#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2nyi s THR 3 N 0.00 5.15 0.34 3.84 -1.32 -1.26 -4.11 115.64 118.28 2nyi s THR 3 Ca 0.00 0.92 0.09 0.00 -1.21 0.00 0.00 61.69 61.50 2nyi s THR 3 Cb 0.00 -3.79 -0.06 0.00 -1.51 0.00 0.00 72.50 67.14 2nyi s THR 3 CO 0.00 0.38 -0.02 -1.10 -2.21 0.00 0.00 174.62 171.67 2nyi s GLN 4 N 0.28 2.00 -0.04 7.08 1.11 -0.08 -4.88 119.66 125.13 2nyi s GLN 4 Ca 0.25 -1.80 -0.02 0.00 0.01 0.00 0.00 55.36 53.80 2nyi s GLN 4 Cb -0.15 -1.86 -0.04 0.00 -1.01 0.00 0.00 33.01 29.94 2nyi s GLN 4 CO 0.11 0.14 0.07 -1.12 0.01 0.00 0.00 175.29 174.50 2nyi s SER 5 N -3.68 5.68 -0.01 5.90 0.01 -1.26 -1.76 113.70 118.57 2nyi s SER 5 Ca 0.34 0.19 0.04 0.00 1.31 0.00 0.00 55.95 57.83 2nyi s SER 5 Cb 0.01 -1.66 -0.01 0.00 0.21 0.00 0.00 66.02 64.57 2nyi s SER 5 CO 0.18 0.32 -0.13 -0.36 0.41 0.00 0.00 173.24 173.66 2nyi s PHE 6 N -1.09 1.16 -0.19 2.43 0.08 0.98 -1.16 117.98 120.19 2nyi s PHE 6 Ca 0.19 -0.22 -0.08 0.00 0.12 0.00 0.00 56.93 56.94 2nyi s PHE 6 Cb -0.12 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.54 2nyi s PHE 6 CO 0.10 -0.02 0.08 0.54 -0.10 0.00 0.00 175.22 175.81 2nyi s VAL 7 N -0.30 4.91 -0.08 -0.44 0.11 0.18 -0.09 120.40 124.67 2nyi s VAL 7 Ca 0.05 0.01 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2nyi s VAL 7 Cb -0.05 -3.22 0.00 0.00 -1.53 0.00 0.00 36.38 31.58 2nyi s VAL 7 CO -0.00 0.45 -0.19 -0.69 -3.33 0.00 0.00 175.10 171.33 2nyi s VAL 8 N 0.42 1.67 -0.04 2.04 1.01 0.63 -1.82 120.40 124.31 2nyi s VAL 8 Ca 0.04 -0.80 0.04 0.00 0.00 0.00 0.00 61.98 61.27 2nyi s VAL 8 Cb -0.12 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2nyi s VAL 8 CO -0.00 0.47 -0.16 -0.44 0.00 0.00 0.00 175.10 174.97 2nyi s SER 9 N 0.44 3.89 -0.05 3.32 0.01 -0.30 -0.45 113.70 120.56 2nyi s SER 9 Ca -0.16 -0.24 0.02 0.00 1.31 0.00 0.00 55.95 56.88 2nyi s SER 9 Cb -0.17 -0.77 0.01 0.00 0.21 0.00 0.00 66.02 65.30 2nyi s SER 9 CO 0.07 0.34 -0.11 -0.69 0.41 0.00 0.00 173.24 173.26 2nyi s VAL 10 N -0.72 0.96 -0.01 3.43 1.01 -1.26 -1.53 120.40 122.28 2nyi s VAL 10 Ca 0.11 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.68 2nyi s VAL 10 Cb -0.11 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2nyi s VAL 10 CO 0.00 0.31 0.01 0.00 0.00 0.00 0.00 175.10 175.42 2nyi s ALA 11 N 0.50 -0.02 0.00 5.51 0.00 0.17 -4.28 121.76 123.63 2nyi s ALA 11 Ca -0.10 0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2nyi s ALA 11 Cb -0.13 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2nyi s ALA 11 CO 0.02 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2nyi n GLY 12 N 3.14 0.54 3.73 0.00 0.00 -0.76 -0.53 105.19 111.32 2nyi n GLY 12 Ca -0.13 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2nyi n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2nyi s SER 13 N 0.22 7.41 0.42 1.61 0.01 -1.26 -0.70 113.70 121.42 2nyi s SER 13 Ca 0.00 1.89 -0.25 0.00 1.31 0.00 0.00 55.95 58.90 2nyi s SER 13 Cb 0.00 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.56 2nyi s SER 13 CO 0.00 -0.13 1.23 -0.62 0.41 0.00 0.00 173.24 174.13 2nyi s ASP 14 N 0.01 6.28 0.12 2.44 2.15 -0.32 -4.75 116.67 122.61 2nyi s ASP 14 Ca 0.48 2.48 -0.25 0.00 0.43 0.00 0.00 52.55 55.68 2nyi s ASP 14 Cb -0.25 -2.62 0.07 0.00 -0.30 0.00 0.00 42.92 39.82 2nyi s ASP 14 CO 0.31 -0.85 0.87 0.00 -0.17 0.00 0.00 175.17 175.33 2nyi s ARG 15 N -2.40 1.17 0.40 4.34 1.70 -1.26 -4.95 118.95 117.94 2nyi s ARG 15 Ca 0.59 -0.58 -0.27 0.00 -0.47 0.00 0.00 55.73 55.01 2nyi s ARG 15 Cb -0.34 0.44 -0.10 0.00 -0.57 0.00 0.00 34.95 34.39 2nyi s ARG 15 CO 0.42 -0.53 1.39 0.08 -1.08 0.00 0.00 175.30 175.58 2nyi s VAL 16 N -3.37 2.33 0.00 4.99 1.01 -1.26 -3.86 120.40 120.25 2nyi s VAL 16 Ca 0.09 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.38 2nyi s VAL 16 Cb -0.02 -3.19 0.00 0.00 0.00 0.00 0.00 36.38 33.17 2nyi s VAL 16 CO -0.02 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.75 2nyi n GLY 17 N 0.61 0.66 0.07 4.51 0.00 -1.26 -4.97 105.19 104.81 2nyi n GLY 17 Ca 0.03 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.92 2nyi n GLY 17 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nyi h ILE 18 N 0.00 1.05 -0.76 -0.61 2.04 -1.99 0.43 117.51 117.66 2nyi h ILE 18 Ca 0.00 -0.35 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 2nyi h ILE 18 Cb 0.00 1.29 -0.04 0.00 -0.74 0.00 0.00 36.82 37.33 2nyi h ILE 18 CO 0.00 0.09 0.45 0.58 0.00 0.00 0.00 178.15 179.27 2nyi h VAL 19 N -0.23 1.22 -0.13 1.67 2.07 -1.93 -0.44 116.25 118.47 2nyi h VAL 19 Ca -0.01 -0.50 0.01 0.00 0.82 0.00 0.00 66.70 67.02 2nyi h VAL 19 Cb 0.20 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 2nyi h VAL 19 CO 0.01 0.23 0.07 -0.74 0.02 0.00 0.00 177.57 177.16 2nyi h HIS 20 N 1.05 0.13 -0.64 1.57 -0.00 -1.93 -0.17 115.15 115.16 2nyi h HIS 20 Ca 0.27 0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.67 2nyi h HIS 20 Cb -0.02 -0.04 -0.04 0.00 -0.00 0.00 0.00 27.41 27.31 2nyi h HIS 20 CO -0.01 0.08 0.40 -0.44 -0.00 0.00 0.00 177.93 177.96 2nyi h ASP 21 N 0.15 0.66 0.09 3.26 3.32 -0.50 -0.03 116.42 123.37 2nyi h ASP 21 Ca 0.05 -0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.11 2nyi h ASP 21 Cb 0.00 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 2nyi h ASP 21 CO -0.03 0.46 -0.13 0.15 -1.72 0.00 0.00 179.24 177.97 2nyi h PHE 22 N 0.79 -0.33 -0.49 4.55 3.57 -1.00 -2.41 116.94 121.63 2nyi h PHE 22 Ca 0.26 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.73 2nyi h PHE 22 Cb 0.01 0.13 -0.02 0.00 2.79 0.00 0.00 35.95 38.86 2nyi h PHE 22 CO -0.05 -0.19 0.18 0.77 -2.23 0.00 0.00 178.31 176.78 2nyi h SER 23 N -0.26 0.69 -0.33 0.41 0.02 -0.61 -1.95 113.55 111.52 2nyi h SER 23 Ca 0.01 -0.19 0.01 0.00 -0.84 0.00 0.00 61.79 60.79 2nyi h SER 23 Cb 0.27 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.61 2nyi h SER 23 CO -0.06 0.69 0.21 -0.25 -1.14 0.00 0.00 176.83 176.28 2nyi h TRP 24 N 0.65 0.39 -0.55 3.45 7.01 -1.04 -0.17 115.95 125.69 2nyi h TRP 24 Ca 0.16 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.24 2nyi h TRP 24 Cb 0.23 -0.13 -0.06 0.00 -2.10 0.00 0.00 29.16 27.10 2nyi h TRP 24 CO 0.01 0.24 0.24 0.00 -2.79 0.00 0.00 178.44 176.14 2nyi h ALA 25 N 1.13 0.70 -0.30 2.65 0.00 -0.98 -0.64 119.26 121.82 2nyi h ALA 25 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2nyi h ALA 25 Cb -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2nyi h ALA 25 CO -0.04 -0.14 0.13 -0.07 0.00 0.00 0.00 179.25 179.13 2nyi h LEU 26 N 0.46 0.41 -1.00 0.00 3.38 -1.09 -2.86 115.31 114.61 2nyi h LEU 26 Ca 0.26 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 58.11 2nyi h LEU 26 Cb 0.24 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.83 2nyi h LEU 26 CO -0.22 0.44 0.66 0.50 0.09 0.00 0.00 178.44 179.91 2nyi h LYS 27 N 0.34 1.26 0.00 1.13 3.64 -0.61 -0.48 116.57 121.85 2nyi h LYS 27 Ca 0.10 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.38 2nyi h LYS 27 Cb 0.15 -0.28 -0.00 0.00 -0.41 0.00 0.00 32.23 31.69 2nyi h LYS 27 CO -0.01 0.83 -0.12 -0.97 -2.27 0.00 0.00 179.45 176.92 2nyi h ASN 28 N 1.30 0.00 -0.60 4.20 -1.24 -0.94 -1.50 115.58 116.81 2nyi h ASN 28 Ca 0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.40 2nyi h ASN 28 Cb -0.05 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.00 2nyi h ASN 28 CO -0.11 0.12 0.00 2.30 -1.29 0.00 0.00 177.43 178.45 2nyi n ILE 29 N -3.99 1.59 -2.32 2.57 -5.35 -0.75 -4.95 119.36 106.17 2nyi n ILE 29 Ca -0.02 -1.19 -0.17 0.00 -0.27 0.00 0.00 62.75 61.10 2nyi n ILE 29 Cb 0.20 0.23 -0.01 0.00 -1.74 0.00 0.00 39.64 38.32 2nyi n ILE 29 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 2nyi n SER 30 N 1.03 -5.11 -4.85 7.28 7.64 -0.56 -5.01 113.62 114.04 2nyi n SER 30 Ca 0.23 -0.01 -0.36 0.00 1.01 0.00 0.00 58.87 59.75 2nyi n SER 30 Cb 0.78 -4.19 -0.06 0.00 -1.01 0.00 0.00 64.21 59.73 2nyi n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2nyi s ALA 31 N -2.87 3.67 -0.07 -0.43 0.00 -0.26 -4.84 121.76 116.97 2nyi s ALA 31 Ca 0.00 -0.25 0.03 0.00 0.00 0.00 0.00 51.96 51.74 2nyi s ALA 31 Cb 0.00 -2.39 -0.02 0.00 0.00 0.00 0.00 23.12 20.71 2nyi s ALA 31 CO 0.00 0.51 -0.13 -0.80 0.00 0.00 0.00 175.76 175.33 2nyi s ASN 32 N -1.58 4.08 -0.24 0.00 0.01 -0.12 -4.06 114.94 113.03 2nyi s ASN 32 Ca 0.32 -0.20 -0.29 0.00 -0.71 0.00 0.00 52.86 51.98 2nyi s ASN 32 Cb -0.15 -1.01 0.00 0.00 0.41 0.00 0.00 41.25 40.50 2nyi s ASN 32 CO 0.17 0.31 1.20 -0.69 -1.51 0.00 0.00 177.10 176.59 2nyi s VAL 33 N -0.54 4.36 -0.11 1.60 1.01 -1.26 -0.52 120.40 124.94 2nyi s VAL 33 Ca 0.07 1.60 -0.19 0.00 0.00 0.00 0.00 61.98 63.46 2nyi s VAL 33 Cb -0.12 -4.17 -0.27 0.00 0.00 0.00 0.00 36.38 31.82 2nyi s VAL 33 CO 0.01 -0.30 0.61 -0.33 0.00 0.00 0.00 175.10 175.10 2nyi h GLU 34 N 8.35 0.20 -3.05 2.72 5.08 -0.29 -3.48 114.58 124.11 2nyi h GLU 34 Ca -0.24 -0.35 0.01 0.00 -1.00 0.00 0.00 59.36 57.78 2nyi h GLU 34 Cb 1.09 0.13 -0.10 0.00 0.50 0.00 0.00 28.75 30.37 2nyi h GLU 34 CO 1.00 1.17 0.19 -1.54 -1.00 0.00 0.00 179.01 178.82 2nyi s SER 35 N -6.92 -0.42 0.04 1.42 1.04 -1.14 -4.99 113.70 102.72 2nyi s SER 35 Ca -0.19 -0.27 -0.26 0.00 0.48 0.00 0.00 55.95 55.71 2nyi s SER 35 Cb 0.03 0.64 0.06 0.00 0.10 0.00 0.00 66.02 66.85 2nyi s SER 35 CO 0.75 -1.10 0.60 -0.94 0.98 0.00 0.00 173.24 173.54 2nyi s SER 36 N -2.82 -0.56 0.34 7.02 1.04 -1.26 -1.15 113.70 116.31 2nyi s SER 36 Ca 0.05 0.35 0.04 0.00 0.48 0.00 0.00 55.95 56.87 2nyi s SER 36 Cb -0.03 0.54 -0.02 0.00 0.10 0.00 0.00 66.02 66.61 2nyi s SER 36 CO -0.05 -0.74 0.35 -0.13 0.98 0.00 0.00 173.24 173.66 2nyi s ARG 37 N -2.26 1.84 -0.27 4.02 0.52 -0.53 -5.01 118.95 117.25 2nyi s ARG 37 Ca -0.06 -1.95 -0.24 0.00 -0.52 0.00 0.00 55.73 52.96 2nyi s ARG 37 Cb -0.01 0.37 0.08 0.00 0.52 0.00 0.00 34.95 35.92 2nyi s ARG 37 CO 0.00 -0.71 0.79 0.00 0.02 0.00 0.00 175.30 175.40 2nyi s ALA 39 N -3.25 -1.85 -0.20 2.13 0.00 0.17 -0.89 121.76 117.88 2nyi s ALA 39 Ca 0.37 2.05 -0.04 0.00 0.00 0.00 0.00 51.96 54.34 2nyi s ALA 39 Cb 0.01 -1.28 0.10 0.00 0.00 0.00 0.00 23.12 21.95 2nyi s ALA 39 CO 0.26 -0.32 0.30 0.00 0.00 0.00 0.00 175.76 175.99 2nyi s LEU 41 N 2.44 -0.65 -2.11 0.00 2.96 -0.71 -4.95 118.68 115.66 2nyi s LEU 41 Ca 0.07 1.38 0.00 0.00 -0.22 0.00 0.00 54.13 55.36 2nyi s LEU 41 Cb -0.14 2.31 0.00 0.00 0.50 0.00 0.00 46.19 48.86 2nyi s LEU 41 CO -0.12 -0.24 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 2nyi n GLY 42 N 3.08 1.91 1.50 7.98 0.00 -1.26 -1.11 105.19 117.29 2nyi n GLY 42 Ca -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2nyi n GLY 42 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2nyi n GLY 43 N -0.52 0.76 3.89 -0.02 0.00 -1.26 -5.08 105.19 102.96 2nyi n GLY 43 Ca -0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.56 2nyi n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2nyi s ASP 44 N -2.60 6.02 -0.03 1.61 1.11 -0.27 -1.18 116.67 121.33 2nyi s ASP 44 Ca 0.00 0.06 0.04 0.00 0.18 0.00 0.00 52.55 52.83 2nyi s ASP 44 Cb 0.00 -1.73 -0.00 0.00 1.07 0.00 0.00 42.92 42.26 2nyi s ASP 44 CO 0.00 0.06 -0.13 0.12 1.18 0.00 0.00 175.17 176.40 2nyi s PHE 45 N -1.73 1.30 0.27 4.23 5.36 0.12 -1.75 117.98 125.79 2nyi s PHE 45 Ca 0.33 -0.32 0.00 0.00 -0.96 0.00 0.00 56.93 55.99 2nyi s PHE 45 Cb -0.11 -0.88 -0.03 0.00 -0.34 0.00 0.00 43.02 41.67 2nyi s PHE 45 CO 0.26 -0.09 0.27 0.00 -1.46 0.00 0.00 175.22 174.20 2nyi s ALA 46 N -0.04 1.20 -0.23 11.12 0.00 0.54 -1.82 121.76 132.55 2nyi s ALA 46 Ca -0.00 -1.72 -0.18 0.00 0.00 0.00 0.00 51.96 50.06 2nyi s ALA 46 Cb -0.08 1.35 0.06 0.00 0.00 0.00 0.00 23.12 24.45 2nyi s ALA 46 CO 0.01 -0.67 0.58 0.42 0.00 0.00 0.00 175.76 176.10 2nyi s ILE 48 N -3.72 -0.00 -0.01 0.00 1.01 -0.06 0.46 121.20 118.88 2nyi s ILE 48 Ca 0.37 0.01 0.01 0.00 0.00 0.00 0.00 60.65 61.04 2nyi s ILE 48 Cb 0.03 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.68 2nyi s ILE 48 CO 0.18 0.01 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 2nyi s VAL 49 N 0.71 0.24 -0.25 2.92 1.01 0.40 -1.46 120.40 123.97 2nyi s VAL 49 Ca -0.03 -0.10 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 2nyi s VAL 49 Cb -0.05 -0.23 -0.04 0.00 0.00 0.00 0.00 36.38 36.06 2nyi s VAL 49 CO -0.05 0.08 0.31 -0.76 0.00 0.00 0.00 175.10 174.69 2nyi s LEU 50 N 0.10 4.07 -0.07 3.92 1.43 -0.30 -0.27 118.68 127.56 2nyi s LEU 50 Ca -0.01 0.26 0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2nyi s LEU 50 Cb -0.03 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.84 2nyi s LEU 50 CO -0.00 -0.10 -0.24 -0.69 0.23 0.00 0.00 176.35 175.54 2nyi s VAL 51 N 1.71 2.09 -0.14 -1.59 1.01 0.86 0.51 120.40 124.86 2nyi s VAL 51 Ca 0.13 -1.04 -0.12 0.00 0.00 0.00 0.00 61.98 60.95 2nyi s VAL 51 Cb -0.15 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.41 2nyi s VAL 51 CO 0.09 0.57 0.26 -0.44 0.00 0.00 0.00 175.10 175.57 2nyi s SER 52 N -0.06 6.44 -0.21 3.32 0.01 0.33 -0.01 113.70 123.51 2nyi s SER 52 Ca -0.07 0.52 -0.21 0.00 1.31 0.00 0.00 55.95 57.51 2nyi s SER 52 Cb -0.15 -2.16 0.06 0.00 0.21 0.00 0.00 66.02 63.98 2nyi s SER 52 CO 0.05 0.20 0.59 -0.22 0.41 0.00 0.00 173.24 174.26 2nyi s LEU 53 N -0.02 -0.25 -1.24 2.44 2.96 -0.72 -0.94 118.68 120.91 2nyi s LEU 53 Ca 0.16 1.16 -0.19 0.00 -0.22 0.00 0.00 54.13 55.03 2nyi s LEU 53 Cb -0.13 2.03 0.06 0.00 0.50 0.00 0.00 46.19 48.64 2nyi s LEU 53 CO 0.04 -0.22 1.71 0.21 -1.32 0.00 0.00 176.35 176.77 2nyi s ASN 54 N 0.24 6.65 -0.03 3.68 3.04 -1.26 -0.90 114.94 126.36 2nyi s ASN 54 Ca -0.01 -2.22 -0.19 0.00 0.04 0.00 0.00 52.86 50.48 2nyi s ASN 54 Cb -0.04 -2.58 0.04 0.00 -1.54 0.00 0.00 41.25 37.13 2nyi s ASN 54 CO 0.01 -1.36 0.42 0.00 -3.04 0.00 0.00 177.10 173.13 2nyi s ALA 55 N 4.84 -1.08 -0.06 1.71 0.00 -1.26 -4.98 121.76 120.93 2nyi s ALA 55 Ca 0.54 0.66 0.13 0.00 0.00 0.00 0.00 51.96 53.28 2nyi s ALA 55 Cb 0.03 0.01 -0.09 0.00 0.00 0.00 0.00 23.12 23.07 2nyi s ALA 55 CO 0.05 -0.29 1.19 0.87 0.00 0.00 0.00 175.76 177.59 2nyi h LYS 56 N 3.72 0.00 -4.87 0.00 1.57 -1.92 -3.41 116.57 111.65 2nyi h LYS 56 Ca -0.29 0.00 -0.39 0.00 -1.87 0.00 0.00 60.65 58.10 2nyi h LYS 56 Cb 1.17 0.00 -0.14 0.00 0.08 0.00 0.00 32.23 33.34 2nyi h LYS 56 CO 0.39 0.61 -0.57 0.16 -0.57 0.00 0.00 179.45 179.46 2nyi s ASP 57 N -6.36 1.39 -0.15 0.86 1.47 -1.26 -4.97 116.67 107.65 2nyi s ASP 57 Ca 0.01 -1.51 0.13 0.00 1.18 0.00 0.00 52.55 52.36 2nyi s ASP 57 Cb 0.09 0.33 0.64 0.00 -0.34 0.00 0.00 42.92 43.64 2nyi s ASP 57 CO 0.79 -0.85 1.50 0.61 0.68 0.00 0.00 175.17 177.90 2nyi n GLY 58 N -0.54 2.52 0.31 2.12 0.00 -1.26 -4.54 105.19 103.80 2nyi n GLY 58 Ca 0.01 -0.73 -0.01 0.00 0.00 0.00 0.00 46.02 45.29 2nyi n GLY 58 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2nyi h LYS 59 N 3.30 0.95 -0.28 1.61 1.57 -1.97 0.11 116.57 121.85 2nyi h LYS 59 Ca 0.00 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.65 2nyi h LYS 59 Cb 1.52 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.61 2nyi h LYS 59 CO 0.32 0.63 -0.09 1.25 -0.57 0.00 0.00 179.45 180.98 2nyi h LEU 60 N 0.98 0.56 -0.01 2.94 5.85 -2.00 -1.42 115.31 122.21 2nyi h LEU 60 Ca 0.34 -0.38 0.02 0.00 0.84 0.00 0.00 57.88 58.70 2nyi h LEU 60 Cb 0.07 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.92 2nyi h LEU 60 CO -0.14 0.82 -0.15 0.40 -0.34 0.00 0.00 178.44 179.03 2nyi h ILE 61 N 0.30 0.63 -0.17 4.05 2.04 -1.74 -1.23 117.51 121.39 2nyi h ILE 61 Ca 0.07 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.94 2nyi h ILE 61 Cb 0.59 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2nyi h ILE 61 CO 0.03 0.00 0.05 -0.61 0.00 0.00 0.00 178.15 177.62 2nyi h GLN 62 N -0.25 0.13 -0.61 2.37 5.75 -0.73 -0.95 115.11 120.83 2nyi h GLN 62 Ca 0.05 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.51 2nyi h GLN 62 Cb 0.32 -0.03 -0.03 0.00 1.07 0.00 0.00 27.48 28.81 2nyi h GLN 62 CO -0.15 0.09 0.22 0.66 -2.65 0.00 0.00 178.83 177.00 2nyi h SER 63 N 0.13 0.85 -0.62 -0.69 4.64 -1.18 -0.45 113.55 116.23 2nyi h SER 63 Ca 0.07 -0.18 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2nyi h SER 63 Cb 0.05 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.89 2nyi h SER 63 CO -0.08 0.80 0.21 0.00 -0.87 0.00 0.00 176.83 176.89 2nyi h ALA 64 N 1.08 0.81 -0.22 5.18 0.00 -0.95 -2.03 119.26 123.13 2nyi h ALA 64 Ca 0.20 -0.20 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 2nyi h ALA 64 Cb 0.23 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2nyi h ALA 64 CO -0.01 0.47 -0.63 -0.07 0.00 0.00 0.00 179.25 179.00 2nyi h LEU 65 N 0.88 0.87 -1.09 0.00 3.38 -0.96 -1.45 115.31 116.94 2nyi h LEU 65 Ca 0.20 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.68 2nyi h LEU 65 Cb 0.27 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.72 2nyi h LEU 65 CO -0.01 1.29 0.61 -0.33 0.09 0.00 0.00 178.44 180.09 2nyi h GLU 66 N 0.56 1.22 -0.33 1.13 5.08 -0.94 0.12 114.58 121.44 2nyi h GLU 66 Ca -0.01 -0.08 -0.15 0.00 -1.00 0.00 0.00 59.36 58.13 2nyi h GLU 66 Cb 1.23 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 30.20 2nyi h GLU 66 CO 0.13 0.81 -0.38 1.03 -1.00 0.00 0.00 179.01 179.60 2nyi h SER 67 N 1.26 0.82 0.60 1.42 0.87 -1.23 -3.18 113.55 114.11 2nyi h SER 67 Ca 0.34 -0.37 -0.16 0.00 -1.23 0.00 0.00 61.79 60.37 2nyi h SER 67 Cb -0.14 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.57 2nyi h SER 67 CO -0.07 1.11 -0.72 0.00 -0.53 0.00 0.00 176.83 176.62 2nyi h ALA 68 N 0.93 0.77 -2.13 6.23 0.00 -0.84 -3.38 119.26 120.83 2nyi h ALA 68 Ca 0.05 -0.64 -0.57 0.00 0.00 0.00 0.00 54.91 53.76 2nyi h ALA 68 Cb 0.94 -0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.22 2nyi h ALA 68 CO 0.09 0.85 -0.82 1.28 0.00 0.00 0.00 179.25 180.65 2nyi n LEU 69 N -3.73 2.57 -4.76 0.00 4.77 0.39 -4.89 117.00 111.35 2nyi n LEU 69 Ca -0.02 -5.24 -0.40 0.00 -0.03 0.00 0.00 56.01 50.33 2nyi n LEU 69 Cb 0.70 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.70 2nyi n LEU 69 CO 0.44 2.16 1.05 -2.16 -1.33 0.00 0.00 177.39 177.55 2nyi s PRO 70 N -2.35 3.58 0.00 3.23 0.04 -1.22 -2.08 135.00 136.20 2nyi s PRO 70 Ca 0.41 2.37 0.00 0.00 0.04 0.00 0.00 61.00 63.82 2nyi s PRO 70 Cb 0.21 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 32.18 2nyi s PRO 70 CO -0.07 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.49 2nyi n GLY 71 N 0.61 1.98 3.89 0.56 0.00 -1.26 -5.03 105.19 105.94 2nyi n GLY 71 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 2nyi n GLY 71 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2nyi s PHE 72 N -2.93 3.53 -0.29 1.61 0.08 -0.88 -4.84 117.98 114.27 2nyi s PHE 72 Ca 0.00 0.55 -0.23 0.00 0.12 0.00 0.00 56.93 57.37 2nyi s PHE 72 Cb 0.00 -1.99 -0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2nyi s PHE 72 CO 0.00 0.53 0.77 -0.65 -0.10 0.00 0.00 175.22 175.76 2nyi s GLN 73 N -2.23 4.03 -0.03 0.44 -0.21 0.31 -4.92 119.66 117.05 2nyi s GLN 73 Ca 0.34 0.64 0.03 0.00 0.02 0.00 0.00 55.36 56.40 2nyi s GLN 73 Cb -0.13 -3.70 0.00 0.00 1.00 0.00 0.00 33.01 30.18 2nyi s GLN 73 CO 0.21 -0.60 -0.13 0.42 -2.12 0.00 0.00 175.29 173.07 2nyi s ILE 74 N 2.85 1.09 0.02 1.08 1.01 -1.26 -0.66 121.20 125.33 2nyi s ILE 74 Ca 0.32 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.47 2nyi s ILE 74 Cb -0.15 -0.95 -0.02 0.00 0.01 0.00 0.00 42.46 41.36 2nyi s ILE 74 CO 0.11 0.32 -0.09 -0.94 0.00 0.00 0.00 174.94 174.34 2nyi s SER 75 N 0.13 1.05 -0.03 3.58 1.04 -0.59 -4.99 113.70 113.88 2nyi s SER 75 Ca -0.04 -0.35 0.01 0.00 0.48 0.00 0.00 55.95 56.05 2nyi s SER 75 Cb -0.10 -0.05 0.02 0.00 0.10 0.00 0.00 66.02 65.99 2nyi s SER 75 CO 0.01 -0.02 -0.04 -0.89 0.98 0.00 0.00 173.24 173.28 2nyi s THR 76 N -0.74 0.44 0.12 2.02 2.01 -1.26 -1.15 115.64 117.07 2nyi s THR 76 Ca -0.02 -0.10 -0.12 0.00 0.31 0.00 0.00 61.69 61.77 2nyi s THR 76 Cb -0.06 -0.47 0.01 0.00 0.01 0.00 0.00 72.50 71.99 2nyi s THR 76 CO 0.00 0.19 0.29 0.00 -0.69 0.00 0.00 174.62 174.42 2nyi s ARG 77 N 0.75 0.99 0.33 4.92 1.70 -0.76 -4.86 118.95 122.03 2nyi s ARG 77 Ca -0.09 -0.89 -0.28 0.00 -0.47 0.00 0.00 55.73 53.99 2nyi s ARG 77 Cb -0.12 0.40 -0.12 0.00 -0.57 0.00 0.00 34.95 34.54 2nyi s ARG 77 CO -0.00 -0.36 1.34 -2.13 -1.08 0.00 0.00 175.30 173.07 2nyi n ARG 78 N -0.15 2.22 -4.37 3.89 3.00 -1.26 -0.65 116.66 119.33 2nyi n ARG 78 Ca -0.14 0.78 -0.26 0.00 -0.00 0.00 0.00 57.85 58.23 2nyi n ARG 78 Cb 0.63 -2.40 -0.09 0.00 0.00 0.00 0.00 32.46 30.60 2nyi n ARG 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2nyi s ALA 79 N -0.94 3.34 0.00 5.13 0.00 -0.31 -4.67 121.76 124.31 2nyi s ALA 79 Ca 0.57 -2.16 0.00 0.00 0.00 0.00 0.00 51.96 50.36 2nyi s ALA 79 Cb -0.56 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.41 2nyi s ALA 79 CO 0.60 -0.10 0.00 -1.13 0.00 0.00 0.00 175.76 175.13 2nyi n SER 80 N -1.07 0.00 0.00 0.00 3.41 -1.26 -4.61 113.62 110.09 2nyi n SER 80 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2nyi n SER 80 Cb 0.65 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.60 2nyi n SER 80 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2nyi n HIS 86 N 0.00 0.00 -4.40 7.33 -0.00 -1.26 -4.87 115.22 112.03 2nyi n HIS 86 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.72 57.44 2nyi n HIS 86 Cb 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 29.87 2nyi n HIS 86 CO 0.00 0.00 0.00 0.14 -0.00 0.00 0.00 176.34 176.48 2nyi s VAL 87 N 0.00 2.27 0.55 3.57 -7.23 -1.26 -5.14 120.40 113.16 2nyi s VAL 87 Ca 0.00 -1.87 -0.21 0.00 -1.81 0.00 0.00 61.98 58.08 2nyi s VAL 87 Cb 0.00 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.86 2nyi s VAL 87 CO 0.00 -0.02 1.28 -1.54 -0.31 0.00 0.00 175.10 174.52 2nyi n SER 88 N 0.62 2.31 -0.39 4.85 3.41 -1.26 -4.89 113.62 118.28 2nyi n SER 88 Ca -0.16 0.95 0.32 0.00 -0.26 0.00 0.00 58.87 59.72 2nyi n SER 88 Cb 0.54 -1.54 0.61 0.00 -0.26 0.00 0.00 64.21 63.57 2nyi n SER 88 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 2nyi h PRO 89 N 1.26 0.19 -0.03 4.33 0.11 -2.04 -0.91 132.00 134.92 2nyi h PRO 89 Ca -0.50 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.60 2nyi h PRO 89 Cb 1.32 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2nyi h PRO 89 CO 0.56 0.13 0.00 -0.40 -0.21 0.00 0.00 178.00 178.08 2nyi n ASP 90 N -4.56 1.79 -4.75 -2.05 5.75 -1.26 -4.87 116.55 106.60 2nyi n ASP 90 Ca 0.31 -1.60 -0.41 0.00 -0.01 0.00 0.00 54.79 53.07 2nyi n ASP 90 Cb 1.20 -0.01 -0.02 0.00 -1.03 0.00 0.00 41.12 41.27 2nyi n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2nyi s THR 91 N -1.98 2.30 0.13 2.12 2.01 -0.35 -1.01 115.64 118.86 2nyi s THR 91 Ca 0.36 0.26 0.06 0.00 0.31 0.00 0.00 61.69 62.68 2nyi s THR 91 Cb 0.21 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.51 2nyi s THR 91 CO 0.32 0.04 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.03 2nyi s ARG 92 N -0.66 1.06 0.07 4.92 1.81 -0.35 -4.85 118.95 120.96 2nyi s ARG 92 Ca 0.60 -1.29 -0.00 0.00 -1.72 0.00 0.00 55.73 53.32 2nyi s ARG 92 Cb -0.45 -0.91 -0.04 0.00 -0.45 0.00 0.00 34.95 33.09 2nyi s ARG 92 CO 0.48 0.17 0.23 -1.21 -0.68 0.00 0.00 175.30 174.29 2nyi s GLU 93 N -2.83 3.46 0.02 3.54 2.02 -1.26 -2.07 118.70 121.58 2nyi s GLU 93 Ca 0.11 -0.40 0.02 0.00 0.02 0.00 0.00 54.97 54.72 2nyi s GLU 93 Cb -0.04 -3.01 -0.01 0.00 0.10 0.00 0.00 34.13 31.16 2nyi s GLU 93 CO 0.03 0.59 -0.07 0.71 0.02 0.00 0.00 175.26 176.54 2nyi s TYR 94 N -1.54 0.65 -0.16 1.61 2.02 0.65 -0.44 117.35 120.14 2nyi s TYR 94 Ca 0.36 -0.26 -0.19 0.00 -0.37 0.00 0.00 57.07 56.60 2nyi s TYR 94 Cb -0.13 -0.40 -0.03 0.00 -0.40 0.00 0.00 41.96 40.99 2nyi s TYR 94 CO 0.28 -0.03 0.54 -1.21 -1.57 0.00 0.00 175.55 173.56 2nyi s GLU 95 N -0.73 4.26 -0.15 -0.62 0.41 0.38 -1.03 118.70 121.21 2nyi s GLU 95 Ca -0.02 0.50 -0.02 0.00 -0.41 0.00 0.00 54.97 55.02 2nyi s GLU 95 Cb -0.05 -3.52 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 2nyi s GLU 95 CO 0.00 -0.06 -0.09 -1.17 -0.49 0.00 0.00 175.26 173.46 2nyi s LEU 96 N 1.31 2.90 -0.02 1.80 2.96 0.95 -1.23 118.68 127.35 2nyi s LEU 96 Ca 0.27 -0.28 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 2nyi s LEU 96 Cb -0.16 -1.68 -0.00 0.00 0.50 0.00 0.00 46.19 44.85 2nyi s LEU 96 CO 0.11 0.14 -0.12 -0.47 -1.32 0.00 0.00 176.35 174.69 2nyi s TYR 97 N 0.53 1.14 -0.04 5.38 5.04 -0.02 -0.23 117.35 129.15 2nyi s TYR 97 Ca -0.06 -0.27 0.01 0.00 -2.44 0.00 0.00 57.07 54.31 2nyi s TYR 97 Cb -0.15 -0.77 0.02 0.00 0.35 0.00 0.00 41.96 41.41 2nyi s TYR 97 CO 0.03 -0.08 -0.05 0.08 -1.34 0.00 0.00 175.55 174.20 2nyi s VAL 98 N -0.04 0.55 -0.09 3.14 1.01 -1.26 -0.41 120.40 123.30 2nyi s VAL 98 Ca 0.00 -0.13 -0.06 0.00 0.00 0.00 0.00 61.98 61.79 2nyi s VAL 98 Cb -0.07 -0.57 0.03 0.00 0.00 0.00 0.00 36.38 35.77 2nyi s VAL 98 CO 0.00 0.23 0.21 -0.70 0.00 0.00 0.00 175.10 174.84 2nyi s GLU 99 N 0.89 0.20 0.00 2.72 2.12 -0.33 -4.20 118.70 120.10 2nyi s GLU 99 Ca -0.12 0.40 0.00 0.00 0.36 0.00 0.00 54.97 55.62 2nyi s GLU 99 Cb -0.14 -0.03 0.00 0.00 0.26 0.00 0.00 34.13 34.22 2nyi s GLU 99 CO 0.00 -0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2nyi n GLY 100 N 3.69 -1.45 3.72 -1.50 0.00 -0.78 -0.51 105.19 108.37 2nyi n GLY 100 Ca -0.20 -1.03 -0.43 0.00 0.00 0.00 0.00 46.02 44.36 2nyi n GLY 100 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2nyi n PRO 101 N -0.10 2.49 -2.18 1.61 -0.02 -1.26 -0.04 135.00 135.50 2nyi n PRO 101 Ca 0.00 0.89 -0.38 0.00 -2.02 0.00 0.00 63.50 61.99 2nyi n PRO 101 Cb 0.00 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 30.84 2nyi n PRO 101 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2nyi s ASP 102 N 0.48 6.18 0.17 2.55 2.15 0.79 -4.63 116.67 124.36 2nyi s ASP 102 Ca 0.66 2.42 -0.20 0.00 0.43 0.00 0.00 52.55 55.85 2nyi s ASP 102 Cb -0.55 -2.61 0.05 0.00 -0.30 0.00 0.00 42.92 39.51 2nyi s ASP 102 CO 0.48 -0.92 0.56 -0.94 -0.17 0.00 0.00 175.17 174.18 2nyi s SER 103 N -1.17 -0.42 0.47 -0.34 1.04 -1.26 -4.91 113.70 107.11 2nyi s SER 103 Ca 0.62 -0.21 0.16 0.00 0.48 0.00 0.00 55.95 57.00 2nyi s SER 103 Cb -0.32 0.59 1.09 0.00 0.10 0.00 0.00 66.02 67.48 2nyi s SER 103 CO 0.39 -1.00 2.02 -0.08 0.98 0.00 0.00 173.24 175.55 2nyi h GLU 104 N 2.10 0.00 -0.02 4.02 4.81 -2.03 -3.20 114.58 120.27 2nyi h GLU 104 Ca -0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.92 2nyi h GLU 104 Cb 1.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.66 2nyi h GLU 104 CO 0.38 0.15 -0.08 0.41 -0.73 0.00 0.00 179.01 179.14 2nyi n GLY 105 N -1.05 0.46 0.26 1.92 0.00 -1.26 -4.67 105.19 100.85 2nyi n GLY 105 Ca -0.02 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 2nyi n GLY 105 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2nyi h ILE 106 N 3.47 0.56 -0.29 -0.61 2.04 -1.98 -1.56 117.51 119.14 2nyi h ILE 106 Ca 0.00 -0.09 0.02 0.00 1.00 0.00 0.00 64.86 65.78 2nyi h ILE 106 Cb 0.79 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.45 2nyi h ILE 106 CO 0.00 0.02 0.16 0.58 0.00 0.00 0.00 178.15 178.91 2nyi h VAL 107 N -0.65 1.01 -0.83 1.67 2.07 -1.86 -1.38 116.25 116.28 2nyi h VAL 107 Ca -0.06 -0.11 0.09 0.00 0.82 0.00 0.00 66.70 67.44 2nyi h VAL 107 Cb 0.49 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.84 2nyi h VAL 107 CO 0.10 0.06 0.48 -0.08 0.02 0.00 0.00 177.57 178.15 2nyi h GLU 108 N 0.33 0.80 -0.32 1.57 4.22 -1.84 -0.52 114.58 118.80 2nyi h GLU 108 Ca 0.12 -0.05 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 2nyi h GLU 108 Cb 0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2nyi h GLU 108 CO -0.07 0.53 -0.07 0.00 -2.18 0.00 0.00 179.01 177.22 2nyi h ALA 109 N 1.45 0.44 -0.04 2.92 0.00 -0.68 0.10 119.26 123.46 2nyi h ALA 109 Ca 0.40 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2nyi h ALA 109 Cb 0.34 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 2nyi h ALA 109 CO -0.24 0.27 -0.01 0.28 0.00 0.00 0.00 179.25 179.55 2nyi h VAL 110 N 0.40 1.29 0.00 0.00 2.07 -1.07 -2.86 116.25 116.08 2nyi h VAL 110 Ca 0.08 -0.89 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 2nyi h VAL 110 Cb 0.56 1.82 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2nyi h VAL 110 CO 0.03 0.24 -0.32 0.71 0.02 0.00 0.00 177.57 178.25 2nyi h THR 111 N -0.28 1.09 -0.61 2.57 1.35 -1.13 -2.49 112.91 113.41 2nyi h THR 111 Ca 0.01 -1.16 0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2nyi h THR 111 Cb 0.39 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.43 2nyi h THR 111 CO 0.00 0.32 0.40 0.00 -0.25 0.00 0.00 175.52 176.00 2nyi h ALA 112 N 1.68 0.78 0.29 6.62 0.00 -0.66 -0.10 119.26 127.86 2nyi h ALA 112 Ca -0.00 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 2nyi h ALA 112 Cb 0.63 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2nyi h ALA 112 CO 0.04 0.20 -0.14 0.28 0.00 0.00 0.00 179.25 179.63 2nyi h VAL 113 N 0.82 0.72 -0.66 0.00 2.07 -1.23 -1.11 116.25 116.86 2nyi h VAL 113 Ca 0.23 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.76 2nyi h VAL 113 Cb -0.08 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 2nyi h VAL 113 CO -0.05 0.00 0.43 -0.07 0.02 0.00 0.00 177.57 177.89 2nyi h LEU 114 N -0.39 0.72 -0.28 2.57 3.38 -1.29 -1.70 115.31 118.33 2nyi h LEU 114 Ca -0.04 -0.01 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 2nyi h LEU 114 Cb 0.30 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2nyi h LEU 114 CO 0.06 0.51 -0.47 0.00 0.09 0.00 0.00 178.44 178.64 2nyi h ALA 115 N 1.26 0.43 -0.51 1.53 0.00 -0.93 -0.15 119.26 120.89 2nyi h ALA 115 Ca 0.25 -0.48 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2nyi h ALA 115 Cb -0.05 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 2nyi h ALA 115 CO -0.08 0.59 0.34 -0.22 0.00 0.00 0.00 179.25 179.88 2nyi h LYS 116 N 0.57 0.54 -0.01 0.00 3.64 -1.00 -1.26 116.57 119.06 2nyi h LYS 116 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2nyi h LYS 116 Cb 1.07 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.77 2nyi h LYS 116 CO 0.11 0.36 -0.07 1.63 -2.27 0.00 0.00 179.45 179.21 2nyi n LYS 117 N -4.47 1.23 -1.37 1.90 4.76 -0.66 -4.94 118.16 114.61 2nyi n LYS 117 Ca 0.06 -0.59 -0.08 0.00 -2.87 0.00 0.00 58.31 54.82 2nyi n LYS 117 Cb 0.16 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 2nyi n LYS 117 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2nyi n GLY 118 N 1.20 0.86 3.76 0.72 0.00 -0.48 -5.01 105.19 106.24 2nyi n GLY 118 Ca 0.18 -0.66 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 2nyi n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2nyi s ALA 119 N -2.31 3.36 -0.09 4.61 0.00 -0.13 -4.93 121.76 122.27 2nyi s ALA 119 Ca 0.00 0.93 -0.17 0.00 0.00 0.00 0.00 51.96 52.72 2nyi s ALA 119 Cb 0.00 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 2nyi s ALA 119 CO 0.00 -0.27 0.46 -0.80 0.00 0.00 0.00 175.76 175.16 2nyi s ASN 120 N -0.92 6.72 -0.24 0.00 0.01 -0.24 -4.62 114.94 115.64 2nyi s ASN 120 Ca 0.48 0.86 -0.17 0.00 -0.71 0.00 0.00 52.86 53.31 2nyi s ASN 120 Cb -0.32 -2.28 -0.03 0.00 0.41 0.00 0.00 41.25 39.03 2nyi s ASN 120 CO 0.41 0.08 0.47 -0.63 -1.51 0.00 0.00 177.10 175.93 2nyi s ILE 121 N 0.20 5.11 -0.20 0.60 1.01 -1.26 -0.93 121.20 125.73 2nyi s ILE 121 Ca 0.25 0.81 -0.00 0.00 0.00 0.00 0.00 60.65 61.71 2nyi s ILE 121 Cb -0.16 -3.79 -0.21 0.00 0.01 0.00 0.00 42.46 38.31 2nyi s ILE 121 CO 0.11 0.14 0.02 0.52 0.00 0.00 0.00 174.94 175.73 2nyi n VAL 122 N 4.91 1.60 -3.91 2.92 0.31 0.11 -4.99 118.33 119.28 2nyi n VAL 122 Ca -0.06 -0.62 -0.11 0.00 -0.01 0.00 0.00 64.34 63.55 2nyi n VAL 122 Cb 0.50 -1.50 -0.12 0.00 -0.91 0.00 0.00 33.84 31.82 2nyi n VAL 122 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2nyi s GLU 123 N -2.54 0.26 -0.24 5.55 2.02 -1.02 -4.96 118.70 117.77 2nyi s GLU 123 Ca -0.29 -0.32 -0.16 0.00 0.02 0.00 0.00 54.97 54.22 2nyi s GLU 123 Cb 0.08 0.10 0.07 0.00 0.10 0.00 0.00 34.13 34.48 2nyi s GLU 123 CO 0.68 -0.05 0.60 -1.17 0.02 0.00 0.00 175.26 175.33 2nyi s LEU 124 N -0.91 -0.54 -0.04 1.80 0.20 -1.26 -1.40 118.68 116.53 2nyi s LEU 124 Ca -0.10 1.28 -0.05 0.00 0.69 0.00 0.00 54.13 55.95 2nyi s LEU 124 Cb -0.06 2.05 0.01 0.00 -0.43 0.00 0.00 46.19 47.76 2nyi s LEU 124 CO -0.00 -0.22 0.12 -1.83 -0.29 0.00 0.00 176.35 174.13 2nyi s GLU 125 N 1.14 0.21 0.14 1.98 -1.05 -0.03 -5.02 118.70 116.08 2nyi s GLU 125 Ca -0.07 0.05 0.07 0.00 -0.15 0.00 0.00 54.97 54.87 2nyi s GLU 125 Cb -0.06 0.10 -0.04 0.00 -0.44 0.00 0.00 34.13 33.69 2nyi s GLU 125 CO -0.11 -0.03 -0.15 0.95 0.95 0.00 0.00 175.26 176.86 2nyi s THR 126 N -0.24 1.47 0.06 1.83 -4.23 -1.26 -0.94 115.64 112.33 2nyi s THR 126 Ca -0.03 -1.83 -0.11 0.00 -1.18 0.00 0.00 61.69 58.54 2nyi s THR 126 Cb -0.02 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.15 2nyi s THR 126 CO 0.00 -0.43 0.23 -1.83 -0.54 0.00 0.00 174.62 172.05 2nyi s GLU 127 N -2.85 0.77 -0.00 3.99 -1.05 0.04 -5.01 118.70 114.59 2nyi s GLU 127 Ca 0.12 -0.69 0.06 0.00 -0.15 0.00 0.00 54.97 54.32 2nyi s GLU 127 Cb -0.04 0.32 -0.02 0.00 -0.44 0.00 0.00 34.13 33.95 2nyi s GLU 127 CO 0.04 -0.24 -0.20 0.95 0.95 0.00 0.00 175.26 176.76 2nyi s THR 128 N -2.94 1.59 -0.36 1.83 -4.23 -1.26 -1.32 115.64 108.96 2nyi s THR 128 Ca -0.02 -0.94 0.00 0.00 -1.18 0.00 0.00 61.69 59.55 2nyi s THR 128 Cb 0.01 -1.34 0.12 0.00 1.34 0.00 0.00 72.50 72.62 2nyi s THR 128 CO -0.06 0.38 0.16 -0.76 -0.54 0.00 0.00 174.62 173.80 2nyi s LEU 129 N -0.65 2.34 0.27 4.79 1.43 0.24 -4.96 118.68 122.14 2nyi s LEU 129 Ca 0.08 -2.06 -0.31 0.00 -1.03 0.00 0.00 54.13 50.81 2nyi s LEU 129 Cb -0.08 -0.90 -0.12 0.00 0.03 0.00 0.00 46.19 45.12 2nyi s LEU 129 CO -0.00 -0.35 1.57 -2.65 0.23 0.00 0.00 176.35 175.15 2nyi n PRO 130 N 4.28 2.55 -1.20 1.29 -0.02 -1.26 -1.07 135.00 139.56 2nyi n PRO 130 Ca 0.03 0.91 -0.33 0.00 -2.02 0.00 0.00 63.50 62.09 2nyi n PRO 130 Cb 0.39 -2.67 0.11 0.00 -0.02 0.00 0.00 33.50 31.31 2nyi n PRO 130 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2nyi s ALA 131 N 0.13 1.95 0.57 3.55 0.00 0.14 -4.91 121.76 123.20 2nyi s ALA 131 Ca 0.66 0.71 0.25 0.00 0.00 0.00 0.00 51.96 53.59 2nyi s ALA 131 Cb -0.54 -3.44 1.64 0.00 0.00 0.00 0.00 23.12 20.78 2nyi s ALA 131 CO 0.47 -2.11 2.21 -1.35 0.00 0.00 0.00 175.76 174.98 2nyi h PRO 132 N -0.86 0.00 -6.20 0.00 0.11 -1.94 -3.43 132.00 119.68 2nyi h PRO 132 Ca -0.46 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.16 2nyi h PRO 132 Cb 1.28 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.35 2nyi h PRO 132 CO 0.48 0.00 -0.49 -0.59 -0.21 0.00 0.00 178.00 177.18 2nyi s PHE 133 N -4.78 3.06 0.61 0.65 -0.12 -1.26 -5.10 117.98 111.04 2nyi s PHE 133 Ca -0.05 -0.17 -0.18 0.00 -0.05 0.00 0.00 56.93 56.48 2nyi s PHE 133 Cb 0.16 -1.55 -0.03 0.00 -0.63 0.00 0.00 43.02 40.97 2nyi s PHE 133 CO 0.59 0.39 1.16 0.00 -0.05 0.00 0.00 175.22 177.31 2nyi s ALA 134 N -2.18 2.53 0.00 1.99 0.00 -1.26 -4.21 121.76 118.62 2nyi s ALA 134 Ca 0.36 0.83 0.00 0.00 0.00 0.00 0.00 51.96 53.15 2nyi s ALA 134 Cb -0.07 -3.39 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2nyi s ALA 134 CO 0.26 -1.14 0.00 0.41 0.00 0.00 0.00 175.76 175.29 2nyi n GLY 135 N 0.15 0.83 3.33 0.00 0.00 -1.26 -5.05 105.19 103.19 2nyi n GLY 135 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 2nyi n GLY 135 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2nyi s PHE 136 N -2.05 -0.66 -0.04 1.61 5.36 -1.26 -5.11 117.98 115.84 2nyi s PHE 136 Ca 0.00 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.37 2nyi s PHE 136 Cb 0.00 0.31 0.03 0.00 -0.34 0.00 0.00 43.02 43.01 2nyi s PHE 136 CO 0.00 -0.36 -0.01 0.99 -1.46 0.00 0.00 175.22 174.38 2nyi s THR 137 N 1.31 0.29 0.05 0.12 2.01 -1.26 -0.68 115.64 117.48 2nyi s THR 137 Ca -0.09 0.05 -0.24 0.00 0.31 0.00 0.00 61.69 61.73 2nyi s THR 137 Cb -0.07 -0.38 -0.06 0.00 0.01 0.00 0.00 72.50 71.99 2nyi s THR 137 CO -0.12 0.19 0.72 -0.22 -0.69 0.00 0.00 174.62 174.49 2nyi s LEU 138 N 1.21 4.46 -0.13 4.42 2.96 -0.23 -0.15 118.68 131.22 2nyi s LEU 138 Ca -0.07 1.40 -0.05 0.00 -0.22 0.00 0.00 54.13 55.19 2nyi s LEU 138 Cb -0.13 -3.16 -0.04 0.00 0.50 0.00 0.00 46.19 43.36 2nyi s LEU 138 CO -0.02 0.07 0.06 0.12 -1.32 0.00 0.00 176.35 175.26 2nyi s PHE 139 N -0.24 3.33 0.34 5.38 5.36 0.95 -0.59 117.98 132.51 2nyi s PHE 139 Ca 0.36 0.27 0.06 0.00 -0.96 0.00 0.00 56.93 56.66 2nyi s PHE 139 Cb -0.20 -1.92 -0.02 0.00 -0.34 0.00 0.00 43.02 40.53 2nyi s PHE 139 CO 0.22 0.47 0.20 0.54 -1.46 0.00 0.00 175.22 175.19 2nyi n ARG 140 N 2.50 0.48 -3.65 10.12 1.74 -0.43 -1.87 116.66 125.55 2nyi n ARG 140 Ca -0.18 -3.14 -0.02 0.00 -0.77 0.00 0.00 57.85 53.73 2nyi n ARG 140 Cb 0.54 2.16 -0.07 0.00 -1.02 0.00 0.00 32.46 34.07 2nyi n ARG 140 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2nyi s GLY 142 N -3.24 0.18 -0.01 -0.13 0.00 -0.12 -0.78 107.32 103.23 2nyi s GLY 142 Ca 0.29 3.29 -0.11 0.00 0.00 0.00 0.00 44.72 48.19 2nyi s GLY 142 CO 0.20 2.42 0.22 -0.45 0.00 0.00 0.00 173.10 175.50 2nyi s SER 143 N 0.91 -0.09 -0.17 1.64 0.15 0.68 -0.85 113.70 115.97 2nyi s SER 143 Ca -0.05 -0.04 -0.04 0.00 0.70 0.00 0.00 55.95 56.53 2nyi s SER 143 Cb -0.04 0.27 -0.02 0.00 -1.71 0.00 0.00 66.02 64.52 2nyi s SER 143 CO -0.12 -0.39 -0.04 -0.60 1.20 0.00 0.00 173.24 173.29 2nyi s ARG 144 N -1.29 3.60 0.21 5.44 3.52 -0.49 -0.04 118.95 129.90 2nyi s ARG 144 Ca -0.13 -0.55 0.07 0.00 -0.13 0.00 0.00 55.73 54.99 2nyi s ARG 144 Cb -0.06 -2.94 -0.05 0.00 -1.56 0.00 0.00 34.95 30.34 2nyi s ARG 144 CO 0.03 0.13 -0.13 0.14 -0.81 0.00 0.00 175.30 174.66 2nyi s VAL 145 N 0.64 1.69 -0.01 7.11 -7.23 -0.20 -0.71 120.40 121.69 2nyi s VAL 145 Ca -0.02 -2.19 0.01 0.00 -1.81 0.00 0.00 61.98 57.97 2nyi s VAL 145 Cb -0.14 -2.09 -0.00 0.00 0.56 0.00 0.00 36.38 34.70 2nyi s VAL 145 CO 0.02 -0.56 -0.04 0.00 -0.31 0.00 0.00 175.10 174.21 2nyi s ALA 146 N -3.00 0.37 0.11 1.32 0.00 -0.11 -0.26 121.76 120.20 2nyi s ALA 146 Ca 0.23 -0.16 -0.25 0.00 0.00 0.00 0.00 51.96 51.79 2nyi s ALA 146 Cb 0.00 -0.12 0.08 0.00 0.00 0.00 0.00 23.12 23.07 2nyi s ALA 146 CO 0.07 0.07 0.76 -0.59 0.00 0.00 0.00 175.76 176.07 2nyi s PHE 147 N 0.02 -0.39 0.18 0.00 -0.12 -0.88 -1.08 117.98 115.72 2nyi s PHE 147 Ca 0.00 0.17 -0.31 0.00 -0.05 0.00 0.00 56.93 56.74 2nyi s PHE 147 Cb -0.03 0.58 -0.10 0.00 -0.63 0.00 0.00 43.02 42.83 2nyi s PHE 147 CO -0.00 -0.78 1.56 -2.14 -0.05 0.00 0.00 175.22 173.81 2nyi s PRO 148 N -3.49 4.21 0.56 1.99 0.02 -1.26 -1.21 135.00 135.82 2nyi s PRO 148 Ca 0.05 2.38 0.28 0.00 0.02 0.00 0.00 61.00 63.73 2nyi s PRO 148 Cb -0.02 -3.14 1.46 0.00 0.02 0.00 0.00 34.50 32.83 2nyi s PRO 148 CO -0.08 -0.60 1.95 0.27 -0.33 0.00 0.00 177.00 178.21 2nyi h PHE 149 N 6.53 0.00 0.00 6.54 -5.15 -1.40 -1.39 116.94 122.06 2nyi h PHE 149 Ca -0.43 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.34 2nyi h PHE 149 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.38 2nyi h PHE 149 CO 0.64 0.00 0.00 -1.35 -2.00 0.00 0.00 178.31 175.60 2nyi h PRO 150 N 0.00 0.00 -0.00 6.09 0.11 -1.91 -1.59 132.00 134.71 2nyi h PRO 150 Ca 0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.38 2nyi h PRO 150 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2nyi h PRO 150 CO -0.00 0.00 -0.16 1.28 -0.21 0.00 0.00 178.00 178.90 2nyi n LEU 151 N -2.53 0.24 0.02 2.35 4.77 -0.52 -4.44 117.00 116.88 2nyi n LEU 151 Ca -0.02 0.25 -0.11 0.00 -0.03 0.00 0.00 56.01 56.10 2nyi n LEU 151 Cb 0.06 -0.35 -0.04 0.00 -2.33 0.00 0.00 43.42 40.75 2nyi n LEU 151 CO 0.14 0.05 0.66 0.22 -1.33 0.00 0.00 177.39 177.13 2nyi h TYR 152 N 0.11 -0.81 -0.79 -1.77 3.20 -1.46 -1.04 116.97 114.42 2nyi h TYR 152 Ca 0.00 0.03 0.01 0.00 3.14 0.00 0.00 58.73 61.91 2nyi h TYR 152 Cb 0.46 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.06 2nyi h TYR 152 CO 0.00 -0.38 0.52 0.37 -1.64 0.00 0.00 178.16 177.03 2nyi h GLN 153 N -0.39 1.04 -0.10 1.82 5.75 -1.82 -0.79 115.11 120.62 2nyi h GLN 153 Ca 0.09 -0.07 -0.09 0.00 -0.15 0.00 0.00 58.65 58.43 2nyi h GLN 153 Cb 0.52 -0.23 -0.01 0.00 1.07 0.00 0.00 27.48 28.83 2nyi h GLN 153 CO -0.32 0.69 -0.36 1.05 -2.65 0.00 0.00 178.83 177.25 2nyi h GLU 154 N 1.07 0.20 0.05 1.69 4.11 -1.73 -0.31 114.58 119.66 2nyi h GLU 154 Ca 0.29 -0.08 -0.00 0.00 0.07 0.00 0.00 59.36 59.63 2nyi h GLU 154 Cb -0.12 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2nyi h GLU 154 CO -0.06 0.54 -0.02 0.28 0.07 0.00 0.00 179.01 179.81 2nyi h VAL 155 N 0.18 1.11 -0.37 -1.06 2.07 -0.70 -1.07 116.25 116.40 2nyi h VAL 155 Ca 0.02 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.06 2nyi h VAL 155 Cb 0.72 1.46 -0.05 0.00 -1.52 0.00 0.00 31.29 31.90 2nyi h VAL 155 CO 0.05 0.13 0.09 0.58 0.02 0.00 0.00 177.57 178.45 2nyi h VAL 156 N -0.31 0.83 -0.63 2.57 2.07 -0.93 0.77 116.25 120.63 2nyi h VAL 156 Ca -0.01 -0.08 0.04 0.00 0.82 0.00 0.00 66.70 67.48 2nyi h VAL 156 Cb 0.27 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2nyi h VAL 156 CO 0.01 0.04 0.37 0.74 0.02 0.00 0.00 177.57 178.75 2nyi h THR 157 N 0.22 1.03 -0.55 2.57 2.02 -1.04 -0.51 112.91 116.65 2nyi h THR 157 Ca 0.17 -0.24 -0.05 0.00 0.77 0.00 0.00 66.41 67.06 2nyi h THR 157 Cb 0.19 0.25 -0.02 0.00 -1.74 0.00 0.00 68.15 66.83 2nyi h THR 157 CO -0.22 0.13 0.14 0.00 0.37 0.00 0.00 175.52 175.94 2nyi h ALA 158 N 1.30 0.73 -0.02 6.16 0.00 -0.54 -2.57 119.26 124.31 2nyi h ALA 158 Ca 0.27 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 2nyi h ALA 158 Cb 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2nyi h ALA 158 CO -0.14 0.43 -0.23 -0.07 0.00 0.00 0.00 179.25 179.24 2nyi h LEU 159 N 0.79 0.03 -1.65 0.00 3.38 -0.50 -2.64 115.31 114.71 2nyi h LEU 159 Ca 0.17 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2nyi h LEU 159 Cb 0.34 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2nyi h LEU 159 CO 0.00 0.27 -0.14 0.77 0.09 0.00 0.00 178.44 179.43 2nyi h SER 160 N 0.03 0.05 0.02 -0.43 4.64 -0.68 -1.18 113.55 116.01 2nyi h SER 160 Ca 0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 2nyi h SER 160 Cb 0.43 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 2nyi h SER 160 CO 0.03 0.19 -0.29 0.03 -0.87 0.00 0.00 176.83 175.93 2nyi h ARG 161 N 0.05 0.40 -0.37 4.77 3.08 -1.43 -2.00 114.38 118.88 2nyi h ARG 161 Ca 0.01 -0.16 -0.16 0.00 0.07 0.00 0.00 59.98 59.75 2nyi h ARG 161 Cb 0.27 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2nyi h ARG 161 CO 0.02 0.65 -0.39 0.28 -1.07 0.00 0.00 179.97 179.46 2nyi h VAL 162 N 0.35 1.27 -0.66 2.04 2.07 -1.29 -0.92 116.25 119.12 2nyi h VAL 162 Ca 0.05 -1.56 0.05 0.00 0.82 0.00 0.00 66.70 66.06 2nyi h VAL 162 Cb 0.69 1.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.80 2nyi h VAL 162 CO 0.05 0.52 0.38 -0.33 0.02 0.00 0.00 177.57 178.22 2nyi h GLU 163 N 0.74 0.70 -0.01 1.57 5.08 -1.06 -1.42 114.58 120.17 2nyi h GLU 163 Ca 0.06 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2nyi h GLU 163 Cb 0.98 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2nyi h GLU 163 CO 0.09 0.46 0.00 1.49 -1.00 0.00 0.00 179.01 180.06 2nyi h GLU 164 N 0.72 0.03 -0.51 2.33 4.81 -1.17 0.74 114.58 121.53 2nyi h GLU 164 Ca 0.29 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 2nyi h GLU 164 Cb 0.14 -0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.49 2nyi h GLU 164 CO -0.16 0.33 0.19 1.49 -0.73 0.00 0.00 179.01 180.13 2nyi h GLU 165 N -0.28 0.73 -0.00 1.92 4.81 -1.00 -3.30 114.58 117.46 2nyi h GLU 165 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2nyi h GLU 165 Cb 0.31 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.56 2nyi h GLU 165 CO 0.00 0.61 -0.20 1.19 -0.73 0.00 0.00 179.01 179.88 2nyi n PHE 166 N -4.34 0.00 -3.19 0.92 3.72 -0.55 -5.00 117.46 109.01 2nyi n PHE 166 Ca 0.04 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.24 2nyi n PHE 166 Cb 0.16 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.75 2nyi n PHE 166 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2nyi n GLY 167 N 0.87 -0.36 3.70 1.37 0.00 0.24 -4.75 105.19 106.27 2nyi n GLY 167 Ca 0.03 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 2nyi n GLY 167 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2nyi s VAL 168 N -3.19 3.90 -0.14 1.61 -7.23 -1.16 -4.37 120.40 109.81 2nyi s VAL 168 Ca 0.39 -1.43 -0.15 0.00 -1.81 0.00 0.00 61.98 58.98 2nyi s VAL 168 Cb -0.17 -3.00 -0.05 0.00 0.56 0.00 0.00 36.38 33.72 2nyi s VAL 168 CO 0.48 -0.18 0.34 -1.81 -0.31 0.00 0.00 175.10 173.63 2nyi s ASP 169 N -3.19 6.52 -0.11 4.85 1.01 0.34 -4.43 116.67 121.66 2nyi s ASP 169 Ca 0.29 0.61 0.01 0.00 0.71 0.00 0.00 52.55 54.17 2nyi s ASP 169 Cb -0.09 -2.21 0.02 0.00 1.01 0.00 0.00 42.92 41.65 2nyi s ASP 169 CO 0.20 0.09 -0.13 -0.63 0.21 0.00 0.00 175.17 174.92 2nyi s ILE 170 N 0.38 1.34 -0.03 0.77 1.01 -1.26 -1.19 121.20 122.23 2nyi s ILE 170 Ca 0.19 -0.53 0.06 0.00 0.00 0.00 0.00 60.65 60.37 2nyi s ILE 170 Cb -0.14 -1.26 -0.02 0.00 0.01 0.00 0.00 42.46 41.05 2nyi s ILE 170 CO 0.06 0.41 -0.20 -1.81 0.00 0.00 0.00 174.94 173.40 2nyi s ASP 171 N 1.18 3.57 -0.14 3.58 1.01 0.45 -4.98 116.67 121.34 2nyi s ASP 171 Ca -0.03 -0.34 -0.03 0.00 0.71 0.00 0.00 52.55 52.86 2nyi s ASP 171 Cb -0.14 -0.60 0.05 0.00 1.01 0.00 0.00 42.92 43.24 2nyi s ASP 171 CO -0.04 0.33 0.05 -0.22 0.21 0.00 0.00 175.17 175.49 2nyi s LEU 172 N -0.75 0.69 -0.06 1.23 2.96 -1.26 -0.84 118.68 120.66 2nyi s LEU 172 Ca 0.11 -0.50 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2nyi s LEU 172 Cb -0.10 -0.41 0.01 0.00 0.50 0.00 0.00 46.19 46.19 2nyi s LEU 172 CO 0.00 -0.29 -0.11 -1.61 -1.32 0.00 0.00 176.35 173.03 2nyi s GLU 173 N 2.00 1.48 0.28 1.98 2.02 -0.36 -4.96 118.70 121.13 2nyi s GLU 173 Ca 0.02 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.34 2nyi s GLU 173 Cb -0.15 -1.26 -0.12 0.00 0.10 0.00 0.00 34.13 32.70 2nyi s GLU 173 CO -0.07 0.03 1.57 -1.91 0.02 0.00 0.00 175.26 174.90 2nyi n GLU 174 N 3.74 2.59 -2.26 1.61 2.13 -1.26 -0.47 120.64 126.72 2nyi n GLU 174 Ca -0.23 0.92 -0.41 0.00 0.66 0.00 0.00 57.16 58.10 2nyi n GLU 174 Cb 0.52 -2.68 -0.03 0.00 0.27 0.00 0.00 31.44 29.51 2nyi n GLU 174 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2nyi s VAL 175 N -0.01 3.33 -2.00 6.31 1.01 0.42 -4.81 120.40 124.65 2nyi s VAL 175 Ca 0.65 1.09 0.06 0.00 0.00 0.00 0.00 61.98 63.78 2nyi s VAL 175 Cb -0.52 -3.70 0.18 0.00 0.00 0.00 0.00 36.38 32.34 2nyi s VAL 175 CO 0.49 0.16 0.84 1.33 0.00 0.00 0.00 175.10 177.91