#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 0.10 -4.79 0.00 3.02 -1.26 -5.11 115.26 107.22 2k89 n ASN 50 Ca 0.00 -2.70 -0.26 0.00 -0.03 0.00 0.00 54.58 51.59 2k89 n ASN 50 Cb 0.00 -0.58 -0.05 0.00 -0.61 0.00 0.00 39.78 38.53 2k89 n ASN 50 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2k89 s GLN 51 N -1.14 2.26 0.30 3.52 -2.07 -1.26 -5.15 119.66 116.12 2k89 s GLN 51 Ca 0.35 -1.92 -0.02 0.00 -1.82 0.00 0.00 55.36 51.95 2k89 s GLN 51 Cb 0.17 -2.00 0.06 0.00 -1.09 0.00 0.00 33.01 30.16 2k89 s GLN 51 CO -0.11 -0.27 0.41 1.04 -1.32 0.00 0.00 175.29 175.04 2k89 n GLN 52 N -1.39 0.13 -2.33 9.60 3.00 -1.26 -4.94 117.38 120.18 2k89 n GLN 52 Ca -0.03 -0.97 -0.36 0.00 -0.01 0.00 0.00 57.00 55.64 2k89 n GLN 52 Cb 0.64 -0.32 -0.03 0.00 0.00 0.00 0.00 30.24 30.54 2k89 n GLN 52 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k89 s THR 53 N -1.29 3.83 -0.01 5.09 2.01 -1.26 -4.76 115.64 119.26 2k89 s THR 53 Ca 0.26 -1.39 -0.01 0.00 0.31 0.00 0.00 61.69 60.86 2k89 s THR 53 Cb -0.01 -4.88 -0.01 0.00 0.01 0.00 0.00 72.50 67.61 2k89 s THR 53 CO 0.18 -1.53 0.24 0.77 -0.69 0.00 0.00 174.62 173.59 2k89 h SER 54 N 8.71 -0.03 -0.54 3.53 4.64 -2.01 -3.44 113.55 124.42 2k89 h SER 54 Ca 0.33 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.36 2k89 h SER 54 Cb 0.91 0.01 -0.31 0.00 -0.31 0.00 0.00 62.40 62.70 2k89 h SER 54 CO 1.35 0.02 -0.86 0.61 -0.87 0.00 0.00 176.83 177.07 2k89 n GLY 55 N 1.28 1.55 3.77 -0.77 0.00 -1.26 -5.12 105.19 104.63 2k89 n GLY 55 Ca -0.00 -0.82 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.98 3.76 -0.12 1.61 3.01 -1.26 -4.90 119.74 119.86 2k89 s LYS 56 Ca 0.24 1.94 -0.13 0.00 -1.01 0.00 0.00 55.97 57.00 2k89 s LYS 56 Cb 0.42 -2.51 -0.05 0.00 -1.01 0.00 0.00 37.83 34.69 2k89 s LYS 56 CO -0.02 -0.60 0.31 0.08 0.51 0.00 0.00 175.35 175.63 2k89 s VAL 57 N -1.42 5.27 -0.41 3.17 1.01 0.12 -4.82 120.40 123.32 2k89 s VAL 57 Ca 0.62 0.59 -0.17 0.00 0.00 0.00 0.00 61.98 63.02 2k89 s VAL 57 Cb -0.33 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.44 2k89 s VAL 57 CO 0.40 0.45 0.46 -0.22 0.00 0.00 0.00 175.10 176.20 2k89 s LEU 58 N -0.04 4.72 -0.35 3.92 2.96 -1.26 -0.14 118.68 128.49 2k89 s LEU 58 Ca 0.18 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.44 2k89 s LEU 58 Cb -0.14 -2.44 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 2k89 s LEU 58 CO 0.06 -0.56 0.26 -0.72 -1.32 0.00 0.00 176.35 174.07 2k89 s TYR 59 N 2.22 3.23 0.00 5.38 1.13 0.93 -4.78 117.35 125.46 2k89 s TYR 59 Ca 0.14 -0.24 0.00 0.00 -1.41 0.00 0.00 57.07 55.56 2k89 s TYR 59 Cb -0.16 -2.51 0.00 0.00 -1.10 0.00 0.00 41.96 38.18 2k89 s TYR 59 CO 0.14 -0.40 0.00 0.39 -2.51 0.00 0.00 175.55 173.17 2k89 n GLU 60 N 5.14 0.00 0.00 -3.49 -0.58 -1.26 -1.49 120.64 118.96 2k89 n GLU 60 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2k89 n GLU 60 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 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 0.00 0.76 3.42 0.62 0.00 -1.26 -5.13 105.19 103.61 2k89 n GLY 61 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 1.52 -0.10 1.61 2.20 -0.55 -5.11 119.74 119.31 2k89 s LYS 62 Ca 0.00 -1.55 -0.01 0.00 -0.36 0.00 0.00 55.97 54.05 2k89 s LYS 62 Cb 0.00 -1.79 -0.03 0.00 -1.51 0.00 0.00 37.83 34.50 2k89 s LYS 62 CO 0.00 0.38 -0.05 -1.21 -0.36 0.00 0.00 175.35 174.10 2k89 s GLU 63 N -2.81 3.05 0.30 4.03 2.02 -1.26 -0.05 118.70 123.98 2k89 s GLU 63 Ca 0.22 -0.53 0.03 0.00 0.02 0.00 0.00 54.97 54.71 2k89 s GLU 63 Cb -0.07 -2.70 -0.04 0.00 0.10 0.00 0.00 34.13 31.42 2k89 s GLU 63 CO 0.10 0.54 0.17 -0.06 0.02 0.00 0.00 175.26 176.04 2k89 s PHE 64 N -0.47 1.57 0.03 1.61 0.08 0.81 -4.91 117.98 116.69 2k89 s PHE 64 Ca 0.07 -1.42 -0.13 0.00 0.12 0.00 0.00 56.93 55.57 2k89 s PHE 64 Cb -0.12 -0.80 -0.07 0.00 -0.57 0.00 0.00 43.02 41.46 2k89 s PHE 64 CO 0.02 -0.59 1.20 0.22 -0.10 0.00 0.00 175.22 175.97 2k89 h ASP 65 N 2.25 -0.47 -3.15 1.36 1.82 -1.80 0.35 116.42 116.77 2k89 h ASP 65 Ca -0.33 0.03 -0.24 0.00 -0.39 0.00 0.00 57.03 56.10 2k89 h ASP 65 Cb 1.25 0.15 -0.33 0.00 0.68 0.00 0.00 39.33 41.07 2k89 h ASP 65 CO 0.50 -0.26 -0.57 -0.31 -1.61 0.00 0.00 179.24 176.99 2k89 s TYR 66 N -4.03 -0.27 0.04 0.28 1.51 -0.47 -3.59 117.35 110.81 2k89 s TYR 66 Ca -0.07 0.71 0.06 0.00 -1.01 0.00 0.00 57.07 56.76 2k89 s TYR 66 Cb 0.01 -0.11 -0.03 0.00 -0.11 0.00 0.00 41.96 41.72 2k89 s TYR 66 CO 0.21 -0.26 -0.12 0.14 -1.11 0.00 0.00 175.55 174.41 2k89 s VAL 67 N 1.89 3.27 0.21 0.71 -7.23 -1.26 -0.29 120.40 117.70 2k89 s VAL 67 Ca -0.02 -1.05 -0.03 0.00 -1.81 0.00 0.00 61.98 59.07 2k89 s VAL 67 Cb -0.12 -2.43 -0.05 0.00 0.56 0.00 0.00 36.38 34.34 2k89 s VAL 67 CO -0.07 0.30 0.44 0.12 -0.31 0.00 0.00 175.10 175.58 2k89 s PHE 68 N -1.03 3.48 -0.28 2.82 5.36 0.55 -4.83 117.98 124.06 2k89 s PHE 68 Ca 0.17 0.48 -0.10 0.00 -0.96 0.00 0.00 56.93 56.52 2k89 s PHE 68 Cb -0.11 -1.96 -0.04 0.00 -0.34 0.00 0.00 43.02 40.57 2k89 s PHE 68 CO 0.08 0.33 0.16 -1.12 -1.46 0.00 0.00 175.22 173.22 2k89 s SER 69 N -3.00 5.78 -0.27 6.13 0.01 -1.26 -0.00 113.70 121.10 2k89 s SER 69 Ca 0.41 -0.14 -0.02 0.00 1.31 0.00 0.00 55.95 57.51 2k89 s SER 69 Cb -0.11 -2.07 0.03 0.00 0.21 0.00 0.00 66.02 64.08 2k89 s SER 69 CO 0.28 -0.08 -0.03 -0.63 0.41 0.00 0.00 173.24 173.19 2k89 s ILE 70 N 1.71 2.99 -0.19 1.44 1.01 0.13 -4.98 121.20 123.31 2k89 s ILE 70 Ca 0.07 -1.10 -0.07 0.00 0.00 0.00 0.00 60.65 59.55 2k89 s ILE 70 Cb -0.16 -2.58 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 2k89 s ILE 70 CO 0.09 0.10 0.06 -1.81 0.00 0.00 0.00 174.94 173.38 2k89 s ASP 71 N 1.32 5.49 0.17 3.58 1.11 -1.26 -0.88 116.67 126.19 2k89 s ASP 71 Ca -0.01 0.02 -0.10 0.00 0.18 0.00 0.00 52.55 52.64 2k89 s ASP 71 Cb -0.18 -1.94 0.02 0.00 1.07 0.00 0.00 42.92 41.89 2k89 s ASP 71 CO -0.03 0.14 1.58 -0.37 1.18 0.00 0.00 175.17 177.67 2k89 h VAL 72 N 5.00 1.27 0.00 -1.27 -1.51 -1.95 -3.47 116.25 114.32 2k89 h VAL 72 Ca -0.36 -1.31 0.00 0.00 -1.23 0.00 0.00 66.70 63.80 2k89 h VAL 72 Cb 1.17 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2k89 h VAL 72 CO 0.67 0.46 0.00 -3.20 -1.23 0.00 0.00 177.57 174.27 2k89 n ASN 73 N -4.14 0.00 -4.73 4.19 4.05 -1.26 -5.11 115.26 108.26 2k89 n ASN 73 Ca 0.01 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.62 2k89 n ASN 73 Cb 0.42 0.00 -0.01 0.00 1.23 0.00 0.00 39.78 41.42 2k89 n ASN 73 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2k89 n GLU 74 N 0.00 2.41 -0.81 1.20 1.02 -1.26 -4.83 120.64 118.37 2k89 n GLU 74 Ca 0.00 0.85 -0.20 0.00 -0.02 0.00 0.00 57.16 57.79 2k89 n GLU 74 Cb 0.00 -2.53 -0.05 0.00 -0.02 0.00 0.00 31.44 28.84 2k89 n GLU 74 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k89 n GLY 75 N 1.08 3.03 0.00 0.62 0.00 -1.26 -4.63 105.19 104.03 2k89 n GLY 75 Ca 0.05 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.13 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 3.34 4.15 3.86 -0.02 0.00 -1.26 -4.86 105.19 110.40 2k89 n GLY 76 Ca 0.45 -0.49 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.67 3.95 -0.07 1.61 0.04 -1.26 -5.00 135.00 131.60 2k89 s PRO 77 Ca 0.00 0.59 -0.29 0.00 0.04 0.00 0.00 61.00 61.34 2k89 s PRO 77 Cb 0.00 -2.45 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 2k89 s PRO 77 CO 0.00 0.15 0.96 -1.12 0.04 0.00 0.00 177.00 177.04 2k89 s SER 78 N -2.40 7.25 0.15 6.66 0.01 -1.26 -4.70 113.70 119.41 2k89 s SER 78 Ca 0.53 1.53 0.05 0.00 1.31 0.00 0.00 55.95 59.37 2k89 s SER 78 Cb -0.10 -2.54 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2k89 s SER 78 CO 0.20 -0.35 0.09 -0.31 0.41 0.00 0.00 173.24 173.28 2k89 s TYR 79 N 1.56 3.07 0.03 2.43 2.02 -0.05 -4.99 117.35 121.41 2k89 s TYR 79 Ca 0.48 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 57.19 2k89 s TYR 79 Cb -0.19 -1.50 -0.02 0.00 -0.40 0.00 0.00 41.96 39.85 2k89 s TYR 79 CO 0.21 0.52 -0.11 0.15 -1.57 0.00 0.00 175.55 174.75 2k89 s LYS 80 N -2.92 0.78 -0.51 -0.62 -0.14 -1.26 0.18 119.74 115.25 2k89 s LYS 80 Ca 0.30 -0.61 0.01 0.00 -1.36 0.00 0.00 55.97 54.30 2k89 s LYS 80 Cb -0.10 -0.74 0.13 0.00 -1.68 0.00 0.00 37.83 35.44 2k89 s LYS 80 CO 0.22 0.18 0.27 -1.17 -0.76 0.00 0.00 175.35 174.09 2k89 s LEU 81 N -0.92 4.77 0.17 3.17 0.20 1.00 -4.90 118.68 122.18 2k89 s LEU 81 Ca 0.00 -2.71 -0.31 0.00 0.69 0.00 0.00 54.13 51.80 2k89 s LEU 81 Cb -0.07 -1.72 -0.09 0.00 -0.43 0.00 0.00 46.19 43.88 2k89 s LEU 81 CO 0.01 -0.33 1.42 -2.84 -0.29 0.00 0.00 176.35 174.32 2k89 s PRO 82 N 0.14 4.30 -0.04 0.98 0.02 -1.26 -0.33 135.00 138.81 2k89 s PRO 82 Ca 0.15 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2k89 s PRO 82 Cb -0.23 -3.18 0.01 0.00 0.02 0.00 0.00 34.50 31.12 2k89 s PRO 82 CO -0.03 -0.43 -0.10 -0.47 -0.33 0.00 0.00 177.00 175.64 2k89 s TYR 83 N 0.64 1.08 -0.19 6.54 5.04 0.60 -4.92 117.35 126.14 2k89 s TYR 83 Ca 0.63 -0.30 -0.04 0.00 -2.44 0.00 0.00 57.07 54.91 2k89 s TYR 83 Cb -0.39 -0.78 -0.02 0.00 0.35 0.00 0.00 41.96 41.11 2k89 s TYR 83 CO 0.35 -0.14 -0.02 1.21 -1.34 0.00 0.00 175.55 175.61 2k89 s ASN 84 N 0.32 4.71 0.10 4.32 3.04 -1.26 -1.37 114.94 124.80 2k89 s ASN 84 Ca -0.06 -0.21 0.08 0.00 0.04 0.00 0.00 52.86 52.71 2k89 s ASN 84 Cb -0.11 -1.79 0.40 0.00 -1.54 0.00 0.00 41.25 38.21 2k89 s ASN 84 CO 0.01 0.09 1.24 0.35 -3.04 0.00 0.00 177.10 175.75 2k89 n THR 85 N 4.09 1.62 1.23 -5.21 -2.24 -1.26 -0.44 114.28 112.07 2k89 n THR 85 Ca -0.17 0.53 0.14 0.00 -2.27 0.00 0.00 64.05 62.28 2k89 n THR 85 Cb 0.52 -1.51 0.51 0.00 -2.10 0.00 0.00 70.33 67.75 2k89 n THR 85 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2k89 n SER 86 N -1.73 0.45 -4.84 3.42 7.64 -1.26 -4.91 113.62 112.39 2k89 n SER 86 Ca -0.00 -0.34 -0.21 0.00 1.01 0.00 0.00 58.87 59.32 2k89 n SER 86 Cb 0.03 -0.06 -0.04 0.00 -1.01 0.00 0.00 64.21 63.13 2k89 n SER 86 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k89 s ASP 87 N -2.68 5.05 0.26 6.43 2.15 0.42 -5.10 116.67 123.20 2k89 s ASP 87 Ca 0.22 -0.68 -0.14 0.00 0.43 0.00 0.00 52.55 52.39 2k89 s ASP 87 Cb 0.19 -0.74 -0.08 0.00 -0.30 0.00 0.00 42.92 41.99 2k89 s ASP 87 CO 0.54 -0.48 0.66 -1.81 -0.17 0.00 0.00 175.17 173.90 2k89 s ASP 88 N -4.03 6.77 0.11 -0.34 1.11 -1.26 -4.93 116.67 114.10 2k89 s ASP 88 Ca 0.43 1.17 -0.34 0.00 0.18 0.00 0.00 52.55 54.00 2k89 s ASP 88 Cb -0.04 -2.33 -0.14 0.00 1.07 0.00 0.00 42.92 41.49 2k89 s ASP 88 CO 0.26 -0.10 1.54 1.55 1.18 0.00 0.00 175.17 179.60 2k89 h PRO 89 N 2.63 -0.66 -0.96 8.23 0.13 -1.94 0.91 132.00 140.34 2k89 h PRO 89 Ca -0.48 0.05 0.09 0.00 -0.87 0.00 0.00 66.00 64.79 2k89 h PRO 89 Cb 1.18 0.15 -0.07 0.00 0.13 0.00 0.00 31.00 32.39 2k89 h PRO 89 CO 0.66 -0.44 0.62 2.35 -0.23 0.00 0.00 178.00 180.96 2k89 h TRP 90 N -0.69 1.09 -0.07 1.56 7.01 -1.89 0.22 115.95 123.18 2k89 h TRP 90 Ca 0.01 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.98 2k89 h TRP 90 Cb 0.72 -0.35 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2k89 h TRP 90 CO -0.50 0.51 -0.18 -0.07 -2.79 0.00 0.00 178.44 175.41 2k89 h LEU 91 N 1.02 0.28 -0.35 0.65 3.38 -1.85 0.12 115.31 118.54 2k89 h LEU 91 Ca 0.44 -0.60 -0.00 0.00 0.09 0.00 0.00 57.88 57.81 2k89 h LEU 91 Cb 0.35 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2k89 h LEU 91 CO -0.20 0.83 0.22 0.74 0.09 0.00 0.00 178.44 180.12 2k89 h THR 92 N -0.26 1.11 -0.53 0.22 2.02 -0.38 0.11 112.91 115.20 2k89 h THR 92 Ca -0.00 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 66.89 2k89 h THR 92 Cb 0.80 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.82 2k89 h THR 92 CO 0.04 0.11 0.13 0.00 0.37 0.00 0.00 175.52 176.17 2k89 h ALA 93 N 1.10 0.69 -0.59 6.16 0.00 -0.61 -2.29 119.26 123.72 2k89 h ALA 93 Ca 0.13 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2k89 h ALA 93 Cb -0.01 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2k89 h ALA 93 CO -0.03 0.39 0.03 -0.92 0.00 0.00 0.00 179.25 178.72 2k89 h TYR 94 N 0.74 1.07 -0.28 0.00 5.03 -0.46 0.13 116.97 123.20 2k89 h TYR 94 Ca 0.17 -0.16 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2k89 h TYR 94 Cb 0.33 -0.29 -0.02 0.00 1.55 0.00 0.00 36.73 38.31 2k89 h TYR 94 CO 0.02 0.94 0.16 -0.97 -1.32 0.00 0.00 178.16 176.99 2k89 h ASN 95 N 0.92 0.26 -0.41 -2.11 -1.24 -0.51 0.23 115.58 112.72 2k89 h ASN 95 Ca 0.17 0.00 -0.15 0.00 0.71 0.00 0.00 56.30 57.04 2k89 h ASN 95 Cb 0.49 -0.05 -0.01 0.00 0.73 0.00 0.00 38.32 39.49 2k89 h ASN 95 CO 0.02 0.19 -0.33 0.15 -1.29 0.00 0.00 177.43 176.17 2k89 h PHE 96 N 0.33 1.13 -0.17 0.67 3.57 -1.22 -1.76 116.94 119.49 2k89 h PHE 96 Ca 0.11 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.29 2k89 h PHE 96 Cb 0.00 -0.25 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2k89 h PHE 96 CO -0.08 1.15 0.10 1.25 -2.23 0.00 0.00 178.31 178.49 2k89 h LEU 97 N 0.80 0.21 -0.68 0.59 5.85 -0.23 0.32 115.31 122.17 2k89 h LEU 97 Ca 0.08 -0.07 -0.13 0.00 0.84 0.00 0.00 57.88 58.60 2k89 h LEU 97 Cb 0.92 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2k89 h LEU 97 CO 0.09 0.22 -0.36 0.06 -0.34 0.00 0.00 178.44 178.11 2k89 h GLN 98 N 0.18 0.62 -0.33 1.25 3.07 -0.60 0.52 115.11 119.82 2k89 h GLN 98 Ca 0.06 -0.30 -0.05 0.00 0.09 0.00 0.00 58.65 58.46 2k89 h GLN 98 Cb 0.05 -0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.60 2k89 h GLN 98 CO -0.01 0.88 0.02 -0.22 0.09 0.00 0.00 178.83 179.60 2k89 h LYS 99 N 0.52 0.58 -0.00 0.06 3.11 -0.95 -2.81 116.57 117.07 2k89 h LYS 99 Ca 0.05 -0.17 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 2k89 h LYS 99 Cb 0.86 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 32.03 2k89 h LYS 99 CO 0.07 0.68 -0.36 -1.71 -2.81 0.00 0.00 179.45 175.33 2k89 n ASN 100 N -4.55 0.84 -2.49 4.20 2.85 0.07 -4.94 115.26 111.23 2k89 n ASN 100 Ca -0.02 -0.66 -0.13 0.00 -0.11 0.00 0.00 54.58 53.66 2k89 n ASN 100 Cb 0.25 0.19 0.05 0.00 1.24 0.00 0.00 39.78 41.51 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 -0.97 -3.66 -4.70 1.20 2.03 0.04 -5.03 116.55 105.46 2k89 n ASP 101 Ca 0.10 -0.36 -0.29 0.00 0.52 0.00 0.00 54.79 54.75 2k89 n ASP 101 Cb 0.34 -3.39 0.12 0.00 -0.72 0.00 0.00 41.12 37.48 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 -4.89 2.33 0.10 -2.67 2.01 0.16 -5.00 118.68 110.71 2k89 s LEU 102 Ca 0.22 0.74 -0.30 0.00 0.01 0.00 0.00 54.13 54.80 2k89 s LEU 102 Cb -0.10 -3.08 -0.05 0.00 0.01 0.00 0.00 46.19 42.97 2k89 s LEU 102 CO 0.46 -2.31 0.97 0.21 1.01 0.00 0.00 176.35 176.69 2k89 s ASN 103 N -4.45 7.47 0.11 2.29 2.47 -1.26 -4.78 114.94 116.78 2k89 s ASN 103 Ca 0.65 1.78 0.07 0.00 0.42 0.00 0.00 52.86 55.78 2k89 s ASN 103 Cb -0.11 -2.59 0.36 0.00 -1.45 0.00 0.00 41.25 37.46 2k89 s ASN 103 CO 0.51 -0.10 1.17 -2.65 -3.72 0.00 0.00 177.10 172.31 2k89 n PRO 104 N 2.95 0.04 0.24 0.43 -0.02 -1.26 -0.26 135.00 137.11 2k89 n PRO 104 Ca 0.03 0.52 0.11 0.00 -2.02 0.00 0.00 63.50 62.13 2k89 n PRO 104 Cb 0.49 -1.68 0.57 0.00 -0.02 0.00 0.00 33.50 32.85 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 -2.72 114.93 113.70 2k89 h MET 105 Ca 0.00 0.00 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 2k89 h MET 105 Cb 0.09 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 2k89 h MET 105 CO 0.00 0.19 -0.19 0.74 0.23 0.00 0.00 176.91 177.88 2k89 h PHE 106 N 0.00 0.00 -0.83 1.39 0.04 -1.02 -3.32 116.94 113.20 2k89 h PHE 106 Ca -0.00 0.00 0.13 0.00 2.80 0.00 0.00 57.97 60.90 2k89 h PHE 106 Cb 0.58 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.64 2k89 h PHE 106 CO 0.00 0.12 0.43 1.25 -0.60 0.00 0.00 178.31 179.51 2k89 h LEU 107 N 0.00 0.53 -0.32 1.54 5.85 -1.60 -0.74 115.31 120.57 2k89 h LEU 107 Ca -0.00 0.08 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2k89 h LEU 107 Cb 1.09 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2k89 h LEU 107 CO 0.02 0.24 0.05 -0.78 -0.34 0.00 0.00 178.44 177.63 2k89 h ASP 108 N 0.64 0.51 -0.50 1.25 3.58 -1.75 -1.18 116.42 118.97 2k89 h ASP 108 Ca 0.44 -0.26 -0.11 0.00 0.42 0.00 0.00 57.03 57.52 2k89 h ASP 108 Cb 0.58 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.48 2k89 h ASP 108 CO -0.34 0.64 -0.12 0.06 -2.88 0.00 0.00 179.24 176.59 2k89 h GLN 109 N 0.36 0.96 -0.15 0.28 3.07 -1.38 -0.38 115.11 117.87 2k89 h GLN 109 Ca 0.10 -0.37 -0.07 0.00 0.09 0.00 0.00 58.65 58.40 2k89 h GLN 109 Cb 0.34 -0.05 -0.00 0.00 0.08 0.00 0.00 27.48 27.85 2k89 h GLN 109 CO 0.01 1.04 -0.18 -0.39 0.09 0.00 0.00 178.83 179.39 2k89 h VAL 110 N 0.82 1.35 -0.59 1.86 -1.51 -1.22 -2.67 116.25 114.29 2k89 h VAL 110 Ca 0.13 -1.37 -0.02 0.00 -1.23 0.00 0.00 66.70 64.20 2k89 h VAL 110 Cb 0.68 1.91 -0.03 0.00 -2.13 0.00 0.00 31.29 31.72 2k89 h VAL 110 CO 0.05 0.40 0.28 0.00 -1.23 0.00 0.00 177.57 177.07 2k89 h ALA 111 N 0.60 0.76 -0.53 5.19 0.00 -1.07 -0.02 119.26 124.18 2k89 h ALA 111 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 2k89 h ALA 111 Cb 0.73 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 2k89 h ALA 111 CO 0.04 0.33 0.10 0.87 0.00 0.00 0.00 179.25 180.59 2k89 h LYS 112 N 0.80 0.83 -0.32 0.00 1.79 -1.12 0.75 116.57 119.30 2k89 h LYS 112 Ca 0.20 -0.18 -0.14 0.00 -2.18 0.00 0.00 60.65 58.35 2k89 h LYS 112 Cb 0.13 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.65 2k89 h LYS 112 CO -0.02 0.77 -0.35 0.35 -1.08 0.00 0.00 179.45 179.12 2k89 h PHE 113 N 0.79 0.85 -0.75 -1.35 3.04 -1.10 -0.87 116.94 117.55 2k89 h PHE 113 Ca 0.17 -0.23 0.06 0.00 3.98 0.00 0.00 57.97 61.95 2k89 h PHE 113 Cb 0.34 -0.19 -0.06 0.00 2.56 0.00 0.00 35.95 38.60 2k89 h PHE 113 CO 0.02 0.97 0.44 0.82 -2.02 0.00 0.00 178.31 178.54 2k89 h ILE 114 N 0.60 0.99 -0.26 1.41 2.04 -0.24 -2.10 117.51 119.95 2k89 h ILE 114 Ca 0.06 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 2k89 h ILE 114 Cb 0.88 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 37.07 2k89 h ILE 114 CO 0.08 0.14 0.14 0.40 0.00 0.00 0.00 178.15 178.91 2k89 h ILE 115 N 0.79 1.12 -0.91 -0.67 2.04 -0.43 -2.65 117.51 116.80 2k89 h ILE 115 Ca 0.33 -0.31 0.17 0.00 1.00 0.00 0.00 64.86 66.05 2k89 h ILE 115 Cb 0.20 0.86 -0.07 0.00 -0.74 0.00 0.00 36.82 37.06 2k89 h ILE 115 CO -0.19 0.12 0.59 0.44 0.00 0.00 0.00 178.15 179.11 2k89 h ASP 116 N 0.30 0.59 0.32 1.72 3.32 -0.56 0.48 116.42 122.59 2k89 h ASP 116 Ca 0.09 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 2k89 h ASP 116 Cb 0.06 -0.06 -0.00 0.00 0.22 0.00 0.00 39.33 39.55 2k89 h ASP 116 CO -0.01 0.27 -0.04 -1.13 -1.72 0.00 0.00 179.24 176.60 2k89 h ASN 117 N 0.60 0.00 -0.06 6.45 -1.24 -1.03 -1.88 115.58 118.43 2k89 h ASN 117 Ca 0.47 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.48 2k89 h ASN 117 Cb 0.89 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.94 2k89 h ASN 117 CO -0.22 0.04 0.00 0.35 -1.29 0.00 0.00 177.43 176.31 2k89 n THR 118 N -3.36 0.38 -4.00 -3.57 -2.24 0.85 -4.64 114.28 97.69 2k89 n THR 118 Ca -0.02 -0.69 -0.26 0.00 -2.27 0.00 0.00 64.05 60.81 2k89 n THR 118 Cb 0.17 0.87 -0.04 0.00 -2.10 0.00 0.00 70.33 69.24 2k89 n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k89 s LYS 119 N -0.63 2.28 0.88 -0.78 2.20 0.13 -4.90 119.74 118.91 2k89 s LYS 119 Ca 0.07 -1.93 -0.15 0.00 -0.36 0.00 0.00 55.97 53.60 2k89 s LYS 119 Cb 0.05 -2.05 0.22 0.00 -1.51 0.00 0.00 37.83 34.54 2k89 s LYS 119 CO 0.06 -0.38 0.63 0.41 -0.36 0.00 0.00 175.35 175.72 2k89 n GLY 120 N -1.53 -3.30 5.00 5.54 0.00 -1.26 -1.58 105.19 108.07 2k89 n GLY 120 Ca -0.02 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.63 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 -4.08 0.00 0.03 1.61 0.00 0.20 -4.03 117.38 111.11 2k89 n GLN 121 Ca 0.09 0.00 -0.20 0.00 -0.00 0.00 0.00 57.00 56.89 2k89 n GLN 121 Cb 0.38 0.00 -0.14 0.00 0.00 0.00 0.00 30.24 30.48 2k89 n GLN 121 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 2k89 h MET 122 N 0.00 0.27 0.00 3.69 4.05 -1.73 -3.25 114.93 117.96 2k89 h MET 122 Ca 0.00 -0.46 -0.20 0.00 -0.28 0.00 0.00 59.70 58.75 2k89 h MET 122 Cb 0.00 0.17 -0.03 0.00 -0.80 0.00 0.00 31.60 30.94 2k89 h MET 122 CO 0.00 1.22 -1.62 -0.11 0.23 0.00 0.00 176.91 176.63 2k89 n LEU 123 N -4.13 1.02 0.08 3.39 -0.00 -1.00 -4.63 117.00 111.73 2k89 n LEU 123 Ca -0.16 0.17 0.13 0.00 -0.00 0.00 0.00 56.01 56.16 2k89 n LEU 123 Cb 0.81 -0.41 0.45 0.00 -0.00 0.00 0.00 43.42 44.27 2k89 n LEU 123 CO 0.46 0.20 0.90 0.61 -0.00 0.00 0.00 177.39 179.56 2k89 n GLY 124 N 2.19 -1.63 5.18 -3.96 0.00 -0.61 -4.94 105.19 101.42 2k89 n GLY 124 Ca -0.25 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.09 0.00 -0.71 0.99 4.32 -1.23 -4.62 117.00 113.67 2k89 n LEU 125 Ca 0.06 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 56.05 2k89 n LEU 125 Cb 0.39 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.19 2k89 n LEU 125 CO 0.29 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 177.07 2k89 n GLY 126 N 0.00 0.52 3.38 -0.72 0.00 -1.26 -0.62 105.19 106.48 2k89 n GLY 126 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2k89 n GLY 126 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k89 s ASN 127 N -2.54 5.44 0.00 1.61 -0.87 -1.26 -4.96 114.94 112.35 2k89 s ASN 127 Ca 0.00 -0.76 0.23 0.00 -1.57 0.00 0.00 52.86 50.76 2k89 s ASN 127 Cb 0.00 -1.96 1.36 0.00 -0.02 0.00 0.00 41.25 40.64 2k89 s ASN 127 CO 0.00 -0.25 1.74 -2.65 -2.57 0.00 0.00 177.10 173.36