#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 4.08 0.09 -3.48 0.00 -1.26 -4.56 119.74 114.61 2k8r s LYS 2 Ca 0.00 0.78 -0.16 0.00 0.00 0.00 0.00 55.97 56.59 2k8r s LYS 2 Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 37.83 34.18 2k8r s LYS 2 CO 0.00 -0.61 0.40 0.15 0.00 0.00 0.00 175.35 175.29 2k8r s LYS 3 N 2.93 1.00 -0.77 1.78 1.02 -1.26 -5.08 119.74 119.37 2k8r s LYS 3 Ca 0.34 -0.59 -0.24 0.00 0.02 0.00 0.00 55.97 55.50 2k8r s LYS 3 Cb -0.15 0.44 -0.16 0.00 -0.52 0.00 0.00 37.83 37.45 2k8r s LYS 3 CO 0.10 -0.37 2.40 -2.30 -0.92 0.00 0.00 175.35 174.25 2k8r n PRO 4 N 0.05 0.55 -3.55 -1.68 -0.02 -1.26 -4.56 135.00 124.53 2k8r n PRO 4 Ca -0.17 -0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 60.62 2k8r n PRO 4 Cb 0.62 -3.08 -0.01 0.00 -0.02 0.00 0.00 33.50 31.01 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 8.49 3.35 0.05 -0.52 2.20 0.25 -4.64 119.74 128.93 2k8r s LYS 5 Ca 1.03 -0.61 -0.01 0.00 -0.36 0.00 0.00 55.97 56.02 2k8r s LYS 5 Cb -0.33 -2.75 -0.04 0.00 -1.51 0.00 0.00 37.83 33.20 2k8r s LYS 5 CO 0.23 0.18 -0.03 -0.48 -0.36 0.00 0.00 175.35 174.88 2k8r s LEU 6 N -4.21 2.47 -0.55 5.43 2.34 -1.26 -3.92 118.68 118.98 2k8r s LEU 6 Ca 0.40 -0.97 0.04 0.00 0.06 0.00 0.00 54.13 53.66 2k8r s LEU 6 Cb -0.09 0.19 0.14 0.00 -0.56 0.00 0.00 46.19 45.86 2k8r s LEU 6 CO 0.33 -0.58 0.30 -0.22 -1.06 0.00 0.00 176.35 175.12 2k8r s LEU 7 N -2.83 4.39 0.06 1.48 2.96 -1.26 -2.25 118.68 121.23 2k8r s LEU 7 Ca 0.06 -3.14 -0.20 0.00 -0.22 0.00 0.00 54.13 50.63 2k8r s LEU 7 Cb 0.07 -1.64 -0.06 0.00 0.50 0.00 0.00 46.19 45.05 2k8r s LEU 7 CO -0.09 -0.21 0.57 -0.47 -1.32 0.00 0.00 176.35 174.83 2k8r s TYR 8 N -0.47 3.79 -0.14 5.38 6.14 -0.29 -4.20 117.35 127.55 2k8r s TYR 8 Ca 0.18 1.26 0.02 0.00 0.64 0.00 0.00 57.07 59.17 2k8r s TYR 8 Cb -0.23 -2.52 0.02 0.00 0.42 0.00 0.00 41.96 39.65 2k8r s TYR 8 CO -0.02 0.55 -0.19 0.00 0.64 0.00 0.00 175.55 176.52 2k8r n SER 10 N 4.35 2.81 -1.99 0.00 7.64 -1.10 -4.23 113.62 121.11 2k8r n SER 10 Ca -0.19 -2.67 0.02 0.00 1.01 0.00 0.00 58.87 57.03 2k8r n SER 10 Cb 0.51 -1.17 0.03 0.00 -1.01 0.00 0.00 64.21 62.58 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 7.12 1.27 0.00 6.43 2.85 -1.26 -4.75 115.26 126.92 2k8r n ASN 11 Ca 0.50 -2.06 0.00 0.00 -0.11 0.00 0.00 54.58 52.90 2k8r n ASN 11 Cb 0.39 -0.37 0.00 0.00 1.24 0.00 0.00 39.78 41.03 2k8r n ASN 11 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k8r n GLY 12 N 0.05 -3.09 4.94 8.20 0.00 -1.26 -4.77 105.19 109.26 2k8r n GLY 12 Ca 0.07 -1.01 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.41 -1.34 3.25 -0.02 0.00 -1.26 -4.80 105.19 100.60 2k8r n GLY 13 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.34 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 1.55 -0.04 1.61 3.76 -1.26 -4.95 115.29 115.96 2k8r s HIS 14 Ca 0.00 -0.46 0.00 0.00 -0.15 0.00 0.00 55.06 54.45 2k8r s HIS 14 Cb 0.00 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.88 2k8r s HIS 14 CO 0.00 0.16 -0.00 -0.06 -0.85 0.00 0.00 174.74 173.99 2k8r s PHE 15 N -1.46 0.42 0.00 1.40 0.40 -0.79 0.38 117.98 118.34 2k8r s PHE 15 Ca 0.05 -0.04 0.00 0.00 -0.60 0.00 0.00 56.93 56.34 2k8r s PHE 15 Cb -0.09 -0.51 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2k8r s PHE 15 CO 0.04 -0.17 0.00 1.47 0.70 0.00 0.00 175.22 177.26 2k8r n LEU 16 N 4.33 0.00 -3.82 -0.37 -0.00 -1.24 -3.84 117.00 112.06 2k8r n LEU 16 Ca -0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.67 2k8r n LEU 16 Cb 0.50 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.79 2k8r n LEU 16 CO 0.20 0.00 -0.22 -0.60 -0.00 0.00 0.00 177.39 176.77 2k8r s ARG 17 N 0.00 0.15 -0.04 1.47 3.52 -1.22 -2.20 118.95 120.62 2k8r s ARG 17 Ca 0.00 0.19 0.01 0.00 -0.13 0.00 0.00 55.73 55.80 2k8r s ARG 17 Cb 0.00 0.06 0.02 0.00 -1.56 0.00 0.00 34.95 33.46 2k8r s ARG 17 CO 0.00 -0.03 -0.06 -1.50 -0.81 0.00 0.00 175.30 172.90 2k8r s ILE 18 N 0.14 0.65 -0.09 4.11 1.10 -1.26 -1.37 121.20 124.48 2k8r s ILE 18 Ca -0.01 -0.21 -0.19 0.00 -0.51 0.00 0.00 60.65 59.74 2k8r s ILE 18 Cb -0.02 -0.64 -0.04 0.00 0.15 0.00 0.00 42.46 41.91 2k8r s ILE 18 CO -0.00 0.24 0.51 -0.76 -2.11 0.00 0.00 174.94 172.82 2k8r s LEU 19 N 0.75 4.31 0.39 8.50 2.01 0.49 -4.86 118.68 130.26 2k8r s LEU 19 Ca -0.11 0.91 0.18 0.00 0.01 0.00 0.00 54.13 55.12 2k8r s LEU 19 Cb -0.14 -2.76 1.10 0.00 0.01 0.00 0.00 46.19 44.40 2k8r s LEU 19 CO 0.01 0.02 1.74 1.55 1.01 0.00 0.00 176.35 180.68 2k8r h PRO 20 N 6.47 0.38 -0.41 1.29 0.13 -1.87 0.47 132.00 138.47 2k8r h PRO 20 Ca -0.42 -0.02 0.12 0.00 -0.87 0.00 0.00 66.00 64.80 2k8r h PRO 20 Cb 1.19 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 2k8r h PRO 20 CO 0.74 0.25 0.33 -0.44 -0.23 0.00 0.00 178.00 178.65 2k8r h ASP 21 N 0.39 0.00 0.00 1.44 5.19 -1.94 -3.37 116.42 118.14 2k8r h ASP 21 Ca 0.63 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.04 2k8r h ASP 21 Cb 1.57 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.08 2k8r h ASP 21 CO -0.35 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.38 2k8r n GLY 22 N -1.57 0.47 3.53 2.75 0.00 0.16 -4.91 105.19 105.63 2k8r n GLY 22 Ca 0.07 -0.78 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.33 -0.00 -0.10 2.61 2.01 -1.01 -4.68 115.64 114.13 2k8r s THR 23 Ca 0.00 0.02 -0.01 0.00 0.31 0.00 0.00 61.69 62.01 2k8r s THR 23 Cb 0.00 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.60 2k8r s THR 23 CO 0.00 0.01 -0.07 0.54 -0.69 0.00 0.00 174.62 174.41 2k8r s VAL 24 N 1.01 3.67 0.22 3.82 0.11 -1.26 0.18 120.40 128.16 2k8r s VAL 24 Ca -0.05 -0.47 0.04 0.00 -2.93 0.00 0.00 61.98 58.56 2k8r s VAL 24 Cb -0.05 -2.54 -0.01 0.00 -1.53 0.00 0.00 36.38 32.24 2k8r s VAL 24 CO -0.09 0.56 0.13 -0.90 -3.33 0.00 0.00 175.10 171.47 2k8r n ASP 25 N 2.77 0.28 -4.76 3.54 5.75 -0.47 -4.18 116.55 119.49 2k8r n ASP 25 Ca -0.18 -2.31 -0.39 0.00 -0.01 0.00 0.00 54.79 51.90 2k8r n ASP 25 Cb 0.53 0.82 -0.05 0.00 -1.03 0.00 0.00 41.12 41.39 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 -2.44 2.75 0.14 6.12 0.00 -1.26 -3.44 107.32 109.19 2k8r s GLY 26 Ca 0.19 0.21 -0.22 0.00 0.00 0.00 0.00 44.72 44.90 2k8r s GLY 26 CO 0.13 0.94 0.57 -1.59 0.00 0.00 0.00 173.10 173.15 2k8r s THR 27 N -0.28 0.01 -0.06 0.90 2.01 0.16 -4.86 115.64 113.53 2k8r s THR 27 Ca 0.36 -0.10 0.06 0.00 0.31 0.00 0.00 61.69 62.31 2k8r s THR 27 Cb -0.20 -1.02 -0.01 0.00 0.01 0.00 0.00 72.50 71.27 2k8r s THR 27 CO 0.22 -0.06 -0.24 0.00 -0.69 0.00 0.00 174.62 173.85 2k8r s ARG 28 N -3.55 2.43 0.14 4.92 1.70 -1.26 -1.88 118.95 121.45 2k8r s ARG 28 Ca 0.00 -0.85 -0.24 0.00 -0.47 0.00 0.00 55.73 54.17 2k8r s ARG 28 Cb -0.00 -2.06 0.07 0.00 -0.57 0.00 0.00 34.95 32.38 2k8r s ARG 28 CO -0.11 0.35 0.77 0.34 -1.08 0.00 0.00 175.30 175.57 2k8r s ASP 29 N -0.12 -0.38 -1.12 -2.89 -1.08 -1.26 -5.07 116.67 104.76 2k8r s ASP 29 Ca -0.04 -0.21 -0.22 0.00 -0.52 0.00 0.00 52.55 51.56 2k8r s ASP 29 Cb -0.13 0.55 0.03 0.00 -1.46 0.00 0.00 42.92 41.91 2k8r s ASP 29 CO 0.04 -0.95 1.67 -0.60 0.52 0.00 0.00 175.17 175.84 2k8r s ARG 30 N -3.54 3.45 -1.53 4.34 6.06 -1.26 -4.07 118.95 122.39 2k8r s ARG 30 Ca 0.06 -1.30 -0.09 0.00 -2.50 0.00 0.00 55.73 51.90 2k8r s ARG 30 Cb -0.02 -5.36 0.07 0.00 0.06 0.00 0.00 34.95 29.70 2k8r s ARG 30 CO -0.05 -2.60 0.64 -1.13 -2.50 0.00 0.00 175.30 169.67 2k8r n SER 31 N 10.08 -2.06 -2.19 -2.12 3.41 -1.26 -4.94 113.62 114.53 2k8r n SER 31 Ca 0.41 -0.97 -0.08 0.00 -0.26 0.00 0.00 58.87 57.96 2k8r n SER 31 Cb 0.48 -3.08 -0.02 0.00 -0.26 0.00 0.00 64.21 61.33 2k8r n SER 31 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k8r n ASP 32 N -2.84 0.91 -0.77 4.04 -0.08 -1.26 -4.15 116.55 112.40 2k8r n ASP 32 Ca -0.12 -1.70 0.00 0.00 -1.51 0.00 0.00 54.79 51.46 2k8r n ASP 32 Cb 0.59 0.35 0.00 0.00 2.34 0.00 0.00 41.12 44.40 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 -0.29 0.27 -0.37 -0.67 0.00 -1.26 -4.67 117.38 110.39 2k8r n GLN 33 Ca -0.01 0.00 0.33 0.00 -0.00 0.00 0.00 57.00 57.32 2k8r n GLN 33 Cb 0.20 0.00 0.68 0.00 0.00 0.00 0.00 30.24 31.11 2k8r n GLN 33 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2k8r h HIS 34 N 0.70 0.26 0.00 3.69 6.17 -1.77 -3.36 115.15 120.84 2k8r h HIS 34 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 2k8r h HIS 34 Cb 0.00 -0.07 0.00 0.00 2.52 0.00 0.00 27.41 29.86 2k8r h HIS 34 CO 0.00 -0.01 0.00 -0.89 0.71 0.00 0.00 177.93 177.74 2k8r n ILE 35 N -4.35 0.00 -3.62 6.26 5.41 -1.26 -5.05 119.36 116.75 2k8r n ILE 35 Ca 0.29 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 64.01 2k8r n ILE 35 Cb 1.23 -0.17 -0.02 0.00 -0.71 0.00 0.00 39.64 39.98 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 -1.50 0.16 -0.06 0.38 0.74 -1.26 -4.89 119.66 113.23 2k8r s GLN 36 Ca 0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 55.36 55.32 2k8r s GLN 36 Cb 0.00 0.07 0.04 0.00 1.10 0.00 0.00 33.01 34.22 2k8r s GLN 36 CO 0.00 -0.07 0.11 -1.17 -0.55 0.00 0.00 175.29 173.61 2k8r s LEU 37 N -2.24 0.31 -0.08 3.68 0.20 -1.25 0.21 118.68 119.51 2k8r s LEU 37 Ca 0.11 0.21 0.05 0.00 0.69 0.00 0.00 54.13 55.19 2k8r s LEU 37 Cb 0.00 0.12 -0.01 0.00 -0.43 0.00 0.00 46.19 45.88 2k8r s LEU 37 CO -0.04 -0.21 -0.23 -1.10 -0.29 0.00 0.00 176.35 174.49 2k8r s GLN 38 N 1.86 2.77 -0.24 1.98 -0.21 0.35 -0.58 119.66 125.59 2k8r s GLN 38 Ca -0.01 -0.86 -0.04 0.00 0.02 0.00 0.00 55.36 54.48 2k8r s GLN 38 Cb -0.12 -2.27 0.09 0.00 1.00 0.00 0.00 33.01 31.72 2k8r s GLN 38 CO -0.05 0.33 0.16 -1.17 -2.12 0.00 0.00 175.29 172.44 2k8r s LEU 39 N -0.02 0.25 0.00 2.90 0.20 -1.26 0.17 118.68 120.92 2k8r s LEU 39 Ca -0.07 -0.83 0.00 0.00 0.69 0.00 0.00 54.13 53.92 2k8r s LEU 39 Cb -0.15 -0.06 0.00 0.00 -0.43 0.00 0.00 46.19 45.55 2k8r s LEU 39 CO 0.05 -0.39 0.00 -1.20 -0.29 0.00 0.00 176.35 174.52 2k8r n SER 40 N 5.28 0.00 -1.18 3.68 7.64 -0.66 -4.46 113.62 123.92 2k8r n SER 40 Ca -0.06 0.00 -0.01 0.00 1.01 0.00 0.00 58.87 59.82 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 -0.16 -3.43 -0.43 0.00 -1.26 -3.50 120.51 111.73 2k8r n ALA 41 Ca 0.00 -0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2k8r n ALA 41 Cb 0.00 -0.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.80 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 -3.93 1.76 0.43 0.00 0.41 -1.26 -4.70 118.70 111.41 2k8r s GLU 42 Ca 0.00 -1.26 -0.22 0.00 -0.41 0.00 0.00 54.97 53.08 2k8r s GLU 42 Cb -0.00 0.53 -0.10 0.00 -1.78 0.00 0.00 34.13 32.78 2k8r s GLU 42 CO 0.04 -0.77 1.00 -1.12 -0.49 0.00 0.00 175.26 173.91 2k8r s SER 43 N -3.02 6.74 -0.44 -0.19 0.01 -1.26 -4.85 113.70 110.68 2k8r s SER 43 Ca 0.19 1.85 -0.32 0.00 1.31 0.00 0.00 55.95 58.98 2k8r s SER 43 Cb -0.03 -2.56 -0.15 0.00 0.21 0.00 0.00 66.02 63.50 2k8r s SER 43 CO 0.10 -0.50 1.70 0.55 0.41 0.00 0.00 173.24 175.50 2k8r n VAL 44 N -0.54 0.00 0.00 3.43 3.14 -1.26 0.70 118.33 123.80 2k8r n VAL 44 Ca 0.07 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.45 2k8r n VAL 44 Cb 0.52 -0.38 0.00 0.00 -1.06 0.00 0.00 33.84 32.92 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 5.59 3.25 3.76 7.55 0.00 -1.26 -5.06 105.19 119.02 2k8r n GLY 45 Ca 0.43 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 45.16 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 4.52 -0.04 1.61 2.02 0.22 -2.58 118.70 124.45 2k8r s GLU 46 Ca 0.00 1.70 -0.04 0.00 0.02 0.00 0.00 54.97 56.65 2k8r s GLU 46 Cb 0.00 -3.01 0.01 0.00 0.10 0.00 0.00 34.13 31.23 2k8r s GLU 46 CO 0.00 0.13 0.11 0.14 0.02 0.00 0.00 175.26 175.66 2k8r s VAL 47 N -1.30 0.01 -0.27 2.63 -7.23 0.76 -3.99 120.40 111.00 2k8r s VAL 47 Ca 0.48 -0.08 -0.07 0.00 -1.81 0.00 0.00 61.98 60.51 2k8r s VAL 47 Cb -0.29 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.46 2k8r s VAL 47 CO 0.37 -0.04 0.06 -0.47 -0.31 0.00 0.00 175.10 174.70 2k8r s TYR 48 N -0.09 3.10 -0.26 2.82 5.04 -1.23 -1.64 117.35 125.09 2k8r s TYR 48 Ca -0.02 -0.76 -0.13 0.00 -2.44 0.00 0.00 57.07 53.73 2k8r s TYR 48 Cb -0.02 -2.23 -0.04 0.00 0.35 0.00 0.00 41.96 40.02 2k8r s TYR 48 CO 0.00 -0.49 0.30 0.42 -1.34 0.00 0.00 175.55 174.44 2k8r s ILE 49 N 1.54 5.24 -0.18 3.14 1.01 -1.25 -1.65 121.20 129.05 2k8r s ILE 49 Ca 0.05 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2k8r s ILE 49 Cb -0.16 -3.63 0.04 0.00 0.01 0.00 0.00 42.46 38.72 2k8r s ILE 49 CO 0.02 0.22 -0.09 -0.75 0.00 0.00 0.00 174.94 174.34 2k8r s LYS 50 N 1.76 1.86 -0.03 2.79 2.47 0.45 -4.11 119.74 124.94 2k8r s LYS 50 Ca 0.12 -0.67 -0.22 0.00 -1.56 0.00 0.00 55.97 53.65 2k8r s LYS 50 Cb -0.15 -2.20 -0.05 0.00 -1.46 0.00 0.00 37.83 33.97 2k8r s LYS 50 CO 0.09 -0.39 0.63 -1.12 0.16 0.00 0.00 175.35 174.72 2k8r s SER 51 N 1.50 6.98 0.33 1.43 0.01 -1.26 0.13 113.70 122.81 2k8r s SER 51 Ca 0.01 1.17 0.00 0.00 1.31 0.00 0.00 55.95 58.43 2k8r s SER 51 Cb -0.15 -2.38 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2k8r s SER 51 CO -0.08 0.02 0.00 0.41 0.41 0.00 0.00 173.24 174.00 2k8r n THR 52 N 3.13 -1.52 -0.27 1.44 -1.04 0.58 -3.92 114.28 112.67 2k8r n THR 52 Ca -0.05 0.78 -0.05 0.00 -2.04 0.00 0.00 64.05 62.69 2k8r n THR 52 Cb 0.51 -1.29 0.06 0.00 -1.82 0.00 0.00 70.33 67.79 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 0.02 1.03 -3.54 -2.82 4.57 -1.90 -3.44 114.58 108.51 2k8r h GLU 53 Ca -0.01 -0.11 -0.08 0.00 -1.18 0.00 0.00 59.36 57.98 2k8r h GLU 53 Cb 0.55 -0.21 -0.15 0.00 -0.16 0.00 0.00 28.75 28.78 2k8r h GLU 53 CO 0.00 0.75 -0.27 0.95 -1.18 0.00 0.00 179.01 179.26 2k8r s THR 54 N -5.91 0.11 0.00 0.32 -4.23 -1.26 -4.96 115.64 99.70 2k8r s THR 54 Ca -0.13 -0.87 0.00 0.00 -1.18 0.00 0.00 61.69 59.51 2k8r s THR 54 Cb 0.15 -1.13 0.00 0.00 1.34 0.00 0.00 72.50 72.85 2k8r s THR 54 CO 0.80 -0.48 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 2k8r n GLY 55 N 0.19 2.33 3.85 3.99 0.00 -1.26 -4.99 105.19 109.29 2k8r n GLY 55 Ca -0.17 -0.44 -0.31 0.00 0.00 0.00 0.00 46.02 45.09 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 3.45 -0.28 1.61 -1.52 -1.25 -4.20 119.66 117.47 2k8r s GLN 56 Ca 0.00 0.88 -0.04 0.00 -1.95 0.00 0.00 55.36 54.24 2k8r s GLN 56 Cb 0.00 -2.06 0.16 0.00 -0.22 0.00 0.00 33.01 30.89 2k8r s GLN 56 CO 0.00 -0.69 0.57 -0.47 -0.25 0.00 0.00 175.29 174.45 2k8r s TYR 57 N -3.00 -1.36 -0.40 0.91 6.14 -1.26 -4.57 117.35 113.82 2k8r s TYR 57 Ca 0.57 1.77 -0.29 0.00 0.64 0.00 0.00 57.07 59.76 2k8r s TYR 57 Cb -0.12 0.54 0.02 0.00 0.42 0.00 0.00 41.96 42.83 2k8r s TYR 57 CO 0.49 -0.76 1.11 -1.17 0.64 0.00 0.00 175.55 175.86 2k8r s LEU 58 N 2.81 3.79 0.05 6.97 1.98 -1.26 0.16 118.68 133.18 2k8r s LEU 58 Ca 0.10 0.77 0.06 0.00 -2.89 0.00 0.00 54.13 52.17 2k8r s LEU 58 Cb -0.14 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.14 2k8r s LEU 58 CO -0.19 -1.07 -0.16 0.00 -1.89 0.00 0.00 176.35 173.05 2k8r s ALA 59 N 4.06 1.33 0.04 5.97 0.00 0.28 -4.51 121.76 128.93 2k8r s ALA 59 Ca 0.47 -0.92 -0.03 0.00 0.00 0.00 0.00 51.96 51.47 2k8r s ALA 59 Cb -0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.77 2k8r s ALA 59 CO 0.23 0.26 0.24 0.00 0.00 0.00 0.00 175.76 176.50 2k8r s MET 60 N -1.28 3.51 0.04 0.00 0.23 -1.25 0.69 119.30 121.24 2k8r s MET 60 Ca 0.03 -0.25 -0.10 0.00 -1.03 0.00 0.00 55.69 54.33 2k8r s MET 60 Cb -0.08 -3.04 -0.06 0.00 -1.53 0.00 0.00 34.83 30.12 2k8r s MET 60 CO 0.02 0.62 0.37 0.34 -2.03 0.00 0.00 175.02 174.34 2k8r s ASP 61 N -2.10 6.65 0.30 -1.18 -1.08 0.54 -4.94 116.67 114.87 2k8r s ASP 61 Ca 0.31 0.79 0.05 0.00 -0.52 0.00 0.00 52.55 53.19 2k8r s ASP 61 Cb -0.13 -2.18 0.74 0.00 -1.46 0.00 0.00 42.92 39.89 2k8r s ASP 61 CO 0.21 0.23 1.75 0.00 0.52 0.00 0.00 175.17 177.88 2k8r h THR 62 N 3.13 0.62 0.16 1.71 1.03 -1.99 -1.63 112.91 115.94 2k8r h THR 62 Ca -0.50 -0.21 -0.01 0.00 -0.01 0.00 0.00 66.41 65.68 2k8r h THR 62 Cb 1.20 -0.05 0.00 0.00 -1.07 0.00 0.00 68.15 68.23 2k8r h THR 62 CO 0.65 0.11 -0.07 -0.78 -0.01 0.00 0.00 175.52 175.42 2k8r h ASP 63 N 0.62 -0.18 0.00 0.00 3.58 -2.00 -3.47 116.42 114.98 2k8r h ASP 63 Ca 0.57 -0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.95 2k8r h ASP 63 Cb 0.97 0.05 0.00 0.00 1.72 0.00 0.00 39.33 42.07 2k8r h ASP 63 CO -0.43 -0.04 0.00 0.61 -2.88 0.00 0.00 179.24 176.50 2k8r n GLY 64 N -0.92 0.00 3.03 -0.78 0.00 -0.61 -3.23 105.19 102.67 2k8r n GLY 64 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 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 2.01 -0.25 0.99 1.98 -1.23 -2.42 118.68 119.75 2k8r s LEU 65 Ca 0.00 -0.17 -0.09 0.00 -2.89 0.00 0.00 54.13 50.98 2k8r s LEU 65 Cb 0.00 -0.48 -0.04 0.00 0.66 0.00 0.00 46.19 46.33 2k8r s LEU 65 CO 0.00 0.11 0.12 -0.76 -1.89 0.00 0.00 176.35 173.93 2k8r s LEU 66 N -0.20 3.74 0.08 -0.68 1.02 -1.26 0.20 118.68 121.58 2k8r s LEU 66 Ca 0.03 -0.08 0.07 0.00 0.02 0.00 0.00 54.13 54.17 2k8r s LEU 66 Cb -0.04 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.13 2k8r s LEU 66 CO -0.00 -0.01 -0.18 -0.72 0.02 0.00 0.00 176.35 175.45 2k8r s TYR 67 N 1.50 1.57 -0.97 0.29 -0.85 0.22 -4.38 117.35 114.73 2k8r s TYR 67 Ca 0.06 -0.41 -0.08 0.00 -0.52 0.00 0.00 57.07 56.12 2k8r s TYR 67 Cb -0.15 -0.89 0.24 0.00 0.38 0.00 0.00 41.96 41.55 2k8r s TYR 67 CO 0.06 0.13 0.92 0.20 -1.52 0.00 0.00 175.55 175.33 2k8r s GLY 68 N -1.64 3.01 -0.03 5.49 0.00 -1.25 0.10 107.32 113.00 2k8r s GLY 68 Ca 0.04 -3.68 0.02 0.00 0.00 0.00 0.00 44.72 41.10 2k8r s GLY 68 CO 0.03 1.27 -0.07 -0.56 0.00 0.00 0.00 173.10 173.77 2k8r s SER 69 N 1.20 1.03 -0.68 1.64 0.01 0.12 -4.04 113.70 112.99 2k8r s SER 69 Ca 0.26 -0.15 -0.25 0.00 1.31 0.00 0.00 55.95 57.11 2k8r s SER 69 Cb -0.10 -0.35 -0.13 0.00 0.21 0.00 0.00 66.02 65.65 2k8r s SER 69 CO -0.09 0.02 2.44 1.67 0.41 0.00 0.00 173.24 177.69 2k8r n GLN 70 N 3.53 0.69 -3.21 12.44 0.00 -1.26 -4.31 117.38 125.26 2k8r n GLN 70 Ca -0.20 -0.26 -0.09 0.00 -0.00 0.00 0.00 57.00 56.45 2k8r n GLN 70 Cb 0.53 -3.10 -0.04 0.00 0.00 0.00 0.00 30.24 27.63 2k8r n GLN 70 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2k8r s THR 71 N 11.74 -0.64 -0.25 1.69 2.01 -1.26 -5.03 115.64 123.90 2k8r s THR 71 Ca 1.04 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 61.99 2k8r s THR 71 Cb -0.35 -0.35 -0.07 0.00 0.01 0.00 0.00 72.50 71.74 2k8r s THR 71 CO 0.26 -0.32 2.22 -0.81 -0.69 0.00 0.00 174.62 175.27 2k8r n PRO 72 N 3.99 1.75 -3.43 4.92 -0.04 -1.26 -4.92 135.00 136.00 2k8r n PRO 72 Ca 0.14 0.47 -0.12 0.00 -0.04 0.00 0.00 63.50 63.95 2k8r n PRO 72 Cb 0.51 -3.05 -0.02 0.00 -0.04 0.00 0.00 33.50 30.90 2k8r n PRO 72 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2k8r s ASN 73 N 8.09 -0.56 0.61 3.54 3.84 -1.26 -5.02 114.94 124.18 2k8r s ASN 73 Ca 1.03 0.03 0.33 0.00 0.21 0.00 0.00 52.86 54.47 2k8r s ASN 73 Cb -0.46 0.59 1.95 0.00 -0.55 0.00 0.00 41.25 42.78 2k8r s ASN 73 CO 0.39 -0.94 2.25 -0.33 -2.79 0.00 0.00 177.10 175.68 2k8r h GLU 74 N 2.08 0.00 -0.07 0.43 5.08 -2.00 -2.11 114.58 117.98 2k8r h GLU 74 Ca -0.34 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.05 2k8r h GLU 74 Cb 1.30 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 2k8r h GLU 74 CO 0.38 0.00 0.50 0.93 -1.00 0.00 0.00 179.01 179.82 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.94 0.52 114.58 119.88 2k8r h GLU 75 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2k8r h GLU 75 Cb 0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k8r h GLU 75 CO -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.85 2k8r s LEU 77 N -2.54 3.75 0.37 0.00 2.01 0.18 -3.87 118.68 118.58 2k8r s LEU 77 Ca 0.27 0.10 0.08 0.00 0.01 0.00 0.00 54.13 54.59 2k8r s LEU 77 Cb 0.18 -3.20 -0.07 0.00 0.01 0.00 0.00 46.19 43.12 2k8r s LEU 77 CO 0.41 -1.28 -0.03 -0.36 1.01 0.00 0.00 176.35 176.10 2k8r s PHE 78 N 4.36 2.41 -0.24 0.29 0.08 -0.65 -0.87 117.98 123.36 2k8r s PHE 78 Ca 0.40 -0.62 -0.03 0.00 0.12 0.00 0.00 56.93 56.80 2k8r s PHE 78 Cb -0.09 -1.56 0.01 0.00 -0.57 0.00 0.00 43.02 40.81 2k8r s PHE 78 CO 0.26 0.47 -0.04 -1.17 -0.10 0.00 0.00 175.22 174.63 2k8r s LEU 79 N -3.64 3.12 -0.69 -0.37 1.98 0.15 -0.17 118.68 119.05 2k8r s LEU 79 Ca 0.34 -0.68 -0.19 0.00 -2.89 0.00 0.00 54.13 50.70 2k8r s LEU 79 Cb 0.07 -1.71 0.11 0.00 0.66 0.00 0.00 46.19 45.32 2k8r s LEU 79 CO 0.17 -0.09 0.86 -0.70 -1.89 0.00 0.00 176.35 174.69 2k8r s GLU 80 N 1.40 3.21 -0.81 1.98 2.12 -1.07 -2.32 118.70 123.22 2k8r s GLU 80 Ca 0.03 -1.38 -0.15 0.00 0.36 0.00 0.00 54.97 53.82 2k8r s GLU 80 Cb -0.16 -4.40 0.19 0.00 0.26 0.00 0.00 34.13 30.02 2k8r s GLU 80 CO -0.04 -1.64 0.81 0.50 -0.54 0.00 0.00 175.26 174.36 2k8r s ARG 81 N 2.83 3.52 -0.22 4.30 3.52 0.17 -4.85 118.95 128.22 2k8r s ARG 81 Ca 0.19 -2.19 -0.19 0.00 -0.13 0.00 0.00 55.73 53.41 2k8r s ARG 81 Cb -0.17 -4.50 -0.03 0.00 -1.56 0.00 0.00 34.95 28.69 2k8r s ARG 81 CO 0.03 -1.40 0.55 -1.17 -0.81 0.00 0.00 175.30 172.49 2k8r s LEU 82 N 0.94 4.12 -0.17 -0.88 2.96 -1.26 0.12 118.68 124.50 2k8r s LEU 82 Ca 0.19 0.67 0.16 0.00 -0.22 0.00 0.00 54.13 54.93 2k8r s LEU 82 Cb -0.12 -2.74 0.72 0.00 0.50 0.00 0.00 46.19 44.56 2k8r s LEU 82 CO -0.07 -0.24 1.64 1.21 -1.32 0.00 0.00 176.35 177.57 2k8r n GLU 83 N 5.09 4.10 0.00 1.98 2.13 -0.61 -4.96 120.64 128.37 2k8r n GLU 83 Ca -0.04 -2.98 0.00 0.00 0.66 0.00 0.00 57.16 54.81 2k8r n GLU 83 Cb 0.50 -2.03 0.00 0.00 0.27 0.00 0.00 31.44 30.18 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 0.66 0.00 -0.47 5.31 2.13 -1.25 -4.77 120.64 122.25 2k8r n GLU 84 Ca 0.26 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.80 2k8r n GLU 84 Cb 1.01 -0.08 -0.06 0.00 0.27 0.00 0.00 31.44 32.58 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 1.19 1.34 -3.48 4.31 5.15 -1.26 -4.34 115.26 118.17 2k8r n ASN 85 Ca 0.00 -2.35 -0.24 0.00 -0.60 0.00 0.00 54.58 51.39 2k8r n ASN 85 Cb 0.00 -0.66 -0.04 0.00 -0.53 0.00 0.00 39.78 38.55 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 6.97 -1.31 -3.51 1.20 1.44 -1.26 -4.85 115.22 113.89 2k8r n HIS 86 Ca 0.32 0.38 -0.18 0.00 -2.01 0.00 0.00 57.72 56.24 2k8r n HIS 86 Cb 0.25 -1.36 -0.06 0.00 0.12 0.00 0.00 29.99 28.94 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 -2.54 -0.65 0.07 -1.40 -0.85 -1.26 -4.66 117.35 106.06 2k8r s TYR 87 Ca 0.47 1.08 -0.08 0.00 -0.52 0.00 0.00 57.07 58.01 2k8r s TYR 87 Cb -0.27 0.42 -0.00 0.00 0.38 0.00 0.00 41.96 42.49 2k8r s TYR 87 CO 0.57 -0.62 0.18 0.54 -1.52 0.00 0.00 175.55 174.70 2k8r s ASN 88 N -1.29 0.12 -0.17 -0.18 2.20 -0.65 -1.57 114.94 113.40 2k8r s ASN 88 Ca -0.10 -0.60 0.00 0.00 -0.94 0.00 0.00 52.86 51.22 2k8r s ASN 88 Cb -0.00 0.32 0.00 0.00 -2.00 0.00 0.00 41.25 39.57 2k8r s ASN 88 CO 0.08 -0.68 -0.15 0.42 -2.94 0.00 0.00 177.10 173.83 2k8r s THR 89 N -3.53 2.58 -0.32 0.54 -4.23 0.32 -3.49 115.64 107.51 2k8r s THR 89 Ca 0.02 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 2k8r s THR 89 Cb 0.03 -2.09 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 2k8r s THR 89 CO -0.09 0.51 0.18 -0.31 -0.54 0.00 0.00 174.62 174.37 2k8r s TYR 90 N 0.98 3.19 0.12 3.99 2.02 -1.26 -0.65 117.35 125.75 2k8r s TYR 90 Ca -0.02 -0.48 0.08 0.00 -0.37 0.00 0.00 57.07 56.28 2k8r s TYR 90 Cb -0.15 -2.39 -0.04 0.00 -0.40 0.00 0.00 41.96 38.99 2k8r s TYR 90 CO -0.03 -0.43 -0.19 0.96 -1.57 0.00 0.00 175.55 174.29 2k8r s ILE 91 N 1.64 1.66 0.04 2.71 -4.36 -0.98 -3.09 121.20 118.82 2k8r s ILE 91 Ca 0.05 -1.66 -0.30 0.00 -0.26 0.00 0.00 60.65 58.47 2k8r s ILE 91 Cb -0.17 -1.61 -0.07 0.00 1.25 0.00 0.00 42.46 41.86 2k8r s ILE 91 CO 0.07 -0.19 1.57 -0.44 0.24 0.00 0.00 174.94 176.19 2k8r s SER 92 N -2.20 6.69 -0.04 4.36 0.01 -1.26 0.31 113.70 121.57 2k8r s SER 92 Ca 0.09 2.34 -0.05 0.00 1.31 0.00 0.00 55.95 59.65 2k8r s SER 92 Cb -0.08 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.56 2k8r s SER 92 CO 0.05 -0.83 0.30 0.50 0.41 0.00 0.00 173.24 173.66 2k8r h LYS 93 N 8.23 -0.17 -0.94 12.44 3.11 -1.27 -3.11 116.57 134.85 2k8r h LYS 93 Ca -0.41 0.01 0.17 0.00 -2.81 0.00 0.00 60.65 57.62 2k8r h LYS 93 Cb 1.19 0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 32.38 2k8r h LYS 93 CO 0.92 -0.11 0.60 -0.22 -2.81 0.00 0.00 179.45 177.83 2k8r h LYS 94 N -0.62 0.64 -1.13 1.90 3.64 -1.84 -0.34 116.57 118.81 2k8r h LYS 94 Ca -0.02 -0.04 -0.55 0.00 -1.27 0.00 0.00 60.65 58.78 2k8r h LYS 94 Cb 0.13 -0.14 -0.25 0.00 -0.41 0.00 0.00 32.23 31.56 2k8r h LYS 94 CO 0.03 0.42 0.70 0.72 -2.27 0.00 0.00 179.45 179.06 2k8r n HIS 95 N -4.61 2.70 -0.34 1.91 8.25 -1.25 -4.68 115.22 117.19 2k8r n HIS 95 Ca 0.20 -2.50 0.22 0.00 -0.26 0.00 0.00 57.72 55.38 2k8r n HIS 95 Cb 0.56 -1.22 0.45 0.00 1.12 0.00 0.00 29.99 30.90 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 1.71 1.89 -0.57 -1.41 0.00 -0.98 0.63 119.26 120.53 2k8r h ALA 96 Ca 0.52 0.17 0.16 0.00 0.00 0.00 0.00 54.91 55.77 2k8r h ALA 96 Cb 1.18 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.08 2k8r h ALA 96 CO 1.27 -0.49 0.56 0.93 0.00 0.00 0.00 179.25 181.51 2k8r h GLU 97 N 0.39 0.00 -1.16 0.00 4.39 -1.86 -0.54 114.58 115.79 2k8r h GLU 97 Ca 0.71 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.95 2k8r h GLU 97 Cb 1.54 0.00 -0.41 0.00 -0.10 0.00 0.00 28.75 29.78 2k8r h GLU 97 CO -0.58 0.00 -0.99 1.63 -1.16 0.00 0.00 179.01 177.91 2k8r n LYS 98 N -3.79 2.18 -1.22 2.33 5.02 0.22 -5.01 118.16 117.90 2k8r n LYS 98 Ca 0.11 -3.80 -0.38 0.00 -2.02 0.00 0.00 58.31 52.22 2k8r n LYS 98 Cb 0.77 -1.70 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 2k8r n LYS 98 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2k8r n ASN 99 N -0.28 2.14 -4.84 4.39 6.94 -0.21 -4.81 115.26 118.58 2k8r n ASN 99 Ca 0.22 -2.62 -0.35 0.00 -0.02 0.00 0.00 54.58 51.81 2k8r n ASN 99 Cb 0.76 -1.15 -0.06 0.00 -2.36 0.00 0.00 39.78 36.98 2k8r n ASN 99 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 2k8r s TRP 100 N 7.93 3.61 0.14 -2.53 0.52 -1.26 -4.84 118.94 122.51 2k8r s TRP 100 Ca 0.65 1.06 -0.30 0.00 0.02 0.00 0.00 56.10 57.52 2k8r s TRP 100 Cb 0.10 -2.37 -0.08 0.00 -1.15 0.00 0.00 33.47 29.97 2k8r s TRP 100 CO 0.19 0.43 1.29 -0.06 0.02 0.00 0.00 176.95 178.82 2k8r s PHE 101 N -1.46 3.32 0.00 -1.98 0.08 -1.26 -4.37 117.98 112.31 2k8r s PHE 101 Ca 0.37 1.19 0.00 0.00 0.12 0.00 0.00 56.93 58.62 2k8r s PHE 101 Cb -0.15 -3.56 0.00 0.00 -0.57 0.00 0.00 43.02 38.74 2k8r s PHE 101 CO 0.19 -1.79 0.00 1.33 -0.10 0.00 0.00 175.22 174.85 2k8r n VAL 102 N 3.26 0.00 0.00 -0.44 0.24 -1.18 -4.63 118.33 115.58 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 0.44 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 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 3.97 1.97 4.02 7.63 0.00 -1.26 -4.56 105.19 116.94 2k8r n GLY 103 Ca 0.00 -1.05 -0.18 0.00 0.00 0.00 0.00 46.02 44.79 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 3.42 -0.01 0.99 2.34 -1.26 -2.09 118.68 122.07 2k8r s LEU 104 Ca 0.00 -0.61 0.08 0.00 0.06 0.00 0.00 54.13 53.66 2k8r s LEU 104 Cb 0.00 -2.22 -0.02 0.00 -0.56 0.00 0.00 46.19 43.39 2k8r s LEU 104 CO 0.00 -1.00 -0.26 -0.75 -1.06 0.00 0.00 176.35 173.28 2k8r s LYS 105 N -4.47 2.05 0.45 1.48 2.47 0.44 -4.90 119.74 117.26 2k8r s LYS 105 Ca 0.57 -0.96 0.27 0.00 -1.56 0.00 0.00 55.97 54.29 2k8r s LYS 105 Cb -0.08 -2.03 1.33 0.00 -1.46 0.00 0.00 37.83 35.58 2k8r s LYS 105 CO 0.35 0.55 1.73 1.57 0.16 0.00 0.00 175.35 179.71 2k8r h LYS 106 N 5.34 0.19 -0.65 4.03 2.10 -1.86 0.52 116.57 126.25 2k8r h LYS 106 Ca -0.44 -0.01 0.19 0.00 -2.00 0.00 0.00 60.65 58.39 2k8r h LYS 106 Cb 1.13 -0.04 -0.03 0.00 -0.90 0.00 0.00 32.23 32.39 2k8r h LYS 106 CO 0.46 0.13 0.62 -0.97 -2.00 0.00 0.00 179.45 177.69 2k8r h ASN 107 N 0.20 0.00 0.00 7.07 -0.73 -1.97 -3.36 115.58 116.79 2k8r h ASN 107 Ca 0.67 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.84 2k8r h ASN 107 Cb 2.08 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.67 2k8r h ASN 107 CO -0.25 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.42 2k8r n GLY 108 N -1.58 0.86 3.30 1.57 0.00 0.18 -5.01 105.19 104.51 2k8r n GLY 108 Ca 0.13 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.01 2k8r n GLY 108 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k8r s SER 109 N -1.51 -0.28 0.00 1.61 1.04 -1.11 -4.86 113.70 108.59 2k8r s SER 109 Ca 0.00 0.15 0.04 0.00 0.48 0.00 0.00 55.95 56.62 2k8r s SER 109 Cb 0.00 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 2k8r s SER 109 CO 0.00 -0.53 -0.10 0.00 0.98 0.00 0.00 173.24 173.59 2k8r s LYS 111 N -1.30 1.64 0.00 0.00 -0.14 -0.89 -4.83 119.74 114.22 2k8r s LYS 111 Ca 0.16 -2.26 0.00 0.00 -1.36 0.00 0.00 55.97 52.51 2k8r s LYS 111 Cb -0.11 -2.96 0.00 0.00 -1.68 0.00 0.00 37.83 33.08 2k8r s LYS 111 CO 0.06 -1.09 0.00 -2.13 -0.76 0.00 0.00 175.35 171.43 2k8r n ARG 112 N 3.50 0.35 -0.01 1.68 0.00 -1.02 -4.62 116.66 116.54 2k8r n ARG 112 Ca 0.05 0.00 -0.07 0.00 -0.00 0.00 0.00 57.85 57.83 2k8r n ARG 112 Cb 0.35 -0.97 -0.06 0.00 0.00 0.00 0.00 32.46 31.78 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 -0.11 -0.53 5.14 0.00 -1.51 -3.37 103.07 102.69 2k8r h GLY 113 Ca 0.00 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.51 2k8r h GLY 113 CO 0.00 -0.04 -0.23 -2.55 0.00 0.00 0.00 176.54 173.72 2k8r h PRO 114 N -0.97 -0.03 0.00 4.80 0.11 -1.89 -3.45 132.00 130.57 2k8r h PRO 114 Ca -0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.10 2k8r h PRO 114 Cb 0.45 0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.57 2k8r h PRO 114 CO 0.02 -0.02 0.00 -2.13 -0.21 0.00 0.00 178.00 175.66 2k8r n ARG 115 N -5.49 0.00 -3.70 1.05 0.63 -1.26 -5.16 116.66 102.73 2k8r n ARG 115 Ca 0.09 0.00 -0.19 0.00 -0.92 0.00 0.00 57.85 56.83 2k8r n ARG 115 Cb 0.38 0.00 -0.18 0.00 0.45 0.00 0.00 32.46 33.12 2k8r n ARG 115 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 2k8r s THR 116 N -0.94 -0.06 0.00 5.15 -1.32 -1.26 -4.60 115.64 112.60 2k8r s THR 116 Ca 0.00 0.36 0.00 0.00 -1.21 0.00 0.00 61.69 60.84 2k8r s THR 116 Cb 0.00 -0.16 0.00 0.00 -1.51 0.00 0.00 72.50 70.83 2k8r s THR 116 CO 0.00 0.17 0.00 1.41 -2.21 0.00 0.00 174.62 173.99 2k8r n HIS 117 N 5.05 0.00 -2.50 9.09 -0.00 -1.26 -4.84 115.22 120.76 2k8r n HIS 117 Ca -0.09 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.23 2k8r n HIS 117 Cb 0.50 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.45 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 3.61 0.00 4.41 2.02 -1.26 -4.81 117.35 121.32 2k8r s TYR 118 Ca 0.00 1.70 0.00 0.00 -0.37 0.00 0.00 57.07 58.40 2k8r s TYR 118 Cb 0.00 -3.26 0.00 0.00 -0.40 0.00 0.00 41.96 38.30 2k8r s TYR 118 CO 0.00 -0.48 0.00 0.41 -1.57 0.00 0.00 175.55 173.91 2k8r n GLY 119 N 1.30 -0.55 0.49 0.71 0.00 -1.26 -4.63 105.19 101.25 2k8r n GLY 119 Ca -0.01 -1.10 0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.10 1.61 4.20 -1.92 0.79 115.11 119.69 2k8r h GLN 120 Ca 0.00 0.00 0.03 0.00 0.06 0.00 0.00 58.65 58.74 2k8r h GLN 120 Cb 0.00 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.78 2k8r h GLN 120 CO 0.00 0.00 0.38 1.57 -0.67 0.00 0.00 178.83 180.11 2k8r h LYS 121 N 0.00 0.00 0.00 1.46 5.09 -1.86 0.43 116.57 121.69 2k8r h LYS 121 Ca 0.46 0.00 -0.03 0.00 0.09 0.00 0.00 60.65 61.17 2k8r h LYS 121 Cb 1.96 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.29 2k8r h LYS 121 CO -0.00 0.00 -0.93 0.00 -2.09 0.00 0.00 179.45 176.42 2k8r h ALA 122 N 1.34 0.59 -0.90 0.07 0.00 -1.08 -3.40 119.26 115.89 2k8r h ALA 122 Ca 0.05 -0.16 -0.34 0.00 0.00 0.00 0.00 54.91 54.45 2k8r h ALA 122 Cb 0.80 0.05 -0.34 0.00 0.00 0.00 0.00 17.79 18.29 2k8r h ALA 122 CO -0.00 0.18 -1.02 -0.89 0.00 0.00 0.00 179.25 177.53 2k8r n ILE 123 N -2.79 0.64 -2.81 0.00 -0.00 0.13 -4.64 119.36 109.89 2k8r n ILE 123 Ca -0.01 -2.89 -0.10 0.00 -0.00 0.00 0.00 62.75 59.74 2k8r n ILE 123 Cb 0.61 0.65 0.06 0.00 -0.00 0.00 0.00 39.64 40.95 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 -0.11 -2.00 -4.70 1.39 7.94 0.25 -4.84 117.00 114.92 2k8r n LEU 124 Ca 0.09 -3.81 -0.35 0.00 -1.11 0.00 0.00 56.01 50.82 2k8r n LEU 124 Cb 0.80 0.88 -0.09 0.00 0.53 0.00 0.00 43.42 45.54 2k8r n LEU 124 CO 0.19 2.08 -0.24 -0.36 -1.11 0.00 0.00 177.39 177.96 2k8r s PHE 125 N -0.00 3.33 -0.47 1.96 0.08 -1.23 -2.71 117.98 118.93 2k8r s PHE 125 Ca 0.27 0.22 0.03 0.00 0.12 0.00 0.00 56.93 57.57 2k8r s PHE 125 Cb 0.28 -2.01 0.13 0.00 -0.57 0.00 0.00 43.02 40.85 2k8r s PHE 125 CO -0.10 0.35 0.22 -1.17 -0.10 0.00 0.00 175.22 174.41 2k8r s LEU 126 N -0.15 4.00 0.46 -0.37 2.96 0.43 -1.64 118.68 124.37 2k8r s LEU 126 Ca 0.08 -2.77 0.06 0.00 -0.22 0.00 0.00 54.13 51.28 2k8r s LEU 126 Cb -0.12 -1.50 0.02 0.00 0.50 0.00 0.00 46.19 45.09 2k8r s LEU 126 CO 0.01 -0.27 0.63 -2.16 -1.32 0.00 0.00 176.35 173.24 2k8r s PRO 127 N 0.07 2.75 0.29 0.98 0.04 -1.26 -1.14 135.00 136.74 2k8r s PRO 127 Ca 0.16 -1.10 -0.29 0.00 0.04 0.00 0.00 61.00 59.81 2k8r s PRO 127 Cb -0.24 -2.68 -0.10 0.00 0.04 0.00 0.00 34.50 31.51 2k8r s PRO 127 CO -0.02 -0.40 1.40 -1.17 0.04 0.00 0.00 177.00 176.85 2k8r s LEU 128 N -4.47 4.39 0.40 -3.56 2.96 -0.95 -4.89 118.68 112.56 2k8r s LEU 128 Ca 0.56 2.73 0.21 0.00 -0.22 0.00 0.00 54.13 57.40 2k8r s LEU 128 Cb -0.10 -3.64 1.18 0.00 0.50 0.00 0.00 46.19 44.13 2k8r s LEU 128 CO 0.35 -0.67 1.72 -0.65 -1.32 0.00 0.00 176.35 175.78 2k8r h PRO 129 N 4.20 0.31 -6.04 0.98 0.11 -1.97 -3.42 132.00 126.16 2k8r h PRO 129 Ca -0.48 -0.02 -0.82 0.00 0.11 0.00 0.00 66.00 64.79 2k8r h PRO 129 Cb 1.22 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k8r h PRO 129 CO 0.72 0.20 0.85 1.33 -0.21 0.00 0.00 178.00 180.89 2k8r n VAL 130 N -4.69 0.09 -3.63 3.15 0.24 -1.26 -4.90 118.33 107.32 2k8r n VAL 130 Ca 0.29 -0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.47 2k8r n VAL 130 Cb 1.02 -0.73 -0.02 0.00 -1.47 0.00 0.00 33.84 32.64 2k8r n VAL 130 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2k8r s SER 131 N 3.65 -0.41 -1.28 -1.34 1.04 -1.26 -4.91 113.70 109.19 2k8r s SER 131 Ca 1.05 -0.30 -0.08 0.00 0.48 0.00 0.00 55.95 57.10 2k8r s SER 131 Cb -1.37 0.65 0.16 0.00 0.10 0.00 0.00 66.02 65.56 2k8r s SER 131 CO 0.75 -1.13 2.00 -1.20 0.98 0.00 0.00 173.24 174.64 2k8r n SER 132 N -0.40 5.91 0.00 7.02 7.64 -1.26 -4.91 113.62 127.62 2k8r n SER 132 Ca -0.11 -3.13 0.00 0.00 1.01 0.00 0.00 58.87 56.64 2k8r n SER 132 Cb 0.62 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 2k8r n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36