#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 0.07 -3.48 0.00 -1.26 -4.50 119.74 114.86 2k8r s LYS 2 Ca 0.00 1.37 -0.05 0.00 0.00 0.00 0.00 55.97 57.29 2k8r s LYS 2 Cb 0.00 -3.62 -0.02 0.00 0.00 0.00 0.00 37.83 34.19 2k8r s LYS 2 CO 0.00 -0.56 0.08 0.15 0.00 0.00 0.00 175.35 175.02 2k8r s LYS 3 N 2.94 0.71 -0.44 1.78 1.02 -1.26 -5.04 119.74 119.44 2k8r s LYS 3 Ca 0.45 -1.05 -0.27 0.00 0.02 0.00 0.00 55.97 55.12 2k8r s LYS 3 Cb -0.16 0.27 -0.06 0.00 -0.52 0.00 0.00 37.83 37.36 2k8r s LYS 3 CO 0.09 -0.18 2.30 -2.14 -0.92 0.00 0.00 175.35 174.49 2k8r s PRO 4 N -3.75 2.39 0.10 -1.68 0.02 -1.26 -4.32 135.00 126.51 2k8r s PRO 4 Ca 0.05 1.45 0.03 0.00 0.02 0.00 0.00 61.00 62.55 2k8r s PRO 4 Cb 0.06 -4.51 -0.04 0.00 0.02 0.00 0.00 34.50 30.03 2k8r s PRO 4 CO -0.10 -2.95 0.11 0.21 -0.33 0.00 0.00 177.00 173.94 2k8r s LYS 5 N 7.68 2.95 0.06 5.54 2.20 0.22 -4.83 119.74 133.57 2k8r s LYS 5 Ca 0.94 -0.71 0.06 0.00 -0.36 0.00 0.00 55.97 55.90 2k8r s LYS 5 Cb -0.20 -2.74 -0.03 0.00 -1.51 0.00 0.00 37.83 33.35 2k8r s LYS 5 CO 0.27 0.55 -0.16 -0.48 -0.36 0.00 0.00 175.35 175.18 2k8r s LEU 6 N -2.59 2.22 -0.80 5.43 2.34 -1.26 -3.69 118.68 120.33 2k8r s LEU 6 Ca 0.30 -0.54 -0.09 0.00 0.06 0.00 0.00 54.13 53.86 2k8r s LEU 6 Cb -0.12 -0.65 0.21 0.00 -0.56 0.00 0.00 46.19 45.07 2k8r s LEU 6 CO 0.23 0.02 0.70 -0.22 -1.06 0.00 0.00 176.35 176.02 2k8r s LEU 7 N -1.42 6.10 -0.11 1.48 2.96 -1.26 -2.14 118.68 124.30 2k8r s LEU 7 Ca 0.02 -2.95 -0.24 0.00 -0.22 0.00 0.00 54.13 50.74 2k8r s LEU 7 Cb -0.09 -2.06 -0.03 0.00 0.50 0.00 0.00 46.19 44.51 2k8r s LEU 7 CO 0.02 -0.44 0.75 -0.47 -1.32 0.00 0.00 176.35 174.89 2k8r s TYR 8 N -0.22 3.51 -0.22 5.38 6.14 0.10 -4.41 117.35 127.63 2k8r s TYR 8 Ca 0.20 1.24 -0.05 0.00 0.64 0.00 0.00 57.07 59.10 2k8r s TYR 8 Cb -0.13 -2.88 -0.02 0.00 0.42 0.00 0.00 41.96 39.35 2k8r s TYR 8 CO -0.07 -0.05 -0.00 0.00 0.64 0.00 0.00 175.55 176.07 2k8r n SER 10 N 4.73 4.05 -1.81 0.00 2.88 -1.16 -4.39 113.62 117.93 2k8r n SER 10 Ca -0.17 -2.84 0.03 0.00 -1.33 0.00 0.00 58.87 54.56 2k8r n SER 10 Cb 0.51 -1.64 0.03 0.00 -0.75 0.00 0.00 64.21 62.36 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 8.00 1.12 -0.71 -3.46 4.05 -1.26 -4.77 115.26 118.22 2k8r n ASN 11 Ca 0.50 -2.00 0.00 0.00 0.45 0.00 0.00 54.58 53.52 2k8r n ASN 11 Cb 0.43 -0.34 0.00 0.00 1.23 0.00 0.00 39.78 41.10 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 0.24 -1.55 0.00 8.20 0.00 -1.26 -4.87 105.19 105.95 2k8r n GLY 12 Ca 0.06 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 0.91 -0.14 3.21 -0.02 0.00 -1.26 -4.89 105.19 103.00 2k8r n GLY 13 Ca 0.00 -1.90 -0.15 0.00 0.00 0.00 0.00 46.02 43.97 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 1.17 -0.07 1.61 3.76 -1.26 -4.95 115.29 115.54 2k8r s HIS 14 Ca 0.00 -0.69 -0.03 0.00 -0.15 0.00 0.00 55.06 54.19 2k8r s HIS 14 Cb 0.00 -0.62 0.04 0.00 1.11 0.00 0.00 32.58 33.11 2k8r s HIS 14 CO 0.00 0.04 0.15 -0.06 -0.85 0.00 0.00 174.74 174.02 2k8r s PHE 15 N -2.77 -0.17 0.00 1.40 0.08 -0.65 0.24 117.98 116.10 2k8r s PHE 15 Ca 0.10 0.53 0.00 0.00 0.12 0.00 0.00 56.93 57.68 2k8r s PHE 15 Cb -0.01 -0.13 0.00 0.00 -0.57 0.00 0.00 43.02 42.32 2k8r s PHE 15 CO 0.00 -0.20 0.00 1.47 -0.10 0.00 0.00 175.22 176.40 2k8r n LEU 16 N 4.50 0.00 -4.11 -0.37 -0.00 -1.24 -4.02 117.00 111.76 2k8r n LEU 16 Ca -0.21 0.00 -0.23 0.00 -0.00 0.00 0.00 56.01 55.57 2k8r n LEU 16 Cb 0.51 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.78 2k8r n LEU 16 CO 0.14 0.00 -0.48 -0.60 -0.00 0.00 0.00 177.39 176.46 2k8r s ARG 17 N 0.00 1.23 -0.09 1.47 3.52 -1.23 -2.85 118.95 121.00 2k8r s ARG 17 Ca 0.00 -0.51 -0.01 0.00 -0.13 0.00 0.00 55.73 55.09 2k8r s ARG 17 Cb 0.00 -1.16 0.03 0.00 -1.56 0.00 0.00 34.95 32.25 2k8r s ARG 17 CO 0.00 0.28 -0.04 -1.50 -0.81 0.00 0.00 175.30 173.23 2k8r s ILE 18 N -0.24 0.73 0.04 4.11 1.10 -1.26 -1.99 121.20 123.69 2k8r s ILE 18 Ca 0.04 -0.12 -0.23 0.00 -0.51 0.00 0.00 60.65 59.83 2k8r s ILE 18 Cb -0.07 -0.80 -0.06 0.00 0.15 0.00 0.00 42.46 41.69 2k8r s ILE 18 CO -0.00 0.31 0.71 -0.76 -2.11 0.00 0.00 174.94 173.09 2k8r s LEU 19 N 1.70 4.45 0.40 8.50 2.01 0.40 -4.85 118.68 131.29 2k8r s LEU 19 Ca 0.03 1.37 0.16 0.00 0.01 0.00 0.00 54.13 55.70 2k8r s LEU 19 Cb -0.13 -3.13 1.05 0.00 0.01 0.00 0.00 46.19 43.99 2k8r s LEU 19 CO -0.06 0.07 1.82 1.55 1.01 0.00 0.00 176.35 180.74 2k8r h PRO 20 N 5.50 0.44 -0.26 1.29 0.13 -1.86 0.33 132.00 137.57 2k8r h PRO 20 Ca -0.45 -0.03 0.08 0.00 -0.87 0.00 0.00 66.00 64.73 2k8r h PRO 20 Cb 1.20 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2k8r h PRO 20 CO 0.70 0.29 0.27 -0.44 -0.23 0.00 0.00 178.00 178.59 2k8r h ASP 21 N 0.45 0.00 0.00 1.44 3.32 -1.93 -3.36 116.42 116.34 2k8r h ASP 21 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 2k8r h ASP 21 Cb 1.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.80 2k8r h ASP 21 CO -0.24 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 177.89 2k8r n GLY 22 N -1.45 0.75 3.39 2.75 0.00 0.11 -4.89 105.19 105.86 2k8r n GLY 22 Ca 0.04 -0.27 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.35 0.01 -0.02 2.61 2.01 -1.02 -4.46 115.64 114.40 2k8r s THR 23 Ca 0.00 -0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.02 2k8r s THR 23 Cb 0.00 -0.71 -0.02 0.00 0.01 0.00 0.00 72.50 71.78 2k8r s THR 23 CO 0.00 -0.02 -0.20 0.54 -0.69 0.00 0.00 174.62 174.24 2k8r s VAL 24 N 0.02 2.54 0.07 3.82 0.11 -1.26 0.15 120.40 125.84 2k8r s VAL 24 Ca -0.02 -0.97 0.01 0.00 -2.93 0.00 0.00 61.98 58.06 2k8r s VAL 24 Cb -0.03 -1.95 -0.00 0.00 -1.53 0.00 0.00 36.38 32.86 2k8r s VAL 24 CO 0.02 0.55 0.07 -0.90 -3.33 0.00 0.00 175.10 171.51 2k8r n ASP 25 N 2.27 -0.20 -4.75 3.54 5.75 -0.84 -4.21 116.55 118.11 2k8r n ASP 25 Ca -0.17 -1.42 -0.40 0.00 -0.01 0.00 0.00 54.79 52.79 2k8r n ASP 25 Cb 0.52 0.41 -0.05 0.00 -1.03 0.00 0.00 41.12 40.96 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 -1.46 3.02 0.04 6.12 0.00 -1.26 -3.54 107.32 110.25 2k8r s GLY 26 Ca 0.07 0.52 -0.27 0.00 0.00 0.00 0.00 44.72 45.04 2k8r s GLY 26 CO 0.05 1.18 0.73 -1.59 0.00 0.00 0.00 173.10 173.48 2k8r s THR 27 N -0.75 0.00 -0.06 0.90 2.01 0.14 -4.84 115.64 113.03 2k8r s THR 27 Ca 0.41 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.45 2k8r s THR 27 Cb -0.24 -1.00 -0.02 0.00 0.01 0.00 0.00 72.50 71.25 2k8r s THR 27 CO 0.29 0.00 -0.17 0.00 -0.69 0.00 0.00 174.62 174.05 2k8r s ARG 28 N -2.83 2.63 0.26 4.92 1.70 -1.26 -1.64 118.95 122.73 2k8r s ARG 28 Ca -0.01 -0.75 -0.21 0.00 -0.47 0.00 0.00 55.73 54.29 2k8r s ARG 28 Cb -0.01 -2.35 0.04 0.00 -0.57 0.00 0.00 34.95 32.06 2k8r s ARG 28 CO -0.06 0.50 0.81 0.34 -1.08 0.00 0.00 175.30 175.81 2k8r s ASP 29 N -0.42 -0.17 -1.36 -2.89 -1.08 -1.26 -5.07 116.67 104.42 2k8r s ASP 29 Ca 0.05 -0.67 -0.15 0.00 -0.52 0.00 0.00 52.55 51.25 2k8r s ASP 29 Cb -0.12 0.68 0.07 0.00 -1.46 0.00 0.00 42.92 42.09 2k8r s ASP 29 CO 0.02 -1.29 1.94 -1.14 0.52 0.00 0.00 175.17 175.22 2k8r n ARG 30 N -0.49 3.10 -3.36 4.34 3.00 -1.26 -4.34 116.66 117.64 2k8r n ARG 30 Ca -0.05 -3.05 -0.24 0.00 -0.00 0.00 0.00 57.85 54.51 2k8r n ARG 30 Cb 0.60 -3.33 0.01 0.00 0.00 0.00 0.00 32.46 29.73 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 6.85 -4.29 -4.59 6.15 7.64 -1.26 -4.94 113.62 119.19 2k8r n SER 31 Ca 0.49 -0.41 -0.31 0.00 1.01 0.00 0.00 58.87 59.64 2k8r n SER 31 Cb 0.42 -3.51 -0.08 0.00 -1.01 0.00 0.00 64.21 60.03 2k8r n SER 31 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k8r s ASP 32 N -2.78 3.79 0.00 6.43 -1.08 -1.26 -4.38 116.67 117.39 2k8r s ASP 32 Ca 0.41 -1.67 0.00 0.00 -0.52 0.00 0.00 52.55 50.77 2k8r s ASP 32 Cb -0.21 0.53 0.00 0.00 -1.46 0.00 0.00 42.92 41.79 2k8r s ASP 32 CO 0.51 -0.88 0.00 1.67 0.52 0.00 0.00 175.17 176.98 2k8r n GLN 33 N -1.18 3.03 -0.34 4.34 7.27 -1.26 -4.77 117.38 124.47 2k8r n GLN 33 Ca -0.16 0.00 0.19 0.00 0.07 0.00 0.00 57.00 57.10 2k8r n GLN 33 Cb 0.66 0.00 0.41 0.00 2.41 0.00 0.00 30.24 33.73 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 0.99 0.00 3.69 6.17 -1.85 -3.38 115.15 120.76 2k8r h HIS 34 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 2k8r h HIS 34 Cb 0.00 -0.28 0.00 0.00 2.52 0.00 0.00 27.41 29.65 2k8r h HIS 34 CO 0.00 0.01 0.00 -0.89 0.71 0.00 0.00 177.93 177.76 2k8r n ILE 35 N -4.92 0.00 0.00 6.26 5.41 -1.26 -5.05 119.36 119.80 2k8r n ILE 35 Ca 0.28 0.00 0.00 0.00 1.00 0.00 0.00 62.75 64.03 2k8r n ILE 35 Cb 0.81 -0.13 0.00 0.00 -0.71 0.00 0.00 39.64 39.61 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 -1.81 0.00 -2.98 0.38 7.27 -1.26 -4.88 117.38 114.11 2k8r n GLN 36 Ca 0.00 0.00 -0.41 0.00 0.07 0.00 0.00 57.00 56.66 2k8r n GLN 36 Cb 0.00 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 32.60 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 4.23 -0.13 1.69 0.20 -1.24 0.11 118.68 123.53 2k8r s LEU 37 Ca 0.00 1.14 -0.01 0.00 0.69 0.00 0.00 54.13 55.95 2k8r s LEU 37 Cb 0.00 -3.13 -0.02 0.00 -0.43 0.00 0.00 46.19 42.61 2k8r s LEU 37 CO 0.00 -0.27 -0.11 -1.10 -0.29 0.00 0.00 176.35 174.58 2k8r s GLN 38 N 1.60 3.41 -0.22 1.98 -0.21 0.49 0.73 119.66 127.44 2k8r s GLN 38 Ca 0.37 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 55.07 2k8r s GLN 38 Cb -0.17 -2.69 0.11 0.00 1.00 0.00 0.00 33.01 31.26 2k8r s GLN 38 CO 0.15 0.25 0.26 -1.17 -2.12 0.00 0.00 175.29 172.65 2k8r s LEU 39 N 0.28 -0.21 0.00 2.90 0.20 -1.26 0.65 118.68 121.24 2k8r s LEU 39 Ca -0.08 -0.22 0.00 0.00 0.69 0.00 0.00 54.13 54.53 2k8r s LEU 39 Cb -0.15 0.52 0.00 0.00 -0.43 0.00 0.00 46.19 46.13 2k8r s LEU 39 CO 0.05 -0.33 0.00 -1.20 -0.29 0.00 0.00 176.35 174.58 2k8r n SER 40 N 5.33 0.00 -0.21 3.68 7.64 -1.25 -4.45 113.62 124.35 2k8r n SER 40 Ca -0.05 0.00 -0.03 0.00 1.01 0.00 0.00 58.87 59.80 2k8r n SER 40 Cb 0.49 0.00 -0.01 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 -0.04 -2.50 -0.43 0.00 -1.26 -4.60 120.51 111.68 2k8r n ALA 41 Ca 0.00 0.04 -0.24 0.00 0.00 0.00 0.00 53.44 53.25 2k8r n ALA 41 Cb 0.00 -0.67 -0.07 0.00 0.00 0.00 0.00 19.45 18.71 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 -2.02 2.27 0.37 0.00 0.41 -1.26 -5.03 118.70 113.43 2k8r s GLU 42 Ca 0.00 -1.66 -0.27 0.00 -0.41 0.00 0.00 54.97 52.63 2k8r s GLU 42 Cb 0.00 -2.07 -0.09 0.00 -1.78 0.00 0.00 34.13 30.19 2k8r s GLU 42 CO 0.00 0.06 1.22 -1.54 -0.49 0.00 0.00 175.26 174.52 2k8r s SER 43 N -3.83 6.64 -0.23 -0.19 1.04 -1.25 -4.85 113.70 111.03 2k8r s SER 43 Ca 0.38 2.48 -0.27 0.00 0.48 0.00 0.00 55.95 59.03 2k8r s SER 43 Cb -0.01 -2.63 -0.12 0.00 0.10 0.00 0.00 66.02 63.37 2k8r s SER 43 CO 0.22 -0.60 0.87 0.55 0.98 0.00 0.00 173.24 175.25 2k8r n VAL 44 N 0.42 0.00 0.00 5.02 3.14 -1.26 0.36 118.33 126.00 2k8r n VAL 44 Ca 0.02 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.40 2k8r n VAL 44 Cb 0.44 -0.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.99 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 2.03 2.47 3.75 7.55 0.00 -1.26 -5.00 105.19 114.74 2k8r n GLY 45 Ca 0.17 -0.55 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 4.85 -0.00 1.61 2.02 0.16 0.25 118.70 127.58 2k8r s GLU 46 Ca 0.00 1.50 -0.02 0.00 0.02 0.00 0.00 54.97 56.47 2k8r s GLU 46 Cb 0.00 -3.28 -0.00 0.00 0.10 0.00 0.00 34.13 30.95 2k8r s GLU 46 CO 0.00 0.50 0.04 0.14 0.02 0.00 0.00 175.26 175.96 2k8r s VAL 47 N -1.14 0.06 -0.17 2.63 -7.23 0.42 -3.94 120.40 111.03 2k8r s VAL 47 Ca 0.41 -0.47 -0.06 0.00 -1.81 0.00 0.00 61.98 60.05 2k8r s VAL 47 Cb -0.26 -0.22 -0.04 0.00 0.56 0.00 0.00 36.38 36.42 2k8r s VAL 47 CO 0.32 -0.26 0.04 -0.47 -0.31 0.00 0.00 175.10 174.42 2k8r s TYR 48 N -0.80 3.21 -0.87 2.82 6.14 -1.26 -0.25 117.35 126.35 2k8r s TYR 48 Ca -0.09 0.03 -0.17 0.00 0.64 0.00 0.00 57.07 57.49 2k8r s TYR 48 Cb -0.05 -2.02 0.17 0.00 0.42 0.00 0.00 41.96 40.47 2k8r s TYR 48 CO -0.00 0.17 0.94 0.42 0.64 0.00 0.00 175.55 177.72 2k8r s ILE 49 N 0.20 5.13 -1.04 3.14 1.01 -1.18 -3.96 121.20 124.50 2k8r s ILE 49 Ca 0.03 -1.95 -0.14 0.00 0.00 0.00 0.00 60.65 58.59 2k8r s ILE 49 Cb -0.13 -4.62 0.20 0.00 0.01 0.00 0.00 42.46 37.92 2k8r s ILE 49 CO 0.01 -1.27 1.15 -0.75 0.00 0.00 0.00 174.94 174.07 2k8r s LYS 50 N 1.55 3.90 -0.23 2.79 2.47 0.21 -3.67 119.74 126.75 2k8r s LYS 50 Ca 0.25 -2.51 -0.29 0.00 -1.56 0.00 0.00 55.97 51.86 2k8r s LYS 50 Cb -0.08 -4.78 0.00 0.00 -1.46 0.00 0.00 37.83 31.51 2k8r s LYS 50 CO -0.08 -1.55 1.14 -1.12 0.16 0.00 0.00 175.35 173.90 2k8r s SER 51 N 2.54 6.98 0.09 1.43 0.01 -1.26 0.19 113.70 123.68 2k8r s SER 51 Ca 0.32 1.40 0.00 0.00 1.31 0.00 0.00 55.95 58.98 2k8r s SER 51 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2k8r s SER 51 CO -0.06 -0.77 0.00 0.41 0.41 0.00 0.00 173.24 173.23 2k8r n THR 52 N 5.52 -0.96 -0.19 1.44 -1.04 0.30 -4.06 114.28 115.29 2k8r n THR 52 Ca 0.13 0.30 -0.02 0.00 -2.04 0.00 0.00 64.05 62.43 2k8r n THR 52 Cb 0.46 -0.46 0.09 0.00 -1.82 0.00 0.00 70.33 68.60 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 0.13 0.46 -3.76 -2.82 4.57 -1.87 -3.45 114.58 107.83 2k8r h GLU 53 Ca 0.00 -0.03 -0.09 0.00 -1.18 0.00 0.00 59.36 58.07 2k8r h GLU 53 Cb 0.10 -0.10 -0.12 0.00 -0.16 0.00 0.00 28.75 28.46 2k8r h GLU 53 CO 0.00 0.31 -0.24 0.95 -1.18 0.00 0.00 179.01 178.85 2k8r s THR 54 N -6.10 0.05 0.00 0.32 -4.23 -1.26 -4.98 115.64 99.43 2k8r s THR 54 Ca -0.13 -1.29 0.00 0.00 -1.18 0.00 0.00 61.69 59.09 2k8r s THR 54 Cb 0.16 -1.85 0.00 0.00 1.34 0.00 0.00 72.50 72.15 2k8r s THR 54 CO 0.74 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 175.21 2k8r n GLY 55 N -0.26 1.92 3.77 3.99 0.00 -1.26 -4.92 105.19 108.43 2k8r n GLY 55 Ca -0.07 -0.04 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 2k8r n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2k8r s GLN 56 N 0.00 3.43 -0.18 1.61 -1.52 -1.26 -4.04 119.66 117.70 2k8r s GLN 56 Ca 0.00 1.67 -0.06 0.00 -1.95 0.00 0.00 55.36 55.01 2k8r s GLN 56 Cb 0.00 -2.10 0.08 0.00 -0.22 0.00 0.00 33.01 30.77 2k8r s GLN 56 CO 0.00 -0.80 0.37 -0.47 -0.25 0.00 0.00 175.29 174.14 2k8r s TYR 57 N -1.70 -0.68 -0.19 0.91 6.14 -1.23 -4.64 117.35 115.96 2k8r s TYR 57 Ca 0.71 1.35 -0.19 0.00 0.64 0.00 0.00 57.07 59.58 2k8r s TYR 57 Cb -0.26 0.21 -0.03 0.00 0.42 0.00 0.00 41.96 42.30 2k8r s TYR 57 CO 0.29 -0.44 0.54 -1.17 0.64 0.00 0.00 175.55 175.42 2k8r s LEU 58 N 2.47 4.15 -0.02 6.97 1.98 -1.24 -0.13 118.68 132.87 2k8r s LEU 58 Ca -0.01 0.72 -0.04 0.00 -2.89 0.00 0.00 54.13 51.91 2k8r s LEU 58 Cb -0.12 -2.75 0.00 0.00 0.66 0.00 0.00 46.19 43.99 2k8r s LEU 58 CO -0.12 -0.19 0.08 0.00 -1.89 0.00 0.00 176.35 174.23 2k8r s ALA 59 N 1.64 -0.19 0.30 5.97 0.00 0.48 -4.49 121.76 125.47 2k8r s ALA 59 Ca 0.25 0.01 -0.25 0.00 0.00 0.00 0.00 51.96 51.97 2k8r s ALA 59 Cb -0.16 -0.03 -0.09 0.00 0.00 0.00 0.00 23.12 22.84 2k8r s ALA 59 CO 0.10 -0.10 0.90 0.00 0.00 0.00 0.00 175.76 176.65 2k8r s MET 60 N -0.57 4.54 0.29 0.00 0.23 -0.93 -1.33 119.30 121.53 2k8r s MET 60 Ca -0.06 1.25 -0.19 0.00 -1.03 0.00 0.00 55.69 55.65 2k8r s MET 60 Cb -0.04 -2.85 -0.09 0.00 -1.53 0.00 0.00 34.83 30.32 2k8r s MET 60 CO 0.00 0.32 0.78 0.34 -2.03 0.00 0.00 175.02 174.43 2k8r s ASP 61 N -1.59 6.99 0.21 -1.18 2.15 0.37 -4.89 116.67 118.73 2k8r s ASP 61 Ca 0.48 1.45 -0.09 0.00 0.43 0.00 0.00 52.55 54.82 2k8r s ASP 61 Cb -0.19 -2.44 0.25 0.00 -0.30 0.00 0.00 42.92 40.25 2k8r s ASP 61 CO 0.24 -0.10 1.80 0.00 -0.17 0.00 0.00 175.17 176.94 2k8r h THR 62 N 2.39 0.93 0.45 1.71 1.03 -1.97 -3.18 112.91 114.27 2k8r h THR 62 Ca -0.48 -0.22 -0.02 0.00 -0.01 0.00 0.00 66.41 65.68 2k8r h THR 62 Cb 1.19 0.24 0.00 0.00 -1.07 0.00 0.00 68.15 68.51 2k8r h THR 62 CO 0.65 0.12 -0.22 -0.78 -0.01 0.00 0.00 175.52 175.28 2k8r h ASP 63 N 0.63 -0.51 0.00 0.00 3.58 -2.02 -3.47 116.42 114.63 2k8r h ASP 63 Ca 0.30 -0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.70 2k8r h ASP 63 Cb 0.23 0.13 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2k8r h ASP 63 CO -0.20 -0.09 0.00 0.61 -2.88 0.00 0.00 179.24 176.67 2k8r n GLY 64 N 0.03 0.00 3.52 -0.78 0.00 -1.20 -4.35 105.19 102.41 2k8r n GLY 64 Ca -0.09 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.68 2k8r n GLY 64 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k8r s LEU 65 N 0.00 2.10 -0.04 0.99 2.01 -1.25 -0.58 118.68 121.91 2k8r s LEU 65 Ca 0.00 -1.56 0.01 0.00 0.01 0.00 0.00 54.13 52.59 2k8r s LEU 65 Cb 0.00 -0.28 0.02 0.00 0.01 0.00 0.00 46.19 45.94 2k8r s LEU 65 CO 0.00 -0.80 -0.04 -0.76 1.01 0.00 0.00 176.35 175.76 2k8r s LEU 66 N -3.59 1.29 0.06 1.79 1.02 -1.26 0.14 118.68 118.12 2k8r s LEU 66 Ca 0.27 -0.12 0.04 0.00 0.02 0.00 0.00 54.13 54.34 2k8r s LEU 66 Cb 0.05 -0.42 -0.03 0.00 0.02 0.00 0.00 46.19 45.81 2k8r s LEU 66 CO 0.14 -0.06 -0.12 -0.72 0.02 0.00 0.00 176.35 175.61 2k8r s TYR 67 N 0.96 1.00 -0.80 0.29 -0.85 -0.44 -4.43 117.35 113.08 2k8r s TYR 67 Ca -0.10 -0.45 0.02 0.00 -0.52 0.00 0.00 57.07 56.01 2k8r s TYR 67 Cb -0.14 -0.57 0.34 0.00 0.38 0.00 0.00 41.96 41.96 2k8r s TYR 67 CO -0.00 0.00 1.48 0.41 -1.52 0.00 0.00 175.55 175.92 2k8r n GLY 68 N 1.45 5.88 3.57 5.49 0.00 -1.25 -0.38 105.19 119.95 2k8r n GLY 68 Ca -0.21 -2.66 -0.34 0.00 0.00 0.00 0.00 46.02 42.81 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 -2.26 4.65 -0.50 1.61 0.01 0.82 -3.54 113.70 114.49 2k8r s SER 69 Ca 0.45 -0.03 -0.26 0.00 1.31 0.00 0.00 55.95 57.42 2k8r s SER 69 Cb 0.27 -1.21 -0.07 0.00 0.21 0.00 0.00 66.02 65.22 2k8r s SER 69 CO -0.17 0.35 2.42 1.67 0.41 0.00 0.00 173.24 177.92 2k8r n GLN 70 N 2.32 1.03 -2.95 12.44 0.00 -1.26 -4.26 117.38 124.69 2k8r n GLN 70 Ca -0.18 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.00 56.73 2k8r n GLN 70 Cb 0.53 -3.45 -0.01 0.00 0.00 0.00 0.00 30.24 27.30 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 12.32 -0.78 -0.21 1.69 2.01 -1.26 -5.02 115.64 124.39 2k8r s THR 71 Ca 0.98 -1.05 -0.38 0.00 0.31 0.00 0.00 61.69 61.55 2k8r s THR 71 Cb -0.17 -0.21 -0.14 0.00 0.01 0.00 0.00 72.50 71.99 2k8r s THR 71 CO 0.26 -0.20 1.79 -0.81 -0.69 0.00 0.00 174.62 174.97 2k8r n PRO 72 N 3.25 1.52 -3.54 4.92 -0.04 -1.26 -4.93 135.00 134.92 2k8r n PRO 72 Ca 0.18 0.56 -0.09 0.00 -0.04 0.00 0.00 63.50 64.11 2k8r n PRO 72 Cb 0.54 -2.30 -0.03 0.00 -0.04 0.00 0.00 33.50 31.67 2k8r n PRO 72 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2k8r s ASN 73 N 3.70 -0.34 0.59 3.54 0.01 -1.26 -5.02 114.94 116.16 2k8r s ASN 73 Ca 0.96 0.14 0.29 0.00 -0.71 0.00 0.00 52.86 53.54 2k8r s ASN 73 Cb -0.93 0.33 1.51 0.00 0.41 0.00 0.00 41.25 42.57 2k8r s ASN 73 CO 0.60 -0.49 1.93 -0.33 -1.51 0.00 0.00 177.10 177.31 2k8r h GLU 74 N 2.20 0.00 0.00 -0.60 5.08 -1.99 -0.71 114.58 118.55 2k8r h GLU 74 Ca -0.19 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 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 0.30 0.00 0.08 0.39 -1.00 0.00 0.00 179.01 178.78 2k8r n GLU 75 N -3.73 0.02 0.00 2.33 -0.58 -1.26 -0.29 120.64 117.13 2k8r n GLU 75 Ca 0.07 0.46 0.14 0.00 -0.42 0.00 0.00 57.16 57.42 2k8r n GLU 75 Cb 0.60 -1.65 0.58 0.00 -0.57 0.00 0.00 31.44 30.40 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 -2.23 4.17 0.37 0.00 2.01 0.60 -3.12 118.68 120.48 2k8r s LEU 77 Ca 0.34 0.27 0.04 0.00 0.01 0.00 0.00 54.13 54.80 2k8r s LEU 77 Cb 0.21 -2.62 -0.06 0.00 0.01 0.00 0.00 46.19 43.72 2k8r s LEU 77 CO 0.41 -0.37 0.05 -0.36 1.01 0.00 0.00 176.35 177.09 2k8r s PHE 78 N 2.35 2.09 -0.21 0.29 0.40 0.66 -1.19 117.98 122.36 2k8r s PHE 78 Ca 0.20 -0.91 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 2k8r s PHE 78 Cb -0.15 -1.43 -0.00 0.00 0.51 0.00 0.00 43.02 41.94 2k8r s PHE 78 CO 0.11 0.11 -0.07 -1.17 0.70 0.00 0.00 175.22 174.90 2k8r s LEU 79 N -3.58 2.75 -0.28 -0.37 1.98 0.44 0.16 118.68 119.77 2k8r s LEU 79 Ca 0.33 -0.44 -0.13 0.00 -2.89 0.00 0.00 54.13 50.99 2k8r s LEU 79 Cb 0.08 -1.69 -0.04 0.00 0.66 0.00 0.00 46.19 45.20 2k8r s LEU 79 CO 0.15 -0.02 0.30 -0.70 -1.89 0.00 0.00 176.35 174.20 2k8r s GLU 80 N 1.44 3.94 -0.45 1.98 2.12 0.14 -1.64 118.70 126.23 2k8r s GLU 80 Ca 0.06 -0.14 0.02 0.00 0.36 0.00 0.00 54.97 55.27 2k8r s GLU 80 Cb -0.14 -3.67 0.12 0.00 0.26 0.00 0.00 34.13 30.70 2k8r s GLU 80 CO -0.05 -0.27 0.19 0.50 -0.54 0.00 0.00 175.26 175.09 2k8r s ARG 81 N 1.95 1.86 -0.21 4.30 3.52 0.18 -4.66 118.95 125.88 2k8r s ARG 81 Ca 0.12 -2.24 -0.13 0.00 -0.13 0.00 0.00 55.73 53.35 2k8r s ARG 81 Cb -0.16 -3.36 -0.05 0.00 -1.56 0.00 0.00 34.95 29.83 2k8r s ARG 81 CO 0.10 -1.05 0.26 -1.17 -0.81 0.00 0.00 175.30 172.64 2k8r s LEU 82 N 0.36 4.16 -0.12 -0.88 2.96 -1.26 0.15 118.68 124.04 2k8r s LEU 82 Ca 0.14 0.32 0.16 0.00 -0.22 0.00 0.00 54.13 54.53 2k8r s LEU 82 Cb -0.22 -2.28 0.63 0.00 0.50 0.00 0.00 46.19 44.81 2k8r s LEU 82 CO -0.04 0.03 1.54 1.21 -1.32 0.00 0.00 176.35 177.77 2k8r n GLU 83 N 4.18 3.57 0.00 1.98 2.13 -0.85 -4.97 120.64 126.68 2k8r n GLU 83 Ca -0.12 -2.78 0.00 0.00 0.66 0.00 0.00 57.16 54.91 2k8r n GLU 83 Cb 0.52 -1.83 0.00 0.00 0.27 0.00 0.00 31.44 30.40 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 0.63 0.00 -0.43 5.31 2.13 -1.26 -4.77 120.64 122.25 2k8r n GLU 84 Ca 0.23 0.00 -0.24 0.00 0.66 0.00 0.00 57.16 57.81 2k8r n GLU 84 Cb 0.85 -0.07 -0.05 0.00 0.27 0.00 0.00 31.44 32.44 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 1.25 1.34 -4.17 4.31 5.15 -1.26 -4.37 115.26 117.52 2k8r n ASN 85 Ca 0.00 -2.31 -0.38 0.00 -0.60 0.00 0.00 54.58 51.30 2k8r n ASN 85 Cb 0.00 -0.66 -0.07 0.00 -0.53 0.00 0.00 39.78 38.52 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 6.61 -1.02 -3.55 1.20 1.44 -1.26 -4.86 115.22 113.79 2k8r n HIS 86 Ca 0.29 0.60 -0.15 0.00 -2.01 0.00 0.00 57.72 56.46 2k8r n HIS 86 Cb 0.22 -1.64 -0.06 0.00 0.12 0.00 0.00 29.99 28.63 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 -2.99 -0.55 0.23 -1.40 -0.85 -1.26 -4.76 117.35 105.77 2k8r s TYR 87 Ca 0.72 0.97 -0.10 0.00 -0.52 0.00 0.00 57.07 58.15 2k8r s TYR 87 Cb -0.42 0.42 -0.01 0.00 0.38 0.00 0.00 41.96 42.32 2k8r s TYR 87 CO 0.90 -0.49 0.39 0.54 -1.52 0.00 0.00 175.55 175.37 2k8r s ASN 88 N -1.05 -0.03 -0.04 -0.18 2.20 -0.68 -2.00 114.94 113.14 2k8r s ASN 88 Ca -0.07 -1.03 0.05 0.00 -0.94 0.00 0.00 52.86 50.87 2k8r s ASN 88 Cb -0.01 0.53 -0.00 0.00 -2.00 0.00 0.00 41.25 39.77 2k8r s ASN 88 CO 0.06 -1.05 -0.18 0.42 -2.94 0.00 0.00 177.10 173.40 2k8r s THR 89 N -4.05 1.51 -0.16 0.54 -4.23 0.40 -3.79 115.64 105.87 2k8r s THR 89 Ca 0.26 -0.76 0.01 0.00 -1.18 0.00 0.00 61.69 60.01 2k8r s THR 89 Cb 0.01 -1.30 0.01 0.00 1.34 0.00 0.00 72.50 72.57 2k8r s THR 89 CO 0.09 0.43 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.11 2k8r s TYR 90 N -0.00 2.76 0.18 3.99 2.02 -1.26 0.47 117.35 125.50 2k8r s TYR 90 Ca -0.04 -1.33 0.02 0.00 -0.37 0.00 0.00 57.07 55.35 2k8r s TYR 90 Cb -0.12 -1.89 -0.05 0.00 -0.40 0.00 0.00 41.96 39.50 2k8r s TYR 90 CO 0.02 -0.64 -0.01 0.96 -1.57 0.00 0.00 175.55 174.32 2k8r s ILE 91 N 1.03 0.75 0.24 2.71 -4.36 -0.65 -3.59 121.20 117.32 2k8r s ILE 91 Ca -0.02 -1.99 -0.30 0.00 -0.26 0.00 0.00 60.65 58.09 2k8r s ILE 91 Cb -0.15 -2.12 -0.09 0.00 1.25 0.00 0.00 42.46 41.35 2k8r s ILE 91 CO -0.05 -0.48 1.18 -0.94 0.24 0.00 0.00 174.94 174.89 2k8r s SER 92 N -3.19 7.10 -0.09 4.36 1.04 -1.26 0.17 113.70 121.83 2k8r s SER 92 Ca 0.24 2.32 -0.12 0.00 0.48 0.00 0.00 55.95 58.86 2k8r s SER 92 Cb 0.06 -2.62 -0.09 0.00 0.10 0.00 0.00 66.02 63.47 2k8r s SER 92 CO 0.04 -0.32 0.42 0.50 0.98 0.00 0.00 173.24 174.86 2k8r h LYS 93 N 4.50 -0.13 -0.21 4.02 3.11 -1.41 -3.38 116.57 123.07 2k8r h LYS 93 Ca -0.46 0.01 -0.11 0.00 -2.81 0.00 0.00 60.65 57.28 2k8r h LYS 93 Cb 1.21 0.03 -0.00 0.00 -1.00 0.00 0.00 32.23 32.47 2k8r h LYS 93 CO 0.71 0.16 -0.29 -0.22 -2.81 0.00 0.00 179.45 177.00 2k8r h LYS 94 N -1.00 0.57 -3.76 1.90 3.64 -1.87 -3.32 116.57 112.73 2k8r h LYS 94 Ca -0.01 -0.33 -0.67 0.00 -1.27 0.00 0.00 60.65 58.36 2k8r h LYS 94 Cb 0.35 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 2k8r h LYS 94 CO 0.02 0.93 3.20 0.72 -2.27 0.00 0.00 179.45 182.05 2k8r n HIS 95 N -4.34 2.93 0.10 1.91 8.25 -1.26 -4.58 115.22 118.23 2k8r n HIS 95 Ca -0.05 -2.81 -0.05 0.00 -0.26 0.00 0.00 57.72 54.54 2k8r n HIS 95 Cb 0.47 -2.39 0.06 0.00 1.12 0.00 0.00 29.99 29.25 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 5.98 0.72 -0.38 -1.41 0.00 -1.74 -3.19 119.26 119.24 2k8r h ALA 96 Ca 0.63 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k8r h ALA 96 Cb 0.52 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 2k8r h ALA 96 CO 1.85 0.86 -0.02 0.93 0.00 0.00 0.00 179.25 182.87 2k8r h GLU 97 N 0.09 0.62 -2.37 0.00 4.39 -1.94 -3.23 114.58 112.13 2k8r h GLU 97 Ca -0.02 -0.15 -0.68 0.00 0.34 0.00 0.00 59.36 58.85 2k8r h GLU 97 Cb 1.31 -0.08 -0.36 0.00 -0.10 0.00 0.00 28.75 29.52 2k8r h GLU 97 CO 0.11 0.65 -0.00 1.63 -1.16 0.00 0.00 179.01 180.24 2k8r n LYS 98 N -4.25 3.74 -2.25 2.33 5.02 -1.20 -4.98 118.16 116.58 2k8r n LYS 98 Ca 0.02 -4.71 -0.33 0.00 -2.02 0.00 0.00 58.31 51.26 2k8r n LYS 98 Cb 0.27 -2.35 -0.04 0.00 -0.02 0.00 0.00 35.03 32.90 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 -2.43 5.66 -0.15 4.39 4.22 -1.22 -4.80 114.94 120.61 2k8r s ASN 99 Ca 0.41 -1.96 -0.06 0.00 -2.14 0.00 0.00 52.86 49.12 2k8r s ASN 99 Cb 0.18 -2.59 -0.04 0.00 1.28 0.00 0.00 41.25 40.09 2k8r s ASN 99 CO -0.05 -2.41 0.04 0.26 -2.04 0.00 0.00 177.10 172.90 2k8r s TRP 100 N 8.65 3.23 0.24 1.54 0.52 -1.26 -5.02 118.94 126.84 2k8r s TRP 100 Ca 0.63 0.09 -0.30 0.00 0.02 0.00 0.00 56.10 56.55 2k8r s TRP 100 Cb 0.01 -1.98 -0.09 0.00 -1.15 0.00 0.00 33.47 30.26 2k8r s TRP 100 CO 0.12 0.25 1.17 -0.06 0.02 0.00 0.00 176.95 178.45 2k8r s PHE 101 N -0.04 3.44 0.00 -1.98 0.08 -1.26 -4.61 117.98 113.61 2k8r s PHE 101 Ca 0.05 1.53 0.00 0.00 0.12 0.00 0.00 56.93 58.64 2k8r s PHE 101 Cb -0.12 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2k8r s PHE 101 CO 0.01 -1.02 0.00 1.33 -0.10 0.00 0.00 175.22 175.45 2k8r n VAL 102 N 1.76 0.00 0.00 -0.44 0.24 -1.24 -4.61 118.33 114.05 2k8r n VAL 102 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 2k8r n VAL 102 Cb 0.44 -1.12 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 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 3.21 3.43 3.69 7.63 0.00 -1.26 -4.64 105.19 117.26 2k8r n GLY 103 Ca 0.00 -0.48 -0.34 0.00 0.00 0.00 0.00 46.02 45.19 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 3.60 -0.12 0.99 2.34 -1.26 0.40 118.68 124.63 2k8r s LEU 104 Ca 0.00 0.11 -0.09 0.00 0.06 0.00 0.00 54.13 54.21 2k8r s LEU 104 Cb 0.00 -1.91 -0.04 0.00 -0.56 0.00 0.00 46.19 43.67 2k8r s LEU 104 CO 0.00 0.34 0.19 -0.75 -1.06 0.00 0.00 176.35 175.07 2k8r s LYS 105 N -1.13 3.72 0.41 1.48 2.47 0.35 -4.94 119.74 122.09 2k8r s LYS 105 Ca 0.16 -0.05 0.27 0.00 -1.56 0.00 0.00 55.97 54.78 2k8r s LYS 105 Cb -0.11 -3.26 1.39 0.00 -1.46 0.00 0.00 37.83 34.39 2k8r s LYS 105 CO 0.05 0.63 1.60 1.57 0.16 0.00 0.00 175.35 179.36 2k8r h LYS 106 N 5.41 0.06 -1.00 4.03 2.10 -1.89 0.80 116.57 126.08 2k8r h LYS 106 Ca -0.51 -0.00 0.29 0.00 -2.00 0.00 0.00 60.65 58.43 2k8r h LYS 106 Cb 1.21 -0.01 -0.04 0.00 -0.90 0.00 0.00 32.23 32.48 2k8r h LYS 106 CO 0.63 0.04 0.75 -0.97 -2.00 0.00 0.00 179.45 177.90 2k8r h ASN 107 N 0.06 0.00 0.00 7.07 -0.73 -1.98 -3.38 115.58 116.62 2k8r h ASN 107 Ca 0.84 0.00 0.00 0.00 1.87 0.00 0.00 56.30 59.01 2k8r h ASN 107 Cb 2.48 0.00 0.00 0.00 0.27 0.00 0.00 38.32 41.07 2k8r h ASN 107 CO -0.55 0.00 0.00 0.61 -0.37 0.00 0.00 177.43 177.12 2k8r n GLY 108 N -1.72 0.90 3.57 1.57 0.00 0.27 -5.04 105.19 104.74 2k8r n GLY 108 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.29 -0.70 -0.15 1.61 0.01 -1.10 -4.90 113.70 107.19 2k8r s SER 109 Ca 0.00 1.10 -0.11 0.00 1.31 0.00 0.00 55.95 58.26 2k8r s SER 109 Cb 0.00 1.04 -0.05 0.00 0.21 0.00 0.00 66.02 67.23 2k8r s SER 109 CO 0.00 -0.40 0.21 0.00 0.41 0.00 0.00 173.24 173.46 2k8r s LYS 111 N -0.14 2.53 0.11 0.00 -0.14 0.16 -4.80 119.74 117.46 2k8r s LYS 111 Ca 0.14 -2.17 0.00 0.00 -1.36 0.00 0.00 55.97 52.58 2k8r s LYS 111 Cb -0.12 -3.82 0.00 0.00 -1.68 0.00 0.00 37.83 32.20 2k8r s LYS 111 CO 0.03 -1.17 0.00 -2.13 -0.76 0.00 0.00 175.35 171.32 2k8r n ARG 112 N 4.16 0.00 0.31 1.68 0.00 -1.18 -4.32 116.66 117.30 2k8r n ARG 112 Ca 0.02 0.00 -0.12 0.00 -0.00 0.00 0.00 57.85 57.75 2k8r n ARG 112 Cb 0.40 -0.26 -0.06 0.00 0.00 0.00 0.00 32.46 32.54 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 -0.85 -0.38 5.14 0.00 -1.04 -3.32 103.07 102.62 2k8r h GLY 113 Ca 0.00 0.31 0.11 0.00 0.00 0.00 0.00 47.33 47.76 2k8r h GLY 113 CO 0.00 -0.31 -0.29 -2.55 0.00 0.00 0.00 176.54 173.39 2k8r h PRO 114 N -1.09 -0.12 -0.30 4.80 0.11 -1.87 -3.43 132.00 130.09 2k8r h PRO 114 Ca -0.08 0.01 0.25 0.00 0.11 0.00 0.00 66.00 66.28 2k8r h PRO 114 Cb 0.62 0.03 -0.25 0.00 0.11 0.00 0.00 31.00 31.51 2k8r h PRO 114 CO 0.14 -0.08 0.41 0.50 -0.21 0.00 0.00 178.00 178.75 2k8r s ARG 115 N -6.06 0.10 -0.14 1.05 3.52 -1.25 -5.15 118.95 111.02 2k8r s ARG 115 Ca -0.14 0.23 -0.02 0.00 -0.13 0.00 0.00 55.73 55.67 2k8r s ARG 115 Cb 0.17 0.14 0.04 0.00 -1.56 0.00 0.00 34.95 33.74 2k8r s ARG 115 CO 0.70 -0.05 0.01 -0.08 -0.81 0.00 0.00 175.30 175.08 2k8r s THR 116 N 2.35 0.50 0.00 4.11 -1.32 -1.25 -4.57 115.64 115.46 2k8r s THR 116 Ca -0.02 -0.25 0.00 0.00 -1.21 0.00 0.00 61.69 60.22 2k8r s THR 116 Cb -0.04 -0.82 0.00 0.00 -1.51 0.00 0.00 72.50 70.13 2k8r s THR 116 CO -0.15 0.03 0.00 1.41 -2.21 0.00 0.00 174.62 173.71 2k8r n HIS 117 N 5.08 0.00 -2.47 9.09 8.25 -1.26 -4.64 115.22 129.27 2k8r n HIS 117 Ca -0.08 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.04 2k8r n HIS 117 Cb 0.49 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.57 2k8r n HIS 117 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 2k8r s TYR 118 N 0.00 2.99 0.04 4.41 2.02 -1.26 -4.67 117.35 120.88 2k8r s TYR 118 Ca 0.00 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.27 2k8r s TYR 118 Cb 0.00 -3.07 0.00 0.00 -0.40 0.00 0.00 41.96 38.49 2k8r s TYR 118 CO 0.00 -0.89 0.00 0.41 -1.57 0.00 0.00 175.55 173.50 2k8r n GLY 119 N -0.33 -3.38 0.34 0.71 0.00 -1.26 -4.16 105.19 97.11 2k8r n GLY 119 Ca 0.09 -0.98 0.30 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 0.25 0.11 -1.11 1.61 4.20 -1.95 0.60 115.11 118.82 2k8r h GLN 120 Ca 0.00 -0.01 0.32 0.00 0.06 0.00 0.00 58.65 59.03 2k8r h GLN 120 Cb 0.00 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 27.71 2k8r h GLN 120 CO 0.00 0.07 0.83 1.57 -0.67 0.00 0.00 178.83 180.64 2k8r h LYS 121 N 0.11 0.00 0.00 1.46 5.09 -1.86 0.48 116.57 121.85 2k8r h LYS 121 Ca 0.81 0.00 -0.07 0.00 0.09 0.00 0.00 60.65 61.48 2k8r h LYS 121 Cb 2.09 0.00 -0.01 0.00 0.10 0.00 0.00 32.23 34.41 2k8r h LYS 121 CO -0.69 0.00 -0.33 0.00 -2.09 0.00 0.00 179.45 176.35 2k8r h ALA 122 N 1.38 1.42 -0.35 0.07 0.00 0.05 -3.34 119.26 118.50 2k8r h ALA 122 Ca 0.53 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.91 2k8r h ALA 122 Cb 2.19 -0.05 -0.33 0.00 0.00 0.00 0.00 17.79 19.60 2k8r h ALA 122 CO -0.01 0.41 -0.88 -0.89 0.00 0.00 0.00 179.25 177.88 2k8r n ILE 123 N -4.09 0.88 -3.19 0.00 -0.00 0.13 -4.67 119.36 108.42 2k8r n ILE 123 Ca -0.02 -2.39 -0.23 0.00 -0.00 0.00 0.00 62.75 60.11 2k8r n ILE 123 Cb 0.37 1.17 -0.05 0.00 -0.00 0.00 0.00 39.64 41.13 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 -0.80 1.33 -4.50 1.39 7.94 1.00 -4.72 117.00 118.63 2k8r n LEU 124 Ca 0.00 -5.01 -0.34 0.00 -1.11 0.00 0.00 56.01 49.55 2k8r n LEU 124 Cb 0.82 0.38 -0.12 0.00 0.53 0.00 0.00 43.42 45.03 2k8r n LEU 124 CO 0.02 2.18 -0.34 -0.36 -1.11 0.00 0.00 177.39 177.78 2k8r s PHE 125 N -2.05 3.05 -0.45 1.96 0.08 -1.25 -2.97 117.98 116.35 2k8r s PHE 125 Ca 0.39 -0.29 0.02 0.00 0.12 0.00 0.00 56.93 57.17 2k8r s PHE 125 Cb 0.25 -1.99 0.12 0.00 -0.57 0.00 0.00 43.02 40.83 2k8r s PHE 125 CO -0.09 -0.05 0.21 -1.17 -0.10 0.00 0.00 175.22 174.02 2k8r s LEU 126 N 0.47 4.79 0.38 -0.37 2.96 0.43 -1.69 118.68 125.64 2k8r s LEU 126 Ca -0.02 -2.52 0.03 0.00 -0.22 0.00 0.00 54.13 51.39 2k8r s LEU 126 Cb -0.14 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 44.83 2k8r s LEU 126 CO 0.02 -0.36 0.56 -2.16 -1.32 0.00 0.00 176.35 173.10 2k8r s PRO 127 N 0.41 3.16 0.29 0.98 0.04 -1.26 -0.72 135.00 137.91 2k8r s PRO 127 Ca 0.13 -0.67 -0.29 0.00 0.04 0.00 0.00 61.00 60.21 2k8r s PRO 127 Cb -0.22 -2.69 -0.10 0.00 0.04 0.00 0.00 34.50 31.53 2k8r s PRO 127 CO -0.04 -0.05 1.38 -1.17 0.04 0.00 0.00 177.00 177.16 2k8r s LEU 128 N -4.35 4.40 0.22 -3.56 2.96 -0.91 -4.87 118.68 112.57 2k8r s LEU 128 Ca 0.45 2.70 0.13 0.00 -0.22 0.00 0.00 54.13 57.18 2k8r s LEU 128 Cb -0.10 -3.64 0.70 0.00 0.50 0.00 0.00 46.19 43.66 2k8r s LEU 128 CO 0.35 -0.63 1.36 -2.65 -1.32 0.00 0.00 176.35 173.45 2k8r n PRO 129 N 1.49 0.08 -1.87 0.98 -0.02 -1.26 -4.54 135.00 129.86 2k8r n PRO 129 Ca 0.03 0.56 -0.35 0.00 -2.02 0.00 0.00 63.50 61.72 2k8r n PRO 129 Cb 0.41 -1.86 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 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 3.24 0.22 -1.45 -7.23 -1.26 -4.89 120.40 105.74 2k8r s VAL 130 Ca -0.01 0.07 -0.07 0.00 -1.81 0.00 0.00 61.98 60.16 2k8r s VAL 130 Cb 0.04 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.34 2k8r s VAL 130 CO 0.12 -0.60 0.31 -0.44 -0.31 0.00 0.00 175.10 174.18 2k8r s SER 131 N 9.49 0.03 -0.52 4.85 0.01 -1.26 -4.81 113.70 121.49 2k8r s SER 131 Ca 0.78 -1.15 -0.19 0.00 1.31 0.00 0.00 55.95 56.70 2k8r s SER 131 Cb -0.13 0.48 0.07 0.00 0.21 0.00 0.00 66.02 66.65 2k8r s SER 131 CO 0.19 -0.99 0.62 -0.44 0.41 0.00 0.00 173.24 173.03 2k8r s SER 132 N -3.09 6.21 0.00 2.44 0.01 -1.26 -4.97 113.70 113.04 2k8r s SER 132 Ca 0.30 -1.08 0.20 0.00 1.31 0.00 0.00 55.95 56.68 2k8r s SER 132 Cb 0.03 -2.28 1.17 0.00 0.21 0.00 0.00 66.02 65.15 2k8r s SER 132 CO 0.10 -0.91 1.56 -0.67 0.41 0.00 0.00 173.24 173.73