#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 3.47 -0.03 3.17 3.52 -1.26 -1.27 118.95 126.55 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 -3.05 -0.02 0.00 -1.56 0.00 0.00 34.95 30.32 2wdr s ARG 2 CO 0.00 0.63 -0.25 -0.51 -0.81 0.00 0.00 175.30 174.36 2wdr s LEU 3 N -2.20 2.13 -0.08 -0.88 1.43 0.28 -4.92 118.68 114.44 2wdr s LEU 3 Ca 0.31 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.01 2wdr s LEU 3 Cb -0.13 -1.37 -0.01 0.00 0.03 0.00 0.00 46.19 44.72 2wdr s LEU 3 CO 0.23 0.31 -0.23 -1.61 0.23 0.00 0.00 176.35 175.27 2wdr s GLU 4 N -0.55 2.81 0.15 1.70 2.02 -1.26 -0.79 118.70 122.78 2wdr s GLU 4 Ca 0.08 -0.87 0.11 0.00 0.02 0.00 0.00 54.97 54.31 2wdr s GLU 4 Cb -0.11 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2wdr s GLU 4 CO -0.00 0.30 -0.25 -0.06 0.02 0.00 0.00 175.26 175.27 2wdr s PHE 5 N 0.04 2.25 -0.23 1.61 0.08 0.13 -1.11 117.98 120.74 2wdr s PHE 5 Ca -0.09 -0.38 0.01 0.00 0.12 0.00 0.00 56.93 56.58 2wdr s PHE 5 Cb -0.15 -1.18 0.06 0.00 -0.57 0.00 0.00 43.02 41.18 2wdr s PHE 5 CO 0.06 0.39 -0.05 0.45 -0.10 0.00 0.00 175.22 175.96 2wdr s SER 6 N -2.29 3.83 -0.08 1.36 0.15 -0.30 -0.38 113.70 115.98 2wdr s SER 6 Ca 0.16 -1.17 0.04 0.00 0.70 0.00 0.00 55.95 55.68 2wdr s SER 6 Cb -0.09 -1.17 -0.01 0.00 -1.71 0.00 0.00 66.02 63.04 2wdr s SER 6 CO 0.07 -0.24 -0.21 -0.63 1.20 0.00 0.00 173.24 173.44 2wdr s ILE 7 N 1.40 2.42 0.17 6.45 1.01 0.16 -0.58 121.20 132.23 2wdr s ILE 7 Ca -0.06 -0.92 -0.32 0.00 0.00 0.00 0.00 60.65 59.35 2wdr s ILE 7 Cb -0.19 -1.93 -0.12 0.00 0.01 0.00 0.00 42.46 40.23 2wdr s ILE 7 CO -0.06 0.56 1.73 0.00 0.00 0.00 0.00 174.94 177.18 2wdr n TYR 8 N 3.04 2.61 -4.66 3.97 9.36 -0.45 -0.95 117.16 130.09 2wdr n TYR 8 Ca -0.18 0.03 -0.27 0.00 3.32 0.00 0.00 57.90 60.80 2wdr n TYR 8 Cb 0.52 -2.67 -0.14 0.00 -0.63 0.00 0.00 39.34 36.43 2wdr n TYR 8 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 2wdr s ARG 9 N 1.65 1.49 -0.29 2.98 1.81 0.98 -4.50 118.95 123.07 2wdr s ARG 9 Ca 0.78 -1.07 -0.14 0.00 -1.72 0.00 0.00 55.73 53.58 2wdr s ARG 9 Cb -0.54 -1.69 0.14 0.00 -0.45 0.00 0.00 34.95 32.41 2wdr s ARG 9 CO 0.35 0.43 0.88 -0.47 -0.68 0.00 0.00 175.30 175.81 2wdr s TYR 10 N -0.87 -0.84 -0.20 -0.53 5.04 -1.26 -1.98 117.35 116.70 2wdr s TYR 10 Ca 0.09 1.53 -0.03 0.00 -2.44 0.00 0.00 57.07 56.22 2wdr s TYR 10 Cb -0.09 0.50 0.06 0.00 0.35 0.00 0.00 41.96 42.78 2wdr s TYR 10 CO 0.03 -0.42 0.05 1.21 -1.34 0.00 0.00 175.55 175.08 2wdr s ASN 11 N 2.17 2.96 0.52 4.32 2.47 -1.26 -1.39 114.94 124.72 2wdr s ASN 11 Ca -0.06 -0.87 0.34 0.00 0.42 0.00 0.00 52.86 52.69 2wdr s ASN 11 Cb -0.07 -0.57 1.49 0.00 -1.45 0.00 0.00 41.25 40.65 2wdr s ASN 11 CO -0.17 -0.32 1.77 -0.65 -3.72 0.00 0.00 177.10 174.01 2wdr h PRO 12 N 8.26 0.07 -0.00 0.43 0.11 -1.85 0.53 132.00 139.54 2wdr h PRO 12 Ca -0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wdr h PRO 12 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wdr h PRO 12 CO 0.34 0.04 -0.04 -0.25 -0.21 0.00 0.00 178.00 177.89 2wdr n ASP 13 N -4.26 0.10 0.00 -2.05 8.00 -1.26 -4.35 116.55 112.74 2wdr n ASP 13 Ca 0.27 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.70 2wdr n ASP 13 Cb 1.25 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 42.08 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 -1.29 0.00 -3.50 2.53 0.31 0.13 -5.07 118.33 111.45 2wdr n VAL 14 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.08 2wdr n VAL 14 Cb 0.27 -0.19 -0.08 0.00 -0.91 0.00 0.00 33.84 32.94 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 -3.27 6.36 0.10 4.52 1.01 0.14 -4.96 116.67 120.57 2wdr s ASP 15 Ca 0.00 0.42 -0.17 0.00 0.71 0.00 0.00 52.55 53.51 2wdr s ASP 15 Cb 0.00 -2.19 -0.06 0.00 1.01 0.00 0.00 42.92 41.68 2wdr s ASP 15 CO 0.00 0.01 1.51 -0.78 0.21 0.00 0.00 175.17 176.12 2wdr h ASP 16 N 7.20 0.58 -5.63 0.27 1.82 -1.90 -3.42 116.42 115.34 2wdr h ASP 16 Ca -0.38 -0.34 -0.28 0.00 -0.39 0.00 0.00 57.03 55.63 2wdr h ASP 16 Cb 1.16 -0.16 -0.14 0.00 0.68 0.00 0.00 39.33 40.88 2wdr h ASP 16 CO 0.72 0.79 -0.52 0.00 -1.61 0.00 0.00 179.24 178.61 2wdr s ALA 17 N -4.85 1.20 1.12 -0.78 0.00 -1.26 -5.11 121.76 112.07 2wdr s ALA 17 Ca -0.13 -1.71 -0.15 0.00 0.00 0.00 0.00 51.96 49.97 2wdr s ALA 17 Cb 0.08 1.37 0.25 0.00 0.00 0.00 0.00 23.12 24.83 2wdr s ALA 17 CO 0.78 -0.64 1.07 -2.14 0.00 0.00 0.00 175.76 174.82 2wdr s PRO 18 N -3.91 -0.53 -0.07 0.00 0.02 -1.26 -4.92 135.00 124.32 2wdr s PRO 18 Ca 0.38 0.43 -0.30 0.00 0.02 0.00 0.00 61.00 61.53 2wdr s PRO 18 Cb 0.05 -1.63 0.10 0.00 0.02 0.00 0.00 34.50 33.03 2wdr s PRO 18 CO 0.16 -3.36 0.84 -0.98 -0.33 0.00 0.00 177.00 173.33 2wdr s ARG 19 N -4.93 0.85 -0.18 5.54 1.70 -0.84 -5.00 118.95 116.09 2wdr s ARG 19 Ca 0.67 0.07 -0.14 0.00 -0.47 0.00 0.00 55.73 55.86 2wdr s ARG 19 Cb -0.18 0.40 -0.04 0.00 -0.57 0.00 0.00 34.95 34.55 2wdr s ARG 19 CO 0.59 -0.29 0.32 -1.64 -1.08 0.00 0.00 175.30 173.20 2wdr s MET 20 N -1.64 4.21 0.04 3.89 -1.94 -1.26 -0.01 119.30 122.59 2wdr s MET 20 Ca -0.04 0.10 0.06 0.00 -1.71 0.00 0.00 55.69 54.10 2wdr s MET 20 Cb -0.00 -3.48 -0.03 0.00 2.01 0.00 0.00 34.83 33.32 2wdr s MET 20 CO 0.02 0.12 -0.15 -1.14 -0.01 0.00 0.00 175.02 173.86 2wdr s GLN 21 N 0.84 2.15 0.14 2.03 0.74 -0.12 -4.88 119.66 120.56 2wdr s GLN 21 Ca 0.16 -0.95 -0.24 0.00 0.05 0.00 0.00 55.36 54.39 2wdr s GLN 21 Cb -0.14 -2.26 -0.08 0.00 1.10 0.00 0.00 33.01 31.64 2wdr s GLN 21 CO 0.05 0.55 0.73 -0.51 -0.55 0.00 0.00 175.29 175.56 2wdr s ASP 22 N -1.56 7.31 0.04 6.67 1.01 -1.26 -0.67 116.67 128.21 2wdr s ASP 22 Ca 0.16 1.55 0.02 0.00 0.71 0.00 0.00 52.55 54.98 2wdr s ASP 22 Cb -0.11 -2.46 -0.02 0.00 1.01 0.00 0.00 42.92 41.33 2wdr s ASP 22 CO 0.07 0.22 -0.06 -0.31 0.21 0.00 0.00 175.17 175.29 2wdr s TYR 23 N -1.09 0.57 -0.02 4.23 2.02 0.48 -4.97 117.35 118.57 2wdr s TYR 23 Ca 0.34 -0.54 0.04 0.00 -0.37 0.00 0.00 57.07 56.55 2wdr s TYR 23 Cb -0.22 -0.35 -0.01 0.00 -0.40 0.00 0.00 41.96 40.98 2wdr s TYR 23 CO 0.24 -0.12 -0.14 0.99 -1.57 0.00 0.00 175.55 174.96 2wdr s THR 24 N -1.54 1.10 -0.05 -0.71 2.01 -1.26 0.17 115.64 115.35 2wdr s THR 24 Ca -0.10 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 2wdr s THR 24 Cb -0.09 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.52 2wdr s THR 24 CO -0.00 0.31 0.00 -0.22 -0.69 0.00 0.00 174.62 174.03 2wdr s LEU 25 N -0.20 0.77 -0.14 4.42 2.96 0.03 -4.98 118.68 121.55 2wdr s LEU 25 Ca 0.03 -0.05 -0.29 0.00 -0.22 0.00 0.00 54.13 53.60 2wdr s LEU 25 Cb -0.07 -0.33 -0.02 0.00 0.50 0.00 0.00 46.19 46.27 2wdr s LEU 25 CO -0.00 -0.16 1.30 -1.61 -1.32 0.00 0.00 176.35 174.56 2wdr s GLU 26 N 1.60 4.24 -0.10 1.98 0.41 -1.26 -0.55 118.70 125.02 2wdr s GLU 26 Ca -0.01 1.72 0.03 0.00 -0.41 0.00 0.00 54.97 56.29 2wdr s GLU 26 Cb -0.13 -3.76 -0.01 0.00 -1.78 0.00 0.00 34.13 28.45 2wdr s GLU 26 CO -0.03 -0.70 -0.18 0.00 -0.49 0.00 0.00 175.26 173.86 2wdr s ALA 27 N 3.42 2.43 -0.29 5.21 0.00 -0.40 -4.97 121.76 127.17 2wdr s ALA 27 Ca 0.57 -0.95 -0.33 0.00 0.00 0.00 0.00 51.96 51.24 2wdr s ALA 27 Cb -0.23 -0.97 -0.10 0.00 0.00 0.00 0.00 23.12 21.82 2wdr s ALA 27 CO 0.17 0.34 2.17 -3.47 0.00 0.00 0.00 175.76 174.97 2wdr n ASP 28 N 3.21 2.58 0.01 0.00 -0.08 -1.26 -3.26 116.55 117.75 2wdr n ASP 28 Ca -0.18 0.40 -0.10 0.00 -1.51 0.00 0.00 54.79 53.40 2wdr n ASP 28 Cb 0.53 -1.36 -0.04 0.00 2.34 0.00 0.00 41.12 42.59 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 12.86 -0.09 -0.26 -0.67 4.81 -1.97 -3.06 114.58 126.19 2wdr h GLU 29 Ca -0.33 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 58.90 2wdr h GLU 29 Cb 1.29 0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.68 2wdr h GLU 29 CO 0.99 -0.06 0.15 0.78 -0.73 0.00 0.00 179.01 180.14 2wdr h GLY 30 N -0.10 0.38 -2.07 1.92 0.00 -2.01 -3.44 103.07 97.75 2wdr h GLY 30 Ca 0.06 -0.16 -0.46 0.00 0.00 0.00 0.00 47.33 46.77 2wdr h GLY 30 CO -0.15 0.16 0.37 -1.60 0.00 0.00 0.00 176.54 175.32 2wdr s ARG 31 N -5.94 3.99 0.16 4.80 3.52 -1.16 -5.09 118.95 119.23 2wdr s ARG 31 Ca -0.13 1.26 0.05 0.00 -0.13 0.00 0.00 55.73 56.78 2wdr s ARG 31 Cb 0.09 -2.13 -0.04 0.00 -1.56 0.00 0.00 34.95 31.31 2wdr s ARG 31 CO 0.71 -0.26 0.14 0.34 -0.81 0.00 0.00 175.30 175.42 2wdr s ASP 32 N -2.06 5.56 0.29 -2.12 2.15 -1.26 -4.78 116.67 114.44 2wdr s ASP 32 Ca 0.65 -0.12 0.05 0.00 0.43 0.00 0.00 52.55 53.56 2wdr s ASP 32 Cb -0.13 -1.46 -0.03 0.00 -0.30 0.00 0.00 42.92 40.99 2wdr s ASP 32 CO 0.17 0.07 0.24 0.00 -0.17 0.00 0.00 175.17 175.48 2wdr s MET 33 N -3.11 1.60 0.16 4.34 0.23 -1.26 -5.03 119.30 116.23 2wdr s MET 33 Ca 0.31 -1.91 -0.01 0.00 -1.03 0.00 0.00 55.69 53.06 2wdr s MET 33 Cb -0.10 0.31 -0.04 0.00 -1.53 0.00 0.00 34.83 33.47 2wdr s MET 33 CO 0.24 -0.58 0.34 -1.64 -2.03 0.00 0.00 175.02 171.35 2wdr s MET 34 N -3.64 3.51 0.31 3.16 -1.94 -1.26 0.42 119.30 119.86 2wdr s MET 34 Ca 0.40 -0.34 0.04 0.00 -1.71 0.00 0.00 55.69 54.08 2wdr s MET 34 Cb 0.04 -2.89 0.67 0.00 2.01 0.00 0.00 34.83 34.65 2wdr s MET 34 CO 0.23 0.46 1.84 1.25 -0.01 0.00 0.00 175.02 178.80 2wdr h LEU 35 N 2.35 0.82 -1.15 -0.03 5.85 -0.66 0.10 115.31 122.59 2wdr h LEU 35 Ca -0.47 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.27 2wdr h LEU 35 Cb 1.18 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 42.07 2wdr h LEU 35 CO 0.70 0.42 0.24 0.25 -0.34 0.00 0.00 178.44 179.71 2wdr h LEU 36 N 0.87 0.77 -0.21 2.25 5.85 -1.70 -0.01 115.31 123.12 2wdr h LEU 36 Ca 0.48 -0.09 0.05 0.00 0.84 0.00 0.00 57.88 59.17 2wdr h LEU 36 Cb 0.60 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 2wdr h LEU 36 CO -0.25 0.68 -0.15 0.44 -0.34 0.00 0.00 178.44 178.82 2wdr h ASP 37 N 0.84 -0.49 -0.21 1.25 3.32 -1.27 -0.05 116.42 119.80 2wdr h ASP 37 Ca 0.20 0.10 0.03 0.00 0.02 0.00 0.00 57.03 57.38 2wdr h ASP 37 Cb 0.15 0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.92 2wdr h ASP 37 CO -0.02 -0.19 0.05 0.00 -1.72 0.00 0.00 179.24 177.36 2wdr h ALA 38 N 0.99 0.22 -0.75 3.45 0.00 -1.01 -1.95 119.26 120.22 2wdr h ALA 38 Ca 0.12 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2wdr h ALA 38 Cb 0.33 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.10 2wdr h ALA 38 CO -0.30 -0.37 0.45 -0.07 0.00 0.00 0.00 179.25 178.96 2wdr h LEU 39 N 0.14 0.71 -0.84 0.00 3.38 -0.54 0.29 115.31 118.45 2wdr h LEU 39 Ca 0.09 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2wdr h LEU 39 Cb 0.08 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wdr h LEU 39 CO -0.12 0.46 -0.04 0.40 0.09 0.00 0.00 178.44 179.23 2wdr h ILE 40 N 0.84 1.25 -0.13 1.22 2.04 -0.74 -1.85 117.51 120.15 2wdr h ILE 40 Ca 0.33 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 65.04 2wdr h ILE 40 Cb 0.15 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2wdr h ILE 40 CO -0.16 0.38 -0.16 1.56 0.00 0.00 0.00 178.15 179.76 2wdr h GLN 41 N 0.76 0.34 -0.82 2.37 4.20 -0.52 -2.89 115.11 118.54 2wdr h GLN 41 Ca 0.14 -0.19 0.20 0.00 0.06 0.00 0.00 58.65 58.86 2wdr h GLN 41 Cb 0.51 0.01 -0.05 0.00 0.30 0.00 0.00 27.48 28.26 2wdr h GLN 41 CO 0.03 0.76 0.56 -0.07 -0.67 0.00 0.00 178.83 179.44 2wdr h LEU 42 N -0.06 0.22 -1.04 1.46 3.38 -0.25 0.15 115.31 119.17 2wdr h LEU 42 Ca 0.02 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 2wdr h LEU 42 Cb 0.71 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 2wdr h LEU 42 CO 0.04 0.09 -0.38 0.50 0.09 0.00 0.00 178.44 178.78 2wdr h LYS 43 N 0.22 0.00 -0.52 1.13 3.64 -1.13 0.36 116.57 120.27 2wdr h LYS 43 Ca 0.41 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.70 2wdr h LYS 43 Cb 1.26 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.06 2wdr h LYS 43 CO -0.09 0.38 -0.02 0.93 -2.27 0.00 0.00 179.45 178.38 2wdr h GLU 44 N 0.00 0.93 -0.03 1.90 5.08 -0.60 -2.51 114.58 119.35 2wdr h GLU 44 Ca -0.00 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 2wdr h GLU 44 Cb 0.84 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 30.02 2wdr h GLU 44 CO 0.05 0.97 -0.34 -0.22 -1.00 0.00 0.00 179.01 178.46 2wdr h LYS 45 N 0.80 0.29 -4.46 2.33 3.64 -1.22 -3.40 116.57 114.54 2wdr h LYS 45 Ca 0.14 -0.27 -0.65 0.00 -1.27 0.00 0.00 60.65 58.60 2wdr h LYS 45 Cb 0.56 0.07 -0.40 0.00 -0.41 0.00 0.00 32.23 32.04 2wdr h LYS 45 CO 0.03 0.94 -0.71 0.34 -2.27 0.00 0.00 179.45 177.79 2wdr s ASP 46 N -6.42 4.68 0.05 4.20 2.15 0.12 -4.99 116.67 116.47 2wdr s ASP 46 Ca -0.15 -2.27 0.13 0.00 0.43 0.00 0.00 52.55 50.69 2wdr s ASP 46 Cb 0.03 -1.61 0.58 0.00 -0.30 0.00 0.00 42.92 41.62 2wdr s ASP 46 CO 0.77 -0.36 1.42 -2.65 -0.17 0.00 0.00 175.17 174.18 2wdr n PRO 47 N 4.10 0.03 0.00 4.34 -0.02 -0.95 -2.63 135.00 139.87 2wdr n PRO 47 Ca 0.04 0.33 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 2wdr n PRO 47 Cb 0.41 -1.57 0.53 0.00 -0.02 0.00 0.00 33.50 32.85 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 -1.63 0.12 -4.62 2.55 3.41 -1.26 -4.82 113.62 107.37 2wdr n SER 48 Ca 0.02 0.32 -0.43 0.00 -0.26 0.00 0.00 58.87 58.52 2wdr n SER 48 Cb 0.14 -0.32 -0.02 0.00 -0.26 0.00 0.00 64.21 63.75 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 -3.00 3.76 -0.19 1.04 2.96 -1.08 -4.99 118.68 117.18 2wdr s LEU 49 Ca 0.13 1.12 -0.09 0.00 -0.22 0.00 0.00 54.13 55.08 2wdr s LEU 49 Cb 0.19 -3.54 -0.05 0.00 0.50 0.00 0.00 46.19 43.29 2wdr s LEU 49 CO 0.57 -1.26 0.12 -0.44 -1.32 0.00 0.00 176.35 174.02 2wdr s SER 50 N 3.54 6.11 0.24 3.68 0.01 -1.26 -4.92 113.70 121.10 2wdr s SER 50 Ca 0.61 0.22 -0.16 0.00 1.31 0.00 0.00 55.95 57.93 2wdr s SER 50 Cb -0.17 -2.06 0.01 0.00 0.21 0.00 0.00 66.02 64.01 2wdr s SER 50 CO 0.28 0.20 0.55 0.72 0.41 0.00 0.00 173.24 175.39 2wdr s PHE 51 N 0.25 0.07 0.08 2.43 -0.12 -1.26 -2.47 117.98 116.95 2wdr s PHE 51 Ca 0.08 -0.45 0.01 0.00 -0.05 0.00 0.00 56.93 56.51 2wdr s PHE 51 Cb -0.11 0.38 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 2wdr s PHE 51 CO -0.01 -1.02 0.21 1.03 -0.05 0.00 0.00 175.22 175.38 2wdr s ARG 52 N -3.94 3.38 -0.28 1.99 0.52 -1.26 -5.00 118.95 114.36 2wdr s ARG 52 Ca 0.15 -0.50 -0.28 0.00 -0.52 0.00 0.00 55.73 54.58 2wdr s ARG 52 Cb -0.02 -2.99 0.18 0.00 0.52 0.00 0.00 34.95 32.64 2wdr s ARG 52 CO 0.04 0.59 1.33 -0.98 0.02 0.00 0.00 175.30 176.30 2wdr s ARG 53 N -2.65 0.12 0.00 3.54 3.03 -1.26 -3.99 118.95 117.74 2wdr s ARG 53 Ca 0.34 0.05 0.00 0.00 2.03 0.00 0.00 55.73 58.16 2wdr s ARG 53 Cb -0.13 0.06 0.00 0.00 -1.03 0.00 0.00 34.95 33.85 2wdr s ARG 53 CO 0.27 -0.03 0.00 0.45 -1.13 0.00 0.00 175.30 174.86 2wdr n SER 54 N 0.81 0.00 0.24 -2.89 2.88 -1.26 -4.97 113.62 108.43 2wdr n SER 54 Ca -0.04 0.00 0.14 0.00 -1.33 0.00 0.00 58.87 57.64 2wdr n SER 54 Cb 0.58 0.03 0.44 0.00 -0.75 0.00 0.00 64.21 64.52 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 -3.15 -1.50 -0.55 0.00 0.00 -1.26 -4.73 116.66 105.47 2wdr n ARG 56 Ca 0.02 0.62 0.04 0.00 -0.00 0.00 0.00 57.85 58.53 2wdr n ARG 56 Cb 0.42 -4.70 0.07 0.00 -0.00 0.00 0.00 32.46 28.26 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 -1.09 0.59 -3.23 2.89 0.28 -1.26 -4.82 120.64 113.99 2wdr n GLU 57 Ca -0.09 -1.94 -0.16 0.00 -0.16 0.00 0.00 57.16 54.81 2wdr n GLU 57 Cb 0.39 -0.86 0.06 0.00 1.43 0.00 0.00 31.44 32.46 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 -0.50 -0.16 0.00 -1.84 0.00 -1.26 -4.91 105.19 96.52 2wdr n GLY 58 Ca 0.08 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.02 0.00 0.08 1.61 0.31 -1.26 -4.85 118.33 110.21 2wdr n VAL 59 Ca -0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.16 2wdr n VAL 59 Cb 0.57 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 33.29 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 1.19 0.52 0.14 0.00 0.00 -1.26 -4.88 105.19 100.90 2wdr n GLY 61 Ca -0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.22 -2.44 1.61 0.02 -1.92 -3.40 113.55 107.21 2wdr h SER 62 Ca 0.00 -0.10 -0.80 0.00 -0.84 0.00 0.00 61.79 60.05 2wdr h SER 62 Cb 0.00 0.06 -0.26 0.00 0.14 0.00 0.00 62.40 62.34 2wdr h SER 62 CO 0.00 -0.04 1.07 -0.90 -1.14 0.00 0.00 176.83 175.83 2wdr n ASP 63 N -5.14 6.79 -4.72 3.07 5.75 -1.26 -4.68 116.55 116.36 2wdr n ASP 63 Ca -0.09 -3.48 -0.41 0.00 -0.01 0.00 0.00 54.79 50.80 2wdr n ASP 63 Cb 0.17 -1.25 -0.04 0.00 -1.03 0.00 0.00 41.12 38.97 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 -1.31 2.79 0.04 6.12 0.00 -1.26 -2.17 107.32 111.52 2wdr s GLY 64 Ca 0.36 0.35 -0.05 0.00 0.00 0.00 0.00 44.72 45.38 2wdr s GLY 64 CO 0.00 1.41 0.08 1.08 0.00 0.00 0.00 173.10 175.67 2wdr s LEU 65 N 0.75 1.85 -0.64 0.66 1.43 -0.40 -4.55 118.68 117.78 2wdr s LEU 65 Ca 0.44 -0.54 -0.23 0.00 -1.03 0.00 0.00 54.13 52.78 2wdr s LEU 65 Cb -0.20 0.55 0.07 0.00 0.03 0.00 0.00 46.19 46.64 2wdr s LEU 65 CO 0.24 -0.49 0.94 0.21 0.23 0.00 0.00 176.35 177.48 2wdr s ASN 66 N -2.09 6.19 -0.27 2.29 3.84 0.45 -1.85 114.94 123.50 2wdr s ASN 66 Ca -0.05 -0.93 -0.07 0.00 0.21 0.00 0.00 52.86 52.01 2wdr s ASN 66 Cb -0.02 -2.41 -0.02 0.00 -0.55 0.00 0.00 41.25 38.26 2wdr s ASN 66 CO -0.04 -1.39 0.08 -0.04 -2.79 0.00 0.00 177.10 172.91 2wdr s MET 67 N 3.97 3.47 -1.42 0.43 -1.94 0.84 -1.62 119.30 123.02 2wdr s MET 67 Ca 0.23 -0.61 -0.10 0.00 -1.71 0.00 0.00 55.69 53.50 2wdr s MET 67 Cb -0.17 -3.36 0.07 0.00 2.01 0.00 0.00 34.83 33.38 2wdr s MET 67 CO 0.11 -0.28 0.67 0.09 -0.01 0.00 0.00 175.02 175.60 2wdr n ASN 68 N 4.92 -4.46 0.00 3.03 3.02 0.05 -1.87 115.26 119.95 2wdr n ASN 68 Ca -0.15 -0.51 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 2wdr n ASN 68 Cb 0.50 -3.62 0.00 0.00 -0.61 0.00 0.00 39.78 36.05 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 -1.40 0.89 3.19 7.41 0.00 -1.26 -5.04 105.19 108.98 2wdr n GLY 69 Ca -0.01 0.00 -0.23 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 -0.70 1.24 0.56 1.61 2.20 -0.78 -5.05 119.74 118.82 2wdr s LYS 70 Ca 0.00 -0.77 -0.16 0.00 -0.36 0.00 0.00 55.97 54.68 2wdr s LYS 70 Cb 0.00 -1.27 -0.05 0.00 -1.51 0.00 0.00 37.83 34.99 2wdr s LYS 70 CO 0.00 0.33 1.03 -0.80 -0.36 0.00 0.00 175.35 175.55 2wdr s ASN 71 N -0.90 6.16 0.00 1.43 0.01 -1.26 -0.11 114.94 120.26 2wdr s ASN 71 Ca 0.05 1.69 0.00 0.00 -0.71 0.00 0.00 52.86 53.89 2wdr s ASN 71 Cb -0.08 -2.52 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2wdr s ASN 71 CO 0.01 -0.91 0.00 0.61 -1.51 0.00 0.00 177.10 175.30 2wdr n GLY 72 N -1.35 -1.57 3.59 0.66 0.00 -0.77 -4.86 105.19 100.89 2wdr n GLY 72 Ca 0.08 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 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 3.61 0.38 0.99 1.43 -1.26 -1.28 118.68 122.55 2wdr s LEU 73 Ca 0.00 0.01 0.07 0.00 -1.03 0.00 0.00 54.13 53.18 2wdr s LEU 73 Cb 0.00 -1.90 0.75 0.00 0.03 0.00 0.00 46.19 45.07 2wdr s LEU 73 CO 0.00 0.18 1.93 0.00 0.23 0.00 0.00 176.35 178.69 2wdr h ALA 74 N 6.65 1.51 0.00 4.21 0.00 -1.80 -1.97 119.26 127.86 2wdr h ALA 74 Ca -0.35 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2wdr h ALA 74 Cb 1.18 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wdr h ALA 74 CO 0.67 0.35 0.00 0.00 0.00 0.00 0.00 179.25 180.28 2wdr n ILE 76 N -2.52 0.33 -3.27 0.00 -5.35 -1.00 -4.73 119.36 102.82 2wdr n ILE 76 Ca 0.00 -0.34 -0.43 0.00 -0.27 0.00 0.00 62.75 61.71 2wdr n ILE 76 Cb 0.19 0.88 -0.08 0.00 -1.74 0.00 0.00 39.64 38.89 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 -0.33 5.02 0.35 7.28 2.01 -0.78 -4.99 115.64 124.20 2wdr s THR 77 Ca 0.00 -0.29 -0.28 0.00 0.31 0.00 0.00 61.69 61.43 2wdr s THR 77 Cb 0.00 -4.10 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 2wdr s THR 77 CO 0.00 -0.50 1.24 -2.84 -0.69 0.00 0.00 174.62 171.84 2wdr s PRO 78 N 2.30 4.29 0.29 4.92 0.02 -1.26 -0.63 135.00 144.93 2wdr s PRO 78 Ca 0.14 2.07 0.04 0.00 0.02 0.00 0.00 61.00 63.26 2wdr s PRO 78 Cb -0.17 -2.97 0.69 0.00 0.02 0.00 0.00 34.50 32.07 2wdr s PRO 78 CO 0.14 -0.19 1.75 0.82 -0.33 0.00 0.00 177.00 179.19 2wdr h ILE 79 N 2.83 0.63 0.00 2.83 1.08 -0.32 -0.67 117.51 123.89 2wdr h ILE 79 Ca -0.49 -0.21 0.00 0.00 -0.39 0.00 0.00 64.86 63.78 2wdr h ILE 79 Cb 1.23 -0.03 0.00 0.00 -3.07 0.00 0.00 36.82 34.95 2wdr h ILE 79 CO 0.65 0.11 0.00 0.77 -0.69 0.00 0.00 178.15 178.99 2wdr h SER 80 N 0.61 0.00 0.84 1.72 4.64 -1.91 -0.65 113.55 118.80 2wdr h SER 80 Ca 0.55 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.87 2wdr h SER 80 Cb 0.91 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.00 2wdr h SER 80 CO -0.42 0.00 -0.68 0.00 -0.87 0.00 0.00 176.83 174.85 2wdr h ALA 81 N 2.05 0.55 0.00 5.18 0.00 -1.49 -3.36 119.26 122.20 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 0.13 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2wdr h ALA 81 CO 0.00 0.00 -1.29 1.28 0.00 0.00 0.00 179.25 179.24 2wdr n LEU 82 N -2.15 0.21 -4.69 0.00 4.77 -0.41 -5.01 117.00 109.73 2wdr n LEU 82 Ca 0.03 -0.17 -0.40 0.00 -0.03 0.00 0.00 56.01 55.44 2wdr n LEU 82 Cb 0.45 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.49 2wdr n LEU 82 CO 0.37 0.05 0.45 0.21 -1.33 0.00 0.00 177.39 177.14 2wdr s ASN 83 N -3.14 6.90 -0.02 -1.43 2.47 -0.39 -4.81 114.94 114.53 2wdr s ASN 83 Ca -0.02 1.10 0.02 0.00 0.42 0.00 0.00 52.86 54.38 2wdr s ASN 83 Cb 0.09 -2.41 0.00 0.00 -1.45 0.00 0.00 41.25 37.49 2wdr s ASN 83 CO 0.57 -0.23 -0.06 -1.10 -3.72 0.00 0.00 177.10 172.56 2wdr s GLN 84 N 1.43 0.65 0.23 0.43 -0.21 -1.26 -4.96 119.66 115.97 2wdr s GLN 84 Ca 0.36 -0.19 -0.31 0.00 0.02 0.00 0.00 55.36 55.23 2wdr s GLN 84 Cb -0.17 -0.64 -0.14 0.00 1.00 0.00 0.00 33.01 33.06 2wdr s GLN 84 CO 0.15 0.07 1.32 -0.35 -2.12 0.00 0.00 175.29 174.35 2wdr n PRO 85 N 3.31 1.76 -0.61 2.91 -0.04 -1.26 -2.50 135.00 138.56 2wdr n PRO 85 Ca -0.18 0.63 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 2wdr n PRO 85 Cb 0.55 -2.22 0.00 0.00 -0.04 0.00 0.00 33.50 31.79 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 2.03 1.68 3.26 0.55 0.00 -1.26 -5.00 105.19 106.45 2wdr n GLY 86 Ca 0.12 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.03 1.72 0.48 1.61 1.02 -1.04 -5.13 119.74 118.37 2wdr s LYS 87 Ca 0.00 -0.86 -0.20 0.00 0.02 0.00 0.00 55.97 54.93 2wdr s LYS 87 Cb 0.00 -1.72 -0.09 0.00 -0.52 0.00 0.00 37.83 35.50 2wdr s LYS 87 CO 0.00 0.46 1.03 0.15 -0.92 0.00 0.00 175.35 176.08 2wdr s LYS 88 N -0.74 3.83 -0.37 1.68 1.02 -1.26 -4.54 119.74 119.37 2wdr s LYS 88 Ca 0.09 1.35 -0.29 0.00 0.02 0.00 0.00 55.97 57.14 2wdr s LYS 88 Cb -0.09 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.13 2wdr s LYS 88 CO 0.00 -0.40 1.25 0.42 -0.92 0.00 0.00 175.35 175.70 2wdr s ILE 89 N -1.98 4.16 -0.21 2.17 1.01 -0.27 -4.83 121.20 121.25 2wdr s ILE 89 Ca 0.67 1.26 -0.17 0.00 0.00 0.00 0.00 60.65 62.41 2wdr s ILE 89 Cb -0.16 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.96 2wdr s ILE 89 CO 0.20 -0.66 0.46 -0.69 0.00 0.00 0.00 174.94 174.24 2wdr s VAL 90 N 4.52 5.15 -0.15 2.92 1.01 -1.26 -1.15 120.40 131.43 2wdr s VAL 90 Ca 0.54 0.82 0.00 0.00 0.00 0.00 0.00 61.98 63.34 2wdr s VAL 90 Cb -0.13 -3.78 0.03 0.00 0.00 0.00 0.00 36.38 32.49 2wdr s VAL 90 CO 0.26 0.20 -0.13 -0.63 0.00 0.00 0.00 175.10 174.81 2wdr s ILE 91 N 1.55 1.53 0.13 2.22 1.01 0.25 -0.77 121.20 127.12 2wdr s ILE 91 Ca 0.21 -0.67 0.03 0.00 0.00 0.00 0.00 60.65 60.22 2wdr s ILE 91 Cb -0.15 -1.48 -0.04 0.00 0.01 0.00 0.00 42.46 40.80 2wdr s ILE 91 CO 0.09 0.39 -0.06 -0.13 0.00 0.00 0.00 174.94 175.23 2wdr s ARG 92 N 1.49 0.95 0.80 2.79 0.52 -0.64 -1.34 118.95 123.52 2wdr s ARG 92 Ca 0.04 -1.41 -0.12 0.00 -0.52 0.00 0.00 55.73 53.72 2wdr s ARG 92 Cb -0.13 -0.34 0.08 0.00 0.52 0.00 0.00 34.95 35.08 2wdr s ARG 92 CO -0.10 -0.01 1.14 -2.14 0.02 0.00 0.00 175.30 174.21 2wdr s PRO 93 N -3.82 1.84 0.33 3.54 0.02 -1.26 -0.41 135.00 135.24 2wdr s PRO 93 Ca 0.16 1.47 -0.29 0.00 0.02 0.00 0.00 61.00 62.35 2wdr s PRO 93 Cb 0.05 -1.83 -0.12 0.00 0.02 0.00 0.00 34.50 32.62 2wdr s PRO 93 CO -0.02 -2.00 1.44 1.28 -0.33 0.00 0.00 177.00 177.37 2wdr n LEU 94 N -3.48 4.12 -4.77 -5.54 4.77 -1.26 -4.29 117.00 106.56 2wdr n LEU 94 Ca 0.11 1.20 -0.39 0.00 -0.03 0.00 0.00 56.01 56.90 2wdr n LEU 94 Cb 0.52 -1.55 0.00 0.00 -2.33 0.00 0.00 43.42 40.06 2wdr n LEU 94 CO 0.50 -0.12 0.94 -2.84 -1.33 0.00 0.00 177.39 174.54 2wdr s PRO 95 N -1.53 3.81 0.00 3.23 0.02 -1.25 -3.99 135.00 135.29 2wdr s PRO 95 Ca 0.58 2.10 0.00 0.00 0.02 0.00 0.00 61.00 63.70 2wdr s PRO 95 Cb -0.53 -2.62 0.00 0.00 0.02 0.00 0.00 34.50 31.37 2wdr s PRO 95 CO 0.59 -0.61 0.00 0.41 -0.33 0.00 0.00 177.00 177.06 2wdr n GLY 96 N 0.63 3.02 3.88 0.52 0.00 -1.26 -4.64 105.19 107.34 2wdr n GLY 96 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 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 4.17 0.34 0.99 1.43 -1.26 -5.02 118.68 119.34 2wdr s LEU 97 Ca 0.00 0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 53.69 2wdr s LEU 97 Cb 0.00 -3.63 -0.12 0.00 0.03 0.00 0.00 46.19 42.46 2wdr s LEU 97 CO 0.00 -0.07 1.24 -2.65 0.23 0.00 0.00 176.35 175.11 2wdr n PRO 98 N -0.16 1.99 -3.34 1.29 -0.02 -1.26 -4.82 135.00 128.68 2wdr n PRO 98 Ca 0.00 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.76 2wdr n PRO 98 Cb 0.52 -2.26 -0.09 0.00 -0.02 0.00 0.00 33.50 31.66 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 -1.10 5.11 -0.00 -1.45 1.01 -1.26 -1.16 120.40 121.55 2wdr s VAL 99 Ca 0.56 0.02 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 2wdr s VAL 99 Cb -0.58 -3.91 -0.19 0.00 0.00 0.00 0.00 36.38 31.69 2wdr s VAL 99 CO 0.62 -0.21 1.34 0.40 0.00 0.00 0.00 175.10 177.24 2wdr h ILE 100 N 5.61 1.34 -1.13 2.22 2.04 -1.41 -3.48 117.51 122.69 2wdr h ILE 100 Ca -0.28 -1.01 0.17 0.00 1.00 0.00 0.00 64.86 64.74 2wdr h ILE 100 Cb 1.13 1.99 -0.28 0.00 -0.74 0.00 0.00 36.82 38.92 2wdr h ILE 100 CO 0.74 0.26 0.47 -0.60 0.00 0.00 0.00 178.15 179.02 2wdr s ARG 101 N -4.51 0.23 1.41 2.37 6.06 -1.12 -4.74 118.95 118.65 2wdr s ARG 101 Ca -0.15 0.45 0.00 0.00 -2.50 0.00 0.00 55.73 53.53 2wdr s ARG 101 Cb 0.02 0.13 0.00 0.00 0.06 0.00 0.00 34.95 35.17 2wdr s ARG 101 CO 0.68 -0.06 0.00 -0.25 -2.50 0.00 0.00 175.30 173.17 2wdr n ASP 102 N 3.90 0.00 -1.17 -2.12 8.00 -0.49 -0.55 116.55 124.12 2wdr n ASP 102 Ca -0.15 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.47 2wdr n ASP 102 Cb 0.56 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.93 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 3.44 -4.59 0.64 4.77 -1.03 -4.68 117.00 115.54 2wdr n LEU 103 Ca 0.00 -1.61 -0.40 0.00 -0.03 0.00 0.00 56.01 53.98 2wdr n LEU 103 Cb 0.00 -0.34 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 2wdr n LEU 103 CO 0.00 0.80 0.13 -0.69 -1.33 0.00 0.00 177.39 176.31 2wdr s VAL 104 N -1.31 5.12 0.25 4.08 1.01 0.28 -4.75 120.40 125.08 2wdr s VAL 104 Ca 0.42 0.55 0.07 0.00 0.00 0.00 0.00 61.98 63.02 2wdr s VAL 104 Cb 0.23 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.79 2wdr s VAL 104 CO 0.31 0.05 0.23 0.68 0.00 0.00 0.00 175.10 176.37 2wdr s VAL 105 N 2.18 4.57 -0.59 2.92 -7.23 -1.26 -1.08 120.40 119.92 2wdr s VAL 105 Ca 0.17 -1.32 -0.22 0.00 -1.81 0.00 0.00 61.98 58.79 2wdr s VAL 105 Cb -0.16 -3.48 0.06 0.00 0.56 0.00 0.00 36.38 33.36 2wdr s VAL 105 CO 0.11 -0.34 0.88 -0.62 -0.31 0.00 0.00 175.10 174.82 2wdr s ASP 106 N -3.88 6.24 0.00 4.85 2.15 -0.30 -4.78 116.67 120.95 2wdr s ASP 106 Ca 0.33 -0.78 0.27 0.00 0.43 0.00 0.00 52.55 52.80 2wdr s ASP 106 Cb -0.08 -2.39 1.62 0.00 -0.30 0.00 0.00 42.92 41.76 2wdr s ASP 106 CO 0.26 -1.25 1.98 0.23 -0.17 0.00 0.00 175.17 176.21 2wdr n MET 107 N 7.27 0.88 -0.02 4.34 2.81 -1.26 -4.44 117.12 126.70 2wdr n MET 107 Ca -0.03 0.00 -0.00 0.00 -1.81 0.00 0.00 57.70 55.86 2wdr n MET 107 Cb 0.46 -1.48 -0.00 0.00 -0.71 0.00 0.00 33.22 31.48 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 0.74 -1.37 0.25 3.03 0.00 -1.26 -0.58 105.19 105.99 2wdr n GLY 108 Ca 0.20 0.29 0.09 0.00 0.00 0.00 0.00 46.02 46.60 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 0.30 1.61 4.20 -1.93 0.53 115.11 119.81 2wdr h GLN 109 Ca 0.01 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2wdr h GLN 109 Cb 0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.80 2wdr h GLN 109 CO -0.04 0.13 -0.14 0.35 -0.67 0.00 0.00 178.83 178.46 2wdr h PHE 110 N 0.00 -0.37 -0.73 2.96 3.57 -1.16 -1.76 116.94 119.46 2wdr h PHE 110 Ca -0.00 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.45 2wdr h PHE 110 Cb 0.28 0.12 -0.03 0.00 2.79 0.00 0.00 35.95 39.11 2wdr h PHE 110 CO 0.00 -0.09 0.29 1.88 -2.23 0.00 0.00 178.31 178.16 2wdr h TYR 111 N -0.63 1.09 -0.43 0.41 0.05 -0.67 -2.53 116.97 114.27 2wdr h TYR 111 Ca -0.04 -0.08 0.08 0.00 0.05 0.00 0.00 58.73 58.74 2wdr h TYR 111 Cb 0.45 -0.33 -0.07 0.00 1.01 0.00 0.00 36.73 37.79 2wdr h TYR 111 CO 0.00 0.83 0.01 0.00 -1.05 0.00 0.00 178.16 177.95 2wdr h ALA 112 N 1.26 0.41 -0.36 3.88 0.00 -0.79 -0.93 119.26 122.72 2wdr h ALA 112 Ca 0.24 0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.20 2wdr h ALA 112 Cb 0.20 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2wdr h ALA 112 CO -0.02 -0.38 -0.07 1.96 0.00 0.00 0.00 179.25 180.74 2wdr h GLN 113 N 0.13 0.61 -0.11 0.00 1.08 -0.93 -1.59 115.11 114.30 2wdr h GLN 113 Ca 0.22 -0.17 0.03 0.00 -1.45 0.00 0.00 58.65 57.28 2wdr h GLN 113 Cb 0.31 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.63 2wdr h GLN 113 CO -0.35 0.68 -0.11 -0.92 -0.95 0.00 0.00 178.83 177.18 2wdr h TYR 114 N 0.57 -0.28 -0.51 2.96 3.20 -0.86 -2.48 116.97 119.58 2wdr h TYR 114 Ca 0.11 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.94 2wdr h TYR 114 Cb 0.46 0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.85 2wdr h TYR 114 CO 0.02 -0.17 0.09 0.93 -1.64 0.00 0.00 178.16 177.39 2wdr h GLU 115 N -0.14 0.79 -0.98 1.82 5.08 -0.79 -2.84 114.58 117.52 2wdr h GLU 115 Ca 0.08 -0.17 0.22 0.00 -1.00 0.00 0.00 59.36 58.49 2wdr h GLU 115 Cb 0.25 -0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.31 2wdr h GLU 115 CO -0.19 0.74 0.63 0.87 -1.00 0.00 0.00 179.01 180.06 2wdr h LYS 116 N 0.76 0.45 -0.28 2.33 1.57 -0.83 0.57 116.57 121.15 2wdr h LYS 116 Ca 0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2wdr h LYS 116 Cb 0.33 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wdr h LYS 116 CO 0.00 0.30 0.00 0.44 -0.57 0.00 0.00 179.45 179.62 2wdr n ILE 117 N -4.59 0.37 -3.24 1.86 -6.64 -1.07 -4.95 119.36 101.09 2wdr n ILE 117 Ca 0.22 -0.37 -0.08 0.00 -1.77 0.00 0.00 62.75 60.76 2wdr n ILE 117 Cb 0.74 0.18 0.01 0.00 -1.44 0.00 0.00 39.64 39.13 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 0.30 -1.44 -1.60 6.28 5.02 0.19 -4.83 118.16 122.08 2wdr n LYS 118 Ca 0.09 1.25 -0.35 0.00 -2.02 0.00 0.00 58.31 57.28 2wdr n LYS 118 Cb 0.23 -5.07 -0.04 0.00 -0.02 0.00 0.00 35.03 30.14 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 -2.20 3.73 -3.77 1.97 -0.04 -1.26 -4.82 135.00 128.61 2wdr n PRO 119 Ca -0.07 -2.64 -0.13 0.00 -0.04 0.00 0.00 63.50 60.62 2wdr n PRO 119 Cb 0.55 -2.54 -0.10 0.00 -0.04 0.00 0.00 33.50 31.37 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 0.02 -0.27 0.09 0.54 -0.85 -1.26 -5.11 117.35 110.52 2wdr s TYR 120 Ca 0.61 0.59 -0.35 0.00 -0.52 0.00 0.00 57.07 57.40 2wdr s TYR 120 Cb 0.23 0.10 -0.15 0.00 0.38 0.00 0.00 41.96 42.52 2wdr s TYR 120 CO -0.09 -0.24 1.52 -0.11 -1.52 0.00 0.00 175.55 175.11 2wdr n LEU 121 N 2.30 2.56 -4.05 -3.49 7.94 -1.26 -4.95 117.00 116.05 2wdr n LEU 121 Ca -0.16 1.09 -0.33 0.00 -1.11 0.00 0.00 56.01 55.50 2wdr n LEU 121 Cb 0.57 -1.32 -0.14 0.00 0.53 0.00 0.00 43.42 43.06 2wdr n LEU 121 CO 0.18 -0.55 -0.28 -0.76 -1.11 0.00 0.00 177.39 174.87 2wdr s LEU 122 N 1.13 4.92 -0.18 -1.96 1.43 -1.26 -5.08 118.68 117.66 2wdr s LEU 122 Ca 0.83 -2.12 -0.01 0.00 -1.03 0.00 0.00 54.13 51.79 2wdr s LEU 122 Cb -0.80 -1.69 0.00 0.00 0.03 0.00 0.00 46.19 43.73 2wdr s LEU 122 CO 0.43 -0.43 -0.12 0.21 0.23 0.00 0.00 176.35 176.68 2wdr s ASN 123 N 1.18 3.80 0.00 2.29 3.84 -1.26 -1.20 114.94 123.59 2wdr s ASN 123 Ca 0.10 -0.47 0.11 0.00 0.21 0.00 0.00 52.86 52.81 2wdr s ASN 123 Cb -0.20 -1.61 0.66 0.00 -0.55 0.00 0.00 41.25 39.54 2wdr s ASN 123 CO -0.07 0.03 1.09 -0.46 -2.79 0.00 0.00 177.10 174.90 2wdr n ASN 124 N 4.45 0.00 0.00 -4.21 0.23 -1.26 -4.83 115.26 109.64 2wdr n ASN 124 Ca -0.19 -0.62 0.00 0.00 -0.53 0.00 0.00 54.58 53.23 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 -0.03 2.39 3.82 4.83 0.00 -1.26 -5.01 105.19 109.93 2wdr n GLY 125 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.10 4.25 -1.16 1.61 -0.21 -1.26 -4.02 119.66 118.76 2wdr s GLN 126 Ca 0.00 1.12 -0.17 0.00 0.02 0.00 0.00 55.36 56.33 2wdr s GLN 126 Cb 0.00 -2.23 -0.01 0.00 1.00 0.00 0.00 33.01 31.77 2wdr s GLN 126 CO 0.00 -0.00 0.78 0.09 -2.12 0.00 0.00 175.29 174.03 2wdr n ASN 127 N -0.55 -4.87 -4.74 5.90 3.02 -1.26 -4.92 115.26 107.84 2wdr n ASN 127 Ca 0.07 -0.97 -0.36 0.00 -0.03 0.00 0.00 54.58 53.28 2wdr n ASN 127 Cb 0.54 -3.58 0.06 0.00 -0.61 0.00 0.00 39.78 36.18 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 -5.86 2.63 0.51 3.52 0.02 -1.26 -4.99 135.00 129.58 2wdr s PRO 128 Ca 0.41 1.89 -0.19 0.00 0.02 0.00 0.00 61.00 63.13 2wdr s PRO 128 Cb -0.14 -1.88 -0.08 0.00 0.02 0.00 0.00 34.50 32.43 2wdr s PRO 128 CO 0.85 -1.49 1.03 -2.14 -0.33 0.00 0.00 177.00 174.92 2wdr s PRO 129 N -3.49 3.75 0.27 5.54 0.02 -1.26 -4.95 135.00 134.87 2wdr s PRO 129 Ca 0.78 1.25 -0.04 0.00 0.02 0.00 0.00 61.00 63.02 2wdr s PRO 129 Cb -0.32 -2.09 0.34 0.00 0.02 0.00 0.00 34.50 32.44 2wdr s PRO 129 CO 0.38 -0.46 1.88 0.00 -0.33 0.00 0.00 177.00 178.47 2wdr h ALA 130 N 1.26 1.25 -3.00 -1.55 0.00 -2.01 -3.45 119.26 111.75 2wdr h ALA 130 Ca -0.48 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2wdr h ALA 130 Cb 1.21 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2wdr h ALA 130 CO 0.59 0.59 0.00 0.54 0.00 0.00 0.00 179.25 180.97 2wdr n ARG 131 N -4.34 0.00 -2.75 0.00 1.74 -1.26 -5.10 116.66 104.95 2wdr n ARG 131 Ca 0.08 0.00 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 2wdr n ARG 131 Cb 0.12 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.50 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 1.53 4.14 0.13 5.56 1.03 -1.26 -4.99 118.70 124.84 2wdr s GLU 132 Ca 0.00 1.18 -0.35 0.00 0.03 0.00 0.00 54.97 55.83 2wdr s GLU 132 Cb 0.00 -2.17 -0.15 0.00 -0.80 0.00 0.00 34.13 31.00 2wdr s GLU 132 CO 0.00 -0.12 1.42 0.72 -1.33 0.00 0.00 175.26 175.95 2wdr n HIS 133 N -0.69 1.82 -2.73 4.83 8.25 -1.26 -4.83 115.22 120.60 2wdr n HIS 133 Ca 0.07 0.49 -0.43 0.00 -0.26 0.00 0.00 57.72 57.60 2wdr n HIS 133 Cb 0.54 -2.41 -0.03 0.00 1.12 0.00 0.00 29.99 29.20 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 0.64 3.95 -0.24 2.41 1.43 -1.26 -5.01 118.68 120.59 2wdr s LEU 134 Ca 0.81 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.67 2wdr s LEU 134 Cb -0.83 -3.38 0.06 0.00 0.03 0.00 0.00 46.19 42.07 2wdr s LEU 134 CO 0.44 -0.88 -0.05 -1.58 0.23 0.00 0.00 176.35 174.50 2wdr s GLN 135 N 3.59 1.65 0.61 1.70 0.74 -1.26 -5.03 119.66 121.66 2wdr s GLN 135 Ca 0.41 -1.04 -0.19 0.00 0.05 0.00 0.00 55.36 54.59 2wdr s GLN 135 Cb -0.12 -2.62 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 2wdr s GLN 135 CO 0.18 -0.61 1.29 -1.33 -0.55 0.00 0.00 175.29 174.27 2wdr n MET 136 N 4.65 1.30 -0.30 1.67 2.81 -1.26 -4.69 117.12 121.29 2wdr n MET 136 Ca -0.12 0.49 0.15 0.00 -1.81 0.00 0.00 57.70 56.41 2wdr n MET 136 Cb 0.44 -2.51 0.40 0.00 -0.71 0.00 0.00 33.22 30.83 2wdr n MET 136 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2wdr h PRO 137 N 0.84 0.62 -0.84 0.03 0.11 -2.00 0.79 132.00 131.55 2wdr h PRO 137 Ca -0.51 -0.04 0.06 0.00 0.11 0.00 0.00 66.00 65.63 2wdr h PRO 137 Cb 1.33 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.25 2wdr h PRO 137 CO 0.54 0.41 0.55 1.49 -0.21 0.00 0.00 178.00 180.78 2wdr h GLU 138 N 0.64 0.91 0.12 1.05 4.81 -2.01 -1.54 114.58 118.56 2wdr h GLU 138 Ca 0.50 -0.05 -0.24 0.00 -0.13 0.00 0.00 59.36 59.44 2wdr h GLU 138 Cb 0.93 -0.20 0.03 0.00 0.63 0.00 0.00 28.75 30.13 2wdr h GLU 138 CO -0.26 0.60 -1.03 1.96 -0.73 0.00 0.00 179.01 179.55 2wdr h GLN 139 N 0.93 0.48 -0.24 1.92 4.20 -1.25 -3.30 115.11 117.85 2wdr h GLN 139 Ca 0.36 -0.68 0.07 0.00 0.06 0.00 0.00 58.65 58.46 2wdr h GLN 139 Cb 0.22 0.23 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 2wdr h GLN 139 CO -0.13 1.30 0.18 -0.09 -0.67 0.00 0.00 178.83 179.42 2wdr h ARG 140 N -0.01 0.00 0.00 1.46 9.65 -0.65 -1.29 114.38 123.55 2wdr h ARG 140 Ca -0.16 0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.66 2wdr h ARG 140 Cb 1.76 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.33 2wdr h ARG 140 CO 0.20 0.00 -0.26 0.93 2.80 0.00 0.00 179.97 183.64 2wdr h GLU 141 N 0.00 0.00 0.00 0.20 5.08 -1.38 -2.55 114.58 115.93 2wdr h GLU 141 Ca 0.12 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2wdr h GLU 141 Cb 0.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.72 2wdr h GLU 141 CO -0.00 0.26 -0.02 0.87 -1.00 0.00 0.00 179.01 179.12 2wdr h LYS 142 N 0.00 0.00 0.00 2.33 1.57 -1.37 0.64 116.57 119.73 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 0.51 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2wdr h LYS 142 CO 0.03 0.02 -0.04 -0.07 -0.57 0.00 0.00 179.45 178.82 2wdr h LEU 143 N 0.00 0.00 -9.57 2.94 3.38 -1.59 -3.45 115.31 107.01 2wdr h LEU 143 Ca -0.00 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 2wdr h LEU 143 Cb 0.11 0.00 0.03 0.00 0.09 0.00 0.00 40.66 40.89 2wdr h LEU 143 CO 0.00 0.00 0.73 -1.81 0.09 0.00 0.00 178.44 177.46 2wdr s ASP 144 N -5.30 6.81 0.00 -0.43 1.01 0.21 -1.36 116.67 117.60 2wdr s ASP 144 Ca 0.09 2.37 0.00 0.00 0.71 0.00 0.00 52.55 55.72 2wdr s ASP 144 Cb 0.09 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.43 2wdr s ASP 144 CO 0.64 -0.65 0.00 0.61 0.21 0.00 0.00 175.17 175.97 2wdr n GLY 145 N 3.33 0.81 0.30 0.21 0.00 -1.26 -4.86 105.19 103.72 2wdr n GLY 145 Ca 0.11 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 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 2.11 -0.00 0.99 4.77 -0.47 -4.60 117.00 119.80 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 -0.07 0.60 0.00 -2.33 0.00 0.00 43.42 41.63 2wdr n LEU 146 CO 0.00 0.38 0.94 0.00 -1.33 0.00 0.00 177.39 177.38 2wdr n TYR 147 N -2.73 0.00 0.76 -1.77 0.18 -0.91 -3.74 117.16 108.95 2wdr n TYR 147 Ca -0.04 0.00 0.13 0.00 1.88 0.00 0.00 57.90 59.87 2wdr n TYR 147 Cb 0.53 -0.49 0.41 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 -1.50 0.17 -1.59 -3.48 4.71 -1.26 -4.89 120.64 112.80 2wdr n GLU 148 Ca 0.07 0.11 -0.49 0.00 -0.01 0.00 0.00 57.16 56.84 2wdr n GLU 148 Cb 0.34 -1.67 -0.04 0.00 -1.01 0.00 0.00 31.44 29.06 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 1.80 1.44 -3.97 0.00 -5.35 -1.26 -4.97 119.36 107.05 2wdr n ILE 150 Ca 0.16 -1.11 -0.34 0.00 -0.27 0.00 0.00 62.75 61.18 2wdr n ILE 150 Cb 0.24 0.31 -0.00 0.00 -1.74 0.00 0.00 39.64 38.44 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 1.35 -1.61 0.03 7.28 4.77 -1.26 -4.48 117.00 123.08 2wdr n LEU 151 Ca 0.25 -1.14 0.11 0.00 -0.03 0.00 0.00 56.01 55.20 2wdr n LEU 151 Cb 0.76 -1.99 0.06 0.00 -2.33 0.00 0.00 43.42 39.92 2wdr n LEU 151 CO 0.20 0.56 0.09 0.00 -1.33 0.00 0.00 177.39 176.92 2wdr n ALA 153 N -1.79 0.00 -0.06 0.00 0.00 -1.26 -4.66 120.51 112.74 2wdr n ALA 153 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.38 2wdr n ALA 153 Cb 0.42 -0.15 -0.02 0.00 0.00 0.00 0.00 19.45 19.70 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 -0.42 0.69 0.00 0.00 0.02 -1.94 -1.68 113.55 110.21 2wdr h SER 156 Ca 0.00 -0.11 0.00 0.00 -0.84 0.00 0.00 61.79 60.84 2wdr h SER 156 Cb 0.60 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.97 2wdr h SER 156 CO 0.01 0.61 0.00 0.35 -1.14 0.00 0.00 176.83 176.66 2wdr n THR 157 N -4.60 0.00 0.08 -2.27 -2.24 -0.89 -1.36 114.28 103.00 2wdr n THR 157 Ca 0.03 0.00 0.03 0.00 -2.27 0.00 0.00 64.05 61.84 2wdr n THR 157 Cb 0.10 -0.43 0.06 0.00 -2.10 0.00 0.00 70.33 67.96 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 -0.84 2.05 -4.55 3.42 3.41 -0.66 -3.94 113.62 112.51 2wdr n SER 158 Ca 0.13 -1.64 -0.40 0.00 -0.26 0.00 0.00 58.87 56.71 2wdr n SER 158 Cb 0.06 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 63.84 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 8.44 0.29 -0.62 0.00 0.11 -1.93 -0.90 132.00 137.39 2wdr h PRO 160 Ca -0.32 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.84 2wdr h PRO 160 Cb 1.16 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.17 2wdr h PRO 160 CO 0.62 0.19 0.41 0.77 -0.21 0.00 0.00 178.00 179.78 2wdr h SER 161 N 0.30 0.50 0.43 -2.05 0.02 -1.94 0.21 113.55 111.02 2wdr h SER 161 Ca 0.34 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.14 2wdr h SER 161 Cb 0.50 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 62.93 2wdr h SER 161 CO -0.40 0.32 -0.66 0.15 -1.14 0.00 0.00 176.83 175.09 2wdr h PHE 162 N 0.57 0.29 -0.63 3.45 3.57 -1.50 -2.62 116.94 120.06 2wdr h PHE 162 Ca 0.27 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 2wdr h PHE 162 Cb 0.33 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 39.00 2wdr h PHE 162 CO -0.00 0.81 0.33 -1.49 -2.23 0.00 0.00 178.31 175.73 2wdr h TRP 163 N 0.15 0.89 0.00 0.41 6.55 0.51 -1.98 115.95 122.48 2wdr h TRP 163 Ca -0.01 -0.03 -0.06 0.00 0.95 0.00 0.00 58.89 59.73 2wdr h TRP 163 Cb 1.19 -0.28 -0.01 0.00 -0.86 0.00 0.00 29.16 29.20 2wdr h TRP 163 CO 0.02 0.65 -0.74 -1.49 -1.05 0.00 0.00 178.44 175.84 2wdr h TRP 164 N 0.87 0.00 -1.57 0.49 -0.00 -1.22 -3.39 115.95 111.13 2wdr h TRP 164 Ca 0.22 0.00 -0.43 0.00 -0.00 0.00 0.00 58.89 58.68 2wdr h TRP 164 Cb 0.08 0.00 -0.35 0.00 -0.00 0.00 0.00 29.16 28.89 2wdr h TRP 164 CO -0.00 0.25 -1.03 0.09 -0.00 0.00 0.00 178.44 177.75 2wdr n ASN 165 N -2.96 0.08 0.00 -3.49 3.02 -0.99 -4.97 115.26 105.95 2wdr n ASN 165 Ca -0.01 -3.13 0.03 0.00 -0.03 0.00 0.00 54.58 51.45 2wdr n ASN 165 Cb 0.66 -0.07 0.18 0.00 -0.61 0.00 0.00 39.78 39.94 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 0.40 0.12 0.00 3.52 -0.04 -0.75 -0.90 135.00 137.35 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 0.66 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.62 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 0.69 -0.02 3.54 5.75 -1.26 -4.72 116.55 119.28 2wdr n ASP 167 Ca 0.04 -0.94 -0.03 0.00 -0.01 0.00 0.00 54.79 53.84 2wdr n ASP 167 Cb 0.05 0.07 -0.02 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.07 0.91 -2.94 0.11 5.02 -0.43 -5.00 118.16 115.76 2wdr n LYS 168 Ca 0.00 0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.92 2wdr n LYS 168 Cb 0.05 -1.10 -0.06 0.00 -0.02 0.00 0.00 35.03 33.91 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 -2.10 3.91 0.15 2.13 5.36 -0.08 -3.45 117.98 123.91 2wdr s PHE 169 Ca -0.05 1.67 -0.06 0.00 -0.96 0.00 0.00 56.93 57.53 2wdr s PHE 169 Cb 0.02 -2.81 -0.00 0.00 -0.34 0.00 0.00 43.02 39.88 2wdr s PHE 169 CO 0.12 0.49 1.41 0.82 -1.46 0.00 0.00 175.22 176.60 2wdr h ILE 170 N 3.36 1.33 0.00 3.12 1.08 -1.65 -3.44 117.51 121.31 2wdr h ILE 170 Ca -0.46 -1.98 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 2wdr h ILE 170 Cb 1.21 1.96 0.00 0.00 -3.07 0.00 0.00 36.82 36.91 2wdr h ILE 170 CO 0.67 0.61 0.00 0.61 -0.69 0.00 0.00 178.15 179.35 2wdr n GLY 171 N 0.52 -0.08 0.41 5.37 0.00 -1.26 -4.24 105.19 105.91 2wdr n GLY 171 Ca -0.05 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.71 -0.43 1.61 0.11 -1.91 -1.25 132.00 129.41 2wdr h PRO 172 Ca 0.00 0.05 0.09 0.00 0.11 0.00 0.00 66.00 66.25 2wdr h PRO 172 Cb 0.00 0.16 -0.09 0.00 0.11 0.00 0.00 31.00 31.18 2wdr h PRO 172 CO 0.00 -0.48 -0.24 0.00 -0.21 0.00 0.00 178.00 177.08 2wdr h ALA 173 N -0.31 0.04 -0.16 -0.75 0.00 -1.92 -0.97 119.26 115.19 2wdr h ALA 173 Ca -0.01 0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 2wdr h ALA 173 Cb 0.70 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2wdr h ALA 173 CO -0.13 -0.60 0.09 0.78 0.00 0.00 0.00 179.25 179.39 2wdr h GLY 174 N -0.16 0.23 2.00 0.00 0.00 -1.67 -2.69 103.07 100.78 2wdr h GLY 174 Ca 0.20 -0.10 -0.06 0.00 0.00 0.00 0.00 47.33 47.38 2wdr h GLY 174 CO -0.52 0.10 -0.27 1.41 0.00 0.00 0.00 176.54 177.26 2wdr h LEU 175 N 0.17 0.00 -0.24 3.11 3.38 -0.73 0.11 115.31 121.12 2wdr h LEU 175 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 2wdr h LEU 175 Cb 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2wdr h LEU 175 CO -0.01 0.27 0.08 0.25 0.09 0.00 0.00 178.44 179.12 2wdr h LEU 176 N 0.00 0.35 -0.65 1.67 5.85 -0.98 -0.60 115.31 120.95 2wdr h LEU 176 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2wdr h LEU 176 Cb 0.48 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 2wdr h LEU 176 CO 0.03 0.46 0.38 0.00 -0.34 0.00 0.00 178.44 178.97 2wdr h ALA 177 N 0.91 0.84 -0.68 1.25 0.00 -0.97 -0.33 119.26 120.28 2wdr h ALA 177 Ca 0.08 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.95 2wdr h ALA 177 Cb 0.23 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 2wdr h ALA 177 CO -0.00 0.33 0.39 0.00 0.00 0.00 0.00 179.25 179.97 2wdr h ALA 178 N 1.19 0.90 -0.19 0.00 0.00 -0.48 -1.75 119.26 118.94 2wdr h ALA 178 Ca 0.23 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2wdr h ALA 178 Cb 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wdr h ALA 178 CO -0.04 0.10 -0.48 -0.92 0.00 0.00 0.00 179.25 177.91 2wdr h TYR 179 N 0.74 0.61 -0.35 0.00 3.20 -0.60 -0.55 116.97 120.02 2wdr h TYR 179 Ca 0.29 -0.19 0.10 0.00 3.14 0.00 0.00 58.73 62.07 2wdr h TYR 179 Cb 0.14 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2wdr h TYR 179 CO -0.07 0.88 0.40 -0.09 -1.64 0.00 0.00 178.16 177.65 2wdr h ARG 180 N 0.40 0.00 0.00 1.82 9.65 -0.17 -0.59 114.38 125.49 2wdr h ARG 180 Ca 0.02 0.00 -0.21 0.00 -1.10 0.00 0.00 59.98 58.69 2wdr h ARG 180 Cb 0.99 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.53 2wdr h ARG 180 CO 0.09 0.00 -2.18 1.19 2.80 0.00 0.00 179.97 181.87 2wdr n PHE 181 N -3.67 0.00 0.11 2.20 3.72 -0.91 -3.65 117.46 115.26 2wdr n PHE 181 Ca 0.06 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.48 2wdr n PHE 181 Cb 0.56 -0.77 0.37 0.00 -0.94 0.00 0.00 39.48 38.70 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 0.24 -2.95 4.37 3.38 0.33 -3.00 115.31 117.67 2wdr h LEU 182 Ca -0.32 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.60 2wdr h LEU 182 Cb 1.70 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 42.39 2wdr h LEU 182 CO 0.02 0.42 0.00 2.30 0.09 0.00 0.00 178.44 181.26 2wdr n ILE 183 N -4.25 1.27 -2.39 1.22 -6.64 -0.40 -4.92 119.36 103.26 2wdr n ILE 183 Ca -0.01 -1.16 -0.43 0.00 -1.77 0.00 0.00 62.75 59.38 2wdr n ILE 183 Cb 0.29 0.35 -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 -1.15 6.56 0.59 7.28 -1.08 -1.14 -4.85 116.67 122.88 2wdr s ASP 184 Ca 0.30 1.12 0.29 0.00 -0.52 0.00 0.00 52.55 53.74 2wdr s ASP 184 Cb 0.18 -2.54 1.52 0.00 -1.46 0.00 0.00 42.92 40.62 2wdr s ASP 184 CO 0.17 -1.19 1.96 0.77 0.52 0.00 0.00 175.17 177.39 2wdr h SER 185 N 9.76 0.00 1.17 -0.34 4.64 -1.90 0.19 113.55 127.07 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 1.05 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.55 2wdr n ARG 186 N -3.77 0.11 -3.13 4.77 1.74 -1.26 -4.74 116.66 110.37 2wdr n ARG 186 Ca 0.07 0.11 -0.40 0.00 -0.77 0.00 0.00 57.85 56.85 2wdr n ARG 186 Cb 0.57 -1.63 -0.06 0.00 -1.02 0.00 0.00 32.46 30.32 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 -3.65 6.60 -0.04 0.55 2.15 0.68 -4.54 116.67 118.43 2wdr s ASP 187 Ca 0.12 0.73 0.17 0.00 0.43 0.00 0.00 52.55 54.00 2wdr s ASP 187 Cb 0.16 -2.33 0.52 0.00 -0.30 0.00 0.00 42.92 40.97 2wdr s ASP 187 CO 0.54 -0.32 1.44 0.35 -0.17 0.00 0.00 175.17 177.02 2wdr n THR 188 N 4.98 1.26 -1.40 1.71 -2.24 -0.34 -4.40 114.28 113.85 2wdr n THR 188 Ca -0.01 -1.11 -0.07 0.00 -2.27 0.00 0.00 64.05 60.59 2wdr n THR 188 Cb 0.49 0.37 0.20 0.00 -2.10 0.00 0.00 70.33 69.29 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 0.96 1.97 -0.12 -0.78 -0.58 -1.23 -4.78 120.64 116.08 2wdr n GLU 189 Ca 0.20 -3.15 -0.05 0.00 -0.42 0.00 0.00 57.16 53.74 2wdr n GLU 189 Cb 0.62 -1.88 0.03 0.00 -0.57 0.00 0.00 31.44 29.64 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 1.06 0.77 -0.57 2.62 2.02 -1.92 -1.52 112.91 115.37 2wdr h THR 190 Ca 0.28 -0.06 -0.09 0.00 0.77 0.00 0.00 66.41 67.31 2wdr h THR 190 Cb 1.85 0.57 -0.02 0.00 -1.74 0.00 0.00 68.15 68.81 2wdr h THR 190 CO 0.50 0.03 0.02 0.44 0.37 0.00 0.00 175.52 176.88 2wdr h ASP 191 N 0.18 0.96 -0.91 4.18 3.32 -1.97 -1.70 116.42 120.48 2wdr h ASP 191 Ca 0.19 -0.30 -0.01 0.00 0.02 0.00 0.00 57.03 56.94 2wdr h ASP 191 Cb 0.25 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 2wdr h ASP 191 CO -0.27 1.02 0.54 -1.28 -1.72 0.00 0.00 179.24 177.52 2wdr h SER 192 N 0.87 1.10 -0.05 6.45 0.87 -1.83 -1.52 113.55 119.45 2wdr h SER 192 Ca 0.16 -0.08 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2wdr h SER 192 Cb 0.52 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 62.19 2wdr h SER 192 CO 0.02 0.85 0.03 0.03 -0.53 0.00 0.00 176.83 177.24 2wdr h ARG 193 N 1.25 0.07 -0.95 2.24 3.08 -1.02 -2.92 114.38 116.13 2wdr h ARG 193 Ca 0.32 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.40 2wdr h ARG 193 Cb -0.04 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 2wdr h ARG 193 CO -0.06 0.08 0.62 -0.07 -1.07 0.00 0.00 179.97 179.48 2wdr h LEU 194 N 0.04 1.04 -1.95 3.04 3.38 -0.96 -0.41 115.31 119.49 2wdr h LEU 194 Ca 0.02 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 2wdr h LEU 194 Cb 0.03 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2wdr h LEU 194 CO -0.00 0.72 -0.10 0.44 0.09 0.00 0.00 178.44 179.59 2wdr h ASP 195 N 1.21 0.00 0.84 -0.43 3.32 -1.13 0.07 116.42 120.30 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 -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2wdr h ASP 195 CO -0.11 0.10 0.00 0.61 -1.72 0.00 0.00 179.24 178.12 2wdr n GLY 196 N -1.05 -1.37 0.86 2.75 0.00 -0.17 -3.68 105.19 102.53 2wdr n GLY 196 Ca -0.02 -0.10 0.03 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.46 3.67 -0.49 0.99 4.77 0.01 -4.72 117.00 119.76 2wdr n LEU 197 Ca 0.08 -3.43 0.10 0.00 -0.03 0.00 0.00 56.01 52.72 2wdr n LEU 197 Cb 0.29 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 2wdr n LEU 197 CO 0.24 1.00 0.31 -1.20 -1.33 0.00 0.00 177.39 176.41 2wdr n SER 198 N -0.97 2.00 -4.04 -1.43 7.64 -1.22 -4.47 113.62 111.12 2wdr n SER 198 Ca 0.26 -1.50 -0.30 0.00 1.01 0.00 0.00 58.87 58.34 2wdr n SER 198 Cb 0.90 0.44 0.21 0.00 -1.01 0.00 0.00 64.21 64.76 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 -2.30 1.76 0.00 6.43 -4.77 -1.26 -4.95 116.67 111.58 2wdr s ASP 199 Ca 0.18 0.62 0.26 0.00 -3.30 0.00 0.00 52.55 50.30 2wdr s ASP 199 Cb 0.17 -0.88 1.17 0.00 -1.09 0.00 0.00 42.92 42.30 2wdr s ASP 199 CO 0.51 -3.60 1.85 0.00 0.70 0.00 0.00 175.17 174.63 2wdr n ALA 200 N -4.41 2.22 -0.07 2.11 0.00 -1.26 -4.20 120.51 114.91 2wdr n ALA 200 Ca 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 53.44 53.34 2wdr n ALA 200 Cb 0.59 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 18.57 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 -0.16 0.00 3.72 -1.26 -3.99 117.46 114.34 2wdr n PHE 201 Ca 0.08 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.39 2wdr n PHE 201 Cb 0.27 -0.51 -0.04 0.00 -0.94 0.00 0.00 39.48 38.27 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 -0.26 -1.41 0.00 4.37 0.02 -1.72 -3.19 113.55 111.36 2wdr h SER 202 Ca -0.33 0.23 -0.19 0.00 -0.84 0.00 0.00 61.79 60.66 2wdr h SER 202 Cb 1.38 0.63 -0.03 0.00 0.14 0.00 0.00 62.40 64.52 2wdr h SER 202 CO -0.13 -0.35 -1.73 0.52 -1.14 0.00 0.00 176.83 174.00 2wdr n VAL 203 N -5.41 0.73 1.20 2.27 0.31 -1.26 -2.21 118.33 113.96 2wdr n VAL 203 Ca 0.00 -0.31 0.12 0.00 -0.01 0.00 0.00 64.34 64.14 2wdr n VAL 203 Cb 0.35 -0.92 0.62 0.00 -0.91 0.00 0.00 33.84 32.98 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 -2.79 0.00 0.52 3.52 3.72 -1.24 -3.02 117.46 118.16 2wdr n PHE 204 Ca -0.22 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.23 2wdr n PHE 204 Cb 0.76 -0.24 0.27 0.00 -0.94 0.00 0.00 39.48 39.33 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 -1.24 0.16 -3.20 -1.08 5.12 -1.20 -4.74 116.66 110.47 2wdr n ARG 205 Ca 0.12 0.18 -0.39 0.00 -1.93 0.00 0.00 57.85 55.83 2wdr n ARG 205 Cb 0.18 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.91 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 4.83 0.44 -2.33 0.00 8.25 -1.26 -4.95 115.22 120.20 2wdr n HIS 207 Ca -0.03 -0.23 -0.10 0.00 -0.26 0.00 0.00 57.72 57.10 2wdr n HIS 207 Cb 0.50 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.61 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 -3.44 -0.36 0.41 7.64 -1.26 -4.92 113.62 113.14 2wdr n SER 208 Ca 0.18 -0.05 0.08 0.00 1.01 0.00 0.00 58.87 60.09 2wdr n SER 208 Cb 0.60 -2.58 0.26 0.00 -1.01 0.00 0.00 64.21 61.48 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 -0.23 0.88 -0.10 0.44 2.04 -1.99 -3.47 117.51 115.09 2wdr h ILE 209 Ca -0.24 -0.33 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2wdr h ILE 209 Cb 1.17 -0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 2wdr h ILE 209 CO 0.27 0.17 -0.04 0.23 0.00 0.00 0.00 178.15 178.79 2wdr n MET 210 N -4.65 -0.46 -0.37 2.37 2.81 -1.26 -4.89 117.12 110.67 2wdr n MET 210 Ca 0.20 0.34 0.02 0.00 -1.81 0.00 0.00 57.70 56.45 2wdr n MET 210 Cb 0.40 -3.85 0.16 0.00 -0.71 0.00 0.00 33.22 29.22 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 1.04 -0.39 7.83 4.21 -1.90 -3.02 115.58 123.35 2wdr h ASN 211 Ca -0.04 0.01 0.08 0.00 1.21 0.00 0.00 56.30 57.55 2wdr h ASN 211 Cb 0.29 -0.22 -0.08 0.00 -1.12 0.00 0.00 38.32 37.20 2wdr h ASN 211 CO 0.06 0.68 -0.13 0.00 -1.29 0.00 0.00 177.43 176.75 2wdr h VAL 213 N -0.05 0.71 0.00 0.00 2.07 -1.81 -3.07 116.25 114.11 2wdr h VAL 213 Ca 0.19 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.70 2wdr h VAL 213 Cb 0.33 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.82 2wdr h VAL 213 CO -0.42 0.00 0.00 -1.54 0.02 0.00 0.00 177.57 175.63 2wdr n SER 214 N -5.26 0.00 -0.03 0.57 3.41 -1.05 -2.93 113.62 108.33 2wdr n SER 214 Ca -0.10 0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 58.88 2wdr n SER 214 Cb 0.18 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.64 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 -1.42 0.37 -1.52 -3.33 0.24 -1.17 -5.00 118.33 106.50 2wdr n VAL 215 Ca 0.02 -0.30 -0.51 0.00 -2.04 0.00 0.00 64.34 61.51 2wdr n VAL 215 Cb 0.06 -0.39 -0.07 0.00 -1.47 0.00 0.00 33.84 31.97 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 7.58 0.10 -0.40 0.00 -0.04 -1.26 -1.02 135.00 139.96 2wdr n PRO 217 Ca 0.36 0.44 0.10 0.00 -0.04 0.00 0.00 63.50 64.36 2wdr n PRO 217 Cb 0.23 -1.73 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 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 -1.93 3.05 -1.52 0.54 4.76 -1.26 -4.95 118.16 116.85 2wdr n LYS 218 Ca 0.01 -2.59 -0.15 0.00 -2.87 0.00 0.00 58.31 52.71 2wdr n LYS 218 Cb 0.13 -1.60 -0.06 0.00 -1.84 0.00 0.00 35.03 31.66 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 1.14 1.34 3.89 0.72 0.00 -0.19 -4.98 105.19 107.11 2wdr n GLY 219 Ca 0.22 -0.32 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 -3.46 2.78 -0.50 0.99 1.43 -1.26 -5.05 118.68 113.60 2wdr s LEU 220 Ca 0.00 0.95 0.03 0.00 -1.03 0.00 0.00 54.13 54.08 2wdr s LEU 220 Cb 0.00 -3.63 0.15 0.00 0.03 0.00 0.00 46.19 42.74 2wdr s LEU 220 CO 0.00 -1.53 0.33 0.21 0.23 0.00 0.00 176.35 175.59 2wdr s ASN 221 N -4.44 3.35 0.56 2.29 3.84 -1.26 -4.69 114.94 114.58 2wdr s ASN 221 Ca 0.59 -3.07 0.24 0.00 0.21 0.00 0.00 52.86 50.83 2wdr s ASN 221 Cb -0.11 -1.02 1.58 0.00 -0.55 0.00 0.00 41.25 41.15 2wdr s ASN 221 CO 0.50 -0.19 2.21 -0.65 -2.79 0.00 0.00 177.10 176.18 2wdr h PRO 222 N 6.08 0.00 -0.07 0.43 0.11 -1.90 -2.79 132.00 133.86 2wdr h PRO 222 Ca 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 2wdr h PRO 222 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.98 2wdr h PRO 222 CO 0.51 0.00 0.04 1.15 -0.21 0.00 0.00 178.00 179.49 2wdr h THR 223 N 0.00 1.09 -0.47 -1.15 2.02 -1.95 -1.13 112.91 111.32 2wdr h THR 223 Ca 0.00 -0.26 -0.06 0.00 0.77 0.00 0.00 66.41 66.87 2wdr h THR 223 Cb 0.01 1.14 -0.02 0.00 -1.74 0.00 0.00 68.15 67.54 2wdr h THR 223 CO -0.00 0.08 0.05 -0.09 0.37 0.00 0.00 175.52 175.93 2wdr h ARG 224 N 0.01 0.75 0.44 6.66 2.43 -1.93 -0.91 114.38 121.82 2wdr h ARG 224 Ca 0.02 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.00 2wdr h ARG 224 Cb 0.09 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.54 2wdr h ARG 224 CO -0.00 0.72 -0.21 0.00 -1.51 0.00 0.00 179.97 178.97 2wdr h ALA 225 N 1.35 -0.59 -0.76 2.80 0.00 -1.30 -1.04 119.26 119.72 2wdr h ALA 225 Ca 0.15 -0.16 0.15 0.00 0.00 0.00 0.00 54.91 55.05 2wdr h ALA 225 Cb 0.36 0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 2wdr h ALA 225 CO 0.01 -0.77 0.51 0.82 0.00 0.00 0.00 179.25 179.82 2wdr h ILE 226 N -0.71 0.79 0.05 0.00 2.04 -1.10 0.03 117.51 118.60 2wdr h ILE 226 Ca -0.06 -0.14 0.02 0.00 1.00 0.00 0.00 64.86 65.68 2wdr h ILE 226 Cb 0.51 0.34 -0.03 0.00 -0.74 0.00 0.00 36.82 36.90 2wdr h ILE 226 CO 0.10 0.08 -0.20 1.23 0.00 0.00 0.00 178.15 179.36 2wdr h GLY 227 N 0.41 -0.31 1.36 5.37 0.00 -0.27 -1.58 103.07 108.05 2wdr h GLY 227 Ca 0.37 0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.93 2wdr h GLY 227 CO -0.12 -0.18 0.41 0.45 0.00 0.00 0.00 176.54 177.10 2wdr h HIS 228 N -0.34 0.83 -0.54 5.60 3.86 0.22 -2.35 115.15 122.42 2wdr h HIS 228 Ca 0.04 0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 2wdr h HIS 228 Cb 0.39 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 2wdr h HIS 228 CO -0.22 0.54 0.15 0.82 0.86 0.00 0.00 177.93 180.08 2wdr h ILE 229 N 0.88 1.24 -0.67 2.45 2.04 -0.85 -1.81 117.51 120.78 2wdr h ILE 229 Ca 0.24 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.24 2wdr h ILE 229 Cb -0.07 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.72 2wdr h ILE 229 CO -0.05 0.31 0.35 0.11 0.00 0.00 0.00 178.15 178.87 2wdr h LYS 230 N 0.76 0.95 0.15 2.37 1.57 -0.80 0.70 116.57 122.27 2wdr h LYS 230 Ca 0.17 -0.12 0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2wdr h LYS 230 Cb 0.31 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.40 2wdr h LYS 230 CO -0.00 0.73 -0.33 0.77 -0.57 0.00 0.00 179.45 180.05 2wdr h SER 231 N 0.93 -0.93 -0.92 0.86 0.02 -1.21 0.35 113.55 112.64 2wdr h SER 231 Ca 0.23 0.10 0.10 0.00 -0.84 0.00 0.00 61.79 61.39 2wdr h SER 231 Cb 0.07 0.35 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 2wdr h SER 231 CO -0.03 -0.42 0.59 0.24 -1.14 0.00 0.00 176.83 176.07 2wdr h MET 232 N -0.57 0.89 -0.45 3.45 2.86 -1.01 0.44 114.93 120.55 2wdr h MET 232 Ca 0.02 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.53 2wdr h MET 232 Cb 0.59 -0.20 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2wdr h MET 232 CO -0.18 0.59 -0.04 -0.07 1.06 0.00 0.00 176.91 178.27 2wdr h LEU 233 N 0.91 0.82 -0.15 1.22 3.38 -0.20 -1.36 115.31 119.93 2wdr h LEU 233 Ca 0.44 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2wdr h LEU 233 Cb 0.43 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2wdr h LEU 233 CO -0.20 0.95 -0.06 -0.07 0.09 0.00 0.00 178.44 179.15 2wdr h LEU 234 N 0.66 0.31 -1.20 1.67 3.38 0.10 0.89 115.31 121.12 2wdr h LEU 234 Ca 0.12 -0.41 0.29 0.00 0.09 0.00 0.00 57.88 57.98 2wdr h LEU 234 Cb 0.56 -0.09 -0.12 0.00 0.09 0.00 0.00 40.66 41.11 2wdr h LEU 234 CO 0.03 0.65 0.65 -0.61 0.09 0.00 0.00 178.44 179.25 2wdr h GLN 235 N -0.03 0.38 0.11 1.13 5.75 -0.03 -1.18 115.11 121.24 2wdr h GLN 235 Ca 0.03 -0.02 -0.34 0.00 -0.15 0.00 0.00 58.65 58.17 2wdr h GLN 235 Cb 0.53 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.97 2wdr h GLN 235 CO 0.02 0.25 -1.86 -0.09 -2.65 0.00 0.00 178.83 174.50 2wdr h ARG 236 N 0.40 0.23 -0.23 1.69 2.43 -0.92 -3.41 114.38 114.57 2wdr h ARG 236 Ca 0.66 -0.39 -0.07 0.00 -0.81 0.00 0.00 59.98 59.37 2wdr h ARG 236 Cb 1.59 0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 31.25 2wdr h ARG 236 CO -0.42 1.19 -0.08 0.09 -1.51 0.00 0.00 179.97 179.24 2wdr n ASN 237 N -3.65 2.84 0.00 -3.80 3.02 0.28 -5.10 115.26 108.86 2wdr n ASN 237 Ca -0.32 -3.42 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 2wdr n ASN 237 Cb 0.99 -0.56 0.00 0.00 -0.61 0.00 0.00 39.78 39.60 2wdr n ASN 237 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64