02 -1.26 -0.77 120.64 119.73 2k89 n GLU 60 Ca -0.07 0.90 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2k89 n GLU 60 Cb 0.50 -5.21 0.00 0.00 -0.02 0.00 0.00 31.44 26.71 2k89 n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k89 n GLY 61 N -0.01 2.70 3.91 0.62 0.00 -1.26 -5.08 105.19 106.07 2k89 n GLY 61 Ca -0.13 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.52 3.60 -0.06 1.61 2.20 0.05 -5.07 119.74 121.55 2k89 s LYS 62 Ca 0.00 -0.11 0.04 0.00 -0.36 0.00 0.00 55.97 55.54 2k89 s LYS 62 Cb 0.00 -2.75 -0.02 0.00 -1.51 0.00 0.00 37.83 33.55 2k89 s LYS 62 CO 0.00 0.33 -0.18 -1.21 -0.36 0.00 0.00 175.35 173.93 2k89 s GLU 63 N -3.26 2.61 0.31 4.03 2.02 -1.26 0.12 118.70 123.27 2k89 s GLU 63 Ca 0.42 -0.76 0.03 0.00 0.02 0.00 0.00 54.97 54.67 2k89 s GLU 63 Cb -0.11 -2.33 -0.05 0.00 0.10 0.00 0.00 34.13 31.73 2k89 s GLU 63 CO 0.28 0.50 0.08 -0.06 0.02 0.00 0.00 175.26 176.08 2k89 s PHE 64 N -0.43 1.79 0.04 1.61 0.08 0.58 -4.93 117.98 116.72 2k89 s PHE 64 Ca 0.05 -1.08 -0.24 0.00 0.12 0.00 0.00 56.93 55.78 2k89 s PHE 64 Cb -0.12 -1.13 -0.13 0.00 -0.57 0.00 0.00 43.02 41.07 2k89 s PHE 64 CO 0.02 -0.16 1.35 -0.44 -0.10 0.00 0.00 175.22 175.89 2k89 h ASP 65 N 2.17 -0.72 -3.00 1.36 3.32 -1.75 0.22 116.42 118.02 2k89 h ASP 65 Ca -0.39 0.03 -0.34 0.00 0.02 0.00 0.00 57.03 56.34 2k89 h ASP 65 Cb 1.25 0.19 -0.37 0.00 0.22 0.00 0.00 39.33 40.61 2k89 h ASP 65 CO 0.65 -0.51 -0.67 -0.31 -1.72 0.00 0.00 179.24 176.67 2k89 s TYR 66 N -4.85 -0.08 -0.11 4.55 2.02 -0.16 -3.69 117.35 115.02 2k89 s TYR 66 Ca -0.12 0.29 -0.04 0.00 -0.37 0.00 0.00 57.07 56.82 2k89 s TYR 66 Cb 0.01 -0.40 -0.04 0.00 -0.40 0.00 0.00 41.96 41.13 2k89 s TYR 66 CO 0.37 -0.38 0.05 0.14 -1.57 0.00 0.00 175.55 174.17 2k89 s VAL 67 N 2.25 4.71 0.24 0.71 -7.23 -1.26 -1.17 120.40 118.65 2k89 s VAL 67 Ca 0.04 -0.09 -0.09 0.00 -1.81 0.00 0.00 61.98 60.03 2k89 s VAL 67 Cb -0.14 -3.02 -0.07 0.00 0.56 0.00 0.00 36.38 33.71 2k89 s VAL 67 CO -0.07 0.59 0.55 0.12 -0.31 0.00 0.00 175.10 175.98 2k89 s PHE 68 N -0.76 3.43 -0.31 2.82 5.36 0.56 -4.80 117.98 124.28 2k89 s PHE 68 Ca 0.12 0.85 -0.12 0.00 -0.96 0.00 0.00 56.93 56.83 2k89 s PHE 68 Cb -0.12 -2.25 -0.03 0.00 -0.34 0.00 0.00 43.02 40.28 2k89 s PHE 68 CO 0.03 0.26 0.21 0.45 -1.46 0.00 0.00 175.22 174.70 2k89 s SER 69 N -2.44 6.01 -0.34 6.13 0.15 -1.26 -0.03 113.70 121.92 2k89 s SER 69 Ca 0.47 -0.21 -0.05 0.00 0.70 0.00 0.00 55.95 56.86 2k89 s SER 69 Cb -0.11 -2.12 0.05 0.00 -1.71 0.00 0.00 66.02 62.13 2k89 s SER 69 CO 0.22 -0.13 0.10 -0.63 1.20 0.00 0.00 173.24 174.00 2k89 s ILE 70 N 1.74 3.57 -0.27 6.45 1.01 0.17 -4.99 121.20 128.88 2k89 s ILE 70 Ca 0.07 -1.30 -0.08 0.00 0.00 0.00 0.00 60.65 59.34 2k89 s ILE 70 Cb -0.17 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.20 2k89 s ILE 70 CO 0.11 -0.23 0.09 -1.81 0.00 0.00 0.00 174.94 173.09 2k89 s ASP 71 N 1.46 5.20 -0.20 3.58 1.11 -1.26 -0.17 116.67 126.39 2k89 s ASP 71 Ca -0.01 -0.35 0.01 0.00 0.18 0.00 0.00 52.55 52.38 2k89 s ASP 71 Cb -0.20 -1.93 -0.13 0.00 1.07 0.00 0.00 42.92 41.73 2k89 s ASP 71 CO 0.01 -0.09 -0.18 0.52 1.18 0.00 0.00 175.17 176.62 2k89 n VAL 72 N 4.93 1.13 -4.25 -1.27 0.31 -1.26 -4.98 118.33 112.92 2k89 n VAL 72 Ca -0.15 -0.43 -0.33 0.00 -0.01 0.00 0.00 64.34 63.42 2k89 n VAL 72 Cb 0.50 -1.22 -0.08 0.00 -0.91 0.00 0.00 33.84 32.13 2k89 n VAL 72 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2k89 s ASN 73 N -5.94 5.31 0.08 4.52 0.01 -1.26 -5.06 114.94 112.59 2k89 s ASN 73 Ca -0.27 0.07 -0.31 0.00 -0.71 0.00 0.00 52.86 51.65 2k89 s ASN 73 Cb 0.07 -1.45 -0.09 0.00 0.41 0.00 0.00 41.25 40.19 2k89 s ASN 73 CO 0.45 0.30 1.79 -1.61 -1.51 0.00 0.00 177.10 176.52 2k89 s GLU 74 N -1.43 4.16 0.34 -0.60 2.02 -1.26 -3.70 118.70 118.23 2k89 s GLU 74 Ca 0.19 2.49 0.00 0.00 0.02 0.00 0.00 54.97 57.66 2k89 s GLU 74 Cb -0.12 -3.73 0.00 0.00 0.10 0.00 0.00 34.13 30.38 2k89 s GLU 74 CO 0.09 -0.83 0.00 0.41 0.02 0.00 0.00 175.26 174.95 2k89 n GLY 75 N 4.21 2.22 3.38 -1.39 0.00 -1.26 -4.85 105.19 107.50 2k89 n GLY 75 Ca 0.17 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 0.54 0.34 -0.02 0.00 -1.24 -4.51 107.32 102.42 2k89 s GLY 76 Ca 0.00 -0.92 -0.16 0.00 0.00 0.00 0.00 44.72 43.64 2k89 s GLY 76 CO 0.00 -0.82 0.77 2.56 0.00 0.00 0.00 173.10 175.61 2k89 s PRO 77 N -3.99 4.03 0.01 2.90 0.04 -1.26 -4.65 135.00 132.09 2k89 s PRO 77 Ca 0.19 0.73 -0.18 0.00 0.04 0.00 0.00 61.00 61.78 2k89 s PRO 77 Cb 0.03 -2.39 -0.06 0.00 0.04 0.00 0.00 34.50 32.12 2k89 s PRO 77 CO 0.02 0.13 0.53 0.45 0.04 0.00 0.00 177.00 178.17 2k89 s SER 78 N -2.27 6.93 0.08 6.66 0.15 -1.26 -4.37 113.70 119.61 2k89 s SER 78 Ca 0.55 1.11 0.03 0.00 0.70 0.00 0.00 55.95 58.34 2k89 s SER 78 Cb -0.10 -2.33 -0.04 0.00 -1.71 0.00 0.00 66.02 61.84 2k89 s SER 78 CO 0.17 0.21 0.08 -0.31 1.20 0.00 0.00 173.24 174.58 2k89 s TYR 79 N -0.63 3.20 -0.01 3.44 1.51 0.76 -4.99 117.35 120.62 2k89 s TYR 79 Ca 0.28 0.08 0.02 0.00 -1.01 0.00 0.00 57.07 56.44 2k89 s TYR 79 Cb -0.18 -1.63 0.00 0.00 -0.11 0.00 0.00 41.96 40.05 2k89 s TYR 79 CO 0.16 0.52 -0.06 0.15 -1.11 0.00 0.00 175.55 175.21 2k89 s LYS 80 N -2.36 0.61 -0.56 -0.62 -0.14 -1.26 0.42 119.74 115.82 2k89 s LYS 80 Ca 0.29 -0.20 -0.03 0.00 -1.36 0.00 0.00 55.97 54.67 2k89 s LYS 80 Cb -0.12 -0.60 0.15 0.00 -1.68 0.00 0.00 37.83 35.57 2k89 s LYS 80 CO 0.22 0.08 0.37 -1.17 -0.76 0.00 0.00 175.35 174.09 2k89 s LEU 81 N 0.13 5.26 0.13 3.17 0.20 0.96 -4.89 118.68 123.63 2k89 s LEU 81 Ca -0.01 -2.59 -0.31 0.00 0.69 0.00 0.00 54.13 51.91 2k89 s LEU 81 Cb -0.06 -1.85 -0.08 0.00 -0.43 0.00 0.00 46.19 43.77 2k89 s LEU 81 CO -0.00 -0.43 1.42 -2.84 -0.29 0.00 0.00 176.35 174.21 2k89 s PRO 82 N 0.33 4.30 -0.04 0.98 0.02 -1.26 -0.32 135.00 139.00 2k89 s PRO 82 Ca 0.14 2.14 0.01 0.00 0.02 0.00 0.00 61.00 63.31 2k89 s PRO 82 Cb -0.21 -3.22 0.02 0.00 0.02 0.00 0.00 34.50 31.11 2k89 s PRO 82 CO -0.04 -0.46 -0.05 -0.47 -0.33 0.00 0.00 177.00 175.66 2k89 s TYR 83 N 1.03 0.73 -0.19 6.54 5.04 -0.31 -4.92 117.35 125.27 2k89 s TYR 83 Ca 0.65 -0.20 -0.07 0.00 -2.44 0.00 0.00 57.07 55.01 2k89 s TYR 83 Cb -0.38 -0.64 -0.04 0.00 0.35 0.00 0.00 41.96 41.25 2k89 s TYR 83 CO 0.31 -0.17 0.06 0.54 -1.34 0.00 0.00 175.55 174.95 2k89 s ASN 84 N 0.81 5.50 0.09 4.32 4.22 -1.26 -0.99 114.94 127.62 2k89 s ASN 84 Ca -0.11 0.02 0.10 0.00 -2.14 0.00 0.00 52.86 50.73 2k89 s ASN 84 Cb -0.14 -1.95 0.47 0.00 1.28 0.00 0.00 41.25 40.92 2k89 s ASN 84 CO 0.00 0.14 1.30 0.35 -2.04 0.00 0.00 177.10 176.86 2k89 n THR 85 N 3.74 1.48 0.94 0.54 -2.24 -1.26 -0.64 114.28 116.83 2k89 n THR 85 Ca -0.16 0.47 0.13 0.00 -2.27 0.00 0.00 64.05 62.21 2k89 n THR 85 Cb 0.52 -1.41 0.40 0.00 -2.10 0.00 0.00 70.33 67.74 2k89 n THR 85 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k89 n SER 86 N -1.73 0.34 -4.94 3.42 2.88 -1.26 -4.92 113.62 107.41 2k89 n SER 86 Ca 0.01 0.14 -0.20 0.00 -1.33 0.00 0.00 58.87 57.48 2k89 n SER 86 Cb 0.06 -0.12 -0.02 0.00 -0.75 0.00 0.00 64.21 63.38 2k89 n SER 86 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k89 s ASP 87 N -3.21 5.94 0.19 -3.46 2.15 0.18 -5.09 116.67 113.37 2k89 s ASP 87 Ca 0.12 -0.15 -0.26 0.00 0.43 0.00 0.00 52.55 52.69 2k89 s ASP 87 Cb 0.17 -1.45 -0.08 0.00 -0.30 0.00 0.00 42.92 41.26 2k89 s ASP 87 CO 0.63 -0.23 0.81 -1.81 -0.17 0.00 0.00 175.17 174.40 2k89 s ASP 88 N -4.03 7.41 0.19 -0.34 1.11 -1.26 -4.94 116.67 114.80 2k89 s ASP 88 Ca 0.39 1.69 -0.09 0.00 0.18 0.00 0.00 52.55 54.72 2k89 s ASP 88 Cb -0.09 -2.52 0.10 0.00 1.07 0.00 0.00 42.92 41.48 2k89 s ASP 88 CO 0.29 0.17 1.70 -0.65 1.18 0.00 0.00 175.17 177.86 2k89 h PRO 89 N 4.15 1.09 0.00 8.23 0.11 -1.93 0.21 132.00 143.86 2k89 h PRO 89 Ca -0.47 -0.28 -0.09 0.00 0.11 0.00 0.00 66.00 65.28 2k89 h PRO 89 Cb 1.20 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2k89 h PRO 89 CO 0.66 0.98 -0.43 -1.49 -0.21 0.00 0.00 178.00 177.52 2k89 h TRP 90 N 1.02 0.00 -0.06 0.65 6.55 -1.90 0.29 115.95 122.49 2k89 h TRP 90 Ca 0.21 0.00 -0.07 0.00 0.95 0.00 0.00 58.89 59.98 2k89 h TRP 90 Cb 0.40 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.70 2k89 h TRP 90 CO 0.03 0.43 -0.23 -0.07 -1.05 0.00 0.00 178.44 177.55 2k89 h LEU 91 N 0.00 0.30 -0.11 -4.49 3.38 -1.72 -0.70 115.31 111.97 2k89 h LEU 91 Ca -0.00 -0.63 -0.00 0.00 0.09 0.00 0.00 57.88 57.33 2k89 h LEU 91 Cb 0.77 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k89 h LEU 91 CO 0.06 0.89 0.07 0.74 0.09 0.00 0.00 178.44 180.28 2k89 h THR 92 N -0.26 1.06 -0.82 0.22 2.02 -0.41 0.15 112.91 114.87 2k89 h THR 92 Ca -0.01 -0.15 -0.04 0.00 0.77 0.00 0.00 66.41 66.98 2k89 h THR 92 Cb 0.87 0.96 -0.04 0.00 -1.74 0.00 0.00 68.15 68.20 2k89 h THR 92 CO 0.05 0.05 0.36 0.00 0.37 0.00 0.00 175.52 176.36 2k89 h ALA 93 N 1.00 1.10 -0.65 6.16 0.00 -0.51 -1.23 119.26 125.13 2k89 h ALA 93 Ca 0.04 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 2k89 h ALA 93 Cb 0.03 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 2k89 h ALA 93 CO -0.01 0.66 0.11 -0.92 0.00 0.00 0.00 179.25 179.09 2k89 h TYR 94 N 1.17 1.14 -0.33 0.00 5.03 -0.76 0.15 116.97 123.38 2k89 h TYR 94 Ca 0.28 -0.16 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2k89 h TYR 94 Cb 0.16 -0.31 -0.02 0.00 1.55 0.00 0.00 36.73 38.11 2k89 h TYR 94 CO 0.02 0.96 0.19 -0.91 -1.32 0.00 0.00 178.16 177.10 2k89 h ASN 95 N 1.00 0.40 -0.57 -2.11 -0.26 -0.19 0.20 115.58 114.05 2k89 h ASN 95 Ca 0.20 -0.07 -0.10 0.00 -0.56 0.00 0.00 56.30 55.77 2k89 h ASN 95 Cb 0.43 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.57 2k89 h ASN 95 CO 0.01 0.35 -0.03 0.15 -1.06 0.00 0.00 177.43 176.86 2k89 h PHE 96 N 0.42 1.14 -0.24 1.19 3.57 -1.07 0.16 116.94 122.11 2k89 h PHE 96 Ca 0.12 -0.20 0.00 0.00 3.53 0.00 0.00 57.97 61.41 2k89 h PHE 96 Cb 0.03 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 2k89 h PHE 96 CO -0.03 1.02 0.15 1.25 -2.23 0.00 0.00 178.31 178.46 2k89 h LEU 97 N 0.94 0.28 -0.52 0.59 5.85 -0.27 0.21 115.31 122.39 2k89 h LEU 97 Ca 0.16 -0.02 -0.15 0.00 0.84 0.00 0.00 57.88 58.71 2k89 h LEU 97 Cb 0.58 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2k89 h LEU 97 CO 0.03 0.22 -0.46 0.06 -0.34 0.00 0.00 178.44 177.95 2k89 h GLN 98 N 0.32 0.69 -0.34 1.25 3.07 -0.54 0.78 115.11 120.32 2k89 h GLN 98 Ca 0.09 -0.39 -0.05 0.00 0.09 0.00 0.00 58.65 58.40 2k89 h GLN 98 Cb -0.02 0.03 -0.01 0.00 0.08 0.00 0.00 27.48 27.55 2k89 h GLN 98 CO -0.02 1.00 0.04 -0.22 0.09 0.00 0.00 178.83 179.72 2k89 h LYS 99 N 0.55 0.58 -0.01 0.06 3.11 -0.24 -2.86 116.57 117.76 2k89 h LYS 99 Ca 0.03 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.71 2k89 h LYS 99 Cb 1.01 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.17 2k89 h LYS 99 CO 0.09 0.67 -0.43 -1.71 -2.81 0.00 0.00 179.45 175.27 2k89 n ASN 100 N -4.56 1.35 -2.38 4.20 5.15 0.69 -4.97 115.26 114.74 2k89 n ASN 100 Ca -0.02 -1.07 -0.10 0.00 -0.60 0.00 0.00 54.58 52.80 2k89 n ASN 100 Cb 0.24 0.35 0.05 0.00 -0.53 0.00 0.00 39.78 39.89 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 -0.57 -2.20 -4.96 1.20 2.03 0.18 -5.04 116.55 107.18 2k89 n ASP 101 Ca 0.10 -0.35 -0.22 0.00 0.52 0.00 0.00 54.79 54.83 2k89 n ASP 101 Cb 0.39 -3.12 0.03 0.00 -0.72 0.00 0.00 41.12 37.70 2k89 n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k89 s LEU 102 N -4.45 3.43 0.25 -2.67 2.01 0.25 -5.00 118.68 112.50 2k89 s LEU 102 Ca 0.02 0.14 -0.30 0.00 0.01 0.00 0.00 54.13 54.00 2k89 s LEU 102 Cb -0.00 -3.01 -0.09 0.00 0.01 0.00 0.00 46.19 43.09 2k89 s LEU 102 CO 0.41 -0.96 1.00 0.21 1.01 0.00 0.00 176.35 178.02 2k89 s ASN 103 N -4.33 7.52 0.23 2.29 3.84 -1.26 -4.69 114.94 118.54 2k89 s ASN 103 Ca 0.53 2.06 0.14 0.00 0.21 0.00 0.00 52.86 55.81 2k89 s ASN 103 Cb -0.10 -2.62 0.78 0.00 -0.55 0.00 0.00 41.25 38.76 2k89 s ASN 103 CO 0.38 0.05 1.41 -2.65 -2.79 0.00 0.00 177.10 173.51 2k89 n PRO 104 N 1.39 0.09 0.26 0.43 -0.02 -1.26 -0.58 135.00 135.31 2k89 n PRO 104 Ca -0.02 0.58 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2k89 n PRO 104 Cb 0.46 -1.86 0.70 0.00 -0.02 0.00 0.00 33.50 32.78 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 -2.04 -2.75 114.93 111.47 2k89 h MET 105 Ca 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2k89 h MET 105 Cb 0.11 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.14 2k89 h MET 105 CO 0.00 0.10 -0.38 0.74 -0.40 0.00 0.00 176.91 176.98 2k89 h PHE 106 N 0.00 0.00 -0.47 1.39 0.04 -1.23 -3.37 116.94 113.30 2k89 h PHE 106 Ca -0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2k89 h PHE 106 Cb 0.23 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.32 2k89 h PHE 106 CO 0.00 0.00 0.09 1.25 -0.60 0.00 0.00 178.31 179.05 2k89 h LEU 107 N 0.00 -0.01 -0.49 1.54 5.85 -1.63 -1.90 115.31 118.67 2k89 h LEU 107 Ca 0.00 0.08 -0.03 0.00 0.84 0.00 0.00 57.88 58.77 2k89 h LEU 107 Cb 0.92 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.05 2k89 h LEU 107 CO 0.00 0.03 0.17 -0.78 -0.34 0.00 0.00 178.44 177.52 2k89 h ASP 108 N 0.22 0.70 -0.14 1.25 3.58 -1.77 -0.43 116.42 119.83 2k89 h ASP 108 Ca 0.23 -0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2k89 h ASP 108 Cb 0.31 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.17 2k89 h ASP 108 CO -0.31 0.70 0.08 -0.61 -2.88 0.00 0.00 179.24 176.22 2k89 h GLN 109 N 0.66 0.18 -0.24 0.28 4.15 -1.60 0.18 115.11 118.71 2k89 h GLN 109 Ca 0.16 -0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.50 2k89 h GLN 109 Cb 0.24 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 2k89 h GLN 109 CO -0.01 0.15 -0.12 -0.39 -1.93 0.00 0.00 178.83 176.53 2k89 h VAL 110 N 0.16 1.30 -0.55 2.39 -1.51 -1.31 -2.75 116.25 113.98 2k89 h VAL 110 Ca 0.05 -1.19 -0.07 0.00 -1.23 0.00 0.00 66.70 64.26 2k89 h VAL 110 Cb 0.01 1.56 -0.02 0.00 -2.13 0.00 0.00 31.29 30.71 2k89 h VAL 110 CO -0.01 0.37 0.07 0.00 -1.23 0.00 0.00 177.57 176.77 2k89 h ALA 111 N 0.72 1.07 -0.30 5.19 0.00 -0.88 -0.02 119.26 125.05 2k89 h ALA 111 Ca 0.05 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 2k89 h ALA 111 Cb 0.62 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k89 h ALA 111 CO 0.04 0.59 -0.13 0.87 0.00 0.00 0.00 179.25 180.62 2k89 h LYS 112 N 0.85 0.51 -0.34 0.00 1.79 -0.63 0.32 116.57 119.07 2k89 h LYS 112 Ca 0.17 -0.15 -0.17 0.00 -2.18 0.00 0.00 60.65 58.32 2k89 h LYS 112 Cb 0.41 -0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 2k89 h LYS 112 CO 0.01 0.64 -0.45 0.35 -1.08 0.00 0.00 179.45 178.92 2k89 h PHE 113 N 0.47 1.11 -0.65 -1.35 3.04 -1.11 -1.70 116.94 116.75 2k89 h PHE 113 Ca 0.09 -0.36 0.04 0.00 3.98 0.00 0.00 57.97 61.72 2k89 h PHE 113 Cb 0.51 -0.22 -0.05 0.00 2.56 0.00 0.00 35.95 38.75 2k89 h PHE 113 CO 0.02 1.19 0.38 0.82 -2.02 0.00 0.00 178.31 178.70 2k89 h ILE 114 N 0.72 1.02 -0.05 1.41 2.04 -0.46 -2.43 117.51 119.75 2k89 h ILE 114 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2k89 h ILE 114 Cb 1.05 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 2k89 h ILE 114 CO 0.11 0.13 0.02 0.40 0.00 0.00 0.00 178.15 178.80 2k89 h ILE 115 N 0.72 0.99 -0.80 -0.67 2.04 -0.21 -2.69 117.51 116.89 2k89 h ILE 115 Ca 0.28 -0.01 0.12 0.00 1.00 0.00 0.00 64.86 66.24 2k89 h ILE 115 Cb 0.11 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.07 2k89 h ILE 115 CO -0.15 0.01 0.52 0.44 0.00 0.00 0.00 178.15 178.97 2k89 h ASP 116 N 0.04 0.59 -0.95 1.72 3.32 -0.94 1.07 116.42 121.27 2k89 h ASP 116 Ca 0.02 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.10 2k89 h ASP 116 Cb 0.01 -0.10 -0.05 0.00 0.22 0.00 0.00 39.33 39.42 2k89 h ASP 116 CO -0.02 0.33 0.60 -1.13 -1.72 0.00 0.00 179.24 177.29 2k89 h ASN 117 N 0.64 1.13 0.00 6.45 -1.24 -1.10 -0.67 115.58 120.79 2k89 h ASN 117 Ca 0.38 -0.05 -0.23 0.00 0.71 0.00 0.00 56.30 57.11 2k89 h ASN 117 Cb 0.60 -0.28 -0.04 0.00 0.73 0.00 0.00 38.32 39.33 2k89 h ASN 117 CO -0.15 0.84 -2.19 0.35 -1.29 0.00 0.00 177.43 174.99 2k89 n THR 118 N -4.37 0.85 0.24 -3.57 -2.24 -0.51 -4.49 114.28 100.19 2k89 n THR 118 Ca 0.11 -0.70 -0.09 0.00 -2.27 0.00 0.00 64.05 61.10 2k89 n THR 118 Cb 0.04 -0.30 -0.04 0.00 -2.10 0.00 0.00 70.33 67.92 2k89 n THR 118 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2k89 h LYS 119 N 0.00 -0.59 0.00 -0.78 3.64 0.12 -3.46 116.57 115.51 2k89 h LYS 119 Ca -0.34 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.08 2k89 h LYS 119 Cb 1.75 0.13 0.00 0.00 -0.41 0.00 0.00 32.23 33.70 2k89 h LYS 119 CO 0.02 -0.39 0.00 0.41 -2.27 0.00 0.00 179.45 177.22 2k89 n GLY 120 N -1.00 0.47 5.18 5.01 0.00 -0.30 -0.46 105.19 114.09 2k89 n GLY 120 Ca -0.08 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2k89 n GLY 120 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k89 n GLN 121 N 0.00 0.00 0.24 1.61 0.00 -0.94 -2.82 117.38 115.46 2k89 n GLN 121 Ca 0.00 0.00 0.14 0.00 -0.00 0.00 0.00 57.00 57.14 2k89 n GLN 121 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 30.24 30.62 2k89 n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k89 h MET 122 N 0.00 0.00 0.00 3.69 -0.00 -1.97 -3.41 114.93 113.24 2k89 h MET 122 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2k89 h MET 122 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.60 2k89 h MET 122 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.91 176.80 2k89 n LEU 123 N -3.04 0.00 0.00 -0.10 -0.00 -1.13 -5.13 117.00 107.60 2k89 n LEU 123 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.04 2k89 n LEU 123 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2k89 n LEU 123 CO 0.31 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.31 2k89 n GLY 124 N 3.94 0.50 5.61 -3.96 0.00 -1.25 -4.81 105.19 105.21 2k89 n GLY 124 Ca 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.35 2k89 n GLY 124 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k89 n LEU 125 N 0.00 0.00 -3.57 0.99 4.32 0.39 -4.82 117.00 114.31 2k89 n LEU 125 Ca 0.00 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.80 2k89 n LEU 125 Cb 0.00 0.00 0.06 0.00 -1.62 0.00 0.00 43.42 41.86 2k89 n LEU 125 CO 0.00 0.00 0.01 0.61 -1.22 0.00 0.00 177.39 176.79 2k89 n GLY 126 N 0.00 -0.36 2.65 -0.72 0.00 -1.26 -4.99 105.19 100.51 2k89 n GLY 126 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.93 2k89 n GLY 126 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k89 s ASN 127 N -4.32 2.53 0.00 1.61 3.04 -1.26 -5.18 114.94 111.36 2k89 s ASN 127 Ca 0.02 -1.06 0.29 0.00 0.04 0.00 0.00 52.86 52.16 2k89 s ASN 127 Cb -0.00 0.10 1.73 0.00 -1.54 0.00 0.00 41.25 41.53 2k89 s ASN 127 CO 0.78 -0.41 2.06 -2.65 -3.04 0.00 0.00 177.10 173.84