#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k89 s ASN 50 N 0.00 5.17 -0.58 0.00 -0.87 -1.26 -4.94 114.94 112.46 2k89 s ASN 50 Ca 0.00 -1.91 0.00 0.00 -1.57 0.00 0.00 52.86 49.38 2k89 s ASN 50 Cb 0.00 -1.80 0.47 0.00 -0.02 0.00 0.00 41.25 39.90 2k89 s ASN 50 CO 0.00 -0.49 1.88 0.00 -2.57 0.00 0.00 177.10 175.92 2k89 n GLN 51 N 4.58 2.80 -2.75 -0.60 6.02 -1.26 -4.91 117.38 121.27 2k89 n GLN 51 Ca -0.03 -3.42 -0.06 0.00 -0.01 0.00 0.00 57.00 53.47 2k89 n GLN 51 Cb 0.42 -2.27 0.01 0.00 1.02 0.00 0.00 30.24 29.41 2k89 n GLN 51 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 2k89 n GLN 52 N -0.90 -2.42 0.00 -1.09 7.27 -1.26 -5.06 117.38 113.91 2k89 n GLN 52 Ca 0.59 2.14 0.00 0.00 0.07 0.00 0.00 57.00 59.80 2k89 n GLN 52 Cb 0.78 -5.38 0.00 0.00 2.41 0.00 0.00 30.24 28.05 2k89 n GLN 52 CO 0.00 0.00 0.00 2.41 0.07 0.00 0.00 177.06 179.54 2k89 n THR 53 N -0.15 0.00 0.56 1.69 -1.04 -1.26 -4.84 114.28 109.24 2k89 n THR 53 Ca 0.09 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.23 2k89 n THR 53 Cb 0.36 0.00 0.43 0.00 -1.82 0.00 0.00 70.33 69.30 2k89 n THR 53 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2k89 n SER 54 N 0.00 0.79 0.00 8.00 7.64 -1.26 -4.99 113.62 123.80 2k89 n SER 54 Ca 0.00 0.60 0.00 0.00 1.01 0.00 0.00 58.87 60.48 2k89 n SER 54 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 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 0.95 1.93 3.25 0.23 0.00 -1.26 -5.00 105.19 105.29 2k89 n GLY 55 Ca 0.05 -1.39 -0.33 0.00 0.00 0.00 0.00 46.02 44.34 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 -5.08 3.18 -0.17 1.61 -0.14 -1.26 -4.41 119.74 113.48 2k89 s LYS 56 Ca 0.00 -0.77 -0.16 0.00 -1.36 0.00 0.00 55.97 53.68 2k89 s LYS 56 Cb 0.00 -2.59 -0.04 0.00 -1.68 0.00 0.00 37.83 33.51 2k89 s LYS 56 CO 0.00 0.01 0.39 0.08 -0.76 0.00 0.00 175.35 175.07 2k89 s VAL 57 N 0.82 5.22 -0.40 3.17 1.01 0.38 -4.83 120.40 125.78 2k89 s VAL 57 Ca -0.05 0.73 -0.18 0.00 0.00 0.00 0.00 61.98 62.48 2k89 s VAL 57 Cb -0.15 -3.73 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2k89 s VAL 57 CO -0.00 0.30 0.50 -0.22 0.00 0.00 0.00 175.10 175.68 2k89 s LEU 58 N 0.94 4.59 -0.25 3.92 2.96 -1.26 -0.58 118.68 129.00 2k89 s LEU 58 Ca 0.20 -0.37 -0.03 0.00 -0.22 0.00 0.00 54.13 53.72 2k89 s LEU 58 Cb -0.14 -2.52 0.02 0.00 0.50 0.00 0.00 46.19 44.05 2k89 s LEU 58 CO 0.07 -0.57 -0.04 -0.72 -1.32 0.00 0.00 176.35 173.77 2k89 s TYR 59 N 2.36 3.06 0.00 5.38 1.13 0.93 -4.69 117.35 125.51 2k89 s TYR 59 Ca 0.16 -1.41 0.00 0.00 -1.41 0.00 0.00 57.07 54.41 2k89 s TYR 59 Cb -0.16 -2.09 0.00 0.00 -1.10 0.00 0.00 41.96 38.61 2k89 s TYR 59 CO 0.15 -0.69 0.00 0.39 -2.51 0.00 0.00 175.55 172.89 2k89 n GLU 60 N 4.71 -0.22 0.00 -3.49 -0.58 -1.26 -1.45 120.64 118.35 2k89 n GLU 60 Ca -0.16 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 2k89 n GLU 60 Cb 0.48 -4.34 0.00 0.00 -0.57 0.00 0.00 31.44 27.01 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 -1.50 1.22 3.92 0.62 0.00 -1.26 -5.13 105.19 103.05 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 3.49 -0.13 1.61 2.20 -0.53 -5.06 119.74 121.32 2k89 s LYS 62 Ca 0.00 -0.37 -0.01 0.00 -0.36 0.00 0.00 55.97 55.23 2k89 s LYS 62 Cb 0.00 -2.95 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 2k89 s LYS 62 CO 0.00 0.53 -0.12 -1.21 -0.36 0.00 0.00 175.35 174.19 2k89 s GLU 63 N -2.79 3.42 0.32 4.03 2.02 -1.26 -0.05 118.70 124.40 2k89 s GLU 63 Ca 0.37 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.72 2k89 s GLU 63 Cb -0.12 -2.67 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2k89 s GLU 63 CO 0.27 0.21 0.11 -0.06 0.02 0.00 0.00 175.26 175.82 2k89 s PHE 64 N 0.38 1.71 0.00 1.61 0.08 0.25 -4.91 117.98 117.10 2k89 s PHE 64 Ca -0.10 -1.21 0.00 0.00 0.12 0.00 0.00 56.93 55.75 2k89 s PHE 64 Cb -0.16 -1.04 0.00 0.00 -0.57 0.00 0.00 43.02 41.26 2k89 s PHE 64 CO 0.05 -0.30 0.68 -0.25 -0.10 0.00 0.00 175.22 175.30 2k89 n ASP 65 N -0.84 0.00 -3.90 1.36 9.92 -1.23 0.14 116.55 122.00 2k89 n ASP 65 Ca -0.02 0.78 -0.28 0.00 -0.53 0.00 0.00 54.79 54.74 2k89 n ASP 65 Cb 0.66 -0.40 -0.17 0.00 -0.64 0.00 0.00 41.12 40.57 2k89 n ASP 65 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2k89 s TYR 66 N -2.17 1.71 0.04 1.24 2.02 0.38 -3.07 117.35 117.51 2k89 s TYR 66 Ca 0.00 -1.04 0.04 0.00 -0.37 0.00 0.00 57.07 55.70 2k89 s TYR 66 Cb 0.00 -1.32 -0.04 0.00 -0.40 0.00 0.00 41.96 40.20 2k89 s TYR 66 CO 0.00 -0.60 -0.04 0.14 -1.57 0.00 0.00 175.55 173.48 2k89 s VAL 67 N 1.63 3.80 0.17 0.71 -7.23 -1.26 -0.34 120.40 117.90 2k89 s VAL 67 Ca 0.02 -0.89 -0.03 0.00 -1.81 0.00 0.00 61.98 59.27 2k89 s VAL 67 Cb -0.15 -2.73 -0.05 0.00 0.56 0.00 0.00 36.38 34.01 2k89 s VAL 67 CO -0.08 0.26 0.39 0.12 -0.31 0.00 0.00 175.10 175.48 2k89 s PHE 68 N -1.14 3.48 -0.28 2.82 5.36 0.32 -4.80 117.98 123.74 2k89 s PHE 68 Ca 0.21 0.47 -0.14 0.00 -0.96 0.00 0.00 56.93 56.50 2k89 s PHE 68 Cb -0.11 -1.94 -0.04 0.00 -0.34 0.00 0.00 43.02 40.59 2k89 s PHE 68 CO 0.12 0.40 0.34 -1.12 -1.46 0.00 0.00 175.22 173.51 2k89 s SER 69 N -2.75 6.21 -0.16 6.13 0.01 -1.26 0.05 113.70 121.92 2k89 s SER 69 Ca 0.40 0.19 0.01 0.00 1.31 0.00 0.00 55.95 57.86 2k89 s SER 69 Cb -0.12 -2.19 0.02 0.00 0.21 0.00 0.00 66.02 63.94 2k89 s SER 69 CO 0.27 -0.18 -0.17 -0.63 0.41 0.00 0.00 173.24 172.94 2k89 s ILE 70 N 2.02 1.83 -0.27 1.44 1.01 0.15 -4.98 121.20 122.40 2k89 s ILE 70 Ca 0.13 -0.79 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 2k89 s ILE 70 Cb -0.16 -1.67 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 2k89 s ILE 70 CO 0.10 0.50 0.17 -1.81 0.00 0.00 0.00 174.94 173.90 2k89 s ASP 71 N 1.35 5.87 -0.05 3.58 1.01 -1.26 -1.02 116.67 126.15 2k89 s ASP 71 Ca 0.04 -0.04 0.06 0.00 0.71 0.00 0.00 52.55 53.32 2k89 s ASP 71 Cb -0.13 -2.09 -0.24 0.00 1.01 0.00 0.00 42.92 41.47 2k89 s ASP 71 CO -0.11 -0.05 0.62 1.62 0.21 0.00 0.00 175.17 177.47 2k89 h VAL 72 N 5.39 0.84 -3.93 -1.27 3.04 -1.88 -3.47 116.25 114.97 2k89 h VAL 72 Ca -0.36 -2.64 -0.41 0.00 -1.01 0.00 0.00 66.70 62.28 2k89 h VAL 72 Cb 1.19 2.49 -0.21 0.00 -2.01 0.00 0.00 31.29 32.74 2k89 h VAL 72 CO 0.56 0.64 -0.78 0.20 -1.01 0.00 0.00 177.57 177.18 2k89 s ASN 73 N -6.44 1.68 0.15 3.17 0.02 -1.26 -5.06 114.94 107.20 2k89 s ASN 73 Ca -0.09 -0.62 -0.31 0.00 -1.02 0.00 0.00 52.86 50.81 2k89 s ASN 73 Cb 0.08 -0.05 -0.11 0.00 0.02 0.00 0.00 41.25 41.19 2k89 s ASN 73 CO 0.81 -0.08 1.78 -0.70 0.02 0.00 0.00 177.10 178.93 2k89 s GLU 74 N -1.78 4.14 0.00 -0.60 2.12 -1.26 -2.02 118.70 119.30 2k89 s GLU 74 Ca -0.02 2.57 0.00 0.00 0.36 0.00 0.00 54.97 57.89 2k89 s GLU 74 Cb -0.10 -3.42 0.00 0.00 0.26 0.00 0.00 34.13 30.87 2k89 s GLU 74 CO 0.02 -0.80 0.00 0.41 -0.54 0.00 0.00 175.26 174.35 2k89 n GLY 75 N 4.12 2.58 0.00 -1.50 0.00 -1.26 -4.89 105.19 104.24 2k89 n GLY 75 Ca 0.17 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 0.29 3.82 -0.02 0.00 -0.86 -4.76 105.19 103.67 2k89 n GLY 76 Ca 0.00 -1.23 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 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 -2.00 3.63 -0.41 1.61 0.04 -1.26 -4.01 135.00 132.59 2k89 s PRO 77 Ca 0.00 1.08 -0.28 0.00 0.04 0.00 0.00 61.00 61.84 2k89 s PRO 77 Cb 0.00 -2.08 0.02 0.00 0.04 0.00 0.00 34.50 32.48 2k89 s PRO 77 CO 0.00 -0.54 1.07 -1.12 0.04 0.00 0.00 177.00 176.44 2k89 s SER 78 N -2.94 6.71 0.20 6.66 0.01 -1.26 -4.25 113.70 118.83 2k89 s SER 78 Ca 0.61 0.61 0.06 0.00 1.31 0.00 0.00 55.95 58.55 2k89 s SER 78 Cb -0.13 -2.52 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 2k89 s SER 78 CO 0.34 -1.07 0.13 -0.31 0.41 0.00 0.00 173.24 172.74 2k89 s TYR 79 N 4.01 3.06 0.03 2.43 2.02 -0.19 -4.99 117.35 123.72 2k89 s TYR 79 Ca 0.45 -0.08 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 2k89 s TYR 79 Cb -0.10 -1.43 -0.02 0.00 -0.40 0.00 0.00 41.96 40.02 2k89 s TYR 79 CO 0.25 0.53 -0.08 0.15 -1.57 0.00 0.00 175.55 174.83 2k89 s LYS 80 N -3.39 0.54 -0.54 -0.62 -0.14 -1.26 0.33 119.74 114.65 2k89 s LYS 80 Ca 0.31 -0.64 -0.05 0.00 -1.36 0.00 0.00 55.97 54.23 2k89 s LYS 80 Cb -0.09 -0.37 0.14 0.00 -1.68 0.00 0.00 37.83 35.83 2k89 s LYS 80 CO 0.23 0.08 0.37 -1.17 -0.76 0.00 0.00 175.35 174.10 2k89 s LEU 81 N -1.25 5.45 0.18 3.17 0.20 0.11 -4.87 118.68 121.67 2k89 s LEU 81 Ca -0.07 -2.41 -0.30 0.00 0.69 0.00 0.00 54.13 52.04 2k89 s LEU 81 Cb -0.08 -1.90 -0.09 0.00 -0.43 0.00 0.00 46.19 43.69 2k89 s LEU 81 CO 0.00 -0.50 1.36 -2.84 -0.29 0.00 0.00 176.35 174.08 2k89 s PRO 82 N 0.60 4.34 -0.05 0.98 0.02 -1.26 -0.52 135.00 139.11 2k89 s PRO 82 Ca 0.12 2.11 -0.02 0.00 0.02 0.00 0.00 61.00 63.23 2k89 s PRO 82 Cb -0.21 -3.19 0.04 0.00 0.02 0.00 0.00 34.50 31.15 2k89 s PRO 82 CO -0.04 -0.34 0.09 -0.47 -0.33 0.00 0.00 177.00 175.91 2k89 s TYR 83 N 0.39 -0.05 -0.18 6.54 5.04 0.54 -4.93 117.35 124.71 2k89 s TYR 83 Ca 0.60 0.35 -0.10 0.00 -2.44 0.00 0.00 57.07 55.47 2k89 s TYR 83 Cb -0.38 -0.28 -0.05 0.00 0.35 0.00 0.00 41.96 41.61 2k89 s TYR 83 CO 0.37 -0.17 0.16 0.54 -1.34 0.00 0.00 175.55 175.11 2k89 s ASN 84 N 1.67 6.28 0.01 4.32 6.03 -1.26 -0.47 114.94 131.52 2k89 s ASN 84 Ca -0.02 0.32 0.05 0.00 -1.03 0.00 0.00 52.86 52.18 2k89 s ASN 84 Cb -0.12 -2.11 0.23 0.00 -3.03 0.00 0.00 41.25 36.22 2k89 s ASN 84 CO -0.04 0.20 1.17 0.35 -2.03 0.00 0.00 177.10 176.75 2k89 n THR 85 N 3.28 1.64 0.92 0.54 -2.24 -1.26 -1.81 114.28 115.35 2k89 n THR 85 Ca -0.16 0.42 0.14 0.00 -2.27 0.00 0.00 64.05 62.17 2k89 n THR 85 Cb 0.52 -1.33 0.56 0.00 -2.10 0.00 0.00 70.33 67.98 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 -1.51 0.20 -4.88 3.42 3.41 -1.26 -4.89 113.62 108.10 2k89 n SER 86 Ca 0.01 0.48 -0.25 0.00 -0.26 0.00 0.00 58.87 58.85 2k89 n SER 86 Cb 0.06 -0.53 -0.02 0.00 -0.26 0.00 0.00 64.21 63.47 2k89 n SER 86 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2k89 s ASP 87 N -3.33 4.67 0.18 4.04 1.01 -0.75 -5.12 116.67 117.36 2k89 s ASP 87 Ca 0.13 -1.16 -0.21 0.00 0.71 0.00 0.00 52.55 52.02 2k89 s ASP 87 Cb 0.17 0.19 -0.08 0.00 1.01 0.00 0.00 42.92 44.22 2k89 s ASP 87 CO 0.55 -0.99 0.71 -0.62 0.21 0.00 0.00 175.17 175.03 2k89 s ASP 88 N -4.22 7.14 0.11 0.27 2.15 -1.26 -4.98 116.67 115.88 2k89 s ASP 88 Ca 0.37 1.44 -0.16 0.00 0.43 0.00 0.00 52.55 54.63 2k89 s ASP 88 Cb -0.02 -2.43 -0.04 0.00 -0.30 0.00 0.00 42.92 40.13 2k89 s ASP 88 CO 0.22 0.12 1.55 -0.65 -0.17 0.00 0.00 175.17 176.25 2k89 h PRO 89 N 3.86 0.60 -0.62 4.34 0.11 -1.92 0.18 132.00 138.55 2k89 h PRO 89 Ca -0.48 -0.19 -0.03 0.00 0.11 0.00 0.00 66.00 65.41 2k89 h PRO 89 Cb 1.20 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.23 2k89 h PRO 89 CO 0.65 0.72 0.26 2.35 -0.21 0.00 0.00 178.00 181.77 2k89 h TRP 90 N 0.41 0.89 -0.14 0.65 7.01 -1.91 0.53 115.95 123.40 2k89 h TRP 90 Ca 0.10 -0.04 -0.08 0.00 2.11 0.00 0.00 58.89 60.97 2k89 h TRP 90 Cb 0.44 -0.28 0.00 0.00 -2.10 0.00 0.00 29.16 27.23 2k89 h TRP 90 CO 0.04 0.68 -0.24 -0.07 -2.79 0.00 0.00 178.44 176.05 2k89 h LEU 91 N 0.88 0.45 -0.16 0.65 3.38 -1.92 -0.85 115.31 117.73 2k89 h LEU 91 Ca 0.21 -0.54 -0.01 0.00 0.09 0.00 0.00 57.88 57.63 2k89 h LEU 91 Cb 0.15 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k89 h LEU 91 CO -0.02 0.90 0.06 0.74 0.09 0.00 0.00 178.44 180.21 2k89 h THR 92 N 0.00 1.16 -0.78 0.22 2.02 -0.19 0.13 112.91 115.47 2k89 h THR 92 Ca 0.01 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.69 2k89 h THR 92 Cb 0.82 1.18 -0.04 0.00 -1.74 0.00 0.00 68.15 68.38 2k89 h THR 92 CO 0.05 0.15 0.40 0.00 0.37 0.00 0.00 175.52 176.49 2k89 h ALA 93 N 0.90 1.01 -0.62 6.16 0.00 -0.03 -1.91 119.26 124.76 2k89 h ALA 93 Ca 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 2k89 h ALA 93 Cb 0.18 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 2k89 h ALA 93 CO -0.00 0.54 0.14 -0.92 0.00 0.00 0.00 179.25 179.01 2k89 h TYR 94 N 1.09 1.06 -0.30 0.00 5.03 -0.86 0.15 116.97 123.13 2k89 h TYR 94 Ca 0.27 -0.13 0.02 0.00 2.58 0.00 0.00 58.73 61.47 2k89 h TYR 94 Cb 0.08 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 38.03 2k89 h TYR 94 CO 0.01 0.89 0.15 -0.97 -1.32 0.00 0.00 178.16 176.92 2k89 h ASN 95 N 0.92 0.22 -0.40 -2.11 -1.24 -0.34 0.12 115.58 112.75 2k89 h ASN 95 Ca 0.19 0.01 -0.14 0.00 0.71 0.00 0.00 56.30 57.08 2k89 h ASN 95 Cb 0.38 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.39 2k89 h ASN 95 CO 0.01 0.16 -0.27 0.15 -1.29 0.00 0.00 177.43 176.19 2k89 h PHE 96 N 0.31 1.08 -0.22 0.67 3.57 -1.14 -0.65 116.94 120.56 2k89 h PHE 96 Ca 0.12 -0.28 -0.00 0.00 3.53 0.00 0.00 57.97 61.35 2k89 h PHE 96 Cb 0.04 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.53 2k89 h PHE 96 CO -0.10 1.08 0.13 1.25 -2.23 0.00 0.00 178.31 178.45 2k89 h LEU 97 N 0.79 0.26 -0.55 0.59 5.85 -0.25 -0.42 115.31 121.57 2k89 h LEU 97 Ca 0.09 -0.04 -0.15 0.00 0.84 0.00 0.00 57.88 58.62 2k89 h LEU 97 Cb 0.84 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 2k89 h LEU 97 CO 0.07 0.22 -0.46 0.06 -0.34 0.00 0.00 178.44 178.00 2k89 h GLN 98 N 0.27 0.65 -0.48 1.25 3.07 -0.75 0.40 115.11 119.53 2k89 h GLN 98 Ca 0.08 -0.36 -0.00 0.00 0.09 0.00 0.00 58.65 58.45 2k89 h GLN 98 Cb 0.01 0.02 -0.02 0.00 0.08 0.00 0.00 27.48 27.56 2k89 h GLN 98 CO -0.02 0.97 0.28 -0.22 0.09 0.00 0.00 178.83 179.94 2k89 h LYS 99 N 0.52 0.65 -0.01 0.06 3.64 -0.78 -2.87 116.57 117.79 2k89 h LYS 99 Ca 0.03 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2k89 h LYS 99 Cb 0.99 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.68 2k89 h LYS 99 CO 0.09 0.49 -0.46 -1.71 -2.27 0.00 0.00 179.45 175.58 2k89 n ASN 100 N -4.70 1.67 -2.53 4.20 5.15 -0.20 -4.96 115.26 113.88 2k89 n ASN 100 Ca 0.02 -1.29 -0.13 0.00 -0.60 0.00 0.00 54.58 52.57 2k89 n ASN 100 Cb 0.06 0.43 0.05 0.00 -0.53 0.00 0.00 39.78 39.79 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 -0.33 -3.60 -4.89 1.20 8.00 0.15 -5.03 116.55 112.05 2k89 n ASP 101 Ca 0.09 -0.37 -0.28 0.00 0.71 0.00 0.00 54.79 54.94 2k89 n ASP 101 Cb 0.43 -3.45 0.09 0.00 -0.02 0.00 0.00 41.12 38.16 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 -4.96 2.57 0.24 0.64 2.01 0.12 -5.00 118.68 114.29 2k89 s LEU 102 Ca 0.21 0.70 -0.30 0.00 0.01 0.00 0.00 54.13 54.76 2k89 s LEU 102 Cb -0.09 -3.21 -0.09 0.00 0.01 0.00 0.00 46.19 42.81 2k89 s LEU 102 CO 0.47 -1.87 0.99 0.21 1.01 0.00 0.00 176.35 177.16 2k89 s ASN 103 N -4.58 7.53 0.11 2.29 3.84 -1.26 -4.78 114.94 118.09 2k89 s ASN 103 Ca 0.62 2.02 0.07 0.00 0.21 0.00 0.00 52.86 55.79 2k89 s ASN 103 Cb -0.11 -2.61 0.40 0.00 -0.55 0.00 0.00 41.25 38.38 2k89 s ASN 103 CO 0.48 0.05 1.22 -2.65 -2.79 0.00 0.00 177.10 173.42 2k89 n PRO 104 N 1.54 0.05 0.25 0.43 -0.02 -1.26 -0.52 135.00 135.48 2k89 n PRO 104 Ca -0.01 0.54 0.14 0.00 -2.02 0.00 0.00 63.50 62.15 2k89 n PRO 104 Cb 0.47 -1.65 0.60 0.00 -0.02 0.00 0.00 33.50 32.89 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 -1.53 -2.04 -2.97 114.93 107.86 2k89 h MET 105 Ca 0.00 0.00 -0.04 0.00 -3.44 0.00 0.00 59.70 56.22 2k89 h MET 105 Cb 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 31.05 2k89 h MET 105 CO 0.00 0.11 -0.56 0.74 0.14 0.00 0.00 176.91 177.35 2k89 h PHE 106 N 0.00 0.00 -0.53 1.39 0.04 -1.19 -3.35 116.94 113.30 2k89 h PHE 106 Ca -0.00 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.86 2k89 h PHE 106 Cb 0.59 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.66 2k89 h PHE 106 CO 0.00 0.18 0.11 1.25 -0.60 0.00 0.00 178.31 179.25 2k89 h LEU 107 N 0.00 -0.00 -0.54 1.54 5.85 -1.64 -0.60 115.31 119.92 2k89 h LEU 107 Ca -0.02 0.10 -0.08 0.00 0.84 0.00 0.00 57.88 58.72 2k89 h LEU 107 Cb 1.15 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 42.30 2k89 h LEU 107 CO 0.02 0.02 0.04 -0.78 -0.34 0.00 0.00 178.44 177.40 2k89 h ASP 108 N 0.24 0.90 -0.44 1.25 3.58 -1.76 0.15 116.42 120.34 2k89 h ASP 108 Ca 0.27 -0.29 -0.06 0.00 0.42 0.00 0.00 57.03 57.37 2k89 h ASP 108 Cb 0.38 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 2k89 h ASP 108 CO -0.35 0.96 0.03 0.06 -2.88 0.00 0.00 179.24 177.06 2k89 h GLN 109 N 0.80 0.76 -0.18 0.28 3.07 -1.46 0.24 115.11 118.62 2k89 h GLN 109 Ca 0.16 -0.23 -0.07 0.00 0.09 0.00 0.00 58.65 58.60 2k89 h GLN 109 Cb 0.48 -0.08 -0.00 0.00 0.08 0.00 0.00 27.48 27.96 2k89 h GLN 109 CO 0.02 0.81 -0.18 -0.39 0.09 0.00 0.00 178.83 179.18 2k89 h VAL 110 N 0.61 1.33 -0.50 1.86 -1.51 -1.11 -2.68 116.25 114.25 2k89 h VAL 110 Ca 0.13 -1.34 -0.08 0.00 -1.23 0.00 0.00 66.70 64.18 2k89 h VAL 110 Cb 0.45 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 2k89 h VAL 110 CO 0.02 0.40 -0.03 0.00 -1.23 0.00 0.00 177.57 176.73 2k89 h ALA 111 N 0.64 1.00 -0.67 5.19 0.00 -0.85 -0.94 119.26 123.63 2k89 h ALA 111 Ca 0.03 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2k89 h ALA 111 Cb 0.72 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k89 h ALA 111 CO 0.04 0.61 0.25 0.87 0.00 0.00 0.00 179.25 181.03 2k89 h LYS 112 N 0.80 0.99 -0.35 0.00 1.79 -0.54 0.44 116.57 119.70 2k89 h LYS 112 Ca 0.15 -0.17 -0.06 0.00 -2.18 0.00 0.00 60.65 58.39 2k89 h LYS 112 Cb 0.52 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.99 2k89 h LYS 112 CO 0.03 0.81 -0.01 0.35 -1.08 0.00 0.00 179.45 179.55 2k89 h PHE 113 N 0.97 0.68 -0.63 -1.35 3.04 -1.08 -1.00 116.94 117.57 2k89 h PHE 113 Ca 0.22 -0.12 0.05 0.00 3.98 0.00 0.00 57.97 62.10 2k89 h PHE 113 Cb 0.21 -0.18 -0.05 0.00 2.56 0.00 0.00 35.95 38.49 2k89 h PHE 113 CO 0.02 0.74 0.35 0.82 -2.02 0.00 0.00 178.31 178.22 2k89 h ILE 114 N 0.43 0.99 -0.02 1.41 2.04 -0.78 -2.81 117.51 118.77 2k89 h ILE 114 Ca 0.10 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2k89 h ILE 114 Cb 0.48 0.26 -0.00 0.00 -0.74 0.00 0.00 36.82 36.82 2k89 h ILE 114 CO 0.02 0.12 0.01 0.40 0.00 0.00 0.00 178.15 178.70 2k89 h ILE 115 N 0.67 1.02 -0.88 -0.67 2.04 0.14 -3.00 117.51 116.83 2k89 h ILE 115 Ca 0.27 -0.07 0.02 0.00 1.00 0.00 0.00 64.86 66.09 2k89 h ILE 115 Cb 0.14 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.22 2k89 h ILE 115 CO -0.16 0.02 0.58 -0.78 0.00 0.00 0.00 178.15 177.81 2k89 h ASP 116 N -0.00 0.97 0.11 1.72 3.58 -0.97 1.04 116.42 122.86 2k89 h ASP 116 Ca 0.01 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.43 2k89 h ASP 116 Cb 0.02 -0.23 -0.00 0.00 1.72 0.00 0.00 39.33 40.84 2k89 h ASP 116 CO -0.00 0.68 -0.04 -1.13 -2.88 0.00 0.00 179.24 175.87 2k89 h ASN 117 N 1.14 0.00 -0.13 2.28 -1.24 -1.37 -1.75 115.58 114.50 2k89 h ASN 117 Ca 0.34 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.35 2k89 h ASN 117 Cb -0.04 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.01 2k89 h ASN 117 CO -0.09 0.04 0.00 0.35 -1.29 0.00 0.00 177.43 176.44 2k89 n THR 118 N -3.86 0.51 0.00 -3.57 -2.24 0.51 -4.36 114.28 101.27 2k89 n THR 118 Ca -0.03 -0.75 0.00 0.00 -2.27 0.00 0.00 64.05 61.00 2k89 n THR 118 Cb 0.13 0.83 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 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 0.34 0.00 0.00 -0.78 4.81 0.33 -4.91 118.16 117.95 2k89 n LYS 119 Ca 0.07 0.14 0.00 0.00 -0.87 0.00 0.00 58.31 57.64 2k89 n LYS 119 Cb 0.29 -0.61 0.00 0.00 0.02 0.00 0.00 35.03 34.73 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 1.70 1.23 0.12 3.14 0.00 -1.09 -4.73 105.19 105.58 2k89 n GLY 120 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2k89 n GLY 120 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k89 h GLN 121 N 1.23 0.27 0.10 1.61 1.08 -1.91 -3.33 115.11 114.16 2k89 h GLN 121 Ca 0.00 -0.47 -0.14 0.00 -1.45 0.00 0.00 58.65 56.59 2k89 h GLN 121 Cb 0.00 0.17 0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2k89 h GLN 121 CO 0.00 1.22 -0.60 1.98 -0.95 0.00 0.00 178.83 180.48 2k89 h MET 122 N -0.31 0.24 0.00 1.46 4.05 -1.95 -3.46 114.93 114.96 2k89 h MET 122 Ca -0.25 -0.38 0.00 0.00 -0.28 0.00 0.00 59.70 58.79 2k89 h MET 122 Cb 1.74 0.14 0.00 0.00 -0.80 0.00 0.00 31.60 32.68 2k89 h MET 122 CO 0.10 1.17 0.00 -0.11 0.23 0.00 0.00 176.91 178.30 2k89 n LEU 123 N -4.25 0.00 0.00 3.39 7.94 -1.26 -5.18 117.00 117.64 2k89 n LEU 123 Ca -0.13 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.77 2k89 n LEU 123 Cb 0.73 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.68 2k89 n LEU 123 CO 0.45 -0.44 0.00 0.61 -1.11 0.00 0.00 177.39 176.90 2k89 n GLY 124 N 3.07 0.36 0.11 -3.96 0.00 -1.25 -4.93 105.19 98.59 2k89 n GLY 124 Ca 0.00 -1.36 -0.20 0.00 0.00 0.00 0.00 46.02 44.46 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 1.92 0.00 0.99 4.32 -1.23 -4.40 117.00 118.60 2k89 n LEU 125 Ca 0.00 0.38 0.00 0.00 -0.02 0.00 0.00 56.01 56.37 2k89 n LEU 125 Cb 0.00 -0.82 0.00 0.00 -1.62 0.00 0.00 43.42 40.98 2k89 n LEU 125 CO 0.00 0.17 0.00 0.61 -1.22 0.00 0.00 177.39 176.95 2k89 n GLY 126 N 1.38 2.32 0.09 -0.72 0.00 -1.26 -4.95 105.19 102.04 2k89 n GLY 126 Ca -0.34 -0.23 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 2k89 n GLY 126 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2k89 h ASN 127 N 0.00 -0.08 -0.00 1.61 -0.26 -2.01 -3.54 115.58 111.29 2k89 h ASN 127 Ca 0.00 -0.42 0.00 0.00 -0.56 0.00 0.00 56.30 55.32 2k89 h ASN 127 Cb 0.00 0.02 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2k89 h ASN 127 CO 0.00 0.40 0.00 -2.65 -1.06 0.00 0.00 177.43 174.12