#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 2.94 0.10 -3.48 -2.85 -1.26 -4.22 119.74 110.97 2k8r s LYS 2 Ca 0.00 -0.46 -0.02 0.00 -1.00 0.00 0.00 55.97 54.49 2k8r s LYS 2 Cb 0.00 -5.03 -0.04 0.00 -2.06 0.00 0.00 37.83 30.71 2k8r s LYS 2 CO 0.00 -2.85 0.05 0.15 0.10 0.00 0.00 175.35 172.80 2k8r s LYS 3 N 6.27 0.81 -0.30 1.78 1.02 -1.26 -5.10 119.74 122.96 2k8r s LYS 3 Ca 0.60 -1.31 -0.33 0.00 0.02 0.00 0.00 55.97 54.95 2k8r s LYS 3 Cb -0.05 0.24 -0.09 0.00 -0.52 0.00 0.00 37.83 37.41 2k8r s LYS 3 CO -0.00 -0.21 2.19 -2.30 -0.92 0.00 0.00 175.35 174.10 2k8r n PRO 4 N -0.02 1.38 -4.39 -1.68 -0.02 -1.26 -4.51 135.00 124.50 2k8r n PRO 4 Ca -0.10 0.38 -0.28 0.00 -2.02 0.00 0.00 63.50 61.49 2k8r n PRO 4 Cb 0.62 -2.70 -0.12 0.00 -0.02 0.00 0.00 33.50 31.28 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 6.16 1.55 0.06 -0.52 2.20 0.43 -4.91 119.74 124.71 2k8r s LYS 5 Ca 1.06 -1.40 0.05 0.00 -0.36 0.00 0.00 55.97 55.32 2k8r s LYS 5 Cb -0.70 -1.92 -0.03 0.00 -1.51 0.00 0.00 37.83 33.68 2k8r s LYS 5 CO 0.45 0.43 -0.13 -0.48 -0.36 0.00 0.00 175.35 175.26 2k8r s LEU 6 N -2.40 2.26 -0.90 5.43 2.34 -1.22 -3.32 118.68 120.88 2k8r s LEU 6 Ca 0.18 -0.58 -0.07 0.00 0.06 0.00 0.00 54.13 53.72 2k8r s LEU 6 Cb -0.09 -0.47 0.23 0.00 -0.56 0.00 0.00 46.19 45.30 2k8r s LEU 6 CO 0.09 -0.08 0.82 -0.22 -1.06 0.00 0.00 176.35 175.90 2k8r s LEU 7 N -1.62 6.03 -0.16 1.48 2.96 -1.26 -1.82 118.68 124.29 2k8r s LEU 7 Ca -0.03 -3.29 -0.24 0.00 -0.22 0.00 0.00 54.13 50.35 2k8r s LEU 7 Cb -0.10 -2.06 -0.02 0.00 0.50 0.00 0.00 46.19 44.51 2k8r s LEU 7 CO 0.02 -0.34 0.78 -0.47 -1.32 0.00 0.00 176.35 175.01 2k8r s TYR 8 N -0.75 3.43 -0.16 5.38 5.04 -1.13 -4.47 117.35 124.69 2k8r s TYR 8 Ca 0.24 1.19 -0.05 0.00 -2.44 0.00 0.00 57.07 56.01 2k8r s TYR 8 Cb -0.11 -2.95 -0.03 0.00 0.35 0.00 0.00 41.96 39.22 2k8r s TYR 8 CO -0.09 -0.19 0.01 0.00 -1.34 0.00 0.00 175.55 173.94 2k8r s SER 10 N 0.24 6.41 -0.29 0.00 0.01 -0.98 -4.62 113.70 114.47 2k8r s SER 10 Ca 0.00 -2.03 0.20 0.00 1.31 0.00 0.00 55.95 55.43 2k8r s SER 10 Cb -0.13 -2.58 0.48 0.00 0.21 0.00 0.00 66.02 64.00 2k8r s SER 10 CO 0.02 -1.61 1.07 -3.20 0.41 0.00 0.00 173.24 169.93 2k8r n ASN 11 N 9.68 1.27 -3.17 2.44 4.05 -1.26 -4.46 115.26 123.81 2k8r n ASN 11 Ca 0.45 -2.34 -0.04 0.00 0.45 0.00 0.00 54.58 53.09 2k8r n ASN 11 Cb 0.47 -0.40 0.00 0.00 1.23 0.00 0.00 39.78 41.08 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 -0.40 -1.25 0.00 8.20 0.00 -1.26 -4.86 105.19 105.62 2k8r n GLY 12 Ca 0.07 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.74 -0.57 3.26 -0.02 0.00 -1.26 -5.05 105.19 99.81 2k8r n GLY 13 Ca -0.05 -1.27 -0.31 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.94 2.30 -0.06 1.61 3.76 -1.26 -4.93 115.29 113.76 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 -1.51 0.02 0.00 1.11 0.00 0.00 32.58 32.21 2k8r s HIS 14 CO 0.00 -0.17 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.63 2k8r s PHE 15 N -0.24 0.85 0.00 1.40 0.40 -1.13 0.61 117.98 119.86 2k8r s PHE 15 Ca -0.00 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 56.05 2k8r s PHE 15 Cb -0.12 -0.80 0.00 0.00 0.51 0.00 0.00 43.02 42.61 2k8r s PHE 15 CO 0.02 -0.28 0.00 1.47 0.70 0.00 0.00 175.22 177.13 2k8r n LEU 16 N 4.52 0.00 -3.89 -0.37 -0.00 -1.24 -4.03 117.00 111.99 2k8r n LEU 16 Ca -0.17 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.73 2k8r n LEU 16 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.81 2k8r n LEU 16 CO 0.18 0.00 -0.28 -0.60 -0.00 0.00 0.00 177.39 176.70 2k8r s ARG 17 N 0.00 0.24 -0.04 1.47 3.52 -1.18 -3.49 118.95 119.47 2k8r s ARG 17 Ca 0.00 -0.20 -0.02 0.00 -0.13 0.00 0.00 55.73 55.38 2k8r s ARG 17 Cb 0.00 0.10 0.03 0.00 -1.56 0.00 0.00 34.95 33.52 2k8r s ARG 17 CO 0.00 -0.05 0.09 -1.50 -0.81 0.00 0.00 175.30 173.03 2k8r s ILE 18 N -0.69 -0.04 -0.18 4.11 1.10 -1.26 -1.77 121.20 122.47 2k8r s ILE 18 Ca -0.08 0.15 -0.13 0.00 -0.51 0.00 0.00 60.65 60.09 2k8r s ILE 18 Cb -0.05 -0.15 -0.05 0.00 0.15 0.00 0.00 42.46 42.37 2k8r s ILE 18 CO 0.00 0.06 0.25 -0.76 -2.11 0.00 0.00 174.94 172.38 2k8r s LEU 19 N 0.87 4.23 0.43 8.50 2.01 0.41 -4.85 118.68 130.27 2k8r s LEU 19 Ca -0.07 0.42 0.27 0.00 0.01 0.00 0.00 54.13 54.76 2k8r s LEU 19 Cb -0.09 -2.29 1.33 0.00 0.01 0.00 0.00 46.19 45.14 2k8r s LEU 19 CO -0.03 0.12 1.69 1.55 1.01 0.00 0.00 176.35 180.68 2k8r h PRO 20 N 6.72 0.18 -0.35 1.29 0.13 -1.86 0.59 132.00 138.71 2k8r h PRO 20 Ca -0.41 -0.01 0.10 0.00 -0.87 0.00 0.00 66.00 64.81 2k8r h PRO 20 Cb 1.16 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 2k8r h PRO 20 CO 0.76 0.12 0.44 -0.44 -0.23 0.00 0.00 178.00 178.65 2k8r h ASP 21 N 0.19 0.00 0.00 1.44 5.19 -1.94 -3.37 116.42 117.92 2k8r h ASP 21 Ca 0.73 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 57.14 2k8r h ASP 21 Cb 2.20 0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.71 2k8r h ASP 21 CO -0.34 0.00 0.00 0.61 -3.12 0.00 0.00 179.24 176.39 2k8r n GLY 22 N -1.45 0.93 2.96 2.75 0.00 0.20 -4.91 105.19 105.67 2k8r n GLY 22 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 2k8r n GLY 22 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k8r s THR 23 N -1.42 0.01 -0.01 2.61 2.01 -0.87 -4.40 115.64 113.55 2k8r s THR 23 Ca 0.00 -0.05 0.06 0.00 0.31 0.00 0.00 61.69 62.01 2k8r s THR 23 Cb 0.00 -0.13 -0.03 0.00 0.01 0.00 0.00 72.50 72.35 2k8r s THR 23 CO 0.00 -0.03 -0.19 0.54 -0.69 0.00 0.00 174.62 174.25 2k8r s VAL 24 N -0.06 2.66 0.17 3.82 0.11 -1.26 0.15 120.40 125.99 2k8r s VAL 24 Ca -0.01 -0.98 -0.01 0.00 -2.93 0.00 0.00 61.98 58.05 2k8r s VAL 24 Cb -0.01 -2.03 0.00 0.00 -1.53 0.00 0.00 36.38 32.81 2k8r s VAL 24 CO 0.00 0.52 0.23 -0.90 -3.33 0.00 0.00 175.10 171.62 2k8r n ASP 25 N 2.14 -0.66 -4.85 3.54 5.75 -0.73 -3.81 116.55 117.93 2k8r n ASP 25 Ca -0.17 -1.88 -0.32 0.00 -0.01 0.00 0.00 54.79 52.42 2k8r n ASP 25 Cb 0.52 1.22 -0.05 0.00 -1.03 0.00 0.00 41.12 41.78 2k8r n ASP 25 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2k8r s GLY 26 N -2.01 2.17 -0.18 6.12 0.00 -1.25 -3.11 107.32 109.06 2k8r s GLY 26 Ca 0.13 0.08 -0.31 0.00 0.00 0.00 0.00 44.72 44.63 2k8r s GLY 26 CO 0.10 0.31 1.11 -1.59 0.00 0.00 0.00 173.10 173.03 2k8r s THR 27 N -2.28 0.00 -0.22 0.90 2.01 0.20 -4.78 115.64 111.46 2k8r s THR 27 Ca 0.56 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.49 2k8r s THR 27 Cb -0.10 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.38 2k8r s THR 27 CO 0.24 0.00 0.05 0.00 -0.69 0.00 0.00 174.62 174.21 2k8r s ARG 28 N -1.46 3.69 0.13 4.92 1.70 -1.26 -2.86 118.95 123.81 2k8r s ARG 28 Ca 0.03 -0.47 -0.01 0.00 -0.47 0.00 0.00 55.73 54.81 2k8r s ARG 28 Cb -0.01 -3.24 0.01 0.00 -0.57 0.00 0.00 34.95 31.14 2k8r s ARG 28 CO -0.03 -0.06 0.20 -3.47 -1.08 0.00 0.00 175.30 170.86 2k8r n ASP 29 N 4.52 -0.55 -3.72 -2.89 -0.08 -1.26 -5.09 116.55 107.48 2k8r n ASP 29 Ca -0.16 -1.69 -0.36 0.00 -1.51 0.00 0.00 54.79 51.06 2k8r n ASP 29 Cb 0.52 1.01 -0.02 0.00 2.34 0.00 0.00 41.12 44.96 2k8r n ASP 29 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2k8r n ARG 30 N -0.21 3.81 0.00 -0.67 3.00 -1.26 -4.77 116.66 116.56 2k8r n ARG 30 Ca -0.00 -4.62 0.00 0.00 -0.00 0.00 0.00 57.85 53.22 2k8r n ARG 30 Cb 0.22 -2.41 0.00 0.00 0.00 0.00 0.00 32.46 30.27 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 0.97 0.00 -4.61 6.15 7.64 -1.26 -4.96 113.62 117.55 2k8r n SER 31 Ca 0.29 0.00 -0.36 0.00 1.01 0.00 0.00 58.87 59.81 2k8r n SER 31 Cb 0.36 -0.45 -0.10 0.00 -1.01 0.00 0.00 64.21 63.01 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 -3.36 5.76 0.00 6.43 1.01 -1.26 -3.38 116.67 121.87 2k8r s ASP 32 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 52.55 53.30 2k8r s ASP 32 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2k8r s ASP 32 CO 0.00 0.09 0.00 1.67 0.21 0.00 0.00 175.17 177.14 2k8r n GLN 33 N 4.14 0.00 -0.30 8.23 7.27 -1.26 -4.69 117.38 130.77 2k8r n GLN 33 Ca -0.16 0.00 0.22 0.00 0.07 0.00 0.00 57.00 57.13 2k8r n GLN 33 Cb 0.52 0.00 0.52 0.00 2.41 0.00 0.00 30.24 33.69 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 0.60 0.00 3.69 6.17 -1.89 -3.40 115.15 120.32 2k8r h HIS 34 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 2k8r h HIS 34 Cb 0.00 -0.18 0.00 0.00 2.52 0.00 0.00 27.41 29.75 2k8r h HIS 34 CO 0.00 0.09 0.00 -0.89 0.71 0.00 0.00 177.93 177.84 2k8r n ILE 35 N -4.57 0.00 -3.30 6.26 5.41 -1.26 -5.04 119.36 116.86 2k8r n ILE 35 Ca 0.24 0.00 0.03 0.00 1.00 0.00 0.00 62.75 64.01 2k8r n ILE 35 Cb 0.84 -0.05 -0.04 0.00 -0.71 0.00 0.00 39.64 39.68 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 -1.76 0.21 -0.14 0.38 0.74 -1.26 -4.82 119.66 113.01 2k8r s GLN 36 Ca 0.00 0.50 -0.06 0.00 0.05 0.00 0.00 55.36 55.85 2k8r s GLN 36 Cb 0.00 0.30 -0.04 0.00 1.10 0.00 0.00 33.01 34.37 2k8r s GLN 36 CO 0.00 -0.10 0.08 -1.17 -0.55 0.00 0.00 175.29 173.55 2k8r s LEU 37 N 2.44 4.01 0.05 3.68 0.20 -1.21 0.12 118.68 127.97 2k8r s LEU 37 Ca -0.01 0.25 0.08 0.00 0.69 0.00 0.00 54.13 55.14 2k8r s LEU 37 Cb -0.06 -1.98 -0.03 0.00 -0.43 0.00 0.00 46.19 43.70 2k8r s LEU 37 CO -0.16 0.31 -0.23 -1.10 -0.29 0.00 0.00 176.35 174.88 2k8r s GLN 38 N -0.44 1.51 -0.29 1.98 -0.21 0.34 0.16 119.66 122.71 2k8r s GLN 38 Ca 0.10 -1.01 0.00 0.00 0.02 0.00 0.00 55.36 54.47 2k8r s GLN 38 Cb -0.12 -1.65 0.14 0.00 1.00 0.00 0.00 33.01 32.38 2k8r s GLN 38 CO 0.02 0.42 0.32 -1.17 -2.12 0.00 0.00 175.29 172.76 2k8r s LEU 39 N -1.24 -0.35 0.00 2.90 0.20 -1.26 0.15 118.68 119.09 2k8r s LEU 39 Ca 0.09 -0.68 0.00 0.00 0.69 0.00 0.00 54.13 54.23 2k8r s LEU 39 Cb -0.09 0.63 0.00 0.00 -0.43 0.00 0.00 46.19 46.29 2k8r s LEU 39 CO 0.02 -0.38 0.00 -1.20 -0.29 0.00 0.00 176.35 174.50 2k8r n SER 40 N 5.32 0.00 -2.44 3.68 7.64 -0.90 -4.11 113.62 122.80 2k8r n SER 40 Ca -0.02 -0.88 -0.04 0.00 1.01 0.00 0.00 58.87 58.94 2k8r n SER 40 Cb 0.47 0.00 0.02 0.00 -1.01 0.00 0.00 64.21 63.69 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 -3.00 -1.87 -3.72 -0.43 0.00 -1.26 -3.33 120.51 106.89 2k8r n ALA 41 Ca 0.00 0.04 -0.05 0.00 0.00 0.00 0.00 53.44 53.43 2k8r n ALA 41 Cb 0.00 -2.11 -0.02 0.00 0.00 0.00 0.00 19.45 17.33 2k8r n ALA 41 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k8r s GLU 42 N -3.37 1.25 0.56 0.00 0.41 -1.26 -4.58 118.70 111.71 2k8r s GLU 42 Ca 0.12 -0.66 -0.20 0.00 -0.41 0.00 0.00 54.97 53.82 2k8r s GLU 42 Cb -0.02 0.45 -0.04 0.00 -1.78 0.00 0.00 34.13 32.74 2k8r s GLU 42 CO 0.43 -0.57 1.25 -1.12 -0.49 0.00 0.00 175.26 174.76 2k8r s SER 43 N -2.87 5.32 -0.49 -0.19 0.01 -1.26 -4.79 113.70 109.43 2k8r s SER 43 Ca 0.11 2.51 -0.45 0.00 1.31 0.00 0.00 55.95 59.43 2k8r s SER 43 Cb -0.02 -2.61 -0.19 0.00 0.21 0.00 0.00 66.02 63.41 2k8r s SER 43 CO 0.01 -1.51 1.96 0.55 0.41 0.00 0.00 173.24 174.66 2k8r n VAL 44 N -1.27 0.01 0.00 3.43 3.14 -1.26 0.61 118.33 122.99 2k8r n VAL 44 Ca 0.12 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.49 2k8r n VAL 44 Cb 0.48 -0.54 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 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 6.30 3.12 3.78 7.55 0.00 -1.26 -5.05 105.19 119.62 2k8r n GLY 45 Ca 0.46 -0.93 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 4.42 -0.05 1.61 2.02 0.20 -0.77 118.70 126.12 2k8r s GLU 46 Ca 0.00 1.45 -0.04 0.00 0.02 0.00 0.00 54.97 56.40 2k8r s GLU 46 Cb 0.00 -2.73 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2k8r s GLU 46 CO 0.00 0.10 0.12 0.14 0.02 0.00 0.00 175.26 175.64 2k8r s VAL 47 N -1.59 -0.01 -0.23 2.63 -7.23 0.24 -4.19 120.40 110.01 2k8r s VAL 47 Ca 0.53 0.05 -0.08 0.00 -1.81 0.00 0.00 61.98 60.67 2k8r s VAL 47 Cb -0.21 -0.19 -0.03 0.00 0.56 0.00 0.00 36.38 36.51 2k8r s VAL 47 CO 0.27 0.02 0.08 -0.47 -0.31 0.00 0.00 175.10 174.69 2k8r s TYR 48 N 0.34 3.15 -0.00 2.82 5.04 -1.21 -1.21 117.35 126.27 2k8r s TYR 48 Ca -0.02 -0.20 -0.18 0.00 -2.44 0.00 0.00 57.07 54.22 2k8r s TYR 48 Cb -0.04 -2.20 -0.06 0.00 0.35 0.00 0.00 41.96 40.02 2k8r s TYR 48 CO -0.01 -0.17 0.52 0.42 -1.34 0.00 0.00 175.55 174.97 2k8r s ILE 49 N 1.22 4.94 -0.30 3.14 1.01 -1.25 -2.12 121.20 127.84 2k8r s ILE 49 Ca 0.05 1.09 -0.02 0.00 0.00 0.00 0.00 60.65 61.77 2k8r s ILE 49 Cb -0.14 -3.85 0.10 0.00 0.01 0.00 0.00 42.46 38.58 2k8r s ILE 49 CO 0.04 0.48 0.11 -0.75 0.00 0.00 0.00 174.94 174.81 2k8r s LYS 50 N -0.51 0.55 -0.46 2.79 2.47 0.41 -4.65 119.74 120.34 2k8r s LYS 50 Ca 0.28 -0.90 -0.24 0.00 -1.56 0.00 0.00 55.97 53.55 2k8r s LYS 50 Cb -0.18 -1.73 0.03 0.00 -1.46 0.00 0.00 37.83 34.49 2k8r s LYS 50 CO 0.15 -0.99 0.86 -1.54 0.16 0.00 0.00 175.35 173.99 2k8r s SER 51 N 1.77 6.45 0.00 1.43 1.04 -1.26 0.13 113.70 123.25 2k8r s SER 51 Ca 0.09 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2k8r s SER 51 Cb -0.17 -2.42 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2k8r s SER 51 CO -0.29 -1.00 0.00 0.41 0.98 0.00 0.00 173.24 173.34 2k8r n THR 52 N 6.28 -1.00 -0.28 2.02 -1.04 0.31 -3.82 114.28 116.75 2k8r n THR 52 Ca 0.04 0.00 0.09 0.00 -2.04 0.00 0.00 64.05 62.15 2k8r n THR 52 Cb 0.48 -0.51 0.23 0.00 -1.82 0.00 0.00 70.33 68.72 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 0.00 0.19 -3.10 -2.82 4.57 -1.87 -3.43 114.58 108.13 2k8r h GLU 53 Ca 0.00 -0.01 -0.11 0.00 -1.18 0.00 0.00 59.36 58.06 2k8r h GLU 53 Cb 0.00 -0.04 -0.19 0.00 -0.16 0.00 0.00 28.75 28.36 2k8r h GLU 53 CO 0.00 0.13 -0.25 0.95 -1.18 0.00 0.00 179.01 178.66 2k8r s THR 54 N -6.00 0.06 0.00 0.32 -4.23 -1.26 -4.97 115.64 99.56 2k8r s THR 54 Ca -0.13 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2k8r s THR 54 Cb 0.24 -0.75 0.00 0.00 1.34 0.00 0.00 72.50 73.33 2k8r s THR 54 CO 0.76 -0.29 0.00 0.61 -0.54 0.00 0.00 174.62 175.16 2k8r n GLY 55 N 0.99 2.82 3.91 3.99 0.00 -1.26 -5.02 105.19 110.62 2k8r n GLY 55 Ca -0.20 -0.71 -0.27 0.00 0.00 0.00 0.00 46.02 44.84 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 3.15 -0.30 1.61 -1.52 -1.25 -4.34 119.66 117.01 2k8r s GLN 56 Ca 0.00 0.06 -0.05 0.00 -1.95 0.00 0.00 55.36 53.42 2k8r s GLN 56 Cb 0.00 -2.31 0.17 0.00 -0.22 0.00 0.00 33.01 30.65 2k8r s GLN 56 CO 0.00 -0.51 0.67 -0.47 -0.25 0.00 0.00 175.29 174.72 2k8r s TYR 57 N -2.89 -1.41 -0.12 0.91 5.04 -1.25 -4.60 117.35 113.02 2k8r s TYR 57 Ca 0.51 1.76 -0.28 0.00 -2.44 0.00 0.00 57.07 56.62 2k8r s TYR 57 Cb -0.10 0.59 -0.01 0.00 0.35 0.00 0.00 41.96 42.79 2k8r s TYR 57 CO 0.45 -0.75 0.96 -1.17 -1.34 0.00 0.00 175.55 173.70 2k8r s LEU 58 N 2.86 4.23 0.02 6.97 1.98 -1.26 0.11 118.68 133.59 2k8r s LEU 58 Ca 0.11 1.45 -0.02 0.00 -2.89 0.00 0.00 54.13 52.78 2k8r s LEU 58 Cb -0.13 -3.48 -0.02 0.00 0.66 0.00 0.00 46.19 43.22 2k8r s LEU 58 CO -0.20 -0.43 0.01 0.00 -1.89 0.00 0.00 176.35 173.85 2k8r s ALA 59 N 2.02 0.07 -0.12 5.97 0.00 0.32 -4.67 121.76 125.35 2k8r s ALA 59 Ca 0.46 -0.58 -0.04 0.00 0.00 0.00 0.00 51.96 51.80 2k8r s ALA 59 Cb -0.18 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.08 2k8r s ALA 59 CO 0.17 -0.21 0.04 0.00 0.00 0.00 0.00 175.76 175.75 2k8r s MET 60 N -1.87 3.36 0.28 0.00 0.23 -1.24 0.58 119.30 120.63 2k8r s MET 60 Ca -0.12 -0.35 -0.22 0.00 -1.03 0.00 0.00 55.69 53.97 2k8r s MET 60 Cb -0.06 -2.97 -0.09 0.00 -1.53 0.00 0.00 34.83 30.18 2k8r s MET 60 CO -0.02 0.58 0.82 0.34 -2.03 0.00 0.00 175.02 174.71 2k8r s ASP 61 N -0.51 7.15 0.32 -1.18 2.15 0.54 -4.89 116.67 120.25 2k8r s ASP 61 Ca 0.10 1.59 0.08 0.00 0.43 0.00 0.00 52.55 54.75 2k8r s ASP 61 Cb -0.12 -2.49 0.82 0.00 -0.30 0.00 0.00 42.92 40.83 2k8r s ASP 61 CO 0.02 -0.03 1.76 0.00 -0.17 0.00 0.00 175.17 176.75 2k8r h THR 62 N 2.62 0.64 -0.36 1.71 1.03 -1.99 0.66 112.91 117.22 2k8r h THR 62 Ca -0.47 -0.23 -0.03 0.00 -0.01 0.00 0.00 66.41 65.66 2k8r h THR 62 Cb 1.19 -0.10 -0.02 0.00 -1.07 0.00 0.00 68.15 68.15 2k8r h THR 62 CO 0.65 0.12 0.09 -0.78 -0.01 0.00 0.00 175.52 175.59 2k8r h ASP 63 N 0.68 0.47 0.00 0.00 3.58 -2.02 -3.46 116.42 115.67 2k8r h ASP 63 Ca 0.60 -0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.99 2k8r h ASP 63 Cb 1.05 -0.12 0.00 0.00 1.72 0.00 0.00 39.33 41.98 2k8r h ASP 63 CO -0.41 0.48 0.00 0.61 -2.88 0.00 0.00 179.24 177.04 2k8r n GLY 64 N -1.09 0.80 2.94 -0.78 0.00 0.22 -3.91 105.19 103.37 2k8r n GLY 64 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2k8r n GLY 64 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2k8r s LEU 65 N 0.00 1.70 -0.16 0.99 1.98 -1.20 -0.98 118.68 121.01 2k8r s LEU 65 Ca 0.00 -0.12 -0.12 0.00 -2.89 0.00 0.00 54.13 50.99 2k8r s LEU 65 Cb 0.00 -0.40 -0.05 0.00 0.66 0.00 0.00 46.19 46.41 2k8r s LEU 65 CO 0.00 0.02 0.24 -0.76 -1.89 0.00 0.00 176.35 173.96 2k8r s LEU 66 N 0.32 4.26 0.05 -0.68 1.02 -1.26 0.20 118.68 122.59 2k8r s LEU 66 Ca -0.04 0.45 -0.00 0.00 0.02 0.00 0.00 54.13 54.55 2k8r s LEU 66 Cb -0.08 -2.28 -0.04 0.00 0.02 0.00 0.00 46.19 43.81 2k8r s LEU 66 CO -0.00 0.15 -0.04 -0.72 0.02 0.00 0.00 176.35 175.77 2k8r s TYR 67 N 0.26 0.55 -0.51 0.29 -0.85 0.20 -4.47 117.35 112.81 2k8r s TYR 67 Ca 0.14 -0.99 -0.01 0.00 -0.52 0.00 0.00 57.07 55.70 2k8r s TYR 67 Cb -0.13 -0.39 0.13 0.00 0.38 0.00 0.00 41.96 41.96 2k8r s TYR 67 CO 0.03 -0.33 0.30 0.20 -1.52 0.00 0.00 175.55 174.23 2k8r s GLY 68 N -2.78 2.29 -0.02 5.49 0.00 -1.26 0.12 107.32 111.16 2k8r s GLY 68 Ca 0.05 -2.99 -0.02 0.00 0.00 0.00 0.00 44.72 41.76 2k8r s GLY 68 CO -0.08 1.05 0.06 -0.56 0.00 0.00 0.00 173.10 173.56 2k8r s SER 69 N 0.82 -0.06 -0.80 1.64 0.01 0.29 -3.79 113.70 111.81 2k8r s SER 69 Ca 0.14 0.12 -0.26 0.00 1.31 0.00 0.00 55.95 57.26 2k8r s SER 69 Cb -0.22 0.12 -0.11 0.00 0.21 0.00 0.00 66.02 66.02 2k8r s SER 69 CO -0.03 -0.02 2.28 -1.58 0.41 0.00 0.00 173.24 174.29 2k8r s GLN 70 N 0.04 1.89 -0.41 12.44 -0.44 -1.26 -4.24 119.66 127.68 2k8r s GLN 70 Ca -0.00 0.33 0.05 0.00 -2.50 0.00 0.00 55.36 53.24 2k8r s GLN 70 Cb -0.01 -4.84 0.17 0.00 -1.64 0.00 0.00 33.01 26.69 2k8r s GLN 70 CO 0.00 -4.09 0.50 0.99 0.50 0.00 0.00 175.29 173.19 2k8r s THR 71 N 13.36 -0.56 -0.14 -0.34 2.01 -1.26 -5.05 115.64 123.66 2k8r s THR 71 Ca 0.86 -0.86 -0.31 0.00 0.31 0.00 0.00 61.69 61.70 2k8r s THR 71 Cb -0.11 -0.43 -0.09 0.00 0.01 0.00 0.00 72.50 71.88 2k8r s THR 71 CO 0.07 -0.39 2.08 -0.81 -0.69 0.00 0.00 174.62 174.87 2k8r n PRO 72 N 3.97 2.11 -3.61 4.92 -0.04 -1.26 -4.94 135.00 136.14 2k8r n PRO 72 Ca 0.14 0.69 -0.12 0.00 -0.04 0.00 0.00 63.50 64.17 2k8r n PRO 72 Cb 0.50 -2.93 -0.05 0.00 -0.04 0.00 0.00 33.50 30.99 2k8r n PRO 72 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2k8r s ASN 73 N 6.20 -0.33 0.56 3.54 2.47 -1.26 -5.04 114.94 121.09 2k8r s ASN 73 Ca 0.97 -0.06 0.26 0.00 0.42 0.00 0.00 52.86 54.46 2k8r s ASN 73 Cb -0.52 0.47 1.51 0.00 -1.45 0.00 0.00 41.25 41.25 2k8r s ASN 73 CO 0.43 -0.76 2.04 -0.33 -3.72 0.00 0.00 177.10 174.76 2k8r h GLU 74 N 2.66 0.00 0.00 0.43 5.08 -2.00 -1.27 114.58 119.48 2k8r h GLU 74 Ca -0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.04 2k8r h GLU 74 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2k8r h GLU 74 CO 0.44 0.00 0.00 0.39 -1.00 0.00 0.00 179.01 178.84 2k8r n GLU 75 N -4.06 0.02 0.00 2.33 -0.58 -1.26 -1.69 120.64 115.40 2k8r n GLU 75 Ca 0.05 0.35 0.13 0.00 -0.42 0.00 0.00 57.16 57.27 2k8r n GLU 75 Cb 0.45 -1.50 0.49 0.00 -0.57 0.00 0.00 31.44 30.31 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 -2.92 4.21 0.34 0.00 2.01 -0.68 -3.77 118.68 117.87 2k8r s LEU 77 Ca 0.15 0.69 0.03 0.00 0.01 0.00 0.00 54.13 55.01 2k8r s LEU 77 Cb 0.19 -2.63 -0.04 0.00 0.01 0.00 0.00 46.19 43.71 2k8r s LEU 77 CO 0.58 -0.06 0.12 -0.36 1.01 0.00 0.00 176.35 177.64 2k8r s PHE 78 N 1.03 1.75 -0.21 0.29 0.08 -0.35 -3.14 117.98 117.43 2k8r s PHE 78 Ca 0.23 -1.22 -0.03 0.00 0.12 0.00 0.00 56.93 56.03 2k8r s PHE 78 Cb -0.15 -1.08 -0.01 0.00 -0.57 0.00 0.00 43.02 41.22 2k8r s PHE 78 CO 0.09 -0.29 -0.06 -1.17 -0.10 0.00 0.00 175.22 173.69 2k8r s LEU 79 N -3.48 2.85 -0.33 -0.37 1.98 0.20 0.80 118.68 120.34 2k8r s LEU 79 Ca 0.32 -0.39 -0.15 0.00 -2.89 0.00 0.00 54.13 51.02 2k8r s LEU 79 Cb 0.05 -1.72 -0.02 0.00 0.66 0.00 0.00 46.19 45.17 2k8r s LEU 79 CO 0.16 0.00 0.34 -0.70 -1.89 0.00 0.00 176.35 174.26 2k8r s GLU 80 N 1.34 3.65 -0.40 1.98 2.12 0.05 -1.76 118.70 125.67 2k8r s GLU 80 Ca 0.04 -0.37 -0.02 0.00 0.36 0.00 0.00 54.97 54.98 2k8r s GLU 80 Cb -0.14 -3.77 0.11 0.00 0.26 0.00 0.00 34.13 30.58 2k8r s GLU 80 CO -0.03 -0.46 0.18 0.50 -0.54 0.00 0.00 175.26 174.91 2k8r s ARG 81 N 1.98 1.92 -0.36 4.30 3.52 0.18 -4.74 118.95 125.74 2k8r s ARG 81 Ca 0.11 -1.85 -0.14 0.00 -0.13 0.00 0.00 55.73 53.72 2k8r s ARG 81 Cb -0.16 -3.52 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 2k8r s ARG 81 CO 0.11 -1.05 0.26 -1.17 -0.81 0.00 0.00 175.30 172.64 2k8r s LEU 82 N 1.06 4.69 0.00 -0.88 2.96 -1.26 0.11 118.68 125.36 2k8r s LEU 82 Ca 0.09 -0.55 0.13 0.00 -0.22 0.00 0.00 54.13 53.58 2k8r s LEU 82 Cb -0.22 -2.15 0.39 0.00 0.50 0.00 0.00 46.19 44.71 2k8r s LEU 82 CO -0.05 -0.30 1.31 1.21 -1.32 0.00 0.00 176.35 177.20 2k8r n GLU 83 N 5.14 1.85 0.00 1.98 2.13 -1.06 -4.92 120.64 125.75 2k8r n GLU 83 Ca -0.12 -1.31 0.00 0.00 0.66 0.00 0.00 57.16 56.39 2k8r n GLU 83 Cb 0.49 -1.31 0.00 0.00 0.27 0.00 0.00 31.44 30.89 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 0.56 0.00 -0.30 5.31 2.13 -1.25 -4.81 120.64 122.27 2k8r n GLU 84 Ca 0.13 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.86 2k8r n GLU 84 Cb 0.32 -0.30 -0.01 0.00 0.27 0.00 0.00 31.44 31.71 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 1.16 1.99 -3.72 4.31 5.15 -1.26 -4.42 115.26 118.48 2k8r n ASN 85 Ca 0.00 -2.10 -0.26 0.00 -0.60 0.00 0.00 54.58 51.62 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 4.51 -1.53 -3.52 1.20 1.44 -1.26 -4.86 115.22 111.19 2k8r n HIS 86 Ca 0.18 0.44 -0.11 0.00 -2.01 0.00 0.00 57.72 56.22 2k8r n HIS 86 Cb 0.07 -1.74 -0.04 0.00 0.12 0.00 0.00 29.99 28.40 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 -2.80 -0.41 0.26 -1.40 -0.85 -1.26 -4.67 117.35 106.21 2k8r s TYR 87 Ca 0.51 0.48 -0.03 0.00 -0.52 0.00 0.00 57.07 57.50 2k8r s TYR 87 Cb -0.29 0.49 -0.02 0.00 0.38 0.00 0.00 41.96 42.52 2k8r s TYR 87 CO 0.62 -0.51 0.31 0.54 -1.52 0.00 0.00 175.55 174.99 2k8r s ASN 88 N -1.87 0.42 -0.01 -0.18 2.20 0.13 -2.58 114.94 113.05 2k8r s ASN 88 Ca 0.00 -1.33 0.03 0.00 -0.94 0.00 0.00 52.86 50.62 2k8r s ASN 88 Cb -0.01 0.51 -0.01 0.00 -2.00 0.00 0.00 41.25 39.75 2k8r s ASN 88 CO -0.03 -1.04 -0.10 0.42 -2.94 0.00 0.00 177.10 173.41 2k8r s THR 89 N -3.82 0.81 -0.10 0.54 -4.23 0.31 -3.51 115.64 105.64 2k8r s THR 89 Ca 0.33 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.44 2k8r s THR 89 Cb 0.03 -0.68 -0.00 0.00 1.34 0.00 0.00 72.50 73.19 2k8r s THR 89 CO 0.15 0.23 -0.23 -0.31 -0.54 0.00 0.00 174.62 173.91 2k8r s TYR 90 N -0.25 2.56 0.03 3.99 2.02 -1.26 0.49 117.35 124.94 2k8r s TYR 90 Ca 0.04 -0.96 0.03 0.00 -0.37 0.00 0.00 57.07 55.81 2k8r s TYR 90 Cb -0.04 -1.70 -0.02 0.00 -0.40 0.00 0.00 41.96 39.80 2k8r s TYR 90 CO -0.00 -0.37 -0.09 0.96 -1.57 0.00 0.00 175.55 174.48 2k8r s ILE 91 N 0.25 0.68 -0.41 2.71 -4.36 -0.72 -3.69 121.20 115.66 2k8r s ILE 91 Ca -0.16 -0.87 -0.28 0.00 -0.26 0.00 0.00 60.65 59.08 2k8r s ILE 91 Cb -0.17 -0.67 -0.00 0.00 1.25 0.00 0.00 42.46 42.87 2k8r s ILE 91 CO 0.08 -0.16 1.58 -0.44 0.24 0.00 0.00 174.94 176.24 2k8r s SER 92 N -1.13 6.09 0.09 4.36 0.01 -1.26 0.62 113.70 122.48 2k8r s SER 92 Ca -0.04 0.91 -0.33 0.00 1.31 0.00 0.00 55.95 57.80 2k8r s SER 92 Cb -0.08 -2.53 -0.15 0.00 0.21 0.00 0.00 66.02 63.47 2k8r s SER 92 CO 0.01 -1.62 1.60 0.50 0.41 0.00 0.00 173.24 174.13 2k8r h LYS 93 N 11.77 -0.81 -0.47 12.44 3.11 -1.83 -1.92 116.57 138.86 2k8r h LYS 93 Ca -0.30 0.06 0.14 0.00 -2.81 0.00 0.00 60.65 57.74 2k8r h LYS 93 Cb 1.13 0.18 -0.02 0.00 -1.00 0.00 0.00 32.23 32.53 2k8r h LYS 93 CO 1.08 -0.54 0.38 -0.22 -2.81 0.00 0.00 179.45 177.34 2k8r h LYS 94 N -0.84 0.00 -1.18 1.90 3.64 -1.87 -0.91 116.57 117.31 2k8r h LYS 94 Ca -0.04 0.00 -0.68 0.00 -1.27 0.00 0.00 60.65 58.66 2k8r h LYS 94 Cb 0.74 0.00 -0.30 0.00 -0.41 0.00 0.00 32.23 32.26 2k8r h LYS 94 CO -0.05 0.00 0.72 0.72 -2.27 0.00 0.00 179.45 178.57 2k8r n HIS 95 N -4.15 3.15 -0.33 1.91 8.25 -0.73 -4.73 115.22 118.59 2k8r n HIS 95 Ca 0.08 -2.83 0.19 0.00 -0.26 0.00 0.00 57.72 54.90 2k8r n HIS 95 Cb 0.58 -1.27 0.40 0.00 1.12 0.00 0.00 29.99 30.82 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 2.22 1.72 -0.34 -1.41 0.00 -1.01 0.74 119.26 121.18 2k8r h ALA 96 Ca 0.57 0.18 -0.06 0.00 0.00 0.00 0.00 54.91 55.61 2k8r h ALA 96 Cb 0.73 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k8r h ALA 96 CO 1.47 -0.47 -0.03 0.93 0.00 0.00 0.00 179.25 181.15 2k8r h GLU 97 N 0.35 0.53 -1.03 0.00 4.39 -1.87 -3.00 114.58 113.95 2k8r h GLU 97 Ca 0.66 -0.12 -0.58 0.00 0.34 0.00 0.00 59.36 59.66 2k8r h GLU 97 Cb 1.40 -0.07 -0.41 0.00 -0.10 0.00 0.00 28.75 29.57 2k8r h GLU 97 CO -0.59 0.58 -0.63 1.63 -1.16 0.00 0.00 179.01 178.85 2k8r n LYS 98 N -4.26 3.48 -1.36 2.33 5.02 0.22 -4.95 118.16 118.63 2k8r n LYS 98 Ca 0.01 -4.19 -0.40 0.00 -2.02 0.00 0.00 58.31 51.71 2k8r n LYS 98 Cb 0.27 -2.27 -0.06 0.00 -0.02 0.00 0.00 35.03 32.95 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 -0.65 2.62 -4.81 4.39 6.94 0.96 -4.87 115.26 119.84 2k8r n ASN 99 Ca 0.44 -2.68 -0.36 0.00 -0.02 0.00 0.00 54.58 51.96 2k8r n ASN 99 Cb 0.84 -1.25 -0.06 0.00 -2.36 0.00 0.00 39.78 36.94 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 6.51 3.59 0.30 -2.53 0.52 -1.26 -4.87 118.94 121.20 2k8r s TRP 100 Ca 0.60 1.51 -0.29 0.00 0.02 0.00 0.00 56.10 57.94 2k8r s TRP 100 Cb 0.11 -2.73 -0.10 0.00 -1.15 0.00 0.00 33.47 29.60 2k8r s TRP 100 CO 0.13 0.22 1.22 -0.06 0.02 0.00 0.00 176.95 178.48 2k8r s PHE 101 N -1.69 3.29 0.00 -1.98 0.08 -1.26 -4.53 117.98 111.89 2k8r s PHE 101 Ca 0.49 1.52 0.00 0.00 0.12 0.00 0.00 56.93 59.05 2k8r s PHE 101 Cb -0.16 -3.51 0.00 0.00 -0.57 0.00 0.00 43.02 38.79 2k8r s PHE 101 CO 0.20 -1.31 0.00 1.33 -0.10 0.00 0.00 175.22 175.34 2k8r n VAL 102 N 1.14 0.00 0.00 -0.44 0.24 -1.24 -4.41 118.33 113.62 2k8r n VAL 102 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2k8r n VAL 102 Cb 0.43 -0.83 0.00 0.00 -1.47 0.00 0.00 33.84 31.97 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 5.00 1.99 0.00 7.63 0.00 -1.26 -4.70 105.19 113.85 2k8r n GLY 103 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 -3.82 0.99 -0.00 -1.26 -3.71 117.00 109.20 2k8r n LEU 104 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2k8r n LEU 104 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 43.42 43.31 2k8r n LEU 104 CO 0.00 0.00 -0.13 -0.75 -0.00 0.00 0.00 177.39 176.51 2k8r s LYS 105 N 0.08 0.39 0.41 1.47 2.47 0.23 -4.86 119.74 119.93 2k8r s LYS 105 Ca 0.00 -0.03 0.22 0.00 -1.56 0.00 0.00 55.97 54.60 2k8r s LYS 105 Cb 0.00 0.17 1.21 0.00 -1.46 0.00 0.00 37.83 37.76 2k8r s LYS 105 CO 0.00 -0.08 1.72 1.57 0.16 0.00 0.00 175.35 178.71 2k8r h LYS 106 N 4.99 0.27 0.00 4.03 2.10 -1.89 0.49 116.57 126.56 2k8r h LYS 106 Ca -0.28 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.35 2k8r h LYS 106 Cb 1.19 -0.06 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2k8r h LYS 106 CO 0.39 0.18 0.00 -1.71 -2.00 0.00 0.00 179.45 176.31 2k8r n ASN 107 N -4.67 0.00 -1.24 7.07 2.85 -1.26 -3.91 115.26 114.10 2k8r n ASN 107 Ca 0.30 -0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 2k8r n ASN 107 Cb 1.07 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 42.04 2k8r n ASN 107 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2k8r n GLY 108 N 0.01 0.61 3.43 8.20 0.00 0.17 -5.03 105.19 112.59 2k8r n GLY 108 Ca 0.11 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.58 -0.55 0.15 1.61 0.01 -1.18 -4.88 113.70 106.28 2k8r s SER 109 Ca 0.00 0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.37 2k8r s SER 109 Cb 0.00 0.57 -0.04 0.00 0.21 0.00 0.00 66.02 66.76 2k8r s SER 109 CO 0.00 -0.91 -0.18 0.00 0.41 0.00 0.00 173.24 172.56 2k8r n LYS 111 N 0.40 1.17 -0.16 0.00 4.76 -1.24 -4.86 118.16 118.23 2k8r n LYS 111 Ca -0.14 -2.91 -0.08 0.00 -2.87 0.00 0.00 58.31 52.31 2k8r n LYS 111 Cb 0.57 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.77 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 1.64 0.67 0.00 1.97 1.12 -1.72 -2.89 114.38 115.17 2k8r h ARG 112 Ca -0.10 -0.11 -0.08 0.00 -1.11 0.00 0.00 59.98 58.57 2k8r h ARG 112 Cb 1.53 -0.11 -0.01 0.00 -0.01 0.00 0.00 29.97 31.36 2k8r h ARG 112 CO 0.18 0.59 -0.49 0.78 -3.11 0.00 0.00 179.97 177.92 2k8r h GLY 113 N 0.59 0.00 -0.39 2.80 0.00 -1.17 -3.40 103.07 101.50 2k8r h GLY 113 Ca 0.15 0.00 0.04 0.00 0.00 0.00 0.00 47.33 47.52 2k8r h GLY 113 CO -0.02 0.00 -0.35 -2.55 0.00 0.00 0.00 176.54 173.62 2k8r h PRO 114 N -1.00 -0.15 -0.08 4.80 0.11 -1.81 -3.44 132.00 130.43 2k8r h PRO 114 Ca -0.13 0.01 0.27 0.00 0.11 0.00 0.00 66.00 66.26 2k8r h PRO 114 Cb 0.99 0.03 -0.19 0.00 0.11 0.00 0.00 31.00 31.94 2k8r h PRO 114 CO -0.08 -0.10 0.14 0.50 -0.21 0.00 0.00 178.00 178.25 2k8r s ARG 115 N -4.60 0.04 -0.15 1.05 3.52 -1.09 -5.15 118.95 112.58 2k8r s ARG 115 Ca -0.08 0.05 -0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2k8r s ARG 115 Cb 0.06 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.45 2k8r s ARG 115 CO 0.38 -0.07 -0.05 -0.08 -0.81 0.00 0.00 175.30 174.67 2k8r s THR 116 N 2.99 3.82 0.00 4.11 -1.32 -1.23 -4.80 115.64 119.21 2k8r s THR 116 Ca 0.20 -0.39 0.00 0.00 -1.21 0.00 0.00 61.69 60.29 2k8r s THR 116 Cb -0.02 -2.66 0.00 0.00 -1.51 0.00 0.00 72.50 68.31 2k8r s THR 116 CO -0.18 0.51 0.00 1.41 -2.21 0.00 0.00 174.62 174.15 2k8r n HIS 117 N 3.41 0.00 -3.04 9.09 -0.00 -1.26 -4.86 115.22 118.56 2k8r n HIS 117 Ca -0.17 0.00 -0.35 0.00 -0.00 0.00 0.00 57.72 57.20 2k8r n HIS 117 Cb 0.53 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 3.54 0.00 4.41 2.02 -1.26 -4.87 117.35 121.19 2k8r s TYR 118 Ca 0.00 1.42 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 2k8r s TYR 118 Cb 0.00 -2.66 0.00 0.00 -0.40 0.00 0.00 41.96 38.90 2k8r s TYR 118 CO 0.00 0.20 0.00 0.41 -1.57 0.00 0.00 175.55 174.59 2k8r n GLY 119 N 0.24 -2.88 0.49 0.71 0.00 -1.26 -4.46 105.19 98.04 2k8r n GLY 119 Ca 0.01 -0.89 0.32 0.00 0.00 0.00 0.00 46.02 45.45 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 0.11 0.00 1.61 4.20 -1.93 0.29 115.11 119.39 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 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2k8r h GLN 120 CO 0.00 0.07 0.34 1.57 -0.67 0.00 0.00 178.83 180.14 2k8r h LYS 121 N 0.11 0.00 0.00 1.46 5.09 -1.85 1.30 116.57 122.68 2k8r h LYS 121 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 60.65 61.31 2k8r h LYS 121 Cb 2.04 0.00 0.00 0.00 0.10 0.00 0.00 32.23 34.37 2k8r h LYS 121 CO -0.10 0.00 -1.42 0.00 -2.09 0.00 0.00 179.45 175.84 2k8r n ALA 122 N -1.70 3.14 -2.16 0.07 0.00 0.10 -4.53 120.51 115.43 2k8r n ALA 122 Ca -0.01 -0.44 0.01 0.00 0.00 0.00 0.00 53.44 53.00 2k8r n ALA 122 Cb 0.37 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.17 0.00 -3.72 0.00 -0.00 0.14 -4.50 119.36 109.11 2k8r n ILE 123 Ca -0.01 -0.33 -0.28 0.00 -0.00 0.00 0.00 62.75 62.14 2k8r n ILE 123 Cb 0.50 0.64 -0.11 0.00 -0.00 0.00 0.00 39.64 40.67 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 0.00 3.62 -0.11 1.39 2.96 0.40 -4.73 118.68 122.22 2k8r s LEU 124 Ca 0.11 -3.58 0.02 0.00 -0.22 0.00 0.00 54.13 50.46 2k8r s LEU 124 Cb 0.13 -1.21 -0.01 0.00 0.50 0.00 0.00 46.19 45.59 2k8r s LEU 124 CO -0.06 -0.11 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.32 2k8r s PHE 125 N -0.93 2.68 -0.42 5.38 0.08 -1.23 -2.32 117.98 121.23 2k8r s PHE 125 Ca 0.28 -0.74 0.02 0.00 0.12 0.00 0.00 56.93 56.60 2k8r s PHE 125 Cb -0.01 -1.76 0.13 0.00 -0.57 0.00 0.00 43.02 40.81 2k8r s PHE 125 CO -0.18 -0.25 0.21 -1.17 -0.10 0.00 0.00 175.22 173.74 2k8r s LEU 126 N 0.20 2.76 0.00 -0.37 2.96 0.24 0.17 118.68 124.65 2k8r s LEU 126 Ca -0.11 -2.48 0.00 0.00 -0.22 0.00 0.00 54.13 51.32 2k8r s LEU 126 Cb -0.16 -1.05 0.00 0.00 0.50 0.00 0.00 46.19 45.48 2k8r s LEU 126 CO 0.06 -0.29 0.00 -0.81 -1.32 0.00 0.00 176.35 173.99 2k8r n PRO 127 N 3.74 0.77 -2.82 0.98 -0.04 -1.26 -2.85 135.00 133.53 2k8r n PRO 127 Ca 0.07 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 63.13 2k8r n PRO 127 Cb 0.36 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 33.76 2k8r n PRO 127 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2k8r s LEU 128 N 0.00 4.58 0.44 1.53 2.96 -0.76 -4.87 118.68 122.56 2k8r s LEU 128 Ca 0.00 1.85 0.20 0.00 -0.22 0.00 0.00 54.13 55.96 2k8r s LEU 128 Cb 0.00 -3.59 1.16 0.00 0.50 0.00 0.00 46.19 44.25 2k8r s LEU 128 CO 0.00 0.14 1.85 -0.65 -1.32 0.00 0.00 176.35 176.36 2k8r h PRO 129 N 4.03 0.32 -6.13 0.98 0.11 -1.96 -3.43 132.00 125.92 2k8r h PRO 129 Ca -0.46 -0.02 -0.75 0.00 0.11 0.00 0.00 66.00 64.88 2k8r h PRO 129 Cb 1.20 -0.07 0.02 0.00 0.11 0.00 0.00 31.00 32.25 2k8r h PRO 129 CO 0.67 0.21 0.83 1.33 -0.21 0.00 0.00 178.00 180.83 2k8r n VAL 130 N -4.48 0.24 -3.78 3.15 0.24 -1.26 -4.90 118.33 107.54 2k8r n VAL 130 Ca 0.20 -0.04 -0.02 0.00 -2.04 0.00 0.00 64.34 62.44 2k8r n VAL 130 Cb 0.77 -1.08 -0.00 0.00 -1.47 0.00 0.00 33.84 32.06 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 3.20 -0.08 -0.45 -1.34 0.01 -1.26 -4.82 113.70 108.96 2k8r s SER 131 Ca 0.98 -0.43 -0.19 0.00 1.31 0.00 0.00 55.95 57.63 2k8r s SER 131 Cb -1.12 0.41 0.03 0.00 0.21 0.00 0.00 66.02 65.55 2k8r s SER 131 CO 0.66 -0.78 0.55 -0.44 0.41 0.00 0.00 173.24 173.65 2k8r s SER 132 N -3.15 6.25 0.00 2.44 0.01 -1.26 -4.68 113.70 113.31 2k8r s SER 132 Ca 0.17 -0.63 0.10 0.00 1.31 0.00 0.00 55.95 56.90 2k8r s SER 132 Cb -0.00 -2.27 0.58 0.00 0.21 0.00 0.00 66.02 64.53 2k8r s SER 132 CO 0.02 -0.73 1.02 -0.67 0.41 0.00 0.00 173.24 173.29