#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 -0.97 -0.14 0.00 5.15 -1.26 -4.71 115.26 113.33 2k89 n ASN 50 Ca 0.00 0.82 0.00 0.00 -0.60 0.00 0.00 54.58 54.80 2k89 n ASN 50 Cb 0.00 -3.60 0.00 0.00 -0.53 0.00 0.00 39.78 35.65 2k89 n ASN 50 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 2k89 n GLN 51 N 1.04 0.00 -2.92 1.20 7.27 -1.26 -4.35 117.38 118.36 2k89 n GLN 51 Ca -0.26 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 56.37 2k89 n GLN 51 Cb 0.40 0.00 -0.00 0.00 2.41 0.00 0.00 30.24 33.05 2k89 n GLN 51 CO 0.00 0.00 0.00 -0.65 0.07 0.00 0.00 177.06 176.48 2k89 s GLN 52 N 0.00 4.03 -0.90 3.69 -0.21 -1.26 -4.92 119.66 120.09 2k89 s GLN 52 Ca 0.00 -2.45 -0.18 0.00 0.02 0.00 0.00 55.36 52.76 2k89 s GLN 52 Cb 0.00 -5.08 0.15 0.00 1.00 0.00 0.00 33.01 29.08 2k89 s GLN 52 CO 0.00 -1.80 1.04 0.95 -2.12 0.00 0.00 175.29 173.35 2k89 s THR 53 N 1.90 4.94 -0.35 -0.19 -4.23 -1.26 -4.85 115.64 111.60 2k89 s THR 53 Ca 0.42 -1.78 0.08 0.00 -1.18 0.00 0.00 61.69 59.24 2k89 s THR 53 Cb -0.03 -4.70 0.66 0.00 1.34 0.00 0.00 72.50 69.78 2k89 s THR 53 CO -0.01 -1.39 1.75 -0.24 -0.54 0.00 0.00 174.62 174.20 2k89 n SER 54 N 5.93 3.99 0.00 3.99 2.88 -1.26 -4.67 113.62 124.49 2k89 n SER 54 Ca 0.21 -3.43 0.00 0.00 -1.33 0.00 0.00 58.87 54.32 2k89 n SER 54 Cb 0.48 -0.74 0.00 0.00 -0.75 0.00 0.00 64.21 63.21 2k89 n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2k89 n GLY 55 N -0.68 1.27 3.92 0.46 0.00 -1.26 -5.04 105.19 103.86 2k89 n GLY 55 Ca 0.44 -1.98 -0.29 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.05 1.43 -0.26 1.61 3.01 -1.26 -5.03 119.74 117.18 2k89 s LYS 56 Ca 0.00 -0.16 -0.15 0.00 -1.01 0.00 0.00 55.97 54.65 2k89 s LYS 56 Cb 0.00 -1.94 -0.04 0.00 -1.01 0.00 0.00 37.83 34.85 2k89 s LYS 56 CO 0.00 -1.90 0.38 0.08 0.51 0.00 0.00 175.35 174.42 2k89 s VAL 57 N -3.67 5.17 -0.39 3.17 1.01 0.52 -4.87 120.40 121.34 2k89 s VAL 57 Ca 0.67 0.60 -0.19 0.00 0.00 0.00 0.00 61.98 63.06 2k89 s VAL 57 Cb -0.08 -3.71 0.01 0.00 0.00 0.00 0.00 36.38 32.60 2k89 s VAL 57 CO 0.50 0.16 0.56 -0.22 0.00 0.00 0.00 175.10 176.11 2k89 s LEU 58 N 2.01 4.44 -0.25 3.92 2.96 -1.26 -0.42 118.68 130.08 2k89 s LEU 58 Ca 0.16 -0.17 -0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2k89 s LEU 58 Cb -0.16 -2.64 0.01 0.00 0.50 0.00 0.00 46.19 43.90 2k89 s LEU 58 CO 0.10 -0.60 -0.02 -0.72 -1.32 0.00 0.00 176.35 173.78 2k89 s TYR 59 N 2.55 3.04 0.00 5.38 1.13 0.11 -4.71 117.35 124.85 2k89 s TYR 59 Ca 0.20 -1.16 0.00 0.00 -1.41 0.00 0.00 57.07 54.70 2k89 s TYR 59 Cb -0.15 -2.12 0.00 0.00 -1.10 0.00 0.00 41.96 38.59 2k89 s TYR 59 CO 0.15 -0.62 0.00 0.39 -2.51 0.00 0.00 175.55 172.96 2k89 n GLU 60 N 4.77 0.00 0.00 -3.49 -0.58 -1.26 -1.20 120.64 118.88 2k89 n GLU 60 Ca -0.17 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 2k89 n GLU 60 Cb 0.49 -4.07 0.00 0.00 -0.57 0.00 0.00 31.44 27.29 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 0.15 3.54 0.62 0.00 -1.26 -5.14 105.19 101.09 2k89 n GLY 61 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 1.96 -0.17 1.61 2.20 -0.34 -5.09 119.74 119.90 2k89 s LYS 62 Ca 0.00 -1.12 -0.07 0.00 -0.36 0.00 0.00 55.97 54.43 2k89 s LYS 62 Cb 0.00 -2.20 -0.04 0.00 -1.51 0.00 0.00 37.83 34.08 2k89 s LYS 62 CO 0.00 0.49 0.05 -1.21 -0.36 0.00 0.00 175.35 174.31 2k89 s GLU 63 N -2.24 3.90 0.35 4.03 2.02 -1.26 0.09 118.70 125.60 2k89 s GLU 63 Ca 0.20 -0.37 0.05 0.00 0.02 0.00 0.00 54.97 54.88 2k89 s GLU 63 Cb -0.11 -3.15 -0.07 0.00 0.10 0.00 0.00 34.13 30.90 2k89 s GLU 63 CO 0.12 0.29 0.03 -0.06 0.02 0.00 0.00 175.26 175.66 2k89 s PHE 64 N 0.30 2.17 0.04 1.61 0.08 0.44 -4.90 117.98 117.71 2k89 s PHE 64 Ca 0.02 -0.83 -0.26 0.00 0.12 0.00 0.00 56.93 55.98 2k89 s PHE 64 Cb -0.13 -1.44 -0.14 0.00 -0.57 0.00 0.00 43.02 40.74 2k89 s PHE 64 CO 0.01 0.19 1.39 -0.44 -0.10 0.00 0.00 175.22 176.27 2k89 h ASP 65 N 2.01 -0.82 -3.09 1.36 3.32 -1.79 0.15 116.42 117.55 2k89 h ASP 65 Ca -0.42 0.03 -0.36 0.00 0.02 0.00 0.00 57.03 56.30 2k89 h ASP 65 Cb 1.24 0.22 -0.38 0.00 0.22 0.00 0.00 39.33 40.63 2k89 h ASP 65 CO 0.73 -0.56 -0.70 -0.31 -1.72 0.00 0.00 179.24 176.68 2k89 s TYR 66 N -5.06 -0.02 -0.04 4.55 2.02 -0.08 -3.87 117.35 114.86 2k89 s TYR 66 Ca -0.14 0.23 -0.00 0.00 -0.37 0.00 0.00 57.07 56.79 2k89 s TYR 66 Cb 0.02 -0.45 -0.03 0.00 -0.40 0.00 0.00 41.96 41.09 2k89 s TYR 66 CO 0.41 -0.34 0.00 0.14 -1.57 0.00 0.00 175.55 174.20 2k89 s VAL 67 N 2.22 4.22 0.23 0.71 -7.23 -1.26 -0.85 120.40 118.44 2k89 s VAL 67 Ca 0.04 -0.42 0.00 0.00 -1.81 0.00 0.00 61.98 59.79 2k89 s VAL 67 Cb -0.13 -2.83 -0.04 0.00 0.56 0.00 0.00 36.38 33.94 2k89 s VAL 67 CO -0.06 0.49 0.41 0.12 -0.31 0.00 0.00 175.10 175.75 2k89 s PHE 68 N -0.98 3.48 -0.28 2.82 5.36 0.57 -4.83 117.98 124.12 2k89 s PHE 68 Ca 0.16 0.28 -0.15 0.00 -0.96 0.00 0.00 56.93 56.27 2k89 s PHE 68 Cb -0.11 -1.81 -0.03 0.00 -0.34 0.00 0.00 43.02 40.72 2k89 s PHE 68 CO 0.06 0.34 0.38 0.45 -1.46 0.00 0.00 175.22 175.00 2k89 s SER 69 N -3.46 6.25 -0.32 6.13 0.15 -1.26 0.10 113.70 121.29 2k89 s SER 69 Ca 0.38 0.22 -0.10 0.00 0.70 0.00 0.00 55.95 57.15 2k89 s SER 69 Cb -0.10 -2.21 -0.01 0.00 -1.71 0.00 0.00 66.02 61.99 2k89 s SER 69 CO 0.30 -0.22 0.17 -0.63 1.20 0.00 0.00 173.24 174.06 2k89 s ILE 70 N 2.09 4.68 -0.27 6.45 -1.09 0.17 -4.94 121.20 128.29 2k89 s ILE 70 Ca 0.15 -0.43 -0.09 0.00 -2.23 0.00 0.00 60.65 58.05 2k89 s ILE 70 Cb -0.16 -3.41 -0.03 0.00 -1.58 0.00 0.00 42.46 37.29 2k89 s ILE 70 CO 0.10 0.03 0.11 1.51 -1.23 0.00 0.00 174.94 175.47 2k89 s ASP 71 N 1.62 5.40 -0.19 3.58 -4.77 -1.26 -1.29 116.67 119.76 2k89 s ASP 71 Ca 0.05 -0.25 0.01 0.00 -3.30 0.00 0.00 52.55 49.05 2k89 s ASP 71 Cb -0.17 -1.98 -0.12 0.00 -1.09 0.00 0.00 42.92 39.56 2k89 s ASP 71 CO 0.07 -0.08 -0.17 0.52 0.70 0.00 0.00 175.17 176.21 2k89 n VAL 72 N 4.96 1.08 -4.48 2.11 0.31 -1.26 -5.04 118.33 116.02 2k89 n VAL 72 Ca -0.15 -0.40 -0.25 0.00 -0.01 0.00 0.00 64.34 63.53 2k89 n VAL 72 Cb 0.51 -1.21 -0.10 0.00 -0.91 0.00 0.00 33.84 32.13 2k89 n VAL 72 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 2k89 s ASN 73 N -5.90 3.74 0.07 4.52 2.47 -1.26 -5.09 114.94 113.49 2k89 s ASN 73 Ca -0.26 -1.07 -0.31 0.00 0.42 0.00 0.00 52.86 51.65 2k89 s ASN 73 Cb 0.07 -0.36 -0.09 0.00 -1.45 0.00 0.00 41.25 39.42 2k89 s ASN 73 CO 0.43 -0.07 1.69 -1.61 -3.72 0.00 0.00 177.10 173.81 2k89 s GLU 74 N -3.57 4.19 0.00 0.43 0.41 -1.26 -3.56 118.70 115.33 2k89 s GLU 74 Ca 0.31 2.37 0.00 0.00 -0.41 0.00 0.00 54.97 57.25 2k89 s GLU 74 Cb -0.02 -3.63 0.00 0.00 -1.78 0.00 0.00 34.13 28.70 2k89 s GLU 74 CO 0.16 -0.76 0.00 0.41 -0.49 0.00 0.00 175.26 174.58 2k89 n GLY 75 N 4.05 1.68 3.90 -1.39 0.00 -1.26 -4.82 105.19 107.35 2k89 n GLY 75 Ca 0.16 -0.10 -0.03 0.00 0.00 0.00 0.00 46.02 46.05 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 0.13 0.73 -0.02 0.00 -1.23 -4.74 107.32 102.18 2k89 s GLY 76 Ca 0.00 -0.35 -0.11 0.00 0.00 0.00 0.00 44.72 44.25 2k89 s GLY 76 CO 0.00 2.77 1.10 2.56 0.00 0.00 0.00 173.10 179.52 2k89 s PRO 77 N -2.11 2.65 -0.26 2.90 0.04 -1.26 -4.36 135.00 132.60 2k89 s PRO 77 Ca 0.23 0.52 -0.16 0.00 0.04 0.00 0.00 61.00 61.63 2k89 s PRO 77 Cb -0.03 -1.99 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 2k89 s PRO 77 CO 0.05 -1.20 0.42 0.45 0.04 0.00 0.00 177.00 176.76 2k89 s SER 78 N -4.22 6.33 0.24 6.66 0.15 -1.26 -4.45 113.70 117.15 2k89 s SER 78 Ca 0.59 0.39 0.07 0.00 0.70 0.00 0.00 55.95 57.70 2k89 s SER 78 Cb -0.12 -2.23 -0.04 0.00 -1.71 0.00 0.00 66.02 61.92 2k89 s SER 78 CO 0.52 -0.19 0.20 -0.31 1.20 0.00 0.00 173.24 174.66 2k89 s TYR 79 N 2.01 3.14 0.04 3.44 2.02 -0.41 -4.98 117.35 122.60 2k89 s TYR 79 Ca 0.17 -0.10 0.04 0.00 -0.37 0.00 0.00 57.07 56.81 2k89 s TYR 79 Cb -0.16 -1.42 -0.02 0.00 -0.40 0.00 0.00 41.96 39.96 2k89 s TYR 79 CO 0.09 0.52 -0.11 0.15 -1.57 0.00 0.00 175.55 174.63 2k89 s LYS 80 N -3.79 0.71 -0.58 -0.62 -0.14 -1.26 0.46 119.74 114.52 2k89 s LYS 80 Ca 0.33 -0.73 -0.01 0.00 -1.36 0.00 0.00 55.97 54.20 2k89 s LYS 80 Cb -0.08 -0.63 0.15 0.00 -1.68 0.00 0.00 37.83 35.58 2k89 s LYS 80 CO 0.25 0.15 0.37 -1.17 -0.76 0.00 0.00 175.35 174.19 2k89 s LEU 81 N -1.29 5.02 0.27 3.17 0.20 0.11 -4.88 118.68 121.29 2k89 s LEU 81 Ca -0.03 -2.81 -0.30 0.00 0.69 0.00 0.00 54.13 51.68 2k89 s LEU 81 Cb -0.08 -1.80 -0.10 0.00 -0.43 0.00 0.00 46.19 43.78 2k89 s LEU 81 CO 0.01 -0.35 1.40 -2.84 -0.29 0.00 0.00 176.35 174.28 2k89 s PRO 82 N 0.00 4.29 -0.03 0.98 0.02 -1.26 -0.31 135.00 138.69 2k89 s PRO 82 Ca 0.16 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.45 2k89 s PRO 82 Cb -0.22 -3.10 0.03 0.00 0.02 0.00 0.00 34.50 31.23 2k89 s PRO 82 CO -0.03 -0.36 0.02 -0.47 -0.33 0.00 0.00 177.00 175.83 2k89 s TYR 83 N -0.28 0.20 -0.13 6.54 5.04 -0.03 -4.91 117.35 123.78 2k89 s TYR 83 Ca 0.57 0.07 -0.03 0.00 -2.44 0.00 0.00 57.07 55.23 2k89 s TYR 83 Cb -0.41 -0.37 -0.03 0.00 0.35 0.00 0.00 41.96 41.50 2k89 s TYR 83 CO 0.46 -0.13 -0.01 0.54 -1.34 0.00 0.00 175.55 175.06 2k89 s ASN 84 N 1.20 5.05 0.11 4.32 4.22 -1.26 -0.90 114.94 127.68 2k89 s ASN 84 Ca -0.07 -0.00 0.13 0.00 -2.14 0.00 0.00 52.86 50.77 2k89 s ASN 84 Cb -0.13 -1.68 0.59 0.00 1.28 0.00 0.00 41.25 41.31 2k89 s ASN 84 CO -0.02 0.25 1.40 0.35 -2.04 0.00 0.00 177.10 177.03 2k89 n THR 85 N 3.02 1.30 1.31 0.54 -2.24 -1.26 -1.01 114.28 115.94 2k89 n THR 85 Ca -0.18 0.42 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 2k89 n THR 85 Cb 0.53 -1.33 0.66 0.00 -2.10 0.00 0.00 70.33 68.08 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 -1.78 0.17 -4.90 3.42 2.88 -1.26 -4.87 113.62 107.27 2k89 n SER 86 Ca 0.01 -0.15 -0.24 0.00 -1.33 0.00 0.00 58.87 57.16 2k89 n SER 86 Cb 0.10 -0.23 -0.01 0.00 -0.75 0.00 0.00 64.21 63.32 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 -2.65 4.76 0.11 -3.46 2.15 -0.18 -5.13 116.67 112.27 2k89 s ASP 87 Ca 0.25 -1.09 0.03 0.00 0.43 0.00 0.00 52.55 52.17 2k89 s ASP 87 Cb 0.20 0.14 -0.04 0.00 -0.30 0.00 0.00 42.92 42.92 2k89 s ASP 87 CO 0.49 -1.01 0.15 -1.81 -0.17 0.00 0.00 175.17 172.83 2k89 s ASP 88 N -4.27 5.79 0.06 -0.34 1.01 -1.26 -4.96 116.67 112.69 2k89 s ASP 88 Ca 0.41 0.03 -0.19 0.00 0.71 0.00 0.00 52.55 53.50 2k89 s ASP 88 Cb -0.02 -1.62 -0.08 0.00 1.01 0.00 0.00 42.92 42.21 2k89 s ASP 88 CO 0.25 0.12 1.30 1.55 0.21 0.00 0.00 175.17 178.60 2k89 h PRO 89 N 2.81 -0.35 0.00 8.23 0.13 -1.93 0.17 132.00 141.05 2k89 h PRO 89 Ca -0.47 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.64 2k89 h PRO 89 Cb 1.18 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2k89 h PRO 89 CO 0.67 -0.24 -0.19 0.11 -0.23 0.00 0.00 178.00 178.13 2k89 h TRP 90 N -0.37 0.00 -0.06 1.56 5.08 -1.89 0.21 115.95 120.49 2k89 h TRP 90 Ca 0.01 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.93 2k89 h TRP 90 Cb 0.40 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.56 2k89 h TRP 90 CO -0.46 0.19 -0.15 -0.07 -1.28 0.00 0.00 178.44 176.67 2k89 h LEU 91 N 0.00 0.23 -0.24 0.11 3.38 -1.85 0.14 115.31 117.09 2k89 h LEU 91 Ca -0.00 -0.60 -0.01 0.00 0.09 0.00 0.00 57.88 57.35 2k89 h LEU 91 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k89 h LEU 91 CO 0.02 0.79 0.09 0.74 0.09 0.00 0.00 178.44 180.18 2k89 h THR 92 N -0.32 1.17 -0.68 0.22 2.02 -0.22 0.30 112.91 115.41 2k89 h THR 92 Ca -0.00 -0.53 -0.03 0.00 0.77 0.00 0.00 66.41 66.62 2k89 h THR 92 Cb 0.77 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 68.23 2k89 h THR 92 CO 0.03 0.18 0.31 0.00 0.37 0.00 0.00 175.52 176.41 2k89 h ALA 93 N 0.93 0.87 -0.63 6.16 0.00 -0.66 -1.77 119.26 124.17 2k89 h ALA 93 Ca 0.08 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.77 2k89 h ALA 93 Cb 0.19 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2k89 h ALA 93 CO -0.01 0.45 0.12 -0.92 0.00 0.00 0.00 179.25 178.89 2k89 h TYR 94 N 0.94 1.07 -0.24 0.00 5.03 -0.49 0.20 116.97 123.48 2k89 h TYR 94 Ca 0.23 -0.13 0.00 0.00 2.58 0.00 0.00 58.73 61.41 2k89 h TYR 94 Cb 0.14 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.11 2k89 h TYR 94 CO 0.01 0.90 0.16 -0.91 -1.32 0.00 0.00 178.16 176.99 2k89 h ASN 95 N 0.96 0.28 -0.42 -2.11 -0.26 -0.48 0.13 115.58 113.68 2k89 h ASN 95 Ca 0.20 -0.02 -0.13 0.00 -0.56 0.00 0.00 56.30 55.79 2k89 h ASN 95 Cb 0.39 -0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.57 2k89 h ASN 95 CO 0.01 0.21 -0.23 0.15 -1.06 0.00 0.00 177.43 176.51 2k89 h PHE 96 N 0.32 1.07 -0.13 1.19 3.57 -1.08 0.15 116.94 122.02 2k89 h PHE 96 Ca 0.09 -0.26 -0.00 0.00 3.53 0.00 0.00 57.97 61.33 2k89 h PHE 96 Cb -0.02 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.46 2k89 h PHE 96 CO -0.06 1.06 0.08 1.25 -2.23 0.00 0.00 178.31 178.41 2k89 h LEU 97 N 0.80 0.16 -0.73 0.59 5.85 -0.27 0.47 115.31 122.19 2k89 h LEU 97 Ca 0.10 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.65 2k89 h LEU 97 Cb 0.79 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.77 2k89 h LEU 97 CO 0.07 0.15 -0.42 0.06 -0.34 0.00 0.00 178.44 177.96 2k89 h GLN 98 N 0.15 0.48 -0.47 1.25 3.07 -0.74 0.69 115.11 119.54 2k89 h GLN 98 Ca 0.05 -0.24 0.01 0.00 0.09 0.00 0.00 58.65 58.55 2k89 h GLN 98 Cb 0.02 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 27.56 2k89 h GLN 98 CO -0.01 0.81 0.31 -0.22 0.09 0.00 0.00 178.83 179.81 2k89 h LYS 99 N 0.40 0.61 -0.01 0.06 3.64 -0.45 -2.93 116.57 117.88 2k89 h LYS 99 Ca 0.03 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k89 h LYS 99 Cb 0.90 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.58 2k89 h LYS 99 CO 0.08 0.40 -0.51 -1.71 -2.27 0.00 0.00 179.45 175.43 2k89 n ASN 100 N -4.77 1.77 -1.63 4.20 5.15 0.11 -4.96 115.26 115.13 2k89 n ASN 100 Ca 0.02 -1.37 -0.10 0.00 -0.60 0.00 0.00 54.58 52.54 2k89 n ASN 100 Cb 0.03 0.50 0.03 0.00 -0.53 0.00 0.00 39.78 39.80 2k89 n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k89 n ASP 101 N -0.29 -3.67 -4.86 1.20 8.00 0.27 -5.03 116.55 112.17 2k89 n ASP 101 Ca 0.09 -0.18 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 2k89 n ASP 101 Cb 0.44 -2.36 -0.02 0.00 -0.02 0.00 0.00 41.12 39.16 2k89 n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k89 s LEU 102 N -3.40 3.47 0.30 0.64 2.01 0.22 -4.99 118.68 116.93 2k89 s LEU 102 Ca 0.20 1.48 -0.29 0.00 0.01 0.00 0.00 54.13 55.53 2k89 s LEU 102 Cb -0.09 -4.46 -0.10 0.00 0.01 0.00 0.00 46.19 41.55 2k89 s LEU 102 CO 0.24 -0.70 1.22 0.21 1.01 0.00 0.00 176.35 178.33 2k89 s ASN 103 N -3.56 7.00 0.20 2.29 3.84 -1.26 -4.64 114.94 118.81 2k89 s ASN 103 Ca 0.57 2.49 0.12 0.00 0.21 0.00 0.00 52.86 56.25 2k89 s ASN 103 Cb -0.10 -2.64 0.67 0.00 -0.55 0.00 0.00 41.25 38.62 2k89 s ASN 103 CO 0.41 -0.36 1.34 -2.65 -2.79 0.00 0.00 177.10 173.05 2k89 n PRO 104 N 1.04 0.08 0.25 0.43 -0.02 -1.26 -0.41 135.00 135.11 2k89 n PRO 104 Ca -0.00 0.56 0.11 0.00 -2.02 0.00 0.00 63.50 62.15 2k89 n PRO 104 Cb 0.43 -1.83 0.67 0.00 -0.02 0.00 0.00 33.50 32.76 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 -2.69 114.93 111.53 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 0.13 0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.16 2k89 h MET 105 CO 0.00 0.14 -0.35 0.74 -0.40 0.00 0.00 176.91 177.04 2k89 h PHE 106 N 0.00 0.00 -0.80 1.39 0.04 -1.10 -3.34 116.94 113.13 2k89 h PHE 106 Ca -0.00 0.00 0.10 0.00 2.80 0.00 0.00 57.97 60.87 2k89 h PHE 106 Cb 0.37 0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.44 2k89 h PHE 106 CO 0.00 0.00 0.44 1.25 -0.60 0.00 0.00 178.31 179.40 2k89 h LEU 107 N 0.00 0.61 -0.31 1.54 5.85 -1.60 -1.93 115.31 119.46 2k89 h LEU 107 Ca 0.00 0.06 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2k89 h LEU 107 Cb 0.91 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.87 2k89 h LEU 107 CO 0.00 0.34 0.06 -0.78 -0.34 0.00 0.00 178.44 177.72 2k89 h ASP 108 N 0.73 0.49 -0.14 1.25 1.82 -1.75 -0.91 116.42 117.92 2k89 h ASP 108 Ca 0.39 -0.25 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2k89 h ASP 108 Cb 0.40 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.27 2k89 h ASP 108 CO -0.26 0.62 0.09 -0.61 -1.61 0.00 0.00 179.24 177.47 2k89 h GLN 109 N 0.35 0.18 -0.18 0.28 4.15 -1.58 0.38 115.11 118.68 2k89 h GLN 109 Ca 0.10 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.43 2k89 h GLN 109 Cb 0.33 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 27.98 2k89 h GLN 109 CO 0.00 0.12 -0.20 -0.39 -1.93 0.00 0.00 178.83 176.44 2k89 h VAL 110 N 0.18 1.34 -0.78 2.39 -1.51 -1.38 -2.77 116.25 113.71 2k89 h VAL 110 Ca 0.05 -1.37 -0.05 0.00 -1.23 0.00 0.00 66.70 64.11 2k89 h VAL 110 Cb -0.02 1.81 -0.03 0.00 -2.13 0.00 0.00 31.29 30.91 2k89 h VAL 110 CO -0.01 0.41 0.29 0.00 -1.23 0.00 0.00 177.57 177.03 2k89 h ALA 111 N 0.63 1.03 -0.75 5.19 0.00 -1.02 -0.39 119.26 123.95 2k89 h ALA 111 Ca 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2k89 h ALA 111 Cb 0.74 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2k89 h ALA 111 CO 0.05 0.67 0.36 0.87 0.00 0.00 0.00 179.25 181.20 2k89 h LYS 112 N 1.15 1.08 -0.48 0.00 1.79 -0.93 0.94 116.57 120.13 2k89 h LYS 112 Ca 0.26 -0.16 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 2k89 h LYS 112 Cb 0.25 -0.20 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 2k89 h LYS 112 CO -0.02 0.84 -0.09 0.35 -1.08 0.00 0.00 179.45 179.45 2k89 h PHE 113 N 1.05 0.95 -0.53 -1.35 3.04 -1.16 0.35 116.94 119.30 2k89 h PHE 113 Ca 0.26 -0.18 0.05 0.00 3.98 0.00 0.00 57.97 62.08 2k89 h PHE 113 Cb 0.11 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.33 2k89 h PHE 113 CO 0.01 0.91 0.27 0.82 -2.02 0.00 0.00 178.31 178.31 2k89 h ILE 114 N 0.78 0.96 -0.58 1.41 2.04 -0.50 -2.16 117.51 119.46 2k89 h ILE 114 Ca 0.13 -0.18 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 2k89 h ILE 114 Cb 0.60 0.38 -0.03 0.00 -0.74 0.00 0.00 36.82 37.04 2k89 h ILE 114 CO 0.04 0.10 0.30 0.40 0.00 0.00 0.00 178.15 178.99 2k89 h ILE 115 N 0.53 1.20 -0.90 -0.67 2.04 -0.34 -2.65 117.51 116.73 2k89 h ILE 115 Ca 0.23 -0.53 0.17 0.00 1.00 0.00 0.00 64.86 65.74 2k89 h ILE 115 Cb 0.14 0.48 -0.07 0.00 -0.74 0.00 0.00 36.82 36.62 2k89 h ILE 115 CO -0.16 0.22 0.58 0.44 0.00 0.00 0.00 178.15 179.23 2k89 h ASP 116 N 0.79 0.57 -0.28 1.72 3.32 -0.32 0.75 116.42 122.98 2k89 h ASP 116 Ca 0.20 0.05 -0.11 0.00 0.02 0.00 0.00 57.03 57.19 2k89 h ASP 116 Cb 0.08 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 2k89 h ASP 116 CO -0.03 0.26 -0.20 -1.13 -1.72 0.00 0.00 179.24 176.42 2k89 h ASN 117 N 0.58 0.75 0.40 6.45 -1.24 -1.08 -2.78 115.58 118.66 2k89 h ASN 117 Ca 0.47 -0.26 -0.13 0.00 0.71 0.00 0.00 56.30 57.09 2k89 h ASN 117 Cb 0.91 -0.20 -0.02 0.00 0.73 0.00 0.00 38.32 39.73 2k89 h ASN 117 CO -0.21 0.94 -1.71 0.35 -1.29 0.00 0.00 177.43 175.50 2k89 n THR 118 N -4.13 0.77 -2.05 -3.57 -2.24 -0.18 -4.68 114.28 98.20 2k89 n THR 118 Ca 0.00 -0.64 -0.15 0.00 -2.27 0.00 0.00 64.05 60.99 2k89 n THR 118 Cb 0.41 -0.40 0.09 0.00 -2.10 0.00 0.00 70.33 68.34 2k89 n THR 118 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2k89 n LYS 119 N -2.64 -0.21 -0.59 -0.78 2.85 0.25 -4.93 118.16 112.10 2k89 n LYS 119 Ca -0.11 -1.39 -0.03 0.00 -1.05 0.00 0.00 58.31 55.73 2k89 n LYS 119 Cb 0.77 -0.55 -0.00 0.00 -0.65 0.00 0.00 35.03 34.60 2k89 n LYS 119 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2k89 n GLY 120 N 0.36 2.80 0.04 2.58 0.00 -1.26 -3.47 105.19 106.23 2k89 n GLY 120 Ca 0.09 -0.25 0.03 0.00 0.00 0.00 0.00 46.02 45.90 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 1.35 0.77 -0.17 1.61 -0.06 -1.22 -2.37 117.38 117.29 2k89 n GLN 121 Ca 0.07 -0.12 -0.07 0.00 -2.00 0.00 0.00 57.00 54.89 2k89 n GLN 121 Cb 0.53 -1.45 0.03 0.00 -4.06 0.00 0.00 30.24 25.29 2k89 n GLN 121 CO 0.00 0.00 0.00 1.98 -0.20 0.00 0.00 177.06 178.84 2k89 h MET 122 N 0.00 0.64 0.00 3.69 4.05 -1.52 -3.37 114.93 118.41 2k89 h MET 122 Ca -0.16 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.22 2k89 h MET 122 Cb 1.28 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 31.93 2k89 h MET 122 CO 0.01 0.42 -0.11 -0.11 0.23 0.00 0.00 176.91 177.35 2k89 n LEU 123 N -4.76 0.00 -0.92 3.39 7.94 -1.26 -5.07 117.00 116.32 2k89 n LEU 123 Ca 0.03 -0.07 0.00 0.00 -1.11 0.00 0.00 56.01 54.86 2k89 n LEU 123 Cb 0.04 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.99 2k89 n LEU 123 CO 0.34 0.00 0.00 0.61 -1.11 0.00 0.00 177.39 177.23 2k89 n GLY 124 N 0.43 0.33 7.00 -3.96 0.00 -1.00 -4.95 105.19 103.04 2k89 n GLY 124 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.69 0.00 -2.75 0.99 4.77 -1.19 -4.75 117.00 113.38 2k89 n LEU 125 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 56.01 55.89 2k89 n LEU 125 Cb 0.31 0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.49 2k89 n LEU 125 CO 0.00 -0.76 0.34 0.61 -1.33 0.00 0.00 177.39 176.25 2k89 n GLY 126 N 0.00 1.10 2.83 -0.72 0.00 -1.26 -5.02 105.19 102.12 2k89 n GLY 126 Ca 0.00 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 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 -1.40 4.25 0.00 1.61 3.84 -1.26 -5.27 114.94 116.70 2k89 s ASN 127 Ca 0.23 -1.78 0.29 0.00 0.21 0.00 0.00 52.86 51.81 2k89 s ASN 127 Cb 0.34 -1.12 1.75 0.00 -0.55 0.00 0.00 41.25 41.67 2k89 s ASN 127 CO -0.06 -0.40 2.08 -2.65 -2.79 0.00 0.00 177.10 173.28