#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 -0.72 -2.16 0.00 6.94 -1.26 -1.31 115.26 116.75 2k89 n ASN 50 Ca 0.00 -0.57 -0.13 0.00 -0.02 0.00 0.00 54.58 53.86 2k89 n ASN 50 Cb 0.00 -0.73 -0.02 0.00 -2.36 0.00 0.00 39.78 36.67 2k89 n ASN 50 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2k89 n GLN 51 N -2.16 -1.95 -0.15 -3.83 6.02 -1.26 -4.84 117.38 109.21 2k89 n GLN 51 Ca 0.04 0.66 -0.12 0.00 -0.01 0.00 0.00 57.00 57.57 2k89 n GLN 51 Cb 0.21 -5.17 -0.01 0.00 1.02 0.00 0.00 30.24 26.30 2k89 n GLN 51 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 177.06 175.49 2k89 h GLN 52 N 0.00 0.96 -1.94 -1.09 3.07 -1.51 -3.24 115.11 111.35 2k89 h GLN 52 Ca -0.29 -0.41 -0.42 0.00 0.09 0.00 0.00 58.65 57.61 2k89 h GLN 52 Cb 1.12 -0.03 -0.15 0.00 0.08 0.00 0.00 27.48 28.50 2k89 h GLN 52 CO 0.37 1.08 0.26 0.25 0.09 0.00 0.00 178.83 180.88 2k89 n THR 53 N -4.15 3.19 -3.56 1.86 -2.24 -1.26 -4.75 114.28 103.38 2k89 n THR 53 Ca -0.00 -2.57 -0.22 0.00 -2.27 0.00 0.00 64.05 58.99 2k89 n THR 53 Cb 0.45 -1.63 0.05 0.00 -2.10 0.00 0.00 70.33 67.10 2k89 n THR 53 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k89 n SER 54 N 1.09 -3.53 0.00 3.42 7.64 -1.22 -2.59 113.62 118.43 2k89 n SER 54 Ca 0.45 -0.82 0.00 0.00 1.01 0.00 0.00 58.87 59.52 2k89 n SER 54 Cb 0.61 -4.31 0.00 0.00 -1.01 0.00 0.00 64.21 59.51 2k89 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2k89 n GLY 55 N -1.47 1.80 3.75 0.23 0.00 -1.24 -4.96 105.19 103.31 2k89 n GLY 55 Ca -0.20 -0.16 -0.36 0.00 0.00 0.00 0.00 46.02 45.30 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 0.00 2.99 -0.11 1.61 -0.14 -1.07 -4.53 119.74 118.49 2k89 s LYS 56 Ca 0.00 1.90 0.03 0.00 -1.36 0.00 0.00 55.97 56.53 2k89 s LYS 56 Cb 0.00 -1.98 0.01 0.00 -1.68 0.00 0.00 37.83 34.18 2k89 s LYS 56 CO 0.00 -1.21 -0.19 0.08 -0.76 0.00 0.00 175.35 173.27 2k89 s VAL 57 N -1.53 1.72 -0.41 3.17 1.01 0.20 -4.20 120.40 120.36 2k89 s VAL 57 Ca 0.77 -0.80 -0.21 0.00 0.00 0.00 0.00 61.98 61.74 2k89 s VAL 57 Cb -0.32 -1.53 0.02 0.00 0.00 0.00 0.00 36.38 34.54 2k89 s VAL 57 CO 0.35 0.49 0.66 -0.22 0.00 0.00 0.00 175.10 176.38 2k89 s LEU 58 N 0.72 4.39 -0.29 3.92 2.96 -1.26 -0.12 118.68 129.00 2k89 s LEU 58 Ca -0.11 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.58 2k89 s LEU 58 Cb -0.16 -2.78 0.01 0.00 0.50 0.00 0.00 46.19 43.76 2k89 s LEU 58 CO 0.02 -0.74 0.07 -0.72 -1.32 0.00 0.00 176.35 173.67 2k89 s TYR 59 N 2.85 3.14 0.00 5.38 1.13 0.13 -4.68 117.35 125.30 2k89 s TYR 59 Ca 0.24 -0.97 0.00 0.00 -1.41 0.00 0.00 57.07 54.93 2k89 s TYR 59 Cb -0.14 -2.25 0.00 0.00 -1.10 0.00 0.00 41.96 38.47 2k89 s TYR 59 CO 0.18 -0.57 0.00 0.39 -2.51 0.00 0.00 175.55 173.04 2k89 n GLU 60 N 4.86 0.00 0.00 -3.49 -0.58 -1.26 -1.15 120.64 119.02 2k89 n GLU 60 Ca -0.15 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.59 2k89 n GLU 60 Cb 0.48 -4.18 0.00 0.00 -0.57 0.00 0.00 31.44 27.17 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 -2.00 -0.30 3.40 0.62 0.00 -1.26 -5.14 105.19 100.50 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 0.00 1.65 -0.13 1.61 2.20 -0.30 -5.11 119.74 119.66 2k89 s LYS 62 Ca 0.00 -1.21 -0.07 0.00 -0.36 0.00 0.00 55.97 54.33 2k89 s LYS 62 Cb 0.00 -1.99 -0.04 0.00 -1.51 0.00 0.00 37.83 34.29 2k89 s LYS 62 CO 0.00 0.48 0.11 -1.21 -0.36 0.00 0.00 175.35 174.38 2k89 s GLU 63 N -1.75 3.51 0.25 4.03 2.02 -1.26 0.20 118.70 125.70 2k89 s GLU 63 Ca 0.14 -0.19 0.02 0.00 0.02 0.00 0.00 54.97 54.95 2k89 s GLU 63 Cb -0.10 -3.17 -0.03 0.00 0.10 0.00 0.00 34.13 30.93 2k89 s GLU 63 CO 0.05 0.68 0.21 -0.06 0.02 0.00 0.00 175.26 176.16 2k89 s PHE 64 N -0.74 1.35 0.00 1.61 0.08 0.84 -4.95 117.98 116.17 2k89 s PHE 64 Ca 0.13 -1.46 0.00 0.00 0.12 0.00 0.00 56.93 55.72 2k89 s PHE 64 Cb -0.12 -0.58 0.00 0.00 -0.57 0.00 0.00 43.02 41.75 2k89 s PHE 64 CO 0.03 -0.75 0.79 -0.25 -0.10 0.00 0.00 175.22 174.94 2k89 n ASP 65 N -0.78 0.00 -3.69 1.36 8.00 -1.23 0.58 116.55 120.78 2k89 n ASP 65 Ca 0.04 0.87 -0.23 0.00 0.71 0.00 0.00 54.79 56.18 2k89 n ASP 65 Cb 0.64 -0.46 -0.17 0.00 -0.02 0.00 0.00 41.12 41.11 2k89 n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k89 s TYR 66 N -2.50 0.39 0.05 1.24 2.02 -0.24 -2.96 117.35 115.35 2k89 s TYR 66 Ca 0.00 -0.14 0.05 0.00 -0.37 0.00 0.00 57.07 56.61 2k89 s TYR 66 Cb 0.00 -0.69 -0.04 0.00 -0.40 0.00 0.00 41.96 40.83 2k89 s TYR 66 CO 0.00 -0.36 -0.07 0.14 -1.57 0.00 0.00 175.55 173.69 2k89 s VAL 67 N 2.07 3.59 0.14 0.71 -7.23 -1.26 -0.63 120.40 117.79 2k89 s VAL 67 Ca 0.04 -0.96 -0.05 0.00 -1.81 0.00 0.00 61.98 59.20 2k89 s VAL 67 Cb -0.14 -2.62 -0.05 0.00 0.56 0.00 0.00 36.38 34.13 2k89 s VAL 67 CO -0.06 0.27 0.37 0.12 -0.31 0.00 0.00 175.10 175.49 2k89 s PHE 68 N -1.10 3.48 -0.28 2.82 5.36 0.38 -4.85 117.98 123.79 2k89 s PHE 68 Ca 0.19 0.54 -0.07 0.00 -0.96 0.00 0.00 56.93 56.63 2k89 s PHE 68 Cb -0.11 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.56 2k89 s PHE 68 CO 0.11 0.44 0.09 0.45 -1.46 0.00 0.00 175.22 174.85 2k89 s SER 69 N -2.42 5.18 -0.26 6.13 0.15 -1.26 0.14 113.70 121.35 2k89 s SER 69 Ca 0.41 -0.44 -0.05 0.00 0.70 0.00 0.00 55.95 56.56 2k89 s SER 69 Cb -0.12 -1.92 0.00 0.00 -1.71 0.00 0.00 66.02 62.27 2k89 s SER 69 CO 0.25 -0.12 0.02 -0.63 1.20 0.00 0.00 173.24 173.96 2k89 s ILE 70 N 1.57 3.68 -0.27 6.45 1.01 0.17 -4.97 121.20 128.84 2k89 s ILE 70 Ca 0.05 -0.61 -0.10 0.00 0.00 0.00 0.00 60.65 59.99 2k89 s ILE 70 Cb -0.16 -2.81 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2k89 s ILE 70 CO 0.03 0.23 0.15 -1.81 0.00 0.00 0.00 174.94 173.54 2k89 s ASP 71 N 1.48 5.68 0.10 3.58 1.11 -1.26 -0.90 116.67 126.46 2k89 s ASP 71 Ca 0.04 -0.12 0.23 0.00 0.18 0.00 0.00 52.55 52.87 2k89 s ASP 71 Cb -0.16 -2.04 -0.03 0.00 1.07 0.00 0.00 42.92 41.76 2k89 s ASP 71 CO -0.00 -0.06 0.94 1.33 1.18 0.00 0.00 175.17 178.56 2k89 n VAL 72 N 5.01 0.33 -3.70 -1.27 0.24 -1.26 -4.86 118.33 112.81 2k89 n VAL 72 Ca -0.15 -0.42 -0.12 0.00 -2.04 0.00 0.00 64.34 61.62 2k89 n VAL 72 Cb 0.52 -0.07 -0.12 0.00 -1.47 0.00 0.00 33.84 32.69 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 -4.64 -0.21 0.12 -1.34 3.04 -1.26 -5.08 114.94 105.58 2k89 s ASN 73 Ca -0.00 0.65 -0.31 0.00 0.04 0.00 0.00 52.86 53.23 2k89 s ASN 73 Cb 0.12 0.59 -0.10 0.00 -1.54 0.00 0.00 41.25 40.32 2k89 s ASN 73 CO 0.81 -0.19 1.86 -1.61 -3.04 0.00 0.00 177.10 174.93 2k89 s GLU 74 N 1.58 4.13 0.00 0.43 2.02 -1.26 -1.89 118.70 123.71 2k89 s GLU 74 Ca -0.07 2.62 0.00 0.00 0.02 0.00 0.00 54.97 57.54 2k89 s GLU 74 Cb -0.10 -3.64 0.00 0.00 0.10 0.00 0.00 34.13 30.48 2k89 s GLU 74 CO -0.10 -0.86 0.00 0.41 0.02 0.00 0.00 175.26 174.73 2k89 n GLY 75 N 4.28 2.65 0.00 -1.39 0.00 -1.26 -4.98 105.19 104.50 2k89 n GLY 75 Ca 0.18 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.70 2k89 n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k89 n GLY 76 N 0.00 3.16 3.90 -0.02 0.00 -0.79 -4.86 105.19 106.57 2k89 n GLY 76 Ca 0.00 -0.95 -0.29 0.00 0.00 0.00 0.00 46.02 44.78 2k89 n GLY 76 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k89 s PRO 77 N -2.07 2.68 -0.24 1.61 0.04 -1.26 -4.46 135.00 131.30 2k89 s PRO 77 Ca 0.00 0.27 -0.12 0.00 0.04 0.00 0.00 61.00 61.19 2k89 s PRO 77 Cb 0.00 -2.06 -0.05 0.00 0.04 0.00 0.00 34.50 32.43 2k89 s PRO 77 CO 0.00 -1.08 0.24 -1.54 0.04 0.00 0.00 177.00 174.66 2k89 s SER 78 N -4.40 6.19 0.15 6.66 1.04 -1.26 -4.40 113.70 117.68 2k89 s SER 78 Ca 0.58 0.21 0.04 0.00 0.48 0.00 0.00 55.95 57.26 2k89 s SER 78 Cb -0.11 -2.15 -0.04 0.00 0.10 0.00 0.00 66.02 63.83 2k89 s SER 78 CO 0.50 -0.01 0.14 -0.31 0.98 0.00 0.00 173.24 174.55 2k89 s TYR 79 N 1.30 3.20 -0.01 5.02 1.51 -0.08 -4.97 117.35 123.33 2k89 s TYR 79 Ca 0.11 0.01 0.01 0.00 -1.01 0.00 0.00 57.07 56.20 2k89 s TYR 79 Cb -0.14 -1.55 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 2k89 s TYR 79 CO 0.07 0.52 -0.04 0.15 -1.11 0.00 0.00 175.55 175.13 2k89 s LYS 80 N -3.01 0.39 -0.59 -0.62 -0.14 -1.26 0.45 119.74 114.95 2k89 s LYS 80 Ca 0.31 -0.15 -0.01 0.00 -1.36 0.00 0.00 55.97 54.76 2k89 s LYS 80 Cb -0.10 -0.38 0.15 0.00 -1.68 0.00 0.00 37.83 35.81 2k89 s LYS 80 CO 0.24 0.08 0.38 -1.17 -0.76 0.00 0.00 175.35 174.12 2k89 s LEU 81 N -0.00 5.03 0.35 3.17 0.20 0.12 -4.91 118.68 122.64 2k89 s LEU 81 Ca 0.01 -2.84 -0.28 0.00 0.69 0.00 0.00 54.13 51.70 2k89 s LEU 81 Cb -0.03 -1.80 -0.10 0.00 -0.43 0.00 0.00 46.19 43.83 2k89 s LEU 81 CO -0.00 -0.35 1.30 -2.84 -0.29 0.00 0.00 176.35 174.18 2k89 s PRO 82 N -0.05 4.25 -0.07 0.98 0.02 -1.26 -0.47 135.00 138.39 2k89 s PRO 82 Ca 0.16 2.19 -0.03 0.00 0.02 0.00 0.00 61.00 63.35 2k89 s PRO 82 Cb -0.21 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.37 2k89 s PRO 82 CO -0.03 -0.27 0.15 -0.47 -0.33 0.00 0.00 177.00 176.05 2k89 s TYR 83 N -1.18 -0.17 -0.18 6.54 5.04 0.20 -4.91 117.35 122.69 2k89 s TYR 83 Ca 0.51 0.53 -0.10 0.00 -2.44 0.00 0.00 57.07 55.58 2k89 s TYR 83 Cb -0.39 -0.15 -0.05 0.00 0.35 0.00 0.00 41.96 41.73 2k89 s TYR 83 CO 0.52 -0.20 0.15 -0.80 -1.34 0.00 0.00 175.55 173.87 2k89 s ASN 84 N 1.57 6.28 0.10 4.32 -0.87 -1.26 -1.07 114.94 124.00 2k89 s ASN 84 Ca -0.05 0.31 0.12 0.00 -1.57 0.00 0.00 52.86 51.67 2k89 s ASN 84 Cb -0.12 -2.09 0.54 0.00 -0.02 0.00 0.00 41.25 39.56 2k89 s ASN 84 CO -0.06 0.23 1.36 0.35 -2.57 0.00 0.00 177.10 176.41 2k89 n THR 85 N 3.16 1.37 1.42 1.60 -2.24 -1.26 -0.37 114.28 117.96 2k89 n THR 85 Ca -0.17 0.44 0.14 0.00 -2.27 0.00 0.00 64.05 62.20 2k89 n THR 85 Cb 0.53 -1.37 0.57 0.00 -2.10 0.00 0.00 70.33 67.96 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 -1.76 0.69 -4.94 3.42 2.88 -1.26 -4.92 113.62 107.73 2k89 n SER 86 Ca 0.01 -0.78 -0.20 0.00 -1.33 0.00 0.00 58.87 56.57 2k89 n SER 86 Cb 0.09 -0.01 -0.02 0.00 -0.75 0.00 0.00 64.21 63.52 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 -2.40 5.81 0.04 -3.46 2.15 0.50 -5.11 116.67 114.21 2k89 s ASP 87 Ca 0.30 -0.24 -0.10 0.00 0.43 0.00 0.00 52.55 52.93 2k89 s ASP 87 Cb 0.20 -1.25 -0.06 0.00 -0.30 0.00 0.00 42.92 41.51 2k89 s ASP 87 CO 0.46 -0.34 0.38 -1.81 -0.17 0.00 0.00 175.17 173.69 2k89 s ASP 88 N -4.08 6.65 0.09 -0.34 1.11 -1.26 -4.95 116.67 113.89 2k89 s ASP 88 Ca 0.42 0.79 -0.29 0.00 0.18 0.00 0.00 52.55 53.65 2k89 s ASP 88 Cb -0.08 -2.18 -0.12 0.00 1.07 0.00 0.00 42.92 41.61 2k89 s ASP 88 CO 0.29 0.23 1.47 1.55 1.18 0.00 0.00 175.17 179.89 2k89 h PRO 89 N 4.03 -0.56 -0.40 8.23 0.13 -1.94 0.16 132.00 141.64 2k89 h PRO 89 Ca -0.50 0.04 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2k89 h PRO 89 Cb 1.20 0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.44 2k89 h PRO 89 CO 0.65 -0.37 0.27 0.11 -0.23 0.00 0.00 178.00 178.42 2k89 h TRP 90 N -0.58 0.43 -0.09 1.56 0.09 -1.89 0.18 115.95 115.64 2k89 h TRP 90 Ca 0.01 0.01 -0.08 0.00 0.09 0.00 0.00 58.89 58.91 2k89 h TRP 90 Cb 0.62 -0.14 0.00 0.00 0.08 0.00 0.00 29.16 29.72 2k89 h TRP 90 CO -0.49 0.25 -0.28 -0.07 0.09 0.00 0.00 178.44 177.95 2k89 h LEU 91 N 0.45 0.39 -0.14 0.11 3.38 -1.74 0.20 115.31 117.97 2k89 h LEU 91 Ca 0.16 -0.61 -0.00 0.00 0.09 0.00 0.00 57.88 57.52 2k89 h LEU 91 Cb 0.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k89 h LEU 91 CO -0.04 0.94 0.07 0.74 0.09 0.00 0.00 178.44 180.24 2k89 h THR 92 N -0.13 1.10 -0.66 0.22 2.02 -0.20 -0.47 112.91 114.79 2k89 h THR 92 Ca -0.01 -0.28 -0.05 0.00 0.77 0.00 0.00 66.41 66.84 2k89 h THR 92 Cb 0.90 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 68.33 2k89 h THR 92 CO 0.06 0.09 0.20 0.00 0.37 0.00 0.00 175.52 176.24 2k89 h ALA 93 N 0.96 0.86 -0.62 6.16 0.00 -0.70 -2.35 119.26 123.57 2k89 h ALA 93 Ca 0.05 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2k89 h ALA 93 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 2k89 h ALA 93 CO -0.01 0.54 0.17 -0.92 0.00 0.00 0.00 179.25 179.03 2k89 h TYR 94 N 0.95 1.02 -0.32 0.00 5.03 -0.43 0.17 116.97 123.38 2k89 h TYR 94 Ca 0.21 -0.11 0.03 0.00 2.58 0.00 0.00 58.73 61.44 2k89 h TYR 94 Cb 0.30 -0.29 -0.03 0.00 1.55 0.00 0.00 36.73 38.26 2k89 h TYR 94 CO 0.02 0.85 0.15 -0.97 -1.32 0.00 0.00 178.16 176.89 2k89 h ASN 95 N 0.90 0.21 -0.39 -2.11 -0.73 -0.80 0.20 115.58 112.84 2k89 h ASN 95 Ca 0.20 0.02 -0.13 0.00 1.87 0.00 0.00 56.30 58.25 2k89 h ASN 95 Cb 0.32 -0.02 -0.01 0.00 0.27 0.00 0.00 38.32 38.89 2k89 h ASN 95 CO -0.00 0.16 -0.26 0.15 -0.37 0.00 0.00 177.43 177.10 2k89 h PHE 96 N 0.31 1.06 -0.13 0.67 3.57 -1.23 -1.03 116.94 120.16 2k89 h PHE 96 Ca 0.14 -0.27 -0.00 0.00 3.53 0.00 0.00 57.97 61.37 2k89 h PHE 96 Cb 0.07 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 2k89 h PHE 96 CO -0.11 1.07 0.08 1.25 -2.23 0.00 0.00 178.31 178.37 2k89 h LEU 97 N 0.78 0.16 -0.55 0.59 5.85 -0.04 0.16 115.31 122.26 2k89 h LEU 97 Ca 0.09 -0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.60 2k89 h LEU 97 Cb 0.83 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 2k89 h LEU 97 CO 0.07 0.18 -0.40 0.06 -0.34 0.00 0.00 178.44 178.01 2k89 h GLN 98 N 0.13 0.73 -0.26 1.25 3.07 -0.63 0.63 115.11 120.02 2k89 h GLN 98 Ca 0.05 -0.38 -0.05 0.00 0.09 0.00 0.00 58.65 58.36 2k89 h GLN 98 Cb 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 27.48 27.61 2k89 h GLN 98 CO -0.01 0.99 -0.02 -0.22 0.09 0.00 0.00 178.83 179.66 2k89 h LYS 99 N 0.60 0.48 -0.00 0.06 3.64 -0.91 -2.83 116.57 117.60 2k89 h LYS 99 Ca 0.05 -0.17 0.00 0.00 -1.27 0.00 0.00 60.65 59.26 2k89 h LYS 99 Cb 0.94 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.72 2k89 h LYS 99 CO 0.09 0.67 -0.21 -1.71 -2.27 0.00 0.00 179.45 176.01 2k89 n ASN 100 N -4.58 0.53 -2.05 4.20 2.85 0.53 -4.92 115.26 111.81 2k89 n ASN 100 Ca -0.03 -0.42 -0.09 0.00 -0.11 0.00 0.00 54.58 53.93 2k89 n ASN 100 Cb 0.27 -0.01 0.04 0.00 1.24 0.00 0.00 39.78 41.32 2k89 n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k89 n ASP 101 N -1.09 -2.93 -4.31 1.20 2.03 -0.41 -5.05 116.55 105.99 2k89 n ASP 101 Ca 0.11 -0.27 -0.27 0.00 0.52 0.00 0.00 54.79 54.88 2k89 n ASP 101 Cb 0.31 -2.64 0.16 0.00 -0.72 0.00 0.00 41.12 38.24 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 -4.00 2.85 -0.10 -2.67 2.01 0.21 -5.01 118.68 111.97 2k89 s LEU 102 Ca 0.12 -0.17 -0.09 0.00 0.01 0.00 0.00 54.13 54.00 2k89 s LEU 102 Cb -0.05 -1.92 -0.05 0.00 0.01 0.00 0.00 46.19 44.18 2k89 s LEU 102 CO 0.34 -2.44 0.21 0.21 1.01 0.00 0.00 176.35 175.68 2k89 s ASN 103 N -4.88 6.48 0.00 2.29 2.47 -1.26 -4.76 114.94 115.28 2k89 s ASN 103 Ca 0.72 0.58 0.00 0.00 0.42 0.00 0.00 52.86 54.58 2k89 s ASN 103 Cb -0.03 -2.12 0.00 0.00 -1.45 0.00 0.00 41.25 37.65 2k89 s ASN 103 CO 0.49 0.36 0.90 -2.65 -3.72 0.00 0.00 177.10 172.48 2k89 n PRO 104 N 2.13 0.00 0.27 0.43 -0.02 -1.26 -0.35 135.00 136.20 2k89 n PRO 104 Ca -0.18 0.41 0.16 0.00 -2.02 0.00 0.00 63.50 61.87 2k89 n PRO 104 Cb 0.54 -1.55 0.68 0.00 -0.02 0.00 0.00 33.50 33.14 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 4.05 -2.04 -2.92 114.93 113.51 2k89 h MET 105 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2k89 h MET 105 Cb 0.10 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2k89 h MET 105 CO 0.00 0.06 -0.67 0.74 0.23 0.00 0.00 176.91 177.27 2k89 h PHE 106 N 0.00 0.00 -0.61 1.39 0.04 -1.10 -3.38 116.94 113.28 2k89 h PHE 106 Ca -0.00 0.00 0.05 0.00 2.80 0.00 0.00 57.97 60.82 2k89 h PHE 106 Cb 0.51 0.00 -0.05 0.00 2.20 0.00 0.00 35.95 38.61 2k89 h PHE 106 CO 0.00 0.00 0.33 1.25 -0.60 0.00 0.00 178.31 179.29 2k89 h LEU 107 N 0.00 0.49 -0.56 1.54 5.85 -1.65 -2.02 115.31 118.96 2k89 h LEU 107 Ca 0.00 0.03 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2k89 h LEU 107 Cb 0.77 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 2k89 h LEU 107 CO 0.00 0.33 0.06 -0.78 -0.34 0.00 0.00 178.44 177.70 2k89 h ASP 108 N 0.63 0.93 -0.07 1.25 3.58 -1.77 -1.04 116.42 119.92 2k89 h ASP 108 Ca 0.27 -0.28 -0.00 0.00 0.42 0.00 0.00 57.03 57.44 2k89 h ASP 108 Cb 0.16 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 2k89 h ASP 108 CO -0.17 0.97 0.04 -0.61 -2.88 0.00 0.00 179.24 176.59 2k89 h GLN 109 N 0.85 0.09 -0.27 0.28 4.15 -1.63 -0.30 115.11 118.27 2k89 h GLN 109 Ca 0.17 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.46 2k89 h GLN 109 Cb 0.46 -0.02 -0.00 0.00 0.21 0.00 0.00 27.48 28.13 2k89 h GLN 109 CO 0.02 0.10 -0.29 -0.39 -1.93 0.00 0.00 178.83 176.34 2k89 h VAL 110 N 0.05 1.31 -0.72 2.39 -1.51 -1.35 -2.83 116.25 113.59 2k89 h VAL 110 Ca 0.02 -1.46 -0.03 0.00 -1.23 0.00 0.00 66.70 64.00 2k89 h VAL 110 Cb 0.03 1.64 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2k89 h VAL 110 CO -0.00 0.46 0.31 0.00 -1.23 0.00 0.00 177.57 177.11 2k89 h ALA 111 N 0.69 1.20 -0.48 5.19 0.00 -1.10 -0.99 119.26 123.77 2k89 h ALA 111 Ca 0.04 -0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 2k89 h ALA 111 Cb 0.86 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k89 h ALA 111 CO 0.07 0.59 0.26 0.87 0.00 0.00 0.00 179.25 181.04 2k89 h LYS 112 N 1.03 0.66 -0.85 0.00 6.56 -1.00 0.72 116.57 123.69 2k89 h LYS 112 Ca 0.24 -0.08 -0.02 0.00 -1.06 0.00 0.00 60.65 59.74 2k89 h LYS 112 Cb 0.15 -0.13 -0.04 0.00 -0.57 0.00 0.00 32.23 31.64 2k89 h LYS 112 CO -0.03 0.52 0.47 0.35 -2.06 0.00 0.00 179.45 178.70 2k89 h PHE 113 N 0.63 1.17 -0.46 -1.35 3.04 -1.21 -0.23 116.94 118.53 2k89 h PHE 113 Ca 0.17 -0.03 0.05 0.00 3.98 0.00 0.00 57.97 62.14 2k89 h PHE 113 Cb 0.05 -0.37 -0.04 0.00 2.56 0.00 0.00 35.95 38.15 2k89 h PHE 113 CO -0.02 0.81 0.21 0.82 -2.02 0.00 0.00 178.31 178.11 2k89 h ILE 114 N 1.19 0.92 -0.13 1.41 2.04 -0.62 -2.48 117.51 119.84 2k89 h ILE 114 Ca 0.30 -0.14 -0.00 0.00 1.00 0.00 0.00 64.86 66.01 2k89 h ILE 114 Cb 0.03 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.57 2k89 h ILE 114 CO -0.05 0.08 0.07 0.40 0.00 0.00 0.00 178.15 178.65 2k89 h ILE 115 N 0.42 1.09 -0.38 -0.67 2.04 -0.25 -3.02 117.51 116.74 2k89 h ILE 115 Ca 0.21 -0.25 0.03 0.00 1.00 0.00 0.00 64.86 65.85 2k89 h ILE 115 Cb 0.15 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 2k89 h ILE 115 CO -0.17 0.08 0.25 -0.78 0.00 0.00 0.00 178.15 177.54 2k89 h ASP 116 N 0.12 0.34 -0.42 1.72 3.58 -0.76 0.41 116.42 121.41 2k89 h ASP 116 Ca 0.05 -0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.58 2k89 h ASP 116 Cb 0.07 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.02 2k89 h ASP 116 CO -0.01 0.24 0.29 -1.13 -2.88 0.00 0.00 179.24 175.76 2k89 h ASN 117 N 0.40 0.14 -0.09 2.28 -1.24 -1.31 0.96 115.58 116.71 2k89 h ASN 117 Ca 0.15 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.17 2k89 h ASN 117 Cb 0.12 -0.03 0.00 0.00 0.73 0.00 0.00 38.32 39.14 2k89 h ASN 117 CO -0.04 0.09 0.00 0.35 -1.29 0.00 0.00 177.43 176.54 2k89 n THR 118 N -4.45 0.16 0.00 -3.57 -2.24 0.43 -4.40 114.28 100.21 2k89 n THR 118 Ca 0.06 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 2k89 n THR 118 Cb 0.39 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 69.80 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 0.85 0.00 0.00 -0.78 4.81 0.11 -4.89 118.16 118.26 2k89 n LYS 119 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.54 2k89 n LYS 119 Cb 0.39 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.44 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 2.86 0.77 1.51 3.14 0.00 0.10 -4.28 105.19 109.29 2k89 n GLY 120 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.41 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 0.00 0.05 1.61 6.02 -1.26 -4.82 117.38 118.98 2k89 n GLN 121 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.00 56.78 2k89 n GLN 121 Cb 0.00 -0.24 -0.12 0.00 1.02 0.00 0.00 30.24 30.90 2k89 n GLN 121 CO 0.00 0.00 0.00 1.98 -1.01 0.00 0.00 177.06 178.03 2k89 h MET 122 N 0.00 0.61 0.00 -1.09 4.05 -1.99 -3.47 114.93 113.04 2k89 h MET 122 Ca 0.00 -0.72 0.00 0.00 -0.28 0.00 0.00 59.70 58.70 2k89 h MET 122 Cb 0.48 0.22 0.00 0.00 -0.80 0.00 0.00 31.60 31.50 2k89 h MET 122 CO 0.00 1.31 0.00 -0.11 0.23 0.00 0.00 176.91 178.34 2k89 n LEU 123 N -3.91 0.00 0.00 3.39 7.94 -1.26 -5.16 117.00 118.00 2k89 n LEU 123 Ca -0.12 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.78 2k89 n LEU 123 Cb 0.88 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.83 2k89 n LEU 123 CO 0.55 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.44 2k89 n GLY 124 N 0.02 0.82 7.00 -3.96 0.00 -1.23 -4.50 105.19 103.34 2k89 n GLY 124 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.99 4.77 -1.26 -4.89 117.00 116.61 2k89 n LEU 125 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k89 n LEU 125 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k89 n LEU 125 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 2k89 n GLY 126 N 0.00 1.71 3.63 -0.72 0.00 -1.26 -5.05 105.19 103.49 2k89 n GLY 126 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 5.77 0.00 1.61 2.20 -1.26 -5.26 114.94 116.00 2k89 s ASN 127 Ca 0.00 0.07 0.29 0.00 -0.94 0.00 0.00 52.86 52.28 2k89 s ASN 127 Cb 0.00 -2.01 1.20 0.00 -2.00 0.00 0.00 41.25 38.44 2k89 s ASN 127 CO 0.00 0.12 1.83 -0.81 -2.94 0.00 0.00 177.10 175.30