#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8a s ASN 50 N 0.00 6.03 -0.01 0.00 2.47 -1.26 -4.81 114.94 117.36 2k8a s ASN 50 Ca 0.00 0.00 -0.01 0.00 0.42 0.00 0.00 52.86 53.27 2k8a s ASN 50 Cb 0.00 -2.55 -0.00 0.00 -1.45 0.00 0.00 41.25 37.25 2k8a s ASN 50 CO 0.00 -1.84 -0.02 0.00 -3.72 0.00 0.00 177.10 171.51 2k8a n GLN 51 N 9.00 0.04 -0.07 0.43 6.02 -1.26 -4.92 117.38 126.61 2k8a n GLN 51 Ca 0.10 0.11 -0.14 0.00 -0.01 0.00 0.00 57.00 57.06 2k8a n GLN 51 Cb 0.50 -0.66 -0.05 0.00 1.02 0.00 0.00 30.24 31.05 2k8a n GLN 51 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2k8a n GLN 52 N -2.56 0.36 -4.09 -1.09 6.02 -1.26 -5.02 117.38 109.74 2k8a n GLN 52 Ca -0.01 0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.82 2k8a n GLN 52 Cb 0.03 -1.11 -0.07 0.00 1.02 0.00 0.00 30.24 30.11 2k8a n GLN 52 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 177.06 177.00 2k8a s THR 53 N -2.41 4.49 -1.95 5.09 -4.23 -1.26 -5.01 115.64 110.35 2k8a s THR 53 Ca -0.22 -0.70 0.21 0.00 -1.18 0.00 0.00 61.69 59.80 2k8a s THR 53 Cb 0.07 -3.12 0.52 0.00 1.34 0.00 0.00 72.50 71.31 2k8a s THR 53 CO 0.29 0.20 1.44 -1.54 -0.54 0.00 0.00 174.62 174.47 2k8a n SER 54 N 0.71 3.63 0.00 3.99 3.41 -1.26 -4.32 113.62 119.78 2k8a n SER 54 Ca -0.10 -1.98 0.00 0.00 -0.26 0.00 0.00 58.87 56.52 2k8a n SER 54 Cb 0.52 -0.37 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 2k8a n SER 54 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2k8a n GLY 55 N 1.43 -0.37 3.91 5.00 0.00 -1.26 -4.86 105.19 109.03 2k8a n GLY 55 Ca 0.21 -0.48 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 -1.62 3.62 -0.09 1.61 3.01 -1.26 -4.97 119.74 120.04 2k8a s LYS 56 Ca 0.00 0.09 -0.16 0.00 -1.01 0.00 0.00 55.97 54.90 2k8a s LYS 56 Cb 0.00 -2.53 -0.05 0.00 -1.01 0.00 0.00 37.83 34.24 2k8a s LYS 56 CO 0.00 0.05 0.40 0.08 0.51 0.00 0.00 175.35 176.38 2k8a s VAL 57 N -2.35 5.17 -0.28 3.17 1.01 0.35 -4.86 120.40 122.60 2k8a s VAL 57 Ca 0.46 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.13 2k8a s VAL 57 Cb -0.10 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.53 2k8a s VAL 57 CO 0.35 0.44 0.14 -0.22 0.00 0.00 0.00 175.10 175.82 2k8a s LEU 58 N -0.08 3.90 -0.13 3.92 2.96 -1.26 -0.45 118.68 127.55 2k8a s LEU 58 Ca 0.22 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 2k8a s LEU 58 Cb -0.15 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.54 2k8a s LEU 58 CO 0.10 -0.10 -0.11 -0.72 -1.32 0.00 0.00 176.35 174.19 2k8a s TYR 59 N 1.67 1.82 -1.57 5.38 1.13 0.18 -4.76 117.35 121.20 2k8a s TYR 59 Ca 0.06 -0.95 0.00 0.00 -1.41 0.00 0.00 57.07 54.77 2k8a s TYR 59 Cb -0.16 -1.40 0.00 0.00 -1.10 0.00 0.00 41.96 39.30 2k8a s TYR 59 CO 0.07 -0.57 0.00 0.39 -2.51 0.00 0.00 175.55 172.93 2k8a n GLU 60 N 4.77 -1.57 0.00 -3.49 1.02 -1.26 -0.30 120.64 119.81 2k8a n GLU 60 Ca -0.15 0.99 0.00 0.00 -0.02 0.00 0.00 57.16 57.97 2k8a n GLU 60 Cb 0.50 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.57 2k8a n GLU 60 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k8a n GLY 61 N -0.04 0.37 3.82 0.62 0.00 -1.26 -5.08 105.19 103.62 2k8a n GLY 61 Ca -0.15 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.90 3.03 -0.06 1.61 2.20 0.59 -5.08 119.74 121.14 2k8a s LYS 62 Ca 0.00 -0.65 0.01 0.00 -0.36 0.00 0.00 55.97 54.97 2k8a s LYS 62 Cb 0.00 -2.80 -0.03 0.00 -1.51 0.00 0.00 37.83 33.49 2k8a s LYS 62 CO 0.00 0.57 -0.07 -1.21 -0.36 0.00 0.00 175.35 174.28 2k8a s GLU 63 N -2.51 2.73 0.23 4.03 2.02 -1.26 0.49 118.70 124.42 2k8a s GLU 63 Ca 0.31 -0.57 0.01 0.00 0.02 0.00 0.00 54.97 54.74 2k8a s GLU 63 Cb -0.12 -2.58 -0.04 0.00 0.10 0.00 0.00 34.13 31.48 2k8a s GLU 63 CO 0.24 0.66 0.14 -0.06 0.02 0.00 0.00 175.26 176.26 2k8a s PHE 64 N -0.84 1.31 0.00 1.61 0.08 0.41 -4.93 117.98 115.62 2k8a s PHE 64 Ca 0.13 -1.38 0.00 0.00 0.12 0.00 0.00 56.93 55.80 2k8a s PHE 64 Cb -0.11 -0.65 0.00 0.00 -0.57 0.00 0.00 43.02 41.69 2k8a s PHE 64 CO 0.02 -0.61 0.95 -0.25 -0.10 0.00 0.00 175.22 175.24 2k8a n ASP 65 N -0.48 0.00 -3.55 1.36 8.00 -1.24 -0.49 116.55 120.14 2k8a n ASP 65 Ca 0.02 0.96 -0.29 0.00 0.71 0.00 0.00 54.79 56.20 2k8a n ASP 65 Cb 0.66 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 41.13 2k8a n ASP 65 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2k8a s TYR 66 N -2.84 0.30 0.05 1.24 2.02 0.04 -3.84 117.35 114.32 2k8a s TYR 66 Ca 0.00 -0.82 -0.20 0.00 -0.37 0.00 0.00 57.07 55.69 2k8a s TYR 66 Cb 0.00 -0.88 -0.06 0.00 -0.40 0.00 0.00 41.96 40.62 2k8a s TYR 66 CO 0.00 -0.80 0.58 0.14 -1.57 0.00 0.00 175.55 173.90 2k8a s VAL 67 N 2.11 4.79 0.15 0.71 -7.23 -1.25 -1.09 120.40 118.58 2k8a s VAL 67 Ca 0.08 1.23 -0.15 0.00 -1.81 0.00 0.00 61.98 61.33 2k8a s VAL 67 Cb -0.16 -3.91 -0.07 0.00 0.56 0.00 0.00 36.38 32.80 2k8a s VAL 67 CO -0.34 0.51 0.57 0.12 -0.31 0.00 0.00 175.10 175.65 2k8a s PHE 68 N -0.79 3.63 -0.32 2.82 5.36 0.96 -4.69 117.98 124.93 2k8a s PHE 68 Ca 0.30 1.11 -0.13 0.00 -0.96 0.00 0.00 56.93 57.25 2k8a s PHE 68 Cb -0.19 -2.41 -0.03 0.00 -0.34 0.00 0.00 43.02 40.06 2k8a s PHE 68 CO 0.18 0.43 0.24 0.45 -1.46 0.00 0.00 175.22 175.07 2k8a s SER 69 N -1.66 6.07 -0.25 6.13 0.15 -1.26 0.47 113.70 123.35 2k8a s SER 69 Ca 0.38 -0.29 -0.08 0.00 0.70 0.00 0.00 55.95 56.66 2k8a s SER 69 Cb -0.15 -2.14 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 2k8a s SER 69 CO 0.19 -0.20 0.09 -0.63 1.20 0.00 0.00 173.24 173.89 2k8a s ILE 70 N 1.77 4.51 0.34 6.45 1.01 0.29 -4.96 121.20 130.61 2k8a s ILE 70 Ca 0.07 -0.11 -0.22 0.00 0.00 0.00 0.00 60.65 60.39 2k8a s ILE 70 Cb -0.17 -3.11 -0.10 0.00 0.01 0.00 0.00 42.46 39.09 2k8a s ILE 70 CO 0.11 0.34 0.89 1.51 0.00 0.00 0.00 174.94 177.78 2k8a s ASP 71 N 1.52 7.10 0.00 3.58 -4.77 -1.26 -1.47 116.67 121.37 2k8a s ASP 71 Ca 0.06 1.66 0.00 0.00 -3.30 0.00 0.00 52.55 50.97 2k8a s ASP 71 Cb -0.15 -2.52 0.00 0.00 -1.09 0.00 0.00 42.92 39.16 2k8a s ASP 71 CO 0.05 -0.16 0.00 0.55 0.70 0.00 0.00 175.17 176.30 2k8a n VAL 72 N 0.09 0.00 -4.01 2.11 3.14 -1.26 -4.94 118.33 113.46 2k8a n VAL 72 Ca 0.03 0.00 -0.34 0.00 -2.96 0.00 0.00 64.34 61.07 2k8a n VAL 72 Cb 0.52 -0.00 -0.15 0.00 -1.06 0.00 0.00 33.84 33.15 2k8a n VAL 72 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 2k8a s ASN 73 N -1.78 3.84 -0.16 6.55 3.04 -1.25 -5.07 114.94 120.11 2k8a s ASN 73 Ca 0.00 -0.49 -0.29 0.00 0.04 0.00 0.00 52.86 52.12 2k8a s ASN 73 Cb 0.00 -1.64 -0.05 0.00 -1.54 0.00 0.00 41.25 38.02 2k8a s ASN 73 CO 0.00 -0.01 2.01 -1.61 -3.04 0.00 0.00 177.10 174.45 2k8a s GLU 74 N 1.38 3.54 -0.89 0.43 8.01 -1.26 -1.56 118.70 128.35 2k8a s GLU 74 Ca 0.05 2.08 -0.06 0.00 0.01 0.00 0.00 54.97 57.05 2k8a s GLU 74 Cb -0.14 -4.24 0.01 0.00 -4.31 0.00 0.00 34.13 25.45 2k8a s GLU 74 CO -0.07 -1.63 0.74 0.41 0.01 0.00 0.00 175.26 174.72 2k8a n GLY 75 N 5.20 -0.02 0.00 -1.39 0.00 -1.26 -4.99 105.19 102.73 2k8a n GLY 75 Ca 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2k8a n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8a n GLY 76 N -1.46 3.74 3.65 -0.02 0.00 -0.60 -5.13 105.19 105.36 2k8a n GLY 76 Ca -0.00 -1.29 -0.46 0.00 0.00 0.00 0.00 46.02 44.27 2k8a n GLY 76 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2k8a n PRO 77 N 0.00 1.87 -4.64 1.61 -0.04 -1.26 -4.80 135.00 127.74 2k8a n PRO 77 Ca 0.00 0.67 -0.29 0.00 -0.04 0.00 0.00 63.50 63.83 2k8a n PRO 77 Cb 0.00 -2.32 -0.14 0.00 -0.04 0.00 0.00 33.50 31.00 2k8a n PRO 77 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2k8a s SER 78 N 0.39 3.18 0.05 3.54 0.01 -1.26 -3.94 113.70 115.66 2k8a s SER 78 Ca 0.72 -0.66 -0.11 0.00 1.31 0.00 0.00 55.95 57.21 2k8a s SER 78 Cb -0.71 -0.25 -0.06 0.00 0.21 0.00 0.00 66.02 65.22 2k8a s SER 78 CO 0.47 0.21 0.40 -0.31 0.41 0.00 0.00 173.24 174.42 2k8a s TYR 79 N -0.93 3.63 -0.08 2.43 2.02 -0.55 -4.90 117.35 118.97 2k8a s TYR 79 Ca 0.12 0.84 0.04 0.00 -0.37 0.00 0.00 57.07 57.71 2k8a s TYR 79 Cb -0.10 -2.19 0.00 0.00 -0.40 0.00 0.00 41.96 39.27 2k8a s TYR 79 CO 0.04 0.56 -0.20 0.15 -1.57 0.00 0.00 175.55 174.53 2k8a s LYS 80 N -1.64 2.47 -0.67 -0.62 -0.14 -1.25 0.10 119.74 118.00 2k8a s LYS 80 Ca 0.30 -0.73 -0.04 0.00 -1.36 0.00 0.00 55.97 54.14 2k8a s LYS 80 Cb -0.15 -1.95 0.17 0.00 -1.68 0.00 0.00 37.83 34.22 2k8a s LYS 80 CO 0.16 0.17 0.50 -1.17 -0.76 0.00 0.00 175.35 174.25 2k8a s LEU 81 N 0.33 5.42 -0.19 3.17 0.20 0.18 -4.80 118.68 122.98 2k8a s LEU 81 Ca -0.14 -2.90 -0.29 0.00 0.69 0.00 0.00 54.13 51.49 2k8a s LEU 81 Cb -0.16 -1.90 -0.05 0.00 -0.43 0.00 0.00 46.19 43.65 2k8a s LEU 81 CO 0.06 -0.38 2.07 -2.84 -0.29 0.00 0.00 176.35 174.98 2k8a s PRO 82 N -0.13 3.39 -0.13 0.98 0.02 -1.26 -0.03 135.00 137.83 2k8a s PRO 82 Ca 0.18 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.26 2k8a s PRO 82 Cb -0.18 -4.29 0.01 0.00 0.02 0.00 0.00 34.50 30.06 2k8a s PRO 82 CO -0.04 -1.80 -0.22 -0.47 -0.33 0.00 0.00 177.00 174.14 2k8a s TYR 83 N 7.19 2.60 -0.05 6.54 5.04 -0.25 -4.89 117.35 133.53 2k8a s TYR 83 Ca 0.93 -1.27 -0.07 0.00 -2.44 0.00 0.00 57.07 54.22 2k8a s TYR 83 Cb -0.33 -1.77 -0.04 0.00 0.35 0.00 0.00 41.96 40.17 2k8a s TYR 83 CO 0.36 -0.57 0.22 -0.80 -1.34 0.00 0.00 175.55 173.41 2k8a s ASN 84 N 0.75 6.46 0.00 4.32 0.01 -1.26 -0.78 114.94 124.44 2k8a s ASN 84 Ca -0.09 0.53 0.11 0.00 -0.71 0.00 0.00 52.86 52.70 2k8a s ASN 84 Cb -0.16 -2.08 0.52 0.00 0.41 0.00 0.00 41.25 39.94 2k8a s ASN 84 CO -0.00 0.32 1.29 0.35 -1.51 0.00 0.00 177.10 177.55 2k8a n THR 85 N 1.49 0.93 -0.40 1.60 -2.24 -1.26 -0.59 114.28 113.81 2k8a n THR 85 Ca -0.15 0.23 0.09 0.00 -2.27 0.00 0.00 64.05 61.95 2k8a n THR 85 Cb 0.54 -1.05 0.26 0.00 -2.10 0.00 0.00 70.33 67.98 2k8a n THR 85 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 2k8a n SER 86 N -1.37 3.75 -4.81 3.42 2.88 -1.26 -4.97 113.62 111.26 2k8a n SER 86 Ca 0.04 -2.17 -0.28 0.00 -1.33 0.00 0.00 58.87 55.13 2k8a n SER 86 Cb 0.10 -0.42 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 2k8a n SER 86 CO 0.00 0.00 0.00 -1.81 -1.23 0.00 0.00 175.04 172.00 2k8a s ASP 87 N -1.05 5.63 0.33 -3.46 1.01 0.24 -5.11 116.67 114.26 2k8a s ASP 87 Ca 0.40 -0.05 -0.16 0.00 0.71 0.00 0.00 52.55 53.45 2k8a s ASP 87 Cb 0.23 -1.52 -0.09 0.00 1.01 0.00 0.00 42.92 42.55 2k8a s ASP 87 CO 0.23 0.11 0.77 -1.81 0.21 0.00 0.00 175.17 174.67 2k8a s ASP 88 N -2.85 6.81 0.07 0.27 1.01 -1.26 -4.92 116.67 115.80 2k8a s ASP 88 Ca 0.31 1.34 -0.31 0.00 0.71 0.00 0.00 52.55 54.60 2k8a s ASP 88 Cb -0.11 -2.40 -0.15 0.00 1.01 0.00 0.00 42.92 41.27 2k8a s ASP 88 CO 0.24 -0.22 1.48 1.55 0.21 0.00 0.00 175.17 178.42 2k8a h PRO 89 N 2.24 -0.85 -0.01 8.23 0.13 -1.94 0.15 132.00 139.96 2k8a h PRO 89 Ca -0.48 0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 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 0.65 -0.57 0.01 0.11 -0.23 0.00 0.00 178.00 177.97 2k8a h TRP 90 N -0.88 0.00 0.04 1.56 0.09 -1.89 0.12 115.95 114.99 2k8a h TRP 90 Ca -0.06 0.00 -0.00 0.00 0.09 0.00 0.00 58.89 58.92 2k8a h TRP 90 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.00 2k8a h TRP 90 CO -0.22 0.00 -0.02 -0.07 0.09 0.00 0.00 178.44 178.22 2k8a h LEU 91 N 0.00 -0.05 -0.65 0.11 3.38 -1.89 -2.46 115.31 113.75 2k8a h LEU 91 Ca 0.00 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.65 2k8a h LEU 91 Cb 0.02 0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.71 2k8a h LEU 91 CO -0.00 0.63 0.30 0.74 0.09 0.00 0.00 178.44 180.20 2k8a h THR 92 N -0.98 0.83 -0.41 0.22 2.02 -0.17 0.23 112.91 114.65 2k8a h THR 92 Ca -0.01 -0.18 -0.14 0.00 0.77 0.00 0.00 66.41 66.86 2k8a h THR 92 Cb 0.46 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 2k8a h THR 92 CO 0.01 0.09 -0.30 0.00 0.37 0.00 0.00 175.52 175.70 2k8a h ALA 93 N 1.41 0.70 -0.70 6.16 0.00 -0.92 -2.28 119.26 123.63 2k8a h ALA 93 Ca 0.32 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 2k8a h ALA 93 Cb 0.35 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2k8a h ALA 93 CO -0.27 0.67 0.15 -0.92 0.00 0.00 0.00 179.25 178.87 2k8a h TYR 94 N 0.75 1.18 0.02 0.00 5.03 -0.82 0.18 116.97 123.32 2k8a h TYR 94 Ca 0.08 -0.15 0.03 0.00 2.58 0.00 0.00 58.73 61.27 2k8a h TYR 94 Cb 0.86 -0.33 -0.04 0.00 1.55 0.00 0.00 36.73 38.77 2k8a h TYR 94 CO 0.05 0.97 -0.21 -0.91 -1.32 0.00 0.00 178.16 176.74 2k8a h ASN 95 N 1.06 -0.60 -0.30 -2.11 2.35 -0.30 0.44 115.58 116.12 2k8a h ASN 95 Ca 0.22 0.08 -0.10 0.00 -0.55 0.00 0.00 56.30 55.95 2k8a h ASN 95 Cb 0.39 0.25 -0.02 0.00 0.05 0.00 0.00 38.32 39.00 2k8a h ASN 95 CO 0.01 -0.28 -0.16 0.15 -1.65 0.00 0.00 177.43 175.50 2k8a h PHE 96 N -0.34 0.83 -0.55 1.19 3.57 -1.19 0.36 116.94 120.80 2k8a h PHE 96 Ca 0.05 -0.17 -0.02 0.00 3.53 0.00 0.00 57.97 61.37 2k8a h PHE 96 Cb 0.41 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2k8a h PHE 96 CO -0.24 0.86 0.26 1.25 -2.23 0.00 0.00 178.31 178.20 2k8a h LEU 97 N 0.67 0.70 0.13 0.59 5.85 -0.24 0.14 115.31 123.14 2k8a h LEU 97 Ca 0.11 -0.07 -0.28 0.00 0.84 0.00 0.00 57.88 58.47 2k8a h LEU 97 Cb 0.64 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.50 2k8a h LEU 97 CO 0.05 0.61 -1.26 1.56 -0.34 0.00 0.00 178.44 179.05 2k8a h GLN 98 N 0.78 0.34 -0.63 1.25 1.08 -0.55 0.73 115.11 118.11 2k8a h GLN 98 Ca 0.19 -0.56 0.01 0.00 -1.45 0.00 0.00 58.65 56.85 2k8a h GLN 98 Cb 0.10 0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 2k8a h GLN 98 CO -0.02 1.26 0.41 -0.22 -0.95 0.00 0.00 178.83 179.30 2k8a h LYS 99 N 0.11 0.81 -0.01 1.46 3.11 0.57 -2.63 116.57 119.98 2k8a h LYS 99 Ca -0.15 -0.05 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2k8a h LYS 99 Cb 1.97 -0.18 0.00 0.00 -1.00 0.00 0.00 32.23 33.02 2k8a h LYS 99 CO 0.22 0.53 -0.50 -1.71 -2.81 0.00 0.00 179.45 175.18 2k8a n ASN 100 N -4.67 1.96 -3.07 4.20 2.85 0.39 -4.99 115.26 111.93 2k8a n ASN 100 Ca 0.05 -1.48 -0.09 0.00 -0.11 0.00 0.00 54.58 52.95 2k8a n ASN 100 Cb 0.04 0.49 0.04 0.00 1.24 0.00 0.00 39.78 41.60 2k8a n ASN 100 CO 0.00 0.00 0.00 -0.67 -2.11 0.00 0.00 177.26 174.48 2k8a n ASP 101 N -0.11 -6.71 -4.99 1.20 2.03 -0.63 -5.04 116.55 102.31 2k8a n ASP 101 Ca 0.09 -0.46 -0.19 0.00 0.52 0.00 0.00 54.79 54.74 2k8a n ASP 101 Cb 0.46 -4.95 0.04 0.00 -0.72 0.00 0.00 41.12 35.96 2k8a n ASP 101 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2k8a s LEU 102 N -4.78 3.31 0.10 -2.67 2.01 0.25 -5.00 118.68 111.90 2k8a s LEU 102 Ca 0.29 -0.59 -0.30 0.00 0.01 0.00 0.00 54.13 53.54 2k8a s LEU 102 Cb -0.04 -2.13 -0.06 0.00 0.01 0.00 0.00 46.19 43.97 2k8a s LEU 102 CO 0.69 -1.16 1.08 0.21 1.01 0.00 0.00 176.35 178.18 2k8a s ASN 103 N -4.54 7.27 0.41 2.29 3.84 -1.26 -4.83 114.94 118.11 2k8a s ASN 103 Ca 0.59 1.95 0.23 0.00 0.21 0.00 0.00 52.86 55.84 2k8a s ASN 103 Cb -0.08 -2.59 1.24 0.00 -0.55 0.00 0.00 41.25 39.27 2k8a s ASN 103 CO 0.37 -0.27 1.66 -0.65 -2.79 0.00 0.00 177.10 175.43 2k8a h PRO 104 N 5.93 0.00 0.00 0.43 0.11 -1.98 0.85 132.00 137.35 2k8a h PRO 104 Ca -0.43 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.67 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 0.75 0.00 -0.08 1.98 -0.21 0.00 0.00 178.00 180.44 2k8a h MET 105 N 0.00 0.00 0.00 1.05 4.05 -2.04 -2.66 114.93 115.33 2k8a h MET 105 Ca 0.00 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2k8a h MET 105 Cb 0.28 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 31.07 2k8a h MET 105 CO 0.00 0.08 -0.23 0.74 0.23 0.00 0.00 176.91 177.72 2k8a h PHE 106 N 0.00 0.00 -0.70 1.39 0.04 -1.21 -3.37 116.94 113.09 2k8a h PHE 106 Ca -0.00 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.89 2k8a h PHE 106 Cb 0.38 0.00 -0.08 0.00 2.20 0.00 0.00 35.95 38.44 2k8a h PHE 106 CO 0.00 0.09 0.28 1.25 -0.60 0.00 0.00 178.31 179.34 2k8a h LEU 107 N 0.00 0.28 -0.28 1.54 5.85 -1.62 -0.96 115.31 120.12 2k8a h LEU 107 Ca -0.00 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2k8a h LEU 107 Cb 1.08 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 2k8a h LEU 107 CO 0.01 0.14 0.11 -0.78 -0.34 0.00 0.00 178.44 177.58 2k8a h ASP 108 N 0.46 0.39 0.25 1.25 3.58 -1.78 -0.68 116.42 119.89 2k8a h ASP 108 Ca 0.37 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 2k8a h ASP 108 Cb 0.51 -0.10 -0.01 0.00 1.72 0.00 0.00 39.33 41.44 2k8a h ASP 108 CO -0.35 0.46 -0.20 -0.61 -2.88 0.00 0.00 179.24 175.65 2k8a h GLN 109 N 0.30 -0.45 -0.49 0.28 4.15 -1.44 0.14 115.11 117.60 2k8a h GLN 109 Ca 0.09 0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.49 2k8a h GLN 109 Cb 0.19 0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.97 2k8a h GLN 109 CO -0.01 -0.30 0.08 -0.39 -1.93 0.00 0.00 178.83 176.28 2k8a h VAL 110 N -0.47 1.25 -0.82 2.39 -1.51 -1.32 -2.48 116.25 113.29 2k8a h VAL 110 Ca -0.01 -0.93 -0.03 0.00 -1.23 0.00 0.00 66.70 64.50 2k8a h VAL 110 Cb 0.42 0.90 -0.04 0.00 -2.13 0.00 0.00 31.29 30.44 2k8a h VAL 110 CO -0.02 0.33 0.41 0.00 -1.23 0.00 0.00 177.57 177.07 2k8a h ALA 111 N 0.96 1.06 -0.59 5.19 0.00 -0.89 -0.63 119.26 124.37 2k8a h ALA 111 Ca 0.15 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k8a h ALA 111 Cb 0.40 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2k8a h ALA 111 CO 0.01 0.61 0.05 0.87 0.00 0.00 0.00 179.25 180.78 2k8a h LYS 112 N 1.16 0.99 -0.51 0.00 1.79 -0.57 0.12 116.57 119.55 2k8a h LYS 112 Ca 0.28 -0.28 -0.10 0.00 -2.18 0.00 0.00 60.65 58.37 2k8a h LYS 112 Cb 0.09 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 2k8a h LYS 112 CO -0.04 0.95 -0.09 0.35 -1.08 0.00 0.00 179.45 179.54 2k8a h PHE 113 N 0.92 1.03 -0.38 -1.35 3.04 -1.08 0.15 116.94 119.29 2k8a h PHE 113 Ca 0.18 -0.20 0.08 0.00 3.98 0.00 0.00 57.97 62.01 2k8a h PHE 113 Cb 0.47 -0.26 -0.07 0.00 2.56 0.00 0.00 35.95 38.65 2k8a h PHE 113 CO 0.03 0.97 -0.11 0.82 -2.02 0.00 0.00 178.31 178.01 2k8a h ILE 114 N 0.84 0.60 0.02 1.41 2.04 -0.51 -1.07 117.51 120.84 2k8a h ILE 114 Ca 0.14 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.01 2k8a h ILE 114 Cb 0.63 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2k8a h ILE 114 CO 0.04 0.00 -0.12 0.40 0.00 0.00 0.00 178.15 178.47 2k8a h ILE 115 N -0.02 0.71 -0.07 -0.67 2.04 -0.56 -2.48 117.51 116.45 2k8a h ILE 115 Ca 0.18 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.07 2k8a h ILE 115 Cb 0.30 0.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.08 2k8a h ILE 115 CO -0.40 0.00 0.11 0.44 0.00 0.00 0.00 178.15 178.30 2k8a h ASP 116 N -0.21 0.00 0.01 1.72 3.32 -0.37 0.86 116.42 121.74 2k8a h ASP 116 Ca 0.04 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 56.93 2k8a h ASP 116 Cb 0.25 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 2k8a h ASP 116 CO -0.10 0.00 -0.50 -1.13 -1.72 0.00 0.00 179.24 175.78 2k8a h ASN 117 N 0.00 0.61 0.00 6.45 -1.24 -0.73 -2.50 115.58 118.16 2k8a h ASN 117 Ca 0.03 -0.31 -0.24 0.00 0.71 0.00 0.00 56.30 56.50 2k8a h ASN 117 Cb 0.25 -0.17 -0.04 0.00 0.73 0.00 0.00 38.32 39.08 2k8a h ASN 117 CO -0.00 1.01 -2.23 0.35 -1.29 0.00 0.00 177.43 175.27 2k8a n THR 118 N -3.98 0.89 0.00 -3.57 -2.24 -0.40 -4.67 114.28 100.31 2k8a n THR 118 Ca -0.03 -0.72 0.00 0.00 -2.27 0.00 0.00 64.05 61.03 2k8a n THR 118 Cb 0.58 -0.30 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 2k8a n THR 118 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2k8a n LYS 119 N -2.57 0.00 -3.64 -0.78 4.81 0.29 -4.87 118.16 111.39 2k8a n LYS 119 Ca -0.22 0.19 -0.04 0.00 -0.87 0.00 0.00 58.31 57.36 2k8a n LYS 119 Cb 0.94 -1.02 -0.07 0.00 0.02 0.00 0.00 35.03 34.91 2k8a n LYS 119 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2k8a s GLY 120 N -0.73 0.18 -0.31 3.14 0.00 -0.94 -2.31 107.32 106.34 2k8a s GLY 120 Ca 0.00 3.24 -0.06 0.00 0.00 0.00 0.00 44.72 47.90 2k8a s GLY 120 CO 0.00 2.07 3.43 -1.06 0.00 0.00 0.00 173.10 177.54 2k8a n GLN 121 N 2.18 2.34 0.00 2.90 3.00 -1.24 -3.35 117.38 123.21 2k8a n GLN 121 Ca -0.13 -1.35 0.00 0.00 -0.01 0.00 0.00 57.00 55.52 2k8a n GLN 121 Cb 0.57 -2.15 0.00 0.00 0.00 0.00 0.00 30.24 28.66 2k8a n GLN 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k8a n MET 122 N 2.51 0.00 0.06 -1.09 0.00 -1.26 -5.02 117.12 112.31 2k8a n MET 122 Ca 0.49 0.00 0.00 0.00 0.00 0.00 0.00 57.70 58.19 2k8a n MET 122 Cb 0.77 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.99 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 0.00 -0.99 -3.60 3.17 4.77 -1.21 -5.15 117.00 113.99 2k8a n LEU 123 Ca 0.00 0.21 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2k8a n LEU 123 Cb 0.00 1.30 -0.06 0.00 -2.33 0.00 0.00 43.42 42.33 2k8a n LEU 123 CO 0.00 -0.31 0.78 -0.83 -1.33 0.00 0.00 177.39 175.69 2k8a s GLY 124 N -1.24 -0.21 0.30 -0.72 0.00 -1.26 -3.66 107.32 100.52 2k8a s GLY 124 Ca 0.00 2.27 0.10 0.00 0.00 0.00 0.00 44.72 47.09 2k8a s GLY 124 CO 0.00 1.30 -0.02 0.48 0.00 0.00 0.00 173.10 174.86 2k8a s LEU 125 N -0.67 3.03 0.00 0.66 2.34 -0.98 -4.85 118.68 118.22 2k8a s LEU 125 Ca 0.00 -0.82 0.00 0.00 0.06 0.00 0.00 54.13 53.37 2k8a s LEU 125 Cb -0.02 -1.51 0.00 0.00 -0.56 0.00 0.00 46.19 44.10 2k8a s LEU 125 CO -0.01 -0.09 0.00 0.61 -1.06 0.00 0.00 176.35 175.80 2k8a n GLY 126 N -0.89 2.70 0.00 -3.48 0.00 -1.26 -4.95 105.19 97.31 2k8a n GLY 126 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.04 2k8a n GLY 126 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k8a n ASN 127 N 0.00 0.00 0.00 1.61 5.03 -1.26 -5.29 115.26 115.35 2k8a n ASN 127 Ca 0.00 0.00 0.03 0.00 0.87 0.00 0.00 54.58 55.48 2k8a n ASN 127 Cb 0.00 0.00 0.18 0.00 -1.02 0.00 0.00 39.78 38.94 2k8a n ASN 127 CO 0.00 0.00 0.00 -2.65 -1.83 0.00 0.00 177.26 172.78