#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 4.13 0.09 -3.48 0.00 -1.26 -4.34 119.74 114.88 2k8r s LYS 2 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 55.97 55.75 2k8r s LYS 2 Cb 0.00 -3.50 0.00 0.00 0.00 0.00 0.00 37.83 34.33 2k8r s LYS 2 CO 0.00 0.10 0.21 0.15 0.00 0.00 0.00 175.35 175.81 2k8r s LYS 3 N 0.91 0.85 -0.53 1.78 1.02 -1.26 -5.05 119.74 117.47 2k8r s LYS 3 Ca 0.11 -0.93 -0.29 0.00 0.02 0.00 0.00 55.97 54.88 2k8r s LYS 3 Cb -0.13 0.35 -0.11 0.00 -0.52 0.00 0.00 37.83 37.42 2k8r s LYS 3 CO 0.04 -0.28 2.41 -2.30 -0.92 0.00 0.00 175.35 174.30 2k8r n PRO 4 N -0.04 0.93 -4.09 -1.68 -0.02 -1.26 -4.46 135.00 124.38 2k8r n PRO 4 Ca -0.15 0.12 -0.26 0.00 -2.02 0.00 0.00 63.50 61.19 2k8r n PRO 4 Cb 0.62 -2.82 -0.05 0.00 -0.02 0.00 0.00 33.50 31.23 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 7.78 2.88 -0.02 -0.52 2.20 0.35 -4.79 119.74 127.62 2k8r s LYS 5 Ca 1.09 -0.91 0.03 0.00 -0.36 0.00 0.00 55.97 55.82 2k8r s LYS 5 Cb -0.56 -2.62 -0.00 0.00 -1.51 0.00 0.00 37.83 33.14 2k8r s LYS 5 CO 0.37 0.47 -0.12 -0.48 -0.36 0.00 0.00 175.35 175.23 2k8r s LEU 6 N -3.19 1.89 -1.17 5.43 2.34 -1.26 -3.84 118.68 118.88 2k8r s LEU 6 Ca 0.31 -0.24 -0.11 0.00 0.06 0.00 0.00 54.13 54.15 2k8r s LEU 6 Cb -0.10 -0.69 0.23 0.00 -0.56 0.00 0.00 46.19 45.07 2k8r s LEU 6 CO 0.23 0.12 1.32 -0.11 -1.06 0.00 0.00 176.35 176.85 2k8r n LEU 7 N 3.08 5.48 -4.73 1.48 7.94 -1.26 -2.55 117.00 126.44 2k8r n LEU 7 Ca -0.17 -4.76 -0.41 0.00 -1.11 0.00 0.00 56.01 49.56 2k8r n LEU 7 Cb 0.54 -1.54 -0.04 0.00 0.53 0.00 0.00 43.42 42.92 2k8r n LEU 7 CO 0.25 1.08 0.71 -0.47 -1.11 0.00 0.00 177.39 177.84 2k8r s TYR 8 N 0.05 3.72 -0.16 1.96 5.04 -0.28 -4.43 117.35 123.23 2k8r s TYR 8 Ca 0.37 1.71 0.02 0.00 -2.44 0.00 0.00 57.07 56.72 2k8r s TYR 8 Cb -0.05 -3.14 0.02 0.00 0.35 0.00 0.00 41.96 39.14 2k8r s TYR 8 CO -0.03 -0.11 -0.21 0.00 -1.34 0.00 0.00 175.55 173.86 2k8r n SER 10 N 4.37 3.25 -2.35 0.00 3.41 -1.26 -4.44 113.62 116.62 2k8r n SER 10 Ca -0.20 -2.76 -0.01 0.00 -0.26 0.00 0.00 58.87 55.64 2k8r n SER 10 Cb 0.51 -1.42 0.05 0.00 -0.26 0.00 0.00 64.21 63.08 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2k8r n ASN 11 N 7.91 1.72 -1.36 4.04 4.05 -1.26 -4.84 115.26 125.53 2k8r n ASN 11 Ca 0.50 -2.23 0.00 0.00 0.45 0.00 0.00 54.58 53.29 2k8r n ASN 11 Cb 0.41 -0.42 0.00 0.00 1.23 0.00 0.00 39.78 41.00 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 -0.35 -2.69 0.00 8.20 0.00 -1.26 -4.82 105.19 104.27 2k8r n GLY 12 Ca 0.10 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.69 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 0.09 -0.55 3.27 -0.02 0.00 -1.26 -4.91 105.19 101.80 2k8r n GLY 13 Ca 0.00 -2.03 -0.26 0.00 0.00 0.00 0.00 46.02 43.73 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 1.87 -0.04 1.61 3.76 -1.26 -4.93 115.29 116.30 2k8r s HIS 14 Ca 0.00 -0.39 0.01 0.00 -0.15 0.00 0.00 55.06 54.53 2k8r s HIS 14 Cb 0.00 -1.09 0.02 0.00 1.11 0.00 0.00 32.58 32.62 2k8r s HIS 14 CO 0.00 0.13 -0.03 -0.06 -0.85 0.00 0.00 174.74 173.93 2k8r s PHE 15 N -0.89 0.65 0.00 1.40 0.40 -0.98 0.12 117.98 118.69 2k8r s PHE 15 Ca 0.08 -0.16 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 2k8r s PHE 15 Cb -0.09 -0.63 0.00 0.00 0.51 0.00 0.00 43.02 42.81 2k8r s PHE 15 CO 0.02 -0.20 0.00 1.47 0.70 0.00 0.00 175.22 177.22 2k8r n LEU 16 N 4.20 0.00 -4.26 -0.37 -0.00 -1.15 -3.90 117.00 111.52 2k8r n LEU 16 Ca -0.23 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.46 2k8r n LEU 16 Cb 0.51 0.00 -0.17 0.00 -0.00 0.00 0.00 43.42 43.76 2k8r n LEU 16 CO 0.22 0.00 -0.55 -0.60 -0.00 0.00 0.00 177.39 176.45 2k8r s ARG 17 N 0.00 2.82 -0.05 1.47 3.52 -0.90 -3.21 118.95 122.60 2k8r s ARG 17 Ca 0.00 -0.88 0.02 0.00 -0.13 0.00 0.00 55.73 54.75 2k8r s ARG 17 Cb 0.00 -2.26 0.01 0.00 -1.56 0.00 0.00 34.95 31.14 2k8r s ARG 17 CO 0.00 0.29 -0.11 -1.50 -0.81 0.00 0.00 175.30 173.17 2k8r s ILE 18 N 0.08 0.99 -0.12 4.11 1.10 -1.26 0.31 121.20 126.41 2k8r s ILE 18 Ca -0.11 -0.42 -0.05 0.00 -0.51 0.00 0.00 60.65 59.56 2k8r s ILE 18 Cb -0.16 -0.91 -0.04 0.00 0.15 0.00 0.00 42.46 41.51 2k8r s ILE 18 CO 0.06 0.32 0.08 -0.76 -2.11 0.00 0.00 174.94 172.53 2k8r s LEU 19 N 0.57 4.02 0.41 8.50 2.01 0.28 -4.75 118.68 129.72 2k8r s LEU 19 Ca -0.11 0.29 0.21 0.00 0.01 0.00 0.00 54.13 54.53 2k8r s LEU 19 Cb -0.14 -1.97 1.18 0.00 0.01 0.00 0.00 46.19 45.27 2k8r s LEU 19 CO 0.02 0.36 1.74 1.55 1.01 0.00 0.00 176.35 181.03 2k8r h PRO 20 N 5.36 0.31 -0.74 1.29 0.13 -1.87 0.43 132.00 136.91 2k8r h PRO 20 Ca -0.50 -0.02 0.21 0.00 -0.87 0.00 0.00 66.00 64.82 2k8r h PRO 20 Cb 1.20 -0.07 -0.03 0.00 0.13 0.00 0.00 31.00 32.23 2k8r h PRO 20 CO 0.59 0.21 0.65 -0.44 -0.23 0.00 0.00 178.00 178.78 2k8r h ASP 21 N 0.32 0.00 0.00 1.44 5.19 -1.94 -3.38 116.42 118.05 2k8r h ASP 21 Ca 0.64 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.05 2k8r h ASP 21 Cb 1.73 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.24 2k8r h ASP 21 CO -0.31 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.42 2k8r n GLY 22 N -1.62 0.72 3.33 2.75 0.00 0.15 -4.91 105.19 105.61 2k8r n GLY 22 Ca 0.15 -0.20 -0.13 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.63 -0.00 -0.04 2.61 2.01 -1.01 -4.47 115.64 114.11 2k8r s THR 23 Ca 0.00 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2k8r s THR 23 Cb 0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.86 2k8r s THR 23 CO 0.00 0.01 -0.18 0.54 -0.69 0.00 0.00 174.62 174.30 2k8r s VAL 24 N 0.50 2.74 0.00 3.82 0.11 -1.26 0.98 120.40 127.29 2k8r s VAL 24 Ca -0.02 -0.85 0.00 0.00 -2.93 0.00 0.00 61.98 58.18 2k8r s VAL 24 Cb -0.04 -2.04 0.00 0.00 -1.53 0.00 0.00 36.38 32.77 2k8r s VAL 24 CO -0.02 0.59 0.00 -0.90 -3.33 0.00 0.00 175.10 171.43 2k8r n ASP 25 N 2.36 0.00 -4.76 3.54 5.75 0.15 -4.69 116.55 118.90 2k8r n ASP 25 Ca -0.17 -0.87 -0.34 0.00 -0.01 0.00 0.00 54.79 53.40 2k8r n ASP 25 Cb 0.52 0.00 0.04 0.00 -1.03 0.00 0.00 41.12 40.64 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 -0.87 2.39 0.00 6.12 0.00 -1.26 -2.11 107.32 111.59 2k8r s GLY 26 Ca 0.00 0.72 0.00 0.00 0.00 0.00 0.00 44.72 45.44 2k8r s GLY 26 CO 0.00 1.08 0.00 2.41 0.00 0.00 0.00 173.10 176.59 2k8r n THR 27 N -1.99 0.00 -4.73 0.90 -1.04 0.33 -4.57 114.28 103.17 2k8r n THR 27 Ca 0.11 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.79 2k8r n THR 27 Cb 0.51 0.00 -0.15 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 3.28 0.32 -2.82 1.70 -1.26 -2.33 118.95 115.85 2k8r s ARG 28 Ca 0.00 -0.73 -0.04 0.00 -0.47 0.00 0.00 55.73 54.49 2k8r s ARG 28 Cb 0.00 -2.60 -0.00 0.00 -0.57 0.00 0.00 34.95 31.78 2k8r s ARG 28 CO 0.00 0.13 0.46 0.34 -1.08 0.00 0.00 175.30 175.15 2k8r s ASP 29 N 0.54 0.71 -1.24 -2.89 -1.08 -1.26 -5.07 116.67 106.38 2k8r s ASP 29 Ca -0.10 -1.40 -0.11 0.00 -0.52 0.00 0.00 52.55 50.43 2k8r s ASP 29 Cb -0.16 0.64 0.17 0.00 -1.46 0.00 0.00 42.92 42.11 2k8r s ASP 29 CO 0.04 -1.25 1.67 -1.14 0.52 0.00 0.00 175.17 175.01 2k8r n ARG 30 N -0.52 3.54 -3.68 4.34 3.00 -1.26 -4.51 116.66 117.57 2k8r n ARG 30 Ca 0.01 -3.71 -0.22 0.00 -0.00 0.00 0.00 57.85 53.93 2k8r n ARG 30 Cb 0.62 -2.96 0.04 0.00 0.00 0.00 0.00 32.46 30.16 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 4.53 -2.17 -1.18 6.15 7.64 -1.26 -4.98 113.62 122.36 2k8r n SER 31 Ca 0.38 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.49 2k8r n SER 31 Cb 0.39 -4.26 0.00 0.00 -1.01 0.00 0.00 64.21 59.33 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 -3.03 0.42 0.00 6.43 -0.08 -1.26 -4.37 116.55 114.65 2k8r n ASP 32 Ca -0.23 -0.98 0.00 0.00 -1.51 0.00 0.00 54.79 52.07 2k8r n ASP 32 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 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 -0.46 -0.67 7.27 -1.26 -4.66 117.38 117.61 2k8r n GLN 33 Ca 0.00 0.00 0.38 0.00 0.07 0.00 0.00 57.00 57.45 2k8r n GLN 33 Cb 0.00 0.00 0.68 0.00 2.41 0.00 0.00 30.24 33.33 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 0.34 0.00 3.69 6.17 -1.84 -3.36 115.15 120.15 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 -0.09 0.00 0.00 2.52 0.00 0.00 27.41 29.84 2k8r h HIS 34 CO 0.00 -0.09 0.00 -0.89 0.71 0.00 0.00 177.93 177.66 2k8r n ILE 35 N -4.43 0.00 0.00 6.26 5.41 -1.26 -5.02 119.36 120.32 2k8r n ILE 35 Ca 0.35 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.10 2k8r n ILE 35 Cb 1.43 -0.01 0.00 0.00 -0.71 0.00 0.00 39.64 40.35 2k8r n ILE 35 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 176.55 178.22 2k8r n GLN 36 N -1.57 0.00 -3.73 0.38 7.27 -1.26 -4.87 117.38 113.60 2k8r n GLN 36 Ca 0.00 0.00 -0.36 0.00 0.07 0.00 0.00 57.00 56.71 2k8r n GLN 36 Cb 0.00 0.00 -0.11 0.00 2.41 0.00 0.00 30.24 32.54 2k8r n GLN 36 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 2k8r s LEU 37 N 0.00 3.88 -0.00 1.69 0.20 -1.25 0.19 118.68 123.38 2k8r s LEU 37 Ca 0.00 0.00 0.08 0.00 0.69 0.00 0.00 54.13 54.90 2k8r s LEU 37 Cb 0.00 -2.04 -0.02 0.00 -0.43 0.00 0.00 46.19 43.70 2k8r s LEU 37 CO 0.00 0.03 -0.25 -1.10 -0.29 0.00 0.00 176.35 174.74 2k8r s GLN 38 N 1.23 1.95 -0.19 1.98 -0.21 0.35 0.13 119.66 124.90 2k8r s GLN 38 Ca 0.06 -0.94 -0.05 0.00 0.02 0.00 0.00 55.36 54.46 2k8r s GLN 38 Cb -0.14 -1.94 0.07 0.00 1.00 0.00 0.00 33.01 32.00 2k8r s GLN 38 CO 0.05 0.53 0.13 -1.17 -2.12 0.00 0.00 175.29 172.70 2k8r s LEU 39 N -0.74 0.24 0.00 2.90 0.20 -1.26 0.18 118.68 120.21 2k8r s LEU 39 Ca 0.10 -0.58 0.00 0.00 0.69 0.00 0.00 54.13 54.34 2k8r s LEU 39 Cb -0.10 -0.09 0.00 0.00 -0.43 0.00 0.00 46.19 45.57 2k8r s LEU 39 CO -0.00 -0.35 0.00 -1.20 -0.29 0.00 0.00 176.35 174.50 2k8r n SER 40 N 5.29 0.00 -0.12 3.68 7.64 -0.93 -4.17 113.62 125.00 2k8r n SER 40 Ca -0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.82 2k8r n SER 40 Cb 0.48 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 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 0.00 -2.13 -0.43 0.00 -1.26 -3.88 120.51 112.81 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 -0.47 -0.10 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.03 0.77 0.61 0.00 0.41 -1.26 -4.86 118.70 110.33 2k8r s GLU 42 Ca 0.00 -1.32 -0.15 0.00 -0.41 0.00 0.00 54.97 53.09 2k8r s GLU 42 Cb 0.00 0.11 -0.03 0.00 -1.78 0.00 0.00 34.13 32.43 2k8r s GLU 42 CO 0.00 -0.14 1.05 -1.54 -0.49 0.00 0.00 175.26 174.14 2k8r s SER 43 N -3.00 5.78 -0.49 -0.19 1.04 -1.26 -4.81 113.70 110.78 2k8r s SER 43 Ca 0.14 1.76 -0.39 0.00 0.48 0.00 0.00 55.95 57.94 2k8r s SER 43 Cb 0.07 -2.52 -0.17 0.00 0.10 0.00 0.00 66.02 63.50 2k8r s SER 43 CO -0.05 -1.17 1.97 0.55 0.98 0.00 0.00 173.24 175.52 2k8r n VAL 44 N -2.19 0.00 0.00 5.02 3.14 -1.26 0.42 118.33 123.45 2k8r n VAL 44 Ca 0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.46 2k8r n VAL 44 Cb 0.53 -0.45 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 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 6.67 3.24 3.78 7.55 0.00 -1.26 -5.07 105.19 120.11 2k8r n GLY 45 Ca 0.50 -0.98 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 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 4.46 -0.05 1.61 2.02 0.17 -2.79 118.70 124.13 2k8r s GLU 46 Ca 0.00 1.38 -0.02 0.00 0.02 0.00 0.00 54.97 56.35 2k8r s GLU 46 Cb 0.00 -2.71 0.04 0.00 0.10 0.00 0.00 34.13 31.56 2k8r s GLU 46 CO 0.00 0.16 0.10 0.14 0.02 0.00 0.00 175.26 175.68 2k8r s VAL 47 N -1.65 -0.06 -0.33 2.63 -7.23 0.27 -4.24 120.40 109.79 2k8r s VAL 47 Ca 0.53 0.21 -0.12 0.00 -1.81 0.00 0.00 61.98 60.78 2k8r s VAL 47 Cb -0.19 -0.18 -0.01 0.00 0.56 0.00 0.00 36.38 36.55 2k8r s VAL 47 CO 0.25 0.09 0.22 -0.47 -0.31 0.00 0.00 175.10 174.87 2k8r s TYR 48 N 1.20 3.22 -0.28 2.82 5.04 -1.25 -2.22 117.35 125.88 2k8r s TYR 48 Ca -0.08 -0.32 -0.20 0.00 -2.44 0.00 0.00 57.07 54.03 2k8r s TYR 48 Cb -0.12 -2.45 -0.02 0.00 0.35 0.00 0.00 41.96 39.73 2k8r s TYR 48 CO -0.05 -0.39 0.60 0.42 -1.34 0.00 0.00 175.55 174.79 2k8r s ILE 49 N 1.69 4.99 -0.33 3.14 1.01 -1.26 -2.20 121.20 128.25 2k8r s ILE 49 Ca 0.06 0.95 0.00 0.00 0.00 0.00 0.00 60.65 61.66 2k8r s ILE 49 Cb -0.17 -3.93 0.08 0.00 0.01 0.00 0.00 42.46 38.45 2k8r s ILE 49 CO 0.09 -0.02 0.03 -0.75 0.00 0.00 0.00 174.94 174.30 2k8r s LYS 50 N 2.49 2.05 -0.40 2.79 2.47 0.48 -4.17 119.74 125.45 2k8r s LYS 50 Ca 0.24 -1.56 -0.18 0.00 -1.56 0.00 0.00 55.97 52.92 2k8r s LYS 50 Cb -0.15 -3.21 0.01 0.00 -1.46 0.00 0.00 37.83 33.01 2k8r s LYS 50 CO 0.10 -0.79 0.48 -1.12 0.16 0.00 0.00 175.35 174.17 2k8r s SER 51 N 1.26 6.24 0.00 1.43 0.01 -1.26 0.13 113.70 121.50 2k8r s SER 51 Ca 0.01 -0.41 0.00 0.00 1.31 0.00 0.00 55.95 56.86 2k8r s SER 51 Cb -0.20 -2.24 0.00 0.00 0.21 0.00 0.00 66.02 63.78 2k8r s SER 51 CO -0.04 -0.55 0.00 0.41 0.41 0.00 0.00 173.24 173.46 2k8r n THR 52 N 5.47 -1.85 -0.28 1.44 -1.04 0.51 -3.98 114.28 114.56 2k8r n THR 52 Ca -0.06 0.00 0.08 0.00 -2.04 0.00 0.00 64.05 62.03 2k8r n THR 52 Cb 0.48 -2.51 0.17 0.00 -1.82 0.00 0.00 70.33 66.65 2k8r n THR 52 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2k8r n GLU 53 N 0.23 -0.07 -3.70 -2.82 4.07 -1.24 -4.29 120.64 112.82 2k8r n GLU 53 Ca 0.00 1.19 -0.11 0.00 -0.06 0.00 0.00 57.16 58.18 2k8r n GLU 53 Cb 0.00 -1.84 -0.10 0.00 -0.06 0.00 0.00 31.44 29.44 2k8r n GLU 53 CO 0.00 0.00 0.00 0.95 -0.06 0.00 0.00 177.13 178.02 2k8r s THR 54 N -5.84 -0.02 0.00 6.31 -4.23 -1.26 -4.93 115.64 105.67 2k8r s THR 54 Ca -0.11 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.47 2k8r s THR 54 Cb 0.22 -0.61 0.00 0.00 1.34 0.00 0.00 72.50 73.45 2k8r s THR 54 CO 0.61 0.03 0.00 0.61 -0.54 0.00 0.00 174.62 175.33 2k8r n GLY 55 N 3.85 1.88 3.18 3.99 0.00 -1.26 -5.10 105.19 111.73 2k8r n GLY 55 Ca -0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.70 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 0.86 -0.16 1.61 -1.52 -1.26 -4.43 119.66 114.77 2k8r s GLN 56 Ca 0.00 -1.33 -0.05 0.00 -1.95 0.00 0.00 55.36 52.04 2k8r s GLN 56 Cb 0.00 -0.29 0.08 0.00 -0.22 0.00 0.00 33.01 32.58 2k8r s GLN 56 CO 0.00 0.00 0.30 -0.47 -0.25 0.00 0.00 175.29 174.88 2k8r s TYR 57 N -3.44 -0.52 -0.16 0.91 6.14 -1.19 -4.57 117.35 114.51 2k8r s TYR 57 Ca 0.12 1.02 -0.27 0.00 0.64 0.00 0.00 57.07 58.58 2k8r s TYR 57 Cb 0.04 0.01 -0.01 0.00 0.42 0.00 0.00 41.96 42.42 2k8r s TYR 57 CO -0.03 -0.43 0.89 -1.17 0.64 0.00 0.00 175.55 175.44 2k8r s LEU 58 N 2.46 4.18 0.01 6.97 1.98 -1.26 -0.53 118.68 132.50 2k8r s LEU 58 Ca 0.02 1.28 -0.04 0.00 -2.89 0.00 0.00 54.13 52.50 2k8r s LEU 58 Cb -0.13 -3.34 -0.01 0.00 0.66 0.00 0.00 46.19 43.38 2k8r s LEU 58 CO -0.10 -0.44 0.06 0.00 -1.89 0.00 0.00 176.35 173.98 2k8r s ALA 59 N 2.21 -0.10 0.14 5.97 0.00 0.33 -4.61 121.76 125.71 2k8r s ALA 59 Ca 0.41 -0.39 -0.24 0.00 0.00 0.00 0.00 51.96 51.75 2k8r s ALA 59 Cb -0.17 0.15 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 2k8r s ALA 59 CO 0.13 -0.21 0.72 0.00 0.00 0.00 0.00 175.76 176.40 2k8r s MET 60 N -1.62 4.47 0.17 0.00 0.23 -1.19 0.07 119.30 121.43 2k8r s MET 60 Ca -0.14 1.04 -0.29 0.00 -1.03 0.00 0.00 55.69 55.28 2k8r s MET 60 Cb -0.07 -3.25 -0.07 0.00 -1.53 0.00 0.00 34.83 29.90 2k8r s MET 60 CO -0.00 0.59 0.91 0.34 -2.03 0.00 0.00 175.02 174.83 2k8r s ASP 61 N -1.14 7.53 0.27 -1.18 2.15 0.29 -4.88 116.67 119.71 2k8r s ASP 61 Ca 0.34 1.81 -0.00 0.00 0.43 0.00 0.00 52.55 55.13 2k8r s ASP 61 Cb -0.22 -2.58 0.51 0.00 -0.30 0.00 0.00 42.92 40.33 2k8r s ASP 61 CO 0.24 0.07 1.84 0.00 -0.17 0.00 0.00 175.17 177.15 2k8r h THR 62 N 3.58 0.94 0.00 1.71 1.03 -1.97 -3.30 112.91 114.90 2k8r h THR 62 Ca -0.44 -0.34 0.00 0.00 -0.01 0.00 0.00 66.41 65.62 2k8r h THR 62 Cb 1.21 -0.14 0.00 0.00 -1.07 0.00 0.00 68.15 68.15 2k8r h THR 62 CO 0.69 0.18 0.00 -0.67 -0.01 0.00 0.00 175.52 175.71 2k8r n ASP 63 N -4.62 0.00 -1.29 0.00 2.03 -1.26 -4.91 116.55 106.50 2k8r n ASP 63 Ca 0.18 0.43 -0.03 0.00 0.52 0.00 0.00 54.79 55.89 2k8r n ASP 63 Cb 0.32 -0.16 0.00 0.00 -0.72 0.00 0.00 41.12 40.56 2k8r n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2k8r n GLY 64 N 0.73 0.30 1.08 0.27 0.00 -1.24 -4.55 105.19 101.78 2k8r n GLY 64 Ca 0.00 -0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.90 2k8r n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k8r n LEU 65 N -0.32 0.00 -3.78 0.99 7.99 -1.25 -0.29 117.00 120.33 2k8r n LEU 65 Ca -0.14 -1.01 -0.13 0.00 -0.01 0.00 0.00 56.01 54.72 2k8r n LEU 65 Cb 0.58 0.35 -0.12 0.00 -0.11 0.00 0.00 43.42 44.13 2k8r n LEU 65 CO -0.08 -0.16 -0.08 -0.76 -1.51 0.00 0.00 177.39 174.80 2k8r s LEU 66 N 0.00 0.98 0.07 2.23 1.02 -1.26 0.10 118.68 121.82 2k8r s LEU 66 Ca 0.07 0.52 -0.00 0.00 0.02 0.00 0.00 54.13 54.74 2k8r s LEU 66 Cb 0.00 0.89 -0.04 0.00 0.02 0.00 0.00 46.19 47.06 2k8r s LEU 66 CO 0.05 -0.09 -0.03 -0.72 0.02 0.00 0.00 176.35 175.58 2k8r s TYR 67 N 0.19 0.67 -0.52 0.29 1.13 0.11 -4.57 117.35 114.65 2k8r s TYR 67 Ca -0.00 -1.05 0.06 0.00 -1.41 0.00 0.00 57.07 54.67 2k8r s TYR 67 Cb -0.02 -0.44 0.37 0.00 -1.10 0.00 0.00 41.96 40.77 2k8r s TYR 67 CO -0.00 -0.33 1.00 0.41 -2.51 0.00 0.00 175.55 174.11 2k8r n GLY 68 N 0.04 5.58 3.86 5.49 0.00 -1.25 0.12 105.19 119.04 2k8r n GLY 68 Ca -0.12 -2.71 -0.30 0.00 0.00 0.00 0.00 46.02 42.89 2k8r n GLY 68 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k8r s SER 69 N -3.45 5.99 -0.89 1.61 0.01 0.31 -3.20 113.70 114.07 2k8r s SER 69 Ca 0.48 0.13 -0.26 0.00 1.31 0.00 0.00 55.95 57.61 2k8r s SER 69 Cb 0.33 -1.74 -0.15 0.00 0.21 0.00 0.00 66.02 64.67 2k8r s SER 69 CO -0.15 0.16 2.26 -1.58 0.41 0.00 0.00 173.24 174.34 2k8r s GLN 70 N -2.54 1.65 -0.29 12.44 -0.44 -1.26 -3.20 119.66 126.02 2k8r s GLN 70 Ca 0.32 0.09 0.05 0.00 -2.50 0.00 0.00 55.36 53.33 2k8r s GLN 70 Cb -0.12 -4.89 0.19 0.00 -1.64 0.00 0.00 33.01 26.55 2k8r s GLN 70 CO 0.25 -4.56 0.55 0.99 0.50 0.00 0.00 175.29 173.03 2k8r s THR 71 N 14.59 -0.92 0.14 -0.34 2.01 -1.26 -4.97 115.64 124.88 2k8r s THR 71 Ca 0.86 -0.06 -0.30 0.00 0.31 0.00 0.00 61.69 62.49 2k8r s THR 71 Cb -0.10 -0.98 -0.07 0.00 0.01 0.00 0.00 72.50 71.36 2k8r s THR 71 CO 0.09 -0.06 1.25 -2.16 -0.69 0.00 0.00 174.62 173.05 2k8r s PRO 72 N 2.75 4.43 -0.07 4.92 0.04 -1.26 -4.91 135.00 140.89 2k8r s PRO 72 Ca 0.10 1.91 -0.31 0.00 0.04 0.00 0.00 61.00 62.74 2k8r s PRO 72 Cb -0.10 -3.26 0.12 0.00 0.04 0.00 0.00 34.50 31.29 2k8r s PRO 72 CO -0.26 -0.23 1.01 1.21 0.04 0.00 0.00 177.00 178.77 2k8r s ASN 73 N 0.61 -0.27 0.55 6.66 3.84 -1.26 -5.02 114.94 120.04 2k8r s ASN 73 Ca 0.57 -0.01 0.25 0.00 0.21 0.00 0.00 52.86 53.89 2k8r s ASN 73 Cb -0.33 0.29 1.45 0.00 -0.55 0.00 0.00 41.25 42.11 2k8r s ASN 73 CO 0.34 -0.48 2.04 -0.33 -2.79 0.00 0.00 177.10 175.88 2k8r h GLU 74 N 2.00 0.00 0.00 0.43 5.08 -2.01 -1.12 114.58 118.96 2k8r h GLU 74 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 2k8r h GLU 74 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k8r h GLU 74 CO 0.28 0.00 0.33 0.93 -1.00 0.00 0.00 179.01 179.54 2k8r h GLU 75 N 0.00 0.00 0.00 2.33 4.39 -1.95 0.56 114.58 119.91 2k8r h GLU 75 Ca 0.17 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.87 2k8r h GLU 75 Cb 0.75 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.40 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 -2.86 3.25 0.33 0.00 2.01 0.19 -4.25 118.68 117.36 2k8r s LEU 77 Ca 0.18 -0.25 0.07 0.00 0.01 0.00 0.00 54.13 54.14 2k8r s LEU 77 Cb 0.18 -2.55 -0.03 0.00 0.01 0.00 0.00 46.19 43.81 2k8r s LEU 77 CO 0.48 -2.20 0.29 -0.36 1.01 0.00 0.00 176.35 175.58 2k8r s PHE 78 N 7.88 2.93 -0.20 0.29 0.08 -0.94 -1.12 117.98 126.90 2k8r s PHE 78 Ca 0.56 -0.29 0.01 0.00 0.12 0.00 0.00 56.93 57.34 2k8r s PHE 78 Cb -0.09 -1.78 0.04 0.00 -0.57 0.00 0.00 43.02 40.62 2k8r s PHE 78 CO 0.12 0.20 -0.15 -1.17 -0.10 0.00 0.00 175.22 174.12 2k8r s LEU 79 N -3.99 2.44 -0.16 -0.37 1.98 0.19 -0.56 118.68 118.21 2k8r s LEU 79 Ca 0.41 -0.88 -0.14 0.00 -2.89 0.00 0.00 54.13 50.63 2k8r s LEU 79 Cb -0.06 -1.40 -0.05 0.00 0.66 0.00 0.00 46.19 45.35 2k8r s LEU 79 CO 0.27 -0.09 0.28 -0.70 -1.89 0.00 0.00 176.35 174.21 2k8r s GLU 80 N 1.29 4.25 -0.54 1.98 2.12 -1.12 -1.37 118.70 125.32 2k8r s GLU 80 Ca -0.00 0.07 0.04 0.00 0.36 0.00 0.00 54.97 55.44 2k8r s GLU 80 Cb -0.16 -3.43 0.15 0.00 0.26 0.00 0.00 34.13 30.96 2k8r s GLU 80 CO -0.10 0.24 0.33 0.50 -0.54 0.00 0.00 175.26 175.70 2k8r s ARG 81 N 0.46 1.76 -0.33 4.30 3.52 0.27 -4.78 118.95 124.15 2k8r s ARG 81 Ca 0.16 -2.57 -0.28 0.00 -0.13 0.00 0.00 55.73 52.91 2k8r s ARG 81 Cb -0.13 -2.78 0.02 0.00 -1.56 0.00 0.00 34.95 30.50 2k8r s ARG 81 CO 0.03 -1.22 1.02 -1.17 -0.81 0.00 0.00 175.30 173.16 2k8r s LEU 82 N -0.38 3.95 0.00 -0.88 2.96 -1.26 0.18 118.68 123.24 2k8r s LEU 82 Ca 0.22 0.92 0.21 0.00 -0.22 0.00 0.00 54.13 55.25 2k8r s LEU 82 Cb -0.15 -3.45 0.61 0.00 0.50 0.00 0.00 46.19 43.71 2k8r s LEU 82 CO -0.07 -0.86 1.48 1.21 -1.32 0.00 0.00 176.35 176.79 2k8r n GLU 83 N 6.80 1.97 0.00 1.98 2.13 -0.56 -4.95 120.64 128.02 2k8r n GLU 83 Ca 0.10 -1.47 0.00 0.00 0.66 0.00 0.00 57.16 56.45 2k8r n GLU 83 Cb 0.47 -1.42 0.00 0.00 0.27 0.00 0.00 31.44 30.76 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 0.69 0.00 -0.70 5.31 2.13 -1.20 -4.79 120.64 122.07 2k8r n GLU 84 Ca 0.17 0.00 -0.41 0.00 0.66 0.00 0.00 57.16 57.57 2k8r n GLU 84 Cb 0.41 -0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.01 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 1.69 1.23 -3.63 4.31 5.15 -1.26 -4.15 115.26 118.60 2k8r n ASN 85 Ca 0.00 -2.52 -0.24 0.00 -0.60 0.00 0.00 54.58 51.22 2k8r n ASN 85 Cb 0.00 -0.71 -0.04 0.00 -0.53 0.00 0.00 39.78 38.49 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 10.05 -1.54 -3.48 1.20 1.44 -1.26 -4.84 115.22 116.78 2k8r n HIS 86 Ca 0.47 0.38 -0.12 0.00 -2.01 0.00 0.00 57.72 56.44 2k8r n HIS 86 Cb 0.42 -1.50 -0.03 0.00 0.12 0.00 0.00 29.99 29.01 2k8r n HIS 86 CO 0.00 0.00 0.00 -0.47 -2.81 0.00 0.00 176.34 173.06 2k8r s TYR 87 N -2.69 -0.49 -0.02 -1.40 6.14 -1.26 -4.77 117.35 112.86 2k8r s TYR 87 Ca 0.46 0.50 -0.19 0.00 0.64 0.00 0.00 57.07 58.48 2k8r s TYR 87 Cb -0.27 0.51 0.04 0.00 0.42 0.00 0.00 41.96 42.65 2k8r s TYR 87 CO 0.57 -0.65 0.41 0.54 0.64 0.00 0.00 175.55 177.06 2k8r s ASN 88 N -2.15 -0.32 -0.13 4.32 2.20 -0.51 -1.50 114.94 116.86 2k8r s ASN 88 Ca -0.01 0.26 -0.04 0.00 -0.94 0.00 0.00 52.86 52.13 2k8r s ASN 88 Cb -0.01 0.37 -0.03 0.00 -2.00 0.00 0.00 41.25 39.58 2k8r s ASN 88 CO -0.05 -0.49 0.02 -0.89 -2.94 0.00 0.00 177.10 172.75 2k8r s THR 89 N -1.28 4.46 -0.18 0.54 2.01 0.47 -3.42 115.64 118.23 2k8r s THR 89 Ca -0.13 -0.17 0.00 0.00 0.31 0.00 0.00 61.69 61.70 2k8r s THR 89 Cb -0.04 -2.94 0.01 0.00 0.01 0.00 0.00 72.50 69.54 2k8r s THR 89 CO 0.06 0.54 -0.17 -0.31 -0.69 0.00 0.00 174.62 174.05 2k8r s TYR 90 N -0.22 2.80 0.09 4.92 2.02 -1.26 0.97 117.35 126.66 2k8r s TYR 90 Ca 0.06 -1.42 0.02 0.00 -0.37 0.00 0.00 57.07 55.37 2k8r s TYR 90 Cb -0.12 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.46 2k8r s TYR 90 CO 0.02 -0.70 -0.08 0.96 -1.57 0.00 0.00 175.55 174.18 2k8r s ILE 91 N 1.22 0.73 0.11 2.71 -4.36 -0.47 -3.45 121.20 117.69 2k8r s ILE 91 Ca 0.03 -1.66 -0.31 0.00 -0.26 0.00 0.00 60.65 58.45 2k8r s ILE 91 Cb -0.14 -1.35 -0.08 0.00 1.25 0.00 0.00 42.46 42.15 2k8r s ILE 91 CO -0.09 -0.67 1.34 -0.44 0.24 0.00 0.00 174.94 175.32 2k8r s SER 92 N -2.54 6.89 -0.09 4.36 0.01 -1.26 0.56 113.70 121.63 2k8r s SER 92 Ca 0.05 2.27 -0.02 0.00 1.31 0.00 0.00 55.95 59.56 2k8r s SER 92 Cb -0.01 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2k8r s SER 92 CO -0.02 -0.60 -0.03 0.50 0.41 0.00 0.00 173.24 173.50 2k8r h LYS 93 N 6.62 0.00 -0.78 12.44 3.11 -1.37 -3.36 116.57 133.24 2k8r h LYS 93 Ca -0.42 0.00 0.08 0.00 -2.81 0.00 0.00 60.65 57.49 2k8r h LYS 93 Cb 1.21 0.00 -0.07 0.00 -1.00 0.00 0.00 32.23 32.38 2k8r h LYS 93 CO 0.84 0.00 0.45 -0.22 -2.81 0.00 0.00 179.45 177.71 2k8r h LYS 94 N -0.81 0.76 -1.92 1.90 3.64 -1.85 -2.26 116.57 116.04 2k8r h LYS 94 Ca 0.00 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 59.19 2k8r h LYS 94 Cb 0.10 -0.17 -0.06 0.00 -0.41 0.00 0.00 32.23 31.69 2k8r h LYS 94 CO 0.00 0.50 -0.00 0.72 -2.27 0.00 0.00 179.45 178.40 2k8r n HIS 95 N -4.74 0.38 -0.34 1.91 8.25 -1.26 -4.55 115.22 114.87 2k8r n HIS 95 Ca 0.12 -1.37 0.15 0.00 -0.26 0.00 0.00 57.72 56.36 2k8r n HIS 95 Cb 0.23 -0.94 0.37 0.00 1.12 0.00 0.00 29.99 30.77 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 1.77 1.80 -0.59 -1.41 0.00 -1.54 0.30 119.26 119.58 2k8r h ALA 96 Ca 0.13 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.21 2k8r h ALA 96 Cb 1.10 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 2k8r h ALA 96 CO 0.26 -0.18 0.40 0.93 0.00 0.00 0.00 179.25 180.66 2k8r h GLU 97 N 0.67 0.37 -2.08 0.00 4.39 -1.89 -3.18 114.58 112.87 2k8r h GLU 97 Ca 0.57 -0.02 -0.56 0.00 0.34 0.00 0.00 59.36 59.68 2k8r h GLU 97 Cb 1.01 -0.08 -0.40 0.00 -0.10 0.00 0.00 28.75 29.18 2k8r h GLU 97 CO -0.35 0.24 -0.92 1.63 -1.16 0.00 0.00 179.01 178.45 2k8r n LYS 98 N -4.47 1.51 -2.60 2.33 5.02 0.10 -5.07 118.16 115.00 2k8r n LYS 98 Ca 0.10 -3.82 -0.43 0.00 -2.02 0.00 0.00 58.31 52.14 2k8r n LYS 98 Cb 0.39 -1.68 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 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 -1.94 6.60 -0.05 4.39 4.22 -0.98 -4.86 114.94 122.32 2k8r s ASN 99 Ca 0.38 0.41 0.06 0.00 -2.14 0.00 0.00 52.86 51.57 2k8r s ASN 99 Cb 0.20 -2.55 -0.01 0.00 1.28 0.00 0.00 41.25 40.16 2k8r s ASN 99 CO -0.08 -1.30 -0.25 0.26 -2.04 0.00 0.00 177.10 173.70 2k8r s TRP 100 N 4.56 2.43 0.18 1.54 0.52 -1.26 -4.94 118.94 121.97 2k8r s TRP 100 Ca 0.47 -0.66 -0.31 0.00 0.02 0.00 0.00 56.10 55.63 2k8r s TRP 100 Cb -0.07 -1.59 -0.09 0.00 -1.15 0.00 0.00 33.47 30.57 2k8r s TRP 100 CO 0.31 -0.17 1.42 -0.06 0.02 0.00 0.00 176.95 178.47 2k8r s PHE 101 N -0.25 3.15 0.00 -1.98 0.08 -1.26 -4.36 117.98 113.35 2k8r s PHE 101 Ca -0.01 0.96 0.00 0.00 0.12 0.00 0.00 56.93 58.00 2k8r s PHE 101 Cb -0.13 -3.75 0.00 0.00 -0.57 0.00 0.00 43.02 38.57 2k8r s PHE 101 CO 0.03 -2.57 0.00 1.33 -0.10 0.00 0.00 175.22 173.90 2k8r n VAL 102 N 3.28 0.00 0.00 -0.44 0.24 -1.22 -4.60 118.33 115.58 2k8r n VAL 102 Ca 0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.40 2k8r n VAL 102 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 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 2.57 2.61 4.00 7.63 0.00 -1.26 -4.55 105.19 116.18 2k8r n GLY 103 Ca 0.00 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 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 2.93 0.01 0.99 2.34 -1.26 -1.00 118.68 122.69 2k8r s LEU 104 Ca 0.00 -0.45 -0.00 0.00 0.06 0.00 0.00 54.13 53.74 2k8r s LEU 104 Cb 0.00 -1.78 -0.01 0.00 -0.56 0.00 0.00 46.19 43.84 2k8r s LEU 104 CO 0.00 -2.01 -0.01 -0.75 -1.06 0.00 0.00 176.35 172.53 2k8r s LYS 105 N -5.21 0.17 0.42 1.48 2.47 -1.26 -4.81 119.74 112.99 2k8r s LYS 105 Ca 0.68 -0.30 0.21 0.00 -1.56 0.00 0.00 55.97 55.00 2k8r s LYS 105 Cb -0.04 0.06 1.16 0.00 -1.46 0.00 0.00 37.83 37.55 2k8r s LYS 105 CO 0.45 -0.03 1.79 1.57 0.16 0.00 0.00 175.35 179.29 2k8r h LYS 106 N 5.37 0.33 0.00 4.03 2.10 -1.91 0.91 116.57 127.40 2k8r h LYS 106 Ca -0.28 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.33 2k8r h LYS 106 Cb 1.21 -0.07 -0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2k8r h LYS 106 CO 0.46 0.22 -0.10 -0.97 -2.00 0.00 0.00 179.45 177.05 2k8r h ASN 107 N 0.34 0.00 0.00 7.07 -0.73 -1.97 -3.37 115.58 116.93 2k8r h ASN 107 Ca 0.58 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.75 2k8r h ASN 107 Cb 1.56 0.00 0.00 0.00 0.27 0.00 0.00 38.32 40.15 2k8r h ASN 107 CO -0.25 0.10 0.00 0.61 -0.37 0.00 0.00 177.43 177.53 2k8r n GLY 108 N -1.06 3.17 3.56 1.57 0.00 0.31 -5.02 105.19 107.74 2k8r n GLY 108 Ca -0.02 -1.00 -0.19 0.00 0.00 0.00 0.00 46.02 44.81 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 4.35 1.05 1.61 0.01 -1.26 -4.51 113.70 114.95 2k8r s SER 109 Ca 0.00 -0.34 -0.12 0.00 1.31 0.00 0.00 55.95 56.80 2k8r s SER 109 Cb 0.00 -2.56 0.22 0.00 0.21 0.00 0.00 66.02 63.89 2k8r s SER 109 CO 0.00 -3.50 1.07 0.00 0.41 0.00 0.00 173.24 171.22 2k8r s LYS 111 N -4.67 0.26 -0.02 0.00 -0.14 -0.17 -4.94 119.74 110.05 2k8r s LYS 111 Ca 0.67 -0.52 -0.00 0.00 -1.36 0.00 0.00 55.97 54.75 2k8r s LYS 111 Cb -0.22 -1.43 -0.01 0.00 -1.68 0.00 0.00 37.83 34.49 2k8r s LYS 111 CO 0.61 -0.94 -0.03 -2.13 -0.76 0.00 0.00 175.35 172.10 2k8r n ARG 112 N 5.19 0.06 -0.09 1.68 0.00 -0.63 -4.20 116.66 118.68 2k8r n ARG 112 Ca -0.06 0.02 -0.21 0.00 -0.00 0.00 0.00 57.85 57.60 2k8r n ARG 112 Cb 0.43 -0.83 -0.12 0.00 0.00 0.00 0.00 32.46 31.94 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 0.06 0.04 -0.64 5.14 0.00 -0.89 -3.38 103.07 103.40 2k8r h GLY 113 Ca -0.06 -0.10 0.06 0.00 0.00 0.00 0.00 47.33 47.22 2k8r h GLY 113 CO -0.02 0.09 -0.38 -1.05 0.00 0.00 0.00 176.54 175.18 2k8r n PRO 114 N -4.35 -0.28 -2.83 4.80 -0.02 -1.26 -4.54 135.00 126.51 2k8r n PRO 114 Ca -0.30 1.09 0.03 0.00 -2.02 0.00 0.00 63.50 62.30 2k8r n PRO 114 Cb 0.70 -1.60 0.01 0.00 -0.02 0.00 0.00 33.50 32.59 2k8r n PRO 114 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 2k8r s ARG 115 N -4.99 0.05 -0.25 -0.52 3.52 -1.26 -5.14 118.95 110.36 2k8r s ARG 115 Ca -0.08 -0.00 -0.08 0.00 -0.13 0.00 0.00 55.73 55.44 2k8r s ARG 115 Cb 0.07 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.43 2k8r s ARG 115 CO 0.39 -0.07 0.10 -0.08 -0.81 0.00 0.00 175.30 174.83 2k8r s THR 116 N 2.30 4.70 0.00 4.11 -1.32 -1.26 -4.72 115.64 119.45 2k8r s THR 116 Ca 0.20 -0.04 0.00 0.00 -1.21 0.00 0.00 61.69 60.63 2k8r s THR 116 Cb 0.03 -3.19 0.00 0.00 -1.51 0.00 0.00 72.50 67.83 2k8r s THR 116 CO -0.18 0.34 0.00 1.41 -2.21 0.00 0.00 174.62 173.97 2k8r n HIS 117 N 4.70 0.00 -2.91 9.09 -0.00 -1.26 -4.75 115.22 120.08 2k8r n HIS 117 Ca -0.16 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.19 2k8r n HIS 117 Cb 0.52 0.00 -0.06 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 3.79 0.00 4.41 1.51 -1.26 -4.77 117.35 121.03 2k8r s TYR 118 Ca 0.00 1.67 0.00 0.00 -1.01 0.00 0.00 57.07 57.73 2k8r s TYR 118 Cb 0.00 -2.81 0.00 0.00 -0.11 0.00 0.00 41.96 39.04 2k8r s TYR 118 CO 0.00 0.37 0.00 0.41 -1.11 0.00 0.00 175.55 175.22 2k8r n GLY 119 N 1.03 0.14 0.50 0.71 0.00 -1.26 -4.62 105.19 101.70 2k8r n GLY 119 Ca -0.02 -1.06 0.41 0.00 0.00 0.00 0.00 46.02 45.35 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 0.03 -1.09 1.61 4.20 -1.92 0.52 115.11 118.45 2k8r h GLN 120 Ca 0.00 -0.00 0.31 0.00 0.06 0.00 0.00 58.65 59.02 2k8r h GLN 120 Cb 0.00 -0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.72 2k8r h GLN 120 CO 0.00 0.02 0.77 1.57 -0.67 0.00 0.00 178.83 180.51 2k8r h LYS 121 N 0.03 0.09 0.00 1.46 5.09 -1.87 0.39 116.57 121.76 2k8r h LYS 121 Ca 0.87 -0.01 -0.15 0.00 0.09 0.00 0.00 60.65 61.46 2k8r h LYS 121 Cb 2.87 -0.02 -0.02 0.00 0.10 0.00 0.00 32.23 35.16 2k8r h LYS 121 CO -0.40 0.06 -0.69 0.00 -2.09 0.00 0.00 179.45 176.33 2k8r h ALA 122 N 1.49 0.78 -1.17 0.07 0.00 -0.19 -3.37 119.26 116.88 2k8r h ALA 122 Ca 0.54 -0.63 -0.39 0.00 0.00 0.00 0.00 54.91 54.43 2k8r h ALA 122 Cb 1.97 -0.11 -0.40 0.00 0.00 0.00 0.00 17.79 19.25 2k8r h ALA 122 CO -0.08 0.87 -1.16 -0.89 0.00 0.00 0.00 179.25 177.99 2k8r n ILE 123 N -3.60 0.97 -2.81 0.00 -0.00 0.11 -4.50 119.36 109.52 2k8r n ILE 123 Ca -0.00 -3.39 -0.06 0.00 -0.00 0.00 0.00 62.75 59.29 2k8r n ILE 123 Cb 0.70 0.40 0.00 0.00 -0.00 0.00 0.00 39.64 40.75 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 -0.05 -3.21 -4.32 1.39 7.94 0.60 -4.89 117.00 114.46 2k8r n LEU 124 Ca 0.13 -3.05 -0.31 0.00 -1.11 0.00 0.00 56.01 51.67 2k8r n LEU 124 Cb 0.79 0.74 -0.16 0.00 0.53 0.00 0.00 43.42 45.32 2k8r n LEU 124 CO 0.27 1.93 -0.55 -0.36 -1.11 0.00 0.00 177.39 177.57 2k8r s PHE 125 N 0.80 2.42 -0.43 1.96 0.08 -1.22 -4.01 117.98 117.58 2k8r s PHE 125 Ca 0.30 -0.48 0.04 0.00 0.12 0.00 0.00 56.93 56.91 2k8r s PHE 125 Cb 0.01 -1.55 0.11 0.00 -0.57 0.00 0.00 43.02 41.02 2k8r s PHE 125 CO -0.06 -0.06 0.15 -1.17 -0.10 0.00 0.00 175.22 173.98 2k8r s LEU 126 N -0.48 4.44 0.41 -0.37 2.96 0.24 -1.42 118.68 124.46 2k8r s LEU 126 Ca 0.06 -2.56 0.06 0.00 -0.22 0.00 0.00 54.13 51.47 2k8r s LEU 126 Cb -0.11 -1.60 0.01 0.00 0.50 0.00 0.00 46.19 44.98 2k8r s LEU 126 CO 0.01 -0.31 0.57 -2.16 -1.32 0.00 0.00 176.35 173.13 2k8r s PRO 127 N 0.34 2.92 0.30 0.98 0.04 -1.26 -1.13 135.00 137.19 2k8r s PRO 127 Ca 0.14 -1.05 -0.29 0.00 0.04 0.00 0.00 61.00 59.84 2k8r s PRO 127 Cb -0.22 -2.74 -0.10 0.00 0.04 0.00 0.00 34.50 31.48 2k8r s PRO 127 CO -0.04 -0.20 1.19 -1.17 0.04 0.00 0.00 177.00 176.81 2k8r s LEU 128 N -4.35 4.50 0.22 -3.56 2.96 -1.06 -4.90 118.68 112.49 2k8r s LEU 128 Ca 0.51 2.45 0.13 0.00 -0.22 0.00 0.00 54.13 57.00 2k8r s LEU 128 Cb -0.10 -3.64 0.71 0.00 0.50 0.00 0.00 46.19 43.67 2k8r s LEU 128 CO 0.33 -0.31 1.36 -2.65 -1.32 0.00 0.00 176.35 173.76 2k8r n PRO 129 N 1.06 0.09 -1.80 0.98 -0.02 -1.26 -4.49 135.00 129.55 2k8r n PRO 129 Ca -0.01 0.56 -0.20 0.00 -2.02 0.00 0.00 63.50 61.84 2k8r n PRO 129 Cb 0.43 -1.86 -0.07 0.00 -0.02 0.00 0.00 33.50 31.99 2k8r n PRO 129 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2k8r s VAL 130 N -3.29 3.23 0.07 -1.45 -7.23 -1.26 -4.87 120.40 105.59 2k8r s VAL 130 Ca -0.01 -0.23 -0.00 0.00 -1.81 0.00 0.00 61.98 59.93 2k8r s VAL 130 Cb 0.04 -3.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 2k8r s VAL 130 CO 0.12 -0.47 -0.04 -0.44 -0.31 0.00 0.00 175.10 173.96 2k8r s SER 131 N 9.20 0.68 -1.51 4.85 0.01 -1.26 -4.64 113.70 121.03 2k8r s SER 131 Ca 0.81 -1.01 -0.13 0.00 1.31 0.00 0.00 55.95 56.94 2k8r s SER 131 Cb -0.09 0.17 0.00 0.00 0.21 0.00 0.00 66.02 66.31 2k8r s SER 131 CO 0.06 -0.56 2.45 -1.20 0.41 0.00 0.00 173.24 174.40 2k8r n SER 132 N 0.06 5.38 0.00 2.44 7.64 -1.26 -4.97 113.62 122.91 2k8r n SER 132 Ca -0.13 -2.76 0.00 0.00 1.01 0.00 0.00 58.87 56.98 2k8r n SER 132 Cb 0.61 -1.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.18 2k8r n SER 132 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36