#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wni s TRP 14 N 0.00 1.87 -0.10 -0.67 0.52 -1.26 -0.32 118.94 118.97 2wni s TRP 14 Ca 0.00 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.73 2wni s TRP 14 Cb 0.00 -1.05 0.02 0.00 -1.15 0.00 0.00 33.47 31.28 2wni s TRP 14 CO 0.00 0.18 -0.13 -0.65 0.02 0.00 0.00 176.95 176.37 2wni s GLN 15 N -1.66 1.97 -0.11 4.98 -0.21 0.31 -4.91 119.66 120.04 2wni s GLN 15 Ca 0.08 -0.46 -0.30 0.00 0.02 0.00 0.00 55.36 54.70 2wni s GLN 15 Cb -0.10 -1.75 -0.01 0.00 1.00 0.00 0.00 33.01 32.15 2wni s GLN 15 CO 0.04 -0.11 1.01 -1.17 -2.12 0.00 0.00 175.29 172.94 2wni s LEU 16 N 1.13 4.24 -0.16 2.90 2.96 -1.26 -0.32 118.68 128.16 2wni s LEU 16 Ca -0.05 1.53 0.08 0.00 -0.22 0.00 0.00 54.13 55.47 2wni s LEU 16 Cb -0.14 -3.56 -0.23 0.00 0.50 0.00 0.00 46.19 42.76 2wni s LEU 16 CO -0.03 -0.46 0.19 -0.62 -1.32 0.00 0.00 176.35 174.11 2wni n GLU 17 N 5.07 0.68 -3.64 1.98 1.02 -0.12 -4.55 120.64 121.08 2wni n GLU 17 Ca 0.09 0.16 -0.09 0.00 -0.02 0.00 0.00 57.16 57.30 2wni n GLU 17 Cb 0.49 -1.62 -0.07 0.00 -0.02 0.00 0.00 31.44 30.21 2wni n GLU 17 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 2wni s LYS 18 N -2.54 0.66 -0.10 3.49 2.47 -1.17 -4.79 119.74 117.76 2wni s LYS 18 Ca -0.18 0.95 0.03 0.00 -1.56 0.00 0.00 55.97 55.21 2wni s LYS 18 Cb 0.07 0.24 0.01 0.00 -1.46 0.00 0.00 37.83 36.68 2wni s LYS 18 CO 0.76 -0.11 -0.21 0.08 0.16 0.00 0.00 175.35 176.04 2wni s VAL 19 N 0.93 1.83 -0.09 4.02 1.01 0.14 -0.17 120.40 128.07 2wni s VAL 19 Ca -0.04 -0.87 0.04 0.00 0.00 0.00 0.00 61.98 61.11 2wni s VAL 19 Cb -0.05 -1.60 -0.01 0.00 0.00 0.00 0.00 36.38 34.72 2wni s VAL 19 CO -0.10 0.51 -0.23 -0.69 0.00 0.00 0.00 175.10 174.58 2wni s VAL 20 N 0.53 2.16 -0.01 2.92 1.01 -0.19 0.91 120.40 127.73 2wni s VAL 20 Ca -0.15 -1.00 -0.02 0.00 0.00 0.00 0.00 61.98 60.80 2wni s VAL 20 Cb -0.17 -1.81 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2wni s VAL 20 CO 0.05 0.56 0.05 -0.70 0.00 0.00 0.00 175.10 175.07 2wni s GLU 21 N 0.14 0.13 -0.20 2.72 2.12 0.05 0.21 118.70 123.87 2wni s GLU 21 Ca -0.12 -0.05 -0.00 0.00 0.36 0.00 0.00 54.97 55.16 2wni s GLU 21 Cb -0.16 0.06 0.05 0.00 0.26 0.00 0.00 34.13 34.34 2wni s GLU 21 CO 0.07 -0.02 -0.04 -1.17 -0.54 0.00 0.00 175.26 173.56 2wni s LEU 22 N -0.27 1.97 0.02 2.70 2.96 0.13 0.37 118.68 126.56 2wni s LEU 22 Ca -0.03 -0.92 0.02 0.00 -0.22 0.00 0.00 54.13 52.98 2wni s LEU 22 Cb -0.02 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.65 2wni s LEU 22 CO 0.00 -0.23 -0.00 -0.55 -1.32 0.00 0.00 176.35 174.25 2wni s SER 23 N 1.56 5.07 0.46 3.68 0.15 0.14 -0.30 113.70 124.46 2wni s SER 23 Ca -0.02 -0.05 -0.20 0.00 0.70 0.00 0.00 55.95 56.37 2wni s SER 23 Cb -0.17 -1.29 -0.09 0.00 -1.71 0.00 0.00 66.02 62.75 2wni s SER 23 CO -0.07 0.26 1.00 -0.60 1.20 0.00 0.00 173.24 175.02 2wni s ARG 24 N -1.71 3.99 0.68 5.44 3.52 0.02 -0.59 118.95 130.30 2wni s ARG 24 Ca 0.21 1.23 -0.17 0.00 -0.13 0.00 0.00 55.73 56.87 2wni s ARG 24 Cb -0.12 -2.13 -0.11 0.00 -1.56 0.00 0.00 34.95 31.03 2wni s ARG 24 CO 0.12 -0.26 -0.00 0.00 -0.81 0.00 0.00 175.30 174.35 2wni n ALA 25 N -0.87 -2.93 -1.28 6.12 0.00 -0.29 -3.26 120.51 118.00 2wni n ALA 25 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2wni n ALA 25 Cb 0.53 -1.53 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2wni n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wni n GLY 26 N 2.37 -0.46 3.73 0.00 0.00 -1.26 -0.36 105.19 109.21 2wni n GLY 26 Ca 0.07 -1.73 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2wni n GLY 26 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wni s ILE 27 N -0.24 2.10 0.15 -0.61 1.01 -1.26 -4.66 121.20 117.69 2wni s ILE 27 Ca 0.00 0.08 0.05 0.00 0.00 0.00 0.00 60.65 60.78 2wni s ILE 27 Cb 0.00 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.38 2wni s ILE 27 CO 0.00 0.01 -0.11 0.00 0.00 0.00 0.00 174.94 174.83 2wni s ARG 28 N 0.66 1.10 0.98 2.79 1.70 -1.26 -1.64 118.95 123.28 2wni s ARG 28 Ca 0.71 -1.44 -0.16 0.00 -0.47 0.00 0.00 55.73 54.36 2wni s ARG 28 Cb -0.48 -0.75 0.24 0.00 -0.57 0.00 0.00 34.95 33.39 2wni s ARG 28 CO 0.37 0.11 0.96 -2.30 -1.08 0.00 0.00 175.30 173.35 2wni n PRO 29 N -0.12 -2.40 -1.29 3.89 -0.02 -1.25 -4.83 135.00 128.99 2wni n PRO 29 Ca -0.11 -1.52 -0.35 0.00 -2.02 0.00 0.00 63.50 59.50 2wni n PRO 29 Cb 0.60 -1.31 0.09 0.00 -0.02 0.00 0.00 33.50 32.86 2wni n PRO 29 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2wni n PRO 30 N -4.07 0.40 -1.36 0.52 -0.04 -1.26 -3.65 135.00 125.53 2wni n PRO 30 Ca 0.13 0.19 -0.29 0.00 -0.04 0.00 0.00 63.50 63.49 2wni n PRO 30 Cb 0.49 -2.16 0.13 0.00 -0.04 0.00 0.00 33.50 31.92 2wni n PRO 30 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2wni s THR 31 N -1.89 2.52 0.22 0.52 -4.23 -1.26 -1.93 115.64 109.59 2wni s THR 31 Ca 0.71 0.17 -0.08 0.00 -1.18 0.00 0.00 61.69 61.31 2wni s THR 31 Cb -0.33 -2.78 0.16 0.00 1.34 0.00 0.00 72.50 70.88 2wni s THR 31 CO 0.52 -0.22 1.79 0.00 -0.54 0.00 0.00 174.62 176.18 2wni h ALA 32 N -1.48 0.93 -0.49 3.99 0.00 -1.94 -1.17 119.26 119.10 2wni h ALA 32 Ca -0.50 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2wni h ALA 32 Cb 1.30 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2wni h ALA 32 CO 0.58 0.00 0.19 0.78 0.00 0.00 0.00 179.25 180.80 2wni h GLY 33 N 0.64 0.80 0.38 0.00 0.00 -1.99 -1.59 103.07 101.31 2wni h GLY 33 Ca 0.32 -0.44 0.08 0.00 0.00 0.00 0.00 47.33 47.30 2wni h GLY 33 CO -0.22 0.41 0.13 3.43 0.00 0.00 0.00 176.54 180.29 2wni h ASN 34 N 0.66 0.06 -0.33 0.19 -0.26 -1.82 -1.44 115.58 112.65 2wni h ASN 34 Ca 0.16 0.08 -0.03 0.00 -0.56 0.00 0.00 56.30 55.95 2wni h ASN 34 Cb 0.21 0.10 -0.01 0.00 -1.06 0.00 0.00 38.32 37.55 2wni h ASN 34 CO -0.01 0.06 0.07 -0.09 -1.06 0.00 0.00 177.43 176.39 2wni h ARG 35 N 0.28 0.53 -0.19 0.81 2.43 -0.57 0.40 114.38 118.08 2wni h ARG 35 Ca 0.26 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.33 2wni h ARG 35 Cb 0.33 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.78 2wni h ARG 35 CO -0.31 0.60 -0.05 1.49 -1.51 0.00 0.00 179.97 180.20 2wni h GLU 36 N 0.37 0.00 -0.29 0.20 4.57 -1.14 -0.20 114.58 118.09 2wni h GLU 36 Ca 0.10 -0.00 -0.04 0.00 -1.18 0.00 0.00 59.36 58.24 2wni h GLU 36 Cb 0.32 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 2wni h GLU 36 CO 0.00 0.00 0.03 0.00 -1.18 0.00 0.00 179.01 177.86 2wni h ALA 37 N 1.19 0.39 -0.36 2.92 0.00 -0.43 -1.55 119.26 121.42 2wni h ALA 37 Ca 0.09 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 2wni h ALA 37 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wni h ALA 37 CO -0.20 0.10 -0.22 -0.84 0.00 0.00 0.00 179.25 178.09 2wni h ILE 38 N 0.30 1.29 -0.59 0.00 3.07 0.12 -1.34 117.51 120.35 2wni h ILE 38 Ca 0.09 -1.36 -0.04 0.00 1.55 0.00 0.00 64.86 65.09 2wni h ILE 38 Cb 0.37 1.38 -0.03 0.00 -0.27 0.00 0.00 36.82 38.28 2wni h ILE 38 CO 0.01 0.45 0.20 -0.33 -1.05 0.00 0.00 178.15 177.42 2wni h GLU 39 N 0.57 0.88 0.66 0.16 5.08 -1.02 -1.82 114.58 119.09 2wni h GLU 39 Ca 0.07 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.24 2wni h GLU 39 Cb 0.78 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.89 2wni h GLU 39 CO 0.06 0.75 -0.32 0.00 -1.00 0.00 0.00 179.01 178.51 2wni h ALA 40 N 1.36 -0.89 -0.54 3.43 0.00 -1.23 0.92 119.26 122.31 2wni h ALA 40 Ca 0.20 -0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.05 2wni h ALA 40 Cb 0.23 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2wni h ALA 40 CO -0.01 -0.92 0.59 0.00 0.00 0.00 0.00 179.25 178.90 2wni h ALA 41 N -0.80 2.29 -0.00 0.00 0.00 -1.04 -2.35 119.26 117.36 2wni h ALA 41 Ca -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2wni h ALA 41 Cb 0.72 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wni h ALA 41 CO 0.15 -0.87 -0.00 0.25 0.00 0.00 0.00 179.25 178.78 2wni n THR 42 N -3.65 0.00 -3.42 0.00 -2.24 -0.70 -3.92 114.28 100.35 2wni n THR 42 Ca 0.11 -0.50 -0.25 0.00 -2.27 0.00 0.00 64.05 61.14 2wni n THR 42 Cb 0.79 1.00 0.02 0.00 -2.10 0.00 0.00 70.33 70.05 2wni n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wni n GLY 43 N 0.34 -0.50 3.33 3.38 0.00 0.29 -4.74 105.19 107.29 2wni n GLY 43 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 46.02 46.02 2wni n GLY 43 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wni s ARG 44 N -6.10 0.70 0.65 1.61 1.70 -1.03 -5.05 118.95 111.44 2wni s ARG 44 Ca 0.45 0.15 -0.17 0.00 -0.47 0.00 0.00 55.73 55.69 2wni s ARG 44 Cb -0.22 0.33 -0.01 0.00 -0.57 0.00 0.00 34.95 34.48 2wni s ARG 44 CO 0.56 -0.18 1.23 -1.25 -1.08 0.00 0.00 175.30 174.58 2wni s PRO 45 N -0.82 2.62 0.28 3.89 0.04 -1.26 -4.42 135.00 135.33 2wni s PRO 45 Ca -0.09 1.86 0.08 0.00 0.04 0.00 0.00 61.00 62.89 2wni s PRO 45 Cb -0.04 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 2wni s PRO 45 CO 0.04 -1.49 0.15 -1.58 0.04 0.00 0.00 177.00 174.16 2wni s TRP 46 N -1.67 2.91 0.16 0.56 0.52 -1.26 -5.04 118.94 115.12 2wni s TRP 46 Ca 0.78 -0.21 -0.33 0.00 0.02 0.00 0.00 56.10 56.35 2wni s TRP 46 Cb -0.32 -1.45 -0.16 0.00 -1.15 0.00 0.00 33.47 30.40 2wni s TRP 46 CO 0.39 0.47 1.24 2.41 0.02 0.00 0.00 176.95 181.47 2wni n THR 47 N -1.13 0.69 -3.00 2.01 -1.04 -1.26 -4.96 114.28 105.59 2wni n THR 47 Ca -0.06 -0.17 -0.41 0.00 -2.04 0.00 0.00 64.05 61.37 2wni n THR 47 Cb 0.59 -0.93 -0.05 0.00 -1.82 0.00 0.00 70.33 68.12 2wni n THR 47 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2wni s GLU 48 N -0.16 4.22 0.99 -2.82 0.41 -1.26 -5.00 118.70 115.08 2wni s GLU 48 Ca 0.75 0.80 -0.17 0.00 -0.41 0.00 0.00 54.97 55.95 2wni s GLU 48 Cb -0.84 -3.60 0.22 0.00 -1.78 0.00 0.00 34.13 28.12 2wni s GLU 48 CO 0.50 -0.35 1.32 -1.58 -0.49 0.00 0.00 175.26 174.67 2wni s TRP 49 N 2.26 1.37 -0.16 1.61 0.52 -1.26 -4.93 118.94 118.36 2wni s TRP 49 Ca 0.33 0.28 0.23 0.00 0.02 0.00 0.00 56.10 56.95 2wni s TRP 49 Cb -0.16 -4.15 0.54 0.00 -1.15 0.00 0.00 33.47 28.56 2wni s TRP 49 CO 0.10 -2.83 1.67 0.00 0.02 0.00 0.00 176.95 175.91 2wni h THR 50 N -1.77 0.36 -2.82 2.01 1.03 -2.04 -3.43 112.91 106.25 2wni h THR 50 Ca -0.44 -1.29 -0.66 0.00 -0.01 0.00 0.00 66.41 64.02 2wni h THR 50 Cb 1.23 1.99 -0.07 0.00 -1.07 0.00 0.00 68.15 70.23 2wni h THR 50 CO 0.35 0.18 -0.51 -0.89 -0.01 0.00 0.00 175.52 174.64 2wni s THR 51 N -3.31 5.28 0.36 0.00 2.01 -1.26 -5.08 115.64 113.64 2wni s THR 51 Ca 0.04 -0.05 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 2wni s THR 51 Cb 0.07 -3.37 -0.11 0.00 0.01 0.00 0.00 72.50 69.10 2wni s THR 51 CO 0.66 0.47 1.46 -1.00 -0.69 0.00 0.00 174.62 175.53 2wni s HIS 52 N -1.15 2.70 0.01 4.92 0.09 -1.26 -4.81 115.29 115.79 2wni s HIS 52 Ca 0.20 1.18 -0.39 0.00 -0.00 0.00 0.00 55.06 56.06 2wni s HIS 52 Cb -0.12 -3.96 -0.20 0.00 -0.00 0.00 0.00 32.58 28.30 2wni s HIS 52 CO 0.11 -2.81 1.03 -0.25 -0.00 0.00 0.00 174.74 172.81 2wni n ASP 53 N 0.70 -0.10 0.00 1.40 8.00 -1.26 -0.69 116.55 124.60 2wni n ASP 53 Ca 0.01 1.16 0.00 0.00 0.71 0.00 0.00 54.79 56.67 2wni n ASP 53 Cb 0.40 -0.92 0.00 0.00 -0.02 0.00 0.00 41.12 40.58 2wni n ASP 53 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2wni n GLY 54 N 1.53 1.91 3.99 0.44 0.00 -0.81 -4.61 105.19 107.64 2wni n GLY 54 Ca 0.20 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.04 2wni n GLY 54 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wni s GLU 55 N -0.09 2.93 -0.04 1.61 2.02 0.14 -4.33 118.70 120.94 2wni s GLU 55 Ca 0.00 -1.16 -0.30 0.00 0.02 0.00 0.00 54.97 53.53 2wni s GLU 55 Cb 0.00 -2.75 -0.03 0.00 0.10 0.00 0.00 34.13 31.45 2wni s GLU 55 CO 0.00 -0.11 1.08 -1.17 0.02 0.00 0.00 175.26 175.08 2wni s LEU 56 N -4.24 4.31 0.73 1.80 2.96 -1.26 -3.74 118.68 119.23 2wni s LEU 56 Ca 0.50 1.72 -0.11 0.00 -0.22 0.00 0.00 54.13 56.02 2wni s LEU 56 Cb -0.09 -3.56 0.03 0.00 0.50 0.00 0.00 46.19 43.06 2wni s LEU 56 CO 0.32 -0.43 1.08 0.42 -1.32 0.00 0.00 176.35 176.41 2wni s THR 57 N 1.62 3.68 0.25 3.68 -4.23 -0.65 -4.84 115.64 115.15 2wni s THR 57 Ca 0.53 0.56 -0.03 0.00 -1.18 0.00 0.00 61.69 61.56 2wni s THR 57 Cb -0.22 -3.17 0.23 0.00 1.34 0.00 0.00 72.50 70.68 2wni s THR 57 CO 0.24 -0.70 1.82 1.23 -0.54 0.00 0.00 174.62 176.66 2wni h GLY 58 N -0.87 1.35 1.02 3.99 0.00 -1.95 0.32 103.07 106.93 2wni h GLY 58 Ca -0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 46.53 2wni h GLY 58 CO 0.54 0.14 0.36 0.84 0.00 0.00 0.00 176.54 178.42 2wni h HIS 59 N 0.83 1.07 -0.24 5.60 -0.00 -1.91 -0.81 115.15 119.70 2wni h HIS 59 Ca 0.42 -0.05 0.04 0.00 -0.00 0.00 0.00 60.37 60.78 2wni h HIS 59 Cb 0.38 -0.33 -0.04 0.00 -0.00 0.00 0.00 27.41 27.42 2wni h HIS 59 CO -0.05 0.79 -0.00 0.78 -0.00 0.00 0.00 177.93 179.44 2wni h GLY 60 N 1.05 0.22 0.99 5.26 0.00 -1.42 0.16 103.07 109.33 2wni h GLY 60 Ca 0.26 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.62 2wni h GLY 60 CO -0.03 -0.05 0.27 -1.82 0.00 0.00 0.00 176.54 174.91 2wni h TYR 61 N 0.07 0.58 -0.31 5.60 5.03 -0.75 -0.40 116.97 126.79 2wni h TYR 61 Ca 0.11 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.36 2wni h TYR 61 Cb 0.15 -0.19 -0.02 0.00 1.55 0.00 0.00 36.73 38.22 2wni h TYR 61 CO -0.20 0.40 -0.09 0.00 -1.32 0.00 0.00 178.16 176.95 2wni h ALA 62 N 1.13 1.28 -0.27 1.82 0.00 -0.10 0.31 119.26 123.43 2wni h ALA 62 Ca 0.16 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.66 2wni h ALA 62 Cb -0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2wni h ALA 62 CO -0.03 0.48 -0.48 0.00 0.00 0.00 0.00 179.25 179.22 2wni h ALA 63 N 1.44 0.64 -0.43 0.00 0.00 0.04 -1.05 119.26 119.89 2wni h ALA 63 Ca 0.09 -0.49 -0.07 0.00 0.00 0.00 0.00 54.91 54.45 2wni h ALA 63 Cb 0.45 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2wni h ALA 63 CO 0.02 0.68 -0.02 0.28 0.00 0.00 0.00 179.25 180.21 2wni h VAL 64 N 0.58 1.24 -0.30 0.00 2.07 -0.33 -2.27 116.25 117.24 2wni h VAL 64 Ca 0.03 -0.98 -0.01 0.00 0.82 0.00 0.00 66.70 66.56 2wni h VAL 64 Cb 1.05 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 31.73 2wni h VAL 64 CO 0.10 0.34 0.16 0.58 0.02 0.00 0.00 177.57 178.77 2wni h VAL 65 N 0.67 1.14 -0.62 2.57 2.07 0.20 0.20 116.25 122.48 2wni h VAL 65 Ca 0.13 -0.38 0.13 0.00 0.82 0.00 0.00 66.70 67.40 2wni h VAL 65 Cb 0.44 0.83 -0.11 0.00 -1.52 0.00 0.00 31.29 30.94 2wni h VAL 65 CO 0.02 0.14 -0.01 0.78 0.02 0.00 0.00 177.57 178.52 2wni h ASN 66 N 0.37 -0.30 -0.12 0.57 2.35 -0.90 0.15 115.58 117.69 2wni h ASN 66 Ca 0.11 0.16 -0.21 0.00 -0.55 0.00 0.00 56.30 55.80 2wni h ASN 66 Cb 0.08 0.28 0.01 0.00 0.05 0.00 0.00 38.32 38.74 2wni h ASN 66 CO -0.02 -0.12 -0.72 0.50 -1.65 0.00 0.00 177.43 175.42 2wni h LYS 67 N 0.11 0.76 -0.79 0.81 3.64 -0.63 -2.83 116.57 117.64 2wni h LYS 67 Ca 0.32 -0.58 -0.04 0.00 -1.27 0.00 0.00 60.65 59.08 2wni h LYS 67 Cb 0.52 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.42 2wni h LYS 67 CO -0.54 1.20 0.35 0.78 -2.27 0.00 0.00 179.45 178.97 2wni h GLY 68 N 0.70 1.24 0.49 5.01 0.00 0.28 -1.59 103.07 109.20 2wni h GLY 68 Ca -0.03 -0.63 0.06 0.00 0.00 0.00 0.00 47.33 46.72 2wni h GLY 68 CO 0.15 0.60 0.01 -0.09 0.00 0.00 0.00 176.54 177.20 2wni h ARG 69 N 1.14 0.10 -0.19 4.80 2.43 -0.59 0.24 114.38 122.31 2wni h ARG 69 Ca 0.27 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.31 2wni h ARG 69 Cb 0.15 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.67 2wni h ARG 69 CO -0.03 0.07 -0.41 1.49 -1.51 0.00 0.00 179.97 179.58 2wni h GLU 70 N 0.11 0.45 -0.30 0.20 4.57 -1.22 -2.24 114.58 116.14 2wni h GLU 70 Ca 0.16 -0.22 -0.09 0.00 -1.18 0.00 0.00 59.36 58.03 2wni h GLU 70 Cb 0.21 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2wni h GLU 70 CO -0.26 0.78 -0.16 1.49 -1.18 0.00 0.00 179.01 179.68 2wni h GLU 71 N 0.37 0.64 -0.53 1.92 4.81 -0.87 0.38 114.58 121.30 2wni h GLU 71 Ca 0.03 -0.29 0.07 0.00 -0.13 0.00 0.00 59.36 59.04 2wni h GLU 71 Cb 0.88 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.19 2wni h GLU 71 CO 0.07 0.87 0.21 0.78 -0.73 0.00 0.00 179.01 180.22 2wni h GLY 72 N 0.39 0.72 1.51 1.92 0.00 -0.94 0.22 103.07 106.89 2wni h GLY 72 Ca 0.07 -0.13 -0.12 0.00 0.00 0.00 0.00 47.33 47.15 2wni h GLY 72 CO 0.05 0.03 -0.35 1.46 0.00 0.00 0.00 176.54 177.73 2wni h GLN 73 N 0.41 0.55 -0.18 4.80 4.20 -0.80 -1.96 115.11 122.13 2wni h GLN 73 Ca 0.25 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 2wni h GLN 73 Cb 0.25 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 2wni h GLN 73 CO -0.23 0.82 0.10 1.25 -0.67 0.00 0.00 178.83 180.10 2wni h HIS 74 N 0.46 0.25 0.00 2.96 2.76 0.17 -0.32 115.15 121.44 2wni h HIS 74 Ca 0.05 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.21 2wni h HIS 74 Cb 0.83 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2wni h HIS 74 CO 0.03 0.24 0.00 1.88 -1.30 0.00 0.00 177.93 178.78 2wni h TYR 75 N 0.19 0.00 0.19 5.26 0.05 -0.47 -1.35 116.97 120.84 2wni h TYR 75 Ca 0.06 0.00 -0.31 0.00 0.05 0.00 0.00 58.73 58.53 2wni h TYR 75 Cb 0.07 0.00 0.02 0.00 1.01 0.00 0.00 36.73 37.83 2wni h TYR 75 CO -0.04 0.00 -1.41 0.00 -1.05 0.00 0.00 178.16 175.66 2wni h ARG 76 N 0.00 0.41 -0.17 4.88 3.08 -1.18 -1.53 114.38 119.86 2wni h ARG 76 Ca 0.00 -0.69 -0.08 0.00 0.07 0.00 0.00 59.98 59.27 2wni h ARG 76 Cb 0.79 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2wni h ARG 76 CO 0.00 1.32 -0.26 0.37 -1.07 0.00 0.00 179.97 180.33 2wni h GLN 77 N 0.11 0.32 -0.00 0.04 -0.00 -0.73 -1.50 115.11 113.35 2wni h GLN 77 Ca -0.21 -0.11 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2wni h GLN 77 Cb 2.08 -0.02 0.00 0.00 0.00 0.00 0.00 27.48 29.54 2wni h GLN 77 CO 0.23 0.57 -0.01 1.28 0.00 0.00 0.00 178.83 180.90 2wni n LEU 78 N -4.14 0.30 0.00 -2.39 4.77 -0.54 -4.89 117.00 110.11 2wni n LEU 78 Ca -0.01 -0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2wni n LEU 78 Cb 0.38 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.44 2wni n LEU 78 CO 0.41 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 2wni n GLY 79 N 1.07 0.89 0.22 -0.72 0.00 -0.57 -4.55 105.19 101.53 2wni n GLY 79 Ca 0.22 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.07 2wni n GLY 79 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wni h LEU 80 N 0.00 0.91 -9.31 0.99 5.85 -1.54 -3.44 115.31 108.77 2wni h LEU 80 Ca 0.00 -0.59 -0.66 0.00 0.84 0.00 0.00 57.88 57.47 2wni h LEU 80 Cb 0.00 -0.27 -0.15 0.00 0.37 0.00 0.00 40.66 40.61 2wni h LEU 80 CO 0.00 1.39 -0.72 -0.76 -0.34 0.00 0.00 178.44 178.01 2wni s LEU 81 N -8.39 3.14 0.55 2.25 1.43 -0.80 -4.90 118.68 111.97 2wni s LEU 81 Ca -0.10 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 2wni s LEU 81 Cb 0.09 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.41 2wni s LEU 81 CO 0.90 0.18 0.81 -1.10 0.23 0.00 0.00 176.35 177.36 2wni s GLN 82 N -2.23 2.75 0.79 1.70 -1.52 -1.26 -4.40 119.66 115.48 2wni s GLN 82 Ca 0.22 -0.43 -0.14 0.00 -1.95 0.00 0.00 55.36 53.07 2wni s GLN 82 Cb -0.11 -2.41 0.07 0.00 -0.22 0.00 0.00 33.01 30.33 2wni s GLN 82 CO 0.15 -0.65 1.15 0.00 -0.25 0.00 0.00 175.29 175.69 2wni n ALA 83 N -2.40 -0.10 0.00 6.09 0.00 -1.26 -4.79 120.51 118.05 2wni n ALA 83 Ca 0.05 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.18 2wni n ALA 83 Cb 0.59 -2.22 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2wni n ALA 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wni n GLY 84 N 0.68 -0.09 3.78 0.00 0.00 -1.26 -4.85 105.19 103.44 2wni n GLY 84 Ca 0.13 -1.19 -0.39 0.00 0.00 0.00 0.00 46.02 44.57 2wni n GLY 84 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni s PRO 86 N -1.48 2.98 0.17 0.00 0.04 -1.26 -5.00 135.00 130.45 2wni s PRO 86 Ca 0.41 1.62 0.02 0.00 0.04 0.00 0.00 61.00 63.09 2wni s PRO 86 Cb -0.22 -1.95 0.02 0.00 0.04 0.00 0.00 34.50 32.39 2wni s PRO 86 CO 0.27 -1.15 0.19 0.25 0.04 0.00 0.00 177.00 176.59 2wni n THR 87 N -1.83 0.00 0.24 1.26 -2.24 -1.26 -4.95 114.28 105.50 2wni n THR 87 Ca 0.12 -0.61 0.12 0.00 -2.27 0.00 0.00 64.05 61.41 2wni n THR 87 Cb 0.51 -0.64 0.55 0.00 -2.10 0.00 0.00 70.33 68.66 2wni n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2wni h ALA 88 N 0.54 1.07 -0.43 6.98 0.00 -1.97 -1.14 119.26 124.30 2wni h ALA 88 Ca -0.09 -0.16 0.07 0.00 0.00 0.00 0.00 54.91 54.73 2wni h ALA 88 Cb 0.37 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2wni h ALA 88 CO 0.14 0.22 0.29 0.93 0.00 0.00 0.00 179.25 180.83 2wni h GLU 89 N 0.00 0.30 0.00 0.00 4.39 -1.96 -3.36 114.58 113.96 2wni h GLU 89 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2wni h GLU 89 Cb 0.62 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2wni h GLU 89 CO 0.02 0.20 -0.14 0.77 -1.16 0.00 0.00 179.01 178.70 2wni h SER 90 N 0.31 0.01 -4.85 1.42 0.02 -1.50 -2.21 113.55 106.74 2wni h SER 90 Ca 0.19 -0.95 -0.12 0.00 -0.84 0.00 0.00 61.79 60.07 2wni h SER 90 Cb 0.37 -0.00 -0.21 0.00 0.14 0.00 0.00 62.40 62.70 2wni h SER 90 CO -0.04 1.06 -0.27 -0.51 -1.14 0.00 0.00 176.83 175.92 2wni s ILE 91 N -2.24 0.05 -0.03 3.27 2.07 -1.23 -1.37 121.20 121.72 2wni s ILE 91 Ca -0.20 -0.41 -0.00 0.00 -1.41 0.00 0.00 60.65 58.63 2wni s ILE 91 Cb -0.02 -0.60 0.03 0.00 0.13 0.00 0.00 42.46 41.99 2wni s ILE 91 CO 0.68 -0.23 0.01 -0.47 -1.91 0.00 0.00 174.94 173.03 2wni s TYR 92 N -1.14 0.28 -0.14 3.50 5.04 -0.67 -4.78 117.35 119.44 2wni s TYR 92 Ca -0.12 0.04 0.02 0.00 -2.44 0.00 0.00 57.07 54.57 2wni s TYR 92 Cb -0.05 -0.43 0.00 0.00 0.35 0.00 0.00 41.96 41.83 2wni s TYR 92 CO 0.04 -0.15 -0.20 0.08 -1.34 0.00 0.00 175.55 173.98 2wni s VAL 93 N 1.26 2.29 -0.14 3.14 1.01 -1.26 -0.89 120.40 125.82 2wni s VAL 93 Ca -0.06 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 2wni s VAL 93 Cb -0.13 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.35 2wni s VAL 93 CO -0.02 0.54 -0.08 -0.60 0.00 0.00 0.00 175.10 174.93 2wni s ARG 94 N 0.69 1.66 0.03 2.72 3.52 0.56 -1.32 118.95 126.81 2wni s ARG 94 Ca -0.09 -0.40 0.05 0.00 -0.13 0.00 0.00 55.73 55.16 2wni s ARG 94 Cb -0.16 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.37 2wni s ARG 94 CO 0.01 -0.31 -0.13 0.00 -0.81 0.00 0.00 175.30 174.07 2wni s ALA 95 N 1.64 2.80 0.20 6.12 0.00 0.29 -2.20 121.76 130.61 2wni s ALA 95 Ca 0.04 -1.11 -0.29 0.00 0.00 0.00 0.00 51.96 50.59 2wni s ALA 95 Cb -0.13 -0.92 -0.17 0.00 0.00 0.00 0.00 23.12 21.90 2wni s ALA 95 CO -0.09 0.59 0.64 0.45 0.00 0.00 0.00 175.76 177.36 2wni n SER 96 N 1.52 -0.71 0.00 0.00 2.88 -0.40 -4.29 113.62 112.62 2wni n SER 96 Ca -0.16 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 58.61 2wni n SER 96 Cb 0.52 -1.01 0.54 0.00 -0.75 0.00 0.00 64.21 63.51 2wni n SER 96 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2wni n PRO 97 N 1.00 0.63 -1.26 -1.46 -0.04 -1.26 -3.76 135.00 128.85 2wni n PRO 97 Ca 0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.29 2wni n PRO 97 Cb 0.25 -1.45 0.11 0.00 -0.04 0.00 0.00 33.50 32.37 2wni n PRO 97 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wni s LEU 98 N -1.90 3.23 0.25 1.53 1.02 -1.26 -4.78 118.68 116.77 2wni s LEU 98 Ca 0.27 2.38 -0.06 0.00 0.02 0.00 0.00 54.13 56.74 2wni s LEU 98 Cb 0.12 -4.59 0.28 0.00 0.02 0.00 0.00 46.19 42.03 2wni s LEU 98 CO 0.21 -2.48 1.91 -0.61 0.02 0.00 0.00 176.35 175.40 2wni h GLN 99 N -0.61 1.25 0.00 1.70 -0.00 -1.88 -1.98 115.11 113.60 2wni h GLN 99 Ca -0.47 -0.08 -0.11 0.00 -0.00 0.00 0.00 58.65 58.00 2wni h GLN 99 Cb 1.30 -0.28 -0.02 0.00 0.00 0.00 0.00 27.48 28.48 2wni h GLN 99 CO 0.48 0.83 -0.51 0.07 0.00 0.00 0.00 178.83 179.69 2wni h ARG 100 N 1.29 0.00 0.16 1.69 0.11 -1.90 -1.02 114.38 114.72 2wni h ARG 100 Ca 0.38 0.00 -0.30 0.00 0.10 0.00 0.00 59.98 60.16 2wni h ARG 100 Cb -0.08 0.00 0.02 0.00 1.11 0.00 0.00 29.97 31.03 2wni h ARG 100 CO -0.10 0.51 -1.31 1.79 0.10 0.00 0.00 179.97 180.96 2wni h THR 101 N 0.00 1.36 -0.15 0.08 1.35 -1.75 0.41 112.91 114.21 2wni h THR 101 Ca -0.01 -2.73 0.00 0.00 -0.55 0.00 0.00 66.41 63.12 2wni h THR 101 Cb 0.96 2.88 -0.01 0.00 -1.73 0.00 0.00 68.15 70.25 2wni h THR 101 CO 0.07 0.81 0.09 0.03 -0.25 0.00 0.00 175.52 176.27 2wni h ARG 102 N 0.16 0.20 -0.48 4.72 3.08 -1.23 0.45 114.38 121.28 2wni h ARG 102 Ca -0.19 -0.02 -0.04 0.00 0.07 0.00 0.00 59.98 59.80 2wni h ARG 102 Cb 2.00 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.99 2wni h ARG 102 CO 0.24 0.16 0.13 0.00 -1.07 0.00 0.00 179.97 179.42 2wni h ALA 103 N 1.03 1.32 0.00 0.04 0.00 -1.16 0.85 119.26 121.35 2wni h ALA 103 Ca 0.05 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wni h ALA 103 Cb 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2wni h ALA 103 CO -0.01 0.48 -0.00 1.15 0.00 0.00 0.00 179.25 180.87 2wni h THR 104 N 0.70 1.29 -0.73 0.00 2.02 -0.70 0.27 112.91 115.77 2wni h THR 104 Ca 0.16 -0.87 0.14 0.00 0.77 0.00 0.00 66.41 66.62 2wni h THR 104 Cb 0.24 1.88 -0.14 0.00 -1.74 0.00 0.00 68.15 68.39 2wni h THR 104 CO -0.00 0.22 -0.20 0.00 0.37 0.00 0.00 175.52 175.91 2wni h ALA 105 N 0.62 0.44 -0.52 6.16 0.00 -0.45 0.15 119.26 125.66 2wni h ALA 105 Ca -0.00 0.28 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2wni h ALA 105 Cb 0.37 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2wni h ALA 105 CO 0.00 -0.44 0.11 1.96 0.00 0.00 0.00 179.25 180.89 2wni h GLN 106 N -0.01 0.80 -0.73 0.00 4.20 -0.50 -2.31 115.11 116.55 2wni h GLN 106 Ca 0.34 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.83 2wni h GLN 106 Cb 0.54 -0.12 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 2wni h GLN 106 CO -0.75 0.73 0.23 0.00 -0.67 0.00 0.00 178.83 178.36 2wni h ALA 107 N 1.35 1.01 -0.30 3.87 0.00 0.21 0.37 119.26 125.78 2wni h ALA 107 Ca 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2wni h ALA 107 Cb 0.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2wni h ALA 107 CO 0.00 0.66 0.11 -0.07 0.00 0.00 0.00 179.25 179.95 2wni h LEU 108 N 1.09 0.42 -0.48 0.00 3.38 -0.39 -1.12 115.31 118.22 2wni h LEU 108 Ca 0.24 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2wni h LEU 108 Cb 0.31 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2wni h LEU 108 CO -0.01 0.48 -0.15 -0.37 0.09 0.00 0.00 178.44 178.48 2wni h VAL 109 N 0.33 0.29 -0.07 1.22 -1.51 -1.44 0.19 116.25 115.25 2wni h VAL 109 Ca 0.10 -1.19 0.02 0.00 -1.23 0.00 0.00 66.70 64.39 2wni h VAL 109 Cb 0.20 1.96 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2wni h VAL 109 CO -0.01 0.15 -0.02 -0.78 -1.23 0.00 0.00 177.57 175.68 2wni h ASP 110 N 0.00 -0.08 -0.30 4.19 1.82 -0.55 -1.38 116.42 120.12 2wni h ASP 110 Ca -0.00 0.02 -0.08 0.00 -0.39 0.00 0.00 57.03 56.58 2wni h ASP 110 Cb 0.95 0.05 -0.01 0.00 0.68 0.00 0.00 39.33 41.00 2wni h ASP 110 CO 0.02 -0.03 -0.13 1.23 -1.61 0.00 0.00 179.24 178.73 2wni h GLY 111 N -0.00 0.67 2.00 -0.78 0.00 -0.92 -3.24 103.07 100.80 2wni h GLY 111 Ca 0.04 -0.59 -0.10 0.00 0.00 0.00 0.00 47.33 46.68 2wni h GLY 111 CO -0.08 0.54 -0.47 0.00 0.00 0.00 0.00 176.54 176.53 2wni h ALA 112 N 0.77 0.83 -2.01 3.60 0.00 -0.54 -3.24 119.26 118.67 2wni h ALA 112 Ca 0.07 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 54.02 2wni h ALA 112 Cb 0.64 -0.07 -0.39 0.00 0.00 0.00 0.00 17.79 17.96 2wni h ALA 112 CO 0.04 0.59 -1.13 1.19 0.00 0.00 0.00 179.25 179.94 2wni n PHE 113 N -3.41 -0.01 -1.66 0.00 3.72 -0.53 -4.60 117.46 110.97 2wni n PHE 113 Ca 0.01 -3.68 -0.48 0.00 -0.05 0.00 0.00 57.45 53.25 2wni n PHE 113 Cb 0.62 -0.38 -0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2wni n PHE 113 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2wni n PRO 114 N 0.95 1.96 -1.00 -1.08 -0.04 -1.22 -1.04 135.00 133.52 2wni n PRO 114 Ca 0.23 0.71 0.00 0.00 -0.04 0.00 0.00 63.50 64.40 2wni n PRO 114 Cb 0.57 -2.47 0.00 0.00 -0.04 0.00 0.00 33.50 31.56 2wni n PRO 114 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wni n GLY 115 N 3.54 0.70 0.85 0.55 0.00 -1.26 -4.91 105.19 104.65 2wni n GLY 115 Ca 0.19 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.30 2wni n GLY 115 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni n GLY 117 N 1.28 -0.51 3.74 0.00 0.00 -1.26 -4.85 105.19 103.58 2wni n GLY 117 Ca 0.17 0.16 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2wni n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wni s VAL 118 N -3.18 3.61 0.30 1.61 1.01 -1.26 -4.99 120.40 117.50 2wni s VAL 118 Ca 0.48 1.37 -0.04 0.00 0.00 0.00 0.00 61.98 63.79 2wni s VAL 118 Cb -0.23 -3.87 -0.05 0.00 0.00 0.00 0.00 36.38 32.23 2wni s VAL 118 CO 0.59 0.22 0.55 0.00 0.00 0.00 0.00 175.10 176.47 2wni s ALA 119 N -0.11 3.64 0.32 5.51 0.00 -1.26 -4.94 121.76 124.92 2wni s ALA 119 Ca 0.52 -0.63 0.10 0.00 0.00 0.00 0.00 51.96 51.95 2wni s ALA 119 Cb -0.32 -2.26 -0.06 0.00 0.00 0.00 0.00 23.12 20.48 2wni s ALA 119 CO 0.37 0.19 -0.09 0.96 0.00 0.00 0.00 175.76 177.18 2wni s ILE 120 N -2.13 2.47 0.17 0.00 -5.25 -1.26 -4.78 121.20 110.42 2wni s ILE 120 Ca 0.43 -2.19 0.09 0.00 -0.99 0.00 0.00 60.65 57.99 2wni s ILE 120 Cb -0.11 -2.60 -0.04 0.00 2.95 0.00 0.00 42.46 42.66 2wni s ILE 120 CO 0.31 -0.26 -0.20 -1.00 -1.79 0.00 0.00 174.94 172.00 2wni s HIS 121 N -2.54 1.92 0.11 1.37 3.76 -0.44 -5.01 115.29 114.46 2wni s HIS 121 Ca 0.32 -0.44 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 2wni s HIS 121 Cb -0.01 -0.96 0.08 0.00 1.11 0.00 0.00 32.58 32.80 2wni s HIS 121 CO 0.17 0.37 0.71 1.52 -0.85 0.00 0.00 174.74 176.66 2wni s TYR 122 N -1.95 -0.45 0.42 1.40 1.13 -1.26 -0.54 117.35 116.09 2wni s TYR 122 Ca 0.17 0.25 -0.25 0.00 -1.41 0.00 0.00 57.07 55.83 2wni s TYR 122 Cb -0.06 0.56 -0.08 0.00 -1.10 0.00 0.00 41.96 41.28 2wni s TYR 122 CO 0.07 -0.76 1.19 0.00 -2.51 0.00 0.00 175.55 173.55 2wni s ALA 123 N -3.53 3.11 -0.39 9.51 0.00 -1.26 -4.91 121.76 124.29 2wni s ALA 123 Ca 0.03 1.01 0.26 0.00 0.00 0.00 0.00 51.96 53.26 2wni s ALA 123 Cb -0.01 -3.40 0.98 0.00 0.00 0.00 0.00 23.12 20.68 2wni s ALA 123 CO -0.10 -0.63 1.78 -0.91 0.00 0.00 0.00 175.76 175.90 2wni h ASN 124 N 2.45 0.00 -0.42 0.00 2.35 -1.91 -3.44 115.58 114.61 2wni h ASN 124 Ca -0.49 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.26 2wni h ASN 124 Cb 1.24 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.61 2wni h ASN 124 CO 0.62 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.01 2wni n GLY 125 N 0.39 1.20 0.96 2.83 0.00 -1.26 -4.99 105.19 104.33 2wni n GLY 125 Ca 0.03 -1.77 0.11 0.00 0.00 0.00 0.00 46.02 44.39 2wni n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2wni n ASP 126 N 0.00 3.03 -3.74 1.61 8.00 -1.26 -4.92 116.55 119.26 2wni n ASP 126 Ca 0.00 -1.95 -0.23 0.00 0.71 0.00 0.00 54.79 53.32 2wni n ASP 126 Cb 0.00 -0.07 -0.18 0.00 -0.02 0.00 0.00 41.12 40.86 2wni n ASP 126 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wni s ALA 127 N -1.75 0.61 -0.16 2.24 0.00 -1.26 -4.84 121.76 116.60 2wni s ALA 127 Ca 0.29 -0.10 -0.04 0.00 0.00 0.00 0.00 51.96 52.11 2wni s ALA 127 Cb 0.20 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.53 2wni s ALA 127 CO 0.29 -0.53 -0.02 0.34 0.00 0.00 0.00 175.76 175.83 2wni s ASP 128 N 2.01 4.91 0.27 0.00 -1.08 -1.26 -4.88 116.67 116.63 2wni s ASP 128 Ca 0.05 -0.10 0.20 0.00 -0.52 0.00 0.00 52.55 52.17 2wni s ASP 128 Cb -0.13 -1.81 1.00 0.00 -1.46 0.00 0.00 42.92 40.53 2wni s ASP 128 CO -0.05 0.17 1.60 -0.81 0.52 0.00 0.00 175.17 176.59 2wni n PRO 129 N 3.56 0.13 0.16 4.34 -0.04 -1.26 -0.85 135.00 141.04 2wni n PRO 129 Ca -0.17 0.57 0.08 0.00 -0.04 0.00 0.00 63.50 63.94 2wni n PRO 129 Cb 0.52 -1.88 0.07 0.00 -0.04 0.00 0.00 33.50 32.17 2wni n PRO 129 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 2wni h LEU 130 N 0.00 0.00 0.00 1.53 3.38 -1.93 -3.42 115.31 114.87 2wni h LEU 130 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wni h LEU 130 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 2wni h LEU 130 CO 0.00 0.22 -0.52 0.49 0.09 0.00 0.00 178.44 178.72 2wni n PHE 131 N -3.06 -0.13 -2.00 1.13 3.72 -0.03 -4.47 117.46 112.62 2wni n PHE 131 Ca 0.02 0.02 -0.41 0.00 -0.05 0.00 0.00 57.45 57.03 2wni n PHE 131 Cb 0.63 0.06 -0.00 0.00 -0.94 0.00 0.00 39.48 39.23 2wni n PHE 131 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 2wni n GLN 132 N -3.17 3.84 0.22 -1.08 3.00 -0.31 -4.75 117.38 115.13 2wni n GLN 132 Ca 0.00 -3.19 0.10 0.00 -0.01 0.00 0.00 57.00 53.89 2wni n GLN 132 Cb 0.26 -2.86 0.43 0.00 0.00 0.00 0.00 30.24 28.07 2wni n GLN 132 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.06 178.85 2wni h THR 133 N 3.31 0.57 0.00 5.09 1.35 -1.81 -1.62 112.91 119.80 2wni h THR 133 Ca 0.58 -1.17 0.00 0.00 -0.55 0.00 0.00 66.41 65.27 2wni h THR 133 Cb 0.48 1.80 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2wni h THR 133 CO 1.64 0.23 0.00 -0.90 -0.25 0.00 0.00 175.52 176.24 2wni n ASP 134 N -3.38 0.00 -0.82 5.36 5.75 -1.26 -2.60 116.55 119.59 2wni n ASP 134 Ca 0.00 -0.18 0.07 0.00 -0.01 0.00 0.00 54.79 54.66 2wni n ASP 134 Cb 0.45 -0.20 0.19 0.00 -1.03 0.00 0.00 41.12 40.53 2wni n ASP 134 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2wni n LYS 135 N -1.20 2.07 -4.22 0.11 4.76 -0.61 -4.85 118.16 114.22 2wni n LYS 135 Ca 0.11 -1.56 -0.18 0.00 -2.87 0.00 0.00 58.31 53.81 2wni n LYS 135 Cb 0.13 -1.37 -0.15 0.00 -1.84 0.00 0.00 35.03 31.80 2wni n LYS 135 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2wni s PHE 136 N -1.46 0.64 0.21 2.13 0.40 -1.07 -5.07 117.98 113.76 2wni s PHE 136 Ca 0.29 -0.14 -0.10 0.00 -0.60 0.00 0.00 56.93 56.38 2wni s PHE 136 Cb 0.16 -0.47 0.15 0.00 0.51 0.00 0.00 43.02 43.37 2wni s PHE 136 CO 0.19 -0.06 1.87 0.00 0.70 0.00 0.00 175.22 177.92 2wni h ALA 137 N 6.32 0.96 0.00 5.36 0.00 -1.91 -1.32 119.26 128.67 2wni h ALA 137 Ca -0.32 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2wni h ALA 137 Cb 1.18 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2wni h ALA 137 CO 0.49 0.40 0.00 0.00 0.00 0.00 0.00 179.25 180.14 2wni h ALA 138 N 1.26 1.00 0.00 0.00 0.00 -1.91 -3.15 119.26 116.46 2wni h ALA 138 Ca 0.27 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 2wni h ALA 138 Cb -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.70 2wni h ALA 138 CO -0.06 0.00 -0.15 0.25 0.00 0.00 0.00 179.25 179.29 2wni n THR 139 N -2.87 1.97 -3.85 0.00 -2.24 -0.52 -4.33 114.28 102.43 2wni n THR 139 Ca 0.01 -2.54 -0.34 0.00 -2.27 0.00 0.00 64.05 58.91 2wni n THR 139 Cb 0.27 -0.23 -0.05 0.00 -2.10 0.00 0.00 70.33 68.22 2wni n THR 139 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2wni s GLN 140 N -2.96 3.49 0.50 -0.78 -0.21 -1.04 -4.13 119.66 114.54 2wni s GLN 140 Ca 0.34 -0.23 -0.18 0.00 0.02 0.00 0.00 55.36 55.31 2wni s GLN 140 Cb 0.31 -3.08 -0.08 0.00 1.00 0.00 0.00 33.01 31.16 2wni s GLN 140 CO -0.00 0.66 0.99 0.95 -2.12 0.00 0.00 175.29 175.77 2wni s THR 141 N -1.33 4.31 -0.25 -0.19 -4.23 -1.26 -4.93 115.64 107.75 2wni s THR 141 Ca 0.28 1.21 -0.28 0.00 -1.18 0.00 0.00 61.69 61.72 2wni s THR 141 Cb -0.13 -3.61 0.01 0.00 1.34 0.00 0.00 72.50 70.11 2wni s THR 141 CO 0.18 -0.53 1.02 -0.62 -0.54 0.00 0.00 174.62 174.13 2wni s ASP 142 N -2.71 7.03 0.25 3.99 2.15 -1.26 -4.97 116.67 121.14 2wni s ASP 142 Ca 0.61 1.26 -0.10 0.00 0.43 0.00 0.00 52.55 54.75 2wni s ASP 142 Cb -0.11 -2.53 0.38 0.00 -0.30 0.00 0.00 42.92 40.36 2wni s ASP 142 CO 0.27 -0.69 1.59 -0.65 -0.17 0.00 0.00 175.17 175.52 2wni h PRO 143 N 7.62 0.01 -0.44 4.34 0.11 -1.94 0.24 132.00 141.94 2wni h PRO 143 Ca -0.20 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.86 2wni h PRO 143 Cb 1.06 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.15 2wni h PRO 143 CO 0.98 0.01 0.09 0.00 -0.21 0.00 0.00 178.00 178.86 2wni h ALA 144 N 1.82 0.59 -0.73 -0.75 0.00 -1.95 -1.74 119.26 116.50 2wni h ALA 144 Ca 0.41 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2wni h ALA 144 Cb 0.64 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2wni h ALA 144 CO -0.84 0.29 0.22 0.00 0.00 0.00 0.00 179.25 178.92 2wni h ARG 145 N 0.59 1.13 -0.01 0.00 2.47 -1.69 -1.18 114.38 115.69 2wni h ARG 145 Ca 0.14 -0.24 -0.00 0.00 -1.26 0.00 0.00 59.98 58.61 2wni h ARG 145 Cb 0.35 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 2wni h ARG 145 CO 0.01 0.96 -0.00 0.37 0.56 0.00 0.00 179.97 181.87 2wni h GLN 146 N 1.08 0.01 -0.96 0.04 5.75 -0.44 -0.98 115.11 119.61 2wni h GLN 146 Ca 0.23 -0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.89 2wni h GLN 146 Cb 0.31 -0.00 -0.10 0.00 1.07 0.00 0.00 27.48 28.76 2wni h GLN 146 CO -0.01 0.36 0.57 1.25 -2.65 0.00 0.00 178.83 178.36 2wni h LEU 147 N -0.34 0.76 -0.16 -2.39 5.85 -1.20 -0.93 115.31 116.90 2wni h LEU 147 Ca 0.00 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.62 2wni h LEU 147 Cb 0.36 -0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.34 2wni h LEU 147 CO 0.00 0.32 -0.61 0.00 -0.34 0.00 0.00 178.44 177.82 2wni h ALA 148 N 1.59 0.29 -0.47 1.25 0.00 -0.79 -0.55 119.26 120.59 2wni h ALA 148 Ca 0.52 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wni h ALA 148 Cb 0.71 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2wni h ALA 148 CO -0.34 0.55 0.23 0.00 0.00 0.00 0.00 179.25 179.68 2wni h ALA 149 N 0.55 0.60 0.30 0.00 0.00 -0.93 0.21 119.26 120.00 2wni h ALA 149 Ca -0.03 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2wni h ALA 149 Cb 1.24 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2wni h ALA 149 CO 0.13 0.16 -0.15 0.28 0.00 0.00 0.00 179.25 179.67 2wni h VAL 150 N 0.61 0.72 -0.84 0.00 2.07 -1.16 -1.40 116.25 116.26 2wni h VAL 150 Ca 0.16 -0.19 0.13 0.00 0.82 0.00 0.00 66.70 67.62 2wni h VAL 150 Cb 0.12 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 30.62 2wni h VAL 150 CO -0.02 0.04 0.44 0.11 0.02 0.00 0.00 177.57 178.16 2wni h LYS 151 N -0.51 0.65 -0.04 1.57 1.57 -0.66 0.67 116.57 119.83 2wni h LYS 151 Ca -0.04 -0.04 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2wni h LYS 151 Cb 0.38 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 2wni h LYS 151 CO 0.07 0.43 -0.82 1.49 -0.57 0.00 0.00 179.45 180.05 2wni h GLU 152 N 0.67 0.41 -0.14 3.15 4.81 -0.51 -1.37 114.58 121.60 2wni h GLU 152 Ca 0.44 -0.38 -0.17 0.00 -0.13 0.00 0.00 59.36 59.11 2wni h GLU 152 Cb 0.55 0.09 -0.00 0.00 0.63 0.00 0.00 28.75 30.02 2wni h GLU 152 CO -0.32 1.03 -0.64 -0.22 -0.73 0.00 0.00 179.01 178.13 2wni h LYS 153 N 0.26 0.53 -0.46 1.92 3.64 -0.55 -3.21 116.57 118.69 2wni h LYS 153 Ca -0.05 -0.37 0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2wni h LYS 153 Cb 1.43 0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 33.26 2wni h LYS 153 CO 0.14 0.99 0.21 0.00 -2.27 0.00 0.00 179.45 178.52 2wni h ALA 154 N 0.92 0.57 -0.68 5.00 0.00 0.70 -3.47 119.26 122.29 2wni h ALA 154 Ca -0.01 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wni h ALA 154 Cb 1.20 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.96 2wni h ALA 154 CO 0.12 -0.16 0.00 0.41 0.00 0.00 0.00 179.25 179.61 2wni n GLY 155 N -1.24 2.32 3.56 0.00 0.00 -0.55 -4.43 105.19 104.85 2wni n GLY 155 Ca 0.04 -0.45 -0.43 0.00 0.00 0.00 0.00 46.02 45.18 2wni n GLY 155 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wni s ASP 156 N -4.00 6.45 0.13 1.61 2.15 -1.26 -4.92 116.67 116.83 2wni s ASP 156 Ca 0.00 0.01 -0.04 0.00 0.43 0.00 0.00 52.55 52.94 2wni s ASP 156 Cb 0.00 -2.49 -0.09 0.00 -0.30 0.00 0.00 42.92 40.04 2wni s ASP 156 CO 0.00 -1.27 1.31 -0.07 -0.17 0.00 0.00 175.17 174.97 2wni h LEU 157 N 11.21 0.53 -0.81 -1.34 3.38 -1.86 -2.57 115.31 123.85 2wni h LEU 157 Ca -0.25 -0.42 0.19 0.00 0.09 0.00 0.00 57.88 57.49 2wni h LEU 157 Cb 1.07 -0.16 -0.12 0.00 0.09 0.00 0.00 40.66 41.53 2wni h LEU 157 CO 1.11 1.22 0.21 0.00 0.09 0.00 0.00 178.44 181.07 2wni h ALA 158 N 0.75 1.11 0.00 1.53 0.00 -1.91 0.24 119.26 120.98 2wni h ALA 158 Ca -0.08 0.19 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2wni h ALA 158 Cb 1.56 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 19.59 2wni h ALA 158 CO 0.16 -0.39 -0.84 0.37 0.00 0.00 0.00 179.25 178.55 2wni h GLN 159 N 0.25 0.00 0.04 0.00 4.15 -1.92 -0.88 115.11 116.75 2wni h GLN 159 Ca 0.48 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.90 2wni h GLN 159 Cb 0.89 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.59 2wni h GLN 159 CO -0.58 0.84 -0.02 0.00 -1.93 0.00 0.00 178.83 177.14 2wni h ARG 160 N 0.00 -0.05 -0.96 1.69 3.08 -1.15 -2.34 114.38 114.65 2wni h ARG 160 Ca -0.01 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.08 2wni h ARG 160 Cb 1.57 0.01 -0.05 0.00 0.08 0.00 0.00 29.97 31.58 2wni h ARG 160 CO 0.11 -0.01 0.63 -0.09 -1.07 0.00 0.00 179.97 179.54 2wni h ARG 161 N -0.08 1.19 -0.35 0.04 2.43 -0.82 -2.74 114.38 114.05 2wni h ARG 161 Ca -0.01 -0.07 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 2wni h ARG 161 Cb 0.07 -0.27 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 2wni h ARG 161 CO 0.01 0.79 0.00 0.37 -1.51 0.00 0.00 179.97 179.63 2wni h GLN 162 N 1.23 0.62 -0.08 0.20 5.75 -1.15 -2.28 115.11 119.41 2wni h GLN 162 Ca 0.38 -0.20 0.02 0.00 -0.15 0.00 0.00 58.65 58.70 2wni h GLN 162 Cb -0.02 -0.06 -0.00 0.00 1.07 0.00 0.00 27.48 28.47 2wni h GLN 162 CO -0.12 0.74 0.08 0.00 -2.65 0.00 0.00 178.83 176.89 2wni h ALA 163 N 0.86 1.67 -0.16 3.38 0.00 -1.19 -1.09 119.26 122.73 2wni h ALA 163 Ca 0.10 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 2wni h ALA 163 Cb 0.45 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wni h ALA 163 CO 0.02 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.42 2wni n LEU 164 N -3.87 3.03 -0.23 0.00 4.77 -0.96 -4.53 117.00 115.21 2wni n LEU 164 Ca -0.01 -1.13 0.03 0.00 -0.03 0.00 0.00 56.01 54.87 2wni n LEU 164 Cb 0.18 -0.09 0.15 0.00 -2.33 0.00 0.00 43.42 41.33 2wni n LEU 164 CO 0.28 0.57 0.95 0.00 -1.33 0.00 0.00 177.39 177.86 2wni h ALA 165 N 4.60 0.87 -0.78 -1.18 0.00 -0.64 0.16 119.26 122.29 2wni h ALA 165 Ca 0.00 0.14 0.01 0.00 0.00 0.00 0.00 54.91 55.05 2wni h ALA 165 Cb 0.95 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.86 2wni h ALA 165 CO 0.00 -0.28 0.51 -1.35 0.00 0.00 0.00 179.25 178.13 2wni h PRO 166 N 0.32 1.03 -0.12 0.00 0.11 -1.81 0.18 132.00 131.70 2wni h PRO 166 Ca 0.37 -0.06 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 2wni h PRO 166 Cb 0.57 -0.23 0.01 0.00 0.11 0.00 0.00 31.00 31.46 2wni h PRO 166 CO -0.43 0.68 -0.60 1.15 -0.21 0.00 0.00 178.00 178.60 2wni h THR 167 N 1.06 1.33 -0.93 -1.15 2.02 -1.24 -0.95 112.91 113.06 2wni h THR 167 Ca 0.28 -1.87 0.13 0.00 0.77 0.00 0.00 66.41 65.72 2wni h THR 167 Cb -0.12 2.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.33 2wni h THR 167 CO -0.06 0.57 0.59 0.40 0.37 0.00 0.00 175.52 177.39 2wni h ILE 168 N 0.27 0.88 0.19 3.11 2.04 -0.48 -0.79 117.51 122.73 2wni h ILE 168 Ca -0.04 -0.28 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 2wni h ILE 168 Cb 1.23 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 2wni h ILE 168 CO 0.12 0.15 -0.09 -0.61 0.00 0.00 0.00 178.15 177.72 2wni h GLN 169 N 0.82 -0.24 -1.00 2.37 5.75 -0.57 0.63 115.11 122.87 2wni h GLN 169 Ca 0.46 0.02 0.20 0.00 -0.15 0.00 0.00 58.65 59.17 2wni h GLN 169 Cb 0.59 0.06 -0.11 0.00 1.07 0.00 0.00 27.48 29.09 2wni h GLN 169 CO -0.22 0.09 0.60 -0.07 -2.65 0.00 0.00 178.83 176.58 2wni h LEU 170 N -0.60 0.76 -0.13 -2.39 3.38 -0.99 -0.34 115.31 114.99 2wni h LEU 170 Ca -0.03 0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 2wni h LEU 170 Cb 0.44 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2wni h LEU 170 CO 0.04 0.24 -0.38 0.25 0.09 0.00 0.00 178.44 178.68 2wni h LEU 171 N 0.72 0.57 -0.28 1.67 5.85 -0.59 -2.42 115.31 120.83 2wni h LEU 171 Ca 0.59 -0.59 0.04 0.00 0.84 0.00 0.00 57.88 58.77 2wni h LEU 171 Cb 0.96 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 2wni h LEU 171 CO -0.40 1.06 0.02 0.50 -0.34 0.00 0.00 178.44 179.27 2wni h LYS 172 N 0.10 0.10 -0.83 1.25 3.64 0.12 -0.50 116.57 120.45 2wni h LYS 172 Ca -0.01 -0.01 0.13 0.00 -1.27 0.00 0.00 60.65 59.50 2wni h LYS 172 Cb 1.00 -0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 2wni h LYS 172 CO 0.08 0.07 0.54 1.96 -2.27 0.00 0.00 179.45 179.83 2wni h GLN 173 N 0.10 0.60 -0.05 1.90 4.20 -1.08 0.15 115.11 120.93 2wni h GLN 173 Ca 0.13 -0.04 -0.20 0.00 0.06 0.00 0.00 58.65 58.61 2wni h GLN 173 Cb 0.16 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wni h GLN 173 CO -0.21 0.40 -0.80 0.00 -0.67 0.00 0.00 178.83 177.55 2wni h ALA 174 N 1.61 0.52 0.00 3.87 0.00 -0.62 -3.39 119.26 121.24 2wni h ALA 174 Ca 0.40 -0.64 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2wni h ALA 174 Cb 0.69 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wni h ALA 174 CO -0.16 0.78 -1.23 1.33 0.00 0.00 0.00 179.25 179.97 2wni n VAL 175 N -3.80 0.00 -3.18 0.00 0.24 -0.48 -4.76 118.33 106.35 2wni n VAL 175 Ca -0.05 -0.15 -0.39 0.00 -2.04 0.00 0.00 64.34 61.71 2wni n VAL 175 Cb 0.75 0.39 -0.06 0.00 -1.47 0.00 0.00 33.84 33.46 2wni n VAL 175 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wni s GLN 177 N -0.68 4.54 -0.23 0.00 -2.07 -1.26 -4.85 119.66 115.10 2wni s GLN 177 Ca 0.32 1.61 -0.39 0.00 -1.82 0.00 0.00 55.36 55.08 2wni s GLN 177 Cb -0.20 -2.98 -0.15 0.00 -1.09 0.00 0.00 33.01 28.59 2wni s GLN 177 CO 0.20 0.18 1.75 0.00 -1.32 0.00 0.00 175.29 176.10 2wni n ALA 178 N 0.83 -0.03 0.00 2.60 0.00 -1.26 -2.28 120.51 120.37 2wni n ALA 178 Ca 0.01 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.82 2wni n ALA 178 Cb 0.47 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.65 2wni n ALA 178 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wni n ASP 179 N 5.47 0.00 -4.81 0.00 9.92 -1.26 -4.97 116.55 120.89 2wni n ASP 179 Ca 0.25 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 54.18 2wni n ASP 179 Cb 0.16 -0.50 -0.04 0.00 -0.64 0.00 0.00 41.12 40.10 2wni n ASP 179 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 2wni s LYS 180 N 0.00 3.91 0.66 -1.24 2.47 -0.96 -5.03 119.74 119.55 2wni s LYS 180 Ca 0.00 1.18 -0.11 0.00 -1.56 0.00 0.00 55.97 55.48 2wni s LYS 180 Cb 0.00 -2.12 -0.01 0.00 -1.46 0.00 0.00 37.83 34.23 2wni s LYS 180 CO 0.00 -0.32 1.06 -1.25 0.16 0.00 0.00 175.35 175.00 2wni s PRO 181 N -3.49 3.22 -0.41 4.03 0.04 -1.26 -4.72 135.00 132.40 2wni s PRO 181 Ca 0.63 0.58 0.04 0.00 0.04 0.00 0.00 61.00 62.30 2wni s PRO 181 Cb -0.13 -2.06 0.17 0.00 0.04 0.00 0.00 34.50 32.52 2wni s PRO 181 CO 0.22 -0.80 0.37 0.00 0.04 0.00 0.00 177.00 176.84 2wni h PRO 183 N 5.76 1.04 -0.96 0.00 0.13 -1.92 -3.00 132.00 133.04 2wni h PRO 183 Ca 0.22 -0.09 0.26 0.00 -0.87 0.00 0.00 66.00 65.52 2wni h PRO 183 Cb 0.94 -0.22 -0.14 0.00 0.13 0.00 0.00 31.00 31.72 2wni h PRO 183 CO 0.31 0.73 0.50 0.97 -0.23 0.00 0.00 178.00 180.28 2wni h ILE 184 N 1.05 0.41 0.00 -3.56 6.09 -1.94 0.31 117.51 119.86 2wni h ILE 184 Ca 0.27 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.63 2wni h ILE 184 Cb -0.04 -0.03 0.00 0.00 0.47 0.00 0.00 36.82 37.22 2wni h ILE 184 CO -0.05 0.07 0.00 0.49 -3.07 0.00 0.00 178.15 175.59 2wni n PHE 185 N -5.02 0.00 -0.09 2.19 3.01 -1.13 -2.77 117.46 113.64 2wni n PHE 185 Ca 0.27 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.60 2wni n PHE 185 Cb 0.80 -0.24 -0.10 0.00 -0.01 0.00 0.00 39.48 39.93 2wni n PHE 185 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 2wni n ASP 186 N -1.24 2.22 -4.70 4.37 8.00 0.10 -4.99 116.55 120.31 2wni n ASP 186 Ca 0.08 -0.09 -0.41 0.00 0.71 0.00 0.00 54.79 55.09 2wni n ASP 186 Cb 0.12 -0.09 0.01 0.00 -0.02 0.00 0.00 41.12 41.14 2wni n ASP 186 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2wni n THR 187 N -2.98 2.45 -2.19 -3.53 -2.24 -0.95 -4.99 114.28 99.85 2wni n THR 187 Ca -0.33 -0.50 -0.26 0.00 -2.27 0.00 0.00 64.05 60.68 2wni n THR 187 Cb 0.90 -1.59 0.10 0.00 -2.10 0.00 0.00 70.33 67.64 2wni n THR 187 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2wni s PRO 188 N -2.16 1.77 -0.23 -0.78 0.02 -1.26 -4.86 135.00 127.51 2wni s PRO 188 Ca 0.60 -0.41 -0.15 0.00 0.02 0.00 0.00 61.00 61.06 2wni s PRO 188 Cb -0.51 -2.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.85 2wni s PRO 188 CO 0.59 -1.54 0.37 -1.58 -0.33 0.00 0.00 177.00 174.50 2wni s TRP 189 N -3.38 3.33 0.05 6.54 0.52 -1.26 -4.64 118.94 120.09 2wni s TRP 189 Ca 0.64 0.52 0.01 0.00 0.02 0.00 0.00 56.10 57.28 2wni s TRP 189 Cb -0.08 -2.52 -0.03 0.00 -1.15 0.00 0.00 33.47 29.69 2wni s TRP 189 CO 0.47 -0.07 -0.05 1.03 0.02 0.00 0.00 176.95 178.34 2wni s ARG 190 N 1.52 0.57 0.09 4.98 0.52 -1.26 -4.62 118.95 120.75 2wni s ARG 190 Ca 0.17 -0.97 -0.28 0.00 -0.52 0.00 0.00 55.73 54.13 2wni s ARG 190 Cb -0.15 -0.05 -0.06 0.00 0.52 0.00 0.00 34.95 35.21 2wni s ARG 190 CO 0.08 -0.03 0.87 0.08 0.02 0.00 0.00 175.30 176.33 2wni s VAL 191 N -2.56 4.58 0.11 3.52 1.01 -1.26 -0.40 120.40 125.40 2wni s VAL 191 Ca -0.02 1.88 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2wni s VAL 191 Cb -0.02 -4.23 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 2wni s VAL 191 CO -0.04 0.35 -0.08 -1.61 0.00 0.00 0.00 175.10 173.72 2wni s GLU 192 N -0.08 0.88 -0.09 2.72 2.02 -0.01 -4.92 118.70 119.21 2wni s GLU 192 Ca 0.43 -1.32 -0.03 0.00 0.02 0.00 0.00 54.97 54.06 2wni s GLU 192 Cb -0.22 -0.34 0.05 0.00 0.10 0.00 0.00 34.13 33.72 2wni s GLU 192 CO 0.27 0.02 0.15 -1.14 0.02 0.00 0.00 175.26 174.57 2wni s GLN 193 N -3.63 0.03 1.01 1.61 0.74 -1.26 -0.87 119.66 117.29 2wni s GLN 193 Ca 0.12 0.47 -0.14 0.00 0.05 0.00 0.00 55.36 55.86 2wni s GLN 193 Cb 0.03 -0.47 0.19 0.00 1.10 0.00 0.00 33.01 33.87 2wni s GLN 193 CO -0.03 -0.36 1.12 -1.54 -0.55 0.00 0.00 175.29 173.93 2wni s SER 194 N 2.27 2.58 0.46 6.67 1.04 0.23 -4.85 113.70 122.11 2wni s SER 194 Ca 0.04 0.97 0.22 0.00 0.48 0.00 0.00 55.95 57.65 2wni s SER 194 Cb -0.13 -1.51 1.13 0.00 0.10 0.00 0.00 66.02 65.62 2wni s SER 194 CO -0.06 -3.13 1.96 0.50 0.98 0.00 0.00 173.24 173.49 2wni h LYS 195 N -1.90 0.00 0.00 4.02 1.63 -2.01 0.50 116.57 118.81 2wni h LYS 195 Ca -0.52 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.28 2wni h LYS 195 Cb 1.32 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.95 2wni h LYS 195 CO 0.54 0.21 0.00 -1.13 -3.45 0.00 0.00 179.45 175.62 2wni n SER 196 N -3.79 0.00 0.00 4.20 3.41 -1.26 -4.91 113.62 111.27 2wni n SER 196 Ca -0.02 -0.98 0.00 0.00 -0.26 0.00 0.00 58.87 57.61 2wni n SER 196 Cb 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 2wni n SER 196 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 197 N 0.80 0.77 3.71 5.00 0.00 0.18 -4.98 105.19 110.67 2wni n GLY 197 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 2wni n GLY 197 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wni s LYS 198 N -0.53 4.21 -0.03 1.61 1.02 -1.26 -4.75 119.74 120.02 2wni s LYS 198 Ca 0.00 2.37 0.00 0.00 0.02 0.00 0.00 55.97 58.36 2wni s LYS 198 Cb 0.00 -3.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.06 2wni s LYS 198 CO 0.00 -0.63 0.00 0.95 -0.92 0.00 0.00 175.35 174.75 2wni s THR 199 N 1.36 4.21 0.17 2.17 -4.23 -1.26 -0.60 115.64 117.46 2wni s THR 199 Ca 0.71 -0.48 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2wni s THR 199 Cb -0.43 -2.84 -0.04 0.00 1.34 0.00 0.00 72.50 70.52 2wni s THR 199 CO 0.31 0.45 0.11 0.42 -0.54 0.00 0.00 174.62 175.37 2wni s THR 200 N -1.02 0.04 -0.28 3.99 -4.23 -0.05 -4.95 115.64 109.13 2wni s THR 200 Ca 0.18 -1.95 -0.07 0.00 -1.18 0.00 0.00 61.69 58.67 2wni s THR 200 Cb -0.11 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.41 2wni s THR 200 CO 0.08 -0.18 0.08 -0.63 -0.54 0.00 0.00 174.62 173.43 2wni s ILE 201 N -4.11 4.05 0.30 2.99 -1.09 -1.26 -0.83 121.20 121.24 2wni s ILE 201 Ca 0.33 -0.57 -0.28 0.00 -2.23 0.00 0.00 60.65 57.90 2wni s ILE 201 Cb 0.07 -3.04 -0.14 0.00 -1.58 0.00 0.00 42.46 37.77 2wni s ILE 201 CO 0.08 0.14 1.07 -1.54 -1.23 0.00 0.00 174.94 173.46 2wni n SER 202 N 4.88 1.61 0.00 3.58 3.41 0.46 -0.74 113.62 126.82 2wni n SER 202 Ca -0.15 1.18 0.00 0.00 -0.26 0.00 0.00 58.87 59.65 2wni n SER 202 Cb 0.49 -1.33 0.00 0.00 -0.26 0.00 0.00 64.21 63.11 2wni n SER 202 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 203 N 1.12 1.99 0.35 5.00 0.00 -1.26 -4.12 105.19 108.28 2wni n GLY 203 Ca 0.08 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.04 2wni n GLY 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wni h LEU 204 N 0.00 1.12 -0.25 0.99 5.85 -1.85 -0.61 115.31 120.56 2wni h LEU 204 Ca 0.00 -0.11 -0.01 0.00 0.84 0.00 0.00 57.88 58.60 2wni h LEU 204 Cb 0.00 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 2wni h LEU 204 CO 0.00 0.91 0.11 0.28 -0.34 0.00 0.00 178.44 179.40 2wni h SER 205 N 1.24 0.34 0.31 1.25 0.02 -1.17 0.23 113.55 115.76 2wni h SER 205 Ca 0.31 -0.15 -0.16 0.00 -0.84 0.00 0.00 61.79 60.95 2wni h SER 205 Cb 0.05 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2wni h SER 205 CO -0.05 0.39 -0.63 0.58 -1.14 0.00 0.00 176.83 175.98 2wni h VAL 206 N 0.26 1.38 -0.81 2.27 2.07 -1.78 0.15 116.25 119.79 2wni h VAL 206 Ca 0.08 -2.01 -0.04 0.00 0.82 0.00 0.00 66.70 65.55 2wni h VAL 206 Cb 0.15 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 31.90 2wni h VAL 206 CO -0.01 0.60 0.36 0.24 0.02 0.00 0.00 177.57 178.78 2wni h MET 207 N 0.22 1.19 -0.83 1.57 2.07 -0.30 0.12 114.93 118.97 2wni h MET 207 Ca -0.01 -0.19 -0.04 0.00 -2.07 0.00 0.00 59.70 57.39 2wni h MET 207 Cb 1.16 -0.21 -0.04 0.00 -1.87 0.00 0.00 31.60 30.64 2wni h MET 207 CO 0.10 0.94 0.37 0.00 1.07 0.00 0.00 176.91 179.40 2wni h ALA 208 N 1.19 1.08 -0.46 6.32 0.00 0.67 0.16 119.26 128.21 2wni h ALA 208 Ca 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 2wni h ALA 208 Cb 0.16 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2wni h ALA 208 CO -0.03 0.67 0.27 -0.91 0.00 0.00 0.00 179.25 179.25 2wni h ASN 209 N 1.20 0.55 -0.22 0.00 -0.26 0.27 0.13 115.58 117.26 2wni h ASN 209 Ca 0.28 -0.03 -0.03 0.00 -0.56 0.00 0.00 56.30 55.96 2wni h ASN 209 Cb 0.16 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.27 2wni h ASN 209 CO -0.03 0.43 0.00 0.24 -1.06 0.00 0.00 177.43 177.02 2wni h MET 210 N 0.64 0.39 -0.21 0.81 2.86 0.48 -1.83 114.93 118.07 2wni h MET 210 Ca 0.17 -0.12 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2wni h MET 210 Cb -0.01 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.60 2wni h MET 210 CO -0.03 0.57 0.14 0.28 1.06 0.00 0.00 176.91 178.93 2wni h VAL 211 N 0.16 1.06 -0.77 -2.22 2.07 -0.39 0.26 116.25 116.41 2wni h VAL 211 Ca 0.06 -0.10 0.12 0.00 0.82 0.00 0.00 66.70 67.60 2wni h VAL 211 Cb 0.39 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.83 2wni h VAL 211 CO 0.01 0.05 0.38 -0.08 0.02 0.00 0.00 177.57 177.95 2wni h GLU 212 N 0.28 0.57 -0.23 1.57 4.57 -0.68 0.16 114.58 120.83 2wni h GLU 212 Ca 0.08 -0.03 -0.17 0.00 -1.18 0.00 0.00 59.36 58.05 2wni h GLU 212 Cb -0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 28.43 2wni h GLU 212 CO -0.02 0.38 -0.52 1.15 -1.18 0.00 0.00 179.01 178.83 2wni h THR 213 N 0.59 1.30 -0.79 0.32 2.02 -0.65 -1.01 112.91 114.69 2wni h THR 213 Ca 0.40 -1.72 0.09 0.00 0.77 0.00 0.00 66.41 65.95 2wni h THR 213 Cb 0.51 1.80 -0.07 0.00 -1.74 0.00 0.00 68.15 68.65 2wni h THR 213 CO -0.33 0.55 0.43 -0.07 0.37 0.00 0.00 175.52 176.48 2wni h LEU 214 N 0.48 0.61 -0.50 2.58 3.38 -0.43 0.13 115.31 121.55 2wni h LEU 214 Ca -0.00 0.05 -0.13 0.00 0.09 0.00 0.00 57.88 57.90 2wni h LEU 214 Cb 1.13 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.80 2wni h LEU 214 CO 0.11 0.35 -0.18 -0.09 0.09 0.00 0.00 178.44 178.72 2wni h ARG 215 N 0.73 1.00 -0.53 1.13 1.12 -0.35 0.11 114.38 117.59 2wni h ARG 215 Ca 0.38 -0.41 -0.03 0.00 -1.11 0.00 0.00 59.98 58.81 2wni h ARG 215 Cb 0.36 -0.04 -0.02 0.00 -0.01 0.00 0.00 29.97 30.26 2wni h ARG 215 CO -0.25 1.09 0.23 -0.07 -3.11 0.00 0.00 179.97 177.86 2wni h LEU 216 N 0.86 0.72 -0.46 3.80 3.38 -0.99 0.88 115.31 123.50 2wni h LEU 216 Ca 0.12 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 57.98 2wni h LEU 216 Cb 0.76 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.28 2wni h LEU 216 CO 0.06 0.68 0.21 1.23 0.09 0.00 0.00 178.44 180.71 2wni h GLY 217 N 0.72 0.63 0.88 0.83 0.00 -0.33 0.58 103.07 106.38 2wni h GLY 217 Ca 0.18 -0.14 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2wni h GLY 217 CO -0.02 0.08 -0.25 -0.25 0.00 0.00 0.00 176.54 176.11 2wni h TRP 218 N 0.42 -0.64 0.00 5.60 2.91 -0.51 -2.56 115.95 121.18 2wni h TRP 218 Ca 0.20 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 60.21 2wni h TRP 218 Cb 0.14 0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.02 2wni h TRP 218 CO -0.12 -0.38 -0.04 0.77 -1.03 0.00 0.00 178.44 177.65 2wni h SER 219 N -0.61 0.00 0.85 2.65 0.02 -0.05 -0.43 113.55 115.98 2wni h SER 219 Ca -0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 2wni h SER 219 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2wni h SER 219 CO 0.04 0.04 0.00 -0.08 -1.14 0.00 0.00 176.83 175.68 2wni h GLU 220 N 0.00 0.00 -3.23 3.45 4.57 0.51 -3.01 114.58 116.87 2wni h GLU 220 Ca -0.00 0.00 -0.35 0.00 -1.18 0.00 0.00 59.36 57.83 2wni h GLU 220 Cb 0.06 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 28.68 2wni h GLU 220 CO 0.00 0.00 -0.48 -1.71 -1.18 0.00 0.00 179.01 175.64 2wni n ASN 221 N -2.57 -5.29 -4.59 1.04 5.15 -0.17 -4.90 115.26 103.92 2wni n ASN 221 Ca 0.02 -0.14 -0.41 0.00 -0.60 0.00 0.00 54.58 53.45 2wni n ASN 221 Cb 0.26 -4.24 0.02 0.00 -0.53 0.00 0.00 39.78 35.29 2wni n ASN 221 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 2wni n LEU 222 N -3.02 2.49 -4.70 1.20 4.77 -1.00 -4.94 117.00 111.80 2wni n LEU 222 Ca -0.15 0.98 -0.43 0.00 -0.03 0.00 0.00 56.01 56.38 2wni n LEU 222 Cb 0.63 -1.33 -0.02 0.00 -2.33 0.00 0.00 43.42 40.36 2wni n LEU 222 CO 0.33 -1.70 1.09 -2.65 -1.33 0.00 0.00 177.39 173.13 2wni n PRO 223 N 0.01 2.31 -0.33 3.23 -0.02 -1.26 -4.84 135.00 134.10 2wni n PRO 223 Ca 0.10 0.82 0.20 0.00 -2.02 0.00 0.00 63.50 62.61 2wni n PRO 223 Cb 0.41 -2.52 0.39 0.00 -0.02 0.00 0.00 33.50 31.76 2wni n PRO 223 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wni h LEU 224 N 4.25 -0.20 -0.91 2.45 3.38 -1.92 0.26 115.31 122.62 2wni h LEU 224 Ca -0.46 0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2wni h LEU 224 Cb 1.26 0.41 0.00 0.00 0.09 0.00 0.00 40.66 42.42 2wni h LEU 224 CO 0.76 -0.38 0.00 -1.54 0.09 0.00 0.00 178.44 177.37 2wni n SER 225 N -5.41 0.69 -0.59 -0.43 3.41 -1.26 -1.43 113.62 108.60 2wni n SER 225 Ca 0.28 0.70 0.07 0.00 -0.26 0.00 0.00 58.87 59.66 2wni n SER 225 Cb 0.94 -0.83 0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2wni n SER 225 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wni n GLN 226 N -2.29 1.09 -0.05 4.33 6.02 0.84 -3.60 117.38 123.72 2wni n GLN 226 Ca 0.01 -1.40 -0.03 0.00 -0.01 0.00 0.00 57.00 55.57 2wni n GLN 226 Cb 0.19 -1.28 -0.01 0.00 1.02 0.00 0.00 30.24 30.16 2wni n GLN 226 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 177.06 175.94 2wni n LEU 227 N 0.82 1.21 -2.92 1.08 7.94 -0.51 -4.52 117.00 120.10 2wni n LEU 227 Ca 0.09 0.47 -0.13 0.00 -1.11 0.00 0.00 56.01 55.32 2wni n LEU 227 Cb 0.37 -0.74 0.00 0.00 0.53 0.00 0.00 43.42 43.59 2wni n LEU 227 CO 0.09 -0.47 -0.16 0.00 -1.11 0.00 0.00 177.39 175.75 2wni n ALA 228 N -3.26 2.64 -3.87 1.96 0.00 -1.17 -4.92 120.51 111.88 2wni n ALA 228 Ca -0.05 -3.21 -0.30 0.00 0.00 0.00 0.00 53.44 49.88 2wni n ALA 228 Cb 0.20 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.73 2wni n ALA 228 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 2wni n TRP 229 N 0.10 -2.24 -0.03 0.00 8.01 -1.24 -0.02 117.44 122.03 2wni n TRP 229 Ca 0.16 0.86 0.00 0.00 -1.31 0.00 0.00 57.50 57.22 2wni n TRP 229 Cb 0.74 -3.87 0.00 0.00 -2.01 0.00 0.00 31.31 26.17 2wni n TRP 229 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2wni n GLY 230 N -1.64 1.68 0.22 6.99 0.00 -1.04 -4.90 105.19 106.50 2wni n GLY 230 Ca 0.04 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.17 2wni n GLY 230 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wni h LYS 231 N 2.90 0.00 -5.05 1.61 1.79 -0.69 -3.41 116.57 113.71 2wni h LYS 231 Ca 0.00 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.81 2wni h LYS 231 Cb 0.00 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.37 2wni h LYS 231 CO 0.00 0.08 -0.75 0.42 -1.08 0.00 0.00 179.45 178.12 2wni s ILE 232 N -3.26 3.17 0.00 1.86 1.01 -1.26 -4.96 121.20 117.76 2wni s ILE 232 Ca 0.05 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.13 2wni s ILE 232 Cb 0.06 -2.41 0.00 0.00 0.01 0.00 0.00 42.46 40.12 2wni s ILE 232 CO 0.66 0.45 0.23 0.00 0.00 0.00 0.00 174.94 176.28 2wni n ALA 233 N 4.57 1.63 -3.03 9.38 0.00 -1.26 -4.80 120.51 127.01 2wni n ALA 233 Ca -0.19 -0.23 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2wni n ALA 233 Cb 0.51 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.85 2wni n ALA 233 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2wni s GLN 234 N -0.24 0.37 0.37 0.00 -1.52 -1.26 -5.01 119.66 112.36 2wni s GLN 234 Ca 0.00 -0.49 0.13 0.00 -1.95 0.00 0.00 55.36 53.04 2wni s GLN 234 Cb 0.00 0.14 0.94 0.00 -0.22 0.00 0.00 33.01 33.87 2wni s GLN 234 CO 0.00 -0.07 1.81 0.00 -0.25 0.00 0.00 175.29 176.77 2wni h ALA 235 N 4.57 1.99 0.00 6.09 0.00 -1.97 0.26 119.26 130.20 2wni h ALA 235 Ca -0.31 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2wni h ALA 235 Cb 1.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wni h ALA 235 CO 0.41 -0.33 -0.06 0.66 0.00 0.00 0.00 179.25 179.93 2wni h SER 236 N 0.56 0.00 0.59 0.00 4.64 -1.96 0.42 113.55 117.80 2wni h SER 236 Ca 0.54 0.00 -0.16 0.00 -0.47 0.00 0.00 61.79 61.69 2wni h SER 236 Cb 1.12 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.19 2wni h SER 236 CO -0.28 0.06 -0.74 1.56 -0.87 0.00 0.00 176.83 176.56 2wni h GLN 237 N 0.00 0.12 0.46 4.77 4.20 -1.36 -1.88 115.11 121.42 2wni h GLN 237 Ca -0.00 -0.11 -0.02 0.00 0.06 0.00 0.00 58.65 58.58 2wni h GLN 237 Cb 0.40 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.21 2wni h GLN 237 CO 0.01 0.80 -0.22 0.82 -0.67 0.00 0.00 178.83 179.57 2wni h ILE 238 N 0.08 0.51 -0.92 2.54 1.08 -0.31 -3.05 117.51 117.43 2wni h ILE 238 Ca -0.02 -0.33 0.26 0.00 -0.39 0.00 0.00 64.86 64.38 2wni h ILE 238 Cb 1.31 0.65 -0.16 0.00 -3.07 0.00 0.00 36.82 35.55 2wni h ILE 238 CO 0.11 0.06 0.16 0.74 -0.69 0.00 0.00 178.15 178.52 2wni h THR 239 N -0.82 0.18 0.00 -0.27 2.02 -0.80 0.17 112.91 113.39 2wni h THR 239 Ca -0.06 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2wni h THR 239 Cb 0.56 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.03 2wni h THR 239 CO 0.10 0.02 0.00 0.00 0.37 0.00 0.00 175.52 176.01 2wni n ALA 240 N -2.85 1.98 0.64 6.16 0.00 -0.72 -1.84 120.51 123.89 2wni n ALA 240 Ca 0.23 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.81 2wni n ALA 240 Cb 0.75 -1.42 0.26 0.00 0.00 0.00 0.00 19.45 19.03 2wni n ALA 240 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wni n LEU 241 N -2.19 0.68 0.22 0.00 4.77 0.58 -4.45 117.00 116.61 2wni n LEU 241 Ca 0.04 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.41 2wni n LEU 241 Cb 0.33 -0.24 0.49 0.00 -2.33 0.00 0.00 43.42 41.67 2wni n LEU 241 CO 0.25 -0.07 0.81 -0.07 -1.33 0.00 0.00 177.39 176.98 2wni h LEU 242 N 0.00 0.00 -1.99 2.23 3.38 -1.15 -2.73 115.31 115.06 2wni h LEU 242 Ca 0.00 0.00 0.20 0.00 0.09 0.00 0.00 57.88 58.17 2wni h LEU 242 Cb 0.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2wni h LEU 242 CO 0.00 0.27 0.52 -0.65 0.09 0.00 0.00 178.44 178.67 2wni h PRO 243 N 0.00 0.00 -0.07 1.13 0.11 -1.78 0.61 132.00 132.01 2wni h PRO 243 Ca -0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.03 2wni h PRO 243 Cb 0.59 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.69 2wni h PRO 243 CO 0.04 0.00 -0.30 -0.07 -0.21 0.00 0.00 178.00 177.45 2wni h LEU 244 N 0.00 0.12 -0.08 2.35 3.38 -1.82 0.25 115.31 119.52 2wni h LEU 244 Ca 0.32 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2wni h LEU 244 Cb 1.36 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 42.09 2wni h LEU 244 CO -0.00 0.43 -0.42 0.25 0.09 0.00 0.00 178.44 178.78 2wni h LEU 245 N 0.11 0.51 -0.93 1.67 5.85 0.04 -2.22 115.31 120.33 2wni h LEU 245 Ca 0.02 -0.66 0.02 0.00 0.84 0.00 0.00 57.88 58.10 2wni h LEU 245 Cb 0.60 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.43 2wni h LEU 245 CO 0.04 1.08 0.61 0.74 -0.34 0.00 0.00 178.44 180.58 2wni h THR 246 N -0.04 1.21 -0.47 1.05 2.02 -1.17 -1.72 112.91 113.79 2wni h THR 246 Ca -0.03 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.70 2wni h THR 246 Cb 1.08 -0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 2wni h THR 246 CO 0.09 0.22 0.20 -0.08 0.37 0.00 0.00 175.52 176.32 2wni h GLU 247 N 1.23 0.70 -0.08 6.66 4.57 -0.85 0.16 114.58 126.97 2wni h GLU 247 Ca 0.35 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.26 2wni h GLU 247 Cb -0.09 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.37 2wni h GLU 247 CO -0.09 0.62 -0.60 -0.97 -1.18 0.00 0.00 179.01 176.78 2wni h ASN 248 N 0.62 0.32 -0.31 1.04 -0.73 -1.02 -1.92 115.58 113.58 2wni h ASN 248 Ca 0.16 -0.19 0.04 0.00 1.87 0.00 0.00 56.30 58.18 2wni h ASN 248 Cb 0.18 -0.09 -0.04 0.00 0.27 0.00 0.00 38.32 38.64 2wni h ASN 248 CO -0.01 0.85 0.09 1.88 -0.37 0.00 0.00 177.43 179.87 2wni h TYR 249 N 0.21 0.16 -0.82 0.67 -1.99 -0.91 -1.66 116.97 112.63 2wni h TYR 249 Ca -0.01 0.02 0.17 0.00 2.00 0.00 0.00 58.73 60.92 2wni h TYR 249 Cb 1.11 -0.02 -0.06 0.00 2.00 0.00 0.00 36.73 39.76 2wni h TYR 249 CO 0.03 0.06 0.55 -0.44 -0.00 0.00 0.00 178.16 178.35 2wni h ASP 250 N 0.22 0.39 -0.53 3.88 3.32 -0.23 -0.54 116.42 122.92 2wni h ASP 250 Ca 0.14 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2wni h ASP 250 Cb 0.13 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.64 2wni h ASP 250 CO -0.16 0.18 0.00 0.18 -1.72 0.00 0.00 179.24 177.72 2wni n LEU 251 N -4.49 4.81 0.00 1.55 4.77 -0.77 -3.96 117.00 118.91 2wni n LEU 251 Ca 0.17 -2.68 0.00 0.00 -0.03 0.00 0.00 56.01 53.47 2wni n LEU 251 Cb 0.61 -0.58 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2wni n LEU 251 CO 0.32 0.73 0.00 -1.54 -1.33 0.00 0.00 177.39 175.57 2wni n SER 252 N 0.62 0.00 0.22 -1.43 3.41 -0.35 -4.89 113.62 111.20 2wni n SER 252 Ca 0.25 0.00 0.09 0.00 -0.26 0.00 0.00 58.87 58.95 2wni n SER 252 Cb 0.96 0.00 0.47 0.00 -0.26 0.00 0.00 64.21 65.38 2wni n SER 252 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 2wni h ASN 253 N 0.00 0.00 -0.72 4.04 4.21 -1.64 -2.71 115.58 118.76 2wni h ASN 253 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2wni h ASN 253 Cb 0.00 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.20 2wni h ASN 253 CO 0.00 0.25 0.00 0.47 -1.29 0.00 0.00 177.43 176.86 2wni n ASP 254 N -3.51 4.22 -4.69 5.81 8.00 -0.40 -4.19 116.55 121.80 2wni n ASP 254 Ca -0.00 -2.13 -0.42 0.00 0.71 0.00 0.00 54.79 52.94 2wni n ASP 254 Cb 0.42 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.96 2wni n ASP 254 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2wni s VAL 255 N -1.25 4.04 0.16 2.53 1.01 -1.02 -4.92 120.40 120.95 2wni s VAL 255 Ca 0.50 1.39 -0.22 0.00 0.00 0.00 0.00 61.98 63.65 2wni s VAL 255 Cb 0.28 -3.89 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2wni s VAL 255 CO 0.31 -0.01 1.62 0.25 0.00 0.00 0.00 175.10 177.28 2wni h LEU 256 N 8.29 -0.86 -0.88 3.92 5.85 -1.90 0.32 115.31 130.06 2wni h LEU 256 Ca -0.35 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.65 2wni h LEU 256 Cb 1.17 0.41 -0.09 0.00 0.37 0.00 0.00 40.66 42.52 2wni h LEU 256 CO 0.89 -0.29 0.50 0.22 -0.34 0.00 0.00 178.44 179.42 2wni h TYR 257 N -0.25 0.89 -0.06 1.25 3.20 -1.95 0.22 116.97 120.26 2wni h TYR 257 Ca 0.15 0.03 -0.22 0.00 3.14 0.00 0.00 58.73 61.83 2wni h TYR 257 Cb 0.49 -0.27 0.01 0.00 1.54 0.00 0.00 36.73 38.50 2wni h TYR 257 CO -0.44 0.30 -0.87 1.15 -1.64 0.00 0.00 178.16 176.66 2wni h THR 258 N 0.76 1.33 -0.14 1.81 2.02 -1.41 -2.26 112.91 115.02 2wni h THR 258 Ca 0.45 -2.19 -0.16 0.00 0.77 0.00 0.00 66.41 65.28 2wni h THR 258 Cb 0.53 2.21 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 2wni h THR 258 CO -0.30 0.67 -0.59 0.00 0.37 0.00 0.00 175.52 175.67 2wni h ALA 259 N 0.66 0.70 -0.09 6.16 0.00 -0.23 -0.57 119.26 125.89 2wni h ALA 259 Ca -0.07 -0.53 0.02 0.00 0.00 0.00 0.00 54.91 54.33 2wni h ALA 259 Cb 1.49 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2wni h ALA 259 CO 0.16 0.71 -0.06 1.96 0.00 0.00 0.00 179.25 182.02 2wni h GLN 260 N 0.35 -0.06 -0.11 0.00 4.20 -0.49 0.18 115.11 119.19 2wni h GLN 260 Ca -0.00 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2wni h GLN 260 Cb 1.13 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2wni h GLN 260 CO 0.11 -0.04 -0.29 0.87 -0.67 0.00 0.00 178.83 178.81 2wni h LYS 261 N -0.06 0.39 -0.01 1.46 1.79 -1.30 -3.01 116.57 115.82 2wni h LYS 261 Ca 0.06 -0.27 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 2wni h LYS 261 Cb 0.15 0.04 0.00 0.00 -1.58 0.00 0.00 32.23 30.84 2wni h LYS 261 CO -0.13 0.88 -0.68 0.54 -1.08 0.00 0.00 179.45 178.99 2wni n ARG 262 N -4.43 0.42 0.00 3.15 1.74 -0.23 -4.44 116.66 112.87 2wni n ARG 262 Ca -0.07 -0.33 0.00 0.00 -0.77 0.00 0.00 57.85 56.68 2wni n ARG 262 Cb 0.47 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 2wni n ARG 262 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wni n GLY 263 N 1.46 0.22 0.37 -0.13 0.00 0.62 -4.71 105.19 103.01 2wni n GLY 263 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2wni n GLY 263 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wni h SER 264 N 0.00 0.79 0.38 1.61 0.02 -1.42 -0.96 113.55 113.97 2wni h SER 264 Ca 0.00 0.03 -0.06 0.00 -0.84 0.00 0.00 61.79 60.93 2wni h SER 264 Cb 0.00 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.40 2wni h SER 264 CO 0.00 0.44 -0.26 1.62 -1.14 0.00 0.00 176.83 177.49 2wni h VAL 265 N 0.86 1.00 0.05 2.27 3.04 -1.82 0.44 116.25 122.08 2wni h VAL 265 Ca 0.44 -0.96 -0.29 0.00 -1.01 0.00 0.00 66.70 64.87 2wni h VAL 265 Cb 0.50 1.55 -0.03 0.00 -2.01 0.00 0.00 31.29 31.30 2wni h VAL 265 CO -0.20 0.26 -1.61 -0.11 -1.01 0.00 0.00 177.57 174.89 2wni n LEU 266 N -3.96 2.17 -0.18 3.16 7.94 -0.49 -1.76 117.00 123.90 2wni n LEU 266 Ca -0.02 0.33 -0.02 0.00 -1.11 0.00 0.00 56.01 55.19 2wni n LEU 266 Cb 0.34 -1.02 0.08 0.00 0.53 0.00 0.00 43.42 43.35 2wni n LEU 266 CO 0.36 0.52 0.98 0.25 -1.11 0.00 0.00 177.39 178.39 2wni h LEU 267 N -0.59 0.23 -1.38 -1.96 5.85 -1.07 0.12 115.31 116.52 2wni h LEU 267 Ca -0.40 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.36 2wni h LEU 267 Cb 1.60 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.64 2wni h LEU 267 CO -0.11 0.16 0.20 -1.13 -0.34 0.00 0.00 178.44 177.21 2wni h ASN 268 N 0.40 0.56 0.50 1.25 -1.24 -1.00 0.33 115.58 116.38 2wni h ASN 268 Ca 0.26 -0.05 -0.10 0.00 0.71 0.00 0.00 56.30 57.12 2wni h ASN 268 Cb 0.27 -0.14 -0.01 0.00 0.73 0.00 0.00 38.32 39.16 2wni h ASN 268 CO -0.25 0.49 -0.49 0.00 -1.29 0.00 0.00 177.43 175.90 2wni h ALA 269 N 1.60 1.18 0.02 1.57 0.00 -0.41 -0.30 119.26 122.92 2wni h ALA 269 Ca 0.15 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2wni h ALA 269 Cb 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wni h ALA 269 CO -0.02 0.61 -0.18 0.52 0.00 0.00 0.00 179.25 180.18 2wni h MET 270 N 0.00 0.09 -0.70 0.00 2.86 0.19 -0.95 114.93 116.42 2wni h MET 270 Ca -0.00 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.58 2wni h MET 270 Cb 0.87 0.04 -0.06 0.00 0.06 0.00 0.00 31.60 32.51 2wni h MET 270 CO 0.06 0.96 0.38 -0.07 1.06 0.00 0.00 176.91 179.31 2wni h LEU 271 N -0.72 0.56 -1.60 1.22 3.38 -0.53 -0.14 115.31 117.48 2wni h LEU 271 Ca -0.03 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wni h LEU 271 Cb 1.04 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 2wni h LEU 271 CO 0.03 0.35 -0.17 0.44 0.09 0.00 0.00 178.44 179.18 2wni h ASP 272 N 0.69 0.04 1.55 -0.43 3.32 -0.95 -2.00 116.42 118.65 2wni h ASP 272 Ca 0.32 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.30 2wni h ASP 272 Cb 0.24 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 2wni h ASP 272 CO -0.20 0.21 -0.31 1.23 -1.72 0.00 0.00 179.24 178.45 2wni h GLY 273 N 0.57 0.00 0.87 2.75 0.00 0.37 -2.79 103.07 104.85 2wni h GLY 273 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.34 2wni h GLY 273 CO 0.02 0.00 -0.41 1.55 0.00 0.00 0.00 176.54 177.70 2wni n VAL 274 N -3.21 0.00 -2.55 4.60 3.14 -0.57 -4.81 118.33 114.93 2wni n VAL 274 Ca 0.02 -0.03 -0.34 0.00 -2.96 0.00 0.00 64.34 61.04 2wni n VAL 274 Cb 0.62 0.24 -0.04 0.00 -1.06 0.00 0.00 33.84 33.60 2wni n VAL 274 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2wni s LYS 275 N -2.87 3.84 0.78 1.45 1.02 -1.05 -4.79 119.74 118.11 2wni s LYS 275 Ca 0.15 1.31 -0.14 0.00 0.02 0.00 0.00 55.97 57.31 2wni s LYS 275 Cb 0.18 -2.10 0.07 0.00 -0.52 0.00 0.00 37.83 35.45 2wni s LYS 275 CO 0.65 -0.39 1.21 -2.14 -0.92 0.00 0.00 175.35 173.76 2wni s PRO 276 N -3.29 1.82 -0.80 -1.68 0.02 -1.26 -3.12 135.00 126.69 2wni s PRO 276 Ca 0.66 1.77 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2wni s PRO 276 Cb -0.15 -1.79 0.00 0.00 0.02 0.00 0.00 34.50 32.57 2wni s PRO 276 CO 0.20 -2.08 0.00 0.39 -0.33 0.00 0.00 177.00 175.18 2wni n GLU 277 N -3.07 -0.62 -1.75 5.54 -0.58 -1.26 -5.00 120.64 113.90 2wni n GLU 277 Ca 0.14 0.73 -0.33 0.00 -0.42 0.00 0.00 57.16 57.28 2wni n GLU 277 Cb 0.50 -4.56 0.05 0.00 -0.57 0.00 0.00 31.44 26.86 2wni n GLU 277 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wni s ALA 278 N -2.23 2.48 -0.10 0.62 0.00 -1.18 -5.05 121.76 116.30 2wni s ALA 278 Ca 0.00 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.50 2wni s ALA 278 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 23.12 19.82 2wni s ALA 278 CO 0.00 -1.26 -0.17 0.45 0.00 0.00 0.00 175.76 174.78 2wni s SER 279 N -2.64 2.51 0.90 0.00 0.15 -1.26 -3.86 113.70 109.50 2wni s SER 279 Ca 0.66 -0.45 -0.10 0.00 0.70 0.00 0.00 55.95 56.77 2wni s SER 279 Cb -0.20 -1.13 0.19 0.00 -1.71 0.00 0.00 66.02 63.17 2wni s SER 279 CO 0.42 0.04 1.18 -0.81 1.20 0.00 0.00 173.24 175.27 2wni n PRO 280 N 4.05 -0.83 -3.38 5.44 -0.04 -1.26 -4.41 135.00 134.57 2wni n PRO 280 Ca -0.20 -2.26 -0.45 0.00 -0.04 0.00 0.00 63.50 60.56 2wni n PRO 280 Cb 0.52 -1.08 -0.05 0.00 -0.04 0.00 0.00 33.50 32.84 2wni n PRO 280 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2wni s ASN 281 N -5.46 6.16 0.02 3.54 3.84 -1.25 -4.97 114.94 116.82 2wni s ASN 281 Ca 0.70 -2.02 -0.15 0.00 0.21 0.00 0.00 52.86 51.61 2wni s ASN 281 Cb -0.03 -2.16 0.02 0.00 -0.55 0.00 0.00 41.25 38.54 2wni s ASN 281 CO 0.48 -0.76 0.33 0.68 -2.79 0.00 0.00 177.10 175.05 2wni s VAL 282 N 1.23 0.07 0.09 -5.21 -7.23 -1.26 -4.49 120.40 103.60 2wni s VAL 282 Ca 0.07 -0.56 0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2wni s VAL 282 Cb -0.25 -0.84 -0.25 0.00 0.56 0.00 0.00 36.38 35.60 2wni s VAL 282 CO -0.00 -0.31 1.17 0.03 -0.31 0.00 0.00 175.10 175.68 2wni h ARG 283 N 3.38 0.13 -3.76 4.82 2.47 -1.18 -3.43 114.38 116.81 2wni h ARG 283 Ca -0.31 -0.22 -0.53 0.00 -1.26 0.00 0.00 59.98 57.66 2wni h ARG 283 Cb 1.19 0.08 -0.39 0.00 -1.65 0.00 0.00 29.97 29.20 2wni h ARG 283 CO 0.43 1.08 -0.77 -0.46 0.56 0.00 0.00 179.97 180.81 2wni s TRP 284 N -2.68 1.28 -0.27 3.04 -0.00 -0.47 0.27 118.94 120.11 2wni s TRP 284 Ca -0.02 -0.95 -0.09 0.00 -0.00 0.00 0.00 56.10 55.03 2wni s TRP 284 Cb 0.08 -1.13 -0.03 0.00 -0.00 0.00 0.00 33.47 32.40 2wni s TRP 284 CO 0.85 -0.61 0.14 -1.17 -0.00 0.00 0.00 176.95 176.16 2wni s LEU 285 N 1.77 3.80 -0.21 5.86 2.96 0.26 -1.67 118.68 131.45 2wni s LEU 285 Ca -0.01 -0.18 0.02 0.00 -0.22 0.00 0.00 54.13 53.74 2wni s LEU 285 Cb -0.17 -2.02 0.04 0.00 0.50 0.00 0.00 46.19 44.54 2wni s LEU 285 CO -0.07 -0.07 -0.14 -0.22 -1.32 0.00 0.00 176.35 174.53 2wni s LEU 286 N 1.68 2.61 -0.12 -0.68 2.96 -0.07 -0.77 118.68 124.29 2wni s LEU 286 Ca 0.06 -0.97 -0.02 0.00 -0.22 0.00 0.00 54.13 52.99 2wni s LEU 286 Cb -0.16 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.08 2wni s LEU 286 CO 0.07 -0.11 -0.05 -0.76 -1.32 0.00 0.00 176.35 174.19 2wni s LEU 287 N 1.26 3.23 -0.18 -0.68 1.43 0.16 -0.32 118.68 123.58 2wni s LEU 287 Ca -0.01 -0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.01 2wni s LEU 287 Cb -0.16 -1.75 0.04 0.00 0.03 0.00 0.00 46.19 44.34 2wni s LEU 287 CO -0.09 0.25 -0.12 -0.69 0.23 0.00 0.00 176.35 175.93 2wni s VAL 288 N -0.12 1.63 0.00 -1.59 1.01 -0.93 0.25 120.40 120.65 2wni s VAL 288 Ca 0.02 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2wni s VAL 288 Cb -0.13 -1.65 0.00 0.00 0.00 0.00 0.00 36.38 34.60 2wni s VAL 288 CO 0.03 0.27 0.00 0.00 0.00 0.00 0.00 175.10 175.39 2wni n ALA 289 N 4.71 0.00 -2.77 5.51 0.00 0.24 -1.28 120.51 126.93 2wni n ALA 289 Ca -0.16 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.06 2wni n ALA 289 Cb 0.48 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.87 2wni n ALA 289 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 2wni s HIS 290 N 1.14 2.98 0.44 0.00 3.76 -1.26 -1.14 115.29 121.22 2wni s HIS 290 Ca 0.00 -0.14 0.16 0.00 -0.15 0.00 0.00 55.06 54.93 2wni s HIS 290 Cb 0.00 -1.34 1.08 0.00 1.11 0.00 0.00 32.58 33.43 2wni s HIS 290 CO 0.00 0.55 1.96 0.38 -0.85 0.00 0.00 174.74 176.78 2wni h ASP 291 N 1.67 0.33 -0.44 1.40 3.04 -1.93 -1.14 116.42 119.35 2wni h ASP 291 Ca -0.47 0.01 -0.03 0.00 -3.24 0.00 0.00 57.03 53.30 2wni h ASP 291 Cb 1.24 -0.06 -0.02 0.00 -1.04 0.00 0.00 39.33 39.45 2wni h ASP 291 CO 0.61 0.19 0.19 0.71 -2.04 0.00 0.00 179.24 178.89 2wni h THR 292 N 0.36 1.19 -0.03 1.15 1.35 -1.99 -1.37 112.91 113.56 2wni h THR 292 Ca 0.30 -0.59 -0.00 0.00 -0.55 0.00 0.00 66.41 65.57 2wni h THR 292 Cb 0.70 0.61 -0.00 0.00 -1.73 0.00 0.00 68.15 67.72 2wni h THR 292 CO -0.08 0.23 0.00 0.78 -0.25 0.00 0.00 175.52 176.20 2wni h ASN 293 N 0.70 0.06 -0.52 5.36 4.21 -1.58 -1.34 115.58 122.46 2wni h ASN 293 Ca 0.17 -0.29 0.00 0.00 1.21 0.00 0.00 56.30 57.39 2wni h ASN 293 Cb 0.15 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.31 2wni h ASN 293 CO -0.02 0.33 0.33 0.40 -1.29 0.00 0.00 177.43 177.19 2wni h ILE 294 N -0.22 1.15 -0.39 2.81 2.04 -1.14 -1.26 117.51 120.50 2wni h ILE 294 Ca 0.01 -0.30 -0.15 0.00 1.00 0.00 0.00 64.86 65.42 2wni h ILE 294 Cb 0.30 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2wni h ILE 294 CO 0.00 0.15 -0.34 0.00 0.00 0.00 0.00 178.15 177.96 2wni h ALA 295 N 1.64 0.67 -0.15 1.87 0.00 -0.98 0.73 119.26 123.03 2wni h ALA 295 Ca 0.19 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.48 2wni h ALA 295 Cb -0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wni h ALA 295 CO -0.04 0.67 -0.68 0.52 0.00 0.00 0.00 179.25 179.72 2wni h MET 296 N 0.74 0.62 -0.30 0.00 2.86 -0.19 -1.99 114.93 116.67 2wni h MET 296 Ca 0.07 -0.47 -0.03 0.00 -2.06 0.00 0.00 59.70 57.22 2wni h MET 296 Cb 0.91 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.64 2wni h MET 296 CO 0.08 1.09 0.08 0.28 1.06 0.00 0.00 176.91 179.50 2wni h VAL 297 N 0.44 1.21 0.00 -2.22 2.07 -1.06 -1.01 116.25 115.68 2wni h VAL 297 Ca -0.02 -0.70 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 2wni h VAL 297 Cb 1.27 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 32.14 2wni h VAL 297 CO 0.13 0.23 -0.25 0.08 0.02 0.00 0.00 177.57 177.78 2wni h ARG 298 N 0.33 0.00 -0.08 1.57 -0.00 -0.68 -0.93 114.38 114.59 2wni h ARG 298 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 59.98 60.06 2wni h ARG 298 Cb 0.28 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 30.24 2wni h ARG 298 CO -0.00 0.25 -0.00 1.15 -0.00 0.00 0.00 179.97 181.37 2wni h THR 299 N 0.00 1.26 -0.79 0.08 2.02 -1.08 -0.99 112.91 113.41 2wni h THR 299 Ca -0.00 -0.81 0.12 0.00 0.77 0.00 0.00 66.41 66.49 2wni h THR 299 Cb 1.03 1.65 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 2wni h THR 299 CO 0.03 0.23 0.52 -0.07 0.37 0.00 0.00 175.52 176.60 2wni h LEU 300 N -0.16 0.56 0.00 2.58 3.38 -0.87 0.44 115.31 121.24 2wni h LEU 300 Ca 0.02 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2wni h LEU 300 Cb 0.36 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2wni h LEU 300 CO 0.00 0.31 0.00 0.23 0.09 0.00 0.00 178.44 179.07 2wni n MET 301 N -4.51 0.30 -3.97 1.13 2.81 -0.38 -4.44 117.12 108.06 2wni n MET 301 Ca 0.14 0.06 -0.32 0.00 -1.81 0.00 0.00 57.70 55.78 2wni n MET 301 Cb 0.43 -1.50 -0.04 0.00 -0.71 0.00 0.00 33.22 31.40 2wni n MET 301 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2wni n ASN 302 N -1.31 -2.57 -4.38 7.83 4.05 0.14 -4.85 115.26 114.17 2wni n ASN 302 Ca 0.11 -0.79 -0.41 0.00 0.45 0.00 0.00 54.58 53.93 2wni n ASN 302 Cb 0.20 -2.17 -0.11 0.00 1.23 0.00 0.00 39.78 38.93 2wni n ASN 302 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 2wni s PHE 303 N -3.04 3.25 -0.16 1.20 5.36 -0.43 -5.03 117.98 119.12 2wni s PHE 303 Ca 0.62 -0.94 -0.05 0.00 -0.96 0.00 0.00 56.93 55.60 2wni s PHE 303 Cb -0.35 -2.48 -0.03 0.00 -0.34 0.00 0.00 43.02 39.81 2wni s PHE 303 CO 0.77 -0.65 0.01 0.45 -1.46 0.00 0.00 175.22 174.34 2wni s SER 304 N 1.60 5.23 0.21 6.13 0.15 -1.26 -4.62 113.70 121.13 2wni s SER 304 Ca 0.02 -0.01 0.06 0.00 0.70 0.00 0.00 55.95 56.73 2wni s SER 304 Cb -0.19 -1.85 -0.05 0.00 -1.71 0.00 0.00 66.02 62.22 2wni s SER 304 CO 0.07 0.19 -0.10 -1.66 1.20 0.00 0.00 173.24 172.94 2wni s TRP 305 N 0.27 1.63 -0.17 3.44 -2.14 -1.26 -4.99 118.94 115.72 2wni s TRP 305 Ca 0.00 -0.68 -0.04 0.00 2.66 0.00 0.00 56.10 58.04 2wni s TRP 305 Cb -0.13 -0.83 0.08 0.00 -3.10 0.00 0.00 33.47 29.49 2wni s TRP 305 CO 0.02 0.23 0.24 -1.14 -2.66 0.00 0.00 176.95 173.64 2wni s GLN 306 N -3.71 0.17 -0.03 3.25 0.74 -1.26 0.06 119.66 118.88 2wni s GLN 306 Ca 0.23 0.46 -0.07 0.00 0.05 0.00 0.00 55.36 56.03 2wni s GLN 306 Cb 0.02 -0.63 -0.05 0.00 1.10 0.00 0.00 33.01 33.45 2wni s GLN 306 CO 0.06 -0.48 0.24 -0.51 -0.55 0.00 0.00 175.29 174.05 2wni s LEU 307 N 2.37 4.39 -0.04 3.68 1.43 -1.26 -5.02 118.68 124.22 2wni s LEU 307 Ca 0.05 0.55 -0.38 0.00 -1.03 0.00 0.00 54.13 53.32 2wni s LEU 307 Cb -0.14 -2.50 -0.17 0.00 0.03 0.00 0.00 46.19 43.41 2wni s LEU 307 CO -0.10 0.30 1.42 -2.65 0.23 0.00 0.00 176.35 175.55 2wni n PRO 308 N 1.40 0.96 -0.21 1.29 -0.02 -1.26 -0.66 135.00 136.49 2wni n PRO 308 Ca -0.14 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.69 2wni n PRO 308 Cb 0.53 -1.98 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2wni n PRO 308 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wni n GLY 309 N 2.89 0.85 3.31 -1.23 0.00 -1.26 -4.87 105.19 104.87 2wni n GLY 309 Ca 0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.04 2wni n GLY 309 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wni s TYR 310 N -2.57 1.63 0.62 1.61 2.02 0.16 -4.43 117.35 116.39 2wni s TYR 310 Ca 0.00 -0.55 -0.00 0.00 -0.37 0.00 0.00 57.07 56.14 2wni s TYR 310 Cb 0.00 -0.80 0.07 0.00 -0.40 0.00 0.00 41.96 40.83 2wni s TYR 310 CO 0.00 0.28 0.87 -1.54 -1.57 0.00 0.00 175.55 173.59 2wni s SER 311 N -2.90 4.91 0.13 2.29 1.04 -1.26 -4.44 113.70 113.47 2wni s SER 311 Ca 0.17 -0.08 -0.35 0.00 0.48 0.00 0.00 55.95 56.17 2wni s SER 311 Cb -0.03 -0.61 -0.15 0.00 0.10 0.00 0.00 66.02 65.33 2wni s SER 311 CO 0.05 -1.43 1.46 -1.14 0.98 0.00 0.00 173.24 173.16 2wni n ARG 312 N -2.57 1.70 -0.67 4.02 0.63 -1.26 -1.22 116.66 117.29 2wni n ARG 312 Ca 0.10 0.61 0.00 0.00 -0.92 0.00 0.00 57.85 57.65 2wni n ARG 312 Cb 0.60 -2.32 0.00 0.00 0.45 0.00 0.00 32.46 31.19 2wni n ARG 312 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2wni n GLY 313 N 2.95 1.25 3.77 5.14 0.00 0.11 -4.70 105.19 113.71 2wni n GLY 313 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2wni n GLY 313 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2wni s ASN 314 N -3.14 6.35 -0.54 1.61 3.84 -0.36 -4.98 114.94 117.72 2wni s ASN 314 Ca 0.00 2.68 0.02 0.00 0.21 0.00 0.00 52.86 55.77 2wni s ASN 314 Cb 0.00 -2.64 0.14 0.00 -0.55 0.00 0.00 41.25 38.20 2wni s ASN 314 CO 0.00 -0.83 0.30 -0.63 -2.79 0.00 0.00 177.10 173.15 2wni s ILE 315 N -1.24 2.90 0.66 -5.21 1.01 -1.26 -4.97 121.20 113.09 2wni s ILE 315 Ca 0.56 -3.14 -0.15 0.00 0.00 0.00 0.00 60.65 57.91 2wni s ILE 315 Cb -0.39 -2.98 0.00 0.00 0.01 0.00 0.00 42.46 39.11 2wni s ILE 315 CO 0.50 -0.81 1.13 -2.84 0.00 0.00 0.00 174.94 172.93 2wni s PRO 316 N -0.13 2.71 0.39 2.79 0.02 -1.26 -4.93 135.00 134.58 2wni s PRO 316 Ca 0.16 1.50 -0.26 0.00 0.02 0.00 0.00 61.00 62.43 2wni s PRO 316 Cb -0.24 -1.93 -0.11 0.00 0.02 0.00 0.00 34.50 32.24 2wni s PRO 316 CO -0.02 -1.34 1.12 -0.35 -0.33 0.00 0.00 177.00 176.08 2wni n PRO 317 N -2.37 1.62 -0.93 5.54 -0.04 -1.26 -1.48 135.00 136.08 2wni n PRO 317 Ca 0.11 0.58 0.00 0.00 -0.04 0.00 0.00 63.50 64.15 2wni n PRO 317 Cb 0.51 -2.14 0.00 0.00 -0.04 0.00 0.00 33.50 31.83 2wni n PRO 317 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2wni n GLY 318 N 1.03 0.35 3.94 0.55 0.00 0.51 -4.80 105.19 106.77 2wni n GLY 318 Ca 0.08 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 2wni n GLY 318 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wni s SER 319 N -2.16 3.93 -0.15 1.61 1.04 -0.55 -4.76 113.70 112.67 2wni s SER 319 Ca 0.00 0.27 -0.29 0.00 0.48 0.00 0.00 55.95 56.41 2wni s SER 319 Cb 0.00 -0.57 0.08 0.00 0.10 0.00 0.00 66.02 65.63 2wni s SER 319 CO 0.00 -2.20 0.76 -0.94 0.98 0.00 0.00 173.24 171.84 2wni s SER 320 N -4.73 -0.64 -0.15 7.02 1.04 -0.37 -0.80 113.70 115.08 2wni s SER 320 Ca 0.68 0.91 -0.14 0.00 0.48 0.00 0.00 55.95 57.88 2wni s SER 320 Cb -0.07 0.81 -0.05 0.00 0.10 0.00 0.00 66.02 66.82 2wni s SER 320 CO 0.49 -0.44 0.31 -0.22 0.98 0.00 0.00 173.24 174.36 2wni s LEU 321 N -0.61 4.26 -0.04 2.42 0.20 0.59 -0.88 118.68 124.61 2wni s LEU 321 Ca -0.06 0.55 0.03 0.00 0.69 0.00 0.00 54.13 55.35 2wni s LEU 321 Cb -0.02 -2.40 0.01 0.00 -0.43 0.00 0.00 46.19 43.35 2wni s LEU 321 CO 0.05 0.11 -0.12 -0.69 -0.29 0.00 0.00 176.35 175.41 2wni s VAL 322 N 0.36 1.09 -0.22 1.68 1.01 -0.01 0.19 120.40 124.49 2wni s VAL 322 Ca 0.18 -0.50 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2wni s VAL 322 Cb -0.13 -0.97 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 2wni s VAL 322 CO 0.05 0.33 -0.04 -0.76 0.00 0.00 0.00 175.10 174.68 2wni s LEU 323 N 0.33 2.92 -0.09 3.92 1.43 0.13 -1.90 118.68 125.43 2wni s LEU 323 Ca -0.07 -0.38 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 2wni s LEU 323 Cb -0.12 -1.75 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2wni s LEU 323 CO 0.02 -0.02 -0.14 -1.61 0.23 0.00 0.00 176.35 174.83 2wni s GLU 324 N 1.46 2.92 -0.22 1.70 2.02 0.47 -1.02 118.70 126.02 2wni s GLU 324 Ca 0.06 -0.69 -0.07 0.00 0.02 0.00 0.00 54.97 54.28 2wni s GLU 324 Cb -0.14 -2.49 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 2wni s GLU 324 CO -0.03 0.43 0.07 0.50 0.02 0.00 0.00 175.26 176.25 2wni s ARG 325 N -0.22 3.80 0.23 1.61 3.52 0.76 -0.27 118.95 128.38 2wni s ARG 325 Ca 0.01 -0.42 0.10 0.00 -0.13 0.00 0.00 55.73 55.28 2wni s ARG 325 Cb -0.13 -3.29 -0.04 0.00 -1.56 0.00 0.00 34.95 29.92 2wni s ARG 325 CO 0.03 0.00 -0.06 -1.58 -0.81 0.00 0.00 175.30 172.88 2wni s TRP 326 N 1.11 2.62 -0.05 5.12 0.52 0.11 -0.95 118.94 127.43 2wni s TRP 326 Ca 0.04 -0.23 0.02 0.00 0.02 0.00 0.00 56.10 55.95 2wni s TRP 326 Cb -0.14 -1.21 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2wni s TRP 326 CO 0.03 0.59 -0.09 0.50 0.02 0.00 0.00 176.95 178.00 2wni s ARG 327 N -3.30 1.23 -0.20 4.98 3.52 0.56 -0.81 118.95 124.93 2wni s ARG 327 Ca 0.29 -0.29 -0.29 0.00 -0.13 0.00 0.00 55.73 55.30 2wni s ARG 327 Cb -0.07 -1.09 -0.01 0.00 -1.56 0.00 0.00 34.95 32.21 2wni s ARG 327 CO 0.17 0.02 1.32 0.34 -0.81 0.00 0.00 175.30 176.35 2wni s ASP 328 N 0.59 6.82 0.13 -2.12 -1.08 -0.43 -0.53 116.67 120.05 2wni s ASP 328 Ca -0.10 1.59 -0.19 0.00 -0.52 0.00 0.00 52.55 53.33 2wni s ASP 328 Cb -0.13 -2.54 -0.05 0.00 -1.46 0.00 0.00 42.92 38.74 2wni s ASP 328 CO 0.02 -0.89 1.76 0.00 0.52 0.00 0.00 175.17 176.58 2wni h ALA 329 N 8.73 0.32 0.05 3.66 0.00 -1.02 -0.30 119.26 130.70 2wni h ALA 329 Ca -0.27 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wni h ALA 329 Cb 1.11 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 2wni h ALA 329 CO 0.99 -0.19 -0.04 -0.22 0.00 0.00 0.00 179.25 179.79 2wni h LYS 330 N 0.33 -0.08 0.00 0.00 3.64 -1.92 -3.32 116.57 115.21 2wni h LYS 330 Ca 0.09 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.48 2wni h LYS 330 Cb -0.01 0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 2wni h LYS 330 CO -0.02 -0.05 -0.16 -1.13 -2.27 0.00 0.00 179.45 175.82 2wni n SER 331 N -2.41 0.16 0.00 4.20 3.41 -1.21 -4.90 113.62 112.87 2wni n SER 331 Ca -0.01 0.26 0.00 0.00 -0.26 0.00 0.00 58.87 58.86 2wni n SER 331 Cb 0.04 -0.26 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 2wni n SER 331 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wni n GLY 332 N 1.50 0.17 3.79 5.00 0.00 -0.13 -5.00 105.19 110.52 2wni n GLY 332 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2wni n GLY 332 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wni s GLU 333 N -1.31 4.35 -0.03 1.61 2.02 -1.25 -4.76 118.70 119.32 2wni s GLU 333 Ca 0.00 1.31 -0.08 0.00 0.02 0.00 0.00 54.97 56.23 2wni s GLU 333 Cb 0.00 -2.53 -0.05 0.00 0.10 0.00 0.00 34.13 31.66 2wni s GLU 333 CO 0.00 0.06 0.25 1.03 0.02 0.00 0.00 175.26 176.62 2wni s ARG 334 N -2.54 3.58 0.11 1.61 0.52 -1.26 -1.31 118.95 119.66 2wni s ARG 334 Ca 0.56 -0.03 0.02 0.00 -0.52 0.00 0.00 55.73 55.76 2wni s ARG 334 Cb -0.17 -3.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.13 2wni s ARG 334 CO 0.21 0.69 -0.07 0.71 0.02 0.00 0.00 175.30 176.87 2wni s TYR 335 N -1.20 0.96 -0.03 -0.53 1.51 0.01 -1.61 117.35 116.46 2wni s TYR 335 Ca 0.24 -0.89 0.05 0.00 -1.01 0.00 0.00 57.07 55.45 2wni s TYR 335 Cb -0.13 -0.54 -0.03 0.00 -0.11 0.00 0.00 41.96 41.15 2wni s TYR 335 CO 0.12 -0.11 -0.17 -1.17 -1.11 0.00 0.00 175.55 173.11 2wni s LEU 336 N -3.07 2.60 -0.05 -1.29 2.96 0.18 0.07 118.68 120.08 2wni s LEU 336 Ca 0.13 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 53.80 2wni s LEU 336 Cb 0.05 -1.51 -0.02 0.00 0.50 0.00 0.00 46.19 45.20 2wni s LEU 336 CO -0.04 0.32 -0.18 -0.60 -1.32 0.00 0.00 176.35 174.53 2wni s ARG 337 N -0.84 2.53 -0.04 1.98 3.52 0.62 0.65 118.95 127.37 2wni s ARG 337 Ca 0.12 -0.78 0.01 0.00 -0.13 0.00 0.00 55.73 54.95 2wni s ARG 337 Cb -0.10 -2.30 0.02 0.00 -1.56 0.00 0.00 34.95 31.00 2wni s ARG 337 CO 0.01 0.52 -0.04 0.08 -0.81 0.00 0.00 175.30 175.07 2wni s VAL 338 N -0.49 0.47 0.15 7.11 1.01 -1.26 -0.40 120.40 126.99 2wni s VAL 338 Ca 0.06 -0.09 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 2wni s VAL 338 Cb -0.12 -0.51 0.04 0.00 0.00 0.00 0.00 36.38 35.80 2wni s VAL 338 CO 0.01 0.21 0.45 -0.72 0.00 0.00 0.00 175.10 175.06 2wni s TYR 339 N 0.92 -0.23 -0.12 5.22 1.13 -0.80 0.43 117.35 123.90 2wni s TYR 339 Ca -0.11 -0.08 -0.01 0.00 -1.41 0.00 0.00 57.07 55.46 2wni s TYR 339 Cb -0.14 0.33 -0.02 0.00 -1.10 0.00 0.00 41.96 41.02 2wni s TYR 339 CO -0.00 -0.77 -0.07 0.12 -2.51 0.00 0.00 175.55 172.32 2wni s PHE 340 N -3.81 2.93 0.07 -3.49 5.36 0.08 -0.83 117.98 118.29 2wni s PHE 340 Ca 0.04 -0.28 0.06 0.00 -0.96 0.00 0.00 56.93 55.79 2wni s PHE 340 Cb 0.01 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.82 2wni s PHE 340 CO -0.10 0.05 -0.15 1.14 -1.46 0.00 0.00 175.22 174.69 2wni s GLN 341 N -0.06 0.87 0.33 10.12 -2.07 -0.06 -0.90 119.66 127.89 2wni s GLN 341 Ca -0.00 -0.97 -0.15 0.00 -1.82 0.00 0.00 55.36 52.42 2wni s GLN 341 Cb -0.13 -0.91 0.03 0.00 -1.09 0.00 0.00 33.01 30.90 2wni s GLN 341 CO 0.03 0.21 0.67 0.00 -1.32 0.00 0.00 175.29 174.88 2wni s ALA 342 N -1.23 -0.57 0.11 2.60 0.00 0.47 -1.23 121.76 121.90 2wni s ALA 342 Ca -0.01 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.22 2wni s ALA 342 Cb -0.10 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2wni s ALA 342 CO 0.02 -0.95 0.16 -0.65 0.00 0.00 0.00 175.76 174.34 2wni s GLN 343 N -3.16 3.11 0.92 0.00 -0.21 -1.26 0.48 119.66 119.54 2wni s GLN 343 Ca 0.18 -0.66 -0.12 0.00 0.02 0.00 0.00 55.36 54.77 2wni s GLN 343 Cb -0.04 -2.82 0.14 0.00 1.00 0.00 0.00 33.01 31.30 2wni s GLN 343 CO 0.11 0.55 1.10 0.20 -2.12 0.00 0.00 175.29 175.13 2wni s GLY 344 N -2.76 1.59 0.16 3.09 0.00 -1.26 -4.80 107.32 103.33 2wni s GLY 344 Ca 0.32 -0.32 -0.16 0.00 0.00 0.00 0.00 44.72 44.56 2wni s GLY 344 CO 0.25 0.23 1.73 1.41 0.00 0.00 0.00 173.10 176.72 2wni h LEU 345 N -1.60 0.02 -0.73 0.66 3.38 -1.90 -0.35 115.31 114.79 2wni h LEU 345 Ca -0.51 0.06 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 2wni h LEU 345 Cb 1.31 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 42.12 2wni h LEU 345 CO 0.58 0.05 -0.39 0.44 0.09 0.00 0.00 178.44 179.21 2wni h ASP 346 N 0.20 0.54 -0.92 -0.43 3.32 -1.96 -0.86 116.42 116.31 2wni h ASP 346 Ca 0.17 -0.23 0.01 0.00 0.02 0.00 0.00 57.03 56.99 2wni h ASP 346 Cb 0.18 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.54 2wni h ASP 346 CO -0.21 0.87 0.61 0.44 -1.72 0.00 0.00 179.24 179.23 2wni h ASP 347 N 0.42 1.06 -0.18 6.45 3.32 -1.82 0.17 116.42 125.84 2wni h ASP 347 Ca 0.04 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.98 2wni h ASP 347 Cb 0.87 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 40.16 2wni h ASP 347 CO 0.07 0.77 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.10 2wni h LEU 348 N 1.25 0.48 -1.27 1.55 3.38 -0.87 -0.03 115.31 119.80 2wni h LEU 348 Ca 0.34 -0.48 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2wni h LEU 348 Cb -0.14 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 2wni h LEU 348 CO -0.07 0.87 0.29 -0.09 0.09 0.00 0.00 178.44 179.53 2wni h ARG 349 N 0.10 0.79 -0.43 1.13 2.43 -0.75 -2.44 114.38 115.22 2wni h ARG 349 Ca 0.03 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2wni h ARG 349 Cb 0.74 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2wni h ARG 349 CO 0.05 0.60 0.00 0.54 -1.51 0.00 0.00 179.97 179.65 2wni n ARG 350 N -4.38 2.08 -4.28 0.20 1.74 0.57 -4.45 116.66 108.15 2wni n ARG 350 Ca 0.05 -1.68 -0.34 0.00 -0.77 0.00 0.00 57.85 55.11 2wni n ARG 350 Cb 0.11 -1.39 -0.06 0.00 -1.02 0.00 0.00 32.46 30.11 2wni n ARG 350 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wni n LEU 351 N 0.86 -1.37 -4.70 0.55 4.77 -0.92 -4.86 117.00 111.33 2wni n LEU 351 Ca 0.16 -1.15 -0.42 0.00 -0.03 0.00 0.00 56.01 54.57 2wni n LEU 351 Cb 0.41 -1.84 -0.03 0.00 -2.33 0.00 0.00 43.42 39.63 2wni n LEU 351 CO 0.12 0.33 1.09 -1.58 -1.33 0.00 0.00 177.39 176.02 2wni s GLN 352 N -7.07 4.30 -0.17 3.23 2.00 -0.06 -4.96 119.66 116.93 2wni s GLN 352 Ca 0.38 2.03 -0.29 0.00 -2.00 0.00 0.00 55.36 55.48 2wni s GLN 352 Cb -0.22 -3.40 -0.00 0.00 0.80 0.00 0.00 33.01 30.19 2wni s GLN 352 CO 0.97 -0.50 1.04 -0.08 -0.50 0.00 0.00 175.29 176.22 2wni s THR 353 N 1.71 4.69 0.18 -0.34 -1.32 -1.26 -4.88 115.64 114.41 2wni s THR 353 Ca 0.65 2.00 -0.31 0.00 -1.21 0.00 0.00 61.69 62.82 2wni s THR 353 Cb -0.34 -4.29 -0.09 0.00 -1.51 0.00 0.00 72.50 66.27 2wni s THR 353 CO 0.29 -0.10 1.39 -2.16 -2.21 0.00 0.00 174.62 171.82 2wni s PRO 354 N 2.73 4.32 0.22 7.08 0.04 -1.26 -4.86 135.00 143.27 2wni s PRO 354 Ca 0.46 2.14 -0.14 0.00 0.04 0.00 0.00 61.00 63.51 2wni s PRO 354 Cb -0.17 -3.19 0.05 0.00 0.04 0.00 0.00 34.50 31.23 2wni s PRO 354 CO 0.11 -0.38 0.70 -0.40 0.04 0.00 0.00 177.00 177.07 2wni n ASP 355 N 3.13 -1.55 -0.31 6.66 5.68 -0.80 -4.91 116.55 124.45 2wni n ASP 355 Ca 0.09 -1.97 0.09 0.00 -0.50 0.00 0.00 54.79 52.50 2wni n ASP 355 Cb 0.42 2.56 0.31 0.00 -1.14 0.00 0.00 41.12 43.27 2wni n ASP 355 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wni h ALA 356 N 2.00 1.67 0.00 2.12 0.00 -1.98 0.37 119.26 123.44 2wni h ALA 356 Ca -0.23 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2wni h ALA 356 Cb 0.93 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.55 2wni h ALA 356 CO 0.30 0.10 -0.20 0.94 0.00 0.00 0.00 179.25 180.39 2wni n GLN 357 N -4.57 0.19 -3.10 0.00 7.27 -1.26 -4.25 117.38 111.66 2wni n GLN 357 Ca 0.17 0.12 -0.16 0.00 0.07 0.00 0.00 57.00 57.20 2wni n GLN 357 Cb 0.39 -1.68 -0.01 0.00 2.41 0.00 0.00 30.24 31.35 2wni n GLN 357 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 2wni n HIS 358 N -1.99 -0.28 -1.98 3.69 8.25 0.11 -5.13 115.22 117.90 2wni n HIS 358 Ca 0.05 -3.51 -0.33 0.00 -0.26 0.00 0.00 57.72 53.68 2wni n HIS 358 Cb 0.40 -0.08 0.02 0.00 1.12 0.00 0.00 29.99 31.45 2wni n HIS 358 CO 0.00 0.00 0.00 -1.25 0.64 0.00 0.00 176.34 175.73 2wni s PRO 359 N -2.02 3.21 0.30 -0.41 0.04 -0.26 -1.91 135.00 133.95 2wni s PRO 359 Ca 0.37 1.22 -0.28 0.00 0.04 0.00 0.00 61.00 62.35 2wni s PRO 359 Cb 0.35 -2.02 -0.14 0.00 0.04 0.00 0.00 34.50 32.73 2wni s PRO 359 CO -0.07 -0.90 1.09 -1.33 0.04 0.00 0.00 177.00 175.83 2wni n MET 360 N -2.14 1.56 -2.47 4.56 2.81 -1.26 -4.84 117.12 115.33 2wni n MET 360 Ca 0.09 0.55 -0.37 0.00 -1.81 0.00 0.00 57.70 56.15 2wni n MET 360 Cb 0.53 -1.97 -0.03 0.00 -0.71 0.00 0.00 33.22 31.03 2wni n MET 360 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2wni s LEU 361 N 0.07 4.18 -0.18 4.03 1.43 0.18 -4.92 118.68 123.47 2wni s LEU 361 Ca 0.58 2.14 -0.16 0.00 -1.03 0.00 0.00 54.13 55.66 2wni s LEU 361 Cb -0.67 -4.10 0.05 0.00 0.03 0.00 0.00 46.19 41.50 2wni s LEU 361 CO 0.60 -0.52 0.48 -0.60 0.23 0.00 0.00 176.35 176.54 2wni s ARG 362 N -2.36 0.56 -0.02 1.70 3.52 -1.26 -0.40 118.95 120.69 2wni s ARG 362 Ca 0.57 0.69 0.02 0.00 -0.13 0.00 0.00 55.73 56.87 2wni s ARG 362 Cb -0.25 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.40 2wni s ARG 362 CO 0.32 -0.07 -0.07 -1.14 -0.81 0.00 0.00 175.30 173.53 2wni s GLN 363 N 0.34 0.74 0.01 5.12 0.74 -0.08 -4.98 119.66 121.55 2wni s GLN 363 Ca -0.01 -0.22 -0.10 0.00 0.05 0.00 0.00 55.36 55.09 2wni s GLN 363 Cb -0.04 -0.72 -0.05 0.00 1.10 0.00 0.00 33.01 33.31 2wni s GLN 363 CO -0.00 0.07 0.33 -1.21 -0.55 0.00 0.00 175.29 173.93 2wni s GLU 364 N 0.24 3.70 0.38 1.67 2.02 -1.26 -0.74 118.70 124.71 2wni s GLU 364 Ca -0.03 0.12 -0.24 0.00 0.02 0.00 0.00 54.97 54.84 2wni s GLU 364 Cb -0.08 -3.10 -0.10 0.00 0.10 0.00 0.00 34.13 30.95 2wni s GLU 364 CO 0.00 0.65 0.98 -0.46 0.02 0.00 0.00 175.26 176.45 2wni s TRP 365 N -1.24 3.43 0.06 1.61 -0.00 0.17 -4.97 118.94 118.00 2wni s TRP 365 Ca 0.27 1.68 -0.06 0.00 -0.00 0.00 0.00 56.10 57.99 2wni s TRP 365 Cb -0.14 -2.96 -0.01 0.00 -0.00 0.00 0.00 33.47 30.36 2wni s TRP 365 CO 0.14 -0.15 0.12 -0.98 -0.00 0.00 0.00 176.95 176.08 2wni s ARG 366 N -2.58 0.69 0.18 5.86 1.70 -1.26 -4.60 118.95 118.95 2wni s ARG 366 Ca 0.57 -0.89 -0.13 0.00 -0.47 0.00 0.00 55.73 54.81 2wni s ARG 366 Cb -0.16 0.27 0.01 0.00 -0.57 0.00 0.00 34.95 34.49 2wni s ARG 366 CO 0.21 -0.19 0.40 1.14 -1.08 0.00 0.00 175.30 175.79 2wni s GLN 367 N -3.25 1.29 0.40 3.89 -2.07 -1.26 -5.08 119.66 113.57 2wni s GLN 367 Ca 0.00 -1.05 -0.25 0.00 -1.82 0.00 0.00 55.36 52.24 2wni s GLN 367 Cb 0.02 0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 32.28 2wni s GLN 367 CO -0.08 -0.51 1.12 -2.30 -1.32 0.00 0.00 175.29 172.20 2wni n PRO 368 N -0.28 1.60 0.00 9.60 -0.02 -1.26 -2.36 135.00 142.28 2wni n PRO 368 Ca -0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.97 2wni n PRO 368 Cb 0.63 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2wni n PRO 368 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wni n GLY 369 N 1.03 2.43 3.76 -1.23 0.00 -1.26 -5.00 105.19 104.92 2wni n GLY 369 Ca 0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.76 2wni n GLY 369 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wni s ARG 371 N -3.68 1.64 -0.04 0.00 1.70 -0.28 -4.95 118.95 113.34 2wni s ARG 371 Ca 0.72 -1.01 -0.30 0.00 -0.47 0.00 0.00 55.73 54.67 2wni s ARG 371 Cb -0.24 -1.77 -0.03 0.00 -0.57 0.00 0.00 34.95 32.33 2wni s ARG 371 CO 0.36 0.46 1.16 -1.14 -1.08 0.00 0.00 175.30 175.06 2wni s GLN 372 N -1.13 4.39 0.39 3.89 2.00 -1.26 -0.66 119.66 127.28 2wni s GLN 372 Ca 0.10 1.63 0.04 0.00 -2.00 0.00 0.00 55.36 55.12 2wni s GLN 372 Cb -0.09 -3.52 -0.03 0.00 0.80 0.00 0.00 33.01 30.16 2wni s GLN 372 CO 0.02 -0.38 0.10 0.95 -0.50 0.00 0.00 175.29 175.48 2wni s THR 373 N 1.95 0.78 0.62 -0.34 -4.23 0.34 -4.97 115.64 109.79 2wni s THR 373 Ca 0.55 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.39 2wni s THR 373 Cb -0.24 -2.46 0.37 0.00 1.34 0.00 0.00 72.50 71.51 2wni s THR 373 CO 0.23 0.00 2.17 0.44 -0.54 0.00 0.00 174.62 176.92 2wni h ASP 374 N 1.86 0.00 -0.64 3.99 3.32 -2.05 -2.57 116.42 120.34 2wni h ASP 374 Ca -0.37 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2wni h ASP 374 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 2wni h ASP 374 CO 0.61 0.00 0.00 1.33 -1.72 0.00 0.00 179.24 179.46 2wni n VAL 375 N -3.49 1.06 0.00 -1.35 0.24 -1.26 -5.08 118.33 108.45 2wni n VAL 375 Ca -0.01 -1.02 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 2wni n VAL 375 Cb 0.23 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.07 2wni n VAL 375 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wni n GLY 376 N 1.34 0.26 3.60 7.63 0.00 -0.97 -5.00 105.19 112.05 2wni n GLY 376 Ca 0.22 -2.31 -0.42 0.00 0.00 0.00 0.00 46.02 43.51 2wni n GLY 376 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2wni s THR 377 N -0.09 4.74 -0.14 2.61 2.01 -1.26 -0.51 115.64 123.00 2wni s THR 377 Ca 0.00 1.08 -0.01 0.00 0.31 0.00 0.00 61.69 63.07 2wni s THR 377 Cb 0.00 -4.20 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2wni s THR 377 CO 0.00 -0.36 -0.11 -0.76 -0.69 0.00 0.00 174.62 172.69 2wni s LEU 378 N 3.09 2.77 -0.00 4.42 1.02 0.17 -4.45 118.68 125.71 2wni s LEU 378 Ca 0.33 -0.32 0.05 0.00 0.02 0.00 0.00 54.13 54.22 2wni s LEU 378 Cb -0.13 -1.64 -0.03 0.00 0.02 0.00 0.00 46.19 44.41 2wni s LEU 378 CO 0.15 0.15 -0.16 0.00 0.02 0.00 0.00 176.35 176.50 2wni n PRO 380 N 1.91 1.42 0.15 0.00 -0.02 -1.26 0.49 135.00 137.69 2wni n PRO 380 Ca -0.16 0.50 -0.13 0.00 -2.02 0.00 0.00 63.50 61.69 2wni n PRO 380 Cb 0.52 -2.00 -0.08 0.00 -0.02 0.00 0.00 33.50 31.92 2wni n PRO 380 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2wni h PHE 381 N 3.13 -0.37 -0.50 6.00 3.57 -1.61 -0.98 116.94 126.18 2wni h PHE 381 Ca -0.43 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 2wni h PHE 381 Cb 1.33 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.17 2wni h PHE 381 CO 0.53 -0.05 0.04 0.37 -2.23 0.00 0.00 178.31 176.97 2wni h GLN 382 N -0.71 0.86 -0.34 1.11 5.75 -1.87 0.11 115.11 120.01 2wni h GLN 382 Ca -0.04 -0.25 -0.07 0.00 -0.15 0.00 0.00 58.65 58.14 2wni h GLN 382 Cb 0.48 -0.09 -0.02 0.00 1.07 0.00 0.00 27.48 28.93 2wni h GLN 382 CO 0.07 0.87 -0.09 0.00 -2.65 0.00 0.00 178.83 177.03 2wni h ALA 383 N 0.95 1.21 -0.18 3.38 0.00 -1.92 -1.23 119.26 121.47 2wni h ALA 383 Ca 0.15 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.75 2wni h ALA 383 Cb 0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2wni h ALA 383 CO 0.02 0.51 -0.03 0.00 0.00 0.00 0.00 179.25 179.75 2wni h ALA 384 N 1.37 0.25 -0.66 0.00 0.00 -0.28 -0.40 119.26 119.53 2wni h ALA 384 Ca 0.10 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2wni h ALA 384 Cb 0.48 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 2wni h ALA 384 CO 0.03 -0.00 0.43 0.82 0.00 0.00 0.00 179.25 180.52 2wni h ILE 385 N 0.06 1.18 -0.35 0.00 1.08 -0.58 0.13 117.51 119.04 2wni h ILE 385 Ca 0.05 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.18 2wni h ILE 385 Cb 0.45 0.21 -0.02 0.00 -3.07 0.00 0.00 36.82 34.40 2wni h ILE 385 CO 0.01 0.17 0.23 0.74 -0.69 0.00 0.00 178.15 178.62 2wni h THR 386 N 0.90 1.09 -0.36 -0.27 2.02 -1.21 -2.23 112.91 112.84 2wni h THR 386 Ca 0.24 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.24 2wni h THR 386 Cb -0.09 0.58 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 2wni h THR 386 CO -0.05 0.09 0.17 0.00 0.37 0.00 0.00 175.52 176.10 2wni h ALA 387 N 1.13 0.47 0.00 6.16 0.00 -0.26 -2.72 119.26 124.03 2wni h ALA 387 Ca 0.13 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2wni h ALA 387 Cb -0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2wni h ALA 387 CO -0.03 0.03 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 2wni h LEU 388 N 0.45 0.00 0.00 0.00 3.38 -0.65 -2.95 115.31 115.54 2wni h LEU 388 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wni h LEU 388 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wni h LEU 388 CO -0.02 0.00 -1.73 0.61 0.09 0.00 0.00 178.44 177.39 2wni n GLY 389 N -0.05 -1.00 0.45 0.83 0.00 -0.85 -4.39 105.19 100.18 2wni n GLY 389 Ca 0.01 -0.54 0.31 0.00 0.00 0.00 0.00 46.02 45.81 2wni n GLY 389 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 2wni h GLN 390 N 0.00 0.20 -0.03 1.61 4.15 -1.30 -0.99 115.11 118.75 2wni h GLN 390 Ca 0.00 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2wni h GLN 390 Cb 0.87 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.51 2wni h GLN 390 CO 0.00 0.13 -0.07 0.54 -1.93 0.00 0.00 178.83 177.50 2wni n ARG 391 N -4.62 2.06 -1.90 1.69 1.74 -1.26 -4.93 116.66 109.43 2wni n ARG 391 Ca 0.32 -1.74 -0.41 0.00 -0.77 0.00 0.00 57.85 55.25 2wni n ARG 391 Cb 1.20 -1.44 -0.01 0.00 -1.02 0.00 0.00 32.46 31.18 2wni n ARG 391 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2wni s ILE 392 N -2.00 2.28 -0.46 0.55 1.01 -0.38 -4.86 121.20 117.35 2wni s ILE 392 Ca 0.26 0.27 -0.15 0.00 0.00 0.00 0.00 60.65 61.03 2wni s ILE 392 Cb 0.19 -3.17 0.07 0.00 0.01 0.00 0.00 42.46 39.55 2wni s ILE 392 CO 0.33 0.06 0.37 -0.62 0.00 0.00 0.00 174.94 175.07 2wni s ASP 393 N -0.13 6.08 0.18 3.58 2.15 -1.26 -4.97 116.67 122.30 2wni s ASP 393 Ca 0.53 -1.28 -0.14 0.00 0.43 0.00 0.00 52.55 52.10 2wni s ASP 393 Cb -0.44 -2.16 0.18 0.00 -0.30 0.00 0.00 42.92 40.19 2wni s ASP 393 CO 0.57 -0.60 1.70 0.03 -0.17 0.00 0.00 175.17 176.70 2wni h ARG 394 N 8.70 0.18 0.00 4.34 2.47 -1.94 0.30 114.38 128.42 2wni h ARG 394 Ca -0.28 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 2wni h ARG 394 Cb 1.11 -0.04 0.00 0.00 -1.65 0.00 0.00 29.97 29.39 2wni h ARG 394 CO 0.84 0.12 0.00 -1.35 0.56 0.00 0.00 179.97 180.14 2wni h PRO 395 N 0.18 0.00 -0.62 0.04 0.11 -1.95 0.63 132.00 130.39 2wni h PRO 395 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 2wni h PRO 395 Cb 0.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.45 2wni h PRO 395 CO -0.35 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 177.87 2wni n SER 396 N -2.94 3.77 -3.11 -2.05 7.64 0.10 -4.42 113.62 112.60 2wni n SER 396 Ca -0.02 -2.28 -0.25 0.00 1.01 0.00 0.00 58.87 57.34 2wni n SER 396 Cb 0.14 -0.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.80 2wni n SER 396 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wni n ALA 397 N 0.96 3.83 -1.75 -0.43 0.00 0.21 -3.03 120.51 120.30 2wni n ALA 397 Ca 0.21 -4.35 -0.38 0.00 0.00 0.00 0.00 53.44 48.91 2wni n ALA 397 Cb 0.69 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 19.36 2wni n ALA 397 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wni s PRO 398 N -2.87 3.22 0.43 0.00 0.04 -1.26 -4.88 135.00 129.68 2wni s PRO 398 Ca 0.44 2.21 -0.26 0.00 0.04 0.00 0.00 61.00 63.43 2wni s PRO 398 Cb 0.26 -2.29 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 2wni s PRO 398 CO -0.10 -1.12 1.41 0.00 0.04 0.00 0.00 177.00 177.24 2wni n ALA 399 N -0.93 1.97 -2.63 8.56 0.00 -1.26 -4.91 120.51 121.30 2wni n ALA 399 Ca 0.10 0.28 -0.21 0.00 0.00 0.00 0.00 53.44 53.61 2wni n ALA 399 Cb 0.45 -2.37 -0.13 0.00 0.00 0.00 0.00 19.45 17.39 2wni n ALA 399 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 2wni s VAL 400 N -1.17 1.22 -0.25 0.00 -7.23 -1.26 -5.09 120.40 106.62 2wni s VAL 400 Ca 0.59 -1.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.37 2wni s VAL 400 Cb -0.47 -1.11 -0.01 0.00 0.56 0.00 0.00 36.38 35.36 2wni s VAL 400 CO 0.59 -0.01 1.30 0.00 -0.31 0.00 0.00 175.10 176.67 2wni s ALA 401 N -0.93 3.47 0.41 1.32 0.00 -1.26 -4.85 121.76 119.92 2wni s ALA 401 Ca 0.02 0.25 0.13 0.00 0.00 0.00 0.00 51.96 52.36 2wni s ALA 401 Cb -0.08 -3.72 0.88 0.00 0.00 0.00 0.00 23.12 20.19 2wni s ALA 401 CO 0.02 -1.56 1.92 1.98 0.00 0.00 0.00 175.76 178.12 2wni h MET 402 N 8.95 0.02 -5.80 0.00 4.05 -1.99 -3.40 114.93 116.77 2wni h MET 402 Ca -0.26 -0.01 -0.59 0.00 -0.28 0.00 0.00 59.70 58.56 2wni h MET 402 Cb 1.10 -0.00 -0.09 0.00 -0.80 0.00 0.00 31.60 31.81 2wni h MET 402 CO 1.01 0.27 0.45 0.08 0.23 0.00 0.00 176.91 178.95 2wni s VAL 403 N -4.48 4.85 0.67 -5.77 1.01 -1.26 -4.98 120.40 110.44 2wni s VAL 403 Ca -0.04 1.56 -0.11 0.00 0.00 0.00 0.00 61.98 63.39 2wni s VAL 403 Cb 0.15 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2wni s VAL 403 CO 0.71 -0.06 1.06 -0.76 0.00 0.00 0.00 175.10 176.05 2wni s LEU 404 N 2.73 3.09 0.98 3.92 1.43 -1.26 -5.08 118.68 124.50 2wni s LEU 404 Ca 0.35 1.42 -0.12 0.00 -1.03 0.00 0.00 54.13 54.74 2wni s LEU 404 Cb -0.15 -4.33 0.18 0.00 0.03 0.00 0.00 46.19 41.91 2wni s LEU 404 CO 0.08 -1.21 1.09 -2.16 0.23 0.00 0.00 176.35 174.37 2wni s PRO 405 N -5.17 0.53 0.00 1.29 0.04 -1.26 -5.07 135.00 125.36 2wni s PRO 405 Ca 0.57 0.66 0.00 0.00 0.04 0.00 0.00 61.00 62.27 2wni s PRO 405 Cb -0.12 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.68 2wni s PRO 405 CO 0.54 -2.69 0.00 0.36 0.04 0.00 0.00 177.00 175.25