#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8a n ASN 50 N 0.00 -1.86 0.03 0.00 5.15 -1.26 -4.96 115.26 112.36 2k8a n ASN 50 Ca 0.00 0.46 -0.11 0.00 -0.60 0.00 0.00 54.58 54.33 2k8a n ASN 50 Cb 0.00 -2.38 0.01 0.00 -0.53 0.00 0.00 39.78 36.89 2k8a n ASN 50 CO 0.00 0.00 0.00 1.56 1.40 0.00 0.00 177.26 180.22 2k8a h GLN 51 N 1.33 0.49 0.00 1.20 4.20 -2.07 -3.46 115.11 116.80 2k8a h GLN 51 Ca -0.16 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.16 2k8a h GLN 51 Cb 0.36 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.22 2k8a h GLN 51 CO 0.00 1.02 0.00 0.00 -0.67 0.00 0.00 178.83 179.18 2k8a n GLN 52 N -3.87 0.00 -2.70 1.46 10.64 -1.26 -4.97 117.38 116.69 2k8a n GLN 52 Ca -0.05 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.05 2k8a n GLN 52 Cb 0.70 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 30.12 2k8a n GLN 52 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2k8a n THR 53 N 0.00 0.97 -4.15 -0.39 -1.04 -1.26 -5.10 114.28 103.30 2k8a n THR 53 Ca 0.00 -2.91 -0.25 0.00 -2.04 0.00 0.00 64.05 58.85 2k8a n THR 53 Cb 0.00 0.81 -0.06 0.00 -1.82 0.00 0.00 70.33 69.26 2k8a n THR 53 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 2k8a s SER 54 N -3.11 5.19 0.00 8.00 0.01 -1.26 -4.50 113.70 118.02 2k8a s SER 54 Ca 0.26 -0.31 0.00 0.00 1.31 0.00 0.00 55.95 57.22 2k8a s SER 54 Cb 0.43 -1.23 0.00 0.00 0.21 0.00 0.00 66.02 65.43 2k8a s SER 54 CO 0.02 0.03 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2k8a n GLY 55 N -0.62 0.23 3.94 3.44 0.00 -1.26 -4.76 105.19 106.16 2k8a n GLY 55 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 2k8a n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k8a s LYS 56 N -0.93 3.16 -0.18 1.61 3.01 -1.26 -4.90 119.74 120.25 2k8a s LYS 56 Ca 0.00 -0.34 -0.03 0.00 -1.01 0.00 0.00 55.97 54.60 2k8a s LYS 56 Cb 0.00 -2.52 -0.01 0.00 -1.01 0.00 0.00 37.83 34.28 2k8a s LYS 56 CO 0.00 -0.25 -0.07 0.08 0.51 0.00 0.00 175.35 175.62 2k8a s VAL 57 N -2.59 3.38 -0.33 3.17 1.01 0.84 -4.95 120.40 120.94 2k8a s VAL 57 Ca 0.48 -0.52 -0.17 0.00 0.00 0.00 0.00 61.98 61.77 2k8a s VAL 57 Cb -0.10 -2.49 -0.01 0.00 0.00 0.00 0.00 36.38 33.78 2k8a s VAL 57 CO 0.39 0.47 0.44 -0.22 0.00 0.00 0.00 175.10 176.18 2k8a s LEU 58 N 0.86 4.32 -0.24 3.92 2.96 -1.26 0.19 118.68 129.42 2k8a s LEU 58 Ca -0.02 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2k8a s LEU 58 Cb -0.15 -2.47 0.03 0.00 0.50 0.00 0.00 46.19 44.10 2k8a s LEU 58 CO 0.01 -0.37 -0.07 -0.72 -1.32 0.00 0.00 176.35 173.87 2k8a s TYR 59 N 2.20 3.06 -1.51 5.38 1.13 0.23 -4.68 117.35 123.16 2k8a s TYR 59 Ca 0.16 -1.60 0.00 0.00 -1.41 0.00 0.00 57.07 54.22 2k8a s TYR 59 Cb -0.16 -2.04 0.00 0.00 -1.10 0.00 0.00 41.96 38.66 2k8a s TYR 59 CO 0.12 -0.74 0.00 0.39 -2.51 0.00 0.00 175.55 172.81 2k8a n GLU 60 N 4.65 -1.43 0.00 -3.49 -0.58 -1.26 -0.66 120.64 117.87 2k8a n GLU 60 Ca -0.17 0.84 0.00 0.00 -0.42 0.00 0.00 57.16 57.42 2k8a n GLU 60 Cb 0.47 -5.17 0.00 0.00 -0.57 0.00 0.00 31.44 26.17 2k8a n GLU 60 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k8a n GLY 61 N -0.36 1.10 3.28 0.62 0.00 -1.26 -5.10 105.19 103.46 2k8a n GLY 61 Ca -0.15 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.64 2k8a n GLY 61 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k8a s LYS 62 N -0.68 1.11 -0.18 1.61 2.20 0.17 -5.12 119.74 118.84 2k8a s LYS 62 Ca 0.00 -1.18 -0.07 0.00 -0.36 0.00 0.00 55.97 54.36 2k8a s LYS 62 Cb 0.00 -1.30 -0.04 0.00 -1.51 0.00 0.00 37.83 34.98 2k8a s LYS 62 CO 0.00 0.29 0.07 -1.21 -0.36 0.00 0.00 175.35 174.14 2k8a s GLU 63 N -2.04 3.93 0.23 4.03 2.02 -1.26 0.78 118.70 126.39 2k8a s GLU 63 Ca 0.07 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.73 2k8a s GLU 63 Cb -0.09 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.90 2k8a s GLU 63 CO 0.04 0.31 0.17 -0.06 0.02 0.00 0.00 175.26 175.75 2k8a s PHE 64 N 0.26 1.26 0.00 1.61 0.08 0.13 -4.97 117.98 116.34 2k8a s PHE 64 Ca 0.04 -1.42 -0.02 0.00 0.12 0.00 0.00 56.93 55.65 2k8a s PHE 64 Cb -0.12 -0.57 -0.01 0.00 -0.57 0.00 0.00 43.02 41.75 2k8a s PHE 64 CO 0.00 -0.70 0.71 -0.44 -0.10 0.00 0.00 175.22 174.69 2k8a h ASP 65 N 2.50 -0.06 -3.05 1.36 3.32 -1.84 0.24 116.42 118.90 2k8a h ASP 65 Ca -0.33 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 2k8a h ASP 65 Cb 1.25 0.02 -0.40 0.00 0.22 0.00 0.00 39.33 40.41 2k8a h ASP 65 CO 0.49 -0.03 -0.77 -0.31 -1.72 0.00 0.00 179.24 176.90 2k8a s TYR 66 N -2.54 0.87 -0.08 4.55 2.02 0.17 -3.54 117.35 118.81 2k8a s TYR 66 Ca -0.01 -1.04 -0.11 0.00 -0.37 0.00 0.00 57.07 55.53 2k8a s TYR 66 Cb 0.00 -1.14 -0.05 0.00 -0.40 0.00 0.00 41.96 40.38 2k8a s TYR 66 CO 0.03 -0.75 0.27 0.14 -1.57 0.00 0.00 175.55 173.67 2k8a s VAL 67 N 1.91 5.28 0.21 0.71 -7.23 -1.26 -0.30 120.40 119.72 2k8a s VAL 67 Ca 0.06 0.51 -0.13 0.00 -1.81 0.00 0.00 61.98 60.61 2k8a s VAL 67 Cb -0.17 -3.56 -0.07 0.00 0.56 0.00 0.00 36.38 33.14 2k8a s VAL 67 CO -0.23 0.56 0.58 0.12 -0.31 0.00 0.00 175.10 175.83 2k8a s PHE 68 N -0.76 3.50 -0.32 2.82 5.36 0.85 -4.72 117.98 124.71 2k8a s PHE 68 Ca 0.18 1.02 -0.10 0.00 -0.96 0.00 0.00 56.93 57.08 2k8a s PHE 68 Cb -0.14 -2.36 -0.00 0.00 -0.34 0.00 0.00 43.02 40.18 2k8a s PHE 68 CO 0.07 0.31 0.16 -1.12 -1.46 0.00 0.00 175.22 173.19 2k8a s SER 69 N -2.05 5.61 -0.26 6.13 0.01 -1.26 0.79 113.70 122.67 2k8a s SER 69 Ca 0.44 -0.57 -0.14 0.00 1.31 0.00 0.00 55.95 56.99 2k8a s SER 69 Cb -0.13 -2.01 -0.04 0.00 0.21 0.00 0.00 66.02 64.05 2k8a s SER 69 CO 0.20 -0.22 0.34 -0.63 0.41 0.00 0.00 173.24 173.34 2k8a s ILE 70 N 1.62 5.21 -0.10 1.44 1.01 0.39 -4.93 121.20 125.83 2k8a s ILE 70 Ca 0.04 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.15 2k8a s ILE 70 Cb -0.17 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 2k8a s ILE 70 CO 0.07 0.19 0.09 -0.62 0.00 0.00 0.00 174.94 174.66 2k8a s ASP 71 N 1.57 5.92 0.00 3.58 -1.08 -1.26 -2.16 116.67 123.24 2k8a s ASP 71 Ca 0.14 0.33 0.00 0.00 -0.52 0.00 0.00 52.55 52.50 2k8a s ASP 71 Cb -0.16 -1.82 0.00 0.00 -1.46 0.00 0.00 42.92 39.48 2k8a s ASP 71 CO 0.10 0.39 0.00 0.55 0.52 0.00 0.00 175.17 176.72 2k8a n VAL 72 N 1.97 0.00 -4.40 1.11 3.14 -1.26 -5.07 118.33 113.82 2k8a n VAL 72 Ca -0.19 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 60.85 2k8a n VAL 72 Cb 0.54 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 33.19 2k8a n VAL 72 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2k8a s ASN 73 N -0.84 4.42 -0.10 6.55 4.22 -1.26 -5.11 114.94 122.82 2k8a s ASN 73 Ca 0.00 -0.26 -0.09 0.00 -2.14 0.00 0.00 52.86 50.38 2k8a s ASN 73 Cb 0.00 -1.72 -0.04 0.00 1.28 0.00 0.00 41.25 40.77 2k8a s ASN 73 CO 0.00 0.12 0.19 -0.70 -2.04 0.00 0.00 177.10 174.67 2k8a s GLU 74 N 0.64 3.55 0.00 3.55 -6.30 -1.26 -4.12 118.70 114.76 2k8a s GLU 74 Ca -0.04 -0.03 0.00 0.00 -2.50 0.00 0.00 54.97 52.40 2k8a s GLU 74 Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 34.13 30.78 2k8a s GLU 74 CO 0.02 0.75 0.00 0.41 0.02 0.00 0.00 175.26 176.46 2k8a n GLY 75 N 2.00 0.52 3.30 -1.50 0.00 -1.26 -5.03 105.19 103.22 2k8a n GLY 75 Ca -0.19 -0.38 -0.19 0.00 0.00 0.00 0.00 46.02 45.26 2k8a n GLY 75 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2k8a s GLY 76 N -2.34 2.30 0.32 -0.02 0.00 -1.26 -5.14 107.32 101.17 2k8a s GLY 76 Ca 0.00 -1.99 -0.28 0.00 0.00 0.00 0.00 44.72 42.45 2k8a s GLY 76 CO 0.00 -1.50 1.13 2.56 0.00 0.00 0.00 173.10 175.29 2k8a s PRO 77 N -3.51 4.48 0.49 2.90 0.04 -1.26 -4.99 135.00 133.15 2k8a s PRO 77 Ca 0.39 1.83 -0.20 0.00 0.04 0.00 0.00 61.00 63.06 2k8a s PRO 77 Cb 0.03 -3.03 -0.08 0.00 0.04 0.00 0.00 34.50 31.45 2k8a s PRO 77 CO 0.26 0.06 1.03 -1.12 0.04 0.00 0.00 177.00 177.26 2k8a s SER 78 N -0.94 6.36 -0.23 6.66 0.01 -1.26 -4.90 113.70 119.40 2k8a s SER 78 Ca 0.48 1.87 -0.17 0.00 1.31 0.00 0.00 55.95 59.44 2k8a s SER 78 Cb -0.32 -2.55 -0.03 0.00 0.21 0.00 0.00 66.02 63.33 2k8a s SER 78 CO 0.41 -0.77 0.48 -0.31 0.41 0.00 0.00 173.24 173.46 2k8a s TYR 79 N -2.09 3.32 -0.11 2.43 2.02 -0.92 -4.90 117.35 117.11 2k8a s TYR 79 Ca 0.66 0.65 -0.02 0.00 -0.37 0.00 0.00 57.07 57.99 2k8a s TYR 79 Cb -0.15 -2.65 -0.03 0.00 -0.40 0.00 0.00 41.96 38.73 2k8a s TYR 79 CO 0.21 -0.16 -0.04 0.15 -1.57 0.00 0.00 175.55 174.14 2k8a s LYS 80 N 1.87 3.21 -0.66 -0.62 -0.14 -1.25 0.15 119.74 122.29 2k8a s LYS 80 Ca 0.21 -0.51 -0.03 0.00 -1.36 0.00 0.00 55.97 54.28 2k8a s LYS 80 Cb -0.15 -2.78 0.17 0.00 -1.68 0.00 0.00 37.83 33.39 2k8a s LYS 80 CO 0.09 0.49 0.49 -1.17 -0.76 0.00 0.00 175.35 174.48 2k8a s LEU 81 N -0.31 5.34 -0.25 3.17 0.20 0.24 -4.83 118.68 122.24 2k8a s LEU 81 Ca 0.05 -2.93 -0.29 0.00 0.69 0.00 0.00 54.13 51.66 2k8a s LEU 81 Cb -0.12 -1.88 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2k8a s LEU 81 CO 0.02 -0.36 1.83 -2.84 -0.29 0.00 0.00 176.35 174.71 2k8a s PRO 82 N -0.17 3.49 -0.15 0.98 0.02 -1.26 -0.11 135.00 137.80 2k8a s PRO 82 Ca 0.18 1.68 -0.00 0.00 0.02 0.00 0.00 61.00 62.88 2k8a s PRO 82 Cb -0.19 -4.18 -0.01 0.00 0.02 0.00 0.00 34.50 30.15 2k8a s PRO 82 CO -0.04 -1.67 -0.13 -0.47 -0.33 0.00 0.00 177.00 174.36 2k8a s TYR 83 N 6.45 2.82 -0.05 6.54 5.04 0.59 -4.90 117.35 133.83 2k8a s TYR 83 Ca 0.81 -0.86 -0.13 0.00 -2.44 0.00 0.00 57.07 54.46 2k8a s TYR 83 Cb -0.26 -1.89 -0.05 0.00 0.35 0.00 0.00 41.96 40.10 2k8a s TYR 83 CO 0.33 -0.37 0.33 -0.80 -1.34 0.00 0.00 175.55 173.70 2k8a s ASN 84 N 0.69 6.66 0.00 4.32 0.01 -1.26 -0.66 114.94 124.71 2k8a s ASN 84 Ca -0.06 0.79 0.17 0.00 -0.71 0.00 0.00 52.86 53.05 2k8a s ASN 84 Cb -0.15 -2.20 0.74 0.00 0.41 0.00 0.00 41.25 40.05 2k8a s ASN 84 CO 0.02 0.32 1.55 0.35 -1.51 0.00 0.00 177.10 177.83 2k8a n THR 85 N 2.09 0.81 -0.39 1.60 -2.24 -1.26 -0.57 114.28 114.32 2k8a n THR 85 Ca -0.15 0.20 0.09 0.00 -2.27 0.00 0.00 64.05 61.92 2k8a n THR 85 Cb 0.53 -0.91 0.26 0.00 -2.10 0.00 0.00 70.33 68.11 2k8a n THR 85 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2k8a n SER 86 N -1.50 3.71 -4.88 3.42 3.41 -1.26 -4.98 113.62 111.55 2k8a n SER 86 Ca 0.04 -2.16 -0.27 0.00 -0.26 0.00 0.00 58.87 56.23 2k8a n SER 86 Cb 0.20 -0.41 -0.04 0.00 -0.26 0.00 0.00 64.21 63.70 2k8a n SER 86 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2k8a s ASP 87 N -1.05 6.01 0.23 4.04 -1.08 0.27 -5.10 116.67 119.98 2k8a s ASP 87 Ca 0.39 0.07 -0.14 0.00 -0.52 0.00 0.00 52.55 52.34 2k8a s ASP 87 Cb 0.22 -1.73 -0.08 0.00 -1.46 0.00 0.00 42.92 39.88 2k8a s ASP 87 CO 0.23 0.08 0.64 -1.81 0.52 0.00 0.00 175.17 174.83 2k8a s ASP 88 N -3.07 6.81 0.09 -0.34 1.01 -1.26 -4.87 116.67 115.05 2k8a s ASP 88 Ca 0.33 1.17 -0.35 0.00 0.71 0.00 0.00 52.55 54.41 2k8a s ASP 88 Cb -0.11 -2.32 -0.16 0.00 1.01 0.00 0.00 42.92 41.34 2k8a s ASP 88 CO 0.26 -0.04 1.55 1.55 0.21 0.00 0.00 175.17 178.70 2k8a h PRO 89 N 2.93 -0.84 0.00 8.23 0.13 -1.94 0.34 132.00 140.84 2k8a h PRO 89 Ca -0.48 0.06 -0.01 0.00 -0.87 0.00 0.00 66.00 64.70 2k8a h PRO 89 Cb 1.18 0.19 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2k8a h PRO 89 CO 0.66 -0.56 -0.03 0.11 -0.23 0.00 0.00 178.00 177.95 2k8a h TRP 90 N -0.87 0.00 0.01 1.56 5.08 -1.89 0.27 115.95 120.11 2k8a h TRP 90 Ca -0.03 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 59.94 2k8a h TRP 90 Cb 0.81 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.97 2k8a h TRP 90 CO -0.36 0.03 -0.01 -0.07 -1.28 0.00 0.00 178.44 176.76 2k8a h LEU 91 N 0.00 -0.01 -0.58 0.11 3.38 -1.78 -1.90 115.31 114.52 2k8a h LEU 91 Ca -0.00 -0.74 0.06 0.00 0.09 0.00 0.00 57.88 57.29 2k8a h LEU 91 Cb 0.08 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 2k8a h LEU 91 CO 0.00 0.83 0.30 0.74 0.09 0.00 0.00 178.44 180.40 2k8a h THR 92 N -0.96 0.94 -0.34 0.22 2.02 0.14 0.11 112.91 115.04 2k8a h THR 92 Ca -0.00 -0.19 -0.17 0.00 0.77 0.00 0.00 66.41 66.82 2k8a h THR 92 Cb 0.75 0.33 -0.00 0.00 -1.74 0.00 0.00 68.15 67.48 2k8a h THR 92 CO 0.00 0.10 -0.44 0.00 0.37 0.00 0.00 175.52 175.55 2k8a h ALA 93 N 1.32 0.56 -0.73 6.16 0.00 -0.60 -2.30 119.26 123.67 2k8a h ALA 93 Ca 0.26 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2k8a h ALA 93 Cb 0.18 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 2k8a h ALA 93 CO -0.18 0.68 0.30 -0.92 0.00 0.00 0.00 179.25 179.12 2k8a h TYR 94 N 0.71 1.09 0.08 0.00 5.03 -0.96 0.25 116.97 123.17 2k8a h TYR 94 Ca 0.04 -0.07 0.01 0.00 2.58 0.00 0.00 58.73 61.29 2k8a h TYR 94 Cb 1.04 -0.33 -0.02 0.00 1.55 0.00 0.00 36.73 38.96 2k8a h TYR 94 CO 0.06 0.83 -0.16 -0.97 -1.32 0.00 0.00 178.16 176.61 2k8a h ASN 95 N 1.06 -0.43 -0.28 -2.11 -1.24 -0.49 0.14 115.58 112.23 2k8a h ASN 95 Ca 0.25 0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.21 2k8a h ASN 95 Cb 0.19 0.17 -0.02 0.00 0.73 0.00 0.00 38.32 39.39 2k8a h ASN 95 CO -0.02 -0.22 -0.16 0.15 -1.29 0.00 0.00 177.43 175.88 2k8a h PHE 96 N -0.30 0.80 -0.55 0.67 3.57 -1.15 0.48 116.94 120.46 2k8a h PHE 96 Ca 0.03 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2k8a h PHE 96 Cb 0.32 -0.20 -0.03 0.00 2.79 0.00 0.00 35.95 38.83 2k8a h PHE 96 CO -0.17 0.84 0.31 1.25 -2.23 0.00 0.00 178.31 178.30 2k8a h LEU 97 N 0.65 0.68 -0.31 0.59 5.85 -0.04 0.15 115.31 122.88 2k8a h LEU 97 Ca 0.10 -0.09 -0.11 0.00 0.84 0.00 0.00 57.88 58.63 2k8a h LEU 97 Cb 0.64 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 2k8a h LEU 97 CO 0.04 0.57 -0.51 0.06 -0.34 0.00 0.00 178.44 178.26 2k8a h GLN 98 N 0.74 0.00 -0.28 1.25 3.07 -0.62 0.66 115.11 119.92 2k8a h GLN 98 Ca 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 58.65 58.85 2k8a h GLN 98 Cb 0.03 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.59 2k8a h GLN 98 CO -0.03 0.51 -0.17 -0.22 0.09 0.00 0.00 178.83 179.01 2k8a h LYS 99 N 0.00 0.60 -0.02 0.06 3.11 -0.07 -3.13 116.57 117.12 2k8a h LYS 99 Ca -0.01 -0.28 0.00 0.00 -2.81 0.00 0.00 60.65 57.56 2k8a h LYS 99 Cb 1.27 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.49 2k8a h LYS 99 CO 0.07 0.86 -0.18 -1.71 -2.81 0.00 0.00 179.45 175.67 2k8a n ASN 100 N -4.40 2.15 -3.00 4.20 5.15 0.45 -4.97 115.26 114.84 2k8a n ASN 100 Ca -0.04 -1.60 -0.13 0.00 -0.60 0.00 0.00 54.58 52.21 2k8a n ASN 100 Cb 0.39 0.16 0.06 0.00 -0.53 0.00 0.00 39.78 39.86 2k8a n ASN 100 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 2k8a n ASP 101 N 0.44 -5.00 -4.99 1.20 8.00 -0.49 -5.04 116.55 110.67 2k8a n ASP 101 Ca 0.13 -0.58 -0.18 0.00 0.71 0.00 0.00 54.79 54.87 2k8a n ASP 101 Cb 0.48 -4.48 0.03 0.00 -0.02 0.00 0.00 41.12 37.13 2k8a n ASP 101 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2k8a s LEU 102 N -5.19 3.49 0.13 0.64 2.01 0.22 -5.01 118.68 114.96 2k8a s LEU 102 Ca 0.30 -0.39 -0.30 0.00 0.01 0.00 0.00 54.13 53.74 2k8a s LEU 102 Cb -0.04 -2.54 -0.06 0.00 0.01 0.00 0.00 46.19 43.56 2k8a s LEU 102 CO 0.62 -0.95 1.02 0.21 1.01 0.00 0.00 176.35 178.26 2k8a s ASN 103 N -4.42 7.40 0.38 2.29 3.84 -1.26 -4.78 114.94 118.38 2k8a s ASN 103 Ca 0.57 1.90 0.21 0.00 0.21 0.00 0.00 52.86 55.74 2k8a s ASN 103 Cb -0.09 -2.59 1.12 0.00 -0.55 0.00 0.00 41.25 39.14 2k8a s ASN 103 CO 0.35 -0.14 1.59 -0.65 -2.79 0.00 0.00 177.10 175.46 2k8a h PRO 104 N 5.54 0.00 0.00 0.43 0.11 -1.98 0.12 132.00 136.22 2k8a h PRO 104 Ca -0.43 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 2k8a h PRO 104 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k8a h PRO 104 CO 0.73 0.00 -0.01 1.98 -0.21 0.00 0.00 178.00 180.49 2k8a h MET 105 N 0.00 0.00 0.00 1.05 4.05 -2.04 -2.07 114.93 115.92 2k8a h MET 105 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2k8a h MET 105 Cb 0.30 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.10 2k8a h MET 105 CO 0.00 0.01 -0.69 1.19 0.23 0.00 0.00 176.91 177.65 2k8a n PHE 106 N -3.19 0.52 -0.10 1.39 3.72 0.43 -4.44 117.46 115.79 2k8a n PHE 106 Ca -0.02 0.15 -0.06 0.00 -0.05 0.00 0.00 57.45 57.46 2k8a n PHE 106 Cb 0.11 -0.63 0.01 0.00 -0.94 0.00 0.00 39.48 38.03 2k8a n PHE 106 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 176.76 177.96 2k8a h LEU 107 N 0.00 0.15 -1.00 4.37 5.85 -1.52 -1.37 115.31 121.80 2k8a h LEU 107 Ca 0.00 0.03 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2k8a h LEU 107 Cb 0.75 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.77 2k8a h LEU 107 CO 0.00 0.12 0.07 -0.78 -0.34 0.00 0.00 178.44 177.51 2k8a h ASP 108 N 0.28 0.75 0.40 1.25 3.58 -1.78 -0.17 116.42 120.73 2k8a h ASP 108 Ca 0.16 -0.15 -0.02 0.00 0.42 0.00 0.00 57.03 57.44 2k8a h ASP 108 Cb 0.12 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 40.98 2k8a h ASP 108 CO -0.15 0.77 -0.19 -0.61 -2.88 0.00 0.00 179.24 176.18 2k8a h GLN 109 N 0.76 -0.51 -0.54 0.28 4.15 -1.54 0.18 115.11 117.89 2k8a h GLN 109 Ca 0.16 0.03 -0.08 0.00 0.77 0.00 0.00 58.65 59.53 2k8a h GLN 109 Cb 0.36 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 2k8a h GLN 109 CO 0.01 -0.30 0.02 -0.39 -1.93 0.00 0.00 178.83 176.24 2k8a h VAL 110 N -0.61 1.26 -0.68 2.39 -1.51 -1.29 -2.63 116.25 113.18 2k8a h VAL 110 Ca -0.05 -1.07 -0.06 0.00 -1.23 0.00 0.00 66.70 64.29 2k8a h VAL 110 Cb 0.45 0.89 -0.03 0.00 -2.13 0.00 0.00 31.29 30.47 2k8a h VAL 110 CO 0.09 0.38 0.21 0.00 -1.23 0.00 0.00 177.57 177.02 2k8a h ALA 111 N 0.96 0.90 -0.36 5.19 0.00 -0.90 -0.43 119.26 124.62 2k8a h ALA 111 Ca 0.16 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.76 2k8a h ALA 111 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 2k8a h ALA 111 CO 0.02 0.58 -0.14 0.87 0.00 0.00 0.00 179.25 180.58 2k8a h LYS 112 N 1.00 0.65 -0.53 0.00 1.79 -0.56 0.76 116.57 119.68 2k8a h LYS 112 Ca 0.22 -0.21 -0.12 0.00 -2.18 0.00 0.00 60.65 58.36 2k8a h LYS 112 Cb 0.31 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.89 2k8a h LYS 112 CO -0.01 0.76 -0.13 0.35 -1.08 0.00 0.00 179.45 179.34 2k8a h PHE 113 N 0.59 1.16 -0.34 -1.35 3.04 -1.14 -0.69 116.94 118.21 2k8a h PHE 113 Ca 0.10 -0.25 0.07 0.00 3.98 0.00 0.00 57.97 61.87 2k8a h PHE 113 Cb 0.58 -0.28 -0.07 0.00 2.56 0.00 0.00 35.95 38.74 2k8a h PHE 113 CO 0.02 1.08 -0.11 0.82 -2.02 0.00 0.00 178.31 178.11 2k8a h ILE 114 N 0.90 0.62 0.02 1.41 2.04 -0.44 -1.15 117.51 120.91 2k8a h ILE 114 Ca 0.13 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.01 2k8a h ILE 114 Cb 0.71 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 2k8a h ILE 114 CO 0.05 0.00 -0.10 0.40 0.00 0.00 0.00 178.15 178.50 2k8a h ILE 115 N -0.03 0.75 0.00 -0.67 2.04 -0.65 -2.35 117.51 116.60 2k8a h ILE 115 Ca 0.17 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.03 2k8a h ILE 115 Cb 0.28 0.75 0.00 0.00 -0.74 0.00 0.00 36.82 37.11 2k8a h ILE 115 CO -0.37 0.00 0.00 0.44 0.00 0.00 0.00 178.15 178.23 2k8a h ASP 116 N -0.18 0.00 -0.28 1.72 5.19 -0.59 0.89 116.42 123.17 2k8a h ASP 116 Ca 0.03 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.31 2k8a h ASP 116 Cb 0.22 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.72 2k8a h ASP 116 CO -0.09 0.00 -0.32 -1.13 -3.12 0.00 0.00 179.24 174.59 2k8a h ASN 117 N 0.00 0.83 0.16 6.45 -1.24 -0.65 -3.23 115.58 117.89 2k8a h ASN 117 Ca 0.00 -0.34 -0.33 0.00 0.71 0.00 0.00 56.30 56.33 2k8a h ASN 117 Cb 0.01 -0.23 -0.06 0.00 0.73 0.00 0.00 38.32 38.77 2k8a h ASN 117 CO 0.00 1.08 -2.16 0.35 -1.29 0.00 0.00 177.43 175.40 2k8a n THR 118 N -4.07 1.42 -1.30 -3.57 -2.24 -0.25 -4.88 114.28 99.39 2k8a n THR 118 Ca -0.01 -0.83 -0.30 0.00 -2.27 0.00 0.00 64.05 60.64 2k8a n THR 118 Cb 0.49 -0.62 0.12 0.00 -2.10 0.00 0.00 70.33 68.22 2k8a n THR 118 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2k8a s LYS 119 N -2.56 1.58 -0.72 -0.78 2.36 0.29 -4.89 119.74 115.03 2k8a s LYS 119 Ca -0.08 0.81 -0.26 0.00 -2.55 0.00 0.00 55.97 53.89 2k8a s LYS 119 Cb 0.07 -1.85 -0.05 0.00 -1.05 0.00 0.00 37.83 34.96 2k8a s LYS 119 CO 0.83 -2.02 1.99 0.20 1.55 0.00 0.00 175.35 177.91 2k8a s GLY 120 N -3.54 0.04 -0.26 5.54 0.00 -0.63 -4.72 107.32 103.75 2k8a s GLY 120 Ca 0.62 -0.91 -0.29 0.00 0.00 0.00 0.00 44.72 44.15 2k8a s GLY 120 CO 0.56 3.59 1.70 1.62 0.00 0.00 0.00 173.10 180.57 2k8a s GLN 121 N 7.31 3.60 -0.03 2.90 0.74 -1.22 -2.48 119.66 130.48 2k8a s GLN 121 Ca 0.73 1.58 -0.02 0.00 0.05 0.00 0.00 55.36 57.70 2k8a s GLN 121 Cb -0.11 -4.11 0.01 0.00 1.10 0.00 0.00 33.01 29.90 2k8a s GLN 121 CO 0.12 -1.53 0.05 -0.12 -0.55 0.00 0.00 175.29 173.26 2k8a n MET 122 N 8.00 -1.87 0.00 1.67 0.00 -1.26 -4.47 117.12 119.19 2k8a n MET 122 Ca 0.21 1.69 0.00 0.00 0.00 0.00 0.00 57.70 59.60 2k8a n MET 122 Cb 0.46 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.34 2k8a n MET 122 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2k8a n LEU 123 N 0.67 0.00 -4.83 -0.89 7.99 -1.26 -4.96 117.00 113.72 2k8a n LEU 123 Ca -0.08 0.00 -0.32 0.00 -0.01 0.00 0.00 56.01 55.59 2k8a n LEU 123 Cb 0.13 -0.03 -0.03 0.00 -0.11 0.00 0.00 43.42 43.37 2k8a n LEU 123 CO 0.08 0.00 0.68 -0.83 -1.51 0.00 0.00 177.39 175.81 2k8a s GLY 124 N -1.20 2.15 0.31 -0.72 0.00 -1.03 -5.04 107.32 101.78 2k8a s GLY 124 Ca 0.00 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.04 2k8a s GLY 124 CO 0.00 0.56 0.39 1.04 0.00 0.00 0.00 173.10 175.09 2k8a n LEU 125 N -1.46 0.00 -2.95 0.66 4.77 -1.26 -4.30 117.00 112.46 2k8a n LEU 125 Ca 0.07 -1.38 -0.00 0.00 -0.03 0.00 0.00 56.01 54.67 2k8a n LEU 125 Cb 0.54 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2k8a n LEU 125 CO 0.45 -0.58 0.22 -0.83 -1.33 0.00 0.00 177.39 175.32 2k8a s GLY 126 N -3.32 -1.40 -0.48 -0.72 0.00 -1.26 -1.60 107.32 98.54 2k8a s GLY 126 Ca 0.29 0.35 -0.14 0.00 0.00 0.00 0.00 44.72 45.22 2k8a s GLY 126 CO 0.19 3.88 0.62 0.70 0.00 0.00 0.00 173.10 178.48 2k8a n ASN 127 N 3.71 -7.90 0.00 1.64 4.13 -1.26 -5.08 115.26 110.50 2k8a n ASN 127 Ca 0.11 0.44 0.11 0.00 1.68 0.00 0.00 54.58 56.92 2k8a n ASN 127 Cb 0.59 -5.33 0.64 0.00 -1.54 0.00 0.00 39.78 34.14 2k8a n ASN 127 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89