#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b8r s PHE 2 N 0.00 1.87 0.22 0.00 0.40 -1.26 -4.79 117.98 114.42 1b8r s PHE 2 Ca 0.00 0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 56.79 1b8r s PHE 2 Cb 0.00 -4.06 0.18 0.00 0.51 0.00 0.00 43.02 39.65 1b8r s PHE 2 CO 0.00 -1.62 1.81 0.00 0.70 0.00 0.00 175.22 176.11 1b8r h ALA 3 N 10.85 1.07 -0.56 5.36 0.00 -1.99 0.68 119.26 134.66 1b8r h ALA 3 Ca 0.13 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1b8r h ALA 3 Cb 0.99 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1b8r h ALA 3 CO 1.22 0.64 0.00 0.41 0.00 0.00 0.00 179.25 181.52 1b8r n GLY 4 N -1.00 2.86 0.57 0.00 0.00 -1.26 -4.51 105.19 101.85 1b8r n GLY 4 Ca 0.08 -0.87 0.00 0.00 0.00 0.00 0.00 46.02 45.23 1b8r n GLY 4 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1b8r n VAL 5 N 0.69 0.00 -4.24 1.61 0.31 -1.11 -5.13 118.33 110.47 1b8r n VAL 5 Ca 0.26 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.39 1b8r n VAL 5 Cb 1.11 -0.29 -0.12 0.00 -0.91 0.00 0.00 33.84 33.62 1b8r n VAL 5 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 1b8r s LEU 6 N -3.98 2.27 0.07 7.52 1.43 0.21 -5.06 118.68 121.15 1b8r s LEU 6 Ca 0.00 -0.61 -0.31 0.00 -1.03 0.00 0.00 54.13 52.18 1b8r s LEU 6 Cb 0.00 -0.63 -0.07 0.00 0.03 0.00 0.00 46.19 45.51 1b8r s LEU 6 CO 0.00 -0.02 1.46 0.20 0.23 0.00 0.00 176.35 178.22 1b8r s ASN 7 N -1.68 6.77 0.50 2.29 0.01 -1.26 -4.41 114.94 117.15 1b8r s ASN 7 Ca 0.01 2.32 0.19 0.00 -0.71 0.00 0.00 52.86 54.66 1b8r s ASN 7 Cb -0.10 -2.57 1.24 0.00 0.41 0.00 0.00 41.25 40.23 1b8r s ASN 7 CO 0.03 -0.74 2.04 0.44 -1.51 0.00 0.00 177.10 177.35 1b8r h ASP 8 N 7.44 0.12 0.15 -1.22 5.19 -1.93 -2.37 116.42 123.80 1b8r h ASP 8 Ca -0.41 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.90 1b8r h ASP 8 Cb 1.20 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 40.67 1b8r h ASP 8 CO 0.89 0.08 -0.38 0.00 -3.12 0.00 0.00 179.24 176.71 1b8r h ALA 9 N 1.80 1.08 0.02 3.45 0.00 -2.00 -2.48 119.26 121.13 1b8r h ALA 9 Ca 0.19 -0.40 -0.21 0.00 0.00 0.00 0.00 54.91 54.49 1b8r h ALA 9 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1b8r h ALA 9 CO -0.02 0.59 -0.94 -0.44 0.00 0.00 0.00 179.25 178.43 1b8r h ASP 10 N 0.27 0.17 -0.22 0.00 3.32 -1.73 -2.80 116.42 115.43 1b8r h ASP 10 Ca 0.03 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 56.90 1b8r h ASP 10 Cb 0.80 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.29 1b8r h ASP 10 CO 0.06 1.01 0.03 0.40 -1.72 0.00 0.00 179.24 179.02 1b8r h ILE 11 N 0.06 1.23 -0.94 0.35 2.04 -1.37 -0.17 117.51 118.71 1b8r h ILE 11 Ca -0.04 -0.79 0.04 0.00 1.00 0.00 0.00 64.86 65.07 1b8r h ILE 11 Cb 1.62 1.32 -0.06 0.00 -0.74 0.00 0.00 36.82 38.96 1b8r h ILE 11 CO 0.14 0.25 0.61 0.00 0.00 0.00 0.00 178.15 179.14 1b8r h ALA 12 N 0.83 1.25 -0.09 1.87 0.00 -1.47 0.10 119.26 121.76 1b8r h ALA 12 Ca 0.07 -0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.78 1b8r h ALA 12 Cb 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1b8r h ALA 12 CO 0.01 0.45 -0.65 0.00 0.00 0.00 0.00 179.25 179.06 1b8r h ALA 13 N 1.40 0.71 -0.15 0.00 0.00 -1.37 -1.17 119.26 118.68 1b8r h ALA 13 Ca 0.38 -0.57 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 1b8r h ALA 13 Cb 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.76 1b8r h ALA 13 CO -0.13 0.74 -0.70 0.00 0.00 0.00 0.00 179.25 179.16 1b8r h ALA 14 N 1.05 0.49 -0.30 0.00 0.00 0.10 -2.90 119.26 117.69 1b8r h ALA 14 Ca -0.01 -0.58 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 1b8r h ALA 14 Cb 1.20 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1b8r h ALA 14 CO 0.11 0.71 -0.37 -0.07 0.00 0.00 0.00 179.25 179.63 1b8r h LEU 15 N 0.45 0.85 -0.84 0.00 -0.00 -0.82 -3.07 115.31 111.88 1b8r h LEU 15 Ca -0.03 -0.49 0.12 0.00 -0.00 0.00 0.00 57.88 57.48 1b8r h LEU 15 Cb 1.29 -0.24 -0.08 0.00 -0.00 0.00 0.00 40.66 41.63 1b8r h LEU 15 CO 0.13 1.17 0.46 -0.08 -0.00 0.00 0.00 178.44 180.12 1b8r h GLU 16 N 0.55 0.69 0.00 1.13 4.22 -1.21 -2.77 114.58 117.19 1b8r h GLU 16 Ca 0.04 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.39 1b8r h GLU 16 Cb 0.96 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 1b8r h GLU 16 CO 0.09 0.46 -0.21 0.00 -2.18 0.00 0.00 179.01 177.16 1b8r h ALA 17 N 1.51 1.35 -0.58 2.92 0.00 -1.41 -3.21 119.26 119.83 1b8r h ALA 17 Ca 0.43 -0.20 -0.41 0.00 0.00 0.00 0.00 54.91 54.74 1b8r h ALA 17 Cb 0.51 -0.03 -0.28 0.00 0.00 0.00 0.00 17.79 17.98 1b8r h ALA 17 CO -0.30 0.27 -0.42 0.00 0.00 0.00 0.00 179.25 178.79 1b8r h LYS 19 N 1.74 0.63 -6.81 0.00 3.64 -1.55 -3.42 116.57 110.80 1b8r h LYS 19 Ca 0.31 -0.36 -0.50 0.00 -1.27 0.00 0.00 60.65 58.83 1b8r h LYS 19 Cb 1.39 0.03 0.01 0.00 -0.41 0.00 0.00 32.23 33.25 1b8r h LYS 19 CO 0.67 0.97 0.46 0.00 -2.27 0.00 0.00 179.45 179.28 1b8r s ALA 20 N -4.13 3.39 0.23 5.00 0.00 -1.26 -4.96 121.76 120.02 1b8r s ALA 20 Ca -0.08 0.87 -0.31 0.00 0.00 0.00 0.00 51.96 52.44 1b8r s ALA 20 Cb 0.11 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.78 1b8r s ALA 20 CO 0.84 -0.14 1.32 0.00 0.00 0.00 0.00 175.76 177.79 1b8r n ALA 21 N 1.14 0.57 -1.25 0.00 0.00 -1.26 -1.66 120.51 118.05 1b8r n ALA 21 Ca -0.01 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 1b8r n ALA 21 Cb 0.45 -2.20 -0.04 0.00 0.00 0.00 0.00 19.45 17.67 1b8r n ALA 21 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1b8r n ASP 22 N 2.02 -4.25 -0.79 0.00 8.00 -1.26 -4.90 116.55 115.37 1b8r n ASP 22 Ca 0.12 0.21 0.11 0.00 0.71 0.00 0.00 54.79 55.94 1b8r n ASP 22 Cb 0.30 -2.51 0.07 0.00 -0.02 0.00 0.00 41.12 38.96 1b8r n ASP 22 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1b8r n SER 23 N 0.25 2.63 -4.71 -2.24 3.41 -0.66 -4.99 113.62 107.30 1b8r n SER 23 Ca -0.09 -1.82 -0.42 0.00 -0.26 0.00 0.00 58.87 56.29 1b8r n SER 23 Cb 0.32 0.10 -0.03 0.00 -0.26 0.00 0.00 64.21 64.34 1b8r n SER 23 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 1b8r s PHE 24 N -1.92 3.17 -0.08 7.33 5.36 -1.26 -4.74 117.98 125.84 1b8r s PHE 24 Ca 0.24 0.85 -0.01 0.00 -0.96 0.00 0.00 56.93 57.04 1b8r s PHE 24 Cb 0.18 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.13 1b8r s PHE 24 CO 0.32 -2.70 -0.01 1.21 -1.46 0.00 0.00 175.22 172.58 1b8r s ASN 25 N 1.16 1.71 0.24 6.13 3.84 -1.26 -5.04 114.94 121.72 1b8r s ASN 25 Ca 0.66 -0.13 -0.02 0.00 0.21 0.00 0.00 52.86 53.58 1b8r s ASN 25 Cb -0.39 -0.52 0.27 0.00 -0.55 0.00 0.00 41.25 40.07 1b8r s ASN 25 CO 0.30 -0.18 1.67 1.12 -2.79 0.00 0.00 177.10 177.23 1b8r h HIS 26 N 8.30 0.77 -0.20 0.43 2.07 -1.98 -0.64 115.15 123.90 1b8r h HIS 26 Ca -0.22 -0.16 -0.11 0.00 -2.85 0.00 0.00 60.37 57.03 1b8r h HIS 26 Cb 1.13 -0.19 -0.01 0.00 2.57 0.00 0.00 27.41 30.90 1b8r h HIS 26 CO 0.48 0.83 -0.36 -0.22 -3.07 0.00 0.00 177.93 175.59 1b8r h LYS 27 N 0.61 0.44 -0.35 5.12 1.63 -1.97 0.11 116.57 122.16 1b8r h LYS 27 Ca 0.09 -0.20 -0.15 0.00 -0.85 0.00 0.00 60.65 59.54 1b8r h LYS 27 Cb 0.67 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 1b8r h LYS 27 CO 0.05 0.74 -0.35 0.00 -3.45 0.00 0.00 179.45 176.44 1b8r h ALA 28 N 1.24 0.51 0.10 5.00 0.00 -1.96 -2.53 119.26 121.62 1b8r h ALA 28 Ca 0.04 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 1b8r h ALA 28 Cb 0.81 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1b8r h ALA 28 CO 0.07 0.59 -0.05 0.35 0.00 0.00 0.00 179.25 180.21 1b8r h PHE 29 N 0.65 -0.12 -0.91 0.00 3.57 -0.85 -1.89 116.94 117.39 1b8r h PHE 29 Ca 0.05 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.64 1b8r h PHE 29 Cb 0.94 0.04 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1b8r h PHE 29 CO 0.07 0.19 0.59 0.74 -2.23 0.00 0.00 178.31 177.67 1b8r h PHE 30 N -0.44 1.02 -0.10 0.41 0.04 -0.80 0.12 116.94 117.18 1b8r h PHE 30 Ca -0.01 0.03 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1b8r h PHE 30 Cb 0.37 -0.33 -0.00 0.00 2.20 0.00 0.00 35.95 38.18 1b8r h PHE 30 CO 0.03 0.49 -0.04 0.00 -0.60 0.00 0.00 178.31 178.19 1b8r h ALA 31 N 1.53 0.14 -0.34 2.45 0.00 -1.45 -0.96 119.26 120.63 1b8r h ALA 31 Ca 0.41 -0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1b8r h ALA 31 Cb 0.33 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1b8r h ALA 31 CO -0.17 -0.11 -0.47 -0.22 0.00 0.00 0.00 179.25 178.28 1b8r h LYS 32 N -0.15 0.92 0.00 0.00 1.63 -1.01 -3.06 116.57 114.90 1b8r h LYS 32 Ca 0.02 -0.53 0.00 0.00 -0.85 0.00 0.00 60.65 59.29 1b8r h LYS 32 Cb 0.47 0.04 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 1b8r h LYS 32 CO 0.01 1.18 0.00 -0.24 -3.45 0.00 0.00 179.45 176.95 1b8r h VAL 33 N 0.72 0.00 0.00 2.00 3.04 -0.86 -3.43 116.25 117.72 1b8r h VAL 33 Ca 0.04 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 65.35 1b8r h VAL 33 Cb 1.08 1.22 0.00 0.00 -2.01 0.00 0.00 31.29 31.58 1b8r h VAL 33 CO 0.11 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.28 1b8r n GLY 34 N 0.36 0.66 0.11 3.17 0.00 -1.05 -4.63 105.19 103.81 1b8r n GLY 34 Ca 0.03 -0.49 -0.08 0.00 0.00 0.00 0.00 46.02 45.48 1b8r n GLY 34 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1b8r h LEU 35 N 0.00 0.18 -2.17 0.99 3.38 -1.44 -3.31 115.31 112.94 1b8r h LEU 35 Ca 0.00 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 57.83 1b8r h LEU 35 Cb 0.00 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 1b8r h LEU 35 CO 0.00 1.00 0.05 0.71 0.09 0.00 0.00 178.44 180.29 1b8r h THR 36 N 0.07 0.78 -0.12 0.22 1.35 -1.80 -1.89 112.91 111.51 1b8r h THR 36 Ca -0.04 0.00 -0.14 0.00 -0.55 0.00 0.00 66.41 65.69 1b8r h THR 36 Cb 1.57 0.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.94 1b8r h THR 36 CO 0.13 0.00 -0.52 0.28 -0.25 0.00 0.00 175.52 175.17 1b8r h SER 37 N 0.00 0.36 -3.37 5.36 0.02 -1.89 -3.47 113.55 110.55 1b8r h SER 37 Ca 0.03 -0.18 -0.56 0.00 -0.84 0.00 0.00 61.79 60.24 1b8r h SER 37 Cb 0.13 -0.10 0.19 0.00 0.14 0.00 0.00 62.40 62.76 1b8r h SER 37 CO -0.00 0.81 -0.30 0.29 -1.14 0.00 0.00 176.83 176.49 1b8r n LYS 38 N -3.95 0.26 -2.37 3.45 4.76 -0.71 -5.04 118.16 114.57 1b8r n LYS 38 Ca -0.02 0.14 -0.26 0.00 -2.87 0.00 0.00 58.31 55.30 1b8r n LYS 38 Cb 0.56 -1.93 0.04 0.00 -1.84 0.00 0.00 35.03 31.87 1b8r n LYS 38 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 1b8r s SER 39 N -1.59 5.30 0.57 4.39 1.04 -1.26 -4.85 113.70 117.29 1b8r s SER 39 Ca 0.66 0.55 0.28 0.00 0.48 0.00 0.00 55.95 57.92 1b8r s SER 39 Cb -0.33 -1.42 1.50 0.00 0.10 0.00 0.00 66.02 65.87 1b8r s SER 39 CO 0.57 -1.25 1.98 0.00 0.98 0.00 0.00 173.24 175.52 1b8r h ALA 40 N -0.29 2.21 0.15 5.32 0.00 -1.98 -1.08 119.26 123.60 1b8r h ALA 40 Ca -0.45 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 1b8r h ALA 40 Cb 1.28 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.10 1b8r h ALA 40 CO 0.60 -0.61 -0.07 0.22 0.00 0.00 0.00 179.25 179.39 1b8r h ASP 41 N 0.00 -0.18 -0.63 0.00 3.58 -1.99 -2.53 116.42 114.67 1b8r h ASP 41 Ca 0.20 -0.37 -0.02 0.00 0.42 0.00 0.00 57.03 57.27 1b8r h ASP 41 Cb 0.97 0.05 -0.03 0.00 1.72 0.00 0.00 39.33 42.04 1b8r h ASP 41 CO -0.00 0.37 0.33 0.44 -2.88 0.00 0.00 179.24 177.50 1b8r h ASP 42 N -0.83 0.82 -0.19 2.28 5.19 -1.66 -1.65 116.42 120.39 1b8r h ASP 42 Ca -0.02 -0.07 -0.06 0.00 -0.62 0.00 0.00 57.03 56.26 1b8r h ASP 42 Cb 0.53 -0.21 -0.02 0.00 0.18 0.00 0.00 39.33 39.82 1b8r h ASP 42 CO 0.03 0.68 -0.06 0.58 -3.12 0.00 0.00 179.24 177.36 1b8r h VAL 43 N 0.92 1.21 -0.03 -1.35 2.07 -1.31 -0.99 116.25 116.76 1b8r h VAL 43 Ca 0.23 -0.89 -0.17 0.00 0.82 0.00 0.00 66.70 66.69 1b8r h VAL 43 Cb 0.06 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 1b8r h VAL 43 CO -0.03 0.30 -0.74 0.11 0.02 0.00 0.00 177.57 177.22 1b8r h LYS 44 N 0.48 0.23 -0.40 1.57 1.57 -0.94 -2.06 116.57 117.02 1b8r h LYS 44 Ca 0.10 -0.20 -0.05 0.00 -1.87 0.00 0.00 60.65 58.62 1b8r h LYS 44 Cb 0.40 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 1b8r h LYS 44 CO 0.02 0.87 0.04 0.87 -0.57 0.00 0.00 179.45 180.68 1b8r h LYS 45 N 0.15 0.68 -0.30 3.15 1.57 -0.74 -2.43 116.57 118.66 1b8r h LYS 45 Ca -0.03 -0.20 0.02 0.00 -1.87 0.00 0.00 60.65 58.58 1b8r h LYS 45 Cb 1.31 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 1b8r h LYS 45 CO 0.11 0.75 0.15 0.00 -0.57 0.00 0.00 179.45 179.89 1b8r h ALA 46 N 0.91 0.36 -0.51 3.86 0.00 -1.13 -2.57 119.26 120.18 1b8r h ALA 46 Ca 0.12 0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.13 1b8r h ALA 46 Cb 0.42 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1b8r h ALA 46 CO 0.01 -0.23 0.01 0.35 0.00 0.00 0.00 179.25 179.39 1b8r h PHE 47 N 0.32 -0.02 -0.33 0.00 3.57 -1.17 -1.67 116.94 117.63 1b8r h PHE 47 Ca 0.12 0.04 -0.02 0.00 3.53 0.00 0.00 57.97 61.64 1b8r h PHE 47 Cb 0.04 0.09 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1b8r h PHE 47 CO -0.09 -0.11 0.13 0.00 -2.23 0.00 0.00 178.31 176.01 1b8r h ALA 48 N 1.45 1.62 -0.28 2.41 0.00 -1.07 -0.02 119.26 123.37 1b8r h ALA 48 Ca 0.26 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 1b8r h ALA 48 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1b8r h ALA 48 CO -0.42 0.31 -0.18 0.82 0.00 0.00 0.00 179.25 179.77 1b8r h ILE 49 N 0.47 1.30 -0.05 0.00 2.04 -0.95 -3.17 117.51 117.15 1b8r h ILE 49 Ca 0.12 -1.30 -0.11 0.00 1.00 0.00 0.00 64.86 64.56 1b8r h ILE 49 Cb 0.09 1.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.70 1b8r h ILE 49 CO -0.01 0.41 -0.47 0.40 0.00 0.00 0.00 178.15 178.48 1b8r h ILE 50 N 0.35 1.34 -0.46 -0.67 2.04 -0.83 -3.31 117.51 115.97 1b8r h ILE 50 Ca 0.06 -1.64 -0.67 0.00 1.00 0.00 0.00 64.86 63.60 1b8r h ILE 50 Cb 0.72 1.82 -0.06 0.00 -0.74 0.00 0.00 36.82 38.56 1b8r h ILE 50 CO 0.05 0.48 2.53 -0.67 0.00 0.00 0.00 178.15 180.54 1b8r n ASP 51 N -3.98 4.31 -0.31 1.72 2.03 -0.07 -4.80 116.55 115.45 1b8r n ASP 51 Ca -0.02 -2.87 0.06 0.00 0.52 0.00 0.00 54.79 52.49 1b8r n ASP 51 Cb 0.51 -1.69 0.21 0.00 -0.72 0.00 0.00 41.12 39.43 1b8r n ASP 51 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 1b8r h GLN 52 N 7.07 0.75 -0.36 -0.67 4.20 -1.77 -2.15 115.11 122.17 1b8r h GLN 52 Ca 0.48 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 59.15 1b8r h GLN 52 Cb 0.77 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 28.38 1b8r h GLN 52 CO 1.64 0.50 0.00 -0.40 -0.67 0.00 0.00 178.83 179.90 1b8r n ASP 53 N -4.76 2.36 -3.82 1.46 5.75 -1.26 -4.96 116.55 111.32 1b8r n ASP 53 Ca 0.17 -1.91 -0.29 0.00 -0.01 0.00 0.00 54.79 52.75 1b8r n ASP 53 Cb 0.37 -0.24 0.03 0.00 -1.03 0.00 0.00 41.12 40.25 1b8r n ASP 53 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1b8r n LYS 54 N 0.78 -5.70 0.00 0.11 4.76 -0.81 -4.90 118.16 112.41 1b8r n LYS 54 Ca 0.16 0.63 0.13 0.00 -2.87 0.00 0.00 58.31 56.36 1b8r n LYS 54 Cb 0.40 -5.54 0.40 0.00 -1.84 0.00 0.00 35.03 28.46 1b8r n LYS 54 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 1b8r n SER 55 N -2.81 0.30 0.00 4.39 3.41 -1.26 -4.91 113.62 112.74 1b8r n SER 55 Ca 0.03 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.73 1b8r n SER 55 Cb 0.53 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.40 1b8r n SER 55 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1b8r n GLY 56 N 1.49 0.29 3.20 5.00 0.00 -1.26 -5.05 105.19 108.87 1b8r n GLY 56 Ca 0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.94 1b8r n GLY 56 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1b8r s PHE 57 N -2.10 1.10 -0.50 1.61 0.08 -1.26 -4.24 117.98 112.66 1b8r s PHE 57 Ca 0.00 -0.73 -0.16 0.00 0.12 0.00 0.00 56.93 56.16 1b8r s PHE 57 Cb 0.00 -0.59 0.10 0.00 -0.57 0.00 0.00 43.02 41.96 1b8r s PHE 57 CO 0.00 0.00 0.45 0.42 -0.10 0.00 0.00 175.22 175.99 1b8r s ILE 58 N -2.91 5.22 0.76 0.64 1.01 0.78 -4.76 121.20 121.94 1b8r s ILE 58 Ca 0.10 -1.25 -0.12 0.00 0.00 0.00 0.00 60.65 59.38 1b8r s ILE 58 Cb 0.00 -4.23 0.05 0.00 0.01 0.00 0.00 42.46 38.29 1b8r s ILE 58 CO -0.01 -0.71 1.11 -1.61 0.00 0.00 0.00 174.94 173.72 1b8r s GLU 59 N 1.64 2.41 0.29 2.79 8.01 -1.26 -1.46 118.70 131.12 1b8r s GLU 59 Ca 0.04 0.43 0.02 0.00 0.01 0.00 0.00 54.97 55.47 1b8r s GLU 59 Cb -0.27 -1.97 0.60 0.00 -4.31 0.00 0.00 34.13 28.18 1b8r s GLU 59 CO 0.05 -1.35 1.81 1.49 0.01 0.00 0.00 175.26 177.28 1b8r h GLU 60 N -0.88 0.88 0.00 1.61 4.81 -1.98 -0.74 114.58 118.28 1b8r h GLU 60 Ca -0.46 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 58.67 1b8r h GLU 60 Cb 1.28 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 30.45 1b8r h GLU 60 CO 0.63 0.58 -0.21 0.38 -0.73 0.00 0.00 179.01 179.67 1b8r h ASP 61 N 0.91 0.00 0.73 1.04 2.03 -1.97 -1.91 116.42 117.25 1b8r h ASP 61 Ca 0.52 0.00 -0.26 0.00 -0.73 0.00 0.00 57.03 56.56 1b8r h ASP 61 Cb 0.61 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.08 1b8r h ASP 61 CO -0.30 0.21 -1.30 -0.33 -1.03 0.00 0.00 179.24 176.49 1b8r h GLU 62 N 0.00 0.09 -0.19 4.15 5.08 -1.54 -3.23 114.58 118.94 1b8r h GLU 62 Ca -0.00 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 1b8r h GLU 62 Cb 0.43 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1b8r h GLU 62 CO 0.03 0.95 -0.33 -0.07 -1.00 0.00 0.00 179.01 178.59 1b8r h LEU 63 N 0.02 0.40 -1.49 1.33 3.38 -0.89 -2.32 115.31 115.74 1b8r h LEU 63 Ca -0.13 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 1b8r h LEU 63 Cb 1.90 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 42.53 1b8r h LEU 63 CO 0.14 0.71 -0.22 0.50 0.09 0.00 0.00 178.44 179.66 1b8r h LYS 64 N 0.34 0.00 -0.67 1.13 3.64 -1.40 -2.46 116.57 117.14 1b8r h LYS 64 Ca 0.04 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.42 1b8r h LYS 64 Cb 0.75 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.57 1b8r h LYS 64 CO 0.06 0.22 0.00 1.28 -2.27 0.00 0.00 179.45 178.74 1b8r n LEU 65 N -3.65 4.78 -0.27 5.20 4.77 -0.90 -1.34 117.00 125.59 1b8r n LEU 65 Ca -0.01 -2.41 -0.02 0.00 -0.03 0.00 0.00 56.01 53.54 1b8r n LEU 65 Cb 0.35 -0.58 0.05 0.00 -2.33 0.00 0.00 43.42 40.90 1b8r n LEU 65 CO 0.33 0.82 0.64 0.15 -1.33 0.00 0.00 177.39 178.01 1b8r h PHE 66 N 4.16 -0.79 -0.15 -1.77 3.57 -1.10 -1.42 116.94 119.44 1b8r h PHE 66 Ca 0.00 0.08 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 1b8r h PHE 66 Cb 1.45 0.46 -0.01 0.00 2.79 0.00 0.00 35.95 40.64 1b8r h PHE 66 CO 0.78 -0.38 -0.00 -0.07 -2.23 0.00 0.00 178.31 176.41 1b8r h LEU 67 N -0.07 0.19 -1.67 0.59 4.07 -1.84 -2.64 115.31 113.94 1b8r h LEU 67 Ca 0.31 -0.02 0.00 0.00 0.08 0.00 0.00 57.88 58.25 1b8r h LEU 67 Cb 0.57 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.27 1b8r h LEU 67 CO -0.80 0.23 0.00 1.56 -1.08 0.00 0.00 178.44 178.35 1b8r h GLN 68 N 0.21 0.00 0.00 1.13 4.20 -1.37 -0.74 115.11 118.53 1b8r h GLN 68 Ca 0.05 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.69 1b8r h GLN 68 Cb 0.15 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1b8r h GLN 68 CO 0.00 0.00 -0.33 -0.91 -0.67 0.00 0.00 178.83 176.92 1b8r h ASN 69 N 0.00 0.00 0.18 1.46 2.35 -1.52 -3.17 115.58 114.88 1b8r h ASN 69 Ca 0.00 0.00 -0.35 0.00 -0.55 0.00 0.00 56.30 55.40 1b8r h ASN 69 Cb 0.24 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.57 1b8r h ASN 69 CO 0.00 0.33 -2.05 0.49 -1.65 0.00 0.00 177.43 174.55 1b8r n PHE 70 N -3.52 0.85 -3.53 1.19 3.01 -0.35 -3.87 117.46 111.25 1b8r n PHE 70 Ca -0.00 0.22 -0.13 0.00 1.01 0.00 0.00 57.45 58.54 1b8r n PHE 70 Cb 0.47 -1.12 -0.11 0.00 -0.01 0.00 0.00 39.48 38.71 1b8r n PHE 70 CO 0.00 0.00 0.00 0.21 1.01 0.00 0.00 176.76 177.98 1b8r s LYS 71 N -2.55 0.23 0.41 -1.08 2.20 -0.83 0.16 119.74 118.28 1b8r s LYS 71 Ca -0.19 0.56 0.21 0.00 -0.36 0.00 0.00 55.97 56.19 1b8r s LYS 71 Cb 0.07 -0.46 1.18 0.00 -1.51 0.00 0.00 37.83 37.11 1b8r s LYS 71 CO 0.76 -0.49 1.74 0.00 -0.36 0.00 0.00 175.35 177.00 1b8r h ALA 72 N 8.25 2.36 -0.16 3.13 0.00 -1.82 -1.58 119.26 129.45 1b8r h ALA 72 Ca -0.17 0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1b8r h ALA 72 Cb 1.14 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1b8r h ALA 72 CO 0.21 -0.81 0.00 -0.40 0.00 0.00 0.00 179.25 178.26 1b8r n ASP 73 N -4.63 1.98 -4.71 0.00 5.75 -1.26 -4.86 116.55 108.81 1b8r n ASP 73 Ca 0.28 -1.73 -0.35 0.00 -0.01 0.00 0.00 54.79 52.98 1b8r n ASP 73 Cb 1.00 -0.10 0.10 0.00 -1.03 0.00 0.00 41.12 41.10 1b8r n ASP 73 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1b8r n ALA 74 N 0.53 0.46 -1.41 2.12 0.00 -0.59 -4.99 120.51 116.62 1b8r n ALA 74 Ca 0.17 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 53.11 1b8r n ALA 74 Cb 0.39 -2.28 0.08 0.00 0.00 0.00 0.00 19.45 17.64 1b8r n ALA 74 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 1b8r s ARG 75 N -3.82 2.47 0.48 0.00 1.70 -1.26 -4.65 118.95 113.87 1b8r s ARG 75 Ca 0.77 1.01 -0.16 0.00 -0.47 0.00 0.00 55.73 56.88 1b8r s ARG 75 Cb -0.33 -1.93 -0.08 0.00 -0.57 0.00 0.00 34.95 32.04 1b8r s ARG 75 CO 0.46 -1.44 0.94 0.00 -1.08 0.00 0.00 175.30 174.18 1b8r s ALA 76 N -2.99 3.12 0.52 7.88 0.00 -1.26 -4.57 121.76 124.46 1b8r s ALA 76 Ca 0.60 0.15 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 1b8r s ALA 76 Cb -0.16 -3.05 -0.07 0.00 0.00 0.00 0.00 23.12 19.84 1b8r s ALA 76 CO 0.56 -0.13 0.99 -0.51 0.00 0.00 0.00 175.76 176.67 1b8r s LEU 77 N -3.87 3.61 0.83 0.00 1.43 -0.45 -5.04 118.68 115.19 1b8r s LEU 77 Ca 0.58 1.59 -0.11 0.00 -1.03 0.00 0.00 54.13 55.16 1b8r s LEU 77 Cb -0.10 -4.51 0.09 0.00 0.03 0.00 0.00 46.19 41.70 1b8r s LEU 77 CO 0.28 -0.64 1.10 0.42 0.23 0.00 0.00 176.35 177.74 1b8r s THR 78 N -2.61 2.91 0.44 5.49 -4.23 -1.26 -4.80 115.64 111.58 1b8r s THR 78 Ca 0.59 0.29 0.19 0.00 -1.18 0.00 0.00 61.69 61.59 1b8r s THR 78 Cb -0.10 -2.96 0.22 0.00 1.34 0.00 0.00 72.50 71.00 1b8r s THR 78 CO 0.32 -0.38 2.02 0.44 -0.54 0.00 0.00 174.62 176.48 1b8r h ASP 79 N -1.24 0.00 -0.19 3.99 3.32 -1.98 0.38 116.42 120.71 1b8r h ASP 79 Ca -0.48 0.00 -0.16 0.00 0.02 0.00 0.00 57.03 56.41 1b8r h ASP 79 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1b8r h ASP 79 CO 0.58 0.16 -0.50 1.23 -1.72 0.00 0.00 179.24 178.99 1b8r h GLY 80 N 0.64 0.73 1.44 2.75 0.00 -1.99 -0.98 103.07 105.66 1b8r h GLY 80 Ca -0.00 -0.92 -0.10 0.00 0.00 0.00 0.00 47.33 46.31 1b8r h GLY 80 CO 0.02 0.82 -0.22 0.83 0.00 0.00 0.00 176.54 177.99 1b8r h GLU 81 N 0.35 0.65 -0.36 4.80 5.08 -1.77 -2.76 114.58 120.56 1b8r h GLU 81 Ca -0.01 -0.25 -0.15 0.00 -1.00 0.00 0.00 59.36 57.96 1b8r h GLU 81 Cb 1.11 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.32 1b8r h GLU 81 CO 0.11 0.82 -0.34 1.15 -1.00 0.00 0.00 179.01 179.74 1b8r h THR 82 N 0.57 1.28 -0.48 1.13 2.02 -0.87 -2.28 112.91 114.28 1b8r h THR 82 Ca 0.08 -1.51 -0.10 0.00 0.77 0.00 0.00 66.41 65.65 1b8r h THR 82 Cb 0.69 1.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.50 1b8r h THR 82 CO 0.05 0.50 -0.10 0.11 0.37 0.00 0.00 175.52 176.46 1b8r h LYS 83 N 0.67 0.86 -0.28 6.66 1.79 -1.13 -0.23 116.57 124.91 1b8r h LYS 83 Ca 0.06 -0.29 -0.05 0.00 -2.18 0.00 0.00 60.65 58.19 1b8r h LYS 83 Cb 0.93 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 1b8r h LYS 83 CO 0.09 0.92 -0.02 1.15 -1.08 0.00 0.00 179.45 180.50 1b8r h THR 84 N 0.78 1.27 -0.37 -0.16 2.02 -1.47 0.90 112.91 115.88 1b8r h THR 84 Ca 0.13 -0.99 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1b8r h THR 84 Cb 0.60 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 68.34 1b8r h THR 84 CO 0.04 0.32 0.09 0.15 0.37 0.00 0.00 175.52 176.48 1b8r h PHE 85 N 0.29 0.62 0.43 3.16 3.04 -1.35 -1.59 116.94 121.54 1b8r h PHE 85 Ca 0.08 -0.07 -0.02 0.00 3.98 0.00 0.00 57.97 61.93 1b8r h PHE 85 Cb 0.47 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1b8r h PHE 85 CO 0.04 0.61 -0.21 1.25 -2.02 0.00 0.00 178.31 177.99 1b8r h LEU 86 N 0.44 -0.49 -2.02 0.59 5.85 -0.95 -2.61 115.31 116.12 1b8r h LEU 86 Ca 0.11 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.92 1b8r h LEU 86 Cb 0.31 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1b8r h LEU 86 CO 0.00 -0.30 0.25 0.11 -0.34 0.00 0.00 178.44 178.16 1b8r h LYS 87 N -0.63 0.00 -0.09 1.25 1.57 -0.74 -1.02 116.57 116.91 1b8r h LYS 87 Ca -0.06 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.51 1b8r h LYS 87 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1b8r h LYS 87 CO 0.10 0.00 -0.81 0.00 -0.57 0.00 0.00 179.45 178.17 1b8r h ALA 88 N 1.82 0.41 0.06 3.86 0.00 -1.06 -3.37 119.26 120.99 1b8r h ALA 88 Ca 0.16 -0.63 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 1b8r h ALA 88 Cb 0.67 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1b8r h ALA 88 CO -0.00 0.73 -1.82 0.78 0.00 0.00 0.00 179.25 178.95 1b8r h GLY 89 N 0.93 0.16 -6.71 0.00 0.00 -1.03 -3.44 103.07 92.98 1b8r h GLY 89 Ca -0.05 -0.40 -0.59 0.00 0.00 0.00 0.00 47.33 46.29 1b8r h GLY 89 CO 0.15 0.35 2.12 1.34 0.00 0.00 0.00 176.54 180.50 1b8r n ASP 90 N -3.27 2.91 0.29 0.19 2.03 -0.45 -4.75 116.55 113.50 1b8r n ASP 90 Ca -0.23 -2.71 0.16 0.00 0.52 0.00 0.00 54.79 52.53 1b8r n ASP 90 Cb 1.05 -1.34 0.93 0.00 -0.72 0.00 0.00 41.12 41.04 1b8r n ASP 90 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 1b8r h SER 91 N 8.06 0.00 -0.03 1.67 0.02 -1.87 -2.85 113.55 118.55 1b8r h SER 91 Ca 0.40 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.35 1b8r h SER 91 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1b8r h SER 91 CO 1.77 0.00 0.00 -0.90 -1.14 0.00 0.00 176.83 176.56 1b8r n ASP 92 N -3.76 2.40 -0.78 3.07 5.68 -1.26 -5.03 116.55 116.87 1b8r n ASP 92 Ca -0.02 -1.69 -0.10 0.00 -0.50 0.00 0.00 54.79 52.47 1b8r n ASP 92 Cb 0.12 -0.01 -0.04 0.00 -1.14 0.00 0.00 41.12 40.06 1b8r n ASP 92 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1b8r n GLY 93 N 0.93 1.05 0.44 6.12 0.00 -1.08 -4.91 105.19 107.75 1b8r n GLY 93 Ca 0.10 -0.58 0.13 0.00 0.00 0.00 0.00 46.02 45.67 1b8r n GLY 93 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1b8r n ASP 94 N 0.39 1.36 0.00 1.61 5.75 -1.26 -4.92 116.55 119.49 1b8r n ASP 94 Ca -0.10 -1.51 0.00 0.00 -0.01 0.00 0.00 54.79 53.17 1b8r n ASP 94 Cb 0.34 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.40 1b8r n ASP 94 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1b8r n GLY 95 N 1.13 0.73 3.23 6.12 0.00 -1.26 -5.05 105.19 110.10 1b8r n GLY 95 Ca 0.18 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 1b8r n GLY 95 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1b8r s LYS 96 N -0.33 1.05 -0.25 1.61 -2.85 -1.26 -4.31 119.74 113.40 1b8r s LYS 96 Ca 0.00 -1.35 -0.05 0.00 -1.00 0.00 0.00 55.97 53.57 1b8r s LYS 96 Cb 0.00 0.30 -0.00 0.00 -2.06 0.00 0.00 37.83 36.07 1b8r s LYS 96 CO 0.00 -0.34 -0.00 0.42 0.10 0.00 0.00 175.35 175.53 1b8r s ILE 97 N -4.03 3.56 0.66 3.79 1.01 -0.54 -4.69 121.20 120.97 1b8r s ILE 97 Ca 0.23 -0.57 -0.03 0.00 0.00 0.00 0.00 60.65 60.28 1b8r s ILE 97 Cb 0.06 -2.71 0.07 0.00 0.01 0.00 0.00 42.46 39.89 1b8r s ILE 97 CO 0.02 0.30 0.93 -0.83 0.00 0.00 0.00 174.94 175.36 1b8r s GLY 98 N 1.48 1.76 0.39 6.18 0.00 -1.26 -0.16 107.32 115.72 1b8r s GLY 98 Ca 0.04 -1.27 0.09 0.00 0.00 0.00 0.00 44.72 43.58 1b8r s GLY 98 CO -0.01 -0.86 1.97 -0.24 0.00 0.00 0.00 173.10 173.96 1b8r h VAL 99 N -0.37 0.98 -0.07 1.40 3.04 -2.00 -1.93 116.25 117.30 1b8r h VAL 99 Ca -0.42 -0.21 -0.21 0.00 -1.01 0.00 0.00 66.70 64.85 1b8r h VAL 99 Cb 1.29 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.88 1b8r h VAL 99 CO 0.52 0.11 -0.82 0.44 -1.01 0.00 0.00 177.57 176.81 1b8r h ASP 100 N 0.61 0.63 0.33 3.17 3.32 -1.97 -1.58 116.42 120.93 1b8r h ASP 100 Ca 0.29 -0.44 -0.09 0.00 0.02 0.00 0.00 57.03 56.81 1b8r h ASP 100 Cb 0.35 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 1b8r h ASP 100 CO -0.09 1.21 -0.40 -0.33 -1.72 0.00 0.00 179.24 177.91 1b8r h GLU 101 N 0.33 0.10 -0.18 3.56 5.08 -1.78 -2.44 114.58 119.25 1b8r h GLU 101 Ca -0.05 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.18 1b8r h GLU 101 Cb 1.43 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.67 1b8r h GLU 101 CO 0.15 0.49 -0.22 2.35 -1.00 0.00 0.00 179.01 180.78 1b8r h TRP 102 N 0.08 0.56 -0.42 4.33 2.91 -1.20 -1.98 115.95 120.24 1b8r h TRP 102 Ca 0.01 -0.18 0.02 0.00 1.13 0.00 0.00 58.89 59.87 1b8r h TRP 102 Cb 0.75 -0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.25 1b8r h TRP 102 CO 0.01 0.85 0.25 1.15 -1.03 0.00 0.00 178.44 179.66 1b8r h THR 103 N 0.11 1.04 -0.18 2.65 2.02 -1.16 0.17 112.91 117.56 1b8r h THR 103 Ca 0.02 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.03 1b8r h THR 103 Cb 0.77 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.68 1b8r h THR 103 CO 0.05 0.09 0.08 0.00 0.37 0.00 0.00 175.52 176.12 1b8r h ALA 104 N 1.19 0.23 -0.81 6.16 0.00 -1.48 -0.96 119.26 123.59 1b8r h ALA 104 Ca 0.17 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1b8r h ALA 104 Cb 0.01 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.66 1b8r h ALA 104 CO -0.08 -0.20 0.47 1.25 0.00 0.00 0.00 179.25 180.69 1b8r h LEU 105 N 0.16 0.70 -0.42 0.00 5.85 -0.91 0.12 115.31 120.81 1b8r h LEU 105 Ca 0.06 0.04 -0.17 0.00 0.84 0.00 0.00 57.88 58.65 1b8r h LEU 105 Cb 0.13 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.05 1b8r h LEU 105 CO -0.01 0.42 -0.51 0.58 -0.34 0.00 0.00 178.44 178.58 1b8r h VAL 106 N 0.82 1.29 0.10 1.05 2.07 -0.73 -3.38 116.25 117.47 1b8r h VAL 106 Ca 0.37 -1.72 -0.34 0.00 0.82 0.00 0.00 66.70 65.84 1b8r h VAL 106 Cb 0.28 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 1b8r h VAL 106 CO -0.22 0.55 -1.86 0.29 0.02 0.00 0.00 177.57 176.36 1b8r n LYS 107 N -4.00 0.72 0.00 1.57 4.76 -0.39 -4.65 118.16 116.18 1b8r n LYS 107 Ca -0.03 0.32 0.14 0.00 -2.87 0.00 0.00 58.31 55.87 1b8r n LYS 107 Cb 0.60 -1.72 0.60 0.00 -1.84 0.00 0.00 35.03 32.68 1b8r n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03