#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k8r s LYS 2 N 0.00 4.25 0.04 -3.48 0.00 -1.26 -4.42 119.74 114.87 2k8r s LYS 2 Ca 0.00 0.65 -0.06 0.00 0.00 0.00 0.00 55.97 56.56 2k8r s LYS 2 Cb 0.00 -3.55 -0.01 0.00 0.00 0.00 0.00 37.83 34.27 2k8r s LYS 2 CO 0.00 -0.17 0.10 0.15 0.00 0.00 0.00 175.35 175.43 2k8r s LYS 3 N 1.68 0.61 -0.49 1.78 1.02 -1.26 -5.09 119.74 117.99 2k8r s LYS 3 Ca 0.30 -0.78 -0.32 0.00 0.02 0.00 0.00 55.97 55.19 2k8r s LYS 3 Cb -0.16 0.24 -0.12 0.00 -0.52 0.00 0.00 37.83 37.27 2k8r s LYS 3 CO 0.11 -0.15 2.34 -2.30 -0.92 0.00 0.00 175.35 174.43 2k8r n PRO 4 N 0.69 0.93 -3.51 -1.68 -0.02 -1.26 -4.59 135.00 125.57 2k8r n PRO 4 Ca -0.19 0.18 -0.20 0.00 -2.02 0.00 0.00 63.50 61.27 2k8r n PRO 4 Cb 0.59 -2.59 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 2k8r n PRO 4 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2k8r s LYS 5 N 7.24 2.69 0.11 -0.52 2.20 0.38 -4.87 119.74 126.97 2k8r s LYS 5 Ca 1.11 -1.37 -0.11 0.00 -0.36 0.00 0.00 55.97 55.24 2k8r s LYS 5 Cb -0.72 -2.52 0.01 0.00 -1.51 0.00 0.00 37.83 33.09 2k8r s LYS 5 CO 0.42 -0.11 0.27 -0.48 -0.36 0.00 0.00 175.35 175.09 2k8r s LEU 6 N -4.14 1.05 -0.42 5.43 2.34 -1.26 -3.72 118.68 117.96 2k8r s LEU 6 Ca 0.47 -0.60 0.03 0.00 0.06 0.00 0.00 54.13 54.10 2k8r s LEU 6 Cb -0.06 1.30 0.12 0.00 -0.56 0.00 0.00 46.19 46.99 2k8r s LEU 6 CO 0.29 -0.80 0.16 -0.22 -1.06 0.00 0.00 176.35 174.72 2k8r s LEU 7 N -2.86 4.07 -0.09 1.48 2.96 -1.26 -2.48 118.68 120.49 2k8r s LEU 7 Ca 0.06 -2.49 -0.21 0.00 -0.22 0.00 0.00 54.13 51.27 2k8r s LEU 7 Cb 0.04 -1.48 -0.04 0.00 0.50 0.00 0.00 46.19 45.21 2k8r s LEU 7 CO -0.09 -0.31 0.60 -0.47 -1.32 0.00 0.00 176.35 174.76 2k8r s TYR 8 N 0.45 3.55 -0.24 5.38 6.14 0.19 -4.37 117.35 128.46 2k8r s TYR 8 Ca 0.14 1.09 -0.05 0.00 0.64 0.00 0.00 57.07 58.90 2k8r s TYR 8 Cb -0.22 -2.70 -0.01 0.00 0.42 0.00 0.00 41.96 39.46 2k8r s TYR 8 CO -0.06 0.12 -0.00 0.00 0.64 0.00 0.00 175.55 176.25 2k8r n SER 10 N 4.82 4.07 -1.78 0.00 7.64 -1.20 -4.18 113.62 123.00 2k8r n SER 10 Ca -0.17 -2.44 -0.00 0.00 1.01 0.00 0.00 58.87 57.26 2k8r n SER 10 Cb 0.50 -1.10 0.06 0.00 -1.01 0.00 0.00 64.21 62.66 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2k8r n ASN 11 N 5.32 1.81 0.00 6.43 4.05 -1.26 -4.77 115.26 126.84 2k8r n ASN 11 Ca 0.46 -2.60 0.00 0.00 0.45 0.00 0.00 54.58 52.89 2k8r n ASN 11 Cb 0.22 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 40.83 2k8r n ASN 11 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2k8r n GLY 12 N -0.27 -0.55 7.00 8.20 0.00 -1.26 -4.84 105.19 113.47 2k8r n GLY 12 Ca 0.14 -1.51 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2k8r n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k8r n GLY 13 N 0.04 1.03 3.02 -0.02 0.00 -1.26 -4.83 105.19 103.16 2k8r n GLY 13 Ca 0.00 -0.65 -0.13 0.00 0.00 0.00 0.00 46.02 45.25 2k8r n GLY 13 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k8r s HIS 14 N 0.00 0.52 -0.06 1.61 3.76 -1.26 -4.99 115.29 114.86 2k8r s HIS 14 Ca 0.00 -0.41 0.03 0.00 -0.15 0.00 0.00 55.06 54.53 2k8r s HIS 14 Cb 0.00 -0.32 0.01 0.00 1.11 0.00 0.00 32.58 33.38 2k8r s HIS 14 CO 0.00 -0.09 -0.14 -0.06 -0.85 0.00 0.00 174.74 173.61 2k8r s PHE 15 N -1.11 1.56 0.00 1.40 0.40 -1.08 0.10 117.98 119.25 2k8r s PHE 15 Ca -0.09 -0.56 0.00 0.00 -0.60 0.00 0.00 56.93 55.69 2k8r s PHE 15 Cb -0.08 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.34 2k8r s PHE 15 CO -0.00 -0.26 0.00 1.47 0.70 0.00 0.00 175.22 177.13 2k8r n LEU 16 N 3.67 0.00 -4.00 -0.37 -0.00 -1.24 -4.14 117.00 110.92 2k8r n LEU 16 Ca -0.22 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.61 2k8r n LEU 16 Cb 0.52 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.79 2k8r n LEU 16 CO 0.26 0.00 -0.43 -0.60 -0.00 0.00 0.00 177.39 176.62 2k8r s ARG 17 N 0.00 0.72 -0.03 1.47 3.52 -1.06 -3.91 118.95 119.66 2k8r s ARG 17 Ca 0.00 -0.29 0.04 0.00 -0.13 0.00 0.00 55.73 55.35 2k8r s ARG 17 Cb 0.00 -0.70 -0.01 0.00 -1.56 0.00 0.00 34.95 32.69 2k8r s ARG 17 CO 0.00 0.16 -0.16 -1.50 -0.81 0.00 0.00 175.30 172.99 2k8r s ILE 18 N -0.09 1.34 -0.19 4.11 1.10 -1.26 -0.56 121.20 125.65 2k8r s ILE 18 Ca 0.02 -0.68 -0.13 0.00 -0.51 0.00 0.00 60.65 59.34 2k8r s ILE 18 Cb -0.05 -1.14 -0.05 0.00 0.15 0.00 0.00 42.46 41.38 2k8r s ILE 18 CO -0.00 0.38 0.27 -0.76 -2.11 0.00 0.00 174.94 172.72 2k8r s LEU 19 N -0.10 4.20 0.48 8.50 2.01 0.64 -4.88 118.68 129.53 2k8r s LEU 19 Ca -0.00 0.40 0.32 0.00 0.01 0.00 0.00 54.13 54.86 2k8r s LEU 19 Cb -0.09 -2.31 1.43 0.00 0.01 0.00 0.00 46.19 45.22 2k8r s LEU 19 CO 0.01 0.07 1.73 1.55 1.01 0.00 0.00 176.35 180.72 2k8r h PRO 20 N 6.94 0.12 0.00 1.29 0.13 -1.85 0.67 132.00 139.30 2k8r h PRO 20 Ca -0.40 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k8r h PRO 20 Cb 1.16 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2k8r h PRO 20 CO 0.73 0.08 0.00 -0.25 -0.23 0.00 0.00 178.00 178.33 2k8r n ASP 21 N -4.38 0.61 0.00 1.44 8.00 -1.26 -4.58 116.55 116.39 2k8r n ASP 21 Ca 0.30 0.70 0.00 0.00 0.71 0.00 0.00 54.79 56.51 2k8r n ASP 21 Cb 1.29 -0.81 0.00 0.00 -0.02 0.00 0.00 41.12 41.58 2k8r n ASP 21 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2k8r n GLY 22 N -0.56 0.72 3.57 0.44 0.00 0.23 -4.91 105.19 104.67 2k8r n GLY 22 Ca 0.01 -0.82 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 2k8r n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8r s THR 23 N -1.31 0.00 -0.06 2.61 2.01 -0.98 -4.44 115.64 113.46 2k8r s THR 23 Ca 0.00 -0.01 0.04 0.00 0.31 0.00 0.00 61.69 62.03 2k8r s THR 23 Cb 0.00 -0.96 -0.02 0.00 0.01 0.00 0.00 72.50 71.53 2k8r s THR 23 CO 0.00 -0.01 -0.20 0.54 -0.69 0.00 0.00 174.62 174.26 2k8r s VAL 24 N -0.16 2.53 0.26 3.82 0.11 -1.26 0.23 120.40 125.92 2k8r s VAL 24 Ca -0.04 -0.90 0.03 0.00 -2.93 0.00 0.00 61.98 58.15 2k8r s VAL 24 Cb -0.03 -1.97 -0.01 0.00 -1.53 0.00 0.00 36.38 32.84 2k8r s VAL 24 CO 0.04 0.57 0.27 -0.90 -3.33 0.00 0.00 175.10 171.75 2k8r n ASP 25 N 2.81 -0.71 -4.71 3.54 5.75 0.27 -4.64 116.55 118.87 2k8r n ASP 25 Ca -0.17 -2.58 -0.31 0.00 -0.01 0.00 0.00 54.79 51.72 2k8r n ASP 25 Cb 0.52 1.50 0.14 0.00 -1.03 0.00 0.00 41.12 42.24 2k8r n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k8r s GLY 26 N -2.72 1.69 0.00 6.12 0.00 -1.25 -2.56 107.32 108.60 2k8r s GLY 26 Ca 0.27 0.47 0.00 0.00 0.00 0.00 0.00 44.72 45.46 2k8r s GLY 26 CO 0.19 0.86 0.00 2.41 0.00 0.00 0.00 173.10 176.56 2k8r n THR 27 N -3.94 0.00 -4.09 0.90 -1.04 0.29 -4.53 114.28 101.86 2k8r n THR 27 Ca 0.11 0.00 -0.29 0.00 -2.04 0.00 0.00 64.05 61.83 2k8r n THR 27 Cb 0.52 0.00 -0.17 0.00 -1.82 0.00 0.00 70.33 68.87 2k8r n THR 27 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2k8r s ARG 28 N -2.00 2.15 0.26 -2.82 1.70 -1.26 -2.62 118.95 114.36 2k8r s ARG 28 Ca 0.00 -0.51 -0.09 0.00 -0.47 0.00 0.00 55.73 54.67 2k8r s ARG 28 Cb 0.00 -1.97 -0.01 0.00 -0.57 0.00 0.00 34.95 32.40 2k8r s ARG 28 CO 0.00 -0.21 0.42 0.34 -1.08 0.00 0.00 175.30 174.78 2k8r s ASP 29 N 1.42 0.14 -1.31 -2.89 -1.08 -1.26 -5.07 116.67 106.61 2k8r s ASP 29 Ca 0.03 -1.12 -0.18 0.00 -0.52 0.00 0.00 52.55 50.76 2k8r s ASP 29 Cb -0.13 0.57 0.05 0.00 -1.46 0.00 0.00 42.92 41.95 2k8r s ASP 29 CO -0.08 -1.13 1.83 -1.14 0.52 0.00 0.00 175.17 175.17 2k8r n ARG 30 N -0.40 3.04 -3.96 4.34 3.00 -1.26 -4.29 116.66 117.14 2k8r n ARG 30 Ca -0.01 -3.11 -0.26 0.00 -0.00 0.00 0.00 57.85 54.47 2k8r n ARG 30 Cb 0.63 -3.47 -0.02 0.00 0.00 0.00 0.00 32.46 29.59 2k8r n ARG 30 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.63 178.06 2k8r n SER 31 N 8.35 -0.58 -1.31 6.15 7.64 -1.26 -4.94 113.62 127.67 2k8r n SER 31 Ca 0.49 -0.99 0.00 0.00 1.01 0.00 0.00 58.87 59.38 2k8r n SER 31 Cb 0.45 -3.10 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 2k8r n SER 31 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k8r n ASP 32 N -2.97 0.73 0.00 6.43 -0.08 -1.26 -4.60 116.55 114.79 2k8r n ASP 32 Ca -0.28 -0.96 0.00 0.00 -1.51 0.00 0.00 54.79 52.04 2k8r n ASP 32 Cb 0.67 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.13 2k8r n ASP 32 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 2k8r n GLN 33 N 0.00 0.00 -0.34 -0.67 7.27 -1.26 -4.76 117.38 117.61 2k8r n GLN 33 Ca 0.00 0.00 0.21 0.00 0.07 0.00 0.00 57.00 57.28 2k8r n GLN 33 Cb 0.00 0.00 0.45 0.00 2.41 0.00 0.00 30.24 33.10 2k8r n GLN 33 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 2k8r h HIS 34 N 0.00 0.92 0.00 3.69 6.17 -1.90 -3.39 115.15 120.63 2k8r h HIS 34 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 2k8r h HIS 34 Cb 0.00 -0.26 0.00 0.00 2.52 0.00 0.00 27.41 29.67 2k8r h HIS 34 CO 0.00 -0.03 0.00 -0.89 0.71 0.00 0.00 177.93 177.72 2k8r n ILE 35 N -4.89 0.00 -3.17 6.26 5.41 -1.26 -5.06 119.36 116.65 2k8r n ILE 35 Ca 0.29 0.00 0.04 0.00 1.00 0.00 0.00 62.75 64.08 2k8r n ILE 35 Cb 0.88 -0.01 -0.04 0.00 -0.71 0.00 0.00 39.64 39.76 2k8r n ILE 35 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 176.55 174.97 2k8r s GLN 36 N -1.05 0.02 -0.15 0.38 0.74 -1.26 -4.91 119.66 113.43 2k8r s GLN 36 Ca 0.00 0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.31 2k8r s GLN 36 Cb 0.00 0.03 -0.04 0.00 1.10 0.00 0.00 33.01 34.10 2k8r s GLN 36 CO 0.00 -0.01 0.38 -1.17 -0.55 0.00 0.00 175.29 173.94 2k8r s LEU 37 N 2.22 4.24 -0.05 3.68 0.20 -1.24 0.12 118.68 127.84 2k8r s LEU 37 Ca -0.01 0.63 0.05 0.00 0.69 0.00 0.00 54.13 55.49 2k8r s LEU 37 Cb -0.02 -2.52 -0.01 0.00 -0.43 0.00 0.00 46.19 43.21 2k8r s LEU 37 CO -0.14 0.03 -0.22 -1.10 -0.29 0.00 0.00 176.35 174.64 2k8r s GLN 38 N 0.65 2.20 -0.28 1.98 -0.21 0.32 0.14 119.66 124.47 2k8r s GLN 38 Ca 0.21 -0.77 -0.01 0.00 0.02 0.00 0.00 55.36 54.80 2k8r s GLN 38 Cb -0.14 -1.89 0.13 0.00 1.00 0.00 0.00 33.01 32.11 2k8r s GLN 38 CO 0.07 0.32 0.26 -1.17 -2.12 0.00 0.00 175.29 172.65 2k8r s LEU 39 N -0.08 -0.10 0.00 2.90 0.20 -1.25 0.18 118.68 120.53 2k8r s LEU 39 Ca -0.04 -0.79 0.00 0.00 0.69 0.00 0.00 54.13 53.99 2k8r s LEU 39 Cb -0.13 0.35 0.00 0.00 -0.43 0.00 0.00 46.19 45.99 2k8r s LEU 39 CO 0.03 -0.39 0.00 -1.20 -0.29 0.00 0.00 176.35 174.50 2k8r n SER 40 N 5.30 0.00 -0.28 3.68 7.64 -1.09 -4.32 113.62 124.54 2k8r n SER 40 Ca -0.03 0.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.85 2k8r n SER 40 Cb 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 2k8r n SER 40 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k8r n ALA 41 N 0.00 -0.02 -2.35 -0.43 0.00 -1.26 -4.10 120.51 112.36 2k8r n ALA 41 Ca 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 53.44 53.37 2k8r n ALA 41 Cb 0.00 -0.56 -0.09 0.00 0.00 0.00 0.00 19.45 18.79 2k8r n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8r s GLU 42 N -4.48 0.63 0.57 0.00 0.41 -1.26 -4.91 118.70 109.65 2k8r s GLU 42 Ca 0.01 -1.05 -0.20 0.00 -0.41 0.00 0.00 54.97 53.32 2k8r s GLU 42 Cb -0.00 0.23 -0.04 0.00 -1.78 0.00 0.00 34.13 32.53 2k8r s GLU 42 CO 0.01 -0.14 1.22 -1.54 -0.49 0.00 0.00 175.26 174.31 2k8r s SER 43 N -2.67 5.35 -0.16 -0.19 1.04 -1.26 -4.79 113.70 111.03 2k8r s SER 43 Ca 0.03 2.41 -0.24 0.00 0.48 0.00 0.00 55.95 58.63 2k8r s SER 43 Cb 0.05 -2.60 -0.11 0.00 0.10 0.00 0.00 66.02 63.45 2k8r s SER 43 CO -0.09 -1.48 0.75 0.55 0.98 0.00 0.00 173.24 173.95 2k8r n VAL 44 N -1.36 0.00 0.00 5.02 3.14 -1.26 0.28 118.33 124.15 2k8r n VAL 44 Ca 0.12 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2k8r n VAL 44 Cb 0.49 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.11 2k8r n VAL 44 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2k8r n GLY 45 N 1.63 2.46 3.72 7.55 0.00 -1.26 -4.99 105.19 114.29 2k8r n GLY 45 Ca 0.14 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 2k8r n GLY 45 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k8r s GLU 46 N 0.00 4.49 -0.01 1.61 2.02 0.14 -1.39 118.70 125.57 2k8r s GLU 46 Ca 0.00 1.73 0.02 0.00 0.02 0.00 0.00 54.97 56.73 2k8r s GLU 46 Cb 0.00 -3.33 -0.00 0.00 0.10 0.00 0.00 34.13 30.89 2k8r s GLU 46 CO 0.00 -0.14 -0.06 0.14 0.02 0.00 0.00 175.26 175.22 2k8r s VAL 47 N 0.64 0.51 -0.30 2.63 -7.23 0.17 -4.07 120.40 112.75 2k8r s VAL 47 Ca 0.55 -0.27 -0.07 0.00 -1.81 0.00 0.00 61.98 60.38 2k8r s VAL 47 Cb -0.29 -0.44 0.01 0.00 0.56 0.00 0.00 36.38 36.22 2k8r s VAL 47 CO 0.31 0.15 0.09 -0.47 -0.31 0.00 0.00 175.10 174.87 2k8r s TYR 48 N -0.09 3.16 -0.35 2.82 5.04 -1.26 -1.81 117.35 124.86 2k8r s TYR 48 Ca 0.02 -0.93 -0.17 0.00 -2.44 0.00 0.00 57.07 53.55 2k8r s TYR 48 Cb -0.03 -2.27 -0.01 0.00 0.35 0.00 0.00 41.96 40.00 2k8r s TYR 48 CO -0.00 -0.56 0.48 0.42 -1.34 0.00 0.00 175.55 174.55 2k8r s ILE 49 N 1.52 5.05 -0.25 3.14 1.01 -1.26 -2.69 121.20 127.72 2k8r s ILE 49 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2k8r s ILE 49 Cb -0.17 -3.93 0.04 0.00 0.01 0.00 0.00 42.46 38.41 2k8r s ILE 49 CO 0.03 -0.18 -0.09 -0.75 0.00 0.00 0.00 174.94 173.95 2k8r s LYS 50 N 2.31 2.62 -0.31 2.79 2.47 0.49 -3.78 119.74 126.32 2k8r s LYS 50 Ca 0.17 -1.11 -0.19 0.00 -1.56 0.00 0.00 55.97 53.28 2k8r s LYS 50 Cb -0.16 -2.93 -0.01 0.00 -1.46 0.00 0.00 37.83 33.28 2k8r s LYS 50 CO 0.13 -0.46 0.58 -1.12 0.16 0.00 0.00 175.35 174.64 2k8r s SER 51 N 1.24 6.43 0.07 1.43 0.01 -1.26 0.12 113.70 121.74 2k8r s SER 51 Ca -0.03 0.30 0.00 0.00 1.31 0.00 0.00 55.95 57.54 2k8r s SER 51 Cb -0.18 -2.30 0.00 0.00 0.21 0.00 0.00 66.02 63.75 2k8r s SER 51 CO -0.05 -0.45 0.00 0.41 0.41 0.00 0.00 173.24 173.55 2k8r n THR 52 N 5.38 -1.61 -0.20 1.44 -1.04 0.32 -3.94 114.28 114.64 2k8r n THR 52 Ca -0.03 0.34 0.01 0.00 -2.04 0.00 0.00 64.05 62.33 2k8r n THR 52 Cb 0.49 -0.53 0.10 0.00 -1.82 0.00 0.00 70.33 68.57 2k8r n THR 52 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k8r h GLU 53 N 0.24 0.15 -4.58 -2.82 4.57 -1.89 -3.43 114.58 106.82 2k8r h GLU 53 Ca 0.00 -0.01 -0.23 0.00 -1.18 0.00 0.00 59.36 57.94 2k8r h GLU 53 Cb 0.00 -0.03 -0.15 0.00 -0.16 0.00 0.00 28.75 28.41 2k8r h GLU 53 CO 0.00 0.10 -0.64 0.95 -1.18 0.00 0.00 179.01 178.24 2k8r s THR 54 N -6.14 0.23 0.00 0.32 -4.23 -1.26 -4.96 115.64 99.60 2k8r s THR 54 Ca -0.13 -1.95 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2k8r s THR 54 Cb 0.18 -2.22 0.00 0.00 1.34 0.00 0.00 72.50 71.80 2k8r s THR 54 CO 0.74 -0.32 0.00 0.61 -0.54 0.00 0.00 174.62 175.11 2k8r n GLY 55 N -0.20 2.30 3.77 3.99 0.00 -1.26 -4.92 105.19 108.86 2k8r n GLY 55 Ca -0.03 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 2k8r n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8r s GLN 56 N 0.00 3.57 -0.09 1.61 -1.52 -1.26 -3.89 119.66 118.09 2k8r s GLN 56 Ca 0.00 1.86 -0.04 0.00 -1.95 0.00 0.00 55.36 55.23 2k8r s GLN 56 Cb 0.00 -2.33 0.04 0.00 -0.22 0.00 0.00 33.01 30.50 2k8r s GLN 56 CO 0.00 -0.73 0.21 -0.47 -0.25 0.00 0.00 175.29 174.05 2k8r s TYR 57 N -1.51 -0.27 -0.17 0.91 5.04 -1.25 -4.41 117.35 115.69 2k8r s TYR 57 Ca 0.66 0.68 -0.25 0.00 -2.44 0.00 0.00 57.07 55.72 2k8r s TYR 57 Cb -0.31 -0.01 -0.02 0.00 0.35 0.00 0.00 41.96 41.97 2k8r s TYR 57 CO 0.37 -0.21 0.80 -1.17 -1.34 0.00 0.00 175.55 174.00 2k8r s LEU 58 N 1.29 4.18 -0.00 6.97 1.98 -1.25 0.11 118.68 131.96 2k8r s LEU 58 Ca -0.09 1.13 -0.07 0.00 -2.89 0.00 0.00 54.13 52.21 2k8r s LEU 58 Cb -0.11 -3.19 0.00 0.00 0.66 0.00 0.00 46.19 43.56 2k8r s LEU 58 CO -0.08 -0.37 0.14 0.00 -1.89 0.00 0.00 176.35 174.16 2k8r s ALA 59 N 2.05 -0.34 0.08 5.97 0.00 0.14 -4.65 121.76 125.01 2k8r s ALA 59 Ca 0.37 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.30 2k8r s ALA 59 Cb -0.17 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2k8r s ALA 59 CO 0.12 -0.20 -0.06 0.00 0.00 0.00 0.00 175.76 175.63 2k8r s MET 60 N -1.28 2.37 -0.01 0.00 0.23 -1.26 0.55 119.30 119.90 2k8r s MET 60 Ca -0.14 -0.89 -0.13 0.00 -1.03 0.00 0.00 55.69 53.50 2k8r s MET 60 Cb -0.07 -2.43 -0.05 0.00 -1.53 0.00 0.00 34.83 30.74 2k8r s MET 60 CO 0.02 0.54 0.36 0.34 -2.03 0.00 0.00 175.02 174.25 2k8r s ASP 61 N -2.06 6.73 0.37 -1.18 -1.08 0.39 -4.90 116.67 114.94 2k8r s ASP 61 Ca 0.22 0.87 0.16 0.00 -0.52 0.00 0.00 52.55 53.28 2k8r s ASP 61 Cb -0.11 -2.22 1.04 0.00 -1.46 0.00 0.00 42.92 40.18 2k8r s ASP 61 CO 0.14 0.33 1.75 0.00 0.52 0.00 0.00 175.17 177.90 2k8r h THR 62 N 3.69 0.50 -0.54 1.71 1.03 -2.00 0.34 112.91 117.64 2k8r h THR 62 Ca -0.52 -0.15 0.07 0.00 -0.01 0.00 0.00 66.41 65.80 2k8r h THR 62 Cb 1.22 0.02 -0.03 0.00 -1.07 0.00 0.00 68.15 68.29 2k8r h THR 62 CO 0.61 0.08 0.36 -0.78 -0.01 0.00 0.00 175.52 175.79 2k8r h ASP 63 N 0.44 0.41 0.00 0.00 3.58 -2.01 -3.46 116.42 115.39 2k8r h ASP 63 Ca 0.63 0.00 0.00 0.00 0.42 0.00 0.00 57.03 58.08 2k8r h ASP 63 Cb 1.47 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 42.43 2k8r h ASP 63 CO -0.37 0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.87 2k8r n GLY 64 N -1.50 0.65 2.95 -0.78 0.00 0.12 -3.93 105.19 102.70 2k8r n GLY 64 Ca 0.08 -0.43 -0.12 0.00 0.00 0.00 0.00 46.02 45.54 2k8r n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k8r s LEU 65 N 0.00 1.68 -0.18 0.99 1.98 -1.14 -0.25 118.68 121.76 2k8r s LEU 65 Ca 0.00 0.16 -0.08 0.00 -2.89 0.00 0.00 54.13 51.33 2k8r s LEU 65 Cb 0.00 0.28 -0.04 0.00 0.66 0.00 0.00 46.19 47.08 2k8r s LEU 65 CO 0.00 -0.03 0.08 -0.76 -1.89 0.00 0.00 176.35 173.75 2k8r s LEU 66 N 0.06 3.93 0.05 -0.68 1.02 -1.26 0.15 118.68 121.95 2k8r s LEU 66 Ca -0.00 0.15 -0.03 0.00 0.02 0.00 0.00 54.13 54.27 2k8r s LEU 66 Cb -0.01 -1.99 -0.03 0.00 0.02 0.00 0.00 46.19 44.18 2k8r s LEU 66 CO 0.00 0.20 0.02 -0.72 0.02 0.00 0.00 176.35 175.87 2k8r s TYR 67 N 0.20 0.41 -0.35 0.29 -0.85 0.19 -4.40 117.35 112.85 2k8r s TYR 67 Ca 0.05 -0.90 -0.02 0.00 -0.52 0.00 0.00 57.07 55.68 2k8r s TYR 67 Cb -0.12 -0.30 0.07 0.00 0.38 0.00 0.00 41.96 42.00 2k8r s TYR 67 CO -0.00 -0.40 0.09 0.20 -1.52 0.00 0.00 175.55 173.92 2k8r s GLY 68 N -2.76 1.86 -0.21 5.49 0.00 -1.26 0.24 107.32 110.68 2k8r s GLY 68 Ca 0.04 -2.09 -0.25 0.00 0.00 0.00 0.00 44.72 42.42 2k8r s GLY 68 CO -0.09 0.84 0.69 -0.45 0.00 0.00 0.00 173.10 174.08 2k8r s SER 69 N 1.46 -0.70 -0.66 1.64 0.15 0.31 -3.37 113.70 112.53 2k8r s SER 69 Ca 0.01 1.24 -0.26 0.00 0.70 0.00 0.00 55.95 57.64 2k8r s SER 69 Cb -0.21 1.22 -0.10 0.00 -1.71 0.00 0.00 66.02 65.22 2k8r s SER 69 CO -0.02 -0.32 2.39 -1.58 1.20 0.00 0.00 173.24 174.90 2k8r s GLN 70 N 0.02 1.86 -0.38 5.44 -0.44 -1.25 -3.95 119.66 120.95 2k8r s GLN 70 Ca -0.02 0.88 0.07 0.00 -2.50 0.00 0.00 55.36 53.78 2k8r s GLN 70 Cb -0.04 -4.70 0.18 0.00 -1.64 0.00 0.00 33.01 26.81 2k8r s GLN 70 CO 0.03 -3.88 0.58 0.99 0.50 0.00 0.00 175.29 173.51 2k8r s THR 71 N 13.45 -0.90 -0.10 -0.34 2.01 -1.26 -5.02 115.64 123.48 2k8r s THR 71 Ca 0.94 -0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.50 2k8r s THR 71 Cb -0.15 -0.26 -0.04 0.00 0.01 0.00 0.00 72.50 72.07 2k8r s THR 71 CO 0.16 -0.09 1.60 -2.16 -0.69 0.00 0.00 174.62 173.44 2k8r s PRO 72 N 1.94 4.10 -0.05 4.92 0.04 -1.26 -4.91 135.00 139.78 2k8r s PRO 72 Ca 0.15 2.01 -0.30 0.00 0.04 0.00 0.00 61.00 62.90 2k8r s PRO 72 Cb -0.07 -3.97 0.07 0.00 0.04 0.00 0.00 34.50 30.57 2k8r s PRO 72 CO -0.10 -0.93 0.67 1.21 0.04 0.00 0.00 177.00 177.88 2k8r s ASN 73 N 3.40 -0.64 0.41 6.66 3.84 -1.26 -5.03 114.94 122.32 2k8r s ASN 73 Ca 0.71 0.69 0.25 0.00 0.21 0.00 0.00 52.86 54.71 2k8r s ASN 73 Cb -0.30 0.53 1.30 0.00 -0.55 0.00 0.00 41.25 42.23 2k8r s ASN 73 CO 0.27 -0.61 1.66 -0.33 -2.79 0.00 0.00 177.10 175.31 2k8r h GLU 74 N 3.02 0.18 -0.12 0.43 5.08 -2.00 0.26 114.58 121.43 2k8r h GLU 74 Ca -0.27 -0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.11 2k8r h GLU 74 Cb 1.14 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k8r h GLU 74 CO 0.39 0.12 0.59 0.93 -1.00 0.00 0.00 179.01 180.04 2k8r h GLU 75 N 0.19 0.00 0.00 2.33 3.07 -1.96 0.37 114.58 118.58 2k8r h GLU 75 Ca 0.76 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.62 2k8r h GLU 75 Cb 2.18 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 30.09 2k8r h GLU 75 CO -0.44 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.17 2k8r s LEU 77 N -4.40 3.79 0.32 0.00 2.01 0.13 -4.31 118.68 116.22 2k8r s LEU 77 Ca 0.05 1.01 0.10 0.00 0.01 0.00 0.00 54.13 55.29 2k8r s LEU 77 Cb 0.09 -3.54 -0.06 0.00 0.01 0.00 0.00 46.19 42.69 2k8r s LEU 77 CO 0.39 -1.15 -0.12 -0.36 1.01 0.00 0.00 176.35 176.12 2k8r s PHE 78 N 4.51 2.35 -0.20 0.29 0.08 -0.75 -1.52 117.98 122.74 2k8r s PHE 78 Ca 0.55 -0.46 -0.02 0.00 0.12 0.00 0.00 56.93 57.11 2k8r s PHE 78 Cb -0.14 -1.26 -0.00 0.00 -0.57 0.00 0.00 43.02 41.05 2k8r s PHE 78 CO 0.25 0.61 -0.09 -1.17 -0.10 0.00 0.00 175.22 174.73 2k8r s LEU 79 N -3.57 2.72 -0.25 -0.37 1.98 0.17 0.42 118.68 119.78 2k8r s LEU 79 Ca 0.32 -0.43 -0.10 0.00 -2.89 0.00 0.00 54.13 51.03 2k8r s LEU 79 Cb 0.00 -1.67 -0.05 0.00 0.66 0.00 0.00 46.19 45.14 2k8r s LEU 79 CO 0.16 0.02 0.16 -0.70 -1.89 0.00 0.00 176.35 174.09 2k8r s GLU 80 N 1.25 3.99 -0.44 1.98 2.12 -0.48 -1.41 118.70 125.70 2k8r s GLU 80 Ca 0.03 -0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.08 2k8r s GLU 80 Cb -0.14 -3.54 0.12 0.00 0.26 0.00 0.00 34.13 30.82 2k8r s GLU 80 CO -0.04 -0.02 0.18 0.50 -0.54 0.00 0.00 175.26 175.34 2k8r s ARG 81 N 1.29 1.83 -0.23 4.30 3.52 0.29 -4.68 118.95 125.28 2k8r s ARG 81 Ca 0.07 -2.23 -0.26 0.00 -0.13 0.00 0.00 55.73 53.18 2k8r s ARG 81 Cb -0.14 -3.34 -0.00 0.00 -1.56 0.00 0.00 34.95 29.90 2k8r s ARG 81 CO 0.06 -1.04 0.88 -1.17 -0.81 0.00 0.00 175.30 173.22 2k8r s LEU 82 N 0.36 4.10 0.00 -0.88 2.96 -1.26 0.17 118.68 124.13 2k8r s LEU 82 Ca 0.14 1.14 0.23 0.00 -0.22 0.00 0.00 54.13 55.42 2k8r s LEU 82 Cb -0.22 -3.28 0.46 0.00 0.50 0.00 0.00 46.19 43.66 2k8r s LEU 82 CO -0.04 -0.53 1.43 1.21 -1.32 0.00 0.00 176.35 177.10 2k8r n GLU 83 N 5.93 2.51 0.00 1.98 2.13 -0.87 -4.96 120.64 127.35 2k8r n GLU 83 Ca 0.07 -2.28 0.00 0.00 0.66 0.00 0.00 57.16 55.60 2k8r n GLU 83 Cb 0.47 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.67 2k8r n GLU 83 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 2k8r n GLU 84 N 1.47 0.00 -0.32 5.31 2.13 -1.23 -4.80 120.64 123.20 2k8r n GLU 84 Ca 0.20 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 57.76 2k8r n GLU 84 Cb 0.60 -0.09 -0.07 0.00 0.27 0.00 0.00 31.44 32.15 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2k8r n ASN 85 N 1.56 0.73 -3.97 4.31 5.15 -1.26 -4.24 115.26 117.54 2k8r n ASN 85 Ca 0.00 -2.30 -0.31 0.00 -0.60 0.00 0.00 54.58 51.37 2k8r n ASN 85 Cb 0.00 -0.53 -0.05 0.00 -0.53 0.00 0.00 39.78 38.67 2k8r n ASN 85 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2k8r n HIS 86 N 7.22 -1.44 -3.61 1.20 1.44 -1.26 -4.84 115.22 113.93 2k8r n HIS 86 Ca 0.28 0.53 -0.03 0.00 -2.01 0.00 0.00 57.72 56.49 2k8r n HIS 86 Cb 0.24 -1.83 -0.01 0.00 0.12 0.00 0.00 29.99 28.51 2k8r n HIS 86 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 2k8r s TYR 87 N -2.95 -0.13 0.23 -1.40 1.13 -1.26 -4.70 117.35 108.27 2k8r s TYR 87 Ca 0.61 0.01 -0.08 0.00 -1.41 0.00 0.00 57.07 56.21 2k8r s TYR 87 Cb -0.35 0.55 -0.02 0.00 -1.10 0.00 0.00 41.96 41.04 2k8r s TYR 87 CO 0.75 -0.38 0.32 0.54 -2.51 0.00 0.00 175.55 174.27 2k8r s ASN 88 N -2.62 0.02 -0.04 -0.18 2.20 0.78 -2.06 114.94 113.04 2k8r s ASN 88 Ca 0.11 -1.13 0.06 0.00 -0.94 0.00 0.00 52.86 50.96 2k8r s ASN 88 Cb 0.01 0.49 -0.01 0.00 -2.00 0.00 0.00 41.25 39.74 2k8r s ASN 88 CO -0.04 -1.00 -0.23 -0.89 -2.94 0.00 0.00 177.10 171.99 2k8r s THR 89 N -4.08 1.88 -0.12 0.54 2.01 0.45 -3.12 115.64 113.20 2k8r s THR 89 Ca 0.30 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.33 2k8r s THR 89 Cb 0.03 -1.58 -0.00 0.00 0.01 0.00 0.00 72.50 70.96 2k8r s THR 89 CO 0.10 0.53 -0.20 -0.31 -0.69 0.00 0.00 174.62 174.05 2k8r s TYR 90 N -0.27 2.67 0.07 4.92 2.02 -1.26 0.11 117.35 125.60 2k8r s TYR 90 Ca 0.01 -0.99 0.01 0.00 -0.37 0.00 0.00 57.07 55.73 2k8r s TYR 90 Cb -0.12 -1.79 -0.04 0.00 -0.40 0.00 0.00 41.96 39.62 2k8r s TYR 90 CO 0.02 -0.40 -0.06 0.96 -1.57 0.00 0.00 175.55 174.50 2k8r s ILE 91 N 0.48 0.49 0.05 2.71 -4.36 -0.50 -2.85 121.20 117.23 2k8r s ILE 91 Ca -0.13 -1.69 -0.31 0.00 -0.26 0.00 0.00 60.65 58.26 2k8r s ILE 91 Cb -0.17 -1.36 -0.07 0.00 1.25 0.00 0.00 42.46 42.11 2k8r s ILE 91 CO 0.05 -0.80 1.46 -0.44 0.24 0.00 0.00 174.94 175.45 2k8r s SER 92 N -2.66 6.78 -0.14 4.36 0.01 -1.26 0.44 113.70 121.24 2k8r s SER 92 Ca 0.05 2.27 -0.26 0.00 1.31 0.00 0.00 55.95 59.32 2k8r s SER 92 Cb 0.02 -2.57 -0.23 0.00 0.21 0.00 0.00 66.02 63.45 2k8r s SER 92 CO -0.05 -0.74 0.69 0.50 0.41 0.00 0.00 173.24 174.05 2k8r h LYS 93 N 7.61 0.00 -0.14 12.44 3.11 -1.54 -3.37 116.57 134.68 2k8r h LYS 93 Ca -0.40 0.00 0.02 0.00 -2.81 0.00 0.00 60.65 57.46 2k8r h LYS 93 Cb 1.19 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.40 2k8r h LYS 93 CO 0.90 0.90 0.01 -0.22 -2.81 0.00 0.00 179.45 178.23 2k8r h LYS 94 N -1.00 0.06 -2.73 1.90 3.64 -1.83 -3.01 116.57 113.59 2k8r h LYS 94 Ca -0.01 -0.00 -0.65 0.00 -1.27 0.00 0.00 60.65 58.72 2k8r h LYS 94 Cb 0.91 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.67 2k8r h LYS 94 CO -0.00 0.04 2.81 0.72 -2.27 0.00 0.00 179.45 180.75 2k8r n HIS 95 N -5.11 2.24 -0.35 1.91 8.25 -1.26 -4.68 115.22 116.23 2k8r n HIS 95 Ca -0.04 -2.81 0.10 0.00 -0.26 0.00 0.00 57.72 54.72 2k8r n HIS 95 Cb 0.08 -2.13 0.30 0.00 1.12 0.00 0.00 29.99 29.36 2k8r n HIS 95 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k8r h ALA 96 N 4.58 1.64 -0.01 -1.41 0.00 -1.68 0.11 119.26 122.49 2k8r h ALA 96 Ca 0.73 0.04 -0.12 0.00 0.00 0.00 0.00 54.91 55.57 2k8r h ALA 96 Cb 0.41 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k8r h ALA 96 CO 1.50 0.06 -0.58 0.93 0.00 0.00 0.00 179.25 181.17 2k8r h GLU 97 N 0.85 0.03 -1.65 0.00 4.39 -1.91 -3.24 114.58 113.06 2k8r h GLU 97 Ca 0.53 -0.02 -0.63 0.00 0.34 0.00 0.00 59.36 59.58 2k8r h GLU 97 Cb 0.70 0.00 -0.39 0.00 -0.10 0.00 0.00 28.75 28.96 2k8r h GLU 97 CO -0.30 0.60 -0.38 1.63 -1.16 0.00 0.00 179.01 179.40 2k8r n LYS 98 N -3.86 3.32 -2.43 2.33 5.02 0.24 -5.02 118.16 117.76 2k8r n LYS 98 Ca -0.01 -4.35 -0.43 0.00 -2.02 0.00 0.00 58.31 51.50 2k8r n LYS 98 Cb 0.58 -2.26 -0.02 0.00 -0.02 0.00 0.00 35.03 33.31 2k8r n LYS 98 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2k8r s ASN 99 N -3.06 6.47 -0.02 4.39 4.22 -0.30 -4.85 114.94 121.79 2k8r s ASN 99 Ca 0.49 0.78 0.07 0.00 -2.14 0.00 0.00 52.86 52.06 2k8r s ASN 99 Cb 0.40 -2.54 -0.02 0.00 1.28 0.00 0.00 41.25 40.37 2k8r s ASN 99 CO -0.23 -1.33 -0.23 0.26 -2.04 0.00 0.00 177.10 173.53 2k8r s TRP 100 N 5.01 2.10 0.24 1.54 0.52 -1.26 -4.92 118.94 122.18 2k8r s TRP 100 Ca 0.57 -0.41 -0.30 0.00 0.02 0.00 0.00 56.10 55.97 2k8r s TRP 100 Cb -0.12 -1.35 -0.10 0.00 -1.15 0.00 0.00 33.47 30.74 2k8r s TRP 100 CO 0.31 -0.05 1.47 -0.06 0.02 0.00 0.00 176.95 178.64 2k8r s PHE 101 N -0.51 2.99 0.00 -1.98 0.08 -1.26 -4.21 117.98 113.09 2k8r s PHE 101 Ca 0.08 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.09 2k8r s PHE 101 Cb -0.09 -3.86 0.00 0.00 -0.57 0.00 0.00 43.02 38.50 2k8r s PHE 101 CO -0.01 -2.85 0.00 1.33 -0.10 0.00 0.00 175.22 173.59 2k8r n VAL 102 N 2.50 0.00 0.00 -0.44 0.24 -1.13 -4.67 118.33 114.82 2k8r n VAL 102 Ca 0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.38 2k8r n VAL 102 Cb 0.40 -0.91 0.00 0.00 -1.47 0.00 0.00 33.84 31.86 2k8r n VAL 102 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k8r n GLY 103 N 3.77 3.29 3.94 7.63 0.00 -1.26 -4.57 105.19 118.00 2k8r n GLY 103 Ca 0.00 -0.79 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 2k8r n GLY 103 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2k8r s LEU 104 N 0.00 3.19 -0.08 0.99 2.34 -1.26 0.05 118.68 123.91 2k8r s LEU 104 Ca 0.00 -0.85 0.05 0.00 0.06 0.00 0.00 54.13 53.39 2k8r s LEU 104 Cb 0.00 -1.83 -0.00 0.00 -0.56 0.00 0.00 46.19 43.80 2k8r s LEU 104 CO 0.00 -0.95 -0.23 -0.75 -1.06 0.00 0.00 176.35 173.36 2k8r s LYS 105 N -4.33 2.68 0.56 1.48 2.47 -0.85 -4.77 119.74 116.99 2k8r s LYS 105 Ca 0.49 -0.84 0.41 0.00 -1.56 0.00 0.00 55.97 54.47 2k8r s LYS 105 Cb -0.04 -2.14 1.58 0.00 -1.46 0.00 0.00 37.83 35.77 2k8r s LYS 105 CO 0.30 0.25 1.69 1.57 0.16 0.00 0.00 175.35 179.31 2k8r h LYS 106 N 6.45 0.00 -0.09 4.03 2.10 -1.88 0.87 116.57 128.05 2k8r h LYS 106 Ca -0.25 0.00 0.03 0.00 -2.00 0.00 0.00 60.65 58.42 2k8r h LYS 106 Cb 1.21 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2k8r h LYS 106 CO 0.47 0.00 0.08 -0.97 -2.00 0.00 0.00 179.45 177.03 2k8r h ASN 107 N 0.00 0.00 0.00 7.07 -0.73 -1.96 -3.33 115.58 116.63 2k8r h ASN 107 Ca 0.69 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.86 2k8r h ASN 107 Cb 2.84 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.43 2k8r h ASN 107 CO -0.01 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.66 2k8r n GLY 108 N -1.42 3.76 3.71 1.57 0.00 0.30 -5.00 105.19 108.11 2k8r n GLY 108 Ca -0.01 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.61 2k8r n GLY 108 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 109 N 0.00 7.14 0.45 1.61 0.01 -1.25 -4.39 113.70 117.27 2k8r s SER 109 Ca 0.00 1.37 -0.08 0.00 1.31 0.00 0.00 55.95 58.55 2k8r s SER 109 Cb 0.00 -2.48 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 2k8r s SER 109 CO 0.00 -0.19 0.79 0.00 0.41 0.00 0.00 173.24 174.25 2k8r s LYS 111 N -4.35 0.87 0.11 0.00 -0.14 0.11 -4.86 119.74 111.47 2k8r s LYS 111 Ca 0.49 -1.19 0.00 0.00 -1.36 0.00 0.00 55.97 53.91 2k8r s LYS 111 Cb -0.10 -2.22 0.00 0.00 -1.68 0.00 0.00 37.83 33.83 2k8r s LYS 111 CO 0.39 -0.96 0.00 -2.13 -0.76 0.00 0.00 175.35 171.89 2k8r n ARG 112 N 4.74 0.00 0.26 1.68 0.00 -1.20 -4.24 116.66 117.90 2k8r n ARG 112 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 57.85 57.69 2k8r n ARG 112 Cb 0.42 -0.29 -0.08 0.00 0.00 0.00 0.00 32.46 32.51 2k8r n ARG 112 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2k8r h GLY 113 N 0.00 -0.69 -0.94 5.14 0.00 -0.74 -3.32 103.07 102.52 2k8r h GLY 113 Ca 0.00 0.26 0.11 0.00 0.00 0.00 0.00 47.33 47.69 2k8r h GLY 113 CO 0.00 -0.25 -0.52 -2.55 0.00 0.00 0.00 176.54 173.22 2k8r h PRO 114 N -0.90 -0.03 -0.45 4.80 0.11 -1.82 -3.44 132.00 130.27 2k8r h PRO 114 Ca -0.07 0.00 0.24 0.00 0.11 0.00 0.00 66.00 66.29 2k8r h PRO 114 Cb 0.59 0.01 -0.30 0.00 0.11 0.00 0.00 31.00 31.42 2k8r h PRO 114 CO 0.11 -0.02 0.61 0.50 -0.21 0.00 0.00 178.00 178.99 2k8r s ARG 115 N -5.65 0.04 -0.12 1.05 3.52 -1.25 -5.15 118.95 111.38 2k8r s ARG 115 Ca -0.13 0.08 -0.00 0.00 -0.13 0.00 0.00 55.73 55.55 2k8r s ARG 115 Cb 0.14 0.04 0.03 0.00 -1.56 0.00 0.00 34.95 33.59 2k8r s ARG 115 CO 0.65 -0.01 -0.08 -0.08 -0.81 0.00 0.00 175.30 174.97 2k8r s THR 116 N 1.70 1.08 0.00 4.11 -1.32 -1.25 -4.70 115.64 115.26 2k8r s THR 116 Ca -0.02 -0.35 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 2k8r s THR 116 Cb -0.01 -1.11 0.00 0.00 -1.51 0.00 0.00 72.50 69.87 2k8r s THR 116 CO -0.14 0.36 0.00 1.41 -2.21 0.00 0.00 174.62 174.04 2k8r n HIS 117 N 4.92 0.00 -3.14 9.09 -0.00 -1.26 -4.81 115.22 120.02 2k8r n HIS 117 Ca -0.13 0.00 -0.34 0.00 -0.00 0.00 0.00 57.72 57.26 2k8r n HIS 117 Cb 0.50 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.43 2k8r n HIS 117 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 2k8r s TYR 118 N 0.00 3.46 0.00 4.41 2.02 -1.26 -4.80 117.35 121.18 2k8r s TYR 118 Ca 0.00 1.25 0.00 0.00 -0.37 0.00 0.00 57.07 57.95 2k8r s TYR 118 Cb 0.00 -2.55 0.00 0.00 -0.40 0.00 0.00 41.96 39.01 2k8r s TYR 118 CO 0.00 0.18 0.00 0.41 -1.57 0.00 0.00 175.55 174.57 2k8r n GLY 119 N -0.00 -1.14 0.34 0.71 0.00 -1.26 -4.43 105.19 99.41 2k8r n GLY 119 Ca 0.01 -1.06 0.33 0.00 0.00 0.00 0.00 46.02 45.30 2k8r n GLY 119 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k8r h GLN 120 N 0.00 0.00 -0.99 1.61 1.08 -1.94 0.74 115.11 115.61 2k8r h GLN 120 Ca 0.00 -0.00 0.29 0.00 -1.45 0.00 0.00 58.65 57.48 2k8r h GLN 120 Cb 0.00 -0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 27.39 2k8r h GLN 120 CO 0.00 0.00 0.71 1.57 -0.95 0.00 0.00 178.83 180.16 2k8r h LYS 121 N 0.00 0.03 -0.00 1.46 5.09 -1.86 0.31 116.57 121.61 2k8r h LYS 121 Ca 0.85 -0.00 -0.08 0.00 0.09 0.00 0.00 60.65 61.51 2k8r h LYS 121 Cb 2.31 -0.01 -0.01 0.00 0.10 0.00 0.00 32.23 34.62 2k8r h LYS 121 CO -0.74 0.02 -0.40 0.00 -2.09 0.00 0.00 179.45 176.24 2k8r h ALA 122 N 1.51 1.33 -1.05 0.07 0.00 0.30 -3.35 119.26 118.08 2k8r h ALA 122 Ca 0.48 -0.37 -0.36 0.00 0.00 0.00 0.00 54.91 54.66 2k8r h ALA 122 Cb 1.86 -0.06 -0.35 0.00 0.00 0.00 0.00 17.79 19.24 2k8r h ALA 122 CO -0.02 0.50 -1.02 -0.89 0.00 0.00 0.00 179.25 177.82 2k8r n ILE 123 N -4.06 0.47 -2.85 0.00 -0.00 0.90 -4.65 119.36 109.18 2k8r n ILE 123 Ca -0.02 -3.12 -0.11 0.00 -0.00 0.00 0.00 62.75 59.50 2k8r n ILE 123 Cb 0.43 0.53 0.02 0.00 -0.00 0.00 0.00 39.64 40.63 2k8r n ILE 123 CO 0.00 0.00 0.00 -0.11 -0.00 0.00 0.00 176.55 176.44 2k8r n LEU 124 N -0.02 -2.23 -4.45 1.39 7.94 -0.01 -4.92 117.00 114.71 2k8r n LEU 124 Ca 0.11 -3.62 -0.35 0.00 -1.11 0.00 0.00 56.01 51.05 2k8r n LEU 124 Cb 0.77 0.80 -0.13 0.00 0.53 0.00 0.00 43.42 45.39 2k8r n LEU 124 CO 0.19 2.02 -0.34 -0.36 -1.11 0.00 0.00 177.39 177.78 2k8r s PHE 125 N 0.28 3.02 -0.46 1.96 0.08 -1.18 -3.23 117.98 118.46 2k8r s PHE 125 Ca 0.33 -0.46 -0.04 0.00 0.12 0.00 0.00 56.93 56.88 2k8r s PHE 125 Cb 0.22 -2.05 0.12 0.00 -0.57 0.00 0.00 43.02 40.74 2k8r s PHE 125 CO -0.22 -0.21 0.27 -1.17 -0.10 0.00 0.00 175.22 173.79 2k8r s LEU 126 N 0.87 5.32 0.00 -0.37 2.96 0.41 -0.15 118.68 127.73 2k8r s LEU 126 Ca 0.00 -2.16 0.03 0.00 -0.22 0.00 0.00 54.13 51.78 2k8r s LEU 126 Cb -0.14 -1.86 0.05 0.00 0.50 0.00 0.00 46.19 44.73 2k8r s LEU 126 CO 0.02 -0.54 0.37 -0.81 -1.32 0.00 0.00 176.35 174.07 2k8r n PRO 127 N 4.44 0.70 -3.20 0.98 -0.04 -1.26 0.57 135.00 137.19 2k8r n PRO 127 Ca -0.01 -1.32 -0.38 0.00 -0.04 0.00 0.00 63.50 61.75 2k8r n PRO 127 Cb 0.41 -0.15 -0.06 0.00 -0.04 0.00 0.00 33.50 33.66 2k8r n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8r s LEU 128 N 0.00 4.47 0.58 1.53 2.96 -1.04 -4.90 118.68 122.29 2k8r s LEU 128 Ca 0.27 1.33 0.30 0.00 -0.22 0.00 0.00 54.13 55.81 2k8r s LEU 128 Cb -0.02 -3.16 1.39 0.00 0.50 0.00 0.00 46.19 44.90 2k8r s LEU 128 CO 0.17 0.19 1.77 -0.65 -1.32 0.00 0.00 176.35 176.51 2k8r h PRO 129 N 4.12 0.00 -6.10 0.98 0.11 -1.97 -3.42 132.00 125.72 2k8r h PRO 129 Ca -0.49 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 2k8r h PRO 129 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2k8r h PRO 129 CO 0.65 0.00 1.31 1.33 -0.21 0.00 0.00 178.00 181.07 2k8r n VAL 130 N -3.72 0.38 -3.62 3.15 0.24 -1.26 -4.91 118.33 108.60 2k8r n VAL 130 Ca 0.14 -0.25 -0.09 0.00 -2.04 0.00 0.00 64.34 62.10 2k8r n VAL 130 Cb 0.94 -1.96 -0.02 0.00 -1.47 0.00 0.00 33.84 31.33 2k8r n VAL 130 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2k8r s SER 131 N 6.28 -0.41 -0.48 -1.34 0.01 -1.26 -4.83 113.70 111.67 2k8r s SER 131 Ca 1.01 -0.26 -0.26 0.00 1.31 0.00 0.00 55.95 57.75 2k8r s SER 131 Cb -0.67 0.63 0.03 0.00 0.21 0.00 0.00 66.02 66.22 2k8r s SER 131 CO 0.47 -1.08 0.98 -0.44 0.41 0.00 0.00 173.24 173.58 2k8r s SER 132 N -2.81 6.51 0.00 2.44 0.01 -1.26 -4.97 113.70 113.62 2k8r s SER 132 Ca 0.06 0.15 0.00 0.00 1.31 0.00 0.00 55.95 57.46 2k8r s SER 132 Cb -0.03 -2.47 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2k8r s SER 132 CO -0.04 -1.13 0.49 -0.67 0.41 0.00 0.00 173.24 172.30