#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 4.30 -0.24 -3.48 0.00 -1.26 -4.46 119.74 114.59 2k8r s LYS 2 Ca 0.00 0.80 -0.37 0.00 0.00 0.00 0.00 55.97 56.41 2k8r s LYS 2 Cb 0.00 -3.28 0.15 0.00 0.00 0.00 0.00 37.83 34.70 2k8r s LYS 2 CO 0.00 0.53 1.29 0.15 0.00 0.00 0.00 175.35 177.32 2k8r s LYS 3 N -0.76 0.17 -0.37 1.78 1.02 -1.26 -5.09 119.74 115.24 2k8r s LYS 3 Ca 0.31 -0.06 -0.27 0.00 0.02 0.00 0.00 55.97 55.97 2k8r s LYS 3 Cb -0.20 0.08 -0.06 0.00 -0.52 0.00 0.00 37.83 37.13 2k8r s LYS 3 CO 0.19 -0.07 2.30 -2.14 -0.92 0.00 0.00 175.35 174.71 2k8r s PRO 4 N -2.18 2.60 0.37 -1.68 0.02 -1.26 -4.24 135.00 128.64 2k8r s PRO 4 Ca 0.10 1.67 0.08 0.00 0.02 0.00 0.00 61.00 62.88 2k8r s PRO 4 Cb -0.01 -4.48 -0.04 0.00 0.02 0.00 0.00 34.50 29.99 2k8r s PRO 4 CO -0.04 -2.71 0.21 0.21 -0.33 0.00 0.00 177.00 174.34 2k8r s LYS 5 N 7.32 2.39 0.03 5.54 2.20 0.45 -4.75 119.74 132.92 2k8r s LYS 5 Ca 0.98 -1.60 -0.14 0.00 -0.36 0.00 0.00 55.97 54.85 2k8r s LYS 5 Cb -0.24 -2.19 0.02 0.00 -1.51 0.00 0.00 37.83 33.91 2k8r s LYS 5 CO 0.30 -0.00 0.31 -0.48 -0.36 0.00 0.00 175.35 175.12 2k8r s LEU 6 N -3.93 0.84 -0.57 5.43 2.34 -1.26 -3.89 118.68 117.64 2k8r s LEU 6 Ca 0.41 -0.12 -0.03 0.00 0.06 0.00 0.00 54.13 54.45 2k8r s LEU 6 Cb -0.01 1.36 0.15 0.00 -0.56 0.00 0.00 46.19 47.13 2k8r s LEU 6 CO 0.24 -0.58 0.39 -0.22 -1.06 0.00 0.00 176.35 175.11 2k8r s LEU 7 N -1.90 5.31 -0.20 1.48 2.96 -1.26 -2.51 118.68 122.56 2k8r s LEU 7 Ca -0.07 -2.60 -0.26 0.00 -0.22 0.00 0.00 54.13 50.98 2k8r s LEU 7 Cb -0.02 -1.87 -0.01 0.00 0.50 0.00 0.00 46.19 44.80 2k8r s LEU 7 CO -0.02 -0.43 0.86 -0.47 -1.32 0.00 0.00 176.35 174.97 2k8r s TYR 8 N 0.31 3.38 -0.31 5.38 6.14 0.69 -4.48 117.35 128.46 2k8r s TYR 8 Ca 0.14 1.25 -0.12 0.00 0.64 0.00 0.00 57.07 58.99 2k8r s TYR 8 Cb -0.21 -3.06 -0.03 0.00 0.42 0.00 0.00 41.96 39.08 2k8r s TYR 8 CO -0.04 -0.32 0.21 0.00 0.64 0.00 0.00 175.55 176.05 2k8r n SER 10 N 5.08 4.55 -2.18 0.00 2.88 -1.11 -4.25 113.62 118.59 2k8r n SER 10 Ca -0.13 -2.65 0.00 0.00 -1.33 0.00 0.00 58.87 54.76 2k8r n SER 10 Cb 0.51 -1.38 0.04 0.00 -0.75 0.00 0.00 64.21 62.63 2k8r n SER 10 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 2k8r n ASN 11 N 5.72 1.55 0.00 -3.46 4.05 -1.26 -4.75 115.26 117.10 2k8r n ASN 11 Ca 0.55 -2.19 0.00 0.00 0.45 0.00 0.00 54.58 53.39 2k8r n ASN 11 Cb 0.32 -0.41 0.00 0.00 1.23 0.00 0.00 39.78 40.92 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 -0.21 -0.87 7.00 8.20 0.00 -1.26 -4.84 105.19 113.21 2k8r n GLY 12 Ca 0.09 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.92 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 1.09 -0.12 3.10 -0.02 0.00 -1.26 -4.90 105.19 103.08 2k8r n GLY 13 Ca 0.00 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.85 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 0.76 -0.06 1.61 3.76 -1.26 -4.97 115.29 115.13 2k8r s HIS 14 Ca 0.00 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.29 2k8r s HIS 14 Cb 0.00 -0.45 0.02 0.00 1.11 0.00 0.00 32.58 33.26 2k8r s HIS 14 CO 0.00 -0.09 -0.05 -0.06 -0.85 0.00 0.00 174.74 173.69 2k8r s PHE 15 N -2.04 0.90 0.00 1.40 0.40 -1.02 0.11 117.98 117.73 2k8r s PHE 15 Ca -0.03 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 2k8r s PHE 15 Cb -0.06 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.67 2k8r s PHE 15 CO -0.01 -0.27 0.00 1.47 0.70 0.00 0.00 175.22 177.11 2k8r n LEU 16 N 4.38 0.00 -3.96 -0.37 -0.00 -1.24 -4.17 117.00 111.64 2k8r n LEU 16 Ca -0.19 0.00 -0.25 0.00 -0.00 0.00 0.00 56.01 55.57 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 0.20 0.00 -0.45 -0.60 -0.00 0.00 0.00 177.39 176.54 2k8r s ARG 17 N 0.00 1.52 -0.08 1.47 3.52 -1.20 -2.74 118.95 121.44 2k8r s ARG 17 Ca 0.00 -0.31 0.05 0.00 -0.13 0.00 0.00 55.73 55.34 2k8r s ARG 17 Cb 0.00 -1.42 -0.00 0.00 -1.56 0.00 0.00 34.95 31.97 2k8r s ARG 17 CO 0.00 -0.12 -0.23 -1.50 -0.81 0.00 0.00 175.30 172.65 2k8r s ILE 18 N 1.16 1.91 -0.26 4.11 1.10 -1.26 -1.81 121.20 126.16 2k8r s ILE 18 Ca -0.06 -0.96 -0.11 0.00 -0.51 0.00 0.00 60.65 59.01 2k8r s ILE 18 Cb -0.14 -1.64 -0.05 0.00 0.15 0.00 0.00 42.46 40.77 2k8r s ILE 18 CO -0.02 0.53 0.19 -0.76 -2.11 0.00 0.00 174.94 172.77 2k8r s LEU 19 N 0.16 4.08 0.56 8.50 2.01 0.51 -4.78 118.68 129.71 2k8r s LEU 19 Ca -0.12 0.08 0.37 0.00 0.01 0.00 0.00 54.13 54.48 2k8r s LEU 19 Cb -0.16 -2.14 1.51 0.00 0.01 0.00 0.00 46.19 45.42 2k8r s LEU 19 CO 0.06 0.00 1.73 1.55 1.01 0.00 0.00 176.35 180.70 2k8r h PRO 20 N 7.88 0.00 0.00 1.29 0.13 -1.85 0.80 132.00 140.25 2k8r h PRO 20 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2k8r h PRO 20 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2k8r h PRO 20 CO 0.61 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 177.94 2k8r h ASP 21 N 0.00 0.00 0.00 1.44 3.32 -1.94 -3.37 116.42 115.87 2k8r h ASP 21 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 2k8r h ASP 21 Cb 2.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.99 2k8r h ASP 21 CO -0.01 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 2k8r n GLY 22 N -0.63 0.70 3.29 2.75 0.00 0.27 -4.94 105.19 106.63 2k8r n GLY 22 Ca -0.01 -0.28 -0.13 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.81 0.06 -0.02 2.61 2.01 -0.87 -4.69 115.64 113.93 2k8r s THR 23 Ca 0.00 -0.47 0.00 0.00 0.31 0.00 0.00 61.69 61.53 2k8r s THR 23 Cb 0.00 -0.83 0.03 0.00 0.01 0.00 0.00 72.50 71.71 2k8r s THR 23 CO 0.00 -0.26 0.01 0.54 -0.69 0.00 0.00 174.62 174.22 2k8r s VAL 24 N -1.94 0.07 0.30 3.82 0.11 -1.26 0.19 120.40 121.69 2k8r s VAL 24 Ca -0.09 0.13 0.05 0.00 -2.93 0.00 0.00 61.98 59.14 2k8r s VAL 24 Cb -0.02 -0.18 -0.03 0.00 -1.53 0.00 0.00 36.38 34.61 2k8r s VAL 24 CO 0.01 0.11 0.22 1.51 -3.33 0.00 0.00 175.10 173.63 2k8r s ASP 25 N 0.95 1.35 0.52 3.54 -4.77 -0.75 -3.77 116.67 113.75 2k8r s ASP 25 Ca -0.09 -1.65 -0.22 0.00 -3.30 0.00 0.00 52.55 47.30 2k8r s ASP 25 Cb -0.12 0.50 -0.06 0.00 -1.09 0.00 0.00 42.92 42.14 2k8r s ASP 25 CO -0.02 -0.99 1.23 -0.83 0.70 0.00 0.00 175.17 175.27 2k8r s GLY 26 N -3.33 2.80 -0.17 2.12 0.00 -1.11 -3.23 107.32 104.40 2k8r s GLY 26 Ca 0.39 1.07 -0.31 0.00 0.00 0.00 0.00 44.72 45.87 2k8r s GLY 26 CO 0.22 1.53 1.12 -1.59 0.00 0.00 0.00 173.10 174.39 2k8r s THR 27 N -1.48 0.00 0.11 0.90 2.01 0.29 -4.80 115.64 112.66 2k8r s THR 27 Ca 0.69 0.00 0.08 0.00 0.31 0.00 0.00 61.69 62.77 2k8r s THR 27 Cb -0.33 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.15 2k8r s THR 27 CO 0.38 0.00 -0.14 0.00 -0.69 0.00 0.00 174.62 174.17 2k8r s ARG 28 N -1.80 1.98 0.03 4.92 1.70 -1.26 -2.43 118.95 122.08 2k8r s ARG 28 Ca 0.05 -1.09 -0.16 0.00 -0.47 0.00 0.00 55.73 54.06 2k8r s ARG 28 Cb -0.01 -2.22 0.05 0.00 -0.57 0.00 0.00 34.95 32.21 2k8r s ARG 28 CO -0.04 0.50 0.75 -3.47 -1.08 0.00 0.00 175.30 171.96 2k8r n ASP 29 N 0.79 -0.85 -4.16 -2.89 -0.08 -1.26 -5.05 116.55 103.05 2k8r n ASP 29 Ca -0.15 -1.29 -0.39 0.00 -1.51 0.00 0.00 54.79 51.45 2k8r n ASP 29 Cb 0.52 1.35 -0.07 0.00 2.34 0.00 0.00 41.12 45.26 2k8r n ASP 29 CO 0.00 0.00 0.00 -0.60 0.12 0.00 0.00 177.20 176.72 2k8r s ARG 30 N -2.02 2.88 -1.36 -0.67 6.06 -1.26 -4.72 118.95 117.87 2k8r s ARG 30 Ca 0.17 -2.53 -0.02 0.00 -2.50 0.00 0.00 55.73 50.85 2k8r s ARG 30 Cb -0.01 -3.94 0.01 0.00 0.06 0.00 0.00 34.95 31.08 2k8r s ARG 30 CO 0.01 -1.21 0.71 0.43 -2.50 0.00 0.00 175.30 172.73 2k8r n SER 31 N 3.60 -1.60 -3.52 -2.12 7.64 -1.26 -4.97 113.62 111.39 2k8r n SER 31 Ca 0.10 -0.84 -0.13 0.00 1.01 0.00 0.00 58.87 59.01 2k8r n SER 31 Cb 0.40 -3.89 -0.04 0.00 -1.01 0.00 0.00 64.21 59.67 2k8r n SER 31 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k8r s ASP 32 N -4.20 0.51 0.00 6.43 1.01 -1.26 -4.28 116.67 114.88 2k8r s ASP 32 Ca 0.11 -1.30 0.00 0.00 0.71 0.00 0.00 52.55 52.07 2k8r s ASP 32 Cb -0.05 0.63 0.00 0.00 1.01 0.00 0.00 42.92 44.51 2k8r s ASP 32 CO 0.83 -1.24 0.00 1.67 0.21 0.00 0.00 175.17 176.63 2k8r n GLN 33 N -0.49 2.47 -0.37 8.23 7.27 -1.26 -4.77 117.38 128.46 2k8r n GLN 33 Ca -0.00 0.00 0.32 0.00 0.07 0.00 0.00 57.00 57.39 2k8r n GLN 33 Cb 0.62 0.00 0.64 0.00 2.41 0.00 0.00 30.24 33.91 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 0.35 0.00 3.69 6.17 -1.82 -3.37 115.15 120.17 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 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 29.83 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 -4.43 0.00 -3.50 6.26 5.41 -1.26 -5.00 119.36 116.85 2k8r n ILE 35 Ca 0.29 0.00 -0.10 0.00 1.00 0.00 0.00 62.75 63.94 2k8r n ILE 35 Cb 1.19 -0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.99 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 -1.61 0.89 -0.05 0.38 0.74 -1.26 -4.93 119.66 113.82 2k8r s GLN 36 Ca 0.00 -0.26 -0.02 0.00 0.05 0.00 0.00 55.36 55.13 2k8r s GLN 36 Cb 0.00 0.41 0.04 0.00 1.10 0.00 0.00 33.01 34.56 2k8r s GLN 36 CO 0.00 -0.38 0.09 -1.17 -0.55 0.00 0.00 175.29 173.28 2k8r s LEU 37 N -2.34 0.63 -0.07 3.68 0.20 -1.25 0.23 118.68 119.76 2k8r s LEU 37 Ca 0.03 0.17 0.04 0.00 0.69 0.00 0.00 54.13 55.05 2k8r s LEU 37 Cb -0.01 0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.85 2k8r s LEU 37 CO -0.08 -0.17 -0.18 -1.10 -0.29 0.00 0.00 176.35 174.53 2k8r s GLN 38 N 1.48 2.14 -0.32 1.98 -0.21 0.22 0.17 119.66 125.12 2k8r s GLN 38 Ca -0.05 -0.64 -0.01 0.00 0.02 0.00 0.00 55.36 54.68 2k8r s GLN 38 Cb -0.12 -1.74 0.11 0.00 1.00 0.00 0.00 33.01 32.25 2k8r s GLN 38 CO -0.04 0.17 0.14 -1.17 -2.12 0.00 0.00 175.29 172.26 2k8r s LEU 39 N 0.30 1.54 0.00 2.90 0.20 -1.26 0.15 118.68 122.51 2k8r s LEU 39 Ca -0.11 -1.69 -0.06 0.00 0.69 0.00 0.00 54.13 52.96 2k8r s LEU 39 Cb -0.15 -0.65 0.02 0.00 -0.43 0.00 0.00 46.19 44.99 2k8r s LEU 39 CO 0.05 -0.40 0.27 -1.20 -0.29 0.00 0.00 176.35 174.78 2k8r n SER 40 N 4.75 -0.27 -1.74 3.68 7.64 -1.14 -4.03 113.62 122.51 2k8r n SER 40 Ca -0.01 -1.06 -0.05 0.00 1.01 0.00 0.00 58.87 58.76 2k8r n SER 40 Cb 0.41 0.42 0.03 0.00 -1.01 0.00 0.00 64.21 64.05 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 -2.55 -0.62 -3.04 -0.43 0.00 -1.26 -4.22 120.51 108.39 2k8r n ALA 41 Ca -0.02 -0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 2k8r n ALA 41 Cb 0.13 -1.14 -0.05 0.00 0.00 0.00 0.00 19.45 18.39 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 -4.46 1.71 0.29 0.00 0.41 -1.26 -4.86 118.70 110.53 2k8r s GLU 42 Ca 0.01 -1.48 -0.23 0.00 -0.41 0.00 0.00 54.97 52.85 2k8r s GLU 42 Cb -0.00 0.46 -0.09 0.00 -1.78 0.00 0.00 34.13 32.71 2k8r s GLU 42 CO 0.23 -0.71 0.86 -1.54 -0.49 0.00 0.00 175.26 173.61 2k8r s SER 43 N -3.11 7.21 -0.35 -0.19 1.04 -1.25 -4.91 113.70 112.13 2k8r s SER 43 Ca 0.26 1.67 -0.32 0.00 0.48 0.00 0.00 55.95 58.04 2k8r s SER 43 Cb -0.00 -2.52 -0.14 0.00 0.10 0.00 0.00 66.02 63.47 2k8r s SER 43 CO 0.14 -0.05 1.29 0.55 0.98 0.00 0.00 173.24 176.15 2k8r n VAL 44 N 0.55 0.00 0.00 5.02 3.14 -1.26 0.19 118.33 125.96 2k8r n VAL 44 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2k8r n VAL 44 Cb 0.51 -0.35 0.00 0.00 -1.06 0.00 0.00 33.84 32.94 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 3.92 2.88 3.76 7.55 0.00 -1.26 -5.03 105.19 117.00 2k8r n GLY 45 Ca 0.29 -0.75 -0.41 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 4.54 -0.01 1.61 2.02 0.13 -1.53 118.70 125.47 2k8r s GLU 46 Ca 0.00 1.93 -0.03 0.00 0.02 0.00 0.00 54.97 56.88 2k8r s GLU 46 Cb 0.00 -3.17 -0.00 0.00 0.10 0.00 0.00 34.13 31.06 2k8r s GLU 46 CO 0.00 0.06 0.07 0.14 0.02 0.00 0.00 175.26 175.55 2k8r s VAL 47 N -0.98 0.06 -0.08 2.63 -7.23 0.20 -3.95 120.40 111.04 2k8r s VAL 47 Ca 0.47 -0.47 0.00 0.00 -1.81 0.00 0.00 61.98 60.17 2k8r s VAL 47 Cb -0.34 -0.26 -0.03 0.00 0.56 0.00 0.00 36.38 36.31 2k8r s VAL 47 CO 0.43 -0.26 -0.06 -0.47 -0.31 0.00 0.00 175.10 174.43 2k8r s TYR 48 N -0.82 2.95 -0.31 2.82 5.04 -1.26 -1.26 117.35 124.52 2k8r s TYR 48 Ca -0.09 -0.03 -0.06 0.00 -2.44 0.00 0.00 57.07 54.46 2k8r s TYR 48 Cb -0.05 -1.75 0.03 0.00 0.35 0.00 0.00 41.96 40.54 2k8r s TYR 48 CO 0.00 0.28 0.07 0.42 -1.34 0.00 0.00 175.55 174.98 2k8r s ILE 49 N -0.63 3.66 -0.40 3.14 1.01 -1.26 -2.91 121.20 123.81 2k8r s ILE 49 Ca 0.10 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.65 2k8r s ILE 49 Cb -0.12 -2.99 0.07 0.00 0.01 0.00 0.00 42.46 39.43 2k8r s ILE 49 CO 0.02 -0.04 0.23 -0.75 0.00 0.00 0.00 174.94 174.40 2k8r s LYS 50 N 1.41 2.64 -0.27 2.79 2.47 0.38 -3.98 119.74 125.18 2k8r s LYS 50 Ca -0.00 -1.37 -0.17 0.00 -1.56 0.00 0.00 55.97 52.87 2k8r s LYS 50 Cb -0.18 -3.74 -0.03 0.00 -1.46 0.00 0.00 37.83 32.42 2k8r s LYS 50 CO 0.01 -0.88 0.46 -1.12 0.16 0.00 0.00 175.35 173.98 2k8r s SER 51 N 1.94 6.35 0.12 1.43 0.01 -1.26 0.73 113.70 123.01 2k8r s SER 51 Ca 0.02 0.36 0.00 0.00 1.31 0.00 0.00 55.95 57.65 2k8r s SER 51 Cb -0.22 -2.25 0.00 0.00 0.21 0.00 0.00 66.02 63.76 2k8r s SER 51 CO 0.03 -0.27 0.00 0.41 0.41 0.00 0.00 173.24 173.82 2k8r n THR 52 N 5.17 -3.90 -0.38 1.44 -1.04 0.63 -3.99 114.28 112.21 2k8r n THR 52 Ca -0.06 1.06 -0.10 0.00 -2.04 0.00 0.00 64.05 62.91 2k8r n THR 52 Cb 0.50 -2.36 -0.09 0.00 -1.82 0.00 0.00 70.33 66.56 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 0.14 -0.39 -3.80 -2.82 4.07 -1.26 -4.50 120.64 112.08 2k8r n GLU 53 Ca 0.00 1.35 -0.13 0.00 -0.06 0.00 0.00 57.16 58.33 2k8r n GLU 53 Cb 0.00 -1.99 -0.12 0.00 -0.06 0.00 0.00 31.44 29.27 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 -5.45 -0.00 0.00 6.31 -4.23 -1.26 -4.92 115.64 106.08 2k8r s THR 54 Ca -0.11 0.01 0.00 0.00 -1.18 0.00 0.00 61.69 60.42 2k8r s THR 54 Cb 0.10 -0.27 0.00 0.00 1.34 0.00 0.00 72.50 73.67 2k8r s THR 54 CO 0.56 0.01 0.00 0.61 -0.54 0.00 0.00 174.62 175.25 2k8r n GLY 55 N 3.08 3.51 3.99 3.99 0.00 -1.26 -5.09 105.19 113.41 2k8r n GLY 55 Ca -0.14 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.74 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 2.73 -0.21 1.61 -1.52 -1.26 -4.50 119.66 116.51 2k8r s GLN 56 Ca 0.00 -0.96 -0.18 0.00 -1.95 0.00 0.00 55.36 52.28 2k8r s GLN 56 Cb 0.00 -2.62 0.06 0.00 -0.22 0.00 0.00 33.01 30.23 2k8r s GLN 56 CO 0.00 -0.46 0.55 -0.47 -0.25 0.00 0.00 175.29 174.67 2k8r s TYR 57 N -2.55 -0.66 -0.27 0.91 6.14 -1.26 -4.67 117.35 114.98 2k8r s TYR 57 Ca 0.55 1.54 -0.15 0.00 0.64 0.00 0.00 57.07 59.65 2k8r s TYR 57 Cb -0.10 0.27 -0.04 0.00 0.42 0.00 0.00 41.96 42.51 2k8r s TYR 57 CO 0.36 -0.33 0.38 -1.17 0.64 0.00 0.00 175.55 175.43 2k8r s LEU 58 N 0.59 4.06 0.05 6.97 1.98 -1.26 0.88 118.68 131.95 2k8r s LEU 58 Ca -0.02 0.26 0.01 0.00 -2.89 0.00 0.00 54.13 51.49 2k8r s LEU 58 Cb -0.05 -2.43 -0.03 0.00 0.66 0.00 0.00 46.19 44.35 2k8r s LEU 58 CO -0.03 -0.20 -0.06 0.00 -1.89 0.00 0.00 176.35 174.17 2k8r s ALA 59 N 2.08 0.55 0.03 5.97 0.00 0.47 -4.53 121.76 126.32 2k8r s ALA 59 Ca 0.15 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.32 2k8r s ALA 59 Cb -0.16 0.10 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2k8r s ALA 59 CO 0.10 -0.11 -0.22 0.00 0.00 0.00 0.00 175.76 175.53 2k8r s MET 60 N -2.14 1.57 0.17 0.00 0.23 -1.26 0.36 119.30 118.24 2k8r s MET 60 Ca -0.06 -0.92 -0.30 0.00 -1.03 0.00 0.00 55.69 53.38 2k8r s MET 60 Cb -0.06 -1.64 -0.07 0.00 -1.53 0.00 0.00 34.83 31.53 2k8r s MET 60 CO -0.02 0.43 0.98 0.34 -2.03 0.00 0.00 175.02 174.72 2k8r s ASP 61 N -0.98 7.51 0.44 -1.18 -1.08 0.59 -4.90 116.67 117.06 2k8r s ASP 61 Ca 0.08 1.91 0.19 0.00 -0.52 0.00 0.00 52.55 54.22 2k8r s ASP 61 Cb -0.09 -2.60 1.15 0.00 -1.46 0.00 0.00 42.92 39.92 2k8r s ASP 61 CO 0.01 -0.01 1.87 0.00 0.52 0.00 0.00 175.17 177.56 2k8r h THR 62 N 3.64 0.68 -0.36 1.71 1.03 -2.00 0.35 112.91 117.96 2k8r h THR 62 Ca -0.44 -0.12 0.00 0.00 -0.01 0.00 0.00 66.41 65.85 2k8r h THR 62 Cb 1.21 0.31 -0.02 0.00 -1.07 0.00 0.00 68.15 68.58 2k8r h THR 62 CO 0.70 0.06 0.23 -0.78 -0.01 0.00 0.00 175.52 175.72 2k8r h ASP 63 N 0.34 0.43 0.00 0.00 3.58 -2.00 -3.46 116.42 115.30 2k8r h ASP 63 Ca 0.44 -0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.85 2k8r h ASP 63 Cb 1.19 -0.11 0.00 0.00 1.72 0.00 0.00 39.33 42.13 2k8r h ASP 63 CO -0.14 0.34 0.00 0.61 -2.88 0.00 0.00 179.24 177.17 2k8r n GLY 64 N -1.12 -0.05 2.81 -0.78 0.00 0.11 -3.52 105.19 102.63 2k8r n GLY 64 Ca -0.00 -0.12 -0.15 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 0.85 -0.12 0.99 1.98 -1.18 -0.35 118.68 120.85 2k8r s LEU 65 Ca 0.00 0.13 -0.12 0.00 -2.89 0.00 0.00 54.13 51.25 2k8r s LEU 65 Cb 0.00 0.06 -0.05 0.00 0.66 0.00 0.00 46.19 46.86 2k8r s LEU 65 CO 0.00 -0.15 0.25 -0.76 -1.89 0.00 0.00 176.35 173.80 2k8r s LEU 66 N 1.25 4.32 0.05 -0.68 1.02 -1.26 0.22 118.68 123.60 2k8r s LEU 66 Ca -0.07 0.55 -0.06 0.00 0.02 0.00 0.00 54.13 54.56 2k8r s LEU 66 Cb -0.12 -2.29 -0.01 0.00 0.02 0.00 0.00 46.19 43.78 2k8r s LEU 66 CO -0.04 0.24 0.11 -0.72 0.02 0.00 0.00 176.35 175.96 2k8r s TYR 67 N -0.25 0.20 -0.40 0.29 -0.85 0.16 -4.64 117.35 111.85 2k8r s TYR 67 Ca 0.16 -0.54 -0.06 0.00 -0.52 0.00 0.00 57.07 56.11 2k8r s TYR 67 Cb -0.13 -0.14 0.09 0.00 0.38 0.00 0.00 41.96 42.16 2k8r s TYR 67 CO 0.05 -0.41 0.21 0.20 -1.52 0.00 0.00 175.55 174.09 2k8r s GLY 68 N -2.33 1.95 -0.19 5.49 0.00 -1.26 -0.39 107.32 110.60 2k8r s GLY 68 Ca -0.02 -2.27 -0.20 0.00 0.00 0.00 0.00 44.72 42.23 2k8r s GLY 68 CO -0.06 0.97 0.56 -0.56 0.00 0.00 0.00 173.10 174.00 2k8r s SER 69 N 1.96 -0.57 -0.79 1.64 0.01 0.25 -3.58 113.70 112.62 2k8r s SER 69 Ca 0.04 1.04 -0.26 0.00 1.31 0.00 0.00 55.95 58.08 2k8r s SER 69 Cb -0.23 1.05 -0.13 0.00 0.21 0.00 0.00 66.02 66.92 2k8r s SER 69 CO -0.01 -0.25 2.40 -1.58 0.41 0.00 0.00 173.24 174.22 2k8r s GLN 70 N 0.07 1.62 -0.41 12.44 -0.44 -1.26 -4.05 119.66 127.62 2k8r s GLN 70 Ca -0.02 0.49 0.04 0.00 -2.50 0.00 0.00 55.36 53.37 2k8r s GLN 70 Cb -0.04 -4.79 0.17 0.00 -1.64 0.00 0.00 33.01 26.71 2k8r s GLN 70 CO 0.02 -4.42 0.46 0.99 0.50 0.00 0.00 175.29 172.83 2k8r s THR 71 N 14.69 -0.34 -0.20 -0.34 2.01 -1.26 -5.02 115.64 125.18 2k8r s THR 71 Ca 0.92 -1.35 -0.29 0.00 0.31 0.00 0.00 61.69 61.29 2k8r s THR 71 Cb -0.13 -0.63 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 2k8r s THR 71 CO 0.08 -0.59 2.02 -2.16 -0.69 0.00 0.00 174.62 173.28 2k8r s PRO 72 N 0.99 3.41 0.19 4.92 0.04 -1.26 -4.89 135.00 138.41 2k8r s PRO 72 Ca 0.24 1.95 -0.19 0.00 0.04 0.00 0.00 61.00 63.04 2k8r s PRO 72 Cb -0.07 -4.26 0.04 0.00 0.04 0.00 0.00 34.50 30.24 2k8r s PRO 72 CO -0.07 -1.77 0.55 1.21 0.04 0.00 0.00 177.00 176.96 2k8r s ASN 73 N 6.73 -0.32 0.60 6.66 3.84 -1.26 -5.02 114.94 126.17 2k8r s ASN 73 Ca 0.91 -0.39 0.29 0.00 0.21 0.00 0.00 52.86 53.88 2k8r s ASN 73 Cb -0.31 0.59 1.66 0.00 -0.55 0.00 0.00 41.25 42.64 2k8r s ASN 73 CO 0.35 -1.06 2.07 -0.33 -2.79 0.00 0.00 177.10 175.35 2k8r h GLU 74 N 2.14 0.00 0.00 0.43 5.08 -2.01 -1.31 114.58 118.92 2k8r h GLU 74 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2k8r h GLU 74 Cb 1.27 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2k8r h GLU 74 CO 0.36 0.00 0.13 0.39 -1.00 0.00 0.00 179.01 178.89 2k8r n GLU 75 N -3.71 0.11 -0.06 2.33 -0.58 -1.26 -0.79 120.64 116.67 2k8r n GLU 75 Ca 0.02 0.59 0.08 0.00 -0.42 0.00 0.00 57.16 57.43 2k8r n GLU 75 Cb 0.36 -1.98 0.34 0.00 -0.57 0.00 0.00 31.44 29.59 2k8r n GLU 75 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2k8r s LEU 77 N -1.40 5.21 0.42 0.00 2.01 0.03 -4.16 118.68 120.80 2k8r s LEU 77 Ca 0.25 -1.25 0.07 0.00 0.01 0.00 0.00 54.13 53.22 2k8r s LEU 77 Cb 0.13 -2.35 -0.03 0.00 0.01 0.00 0.00 46.19 43.94 2k8r s LEU 77 CO 0.20 -1.06 0.28 -0.36 1.01 0.00 0.00 176.35 176.42 2k8r s PHE 78 N 2.72 2.62 -0.17 0.29 0.40 -0.39 -2.02 117.98 121.43 2k8r s PHE 78 Ca 0.13 -0.55 0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2k8r s PHE 78 Cb -0.22 -2.06 0.02 0.00 0.51 0.00 0.00 43.02 41.27 2k8r s PHE 78 CO 0.08 0.02 -0.18 -1.17 0.70 0.00 0.00 175.22 174.67 2k8r s LEU 79 N -4.02 2.03 -0.41 -0.37 1.98 0.25 0.59 118.68 118.73 2k8r s LEU 79 Ca 0.44 -0.62 -0.16 0.00 -2.89 0.00 0.00 54.13 50.90 2k8r s LEU 79 Cb 0.00 -1.38 0.02 0.00 0.66 0.00 0.00 46.19 45.49 2k8r s LEU 79 CO 0.25 -0.03 0.34 -0.70 -1.89 0.00 0.00 176.35 174.33 2k8r s GLU 80 N 1.35 3.06 -0.71 1.98 2.12 -0.58 -2.07 118.70 123.84 2k8r s GLU 80 Ca 0.05 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.37 2k8r s GLU 80 Cb -0.13 -3.96 0.19 0.00 0.26 0.00 0.00 34.13 30.48 2k8r s GLU 80 CO -0.12 -0.76 0.62 0.50 -0.54 0.00 0.00 175.26 174.96 2k8r s ARG 81 N 1.83 3.17 -0.35 4.30 3.52 0.11 -4.73 118.95 126.80 2k8r s ARG 81 Ca 0.07 -2.35 -0.20 0.00 -0.13 0.00 0.00 55.73 53.13 2k8r s ARG 81 Cb -0.18 -4.18 0.00 0.00 -1.56 0.00 0.00 34.95 29.02 2k8r s ARG 81 CO 0.11 -1.25 0.63 -1.17 -0.81 0.00 0.00 175.30 172.81 2k8r s LEU 82 N 0.35 4.25 0.00 -0.88 2.96 -1.26 0.86 118.68 124.96 2k8r s LEU 82 Ca 0.15 0.16 0.19 0.00 -0.22 0.00 0.00 54.13 54.41 2k8r s LEU 82 Cb -0.16 -2.77 0.52 0.00 0.50 0.00 0.00 46.19 44.28 2k8r s LEU 82 CO -0.06 -0.58 1.43 1.21 -1.32 0.00 0.00 176.35 177.04 2k8r n GLU 83 N 6.01 2.15 0.00 1.98 2.13 -1.06 -4.94 120.64 126.91 2k8r n GLU 83 Ca -0.01 -1.77 0.00 0.00 0.66 0.00 0.00 57.16 56.04 2k8r n GLU 83 Cb 0.49 -1.43 0.00 0.00 0.27 0.00 0.00 31.44 30.77 2k8r n GLU 83 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 2k8r n GLU 84 N 0.95 0.00 -0.31 5.31 0.28 -1.25 -4.81 120.64 120.81 2k8r n GLU 84 Ca 0.17 0.00 -0.14 0.00 -0.16 0.00 0.00 57.16 57.04 2k8r n GLU 84 Cb 0.45 -0.43 -0.02 0.00 1.43 0.00 0.00 31.44 32.87 2k8r n GLU 84 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2k8r n ASN 85 N 0.96 1.48 -2.40 -1.84 5.15 -1.26 -4.35 115.26 113.00 2k8r n ASN 85 Ca 0.00 -2.18 -0.03 0.00 -0.60 0.00 0.00 54.58 51.77 2k8r n ASN 85 Cb 0.00 -0.68 -0.00 0.00 -0.53 0.00 0.00 39.78 38.57 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 5.46 -1.81 -3.51 1.20 1.44 -1.26 -4.83 115.22 111.90 2k8r n HIS 86 Ca 0.20 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.81 2k8r n HIS 86 Cb 0.11 -1.39 -0.02 0.00 0.12 0.00 0.00 29.99 28.81 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 -2.08 -0.42 0.26 -1.40 1.13 -1.26 -4.62 117.35 108.97 2k8r s TYR 87 Ca 0.00 0.21 -0.08 0.00 -1.41 0.00 0.00 57.07 55.79 2k8r s TYR 87 Cb 0.00 0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 41.42 2k8r s TYR 87 CO 0.00 -0.78 0.41 0.54 -2.51 0.00 0.00 175.55 173.22 2k8r s ASN 88 N -2.68 0.22 -0.08 -0.18 2.20 -0.54 -2.58 114.94 111.30 2k8r s ASN 88 Ca 0.04 -1.17 0.02 0.00 -0.94 0.00 0.00 52.86 50.81 2k8r s ASN 88 Cb -0.01 0.57 0.01 0.00 -2.00 0.00 0.00 41.25 39.82 2k8r s ASN 88 CO -0.09 -1.13 -0.14 0.42 -2.94 0.00 0.00 177.10 173.22 2k8r s THR 89 N -3.77 1.29 -0.21 0.54 -4.23 0.25 -3.91 115.64 105.59 2k8r s THR 89 Ca 0.28 -0.55 -0.05 0.00 -1.18 0.00 0.00 61.69 60.19 2k8r s THR 89 Cb 0.01 -1.18 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 2k8r s THR 89 CO 0.13 0.39 -0.01 -0.31 -0.54 0.00 0.00 174.62 174.28 2k8r s TYR 90 N 0.76 3.01 0.17 3.99 2.02 -1.26 0.07 117.35 126.10 2k8r s TYR 90 Ca -0.12 -0.63 0.07 0.00 -0.37 0.00 0.00 57.07 56.02 2k8r s TYR 90 Cb -0.16 -2.11 -0.04 0.00 -0.40 0.00 0.00 41.96 39.25 2k8r s TYR 90 CO 0.03 -0.37 -0.15 0.96 -1.57 0.00 0.00 175.55 174.45 2k8r s ILE 91 N 1.25 1.60 -0.59 2.71 -4.36 -0.88 -2.79 121.20 118.14 2k8r s ILE 91 Ca 0.03 -1.98 -0.27 0.00 -0.26 0.00 0.00 60.65 58.17 2k8r s ILE 91 Cb -0.15 -1.83 0.01 0.00 1.25 0.00 0.00 42.46 41.74 2k8r s ILE 91 CO 0.00 -0.48 1.49 -0.44 0.24 0.00 0.00 174.94 175.76 2k8r s SER 92 N -2.88 5.96 0.08 4.36 0.01 -1.26 -0.58 113.70 119.39 2k8r s SER 92 Ca 0.16 0.23 -0.26 0.00 1.31 0.00 0.00 55.95 57.39 2k8r s SER 92 Cb -0.03 -2.54 -0.16 0.00 0.21 0.00 0.00 66.02 63.49 2k8r s SER 92 CO 0.05 -1.85 1.70 0.50 0.41 0.00 0.00 173.24 174.05 2k8r h LYS 93 N 11.71 -0.30 -0.87 12.44 3.11 -1.66 -2.69 116.57 138.30 2k8r h LYS 93 Ca -0.27 0.02 0.09 0.00 -2.81 0.00 0.00 60.65 57.68 2k8r h LYS 93 Cb 1.10 0.07 -0.07 0.00 -1.00 0.00 0.00 32.23 32.33 2k8r h LYS 93 CO 1.19 -0.20 0.52 -0.22 -2.81 0.00 0.00 179.45 177.93 2k8r h LYS 94 N -0.32 0.86 -2.02 1.90 3.64 -1.81 -2.42 116.57 116.40 2k8r h LYS 94 Ca -0.03 -0.05 -0.68 0.00 -1.27 0.00 0.00 60.65 58.62 2k8r h LYS 94 Cb 0.24 -0.19 -0.24 0.00 -0.41 0.00 0.00 32.23 31.63 2k8r h LYS 94 CO 0.05 0.57 0.86 0.72 -2.27 0.00 0.00 179.45 179.39 2k8r n HIS 95 N -4.68 2.50 -0.31 1.91 8.25 -1.04 -4.71 115.22 117.15 2k8r n HIS 95 Ca 0.14 -2.21 0.26 0.00 -0.26 0.00 0.00 57.72 55.65 2k8r n HIS 95 Cb 0.26 -1.26 0.58 0.00 1.12 0.00 0.00 29.99 30.69 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 3.06 2.47 -0.84 -1.41 0.00 -1.22 0.45 119.26 121.79 2k8r h ALA 96 Ca 0.51 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2k8r h ALA 96 Cb 0.27 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 2k8r h ALA 96 CO 1.24 -0.85 0.42 0.93 0.00 0.00 0.00 179.25 180.99 2k8r h GLU 97 N 0.28 1.19 -1.70 0.00 4.39 -1.88 -3.01 114.58 113.85 2k8r h GLU 97 Ca 0.57 -0.16 -0.62 0.00 0.34 0.00 0.00 59.36 59.49 2k8r h GLU 97 Cb 1.67 -0.22 -0.40 0.00 -0.10 0.00 0.00 28.75 29.70 2k8r h GLU 97 CO -0.20 0.90 -0.45 1.63 -1.16 0.00 0.00 179.01 179.73 2k8r n LYS 98 N -4.31 3.37 -1.55 2.33 5.02 0.15 -4.97 118.16 118.18 2k8r n LYS 98 Ca 0.08 -4.43 -0.35 0.00 -2.02 0.00 0.00 58.31 51.59 2k8r n LYS 98 Cb 0.13 -2.26 -0.07 0.00 -0.02 0.00 0.00 35.03 32.82 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 -0.45 2.63 -4.87 4.39 6.94 -0.42 -4.77 115.26 118.71 2k8r n ASN 99 Ca 0.40 -2.67 -0.31 0.00 -0.02 0.00 0.00 54.58 51.98 2k8r n ASN 99 Cb 0.56 -1.39 -0.05 0.00 -2.36 0.00 0.00 39.78 36.54 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 8.47 3.43 0.08 -2.53 0.52 -1.26 -4.82 118.94 122.83 2k8r s TRP 100 Ca 0.64 0.94 -0.30 0.00 0.02 0.00 0.00 56.10 57.40 2k8r s TRP 100 Cb 0.07 -2.33 -0.05 0.00 -1.15 0.00 0.00 33.47 30.01 2k8r s TRP 100 CO 0.15 0.15 0.99 -0.06 0.02 0.00 0.00 176.95 178.19 2k8r s PHE 101 N -2.00 3.73 0.92 -1.98 0.08 -1.26 -4.04 117.98 113.43 2k8r s PHE 101 Ca 0.49 1.73 -0.15 0.00 0.12 0.00 0.00 56.93 59.13 2k8r s PHE 101 Cb -0.11 -3.11 0.17 0.00 -0.57 0.00 0.00 43.02 39.41 2k8r s PHE 101 CO 0.24 0.02 1.28 0.14 -0.10 0.00 0.00 175.22 176.80 2k8r s VAL 102 N 0.36 1.99 0.00 -0.44 -7.23 -1.12 -4.60 120.40 109.36 2k8r s VAL 102 Ca 0.49 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 2k8r s VAL 102 Cb -0.23 -2.99 0.00 0.00 0.56 0.00 0.00 36.38 33.72 2k8r s VAL 102 CO 0.30 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.70 2k8r n GLY 103 N -3.59 4.43 0.00 2.32 0.00 -1.26 -4.66 105.19 102.43 2k8r n GLY 103 Ca 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.38 2k8r n GLY 103 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k8r n LEU 104 N 0.00 0.00 -3.97 0.99 -0.00 -1.26 -0.38 117.00 112.37 2k8r n LEU 104 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 56.01 55.87 2k8r n LEU 104 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 2k8r n LEU 104 CO 0.00 0.00 -0.40 -0.75 -0.00 0.00 0.00 177.39 176.24 2k8r s LYS 105 N -0.12 0.39 0.45 1.47 2.47 0.50 -4.86 119.74 120.05 2k8r s LYS 105 Ca 0.00 -0.32 0.32 0.00 -1.56 0.00 0.00 55.97 54.42 2k8r s LYS 105 Cb 0.00 -0.31 1.47 0.00 -1.46 0.00 0.00 37.83 37.53 2k8r s LYS 105 CO 0.00 0.08 1.62 1.57 0.16 0.00 0.00 175.35 178.77 2k8r h LYS 106 N 5.61 0.06 -0.13 4.03 2.10 -1.89 0.85 116.57 127.21 2k8r h LYS 106 Ca -0.29 -0.00 0.04 0.00 -2.00 0.00 0.00 60.65 58.39 2k8r h LYS 106 Cb 1.20 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.51 2k8r h LYS 106 CO 0.48 0.04 0.24 -0.97 -2.00 0.00 0.00 179.45 177.24 2k8r h ASN 107 N 0.07 0.00 0.00 7.07 -0.73 -1.96 -2.93 115.58 117.09 2k8r h ASN 107 Ca 0.83 0.00 0.00 0.00 1.87 0.00 0.00 56.30 59.00 2k8r h ASN 107 Cb 2.71 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.30 2k8r h ASN 107 CO -0.37 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.30 2k8r n GLY 108 N -1.31 0.60 3.25 1.57 0.00 0.29 -4.93 105.19 104.67 2k8r n GLY 108 Ca 0.01 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 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 -1.11 -0.47 0.26 1.61 0.01 -1.16 -4.66 113.70 108.18 2k8r s SER 109 Ca 0.00 0.84 -0.09 0.00 1.31 0.00 0.00 55.95 58.01 2k8r s SER 109 Cb 0.00 0.74 -0.07 0.00 0.21 0.00 0.00 66.02 66.90 2k8r s SER 109 CO 0.00 -0.18 0.57 0.00 0.41 0.00 0.00 173.24 174.04 2k8r n LYS 111 N -0.41 1.70 0.02 0.00 4.76 0.49 -4.87 118.16 119.85 2k8r n LYS 111 Ca 0.00 -3.68 -0.22 0.00 -2.87 0.00 0.00 58.31 51.54 2k8r n LYS 111 Cb 0.53 -1.66 -0.14 0.00 -1.84 0.00 0.00 35.03 31.91 2k8r n LYS 111 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2k8r h ARG 112 N 2.93 0.28 0.04 1.97 1.12 -1.54 -3.37 114.38 115.81 2k8r h ARG 112 Ca 0.05 -0.47 -0.07 0.00 -1.11 0.00 0.00 59.98 58.38 2k8r h ARG 112 Cb 0.99 0.18 0.01 0.00 -0.01 0.00 0.00 29.97 31.14 2k8r h ARG 112 CO 0.59 1.23 -0.29 0.78 -3.11 0.00 0.00 179.97 179.17 2k8r h GLY 113 N 0.60 0.14 0.04 2.80 0.00 -0.73 -3.40 103.07 102.52 2k8r h GLY 113 Ca -0.37 -0.33 0.01 0.00 0.00 0.00 0.00 47.33 46.63 2k8r h GLY 113 CO 0.08 0.29 -0.21 -2.55 0.00 0.00 0.00 176.54 174.15 2k8r h PRO 114 N -0.71 -0.29 -0.61 4.80 0.11 -1.83 -3.46 132.00 130.02 2k8r h PRO 114 Ca -0.05 0.02 0.21 0.00 0.11 0.00 0.00 66.00 66.29 2k8r h PRO 114 Cb 1.19 0.07 -0.25 0.00 0.11 0.00 0.00 31.00 32.11 2k8r h PRO 114 CO 0.06 -0.19 0.34 0.50 -0.21 0.00 0.00 178.00 178.49 2k8r s ARG 115 N -4.10 0.18 -0.08 1.05 3.52 -1.26 -5.16 118.95 113.11 2k8r s ARG 115 Ca -0.06 0.45 0.02 0.00 -0.13 0.00 0.00 55.73 56.01 2k8r s ARG 115 Cb 0.02 0.27 0.01 0.00 -1.56 0.00 0.00 34.95 33.70 2k8r s ARG 115 CO 0.24 -0.08 -0.13 -0.08 -0.81 0.00 0.00 175.30 174.44 2k8r s THR 116 N 2.34 1.25 0.00 4.11 -1.32 -1.26 -4.84 115.64 115.92 2k8r s THR 116 Ca -0.01 -0.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 2k8r s THR 116 Cb -0.04 -1.14 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2k8r s THR 116 CO -0.16 0.38 0.00 1.41 -2.21 0.00 0.00 174.62 174.04 2k8r n HIS 117 N 3.91 0.00 -2.83 9.09 -0.00 -1.26 -4.87 115.22 119.26 2k8r n HIS 117 Ca -0.21 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.11 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 3.96 0.00 4.41 2.02 -1.26 -4.81 117.35 121.67 2k8r s TYR 118 Ca 0.00 1.82 0.00 0.00 -0.37 0.00 0.00 57.07 58.52 2k8r s TYR 118 Cb 0.00 -2.90 0.00 0.00 -0.40 0.00 0.00 41.96 38.66 2k8r s TYR 118 CO 0.00 0.48 0.00 0.41 -1.57 0.00 0.00 175.55 174.87 2k8r n GLY 119 N 1.53 -1.27 0.51 0.71 0.00 -1.26 -4.58 105.19 100.83 2k8r n GLY 119 Ca -0.03 -0.92 0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 0.12 0.00 1.61 4.20 -1.93 0.43 115.11 119.54 2k8r h GLN 120 Ca 0.00 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.70 2k8r h GLN 120 Cb 0.00 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2k8r h GLN 120 CO 0.00 0.08 0.43 1.57 -0.67 0.00 0.00 178.83 180.24 2k8r h LYS 121 N 0.12 0.00 0.00 1.46 5.09 -1.87 0.75 116.57 122.12 2k8r h LYS 121 Ca 0.73 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.47 2k8r h LYS 121 Cb 2.45 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.78 2k8r h LYS 121 CO -0.23 0.00 -1.08 0.00 -2.09 0.00 0.00 179.45 176.05 2k8r n ALA 122 N -1.78 3.58 -2.77 0.07 0.00 0.15 -4.49 120.51 115.27 2k8r n ALA 122 Ca -0.02 -0.44 -0.02 0.00 0.00 0.00 0.00 53.44 52.96 2k8r n ALA 122 Cb 0.47 -0.93 0.08 0.00 0.00 0.00 0.00 19.45 19.07 2k8r n ALA 122 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2k8r n ILE 123 N -1.89 0.81 -3.27 0.00 -0.00 0.21 -4.54 119.36 110.69 2k8r n ILE 123 Ca 0.02 -2.30 -0.22 0.00 -0.00 0.00 0.00 62.75 60.25 2k8r n ILE 123 Cb 0.43 1.15 -0.08 0.00 -0.00 0.00 0.00 39.64 41.14 2k8r n ILE 123 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 2k8r s LEU 124 N -3.82 0.71 -0.05 1.39 2.96 0.13 -4.84 118.68 115.17 2k8r s LEU 124 Ca 0.21 -2.67 0.06 0.00 -0.22 0.00 0.00 54.13 51.52 2k8r s LEU 124 Cb 0.37 0.10 -0.01 0.00 0.50 0.00 0.00 46.19 47.16 2k8r s LEU 124 CO -0.06 -0.16 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.23 2k8r s PHE 125 N 0.36 2.16 -0.42 5.38 0.08 -1.25 -2.76 117.98 121.53 2k8r s PHE 125 Ca 0.31 -0.60 -0.05 0.00 0.12 0.00 0.00 56.93 56.71 2k8r s PHE 125 Cb 0.01 -1.42 0.11 0.00 -0.57 0.00 0.00 43.02 41.14 2k8r s PHE 125 CO -0.15 -0.17 0.23 -1.17 -0.10 0.00 0.00 175.22 173.86 2k8r s LEU 126 N -0.16 5.31 -0.15 -0.37 2.96 0.45 -1.46 118.68 125.25 2k8r s LEU 126 Ca -0.02 -1.95 -0.10 0.00 -0.22 0.00 0.00 54.13 51.84 2k8r s LEU 126 Cb -0.12 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2k8r s LEU 126 CO 0.03 -0.57 0.17 -2.16 -1.32 0.00 0.00 176.35 172.50 2k8r s PRO 127 N 1.21 3.91 0.04 0.98 0.04 -1.26 -0.22 135.00 139.70 2k8r s PRO 127 Ca 0.07 -0.11 -0.35 0.00 0.04 0.00 0.00 61.00 60.65 2k8r s PRO 127 Cb -0.23 -3.32 -0.14 0.00 0.04 0.00 0.00 34.50 30.84 2k8r s PRO 127 CO -0.03 0.49 1.61 -0.11 0.04 0.00 0.00 177.00 179.00 2k8r n LEU 128 N 2.86 2.79 -3.40 -3.56 7.94 -1.05 -4.78 117.00 117.80 2k8r n LEU 128 Ca -0.17 1.06 -0.33 0.00 -1.11 0.00 0.00 56.01 55.47 2k8r n LEU 128 Cb 0.53 -1.33 -0.06 0.00 0.53 0.00 0.00 43.42 43.09 2k8r n LEU 128 CO 0.35 -0.42 1.75 -2.65 -1.11 0.00 0.00 177.39 175.32 2k8r n PRO 129 N 4.15 0.85 -1.69 1.96 -0.02 -1.26 -4.29 135.00 134.70 2k8r n PRO 129 Ca 0.19 -1.27 0.00 0.00 -2.02 0.00 0.00 63.50 60.41 2k8r n PRO 129 Cb 0.25 -2.54 0.07 0.00 -0.02 0.00 0.00 33.50 31.25 2k8r n PRO 129 CO 0.00 0.00 0.00 1.33 1.98 0.00 0.00 175.50 178.81 2k8r n VAL 130 N 5.85 1.03 -2.97 -1.45 0.24 -1.26 -5.09 118.33 114.68 2k8r n VAL 130 Ca 0.39 -2.27 -0.18 0.00 -2.04 0.00 0.00 64.34 60.24 2k8r n VAL 130 Cb 0.29 0.59 0.03 0.00 -1.47 0.00 0.00 33.84 33.28 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 -2.86 5.43 -0.80 -1.34 0.01 -1.26 -4.57 113.70 108.32 2k8r s SER 131 Ca 0.35 -0.50 -0.25 0.00 1.31 0.00 0.00 55.95 56.86 2k8r s SER 131 Cb 0.37 -0.39 0.05 0.00 0.21 0.00 0.00 66.02 66.26 2k8r s SER 131 CO -0.10 -0.99 1.23 -0.44 0.41 0.00 0.00 173.24 173.36 2k8r s SER 132 N -4.46 6.27 0.00 2.44 0.01 -1.26 -4.87 113.70 111.83 2k8r s SER 132 Ca 0.57 -0.91 0.17 0.00 1.31 0.00 0.00 55.95 57.10 2k8r s SER 132 Cb -0.09 -2.52 1.03 0.00 0.21 0.00 0.00 66.02 64.65 2k8r s SER 132 CO 0.35 -1.62 1.43 -0.67 0.41 0.00 0.00 173.24 173.14