#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdr s ARG 2 N 0.00 3.46 -0.03 3.17 3.52 -1.26 -1.17 118.95 126.63 2wdr s ARG 2 Ca 0.00 -0.32 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 2wdr s ARG 2 Cb 0.00 -3.07 -0.01 0.00 -1.56 0.00 0.00 34.95 30.31 2wdr s ARG 2 CO 0.00 0.65 -0.24 -0.51 -0.81 0.00 0.00 175.30 174.39 2wdr s LEU 3 N -2.10 2.04 -0.09 -0.88 1.43 0.30 -4.92 118.68 114.46 2wdr s LEU 3 Ca 0.30 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 52.98 2wdr s LEU 3 Cb -0.13 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.82 2wdr s LEU 3 CO 0.21 0.27 -0.21 -1.61 0.23 0.00 0.00 176.35 175.24 2wdr s GLU 4 N -0.39 2.89 0.17 1.70 2.02 -1.26 -0.33 118.70 123.50 2wdr s GLU 4 Ca 0.04 -0.82 0.11 0.00 0.02 0.00 0.00 54.97 54.32 2wdr s GLU 4 Cb -0.11 -2.34 -0.04 0.00 0.10 0.00 0.00 34.13 31.74 2wdr s GLU 4 CO 0.01 0.31 -0.24 -0.06 0.02 0.00 0.00 175.26 175.29 2wdr s PHE 5 N 0.05 2.26 -0.24 1.61 0.08 0.19 -1.24 117.98 120.69 2wdr s PHE 5 Ca -0.08 -0.37 0.01 0.00 0.12 0.00 0.00 56.93 56.60 2wdr s PHE 5 Cb -0.15 -1.15 0.06 0.00 -0.57 0.00 0.00 43.02 41.21 2wdr s PHE 5 CO 0.05 0.44 -0.05 0.45 -0.10 0.00 0.00 175.22 176.02 2wdr s SER 6 N -2.50 3.87 -0.06 1.36 0.15 -0.18 -0.65 113.70 115.69 2wdr s SER 6 Ca 0.18 -1.21 0.04 0.00 0.70 0.00 0.00 55.95 55.67 2wdr s SER 6 Cb -0.08 -1.18 -0.02 0.00 -1.71 0.00 0.00 66.02 63.03 2wdr s SER 6 CO 0.09 -0.24 -0.17 -0.63 1.20 0.00 0.00 173.24 173.48 2wdr s ILE 7 N 1.39 2.79 0.16 6.45 1.01 0.26 -0.70 121.20 132.56 2wdr s ILE 7 Ca -0.05 -0.81 -0.32 0.00 0.00 0.00 0.00 60.65 59.47 2wdr s ILE 7 Cb -0.19 -2.08 -0.10 0.00 0.01 0.00 0.00 42.46 40.10 2wdr s ILE 7 CO -0.07 0.58 1.61 -0.47 0.00 0.00 0.00 174.94 176.59 2wdr s TYR 8 N -0.47 2.94 0.03 3.97 5.04 -0.67 -0.61 117.35 127.57 2wdr s TYR 8 Ca 0.06 0.53 0.07 0.00 -2.44 0.00 0.00 57.07 55.28 2wdr s TYR 8 Cb -0.12 -3.97 -0.02 0.00 0.35 0.00 0.00 41.96 38.20 2wdr s TYR 8 CO 0.01 -3.66 -0.19 1.03 -1.34 0.00 0.00 175.55 171.40 2wdr s ARG 9 N 1.35 1.36 -0.29 4.97 1.81 0.77 -4.50 118.95 124.41 2wdr s ARG 9 Ca 0.72 -0.86 -0.14 0.00 -1.72 0.00 0.00 55.73 53.72 2wdr s ARG 9 Cb -0.44 -1.42 0.14 0.00 -0.45 0.00 0.00 34.95 32.77 2wdr s ARG 9 CO 0.32 0.37 0.88 -0.47 -0.68 0.00 0.00 175.30 175.71 2wdr s TYR 10 N -0.73 -0.83 -0.18 -0.53 5.04 -1.26 -1.79 117.35 117.06 2wdr s TYR 10 Ca 0.07 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.20 2wdr s TYR 10 Cb -0.08 0.50 0.06 0.00 0.35 0.00 0.00 41.96 42.78 2wdr s TYR 10 CO 0.01 -0.41 0.03 1.21 -1.34 0.00 0.00 175.55 175.05 2wdr s ASN 11 N 2.10 2.77 0.48 4.32 2.47 -1.26 -1.21 114.94 124.60 2wdr s ASN 11 Ca -0.06 -0.74 0.31 0.00 0.42 0.00 0.00 52.86 52.79 2wdr s ASN 11 Cb -0.06 -0.60 1.40 0.00 -1.45 0.00 0.00 41.25 40.54 2wdr s ASN 11 CO -0.17 -0.29 1.74 -0.65 -3.72 0.00 0.00 177.10 174.01 2wdr h PRO 12 N 8.25 0.14 -0.00 0.43 0.11 -1.85 0.52 132.00 139.59 2wdr h PRO 12 Ca -0.17 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2wdr h PRO 12 Cb 1.12 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.20 2wdr h PRO 12 CO 0.33 0.09 -0.10 -0.25 -0.21 0.00 0.00 178.00 177.87 2wdr n ASP 13 N -4.39 0.23 0.00 -2.05 8.00 -1.26 -4.29 116.55 112.79 2wdr n ASP 13 Ca 0.29 -0.17 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2wdr n ASP 13 Cb 1.22 -0.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.13 2wdr n ASP 13 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 2wdr n VAL 14 N -1.23 0.00 -3.42 2.53 0.31 0.77 -5.07 118.33 112.22 2wdr n VAL 14 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.07 2wdr n VAL 14 Cb 0.29 -0.35 -0.07 0.00 -0.91 0.00 0.00 33.84 32.79 2wdr n VAL 14 CO 0.00 0.00 0.00 -1.81 -1.32 0.00 0.00 176.83 173.70 2wdr s ASP 15 N -3.72 6.50 0.11 4.52 1.01 0.15 -4.96 116.67 120.27 2wdr s ASP 15 Ca 0.00 0.59 -0.15 0.00 0.71 0.00 0.00 52.55 53.69 2wdr s ASP 15 Cb 0.00 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.66 2wdr s ASP 15 CO 0.00 0.00 1.52 -0.78 0.21 0.00 0.00 175.17 176.12 2wdr h ASP 16 N 6.98 0.67 -5.69 0.27 1.82 -1.89 -3.42 116.42 115.16 2wdr h ASP 16 Ca -0.39 -0.35 -0.32 0.00 -0.39 0.00 0.00 57.03 55.58 2wdr h ASP 16 Cb 1.17 -0.18 -0.13 0.00 0.68 0.00 0.00 39.33 40.86 2wdr h ASP 16 CO 0.74 0.86 -0.50 0.00 -1.61 0.00 0.00 179.24 178.73 2wdr s ALA 17 N -4.83 1.33 1.15 -0.78 0.00 -1.26 -5.12 121.76 112.25 2wdr s ALA 17 Ca -0.13 -1.79 -0.16 0.00 0.00 0.00 0.00 51.96 49.89 2wdr s ALA 17 Cb 0.09 1.39 0.26 0.00 0.00 0.00 0.00 23.12 24.86 2wdr s ALA 17 CO 0.79 -0.65 1.07 -2.14 0.00 0.00 0.00 175.76 174.83 2wdr s PRO 18 N -3.78 -0.81 -0.08 0.00 0.02 -1.26 -4.91 135.00 124.18 2wdr s PRO 18 Ca 0.38 0.33 -0.30 0.00 0.02 0.00 0.00 61.00 61.43 2wdr s PRO 18 Cb 0.04 -1.61 0.10 0.00 0.02 0.00 0.00 34.50 33.06 2wdr s PRO 18 CO 0.19 -3.52 0.88 -0.98 -0.33 0.00 0.00 177.00 173.23 2wdr s ARG 19 N -5.02 0.79 -0.19 5.54 1.70 -0.74 -4.99 118.95 116.05 2wdr s ARG 19 Ca 0.68 0.05 -0.15 0.00 -0.47 0.00 0.00 55.73 55.84 2wdr s ARG 19 Cb -0.16 0.37 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 2wdr s ARG 19 CO 0.59 -0.28 0.35 -1.64 -1.08 0.00 0.00 175.30 173.23 2wdr s MET 20 N -1.70 4.20 0.05 3.89 -1.94 -1.26 -0.16 119.30 122.38 2wdr s MET 20 Ca -0.02 0.14 0.06 0.00 -1.71 0.00 0.00 55.69 54.15 2wdr s MET 20 Cb -0.00 -3.50 -0.04 0.00 2.01 0.00 0.00 34.83 33.30 2wdr s MET 20 CO 0.01 0.07 -0.12 -1.14 -0.01 0.00 0.00 175.02 173.83 2wdr s GLN 21 N 0.98 2.23 0.14 2.03 0.74 0.21 -4.88 119.66 121.12 2wdr s GLN 21 Ca 0.17 -0.92 -0.22 0.00 0.05 0.00 0.00 55.36 54.45 2wdr s GLN 21 Cb -0.14 -2.32 -0.07 0.00 1.10 0.00 0.00 33.01 31.57 2wdr s GLN 21 CO 0.06 0.55 0.68 -0.51 -0.55 0.00 0.00 175.29 175.52 2wdr s ASP 22 N -1.71 7.21 0.02 6.67 1.01 -1.26 -0.58 116.67 128.03 2wdr s ASP 22 Ca 0.18 1.45 0.01 0.00 0.71 0.00 0.00 52.55 54.90 2wdr s ASP 22 Cb -0.11 -2.43 -0.02 0.00 1.01 0.00 0.00 42.92 41.38 2wdr s ASP 22 CO 0.09 0.21 -0.05 -0.31 0.21 0.00 0.00 175.17 175.32 2wdr s TYR 23 N -1.19 0.42 -0.03 4.23 2.02 0.17 -4.96 117.35 118.01 2wdr s TYR 23 Ca 0.34 -0.39 0.05 0.00 -0.37 0.00 0.00 57.07 56.70 2wdr s TYR 23 Cb -0.21 -0.27 -0.01 0.00 -0.40 0.00 0.00 41.96 41.08 2wdr s TYR 23 CO 0.23 -0.10 -0.19 0.99 -1.57 0.00 0.00 175.55 174.90 2wdr s THR 24 N -1.06 1.57 -0.05 -0.71 2.01 -1.26 0.53 115.64 116.66 2wdr s THR 24 Ca -0.09 -0.81 -0.00 0.00 0.31 0.00 0.00 61.69 61.09 2wdr s THR 24 Cb -0.08 -1.33 0.03 0.00 0.01 0.00 0.00 72.50 71.13 2wdr s THR 24 CO -0.00 0.45 -0.02 -0.22 -0.69 0.00 0.00 174.62 174.14 2wdr s LEU 25 N -0.18 1.00 -0.22 4.42 2.96 0.55 -4.97 118.68 122.23 2wdr s LEU 25 Ca 0.01 -0.09 -0.29 0.00 -0.22 0.00 0.00 54.13 53.53 2wdr s LEU 25 Cb -0.10 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.17 2wdr s LEU 25 CO 0.01 -0.12 1.36 -1.61 -1.32 0.00 0.00 176.35 174.67 2wdr s GLU 26 N 1.36 4.02 -0.11 1.98 0.41 -1.26 -0.54 118.70 124.57 2wdr s GLU 26 Ca -0.04 1.52 0.01 0.00 -0.41 0.00 0.00 54.97 56.05 2wdr s GLU 26 Cb -0.13 -3.87 -0.02 0.00 -1.78 0.00 0.00 34.13 28.33 2wdr s GLU 26 CO -0.02 -0.99 -0.15 0.00 -0.49 0.00 0.00 175.26 173.61 2wdr s ALA 27 N 4.18 2.57 -0.29 5.21 0.00 -0.32 -4.98 121.76 128.13 2wdr s ALA 27 Ca 0.59 -0.92 -0.35 0.00 0.00 0.00 0.00 51.96 51.28 2wdr s ALA 27 Cb -0.21 -1.10 -0.11 0.00 0.00 0.00 0.00 23.12 21.70 2wdr s ALA 27 CO 0.21 0.32 2.10 -3.47 0.00 0.00 0.00 175.76 174.93 2wdr n ASP 28 N 3.26 2.48 -0.01 0.00 -0.08 -1.26 -3.06 116.55 117.88 2wdr n ASP 28 Ca -0.18 0.54 -0.10 0.00 -1.51 0.00 0.00 54.79 53.54 2wdr n ASP 28 Cb 0.53 -1.30 -0.05 0.00 2.34 0.00 0.00 41.12 42.64 2wdr n ASP 28 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 2wdr h GLU 29 N 11.67 0.10 -0.15 -0.67 4.81 -1.97 -3.02 114.58 125.34 2wdr h GLU 29 Ca -0.34 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.88 2wdr h GLU 29 Cb 1.30 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.65 2wdr h GLU 29 CO 1.00 0.07 0.09 0.78 -0.73 0.00 0.00 179.01 180.21 2wdr h GLY 30 N 0.10 0.22 -2.42 1.92 0.00 -2.01 -3.44 103.07 97.44 2wdr h GLY 30 Ca 0.05 -0.10 -0.47 0.00 0.00 0.00 0.00 47.33 46.81 2wdr h GLY 30 CO -0.05 0.10 0.38 -1.60 0.00 0.00 0.00 176.54 175.37 2wdr s ARG 31 N -5.91 4.10 0.06 4.80 3.52 -1.14 -5.08 118.95 119.30 2wdr s ARG 31 Ca -0.13 1.36 0.02 0.00 -0.13 0.00 0.00 55.73 56.85 2wdr s ARG 31 Cb 0.07 -2.35 -0.04 0.00 -1.56 0.00 0.00 34.95 31.07 2wdr s ARG 31 CO 0.69 -0.17 0.09 0.34 -0.81 0.00 0.00 175.30 175.44 2wdr s ASP 32 N -1.83 5.62 0.37 -2.12 2.15 -1.26 -4.77 116.67 114.83 2wdr s ASP 32 Ca 0.61 0.04 0.04 0.00 0.43 0.00 0.00 52.55 53.68 2wdr s ASP 32 Cb -0.17 -1.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.87 2wdr s ASP 32 CO 0.22 0.19 0.16 0.00 -0.17 0.00 0.00 175.17 175.57 2wdr s MET 33 N -2.26 1.83 0.21 4.34 0.23 -1.26 -5.02 119.30 117.38 2wdr s MET 33 Ca 0.28 -2.09 0.00 0.00 -1.03 0.00 0.00 55.69 52.86 2wdr s MET 33 Cb -0.12 -0.35 -0.04 0.00 -1.53 0.00 0.00 34.83 32.78 2wdr s MET 33 CO 0.21 -0.50 0.39 -1.64 -2.03 0.00 0.00 175.02 171.45 2wdr s MET 34 N -3.69 3.50 0.36 3.16 -1.94 -1.26 0.19 119.30 119.62 2wdr s MET 34 Ca 0.29 -0.41 0.05 0.00 -1.71 0.00 0.00 55.69 53.91 2wdr s MET 34 Cb 0.03 -2.84 0.71 0.00 2.01 0.00 0.00 34.83 34.74 2wdr s MET 34 CO 0.17 0.40 1.97 1.25 -0.01 0.00 0.00 175.02 178.80 2wdr h LEU 35 N 1.82 0.68 -1.18 -0.03 5.85 -0.47 -0.29 115.31 121.70 2wdr h LEU 35 Ca -0.49 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.18 2wdr h LEU 35 Cb 1.20 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 42.06 2wdr h LEU 35 CO 0.67 0.46 -0.02 0.25 -0.34 0.00 0.00 178.44 179.46 2wdr h LEU 36 N 0.79 0.52 -0.19 2.25 5.85 -1.67 -0.51 115.31 122.35 2wdr h LEU 36 Ca 0.29 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.95 2wdr h LEU 36 Cb 0.15 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 2wdr h LEU 36 CO -0.09 0.60 -0.14 0.44 -0.34 0.00 0.00 178.44 178.91 2wdr h ASP 37 N 0.53 -0.45 -0.14 1.25 3.32 -1.35 -0.78 116.42 118.80 2wdr h ASP 37 Ca 0.11 0.09 0.02 0.00 0.02 0.00 0.00 57.03 57.28 2wdr h ASP 37 Cb 0.36 0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.12 2wdr h ASP 37 CO 0.01 -0.18 -0.01 0.00 -1.72 0.00 0.00 179.24 177.34 2wdr h ALA 38 N 0.98 0.11 -0.71 3.45 0.00 -1.02 -2.01 119.26 120.06 2wdr h ALA 38 Ca 0.11 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.15 2wdr h ALA 38 Cb 0.31 0.08 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2wdr h ALA 38 CO -0.27 -0.46 0.36 -0.07 0.00 0.00 0.00 179.25 178.81 2wdr h LEU 39 N 0.03 0.49 -0.85 0.00 3.38 -0.85 0.42 115.31 117.92 2wdr h LEU 39 Ca 0.07 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.01 2wdr h LEU 39 Cb 0.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wdr h LEU 39 CO -0.12 0.28 0.00 0.40 0.09 0.00 0.00 178.44 179.09 2wdr h ILE 40 N 0.63 1.25 -0.13 1.22 2.04 -0.88 -1.84 117.51 119.79 2wdr h ILE 40 Ca 0.35 -1.04 -0.17 0.00 1.00 0.00 0.00 64.86 64.99 2wdr h ILE 40 Cb 0.34 0.86 0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2wdr h ILE 40 CO -0.26 0.37 -0.60 1.56 0.00 0.00 0.00 178.15 179.23 2wdr h GLN 41 N 0.79 0.64 -0.72 2.37 4.20 -0.53 -2.82 115.11 119.04 2wdr h GLN 41 Ca 0.15 -0.51 0.14 0.00 0.06 0.00 0.00 58.65 58.49 2wdr h GLN 41 Cb 0.48 0.10 -0.05 0.00 0.30 0.00 0.00 27.48 28.31 2wdr h GLN 41 CO 0.02 1.13 0.48 -0.07 -0.67 0.00 0.00 178.83 179.73 2wdr h LEU 42 N 0.30 0.36 -1.02 1.46 3.38 0.02 -1.57 115.31 118.24 2wdr h LEU 42 Ca -0.04 0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2wdr h LEU 42 Cb 1.23 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.92 2wdr h LEU 42 CO 0.12 0.19 -0.44 0.50 0.09 0.00 0.00 178.44 178.90 2wdr h LYS 43 N 0.38 0.00 -0.47 1.13 3.64 -1.09 0.39 116.57 120.55 2wdr h LYS 43 Ca 0.35 0.00 -0.04 0.00 -1.27 0.00 0.00 60.65 59.69 2wdr h LYS 43 Cb 0.82 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.62 2wdr h LYS 43 CO -0.10 0.44 0.13 0.93 -2.27 0.00 0.00 179.45 178.58 2wdr h GLU 44 N 0.00 0.74 -0.12 1.90 5.08 -1.14 -2.27 114.58 118.77 2wdr h GLU 44 Ca -0.00 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.04 2wdr h GLU 44 Cb 0.87 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 30.03 2wdr h GLU 44 CO 0.06 0.71 -0.51 -0.22 -1.00 0.00 0.00 179.01 178.05 2wdr h LYS 45 N 0.62 0.55 -4.28 2.33 3.64 -1.25 -3.40 116.57 114.79 2wdr h LYS 45 Ca 0.15 -0.44 -0.64 0.00 -1.27 0.00 0.00 60.65 58.46 2wdr h LYS 45 Cb 0.29 0.09 -0.40 0.00 -0.41 0.00 0.00 32.23 31.80 2wdr h LYS 45 CO -0.00 1.06 -0.73 0.34 -2.27 0.00 0.00 179.45 177.85 2wdr s ASP 46 N -6.69 4.52 0.07 4.20 2.15 0.13 -4.99 116.67 116.05 2wdr s ASP 46 Ca -0.13 -2.07 0.16 0.00 0.43 0.00 0.00 52.55 50.95 2wdr s ASP 46 Cb 0.06 -1.41 0.69 0.00 -0.30 0.00 0.00 42.92 41.96 2wdr s ASP 46 CO 0.83 -0.38 1.50 -2.65 -0.17 0.00 0.00 175.17 174.30 2wdr n PRO 47 N 4.34 0.05 0.03 4.34 -0.02 -0.86 -2.79 135.00 140.11 2wdr n PRO 47 Ca 0.03 0.32 0.13 0.00 -2.02 0.00 0.00 63.50 61.96 2wdr n PRO 47 Cb 0.41 -1.61 0.54 0.00 -0.02 0.00 0.00 33.50 32.83 2wdr n PRO 47 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2wdr n SER 48 N -1.71 0.26 -4.61 2.55 3.41 -1.26 -4.82 113.62 107.44 2wdr n SER 48 Ca 0.03 0.53 -0.43 0.00 -0.26 0.00 0.00 58.87 58.73 2wdr n SER 48 Cb 0.17 -0.59 -0.02 0.00 -0.26 0.00 0.00 64.21 63.50 2wdr n SER 48 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 2wdr s LEU 49 N -3.49 3.71 -0.20 1.04 2.96 -1.12 -4.99 118.68 116.59 2wdr s LEU 49 Ca 0.13 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 54.99 2wdr s LEU 49 Cb 0.17 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.27 2wdr s LEU 49 CO 0.54 -1.32 0.12 -0.44 -1.32 0.00 0.00 176.35 173.94 2wdr s SER 50 N 3.71 6.16 0.24 3.68 0.01 -1.26 -4.91 113.70 121.33 2wdr s SER 50 Ca 0.62 0.22 -0.14 0.00 1.31 0.00 0.00 55.95 57.96 2wdr s SER 50 Cb -0.16 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 63.99 2wdr s SER 50 CO 0.29 0.19 0.50 0.72 0.41 0.00 0.00 173.24 175.35 2wdr s PHE 51 N 0.32 0.24 0.08 2.43 -0.12 -1.26 -2.46 117.98 117.21 2wdr s PHE 51 Ca 0.08 -0.62 0.02 0.00 -0.05 0.00 0.00 56.93 56.36 2wdr s PHE 51 Cb -0.11 0.26 -0.04 0.00 -0.63 0.00 0.00 43.02 42.50 2wdr s PHE 51 CO -0.02 -1.00 0.17 1.03 -0.05 0.00 0.00 175.22 175.35 2wdr s ARG 52 N -3.99 3.22 -0.25 1.99 0.52 -1.26 -5.00 118.95 114.17 2wdr s ARG 52 Ca 0.19 -0.57 -0.29 0.00 -0.52 0.00 0.00 55.73 54.55 2wdr s ARG 52 Cb -0.01 -2.90 0.17 0.00 0.52 0.00 0.00 34.95 32.73 2wdr s ARG 52 CO 0.07 0.58 1.26 -0.98 0.02 0.00 0.00 175.30 176.25 2wdr s ARG 53 N -2.58 0.22 0.00 3.54 3.03 -1.26 -3.99 118.95 117.91 2wdr s ARG 53 Ca 0.33 0.07 0.00 0.00 2.03 0.00 0.00 55.73 58.16 2wdr s ARG 53 Cb -0.12 0.10 0.00 0.00 -1.03 0.00 0.00 34.95 33.90 2wdr s ARG 53 CO 0.26 -0.06 0.00 0.45 -1.13 0.00 0.00 175.30 174.81 2wdr n SER 54 N 0.73 0.00 0.18 -2.89 2.88 -1.26 -4.97 113.62 108.29 2wdr n SER 54 Ca -0.04 0.00 0.06 0.00 -1.33 0.00 0.00 58.87 57.56 2wdr n SER 54 Cb 0.58 0.09 0.24 0.00 -0.75 0.00 0.00 64.21 64.38 2wdr n SER 54 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wdr n ARG 56 N -3.32 -1.65 -0.32 0.00 0.00 -1.26 -4.74 116.66 105.36 2wdr n ARG 56 Ca 0.01 0.79 0.04 0.00 -0.00 0.00 0.00 57.85 58.69 2wdr n ARG 56 Cb 0.57 -5.07 0.05 0.00 -0.00 0.00 0.00 32.46 28.02 2wdr n ARG 56 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.63 176.78 2wdr n GLU 57 N -0.88 0.54 -3.00 2.89 0.28 -1.26 -4.82 120.64 114.39 2wdr n GLU 57 Ca -0.10 -1.61 -0.12 0.00 -0.16 0.00 0.00 57.16 55.17 2wdr n GLU 57 Cb 0.52 -0.89 0.05 0.00 1.43 0.00 0.00 31.44 32.55 2wdr n GLU 57 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2wdr n GLY 58 N -0.56 -0.02 0.00 -1.84 0.00 -1.26 -4.92 105.19 96.59 2wdr n GLY 58 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2wdr n GLY 58 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdr n VAL 59 N -3.38 0.00 0.09 1.61 0.31 -1.26 -4.86 118.33 110.84 2wdr n VAL 59 Ca -0.10 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.09 2wdr n VAL 59 Cb 0.58 -0.13 -0.10 0.00 -0.91 0.00 0.00 33.84 33.27 2wdr n VAL 59 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdr n GLY 61 N 1.33 0.66 0.16 0.00 0.00 -1.26 -4.86 105.19 101.22 2wdr n GLY 61 Ca -0.06 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.82 2wdr n GLY 61 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wdr h SER 62 N 0.00 -0.29 -2.38 1.61 0.02 -1.91 -3.39 113.55 107.21 2wdr h SER 62 Ca 0.00 0.01 -0.80 0.00 -0.84 0.00 0.00 61.79 60.16 2wdr h SER 62 Cb 0.00 0.08 -0.26 0.00 0.14 0.00 0.00 62.40 62.36 2wdr h SER 62 CO 0.00 -0.20 1.07 -0.90 -1.14 0.00 0.00 176.83 175.65 2wdr n ASP 63 N -5.24 7.03 -4.70 3.07 5.75 -1.26 -4.69 116.55 116.52 2wdr n ASP 63 Ca -0.09 -3.55 -0.42 0.00 -0.01 0.00 0.00 54.79 50.72 2wdr n ASP 63 Cb 0.16 -1.22 -0.03 0.00 -1.03 0.00 0.00 41.12 39.00 2wdr n ASP 63 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wdr s GLY 64 N -1.33 2.58 0.02 6.12 0.00 -1.26 -2.13 107.32 111.32 2wdr s GLY 64 Ca 0.37 0.48 -0.03 0.00 0.00 0.00 0.00 44.72 45.54 2wdr s GLY 64 CO -0.04 1.85 0.04 1.08 0.00 0.00 0.00 173.10 176.02 2wdr s LEU 65 N 1.56 1.98 -0.58 0.66 1.43 -0.23 -4.48 118.68 119.03 2wdr s LEU 65 Ca 0.51 -0.48 -0.23 0.00 -1.03 0.00 0.00 54.13 52.90 2wdr s LEU 65 Cb -0.20 0.37 0.05 0.00 0.03 0.00 0.00 46.19 46.44 2wdr s LEU 65 CO 0.23 -0.39 0.91 0.21 0.23 0.00 0.00 176.35 177.54 2wdr s ASN 66 N -1.72 6.27 -0.26 2.29 3.84 0.23 -1.84 114.94 123.76 2wdr s ASN 66 Ca -0.11 -0.61 -0.05 0.00 0.21 0.00 0.00 52.86 52.30 2wdr s ASN 66 Cb -0.06 -2.41 -0.00 0.00 -0.55 0.00 0.00 41.25 38.22 2wdr s ASN 66 CO -0.02 -1.26 0.02 -0.04 -2.79 0.00 0.00 177.10 173.02 2wdr s MET 67 N 3.84 3.29 -1.48 0.43 -1.94 0.12 -1.18 119.30 122.38 2wdr s MET 67 Ca 0.26 -0.71 -0.11 0.00 -1.71 0.00 0.00 55.69 53.42 2wdr s MET 67 Cb -0.15 -3.20 0.07 0.00 2.01 0.00 0.00 34.83 33.56 2wdr s MET 67 CO 0.16 -0.30 0.87 0.09 -0.01 0.00 0.00 175.02 175.83 2wdr n ASN 68 N 4.84 -4.99 0.00 3.03 3.02 -0.05 -1.95 115.26 119.16 2wdr n ASN 68 Ca -0.16 -0.62 0.00 0.00 -0.03 0.00 0.00 54.58 53.77 2wdr n ASN 68 Cb 0.50 -4.00 0.00 0.00 -0.61 0.00 0.00 39.78 35.66 2wdr n ASN 68 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wdr n GLY 69 N -1.62 1.98 3.24 7.41 0.00 -1.26 -5.03 105.19 109.91 2wdr n GLY 69 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2wdr n GLY 69 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wdr s LYS 70 N -0.71 1.37 0.60 1.61 2.20 -0.82 -5.05 119.74 118.95 2wdr s LYS 70 Ca 0.00 -0.91 -0.15 0.00 -0.36 0.00 0.00 55.97 54.56 2wdr s LYS 70 Cb 0.00 -1.46 -0.03 0.00 -1.51 0.00 0.00 37.83 34.83 2wdr s LYS 70 CO 0.00 0.37 1.04 -0.80 -0.36 0.00 0.00 175.35 175.61 2wdr s ASN 71 N -1.12 5.86 0.00 1.43 0.01 -1.26 0.15 114.94 120.02 2wdr s ASN 71 Ca 0.07 1.71 0.00 0.00 -0.71 0.00 0.00 52.86 53.93 2wdr s ASN 71 Cb -0.09 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2wdr s ASN 71 CO 0.02 -1.11 0.00 0.61 -1.51 0.00 0.00 177.10 175.10 2wdr n GLY 72 N -1.38 -1.68 3.57 0.66 0.00 -0.76 -4.86 105.19 100.74 2wdr n GLY 72 Ca 0.08 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.65 2wdr n GLY 72 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdr s LEU 73 N 0.00 3.47 0.32 0.99 1.43 -1.26 -1.07 118.68 122.56 2wdr s LEU 73 Ca 0.00 -0.01 0.05 0.00 -1.03 0.00 0.00 54.13 53.14 2wdr s LEU 73 Cb 0.00 -1.84 0.54 0.00 0.03 0.00 0.00 46.19 44.92 2wdr s LEU 73 CO 0.00 0.22 1.79 0.00 0.23 0.00 0.00 176.35 178.59 2wdr h ALA 74 N 6.36 1.25 0.00 4.21 0.00 -1.79 -2.10 119.26 127.19 2wdr h ALA 74 Ca -0.37 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.25 2wdr h ALA 74 Cb 1.18 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.86 2wdr h ALA 74 CO 0.63 0.49 0.00 0.00 0.00 0.00 0.00 179.25 180.37 2wdr n ILE 76 N -2.18 0.28 -3.20 0.00 -5.35 -1.08 -4.72 119.36 103.11 2wdr n ILE 76 Ca 0.01 -0.30 -0.43 0.00 -0.27 0.00 0.00 62.75 61.76 2wdr n ILE 76 Cb 0.16 0.93 -0.08 0.00 -1.74 0.00 0.00 39.64 38.92 2wdr n ILE 76 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 2wdr s THR 77 N -0.28 4.94 0.37 7.28 2.01 -0.81 -5.00 115.64 124.15 2wdr s THR 77 Ca 0.00 -0.12 -0.27 0.00 0.31 0.00 0.00 61.69 61.61 2wdr s THR 77 Cb 0.00 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.28 2wdr s THR 77 CO 0.00 -0.53 1.27 -2.84 -0.69 0.00 0.00 174.62 171.83 2wdr s PRO 78 N 2.52 4.15 0.30 4.92 0.02 -1.26 -0.60 135.00 145.03 2wdr s PRO 78 Ca 0.18 2.11 0.05 0.00 0.02 0.00 0.00 61.00 63.35 2wdr s PRO 78 Cb -0.16 -2.87 0.72 0.00 0.02 0.00 0.00 34.50 32.21 2wdr s PRO 78 CO 0.16 -0.32 1.76 0.82 -0.33 0.00 0.00 177.00 179.08 2wdr h ILE 79 N 2.67 0.65 0.00 2.83 1.08 -0.54 -1.04 117.51 123.16 2wdr h ILE 79 Ca -0.49 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 63.75 2wdr h ILE 79 Cb 1.24 -0.07 0.00 0.00 -3.07 0.00 0.00 36.82 34.92 2wdr h ILE 79 CO 0.64 0.12 0.00 0.77 -0.69 0.00 0.00 178.15 178.99 2wdr h SER 80 N 0.66 0.00 0.90 1.72 4.64 -1.91 -0.33 113.55 119.23 2wdr h SER 80 Ca 0.56 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.88 2wdr h SER 80 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 2wdr h SER 80 CO -0.41 0.00 -0.81 0.00 -0.87 0.00 0.00 176.83 174.74 2wdr h ALA 81 N 2.05 0.53 0.00 5.18 0.00 -1.56 -3.36 119.26 122.10 2wdr h ALA 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2wdr h ALA 81 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2wdr h ALA 81 CO 0.00 0.00 -1.53 1.28 0.00 0.00 0.00 179.25 179.00 2wdr n LEU 82 N -2.35 0.20 -4.70 0.00 4.77 -0.28 -4.99 117.00 109.66 2wdr n LEU 82 Ca 0.02 -0.13 -0.40 0.00 -0.03 0.00 0.00 56.01 55.47 2wdr n LEU 82 Cb 0.49 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.53 2wdr n LEU 82 CO 0.38 0.05 0.47 0.21 -1.33 0.00 0.00 177.39 177.18 2wdr s ASN 83 N -3.63 6.96 -0.02 -1.43 2.47 -0.36 -4.79 114.94 114.15 2wdr s ASN 83 Ca -0.03 1.17 0.02 0.00 0.42 0.00 0.00 52.86 54.43 2wdr s ASN 83 Cb 0.11 -2.43 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 2wdr s ASN 83 CO 0.71 -0.23 -0.06 -1.10 -3.72 0.00 0.00 177.10 172.71 2wdr s GLN 84 N 1.34 0.63 0.23 0.43 -0.21 -1.26 -4.95 119.66 115.87 2wdr s GLN 84 Ca 0.37 -0.20 -0.31 0.00 0.02 0.00 0.00 55.36 55.24 2wdr s GLN 84 Cb -0.17 -0.62 -0.14 0.00 1.00 0.00 0.00 33.01 33.08 2wdr s GLN 84 CO 0.16 0.08 1.35 -0.35 -2.12 0.00 0.00 175.29 174.41 2wdr n PRO 85 N 3.26 1.87 -0.54 2.91 -0.04 -1.26 -2.69 135.00 138.51 2wdr n PRO 85 Ca -0.17 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 63.96 2wdr n PRO 85 Cb 0.55 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2wdr n PRO 85 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wdr n GLY 86 N 2.07 1.81 3.20 0.55 0.00 -1.26 -5.01 105.19 106.55 2wdr n GLY 86 Ca 0.12 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.88 2wdr n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdr s LYS 87 N -0.04 1.58 0.47 1.61 1.02 -1.10 -5.13 119.74 118.15 2wdr s LYS 87 Ca 0.00 -0.70 -0.21 0.00 0.02 0.00 0.00 55.97 55.08 2wdr s LYS 87 Cb 0.00 -1.53 -0.08 0.00 -0.52 0.00 0.00 37.83 35.70 2wdr s LYS 87 CO 0.00 0.42 1.07 0.15 -0.92 0.00 0.00 175.35 176.07 2wdr s LYS 88 N -0.46 3.82 -0.34 1.68 1.02 -1.26 -4.54 119.74 119.65 2wdr s LYS 88 Ca 0.07 1.49 -0.29 0.00 0.02 0.00 0.00 55.97 57.26 2wdr s LYS 88 Cb -0.07 -2.23 0.00 0.00 -0.52 0.00 0.00 37.83 35.01 2wdr s LYS 88 CO -0.01 -0.44 1.38 0.42 -0.92 0.00 0.00 175.35 175.78 2wdr s ILE 89 N -1.82 3.99 -0.20 2.17 1.01 -0.37 -4.82 121.20 121.15 2wdr s ILE 89 Ca 0.65 1.07 -0.15 0.00 0.00 0.00 0.00 60.65 62.22 2wdr s ILE 89 Cb -0.20 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.09 2wdr s ILE 89 CO 0.25 -0.59 0.38 -0.69 0.00 0.00 0.00 174.94 174.29 2wdr s VAL 90 N 4.94 5.21 -0.15 2.92 1.01 -1.26 -1.01 120.40 132.07 2wdr s VAL 90 Ca 0.60 0.67 0.00 0.00 0.00 0.00 0.00 61.98 63.25 2wdr s VAL 90 Cb -0.16 -3.71 0.02 0.00 0.00 0.00 0.00 36.38 32.53 2wdr s VAL 90 CO 0.28 0.26 -0.14 -0.63 0.00 0.00 0.00 175.10 174.87 2wdr s ILE 91 N 1.26 1.59 0.12 2.22 1.01 0.13 -0.87 121.20 126.64 2wdr s ILE 91 Ca 0.18 -0.64 0.02 0.00 0.00 0.00 0.00 60.65 60.21 2wdr s ILE 91 Cb -0.15 -1.49 -0.04 0.00 0.01 0.00 0.00 42.46 40.79 2wdr s ILE 91 CO 0.08 0.46 -0.06 -0.13 0.00 0.00 0.00 174.94 175.29 2wdr s ARG 92 N 1.48 0.90 0.78 2.79 0.52 -0.32 -1.67 118.95 123.43 2wdr s ARG 92 Ca 0.05 -1.38 -0.13 0.00 -0.52 0.00 0.00 55.73 53.75 2wdr s ARG 92 Cb -0.13 -0.26 0.07 0.00 0.52 0.00 0.00 34.95 35.15 2wdr s ARG 92 CO -0.11 -0.02 1.18 -2.14 0.02 0.00 0.00 175.30 174.23 2wdr s PRO 93 N -3.84 1.87 0.32 3.54 0.02 -1.26 -0.60 135.00 135.05 2wdr s PRO 93 Ca 0.14 1.65 -0.29 0.00 0.02 0.00 0.00 61.00 62.52 2wdr s PRO 93 Cb 0.05 -1.81 -0.12 0.00 0.02 0.00 0.00 34.50 32.63 2wdr s PRO 93 CO -0.03 -2.02 1.35 1.28 -0.33 0.00 0.00 177.00 177.25 2wdr n LEU 94 N -3.18 3.58 -4.76 -5.54 4.77 -1.26 -4.33 117.00 106.28 2wdr n LEU 94 Ca 0.13 1.19 -0.37 0.00 -0.03 0.00 0.00 56.01 56.92 2wdr n LEU 94 Cb 0.51 -1.49 0.01 0.00 -2.33 0.00 0.00 43.42 40.13 2wdr n LEU 94 CO 0.48 -0.41 0.89 -2.84 -1.33 0.00 0.00 177.39 174.19 2wdr s PRO 95 N -1.48 3.45 0.00 3.23 0.02 -1.25 -3.94 135.00 135.02 2wdr s PRO 95 Ca 0.59 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.56 2wdr s PRO 95 Cb -0.58 -2.30 0.00 0.00 0.02 0.00 0.00 34.50 31.64 2wdr s PRO 95 CO 0.59 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.81 2wdr n GLY 96 N 0.56 3.03 3.88 0.52 0.00 -1.26 -4.68 105.19 107.24 2wdr n GLY 96 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 2wdr n GLY 96 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdr s LEU 97 N 0.00 4.12 0.34 0.99 1.43 -1.25 -5.03 118.68 119.28 2wdr s LEU 97 Ca 0.00 0.92 -0.27 0.00 -1.03 0.00 0.00 54.13 53.74 2wdr s LEU 97 Cb 0.00 -3.70 -0.12 0.00 0.03 0.00 0.00 46.19 42.40 2wdr s LEU 97 CO 0.00 -0.12 1.18 -2.65 0.23 0.00 0.00 176.35 174.99 2wdr n PRO 98 N -0.36 1.81 -3.36 1.29 -0.02 -1.26 -4.82 135.00 128.28 2wdr n PRO 98 Ca 0.00 0.64 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 2wdr n PRO 98 Cb 0.53 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.75 2wdr n PRO 98 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wdr s VAL 99 N -1.11 5.13 -0.01 -1.45 1.01 -1.26 -1.05 120.40 121.65 2wdr s VAL 99 Ca 0.57 -0.11 -0.25 0.00 0.00 0.00 0.00 61.98 62.20 2wdr s VAL 99 Cb -0.60 -3.92 -0.19 0.00 0.00 0.00 0.00 36.38 31.67 2wdr s VAL 99 CO 0.61 -0.23 1.25 0.40 0.00 0.00 0.00 175.10 177.13 2wdr h ILE 100 N 5.62 1.40 -1.28 2.22 2.04 -1.29 -3.48 117.51 122.74 2wdr h ILE 100 Ca -0.28 -1.27 0.16 0.00 1.00 0.00 0.00 64.86 64.47 2wdr h ILE 100 Cb 1.13 2.18 -0.29 0.00 -0.74 0.00 0.00 36.82 39.10 2wdr h ILE 100 CO 0.74 0.34 0.50 -0.60 0.00 0.00 0.00 178.15 179.13 2wdr s ARG 101 N -4.13 0.25 1.22 2.37 6.06 -1.09 -4.73 118.95 118.90 2wdr s ARG 101 Ca -0.16 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.52 2wdr s ARG 101 Cb 0.02 0.08 0.00 0.00 0.06 0.00 0.00 34.95 35.11 2wdr s ARG 101 CO 0.70 -0.06 0.00 -0.25 -2.50 0.00 0.00 175.30 173.19 2wdr n ASP 102 N 3.64 0.00 -1.16 -2.12 8.00 -0.35 -0.31 116.55 124.25 2wdr n ASP 102 Ca -0.17 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.44 2wdr n ASP 102 Cb 0.57 0.00 0.28 0.00 -0.02 0.00 0.00 41.12 41.94 2wdr n ASP 102 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2wdr n LEU 103 N 0.00 3.40 -4.61 0.64 4.77 -1.03 -4.69 117.00 115.49 2wdr n LEU 103 Ca 0.00 -1.62 -0.39 0.00 -0.03 0.00 0.00 56.01 53.97 2wdr n LEU 103 Cb 0.00 -0.36 -0.09 0.00 -2.33 0.00 0.00 43.42 40.64 2wdr n LEU 103 CO 0.00 0.81 0.06 -0.69 -1.33 0.00 0.00 177.39 176.24 2wdr s VAL 104 N -1.27 5.18 0.30 4.08 1.01 0.58 -4.76 120.40 125.52 2wdr s VAL 104 Ca 0.42 0.57 0.07 0.00 0.00 0.00 0.00 61.98 63.04 2wdr s VAL 104 Cb 0.23 -3.70 -0.03 0.00 0.00 0.00 0.00 36.38 32.88 2wdr s VAL 104 CO 0.30 0.16 0.29 0.68 0.00 0.00 0.00 175.10 176.53 2wdr s VAL 105 N 2.04 4.05 -0.59 2.92 -7.23 -1.26 -0.84 120.40 119.48 2wdr s VAL 105 Ca 0.15 -1.31 -0.20 0.00 -1.81 0.00 0.00 61.98 58.81 2wdr s VAL 105 Cb -0.16 -3.34 0.08 0.00 0.56 0.00 0.00 36.38 33.52 2wdr s VAL 105 CO 0.10 -0.24 0.78 -0.62 -0.31 0.00 0.00 175.10 174.80 2wdr s ASP 106 N -3.96 6.20 0.00 4.85 2.15 -0.22 -4.78 116.67 120.91 2wdr s ASP 106 Ca 0.38 -1.12 0.23 0.00 0.43 0.00 0.00 52.55 52.47 2wdr s ASP 106 Cb -0.07 -2.34 1.36 0.00 -0.30 0.00 0.00 42.92 41.57 2wdr s ASP 106 CO 0.27 -1.16 1.77 0.23 -0.17 0.00 0.00 175.17 176.11 2wdr n MET 107 N 6.75 0.82 -0.03 4.34 2.81 -1.26 -4.41 117.12 126.15 2wdr n MET 107 Ca -0.07 0.00 -0.01 0.00 -1.81 0.00 0.00 57.70 55.82 2wdr n MET 107 Cb 0.44 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.51 2wdr n MET 107 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2wdr n GLY 108 N 0.59 -1.80 0.27 3.03 0.00 -1.26 -0.62 105.19 105.40 2wdr n GLY 108 Ca 0.17 0.39 0.10 0.00 0.00 0.00 0.00 46.02 46.68 2wdr n GLY 108 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2wdr h GLN 109 N 0.00 0.00 0.08 1.61 4.20 -1.93 -0.11 115.11 118.95 2wdr h GLN 109 Ca 0.01 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.72 2wdr h GLN 109 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wdr h GLN 109 CO -0.07 0.04 -0.04 0.35 -0.67 0.00 0.00 178.83 178.44 2wdr h PHE 110 N 0.00 -0.09 -0.74 2.96 3.57 -1.18 -1.72 116.94 119.74 2wdr h PHE 110 Ca -0.00 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.44 2wdr h PHE 110 Cb 0.07 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.81 2wdr h PHE 110 CO 0.00 0.19 0.23 1.88 -2.23 0.00 0.00 178.31 178.38 2wdr h TYR 111 N -0.38 1.19 -0.55 0.41 0.05 -0.63 -2.53 116.97 114.52 2wdr h TYR 111 Ca -0.01 -0.12 0.09 0.00 0.05 0.00 0.00 58.73 58.73 2wdr h TYR 111 Cb 0.33 -0.34 -0.07 0.00 1.01 0.00 0.00 36.73 37.66 2wdr h TYR 111 CO 0.02 0.94 0.17 0.00 -1.05 0.00 0.00 178.16 178.24 2wdr h ALA 112 N 1.11 0.68 -0.27 3.88 0.00 -0.86 -0.24 119.26 123.56 2wdr h ALA 112 Ca 0.24 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 2wdr h ALA 112 Cb 0.31 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wdr h ALA 112 CO -0.01 -0.24 -0.20 1.96 0.00 0.00 0.00 179.25 180.76 2wdr h GLN 113 N 0.34 0.50 0.05 0.00 1.08 -1.13 -1.83 115.11 114.12 2wdr h GLN 113 Ca 0.28 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.32 2wdr h GLN 113 Cb 0.35 -0.04 -0.03 0.00 -0.05 0.00 0.00 27.48 27.71 2wdr h GLN 113 CO -0.31 0.68 -0.15 -0.92 -0.95 0.00 0.00 178.83 177.18 2wdr h TYR 114 N 0.45 -0.40 -0.84 2.96 3.20 -0.67 -2.68 116.97 119.00 2wdr h TYR 114 Ca 0.07 0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.95 2wdr h TYR 114 Cb 0.61 0.17 -0.04 0.00 1.54 0.00 0.00 36.73 39.01 2wdr h TYR 114 CO 0.02 -0.23 0.51 0.93 -1.64 0.00 0.00 178.16 177.76 2wdr h GLU 115 N -0.28 1.14 -1.04 1.82 5.08 -0.98 -2.65 114.58 117.68 2wdr h GLU 115 Ca 0.04 -0.10 0.26 0.00 -1.00 0.00 0.00 59.36 58.56 2wdr h GLU 115 Cb 0.32 -0.24 -0.09 0.00 0.50 0.00 0.00 28.75 29.24 2wdr h GLU 115 CO -0.12 0.79 0.67 0.87 -1.00 0.00 0.00 179.01 180.22 2wdr h LYS 116 N 1.16 0.37 -0.40 2.33 1.57 -0.98 0.14 116.57 120.77 2wdr h LYS 116 Ca 0.30 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 2wdr h LYS 116 Cb -0.06 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2wdr h LYS 116 CO -0.06 0.25 0.00 0.44 -0.57 0.00 0.00 179.45 179.51 2wdr n ILE 117 N -4.60 0.55 -3.32 1.86 -6.64 -1.00 -4.95 119.36 101.26 2wdr n ILE 117 Ca 0.25 -0.48 -0.11 0.00 -1.77 0.00 0.00 62.75 60.64 2wdr n ILE 117 Cb 0.88 0.16 0.01 0.00 -1.44 0.00 0.00 39.64 39.25 2wdr n ILE 117 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2wdr n LYS 118 N 0.47 -1.46 -1.31 6.28 5.02 0.51 -4.83 118.16 122.84 2wdr n LYS 118 Ca 0.12 1.12 -0.29 0.00 -2.02 0.00 0.00 58.31 57.24 2wdr n LYS 118 Cb 0.33 -4.83 -0.08 0.00 -0.02 0.00 0.00 35.03 30.44 2wdr n LYS 118 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2wdr n PRO 119 N -2.47 3.12 -3.78 1.97 -0.04 -1.26 -4.81 135.00 127.73 2wdr n PRO 119 Ca -0.09 -1.96 -0.13 0.00 -0.04 0.00 0.00 63.50 61.28 2wdr n PRO 119 Cb 0.57 -2.44 -0.10 0.00 -0.04 0.00 0.00 33.50 31.49 2wdr n PRO 119 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wdr s TYR 120 N 0.99 -0.20 0.12 0.54 -0.85 -1.26 -5.12 117.35 111.56 2wdr s TYR 120 Ca 0.66 0.41 -0.34 0.00 -0.52 0.00 0.00 57.07 57.28 2wdr s TYR 120 Cb 0.25 0.08 -0.13 0.00 0.38 0.00 0.00 41.96 42.54 2wdr s TYR 120 CO -0.06 -0.29 1.65 -0.11 -1.52 0.00 0.00 175.55 175.22 2wdr n LEU 121 N 1.91 3.22 -4.05 -3.49 7.94 -1.26 -4.95 117.00 116.32 2wdr n LEU 121 Ca -0.19 1.06 -0.33 0.00 -1.11 0.00 0.00 56.01 55.45 2wdr n LEU 121 Cb 0.57 -1.43 -0.14 0.00 0.53 0.00 0.00 43.42 42.95 2wdr n LEU 121 CO 0.20 -0.22 -0.26 -0.76 -1.11 0.00 0.00 177.39 175.24 2wdr s LEU 122 N 1.55 4.90 -0.17 -1.96 1.43 -1.26 -5.08 118.68 118.09 2wdr s LEU 122 Ca 0.81 -2.21 -0.01 0.00 -1.03 0.00 0.00 54.13 51.70 2wdr s LEU 122 Cb -0.67 -1.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.85 2wdr s LEU 122 CO 0.40 -0.42 -0.13 0.21 0.23 0.00 0.00 176.35 176.64 2wdr s ASN 123 N 1.09 3.81 0.00 2.29 3.84 -1.26 -1.38 114.94 123.33 2wdr s ASN 123 Ca 0.11 -0.45 0.13 0.00 0.21 0.00 0.00 52.86 52.86 2wdr s ASN 123 Cb -0.21 -1.60 0.76 0.00 -0.55 0.00 0.00 41.25 39.65 2wdr s ASN 123 CO -0.06 0.06 1.25 -0.46 -2.79 0.00 0.00 177.10 175.10 2wdr n ASN 124 N 4.21 0.00 0.00 -4.21 0.23 -1.26 -4.85 115.26 109.38 2wdr n ASN 124 Ca -0.19 -0.90 0.00 0.00 -0.53 0.00 0.00 54.58 52.96 2wdr n ASN 124 Cb 0.51 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.21 2wdr n ASN 124 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wdr n GLY 125 N 0.24 2.16 3.81 4.83 0.00 -1.26 -5.01 105.19 109.97 2wdr n GLY 125 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.78 2wdr n GLY 125 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdr s GLN 126 N -0.08 4.08 -1.17 1.61 -0.21 -1.26 -4.05 119.66 118.58 2wdr s GLN 126 Ca 0.00 1.20 -0.20 0.00 0.02 0.00 0.00 55.36 56.38 2wdr s GLN 126 Cb 0.00 -2.15 -0.00 0.00 1.00 0.00 0.00 33.01 31.86 2wdr s GLN 126 CO 0.00 -0.17 0.76 0.09 -2.12 0.00 0.00 175.29 173.84 2wdr n ASN 127 N -0.76 -4.78 -4.74 5.90 3.02 -1.26 -4.91 115.26 107.73 2wdr n ASN 127 Ca 0.08 -1.04 -0.36 0.00 -0.03 0.00 0.00 54.58 53.23 2wdr n ASN 127 Cb 0.53 -3.22 0.06 0.00 -0.61 0.00 0.00 39.78 36.55 2wdr n ASN 127 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2wdr s PRO 128 N -6.15 2.58 0.54 3.52 0.02 -1.26 -4.98 135.00 129.27 2wdr s PRO 128 Ca 0.43 1.86 -0.18 0.00 0.02 0.00 0.00 61.00 63.13 2wdr s PRO 128 Cb -0.16 -1.87 -0.06 0.00 0.02 0.00 0.00 34.50 32.42 2wdr s PRO 128 CO 0.87 -1.52 1.07 -2.14 -0.33 0.00 0.00 177.00 174.95 2wdr s PRO 129 N -3.55 3.50 0.22 5.54 0.02 -1.26 -4.95 135.00 134.52 2wdr s PRO 129 Ca 0.78 1.36 -0.09 0.00 0.02 0.00 0.00 61.00 63.07 2wdr s PRO 129 Cb -0.32 -2.05 0.19 0.00 0.02 0.00 0.00 34.50 32.34 2wdr s PRO 129 CO 0.39 -0.68 1.87 0.00 -0.33 0.00 0.00 177.00 178.25 2wdr h ALA 130 N 1.04 1.07 -3.00 -1.55 0.00 -2.02 -3.46 119.26 111.34 2wdr h ALA 130 Ca -0.49 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wdr h ALA 130 Cb 1.23 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wdr h ALA 130 CO 0.58 0.52 0.00 0.54 0.00 0.00 0.00 179.25 180.88 2wdr n ARG 131 N -4.45 0.00 -2.55 0.00 1.74 -1.26 -5.11 116.66 105.02 2wdr n ARG 131 Ca 0.09 0.00 -0.34 0.00 -0.77 0.00 0.00 57.85 56.82 2wdr n ARG 131 Cb 0.05 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 31.45 2wdr n ARG 131 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 2wdr s GLU 132 N 1.92 3.84 0.10 5.56 1.03 -1.26 -4.97 118.70 124.92 2wdr s GLU 132 Ca 0.00 1.36 -0.35 0.00 0.03 0.00 0.00 54.97 56.01 2wdr s GLU 132 Cb 0.00 -2.13 -0.15 0.00 -0.80 0.00 0.00 34.13 31.05 2wdr s GLU 132 CO 0.00 -0.40 1.47 0.72 -1.33 0.00 0.00 175.26 175.72 2wdr n HIS 133 N -0.89 1.88 -2.67 4.83 8.25 -1.26 -4.83 115.22 120.54 2wdr n HIS 133 Ca 0.09 0.46 -0.43 0.00 -0.26 0.00 0.00 57.72 57.58 2wdr n HIS 133 Cb 0.52 -2.44 -0.02 0.00 1.12 0.00 0.00 29.99 29.17 2wdr n HIS 133 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2wdr s LEU 134 N 0.85 3.87 -0.20 2.41 1.43 -1.26 -5.02 118.68 120.76 2wdr s LEU 134 Ca 0.83 0.77 0.01 0.00 -1.03 0.00 0.00 54.13 54.70 2wdr s LEU 134 Cb -0.83 -3.47 0.04 0.00 0.03 0.00 0.00 46.19 41.96 2wdr s LEU 134 CO 0.43 -0.98 -0.11 -1.58 0.23 0.00 0.00 176.35 174.35 2wdr s GLN 135 N 3.82 2.11 0.55 1.70 0.74 -1.26 -5.03 119.66 122.30 2wdr s GLN 135 Ca 0.44 -0.84 -0.20 0.00 0.05 0.00 0.00 55.36 54.81 2wdr s GLN 135 Cb -0.11 -2.42 -0.05 0.00 1.10 0.00 0.00 33.01 31.53 2wdr s GLN 135 CO 0.21 -0.41 1.22 -1.64 -0.55 0.00 0.00 175.29 174.12 2wdr s MET 136 N 1.38 3.19 0.31 1.67 -1.94 -1.26 -4.74 119.30 117.92 2wdr s MET 136 Ca -0.01 1.88 0.06 0.00 -1.71 0.00 0.00 55.69 55.92 2wdr s MET 136 Cb -0.16 -2.10 0.75 0.00 2.01 0.00 0.00 34.83 35.33 2wdr s MET 136 CO -0.08 -1.04 1.80 -1.35 -0.01 0.00 0.00 175.02 174.33 2wdr h PRO 137 N 1.26 0.74 -0.90 2.03 0.11 -1.99 0.31 132.00 133.56 2wdr h PRO 137 Ca -0.50 -0.04 0.10 0.00 0.11 0.00 0.00 66.00 65.67 2wdr h PRO 137 Cb 1.29 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 32.16 2wdr h PRO 137 CO 0.57 0.49 0.58 1.49 -0.21 0.00 0.00 178.00 180.92 2wdr h GLU 138 N 0.77 0.84 0.15 1.05 4.81 -2.01 -1.79 114.58 118.40 2wdr h GLU 138 Ca 0.55 -0.05 -0.29 0.00 -0.13 0.00 0.00 59.36 59.43 2wdr h GLU 138 Cb 0.85 -0.19 0.02 0.00 0.63 0.00 0.00 28.75 30.06 2wdr h GLU 138 CO -0.33 0.56 -1.28 1.96 -0.73 0.00 0.00 179.01 179.18 2wdr h GLN 139 N 0.87 0.45 0.00 1.92 4.20 -0.80 -3.26 115.11 118.48 2wdr h GLN 139 Ca 0.42 -0.68 -0.01 0.00 0.06 0.00 0.00 58.65 58.44 2wdr h GLN 139 Cb 0.46 0.24 -0.00 0.00 0.30 0.00 0.00 27.48 28.48 2wdr h GLN 139 CO -0.19 1.31 -0.07 -0.09 -0.67 0.00 0.00 178.83 179.12 2wdr h ARG 140 N 0.16 0.00 0.00 1.46 9.65 -0.42 -1.58 114.38 123.65 2wdr h ARG 140 Ca -0.18 0.00 -0.04 0.00 -1.10 0.00 0.00 59.98 58.66 2wdr h ARG 140 Cb 1.98 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.55 2wdr h ARG 140 CO 0.23 0.07 -0.20 0.93 2.80 0.00 0.00 179.97 183.80 2wdr h GLU 141 N 0.00 0.00 0.00 0.20 5.08 -1.40 -2.25 114.58 116.21 2wdr h GLU 141 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2wdr h GLU 141 Cb 0.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2wdr h GLU 141 CO 0.01 0.20 0.00 0.87 -1.00 0.00 0.00 179.01 179.09 2wdr h LYS 142 N 0.00 0.00 0.00 2.33 1.57 -1.43 -0.04 116.57 119.01 2wdr h LYS 142 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2wdr h LYS 142 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2wdr h LYS 142 CO 0.03 0.00 -0.12 -0.07 -0.57 0.00 0.00 179.45 178.71 2wdr h LEU 143 N 0.00 0.00 -9.43 2.94 3.38 -1.55 -3.46 115.31 107.19 2wdr h LEU 143 Ca 0.00 -0.04 -0.54 0.00 0.09 0.00 0.00 57.88 57.39 2wdr h LEU 143 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2wdr h LEU 143 CO 0.00 0.02 0.77 -1.81 0.09 0.00 0.00 178.44 177.51 2wdr s ASP 144 N -4.60 6.88 0.00 -0.43 1.01 -0.03 -1.55 116.67 117.95 2wdr s ASP 144 Ca 0.09 2.15 0.00 0.00 0.71 0.00 0.00 52.55 55.50 2wdr s ASP 144 Cb 0.12 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.48 2wdr s ASP 144 CO 0.63 -0.67 0.00 0.61 0.21 0.00 0.00 175.17 175.95 2wdr n GLY 145 N 3.54 0.62 0.21 0.21 0.00 -1.26 -4.87 105.19 103.64 2wdr n GLY 145 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wdr n GLY 145 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdr n LEU 146 N 0.00 2.17 -0.00 0.99 4.77 -0.60 -4.55 117.00 119.78 2wdr n LEU 146 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 2wdr n LEU 146 Cb 0.00 0.00 0.61 0.00 -2.33 0.00 0.00 43.42 41.70 2wdr n LEU 146 CO 0.00 0.35 0.93 0.00 -1.33 0.00 0.00 177.39 177.34 2wdr n TYR 147 N -2.49 0.00 1.09 -1.77 0.18 -0.82 -3.81 117.16 109.54 2wdr n TYR 147 Ca 0.00 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.91 2wdr n TYR 147 Cb 0.44 -0.45 0.47 0.00 -0.38 0.00 0.00 39.34 39.42 2wdr n TYR 147 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 2wdr n GLU 148 N -1.46 0.16 -1.64 -3.48 4.71 -1.26 -4.89 120.64 112.76 2wdr n GLU 148 Ca 0.08 -0.06 -0.46 0.00 -0.01 0.00 0.00 57.16 56.71 2wdr n GLU 148 Cb 0.33 -1.50 -0.03 0.00 -1.01 0.00 0.00 31.44 29.22 2wdr n GLU 148 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2wdr n ILE 150 N 2.00 1.55 -4.11 0.00 -5.35 -1.26 -4.97 119.36 107.22 2wdr n ILE 150 Ca 0.13 -1.13 -0.40 0.00 -0.27 0.00 0.00 62.75 61.09 2wdr n ILE 150 Cb 0.29 0.26 -0.02 0.00 -1.74 0.00 0.00 39.64 38.43 2wdr n ILE 150 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wdr n LEU 151 N 1.36 -0.78 0.06 7.28 4.77 -1.26 -4.46 117.00 123.97 2wdr n LEU 151 Ca 0.26 -1.26 0.12 0.00 -0.03 0.00 0.00 56.01 55.10 2wdr n LEU 151 Cb 0.81 -1.71 0.06 0.00 -2.33 0.00 0.00 43.42 40.25 2wdr n LEU 151 CO 0.22 0.66 0.11 0.00 -1.33 0.00 0.00 177.39 177.05 2wdr n ALA 153 N -1.96 0.00 0.01 0.00 0.00 -1.26 -4.65 120.51 112.65 2wdr n ALA 153 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.36 2wdr n ALA 153 Cb 0.48 -0.02 -0.04 0.00 0.00 0.00 0.00 19.45 19.87 2wdr n ALA 153 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wdr h SER 156 N -0.50 1.05 0.00 0.00 0.02 -1.94 -1.60 113.55 110.58 2wdr h SER 156 Ca -0.02 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2wdr h SER 156 Cb 0.40 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2wdr h SER 156 CO 0.03 0.85 0.00 0.35 -1.14 0.00 0.00 176.83 176.91 2wdr n THR 157 N -4.38 0.00 0.03 -2.27 -2.24 -0.90 -1.94 114.28 102.58 2wdr n THR 157 Ca 0.08 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.91 2wdr n THR 157 Cb 0.09 -0.54 0.11 0.00 -2.10 0.00 0.00 70.33 67.89 2wdr n THR 157 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wdr n SER 158 N -0.99 2.51 -4.52 3.42 3.41 -0.62 -3.97 113.62 112.86 2wdr n SER 158 Ca 0.21 -1.81 -0.41 0.00 -0.26 0.00 0.00 58.87 56.60 2wdr n SER 158 Cb 0.10 -0.14 -0.10 0.00 -0.26 0.00 0.00 64.21 63.80 2wdr n SER 158 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wdr h PRO 160 N 8.51 0.59 -0.11 0.00 0.11 -1.92 -0.73 132.00 138.44 2wdr h PRO 160 Ca -0.31 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.74 2wdr h PRO 160 Cb 1.15 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.12 2wdr h PRO 160 CO 0.65 0.39 -0.05 0.77 -0.21 0.00 0.00 178.00 179.55 2wdr h SER 161 N 0.60 0.15 0.64 -2.05 0.02 -1.94 0.68 113.55 111.66 2wdr h SER 161 Ca 0.45 -0.02 -0.17 0.00 -0.84 0.00 0.00 61.79 61.21 2wdr h SER 161 Cb 0.63 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.11 2wdr h SER 161 CO -0.36 0.23 -0.78 0.15 -1.14 0.00 0.00 176.83 174.92 2wdr h PHE 162 N 0.16 0.15 -0.64 3.45 3.57 -1.46 -2.79 116.94 119.38 2wdr h PHE 162 Ca 0.04 -0.08 -0.03 0.00 3.53 0.00 0.00 57.97 61.44 2wdr h PHE 162 Cb 0.20 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2wdr h PHE 162 CO 0.00 0.84 0.30 -1.49 -2.23 0.00 0.00 178.31 175.73 2wdr h TRP 163 N 0.06 0.93 0.00 0.41 6.55 0.22 -2.16 115.95 121.95 2wdr h TRP 163 Ca -0.02 -0.05 -0.08 0.00 0.95 0.00 0.00 58.89 59.69 2wdr h TRP 163 Cb 1.38 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 29.38 2wdr h TRP 163 CO 0.01 0.70 -0.86 -1.49 -1.05 0.00 0.00 178.44 175.76 2wdr h TRP 164 N 0.88 0.00 -1.61 0.49 -0.00 -1.30 -3.38 115.95 111.02 2wdr h TRP 164 Ca 0.22 0.00 -0.44 0.00 -0.00 0.00 0.00 58.89 58.66 2wdr h TRP 164 Cb 0.14 0.00 -0.35 0.00 -0.00 0.00 0.00 29.16 28.95 2wdr h TRP 164 CO 0.00 0.31 -1.04 0.09 -0.00 0.00 0.00 178.44 177.80 2wdr n ASN 165 N -2.94 0.09 0.00 -3.49 3.02 -1.05 -4.97 115.26 105.92 2wdr n ASN 165 Ca -0.02 -3.09 0.04 0.00 -0.03 0.00 0.00 54.58 51.48 2wdr n ASN 165 Cb 0.68 -0.12 0.19 0.00 -0.61 0.00 0.00 39.78 39.92 2wdr n ASN 165 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2wdr n PRO 166 N 0.50 0.12 0.00 3.52 -0.04 -0.82 -0.81 135.00 137.47 2wdr n PRO 166 Ca 0.21 0.19 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2wdr n PRO 166 Cb 0.65 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2wdr n PRO 166 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 2wdr n ASP 167 N -1.25 0.54 -0.03 3.54 5.75 -1.26 -4.71 116.55 119.12 2wdr n ASP 167 Ca 0.04 -0.81 -0.04 0.00 -0.01 0.00 0.00 54.79 53.97 2wdr n ASP 167 Cb 0.05 0.26 -0.03 0.00 -1.03 0.00 0.00 41.12 40.37 2wdr n ASP 167 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wdr n LYS 168 N -0.26 0.34 -3.04 0.11 5.02 -0.66 -4.99 118.16 114.67 2wdr n LYS 168 Ca 0.00 0.03 -0.38 0.00 -2.02 0.00 0.00 58.31 55.94 2wdr n LYS 168 Cb 0.03 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.86 2wdr n LYS 168 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 2wdr s PHE 169 N -2.12 3.82 0.15 2.13 5.36 0.01 -3.33 117.98 124.00 2wdr s PHE 169 Ca -0.08 1.53 0.03 0.00 -0.96 0.00 0.00 56.93 57.45 2wdr s PHE 169 Cb 0.02 -2.70 -0.08 0.00 -0.34 0.00 0.00 43.02 39.92 2wdr s PHE 169 CO 0.15 0.47 1.33 0.82 -1.46 0.00 0.00 175.22 176.53 2wdr h ILE 170 N 3.17 1.54 0.00 3.12 1.08 -1.66 -3.44 117.51 121.33 2wdr h ILE 170 Ca -0.48 -2.82 0.00 0.00 -0.39 0.00 0.00 64.86 61.17 2wdr h ILE 170 Cb 1.20 2.60 0.00 0.00 -3.07 0.00 0.00 36.82 37.55 2wdr h ILE 170 CO 0.65 0.82 0.00 0.61 -0.69 0.00 0.00 178.15 179.54 2wdr n GLY 171 N 1.04 -1.65 0.45 5.37 0.00 -1.26 -4.20 105.19 104.95 2wdr n GLY 171 Ca -0.04 -1.54 -0.15 0.00 0.00 0.00 0.00 46.02 44.29 2wdr n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wdr h PRO 172 N 0.00 -0.64 -0.43 1.61 0.11 -1.91 -0.84 132.00 129.89 2wdr h PRO 172 Ca 0.00 0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.24 2wdr h PRO 172 Cb 0.00 0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.16 2wdr h PRO 172 CO 0.00 -0.42 -0.19 0.00 -0.21 0.00 0.00 178.00 177.17 2wdr h ALA 173 N -0.31 0.14 -0.03 -0.75 0.00 -1.92 -0.56 119.26 115.83 2wdr h ALA 173 Ca 0.02 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2wdr h ALA 173 Cb 0.71 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 2wdr h ALA 173 CO -0.33 -0.55 0.01 0.78 0.00 0.00 0.00 179.25 179.16 2wdr h GLY 174 N -0.11 0.05 1.73 0.00 0.00 -1.65 -2.47 103.07 100.62 2wdr h GLY 174 Ca 0.21 -0.03 0.01 0.00 0.00 0.00 0.00 47.33 47.52 2wdr h GLY 174 CO -0.50 0.03 0.16 1.41 0.00 0.00 0.00 176.54 177.64 2wdr h LEU 175 N -0.20 0.23 -0.21 3.11 3.38 -0.82 0.13 115.31 120.93 2wdr h LEU 175 Ca 0.01 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wdr h LEU 175 Cb 0.26 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2wdr h LEU 175 CO 0.00 0.17 0.13 0.25 0.09 0.00 0.00 178.44 179.07 2wdr h LEU 176 N 0.27 0.26 -1.01 1.67 5.85 -0.87 -0.83 115.31 120.65 2wdr h LEU 176 Ca 0.09 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2wdr h LEU 176 Cb 0.04 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2wdr h LEU 176 CO -0.02 0.24 0.29 0.00 -0.34 0.00 0.00 178.44 178.61 2wdr h ALA 177 N 1.03 1.22 -0.59 1.25 0.00 -0.62 -0.70 119.26 120.85 2wdr h ALA 177 Ca 0.08 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2wdr h ALA 177 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wdr h ALA 177 CO -0.01 0.58 0.29 0.00 0.00 0.00 0.00 179.25 180.11 2wdr h ALA 178 N 1.33 0.76 -0.22 0.00 0.00 -0.43 -2.29 119.26 118.42 2wdr h ALA 178 Ca 0.24 -0.13 -0.11 0.00 0.00 0.00 0.00 54.91 54.91 2wdr h ALA 178 Cb 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2wdr h ALA 178 CO -0.02 0.32 -0.34 -0.92 0.00 0.00 0.00 179.25 178.28 2wdr h TYR 179 N 0.80 0.53 -0.13 0.00 3.20 -0.74 -0.03 116.97 120.61 2wdr h TYR 179 Ca 0.20 -0.13 0.04 0.00 3.14 0.00 0.00 58.73 61.98 2wdr h TYR 179 Cb 0.11 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.25 2wdr h TYR 179 CO -0.00 0.74 0.15 -0.09 -1.64 0.00 0.00 178.16 177.32 2wdr h ARG 180 N 0.39 0.00 0.00 1.82 9.65 -0.57 -0.44 114.38 125.24 2wdr h ARG 180 Ca 0.05 0.00 -0.22 0.00 -1.10 0.00 0.00 59.98 58.70 2wdr h ARG 180 Cb 0.78 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.32 2wdr h ARG 180 CO 0.06 0.00 -2.21 1.19 2.80 0.00 0.00 179.97 181.81 2wdr n PHE 181 N -3.79 0.03 0.09 2.20 3.72 -0.94 -3.69 117.46 115.08 2wdr n PHE 181 Ca 0.00 0.01 0.02 0.00 -0.05 0.00 0.00 57.45 57.43 2wdr n PHE 181 Cb 0.26 -0.81 0.38 0.00 -0.94 0.00 0.00 39.48 38.36 2wdr n PHE 181 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2wdr h LEU 182 N 0.00 0.28 -2.93 4.37 3.38 0.08 -3.08 115.31 117.41 2wdr h LEU 182 Ca -0.33 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.59 2wdr h LEU 182 Cb 1.76 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.43 2wdr h LEU 182 CO 0.02 0.41 0.00 2.30 0.09 0.00 0.00 178.44 181.26 2wdr n ILE 183 N -4.29 1.20 -2.38 1.22 -6.64 -0.28 -4.92 119.36 103.27 2wdr n ILE 183 Ca -0.00 -1.12 -0.43 0.00 -1.77 0.00 0.00 62.75 59.43 2wdr n ILE 183 Cb 0.25 0.39 -0.02 0.00 -1.44 0.00 0.00 39.64 38.82 2wdr n ILE 183 CO 0.00 0.00 0.00 -0.62 -1.77 0.00 0.00 176.55 174.16 2wdr s ASP 184 N -1.11 6.60 0.57 7.28 -1.08 -1.17 -4.86 116.67 122.90 2wdr s ASP 184 Ca 0.30 1.20 0.28 0.00 -0.52 0.00 0.00 52.55 53.81 2wdr s ASP 184 Cb 0.17 -2.54 1.49 0.00 -1.46 0.00 0.00 42.92 40.58 2wdr s ASP 184 CO 0.17 -1.14 1.96 0.77 0.52 0.00 0.00 175.17 177.45 2wdr h SER 185 N 9.61 0.00 0.85 -0.34 4.64 -1.90 0.10 113.55 126.50 2wdr h SER 185 Ca -0.27 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.05 2wdr h SER 185 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 2wdr h SER 185 CO 1.04 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.54 2wdr n ARG 186 N -3.96 0.07 -3.29 4.77 1.74 -1.26 -4.69 116.66 110.03 2wdr n ARG 186 Ca 0.09 0.04 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 2wdr n ARG 186 Cb 0.62 -1.50 -0.08 0.00 -1.02 0.00 0.00 32.46 30.48 2wdr n ARG 186 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2wdr s ASP 187 N -2.92 6.36 -0.00 0.55 2.15 0.35 -4.49 116.67 118.66 2wdr s ASP 187 Ca 0.15 0.38 0.21 0.00 0.43 0.00 0.00 52.55 53.73 2wdr s ASP 187 Cb 0.18 -2.25 0.61 0.00 -0.30 0.00 0.00 42.92 41.16 2wdr s ASP 187 CO 0.48 -0.27 1.51 0.35 -0.17 0.00 0.00 175.17 177.07 2wdr n THR 188 N 5.17 1.01 -1.38 1.71 -2.24 -0.48 -4.43 114.28 113.64 2wdr n THR 188 Ca -0.06 -1.00 -0.12 0.00 -2.27 0.00 0.00 64.05 60.60 2wdr n THR 188 Cb 0.50 0.50 0.19 0.00 -2.10 0.00 0.00 70.33 69.42 2wdr n THR 188 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wdr n GLU 189 N 1.53 1.99 -0.13 -0.78 -0.58 -1.23 -4.78 120.64 116.65 2wdr n GLU 189 Ca 0.23 -3.13 -0.06 0.00 -0.42 0.00 0.00 57.16 53.78 2wdr n GLU 189 Cb 0.61 -1.96 0.02 0.00 -0.57 0.00 0.00 31.44 29.55 2wdr n GLU 189 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 2wdr h THR 190 N 1.00 0.99 -0.42 2.62 2.02 -1.92 -1.23 112.91 115.97 2wdr h THR 190 Ca 0.38 -0.15 -0.13 0.00 0.77 0.00 0.00 66.41 67.28 2wdr h THR 190 Cb 2.12 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 69.02 2wdr h THR 190 CO 0.66 0.08 -0.26 0.44 0.37 0.00 0.00 175.52 176.81 2wdr h ASP 191 N 0.45 0.91 -0.91 4.18 3.32 -1.97 -1.57 116.42 120.82 2wdr h ASP 191 Ca 0.18 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 2wdr h ASP 191 Cb 0.07 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2wdr h ASP 191 CO -0.12 1.12 0.54 -1.28 -1.72 0.00 0.00 179.24 177.78 2wdr h SER 192 N 0.75 1.10 0.03 6.45 0.87 -1.84 -1.77 113.55 119.14 2wdr h SER 192 Ca 0.09 -0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.58 2wdr h SER 192 Cb 0.82 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2wdr h SER 192 CO 0.07 0.85 -0.01 0.03 -0.53 0.00 0.00 176.83 177.23 2wdr h ARG 193 N 1.26 -0.04 -0.93 2.24 3.08 -0.88 -2.90 114.38 116.21 2wdr h ARG 193 Ca 0.33 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.41 2wdr h ARG 193 Cb -0.05 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.96 2wdr h ARG 193 CO -0.06 0.04 0.61 -0.07 -1.07 0.00 0.00 179.97 179.42 2wdr h LEU 194 N -0.10 1.01 -2.10 3.04 3.38 -1.02 -0.68 115.31 118.84 2wdr h LEU 194 Ca -0.00 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2wdr h LEU 194 Cb 0.09 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 2wdr h LEU 194 CO 0.01 0.69 -0.07 0.44 0.09 0.00 0.00 178.44 179.60 2wdr h ASP 195 N 1.17 0.00 0.67 -0.43 3.32 -1.13 -0.21 116.42 119.81 2wdr h ASP 195 Ca 0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.42 2wdr h ASP 195 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 2wdr h ASP 195 CO -0.11 0.07 -0.02 0.61 -1.72 0.00 0.00 179.24 178.06 2wdr n GLY 196 N -1.10 -1.32 0.81 2.75 0.00 -0.27 -3.73 105.19 102.33 2wdr n GLY 196 Ca -0.03 -0.15 0.04 0.00 0.00 0.00 0.00 46.02 45.88 2wdr n GLY 196 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdr n LEU 197 N -1.32 3.55 -0.38 0.99 4.77 -0.09 -4.71 117.00 119.81 2wdr n LEU 197 Ca 0.12 -3.43 0.11 0.00 -0.03 0.00 0.00 56.01 52.78 2wdr n LEU 197 Cb 0.28 -0.56 0.01 0.00 -2.33 0.00 0.00 43.42 40.82 2wdr n LEU 197 CO 0.25 1.00 0.28 -1.20 -1.33 0.00 0.00 177.39 176.38 2wdr n SER 198 N -1.00 1.74 -3.91 -1.43 7.64 -1.22 -4.48 113.62 110.96 2wdr n SER 198 Ca 0.25 -1.35 -0.30 0.00 1.01 0.00 0.00 58.87 58.47 2wdr n SER 198 Cb 0.88 0.53 0.23 0.00 -1.01 0.00 0.00 64.21 64.84 2wdr n SER 198 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2wdr s ASP 199 N -2.58 1.40 0.00 6.43 -4.77 -1.26 -4.95 116.67 110.94 2wdr s ASP 199 Ca 0.17 0.58 0.28 0.00 -3.30 0.00 0.00 52.55 50.28 2wdr s ASP 199 Cb 0.18 -0.80 1.28 0.00 -1.09 0.00 0.00 42.92 42.48 2wdr s ASP 199 CO 0.62 -3.83 1.93 0.00 0.70 0.00 0.00 175.17 174.59 2wdr n ALA 200 N -4.55 2.32 -0.06 2.11 0.00 -1.26 -4.27 120.51 114.80 2wdr n ALA 200 Ca 0.13 -0.11 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2wdr n ALA 200 Cb 0.59 -1.46 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 2wdr n ALA 200 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2wdr n PHE 201 N -1.43 0.00 -0.28 0.00 3.72 -1.26 -4.06 117.46 114.16 2wdr n PHE 201 Ca 0.09 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.42 2wdr n PHE 201 Cb 0.29 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.36 2wdr n PHE 201 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2wdr h SER 202 N -0.37 -1.56 0.00 4.37 0.02 -1.73 -3.18 113.55 111.09 2wdr h SER 202 Ca -0.31 0.27 -0.19 0.00 -0.84 0.00 0.00 61.79 60.73 2wdr h SER 202 Cb 1.30 0.74 -0.03 0.00 0.14 0.00 0.00 62.40 64.54 2wdr h SER 202 CO -0.17 -0.31 -1.70 0.52 -1.14 0.00 0.00 176.83 174.03 2wdr n VAL 203 N -5.40 0.71 1.38 2.27 0.31 -1.26 -2.25 118.33 114.09 2wdr n VAL 203 Ca 0.04 -0.28 0.12 0.00 -0.01 0.00 0.00 64.34 64.21 2wdr n VAL 203 Cb 0.35 -0.92 0.69 0.00 -0.91 0.00 0.00 33.84 33.05 2wdr n VAL 203 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2wdr n PHE 204 N -2.82 0.00 0.83 3.52 3.72 -1.24 -2.99 117.46 118.48 2wdr n PHE 204 Ca -0.21 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.27 2wdr n PHE 204 Cb 0.74 -0.14 0.43 0.00 -0.94 0.00 0.00 39.48 39.57 2wdr n PHE 204 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wdr n ARG 205 N -1.14 0.29 -3.16 -1.08 5.12 -1.20 -4.75 116.66 110.74 2wdr n ARG 205 Ca 0.15 0.11 -0.40 0.00 -1.93 0.00 0.00 57.85 55.78 2wdr n ARG 205 Cb 0.14 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.88 2wdr n ARG 205 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2wdr n HIS 207 N 5.07 0.34 -2.77 0.00 8.25 -1.26 -4.96 115.22 119.90 2wdr n HIS 207 Ca -0.02 -0.17 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 2wdr n HIS 207 Cb 0.50 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.63 2wdr n HIS 207 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2wdr n SER 208 N 1.45 -3.81 -0.11 0.41 7.64 -1.26 -4.93 113.62 113.01 2wdr n SER 208 Ca 0.18 -0.18 0.03 0.00 1.01 0.00 0.00 58.87 59.91 2wdr n SER 208 Cb 0.61 -2.57 0.34 0.00 -1.01 0.00 0.00 64.21 61.58 2wdr n SER 208 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2wdr h ILE 209 N -0.89 1.14 -0.20 0.44 2.04 -1.99 -3.47 117.51 114.57 2wdr h ILE 209 Ca -0.25 -0.27 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2wdr h ILE 209 Cb 1.17 0.29 -0.03 0.00 -0.74 0.00 0.00 36.82 37.51 2wdr h ILE 209 CO 0.26 0.14 -0.08 0.23 0.00 0.00 0.00 178.15 178.70 2wdr n MET 210 N -4.45 -0.81 -0.24 2.37 2.81 -1.26 -4.88 117.12 110.65 2wdr n MET 210 Ca 0.06 0.50 0.03 0.00 -1.81 0.00 0.00 57.70 56.48 2wdr n MET 210 Cb 0.06 -4.29 0.27 0.00 -0.71 0.00 0.00 33.22 28.55 2wdr n MET 210 CO 0.00 0.00 0.00 -0.91 1.51 0.00 0.00 175.97 176.57 2wdr h ASN 211 N 0.00 0.84 -0.47 7.83 4.21 -1.91 -2.97 115.58 123.11 2wdr h ASN 211 Ca -0.09 -0.01 0.08 0.00 1.21 0.00 0.00 56.30 57.50 2wdr h ASN 211 Cb 0.53 -0.19 -0.07 0.00 -1.12 0.00 0.00 38.32 37.48 2wdr h ASN 211 CO 0.13 0.56 0.07 0.00 -1.29 0.00 0.00 177.43 176.90 2wdr h VAL 213 N 0.20 1.21 0.00 0.00 2.07 -1.80 -3.11 116.25 114.82 2wdr h VAL 213 Ca 0.23 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.12 2wdr h VAL 213 Cb 0.32 1.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.70 2wdr h VAL 213 CO -0.33 0.17 0.00 -1.54 0.02 0.00 0.00 177.57 175.89 2wdr n SER 214 N -4.94 0.16 -0.03 0.57 3.41 -1.09 -3.09 113.62 108.61 2wdr n SER 214 Ca -0.07 0.56 -0.00 0.00 -0.26 0.00 0.00 58.87 59.10 2wdr n SER 214 Cb 0.15 -0.59 -0.08 0.00 -0.26 0.00 0.00 64.21 63.43 2wdr n SER 214 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2wdr n VAL 215 N -1.71 0.39 -1.56 -3.33 0.24 -1.18 -5.00 118.33 106.18 2wdr n VAL 215 Ca 0.01 -0.35 -0.51 0.00 -2.04 0.00 0.00 64.34 61.45 2wdr n VAL 215 Cb 0.06 -0.30 -0.06 0.00 -1.47 0.00 0.00 33.84 32.07 2wdr n VAL 215 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdr n PRO 217 N 7.41 0.16 -0.36 0.00 -0.04 -1.26 -1.02 135.00 139.90 2wdr n PRO 217 Ca 0.33 0.48 0.12 0.00 -0.04 0.00 0.00 63.50 64.39 2wdr n PRO 217 Cb 0.25 -1.87 0.31 0.00 -0.04 0.00 0.00 33.50 32.15 2wdr n PRO 217 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2wdr n LYS 218 N -2.19 2.72 -1.45 0.54 4.76 -1.26 -4.94 118.16 116.33 2wdr n LYS 218 Ca 0.01 -2.63 -0.14 0.00 -2.87 0.00 0.00 58.31 52.68 2wdr n LYS 218 Cb 0.16 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 31.74 2wdr n LYS 218 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wdr n GLY 219 N 1.62 1.37 3.88 0.72 0.00 -0.19 -4.99 105.19 107.61 2wdr n GLY 219 Ca 0.24 -0.36 -0.29 0.00 0.00 0.00 0.00 46.02 45.61 2wdr n GLY 219 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wdr s LEU 220 N -3.24 2.54 -0.49 0.99 1.43 -1.26 -5.05 118.68 113.60 2wdr s LEU 220 Ca 0.00 0.89 0.03 0.00 -1.03 0.00 0.00 54.13 54.02 2wdr s LEU 220 Cb 0.00 -3.43 0.16 0.00 0.03 0.00 0.00 46.19 42.95 2wdr s LEU 220 CO 0.00 -1.85 0.34 0.21 0.23 0.00 0.00 176.35 175.28 2wdr s ASN 221 N -4.46 3.03 0.53 2.29 3.84 -1.26 -4.71 114.94 114.20 2wdr s ASN 221 Ca 0.61 -3.07 0.20 0.00 0.21 0.00 0.00 52.86 50.81 2wdr s ASN 221 Cb -0.11 -0.90 1.38 0.00 -0.55 0.00 0.00 41.25 41.06 2wdr s ASN 221 CO 0.50 -0.19 2.13 -0.65 -2.79 0.00 0.00 177.10 176.10 2wdr h PRO 222 N 5.99 0.00 0.08 0.43 0.11 -1.90 -2.74 132.00 133.97 2wdr h PRO 222 Ca 0.14 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.26 2wdr h PRO 222 Cb 0.88 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.98 2wdr h PRO 222 CO 0.48 0.00 -0.10 1.15 -0.21 0.00 0.00 178.00 179.32 2wdr h THR 223 N 0.00 0.76 -0.38 -1.15 2.02 -1.95 -0.50 112.91 111.71 2wdr h THR 223 Ca 0.06 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2wdr h THR 223 Cb 0.23 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 2wdr h THR 223 CO -0.00 0.00 0.09 -0.09 0.37 0.00 0.00 175.52 175.89 2wdr h ARG 224 N -0.22 0.55 0.26 6.66 2.43 -1.93 0.09 114.38 122.23 2wdr h ARG 224 Ca 0.01 -0.09 -0.01 0.00 -0.81 0.00 0.00 59.98 59.08 2wdr h ARG 224 Cb 0.23 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 2wdr h ARG 224 CO -0.05 0.51 -0.12 0.00 -1.51 0.00 0.00 179.97 178.80 2wdr h ALA 225 N 1.56 -0.35 -0.58 2.80 0.00 -1.30 -1.16 119.26 120.24 2wdr h ALA 225 Ca 0.13 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.96 2wdr h ALA 225 Cb 0.21 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2wdr h ALA 225 CO -0.00 -0.54 0.39 0.82 0.00 0.00 0.00 179.25 179.92 2wdr h ILE 226 N -0.66 0.89 0.07 0.00 2.04 -0.88 0.22 117.51 119.19 2wdr h ILE 226 Ca -0.04 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.72 2wdr h ILE 226 Cb 0.46 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 2wdr h ILE 226 CO 0.06 0.07 -0.32 1.23 0.00 0.00 0.00 178.15 179.19 2wdr h GLY 227 N 0.38 -0.58 1.33 5.37 0.00 -0.46 -1.80 103.07 107.30 2wdr h GLY 227 Ca 0.27 0.38 0.02 0.00 0.00 0.00 0.00 47.33 47.99 2wdr h GLY 227 CO -0.07 -0.24 0.43 0.45 0.00 0.00 0.00 176.54 177.11 2wdr h HIS 228 N -0.52 0.79 -0.65 5.60 3.86 0.25 -2.08 115.15 122.40 2wdr h HIS 228 Ca 0.04 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.21 2wdr h HIS 228 Cb 0.57 -0.27 -0.03 0.00 1.06 0.00 0.00 27.41 28.75 2wdr h HIS 228 CO -0.31 0.48 0.18 0.82 0.86 0.00 0.00 177.93 179.97 2wdr h ILE 229 N 0.84 1.25 -0.74 2.45 2.04 -0.98 -1.91 117.51 120.46 2wdr h ILE 229 Ca 0.24 -0.89 -0.04 0.00 1.00 0.00 0.00 64.86 65.17 2wdr h ILE 229 Cb -0.05 0.60 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 2wdr h ILE 229 CO -0.06 0.34 0.30 0.11 0.00 0.00 0.00 178.15 178.85 2wdr h LYS 230 N 0.94 1.11 0.32 2.37 1.57 -0.66 0.16 116.57 122.38 2wdr h LYS 230 Ca 0.21 -0.20 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2wdr h LYS 230 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2wdr h LYS 230 CO -0.00 0.90 -0.29 0.77 -0.57 0.00 0.00 179.45 180.26 2wdr h SER 231 N 1.07 -0.76 -0.97 0.86 0.02 -1.13 0.06 113.55 112.71 2wdr h SER 231 Ca 0.25 0.06 0.14 0.00 -0.84 0.00 0.00 61.79 61.40 2wdr h SER 231 Cb 0.20 0.25 -0.08 0.00 0.14 0.00 0.00 62.40 62.91 2wdr h SER 231 CO -0.02 -0.42 0.61 0.24 -1.14 0.00 0.00 176.83 176.10 2wdr h MET 232 N -0.63 0.85 -0.54 3.45 2.86 -1.09 0.56 114.93 120.38 2wdr h MET 232 Ca -0.02 -0.05 -0.11 0.00 -2.06 0.00 0.00 59.70 57.46 2wdr h MET 232 Cb 0.56 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 32.01 2wdr h MET 232 CO -0.04 0.56 -0.08 -0.07 1.06 0.00 0.00 176.91 178.34 2wdr h LEU 233 N 0.87 1.01 -0.22 1.22 3.38 -0.39 -1.17 115.31 120.01 2wdr h LEU 233 Ca 0.49 -0.34 -0.08 0.00 0.09 0.00 0.00 57.88 58.04 2wdr h LEU 233 Cb 0.61 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.08 2wdr h LEU 233 CO -0.26 1.11 -0.18 -0.07 0.09 0.00 0.00 178.44 179.13 2wdr h LEU 234 N 0.89 0.53 -1.47 1.67 3.38 0.21 0.07 115.31 120.60 2wdr h LEU 234 Ca 0.14 -0.46 0.21 0.00 0.09 0.00 0.00 57.88 57.87 2wdr h LEU 234 Cb 0.64 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.17 2wdr h LEU 234 CO 0.04 0.88 0.61 -0.61 0.09 0.00 0.00 178.44 179.46 2wdr h GLN 235 N 0.19 0.41 0.09 1.13 5.75 0.30 -1.78 115.11 121.19 2wdr h GLN 235 Ca 0.04 -0.02 -0.35 0.00 -0.15 0.00 0.00 58.65 58.17 2wdr h GLN 235 Cb 0.72 -0.09 -0.03 0.00 1.07 0.00 0.00 27.48 29.15 2wdr h GLN 235 CO 0.05 0.27 -1.94 -2.13 -2.65 0.00 0.00 178.83 172.43 2wdr n ARG 236 N -4.53 0.71 -0.65 1.69 0.63 -0.46 -4.54 116.66 109.51 2wdr n ARG 236 Ca 0.20 0.31 0.01 0.00 -0.92 0.00 0.00 57.85 57.45 2wdr n ARG 236 Cb 0.72 -1.69 0.21 0.00 0.45 0.00 0.00 32.46 32.15 2wdr n ARG 236 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 2wdr n ASN 237 N -3.65 2.69 0.00 6.15 5.03 -0.01 -5.10 115.26 120.37 2wdr n ASN 237 Ca -0.34 -3.57 0.00 0.00 0.87 0.00 0.00 54.58 51.54 2wdr n ASN 237 Cb 0.97 -0.59 0.00 0.00 -1.02 0.00 0.00 39.78 39.14 2wdr n ASN 237 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43