#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w3r s VAL 3 N 0.00 2.32 0.00 2.46 1.01 -1.22 -2.57 120.40 122.40 2w3r s VAL 3 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 61.98 62.23 2w3r s VAL 3 Cb 0.00 -3.16 0.00 0.00 0.00 0.00 0.00 36.38 33.22 2w3r s VAL 3 CO 0.00 0.03 0.00 0.61 0.00 0.00 0.00 175.10 175.74 2w3r n GLY 4 N 2.83 3.36 3.75 4.51 0.00 0.16 -5.05 105.19 114.75 2w3r n GLY 4 Ca 0.10 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.72 2w3r n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3r s LYS 5 N -0.93 4.52 -1.44 1.61 1.02 -1.06 -4.49 119.74 118.97 2w3r s LYS 5 Ca 0.00 1.92 -0.14 0.00 0.02 0.00 0.00 55.97 57.78 2w3r s LYS 5 Cb 0.00 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.18 2w3r s LYS 5 CO 0.00 0.01 2.18 -0.35 -0.92 0.00 0.00 175.35 176.26 2w3r n PRO 6 N 1.65 2.94 -3.12 -1.68 -0.04 -1.26 -4.40 135.00 129.09 2w3r n PRO 6 Ca 0.01 -2.71 -0.30 0.00 -0.04 0.00 0.00 63.50 60.46 2w3r n PRO 6 Cb 0.44 -3.26 -0.03 0.00 -0.04 0.00 0.00 33.50 30.60 2w3r n PRO 6 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2w3r s LEU 7 N 2.04 3.96 0.90 1.53 1.43 -1.26 -4.78 118.68 122.50 2w3r s LEU 7 Ca 0.47 0.93 -0.12 0.00 -1.03 0.00 0.00 54.13 54.38 2w3r s LEU 7 Cb 0.13 -3.77 0.13 0.00 0.03 0.00 0.00 46.19 42.71 2w3r s LEU 7 CO -0.08 -0.28 1.10 -2.16 0.23 0.00 0.00 176.35 175.17 2w3r s PRO 8 N -3.63 1.25 0.42 1.29 0.04 -1.26 -4.66 135.00 128.45 2w3r s PRO 8 Ca 0.48 0.61 -0.26 0.00 0.04 0.00 0.00 61.00 61.86 2w3r s PRO 8 Cb -0.11 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.51 2w3r s PRO 8 CO 0.30 -2.19 1.44 1.58 0.04 0.00 0.00 177.00 178.16 2w3r n HIS 9 N -3.82 2.76 0.04 0.56 -0.00 -1.26 -4.90 115.22 108.61 2w3r n HIS 9 Ca 0.06 0.45 0.17 0.00 -0.00 0.00 0.00 57.72 58.40 2w3r n HIS 9 Cb 0.57 -2.48 0.66 0.00 -0.00 0.00 0.00 29.99 28.74 2w3r n HIS 9 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.34 176.72 2w3r h ASP 10 N 2.53 0.04 -0.11 0.26 2.03 -1.94 -1.89 116.42 117.33 2w3r h ASP 10 Ca -0.50 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.80 2w3r h ASP 10 Cb 1.26 -0.01 0.00 0.00 -0.83 0.00 0.00 39.33 39.75 2w3r h ASP 10 CO 0.62 0.02 0.00 -1.20 -1.03 0.00 0.00 179.24 177.65 2w3r n SER 11 N -4.42 2.94 -0.14 4.15 7.64 -1.26 -4.80 113.62 117.73 2w3r n SER 11 Ca 0.07 -2.96 -0.04 0.00 1.01 0.00 0.00 58.87 56.96 2w3r n SER 11 Cb 0.48 -0.44 0.03 0.00 -1.01 0.00 0.00 64.21 63.27 2w3r n SER 11 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2w3r h ALA 12 N 0.76 0.31 -0.20 -0.43 0.00 -1.71 0.28 119.26 118.28 2w3r h ALA 12 Ca 0.00 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2w3r h ALA 12 Cb 1.13 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2w3r h ALA 12 CO 0.08 -0.44 0.08 -0.09 0.00 0.00 0.00 179.25 178.89 2w3r h ARG 13 N 0.02 0.30 -0.97 0.00 2.43 -1.87 -1.50 114.38 112.79 2w3r h ARG 13 Ca 0.21 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2w3r h ARG 13 Cb 0.33 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 29.77 2w3r h ARG 13 CO -0.44 0.36 0.63 0.00 -1.51 0.00 0.00 179.97 179.01 2w3r h ALA 14 N 0.92 1.41 0.56 2.80 0.00 -1.72 0.21 119.26 123.44 2w3r h ALA 14 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2w3r h ALA 14 Cb 0.18 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 2w3r h ALA 14 CO -0.01 0.47 -0.47 0.45 0.00 0.00 0.00 179.25 179.69 2w3r h HIS 15 N 1.17 -1.29 -0.51 0.00 3.86 -0.28 0.15 115.15 118.25 2w3r h HIS 15 Ca 0.40 0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.63 2w3r h HIS 15 Cb 0.10 0.49 -0.03 0.00 1.06 0.00 0.00 27.41 29.04 2w3r h HIS 15 CO -0.00 -0.66 0.34 0.28 0.86 0.00 0.00 177.93 178.75 2w3r h VAL 16 N -1.01 1.10 0.00 2.45 2.07 -0.17 -0.32 116.25 120.37 2w3r h VAL 16 Ca -0.07 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.23 2w3r h VAL 16 Cb 0.86 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2w3r h VAL 16 CO -0.01 0.12 -0.30 0.35 0.02 0.00 0.00 177.57 177.74 2w3r n THR 17 N -4.46 0.18 -1.63 2.57 -2.24 0.61 -4.95 114.28 104.36 2w3r n THR 17 Ca 0.05 -0.11 -0.04 0.00 -2.27 0.00 0.00 64.05 61.67 2w3r n THR 17 Cb 0.08 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.10 2w3r n THR 17 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w3r n GLY 18 N 1.43 0.44 0.01 3.38 0.00 -0.13 -4.94 105.19 105.37 2w3r n GLY 18 Ca 0.05 -0.78 0.10 0.00 0.00 0.00 0.00 46.02 45.40 2w3r n GLY 18 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2w3r n GLN 19 N -2.11 0.29 -1.88 1.61 6.02 0.42 -4.92 117.38 116.80 2w3r n GLN 19 Ca -0.05 -0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.44 2w3r n GLN 19 Cb 0.35 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 30.07 2w3r n GLN 19 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2w3r s ALA 20 N -3.22 3.78 -0.07 -1.58 0.00 -0.67 -4.99 121.76 115.00 2w3r s ALA 20 Ca 0.01 1.37 -0.11 0.00 0.00 0.00 0.00 51.96 53.24 2w3r s ALA 20 Cb 0.15 -3.66 -0.05 0.00 0.00 0.00 0.00 23.12 19.56 2w3r s ALA 20 CO 0.88 -0.91 0.26 1.03 0.00 0.00 0.00 175.76 177.02 2w3r s ARG 21 N 1.62 3.68 0.42 0.00 0.52 -1.26 -4.95 118.95 118.98 2w3r s ARG 21 Ca 0.73 0.11 0.04 0.00 -0.52 0.00 0.00 55.73 56.09 2w3r s ARG 21 Cb -0.44 -3.21 -0.05 0.00 0.52 0.00 0.00 34.95 31.77 2w3r s ARG 21 CO 0.32 0.72 0.04 0.71 0.02 0.00 0.00 175.30 177.10 2w3r s TYR 22 N -0.98 2.10 0.18 -0.53 1.51 -1.26 -4.68 117.35 113.69 2w3r s TYR 22 Ca 0.19 -0.91 -0.23 0.00 -1.01 0.00 0.00 57.07 55.11 2w3r s TYR 22 Cb -0.14 -1.52 0.09 0.00 -0.11 0.00 0.00 41.96 40.28 2w3r s TYR 22 CO 0.08 0.17 1.58 1.25 -1.11 0.00 0.00 175.55 177.52 2w3r h LEU 23 N 1.74 -1.32 -1.54 -1.29 5.85 -1.94 0.26 115.31 117.07 2w3r h LEU 23 Ca -0.42 0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.54 2w3r h LEU 23 Cb 1.27 0.63 0.00 0.00 0.37 0.00 0.00 40.66 42.93 2w3r h LEU 23 CO 0.73 -0.32 0.00 -0.78 -0.34 0.00 0.00 178.44 177.73 2w3r h ASP 24 N -0.18 0.00 0.59 1.25 -0.00 -1.97 -2.09 116.42 114.02 2w3r h ASP 24 Ca 0.22 0.00 -0.08 0.00 -0.00 0.00 0.00 57.03 57.16 2w3r h ASP 24 Cb 0.56 0.00 -0.01 0.00 -0.00 0.00 0.00 39.33 39.88 2w3r h ASP 24 CO -0.70 0.00 -0.39 0.44 -0.00 0.00 0.00 179.24 178.58 2w3r h ASP 25 N 0.00 0.00 -3.95 2.28 3.32 -0.87 -3.46 116.42 113.74 2w3r h ASP 25 Ca 0.00 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.52 2w3r h ASP 25 Cb 0.41 0.00 0.09 0.00 0.22 0.00 0.00 39.33 40.05 2w3r h ASP 25 CO 0.00 0.39 0.67 -0.76 -1.72 0.00 0.00 179.24 177.83 2w3r s LEU 26 N -7.57 4.24 0.56 1.55 1.43 -0.79 -4.92 118.68 113.19 2w3r s LEU 26 Ca -0.01 2.81 -0.15 0.00 -1.03 0.00 0.00 54.13 55.75 2w3r s LEU 26 Cb 0.13 -3.82 -0.06 0.00 0.03 0.00 0.00 46.19 42.46 2w3r s LEU 26 CO 0.70 -0.89 1.01 -2.16 0.23 0.00 0.00 176.35 175.24 2w3r s PRO 27 N -2.20 3.73 -0.03 1.29 0.04 -1.26 -5.07 135.00 131.50 2w3r s PRO 27 Ca 0.56 0.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.26 2w3r s PRO 27 Cb -0.41 -2.10 0.10 0.00 0.04 0.00 0.00 34.50 32.13 2w3r s PRO 27 CO 0.54 -0.46 0.89 0.00 0.04 0.00 0.00 177.00 178.02 2w3r n PRO 29 N -0.00 0.83 0.00 0.00 -0.02 -1.26 -4.82 135.00 129.73 2w3r n PRO 29 Ca -0.10 0.30 0.02 0.00 -2.02 0.00 0.00 63.50 61.70 2w3r n PRO 29 Cb 0.61 -1.68 0.09 0.00 -0.02 0.00 0.00 33.50 32.50 2w3r n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2w3r n ALA 30 N -0.65 1.37 -0.22 3.55 0.00 -1.26 -0.97 120.51 122.33 2w3r n ALA 30 Ca 0.11 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.65 2w3r n ALA 30 Cb 0.38 -1.06 0.30 0.00 0.00 0.00 0.00 19.45 19.07 2w3r n ALA 30 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2w3r n ASN 31 N -1.28 3.83 -4.68 0.00 6.94 -1.26 -4.97 115.26 113.84 2w3r n ASN 31 Ca 0.02 -2.00 -0.46 0.00 -0.02 0.00 0.00 54.58 52.12 2w3r n ASN 31 Cb 0.03 -0.43 -0.04 0.00 -2.36 0.00 0.00 39.78 36.97 2w3r n ASN 31 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 2w3r n THR 32 N 1.59 0.32 -2.76 5.53 -1.04 -0.14 -4.43 114.28 113.35 2w3r n THR 32 Ca 0.23 -0.06 -0.24 0.00 -2.04 0.00 0.00 64.05 61.95 2w3r n THR 32 Cb 0.61 -1.80 0.02 0.00 -1.82 0.00 0.00 70.33 67.34 2w3r n THR 32 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2w3r s LEU 33 N 2.61 3.46 -0.02 -4.42 1.43 0.77 -4.85 118.68 117.65 2w3r s LEU 33 Ca 0.85 0.36 0.03 0.00 -1.03 0.00 0.00 54.13 54.35 2w3r s LEU 33 Cb -0.64 -3.22 -0.00 0.00 0.03 0.00 0.00 46.19 42.35 2w3r s LEU 33 CO 0.43 -0.88 -0.12 -1.00 0.23 0.00 0.00 176.35 175.01 2w3r s HIS 34 N -2.72 1.16 0.13 0.29 3.76 0.10 -1.10 115.29 116.92 2w3r s HIS 34 Ca 0.51 -0.27 0.06 0.00 -0.15 0.00 0.00 55.06 55.21 2w3r s HIS 34 Cb -0.10 -0.79 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 2w3r s HIS 34 CO 0.40 -0.08 0.01 -0.51 -0.85 0.00 0.00 174.74 173.71 2w3r s LEU 35 N -0.02 3.42 -0.17 0.89 1.43 -0.67 -1.39 118.68 122.16 2w3r s LEU 35 Ca -0.00 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 2w3r s LEU 35 Cb -0.08 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.09 2w3r s LEU 35 CO 0.00 0.13 0.45 0.00 0.23 0.00 0.00 176.35 177.16 2w3r s ALA 36 N -1.53 -1.12 0.02 4.21 0.00 -0.97 -4.53 121.76 117.84 2w3r s ALA 36 Ca 0.27 1.42 -0.26 0.00 0.00 0.00 0.00 51.96 53.39 2w3r s ALA 36 Cb -0.10 -0.84 -0.05 0.00 0.00 0.00 0.00 23.12 22.13 2w3r s ALA 36 CO 0.19 -0.24 0.80 -0.06 0.00 0.00 0.00 175.76 176.44 2w3r s PHE 37 N 0.75 3.69 -0.38 0.00 2.99 -1.26 -0.87 117.98 122.90 2w3r s PHE 37 Ca -0.04 1.48 -0.25 0.00 0.00 0.00 0.00 56.93 58.12 2w3r s PHE 37 Cb -0.05 -2.88 0.01 0.00 0.00 0.00 0.00 43.02 40.10 2w3r s PHE 37 CO -0.05 0.18 0.87 0.20 -0.00 0.00 0.00 175.22 176.41 2w3r s GLY 38 N 0.30 1.59 0.23 4.36 0.00 0.36 -4.91 107.32 109.25 2w3r s GLY 38 Ca 0.41 -0.59 -0.02 0.00 0.00 0.00 0.00 44.72 44.52 2w3r s GLY 38 CO 0.23 1.91 0.44 1.08 0.00 0.00 0.00 173.10 176.76 2w3r s LEU 39 N 3.36 4.18 0.30 0.66 1.43 -1.26 0.35 118.68 127.69 2w3r s LEU 39 Ca 0.35 0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 53.67 2w3r s LEU 39 Cb -0.12 -3.29 -0.10 0.00 0.03 0.00 0.00 46.19 42.71 2w3r s LEU 39 CO 0.19 -0.09 1.26 -0.55 0.23 0.00 0.00 176.35 177.40 2w3r s SER 40 N -3.11 6.90 0.00 2.29 0.15 0.37 -4.81 113.70 115.48 2w3r s SER 40 Ca 0.40 2.55 0.20 0.00 0.70 0.00 0.00 55.95 59.80 2w3r s SER 40 Cb -0.11 -2.64 0.35 0.00 -1.71 0.00 0.00 66.02 61.91 2w3r s SER 40 CO 0.29 -0.45 1.29 0.35 1.20 0.00 0.00 173.24 175.92 2w3r n THR 41 N 1.21 0.49 -4.35 6.45 -2.24 -1.26 0.09 114.28 114.67 2w3r n THR 41 Ca 0.01 -0.74 -0.27 0.00 -2.27 0.00 0.00 64.05 60.78 2w3r n THR 41 Cb 0.43 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.50 2w3r n THR 41 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2w3r s GLU 42 N -1.34 1.30 0.05 -0.78 0.41 -1.26 -4.86 118.70 112.21 2w3r s GLU 42 Ca 0.32 -1.29 0.15 0.00 -0.41 0.00 0.00 54.97 53.74 2w3r s GLU 42 Cb 0.19 -1.68 -0.15 0.00 -1.78 0.00 0.00 34.13 30.71 2w3r s GLU 42 CO 0.27 0.39 0.85 0.00 -0.49 0.00 0.00 175.26 176.28 2w3r h ALA 43 N 3.89 0.67 -0.76 5.21 0.00 -1.84 -2.83 119.26 123.60 2w3r h ALA 43 Ca -0.49 -1.01 0.09 0.00 0.00 0.00 0.00 54.91 53.51 2w3r h ALA 43 Cb 1.18 0.29 -0.20 0.00 0.00 0.00 0.00 17.79 19.05 2w3r h ALA 43 CO 0.40 1.12 -0.26 0.45 0.00 0.00 0.00 179.25 180.97 2w3r s SER 44 N -5.99 -1.24 0.02 0.00 0.15 -1.25 -2.49 113.70 102.90 2w3r s SER 44 Ca -0.03 0.18 -0.22 0.00 0.70 0.00 0.00 55.95 56.59 2w3r s SER 44 Cb 0.08 1.80 0.05 0.00 -1.71 0.00 0.00 66.02 66.24 2w3r s SER 44 CO 0.81 -0.23 0.49 0.00 1.20 0.00 0.00 173.24 175.51 2w3r s ALA 45 N 2.87 -1.24 0.40 5.45 0.00 -1.10 0.50 121.76 128.65 2w3r s ALA 45 Ca 0.16 0.61 -0.17 0.00 0.00 0.00 0.00 51.96 52.55 2w3r s ALA 45 Cb -0.08 0.27 -0.09 0.00 0.00 0.00 0.00 23.12 23.22 2w3r s ALA 45 CO -0.25 -0.43 0.86 0.00 0.00 0.00 0.00 175.76 175.94 2w3r s ALA 46 N -2.08 3.18 -0.42 0.00 0.00 -0.90 -1.02 121.76 120.51 2w3r s ALA 46 Ca -0.07 0.16 -0.17 0.00 0.00 0.00 0.00 51.96 51.87 2w3r s ALA 46 Cb -0.01 -2.96 0.02 0.00 0.00 0.00 0.00 23.12 20.18 2w3r s ALA 46 CO 0.01 0.12 0.44 0.42 0.00 0.00 0.00 175.76 176.75 2w3r s ILE 47 N -2.21 5.08 0.07 0.00 1.01 0.18 -0.34 121.20 124.98 2w3r s ILE 47 Ca 0.57 -0.36 -0.12 0.00 0.00 0.00 0.00 60.65 60.75 2w3r s ILE 47 Cb -0.10 -4.05 -0.28 0.00 0.01 0.00 0.00 42.46 38.04 2w3r s ILE 47 CO 0.20 -0.44 1.13 0.74 0.00 0.00 0.00 174.94 176.57 2w3r h THR 48 N 5.74 1.34 -2.91 2.92 2.02 -0.64 -3.47 112.91 117.90 2w3r h THR 48 Ca -0.26 -2.59 -0.12 0.00 0.77 0.00 0.00 66.41 64.21 2w3r h THR 48 Cb 1.11 2.73 -0.22 0.00 -1.74 0.00 0.00 68.15 70.03 2w3r h THR 48 CO 0.80 0.78 -0.26 -0.83 0.37 0.00 0.00 175.52 176.38 2w3r s GLY 49 N -4.49 -0.22 -0.35 2.16 0.00 -1.08 -4.96 107.32 98.37 2w3r s GLY 49 Ca -0.08 0.67 -0.01 0.00 0.00 0.00 0.00 44.72 45.30 2w3r s GLY 49 CO 0.92 0.48 0.19 -2.27 0.00 0.00 0.00 173.10 172.42 2w3r s LEU 50 N -0.70 1.17 -0.34 0.66 2.96 -1.26 -1.04 118.68 120.14 2w3r s LEU 50 Ca -0.08 -2.04 -0.18 0.00 -0.22 0.00 0.00 54.13 51.61 2w3r s LEU 50 Cb -0.04 -0.49 -0.01 0.00 0.50 0.00 0.00 46.19 46.15 2w3r s LEU 50 CO 0.03 -0.33 0.53 -0.62 -1.32 0.00 0.00 176.35 174.63 2w3r s ASP 51 N 1.21 6.35 -0.32 3.68 2.15 -0.15 -4.94 116.67 124.65 2w3r s ASP 51 Ca 0.16 0.09 0.08 0.00 0.43 0.00 0.00 52.55 53.30 2w3r s ASP 51 Cb -0.22 -2.28 0.48 0.00 -0.30 0.00 0.00 42.92 40.61 2w3r s ASP 51 CO -0.08 -0.46 1.42 0.18 -0.17 0.00 0.00 175.17 176.06 2w3r n LEU 52 N 5.75 4.45 -0.03 -1.34 4.77 -1.26 -1.29 117.00 128.04 2w3r n LEU 52 Ca -0.04 -4.08 -0.15 0.00 -0.03 0.00 0.00 56.01 51.71 2w3r n LEU 52 Cb 0.49 -0.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.88 2w3r n LEU 52 CO 0.45 1.51 0.44 -0.08 -1.33 0.00 0.00 177.39 178.38 2w3r h GLU 53 N 1.37 0.12 0.00 3.23 4.57 -1.92 -2.89 114.58 119.05 2w3r h GLU 53 Ca 0.26 -0.12 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2w3r h GLU 53 Cb 1.46 0.03 0.00 0.00 -0.16 0.00 0.00 28.75 30.09 2w3r h GLU 53 CO 0.53 0.86 0.00 -2.30 -1.18 0.00 0.00 179.01 176.92 2w3r n PRO 54 N -4.59 0.15 0.15 0.92 -0.02 -1.26 -2.03 135.00 128.33 2w3r n PRO 54 Ca -0.09 0.26 -0.10 0.00 -2.02 0.00 0.00 63.50 61.55 2w3r n PRO 54 Cb 0.45 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.14 2w3r n PRO 54 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2w3r h VAL 55 N 0.00 0.34 -0.52 -1.45 2.07 -1.70 -2.46 116.25 112.53 2w3r h VAL 55 Ca 0.00 -0.75 0.08 0.00 0.82 0.00 0.00 66.70 66.85 2w3r h VAL 55 Cb 0.49 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 2w3r h VAL 55 CO 0.00 0.08 0.35 0.03 0.02 0.00 0.00 177.57 178.05 2w3r h ARG 56 N -1.02 0.35 -0.02 1.57 3.08 -1.43 -1.85 114.38 115.07 2w3r h ARG 56 Ca -0.05 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.98 2w3r h ARG 56 Cb 0.48 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.45 2w3r h ARG 56 CO 0.08 0.23 -0.04 0.39 -1.07 0.00 0.00 179.97 179.56 2w3r n GLU 57 N -4.47 1.69 -2.31 0.04 1.02 -0.86 -4.73 120.64 111.02 2w3r n GLU 57 Ca 0.08 -1.08 -0.39 0.00 -0.02 0.00 0.00 57.16 55.74 2w3r n GLU 57 Cb 0.33 -1.48 -0.03 0.00 -0.02 0.00 0.00 31.44 30.24 2w3r n GLU 57 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2w3r s SER 58 N -2.06 6.80 0.33 1.62 0.15 -0.70 -4.95 113.70 114.90 2w3r s SER 58 Ca 0.35 2.40 -0.27 0.00 0.70 0.00 0.00 55.95 59.13 2w3r s SER 58 Cb 0.21 -2.63 -0.13 0.00 -1.71 0.00 0.00 66.02 61.76 2w3r s SER 58 CO 0.35 -0.49 1.00 -2.65 1.20 0.00 0.00 173.24 172.65 2w3r n PRO 59 N 0.56 1.35 -2.26 5.44 -0.02 -1.26 -2.96 135.00 135.85 2w3r n PRO 59 Ca 0.02 0.48 -0.21 0.00 -2.02 0.00 0.00 63.50 61.76 2w3r n PRO 59 Cb 0.45 -1.90 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2w3r n PRO 59 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2w3r n GLY 60 N 1.22 -0.05 3.73 -1.23 0.00 -1.26 -4.88 105.19 102.72 2w3r n GLY 60 Ca 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.75 2w3r n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2w3r s VAL 61 N -2.99 5.29 -0.23 1.61 1.01 -1.15 -0.44 120.40 123.49 2w3r s VAL 61 Ca 0.00 0.61 0.00 0.00 0.00 0.00 0.00 61.98 62.59 2w3r s VAL 61 Cb 0.00 -3.66 -0.15 0.00 0.00 0.00 0.00 36.38 32.57 2w3r s VAL 61 CO 0.00 0.38 -0.22 -0.38 0.00 0.00 0.00 175.10 174.88 2w3r n ILE 62 N 3.61 1.33 -3.81 2.22 2.08 0.12 -4.96 119.36 119.95 2w3r n ILE 62 Ca -0.11 -0.49 -0.11 0.00 0.56 0.00 0.00 62.75 62.60 2w3r n ILE 62 Cb 0.52 -1.38 -0.08 0.00 -0.75 0.00 0.00 39.64 37.95 2w3r n ILE 62 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2w3r s ALA 63 N -2.46 -0.50 -0.05 -1.39 0.00 -0.76 -5.01 121.76 111.60 2w3r s ALA 63 Ca -0.32 -0.10 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2w3r s ALA 63 Cb 0.09 0.23 0.02 0.00 0.00 0.00 0.00 23.12 23.46 2w3r s ALA 63 CO 0.52 -0.34 -0.04 0.08 0.00 0.00 0.00 175.76 175.99 2w3r s VAL 64 N -2.20 0.51 0.24 0.00 1.01 -1.26 0.47 120.40 119.17 2w3r s VAL 64 Ca -0.08 -0.07 0.10 0.00 0.00 0.00 0.00 61.98 61.93 2w3r s VAL 64 Cb -0.03 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.74 2w3r s VAL 64 CO -0.02 0.24 -0.07 -0.36 0.00 0.00 0.00 175.10 174.89 2w3r s PHE 65 N 1.17 2.61 0.09 5.22 0.40 0.10 -4.97 117.98 122.60 2w3r s PHE 65 Ca -0.07 -0.24 -0.09 0.00 -0.60 0.00 0.00 56.93 55.93 2w3r s PHE 65 Cb -0.14 -1.19 -0.00 0.00 0.51 0.00 0.00 43.02 42.20 2w3r s PHE 65 CO -0.01 0.60 0.19 0.99 0.70 0.00 0.00 175.22 177.69 2w3r s THR 66 N -2.15 0.14 0.47 0.64 2.01 -1.26 -1.94 115.64 113.55 2w3r s THR 66 Ca 0.29 -1.16 0.33 0.00 0.31 0.00 0.00 61.69 61.46 2w3r s THR 66 Cb -0.07 -1.33 0.53 0.00 0.01 0.00 0.00 72.50 71.64 2w3r s THR 66 CO 0.17 -0.64 1.65 0.00 -0.69 0.00 0.00 174.62 175.12 2w3r h ALA 67 N 2.76 2.92 -0.50 7.40 0.00 -1.78 0.46 119.26 130.52 2w3r h ALA 67 Ca -0.34 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 2w3r h ALA 67 Cb 1.20 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2w3r h ALA 67 CO 0.56 -1.47 0.04 0.00 0.00 0.00 0.00 179.25 178.37 2w3r h ALA 68 N 1.48 0.67 0.00 0.00 0.00 -1.96 -3.22 119.26 116.23 2w3r h ALA 68 Ca 0.78 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.43 2w3r h ALA 68 Cb 2.62 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 20.22 2w3r h ALA 68 CO -0.29 0.44 0.00 -0.25 0.00 0.00 0.00 179.25 179.16 2w3r n ASP 69 N -4.36 0.00 -4.68 0.00 8.00 0.16 -4.75 116.55 110.92 2w3r n ASP 69 Ca 0.01 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 2w3r n ASP 69 Cb 0.29 -0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.25 2w3r n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2w3r s LEU 70 N -2.22 4.28 0.29 0.64 1.43 -1.20 -4.92 118.68 116.97 2w3r s LEU 70 Ca 0.30 1.89 0.02 0.00 -1.03 0.00 0.00 54.13 55.32 2w3r s LEU 70 Cb 0.16 -3.56 0.44 0.00 0.03 0.00 0.00 46.19 43.27 2w3r s LEU 70 CO 0.31 -0.66 1.77 1.55 0.23 0.00 0.00 176.35 179.55 2w3r h PRO 71 N 7.73 0.57 0.00 1.29 0.13 -1.85 -3.46 132.00 136.40 2w3r h PRO 71 Ca -0.34 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2w3r h PRO 71 Cb 1.16 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.23 2w3r h PRO 71 CO 0.90 0.68 0.00 0.72 -0.23 0.00 0.00 178.00 180.08 2w3r n HIS 72 N -4.19 0.00 -1.64 1.56 8.25 -1.26 -5.01 115.22 112.93 2w3r n HIS 72 Ca 0.01 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 2w3r n HIS 72 Cb 0.33 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.49 2w3r n HIS 72 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2w3r n ASP 73 N 0.00 1.23 -2.57 0.41 9.92 -1.10 -4.97 116.55 119.47 2w3r n ASP 73 Ca 0.00 0.88 -0.20 0.00 -0.53 0.00 0.00 54.79 54.93 2w3r n ASP 73 Cb 0.00 -1.42 0.01 0.00 -0.64 0.00 0.00 41.12 39.07 2w3r n ASP 73 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2w3r n ASN 74 N -0.62 3.47 -4.07 -2.24 5.15 -1.26 -4.62 115.26 111.07 2w3r n ASN 74 Ca 0.12 -3.35 -0.23 0.00 -0.60 0.00 0.00 54.58 50.53 2w3r n ASN 74 Cb 0.45 -0.49 -0.16 0.00 -0.53 0.00 0.00 39.78 39.06 2w3r n ASN 74 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 2w3r s ASP 75 N -3.37 1.62 0.00 1.20 2.15 -1.26 -3.10 116.67 113.91 2w3r s ASP 75 Ca 0.40 -0.26 0.00 0.00 0.43 0.00 0.00 52.55 53.13 2w3r s ASP 75 Cb 0.42 -0.39 0.00 0.00 -0.30 0.00 0.00 42.92 42.64 2w3r s ASP 75 CO -0.10 0.11 0.65 0.00 -0.17 0.00 0.00 175.17 175.66 2w3r n ALA 76 N 3.14 1.33 -2.27 3.66 0.00 -0.63 -4.87 120.51 120.87 2w3r n ALA 76 Ca -0.17 -0.65 -0.40 0.00 0.00 0.00 0.00 53.44 52.22 2w3r n ALA 76 Cb 0.54 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.94 2w3r n ALA 76 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2w3r s SER 77 N -0.33 7.31 0.47 0.00 0.15 -1.26 -4.80 113.70 115.24 2w3r s SER 77 Ca 0.00 1.56 0.26 0.00 0.70 0.00 0.00 55.95 58.47 2w3r s SER 77 Cb 0.00 -2.50 1.12 0.00 -1.71 0.00 0.00 66.02 62.93 2w3r s SER 77 CO 0.00 0.05 1.91 1.55 1.20 0.00 0.00 173.24 177.95 2w3r h PRO 78 N 5.34 0.00 -7.15 5.44 0.13 -1.90 -3.44 132.00 130.42 2w3r h PRO 78 Ca -0.44 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.20 2w3r h PRO 78 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 2w3r h PRO 78 CO 0.70 0.18 0.33 0.00 -0.23 0.00 0.00 178.00 178.98 2w3r s ALA 79 N -3.80 3.13 0.44 -0.56 0.00 -1.24 -4.98 121.76 114.75 2w3r s ALA 79 Ca -0.00 0.05 0.18 0.00 0.00 0.00 0.00 51.96 52.18 2w3r s ALA 79 Cb 0.11 -3.02 1.11 0.00 0.00 0.00 0.00 23.12 21.32 2w3r s ALA 79 CO 0.61 -0.27 1.91 -1.35 0.00 0.00 0.00 175.76 176.66 2w3r h PRO 80 N 0.77 0.35 -6.36 0.00 0.11 -1.93 -3.41 132.00 121.52 2w3r h PRO 80 Ca -0.46 -0.02 -0.54 0.00 0.11 0.00 0.00 66.00 65.08 2w3r h PRO 80 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2w3r h PRO 80 CO 0.62 0.23 0.80 -1.54 -0.21 0.00 0.00 178.00 177.90 2w3r s SER 81 N -5.87 6.89 0.53 -2.05 1.04 -1.26 -4.99 113.70 107.99 2w3r s SER 81 Ca -0.08 2.05 -0.20 0.00 0.48 0.00 0.00 55.95 58.20 2w3r s SER 81 Cb 0.21 -2.56 -0.06 0.00 0.10 0.00 0.00 66.02 63.71 2w3r s SER 81 CO 0.77 -0.69 1.16 -2.84 0.98 0.00 0.00 173.24 172.62 2w3r s PRO 82 N 2.35 3.39 -0.12 4.02 0.02 -1.26 -4.75 135.00 138.66 2w3r s PRO 82 Ca 0.62 1.70 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 2w3r s PRO 82 Cb -0.30 -2.10 0.04 0.00 0.02 0.00 0.00 34.50 32.16 2w3r s PRO 82 CO 0.25 -0.84 0.03 -2.00 -0.33 0.00 0.00 177.00 174.12 2w3r s GLU 83 N -3.13 0.42 0.38 5.54 2.12 -1.26 -4.96 118.70 117.80 2w3r s GLU 83 Ca 0.71 -0.02 -0.27 0.00 0.36 0.00 0.00 54.97 55.75 2w3r s GLU 83 Cb -0.26 -1.34 -0.10 0.00 0.26 0.00 0.00 34.13 32.68 2w3r s GLU 83 CO 0.30 -0.46 1.34 -1.25 -0.54 0.00 0.00 175.26 174.66 2w3r s PRO 84 N 2.00 4.12 -0.00 4.30 0.04 -1.24 -1.60 135.00 142.61 2w3r s PRO 84 Ca 0.03 2.27 -0.20 0.00 0.04 0.00 0.00 61.00 63.14 2w3r s PRO 84 Cb -0.14 -2.90 -0.27 0.00 0.04 0.00 0.00 34.50 31.23 2w3r s PRO 84 CO -0.06 -0.41 1.04 0.28 0.04 0.00 0.00 177.00 177.89 2w3r h VAL 85 N 2.75 1.43 -3.96 -0.36 2.07 -1.88 -3.44 116.25 112.86 2w3r h VAL 85 Ca -0.50 -2.27 -0.69 0.00 0.82 0.00 0.00 66.70 64.06 2w3r h VAL 85 Cb 1.24 2.79 -0.22 0.00 -1.52 0.00 0.00 31.29 33.58 2w3r h VAL 85 CO 0.64 0.66 -0.78 -0.76 0.02 0.00 0.00 177.57 177.35 2w3r s LEU 86 N -8.13 2.73 0.08 2.57 1.43 -1.26 -4.62 118.68 111.47 2w3r s LEU 86 Ca -0.13 -0.29 -0.34 0.00 -1.03 0.00 0.00 54.13 52.34 2w3r s LEU 86 Cb 0.03 -1.58 -0.13 0.00 0.03 0.00 0.00 46.19 44.54 2w3r s LEU 86 CO 0.84 0.30 1.67 0.00 0.23 0.00 0.00 176.35 179.39 2w3r n ALA 87 N 1.87 1.18 -2.66 4.21 0.00 -0.44 -4.70 120.51 119.96 2w3r n ALA 87 Ca -0.16 0.40 -0.42 0.00 0.00 0.00 0.00 53.44 53.26 2w3r n ALA 87 Cb 0.52 -2.39 0.01 0.00 0.00 0.00 0.00 19.45 17.59 2w3r n ALA 87 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2w3r n THR 88 N 3.94 5.74 0.00 0.00 -2.24 -1.26 -4.45 114.28 116.01 2w3r n THR 88 Ca 0.19 -5.74 0.00 0.00 -2.27 0.00 0.00 64.05 56.23 2w3r n THR 88 Cb 0.29 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.73 2w3r n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w3r n GLY 89 N 0.63 2.06 3.33 3.38 0.00 -1.26 -4.99 105.19 108.34 2w3r n GLY 89 Ca 0.42 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.30 2w3r n GLY 89 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2w3r s GLU 90 N -0.48 0.79 0.14 1.61 -1.05 -1.26 -0.65 118.70 117.80 2w3r s GLU 90 Ca 0.00 -0.04 0.08 0.00 -0.15 0.00 0.00 54.97 54.86 2w3r s GLU 90 Cb 0.00 0.36 -0.04 0.00 -0.44 0.00 0.00 34.13 34.01 2w3r s GLU 90 CO 0.00 -0.23 -0.09 0.14 0.95 0.00 0.00 175.26 176.03 2w3r s VAL 91 N -1.27 3.31 0.00 1.83 -7.23 -0.19 -4.86 120.40 111.99 2w3r s VAL 91 Ca -0.13 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 58.62 2w3r s VAL 91 Cb -0.04 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2w3r s VAL 91 CO 0.06 0.02 0.52 1.41 -0.31 0.00 0.00 175.10 176.80 2w3r n HIS 92 N 0.42 0.00 -3.64 2.82 -0.00 -1.25 -2.70 115.22 110.86 2w3r n HIS 92 Ca -0.12 -0.13 -0.03 0.00 -0.00 0.00 0.00 57.72 57.43 2w3r n HIS 92 Cb 0.54 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.99 30.46 2w3r n HIS 92 CO 0.00 0.00 0.00 -0.59 -0.00 0.00 0.00 176.34 175.75 2w3r s PHE 93 N -0.27 -0.10 -0.07 4.41 -0.12 -1.04 -3.94 117.98 116.86 2w3r s PHE 93 Ca 0.00 0.19 -0.29 0.00 -0.05 0.00 0.00 56.93 56.78 2w3r s PHE 93 Cb 0.00 0.48 -0.07 0.00 -0.63 0.00 0.00 43.02 42.80 2w3r s PHE 93 CO 0.00 -0.07 2.04 0.08 -0.05 0.00 0.00 175.22 177.22 2w3r s VAL 94 N -0.63 3.05 0.00 -2.49 1.01 -1.07 -1.79 120.40 118.48 2w3r s VAL 94 Ca 0.07 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.10 2w3r s VAL 94 Cb -0.02 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.31 2w3r s VAL 94 CO -0.09 -0.01 0.00 0.61 0.00 0.00 0.00 175.10 175.60 2w3r n GLY 95 N 4.99 1.25 3.68 4.51 0.00 0.11 -4.85 105.19 114.88 2w3r n GLY 95 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2w3r n GLY 95 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2w3r s GLN 96 N -0.33 4.32 -0.10 1.61 0.74 -0.74 -4.46 119.66 120.70 2w3r s GLN 96 Ca 0.00 1.62 -0.29 0.00 0.05 0.00 0.00 55.36 56.74 2w3r s GLN 96 Cb 0.00 -3.62 -0.07 0.00 1.10 0.00 0.00 33.01 30.42 2w3r s GLN 96 CO 0.00 -0.53 2.11 -2.30 -0.55 0.00 0.00 175.29 174.02 2w3r n PRO 97 N 5.69 2.38 -0.09 1.67 -0.02 -1.26 -0.48 135.00 142.88 2w3r n PRO 97 Ca 0.12 0.77 -0.19 0.00 -2.02 0.00 0.00 63.50 62.19 2w3r n PRO 97 Cb 0.46 -3.13 -0.11 0.00 -0.02 0.00 0.00 33.50 30.70 2w3r n PRO 97 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 2w3r h ILE 98 N 6.44 0.98 -3.24 4.25 2.04 -0.42 -1.17 117.51 126.40 2w3r h ILE 98 Ca -0.45 -2.09 -0.41 0.00 1.00 0.00 0.00 64.86 62.91 2w3r h ILE 98 Cb 1.24 2.20 -0.14 0.00 -0.74 0.00 0.00 36.82 39.38 2w3r h ILE 98 CO 0.95 0.33 -0.62 0.72 0.00 0.00 0.00 178.15 179.53 2w3r s PHE 99 N -2.31 1.75 -0.01 1.37 -0.12 -1.08 -3.61 117.98 113.97 2w3r s PHE 99 Ca -0.25 -1.02 0.07 0.00 -0.05 0.00 0.00 56.93 55.68 2w3r s PHE 99 Cb 0.04 -1.08 -0.02 0.00 -0.63 0.00 0.00 43.02 41.33 2w3r s PHE 99 CO 0.57 -0.11 -0.23 -1.17 -0.05 0.00 0.00 175.22 174.22 2w3r s LEU 100 N -3.39 2.06 -0.11 -1.99 2.96 -0.82 -0.49 118.68 116.90 2w3r s LEU 100 Ca 0.35 -0.44 0.02 0.00 -0.22 0.00 0.00 54.13 53.84 2w3r s LEU 100 Cb 0.08 -1.20 -0.01 0.00 0.50 0.00 0.00 46.19 45.55 2w3r s LEU 100 CO 0.14 0.28 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.60 2w3r s VAL 101 N -0.58 2.81 -0.24 1.68 1.01 -0.05 0.01 120.40 125.05 2w3r s VAL 101 Ca 0.09 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.25 2w3r s VAL 101 Cb -0.09 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.12 2w3r s VAL 101 CO -0.01 0.54 0.04 0.00 0.00 0.00 0.00 175.10 175.68 2w3r s ALA 102 N 0.15 3.08 0.10 5.51 0.00 0.18 -2.29 121.76 128.49 2w3r s ALA 102 Ca -0.09 -1.12 0.00 0.00 0.00 0.00 0.00 51.96 50.76 2w3r s ALA 102 Cb -0.15 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.95 2w3r s ALA 102 CO 0.05 -0.43 -0.02 0.00 0.00 0.00 0.00 175.76 175.36 2w3r s ALA 103 N 1.51 0.88 -1.97 0.00 0.00 -0.49 0.16 121.76 121.84 2w3r s ALA 103 Ca 0.06 -1.37 0.19 0.00 0.00 0.00 0.00 51.96 50.84 2w3r s ALA 103 Cb -0.15 0.40 1.14 0.00 0.00 0.00 0.00 23.12 24.51 2w3r s ALA 103 CO 0.02 -0.34 1.54 0.25 0.00 0.00 0.00 175.76 177.23 2w3r n THR 104 N -0.04 0.02 -3.51 0.00 -2.24 0.41 0.01 114.28 108.93 2w3r n THR 104 Ca -0.10 0.01 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 2w3r n THR 104 Cb 0.62 -0.70 -0.05 0.00 -2.10 0.00 0.00 70.33 68.09 2w3r n THR 104 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2w3r s SER 105 N -2.03 -0.62 0.18 3.42 1.04 -1.26 -4.82 113.70 109.61 2w3r s SER 105 Ca 0.28 0.54 -0.13 0.00 0.48 0.00 0.00 55.95 57.12 2w3r s SER 105 Cb 0.13 0.54 0.16 0.00 0.10 0.00 0.00 66.02 66.95 2w3r s SER 105 CO 0.23 -0.68 1.74 -0.74 0.98 0.00 0.00 173.24 174.77 2w3r h HIS 106 N 2.81 0.28 0.70 5.02 2.76 -1.86 -1.05 115.15 123.80 2w3r h HIS 106 Ca -0.29 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 57.88 2w3r h HIS 106 Cb 1.18 -0.05 -0.00 0.00 1.55 0.00 0.00 27.41 30.08 2w3r h HIS 106 CO 0.35 0.09 -0.39 0.00 -1.30 0.00 0.00 177.93 176.68 2w3r h ARG 107 N 0.33 -0.98 -0.80 5.26 2.47 -1.97 -2.17 114.38 116.52 2w3r h ARG 107 Ca 0.23 0.07 0.16 0.00 -1.26 0.00 0.00 59.98 59.17 2w3r h ARG 107 Cb 0.25 0.22 -0.06 0.00 -1.65 0.00 0.00 29.97 28.73 2w3r h ARG 107 CO -0.24 -0.65 0.53 0.00 0.56 0.00 0.00 179.97 180.17 2w3r h ALA 108 N -0.76 2.09 -0.08 0.04 0.00 -1.85 0.11 119.26 118.82 2w3r h ALA 108 Ca -0.09 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2w3r h ALA 108 Cb 0.80 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 2w3r h ALA 108 CO 0.11 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 179.07 2w3r h ALA 109 N 1.63 0.10 -0.51 0.00 0.00 -1.05 -1.94 119.26 117.49 2w3r h ALA 109 Ca 0.40 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2w3r h ALA 109 Cb 0.88 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2w3r h ALA 109 CO -0.14 -0.26 -0.12 0.00 0.00 0.00 0.00 179.25 178.72 2w3r h ARG 110 N -0.10 0.97 -0.11 0.00 3.08 -0.41 -1.37 114.38 116.42 2w3r h ARG 110 Ca 0.02 -0.36 0.03 0.00 0.07 0.00 0.00 59.98 59.75 2w3r h ARG 110 Cb 0.26 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2w3r h ARG 110 CO 0.00 1.03 -0.11 0.82 -1.07 0.00 0.00 179.97 180.64 2w3r h ILE 111 N 0.86 0.69 0.00 2.04 2.04 -0.89 -2.93 117.51 119.31 2w3r h ILE 111 Ca 0.13 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.92 2w3r h ILE 111 Cb 0.68 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.43 2w3r h ILE 111 CO 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.87 2w3r h ALA 112 N 0.94 1.44 0.00 1.87 0.00 -1.08 -2.71 119.26 119.72 2w3r h ALA 112 Ca 0.08 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2w3r h ALA 112 Cb 0.25 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2w3r h ALA 112 CO -0.19 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.46 2w3r n ALA 113 N -2.47 2.12 -0.07 0.00 0.00 -0.54 -2.03 120.51 117.52 2w3r n ALA 113 Ca -0.02 -0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2w3r n ALA 113 Cb 0.37 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.82 2w3r n ALA 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2w3r n ARG 114 N -0.50 2.90 -0.39 0.00 1.74 -1.02 -4.51 116.66 114.87 2w3r n ARG 114 Ca 0.00 -0.19 0.07 0.00 -0.77 0.00 0.00 57.85 56.97 2w3r n ARG 114 Cb 0.00 -0.64 0.25 0.00 -1.02 0.00 0.00 32.46 31.05 2w3r n ARG 114 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2w3r n LYS 115 N -0.47 2.74 -1.32 5.56 5.02 -0.86 -4.96 118.16 123.87 2w3r n LYS 115 Ca 0.00 -2.04 -0.29 0.00 -2.02 0.00 0.00 58.31 53.96 2w3r n LYS 115 Cb 0.02 -1.62 0.15 0.00 -0.02 0.00 0.00 35.03 33.56 2w3r n LYS 115 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2w3r s ALA 116 N -1.59 1.38 -0.30 7.82 0.00 -1.26 -4.05 121.76 123.76 2w3r s ALA 116 Ca 0.37 -0.37 -0.01 0.00 0.00 0.00 0.00 51.96 51.95 2w3r s ALA 116 Cb 0.22 -3.09 0.10 0.00 0.00 0.00 0.00 23.12 20.34 2w3r s ALA 116 CO 0.20 -2.52 0.09 1.03 0.00 0.00 0.00 175.76 174.56 2w3r s ARG 117 N -5.08 0.77 -0.20 0.00 0.52 -0.41 -5.02 118.95 109.53 2w3r s ARG 117 Ca 0.64 -1.08 -0.02 0.00 -0.52 0.00 0.00 55.73 54.75 2w3r s ARG 117 Cb -0.17 -2.07 -0.00 0.00 0.52 0.00 0.00 34.95 33.23 2w3r s ARG 117 CO 0.56 -0.96 -0.09 0.42 0.02 0.00 0.00 175.30 175.25 2w3r s ILE 118 N 1.59 3.08 -0.15 1.52 1.01 -1.26 -0.98 121.20 126.01 2w3r s ILE 118 Ca 0.09 -0.60 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2w3r s ILE 118 Cb -0.17 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.89 2w3r s ILE 118 CO -0.23 0.46 0.15 0.42 0.00 0.00 0.00 174.94 175.74 2w3r s THR 119 N 1.24 5.45 0.11 2.92 -4.23 -0.21 -4.97 115.64 115.96 2w3r s THR 119 Ca 0.03 0.23 0.10 0.00 -1.18 0.00 0.00 61.69 60.87 2w3r s THR 119 Cb -0.14 -3.44 -0.04 0.00 1.34 0.00 0.00 72.50 70.22 2w3r s THR 119 CO -0.04 0.54 -0.26 -0.31 -0.54 0.00 0.00 174.62 174.02 2w3r s TYR 120 N -0.45 2.34 -0.84 3.99 1.51 -1.26 0.11 117.35 122.75 2w3r s TYR 120 Ca 0.13 -0.37 -0.04 0.00 -1.01 0.00 0.00 57.07 55.77 2w3r s TYR 120 Cb -0.12 -1.29 0.21 0.00 -0.11 0.00 0.00 41.96 40.65 2w3r s TYR 120 CO 0.02 0.30 0.72 0.00 -1.11 0.00 0.00 175.55 175.48 2w3r s ALA 121 N -1.02 4.10 0.29 3.71 0.00 0.54 -4.79 121.76 124.59 2w3r s ALA 121 Ca 0.14 -3.62 -0.30 0.00 0.00 0.00 0.00 51.96 48.18 2w3r s ALA 121 Cb -0.10 -2.95 -0.12 0.00 0.00 0.00 0.00 23.12 19.95 2w3r s ALA 121 CO 0.06 -2.16 1.46 -2.30 0.00 0.00 0.00 175.76 172.82 2w3r n PRO 122 N 2.89 2.36 -3.91 0.00 -0.02 -1.26 -2.12 135.00 132.94 2w3r n PRO 122 Ca 0.17 0.83 -0.23 0.00 -2.02 0.00 0.00 63.50 62.25 2w3r n PRO 122 Cb 0.39 -2.53 -0.06 0.00 -0.02 0.00 0.00 33.50 31.28 2w3r n PRO 122 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2w3r s ARG 123 N -0.88 2.34 -0.01 -0.52 0.52 0.18 -4.92 118.95 115.65 2w3r s ARG 123 Ca 0.63 -1.73 -0.30 0.00 -0.52 0.00 0.00 55.73 53.81 2w3r s ARG 123 Cb -0.56 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 2w3r s ARG 123 CO 0.53 -0.15 1.20 -2.14 0.02 0.00 0.00 175.30 174.76 2w3r s PRO 124 N -3.99 4.38 0.74 3.54 0.02 -1.26 -4.63 135.00 133.80 2w3r s PRO 124 Ca 0.44 1.70 -0.11 0.00 0.02 0.00 0.00 61.00 63.05 2w3r s PRO 124 Cb 0.01 -3.49 0.03 0.00 0.02 0.00 0.00 34.50 31.08 2w3r s PRO 124 CO 0.25 -0.37 1.08 0.00 -0.33 0.00 0.00 177.00 177.62 2w3r s ALA 125 N 1.81 2.54 -0.61 -1.55 0.00 -1.26 -4.92 121.76 117.76 2w3r s ALA 125 Ca 0.57 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 52.50 2w3r s ALA 125 Cb -0.26 -3.13 0.24 0.00 0.00 0.00 0.00 23.12 19.97 2w3r s ALA 125 CO 0.25 -1.40 0.69 -0.89 0.00 0.00 0.00 175.76 174.41 2w3r n ILE 126 N -3.23 1.88 0.00 0.00 5.41 -1.26 -4.98 119.36 117.18 2w3r n ILE 126 Ca 0.07 -5.02 -0.17 0.00 1.00 0.00 0.00 62.75 58.63 2w3r n ILE 126 Cb 0.55 -2.08 -0.13 0.00 -0.71 0.00 0.00 39.64 37.26 2w3r n ILE 126 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2w3r h LEU 127 N 4.28 0.31-10.33 1.39 3.38 -1.94 -3.18 115.31 109.23 2w3r h LEU 127 Ca 0.18 -0.92 -0.48 0.00 0.09 0.00 0.00 57.88 56.75 2w3r h LEU 127 Cb 0.70 -0.10 0.03 0.00 0.09 0.00 0.00 40.66 41.38 2w3r h LEU 127 CO 0.78 1.21 0.02 0.42 0.09 0.00 0.00 178.44 180.95 2w3r s THR 128 N -2.56 4.50 0.17 0.22 -4.23 -1.26 -4.86 115.64 107.62 2w3r s THR 128 Ca -0.15 -0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 60.10 2w3r s THR 128 Cb 0.00 -3.70 0.06 0.00 1.34 0.00 0.00 72.50 70.20 2w3r s THR 128 CO 0.78 -0.60 1.70 -0.07 -0.54 0.00 0.00 174.62 175.89 2w3r h LEU 129 N 0.29 0.82 -0.67 4.79 4.07 -1.97 -2.72 115.31 119.92 2w3r h LEU 129 Ca -0.47 -0.20 0.14 0.00 0.08 0.00 0.00 57.88 57.42 2w3r h LEU 129 Cb 1.23 -0.21 -0.10 0.00 1.08 0.00 0.00 40.66 42.66 2w3r h LEU 129 CO 0.60 0.80 0.14 0.44 -1.08 0.00 0.00 178.44 179.34 2w3r h ASP 130 N 0.79 -0.02 -0.33 -0.43 3.32 -1.98 0.29 116.42 118.05 2w3r h ASP 130 Ca 0.18 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2w3r h ASP 130 Cb 0.27 0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 2w3r h ASP 130 CO -0.01 -0.02 0.18 1.56 -1.72 0.00 0.00 179.24 179.23 2w3r h GLN 131 N 0.25 0.46 -0.38 3.56 4.20 -1.88 0.66 115.11 121.98 2w3r h GLN 131 Ca 0.36 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.92 2w3r h GLN 131 Cb 0.58 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.26 2w3r h GLN 131 CO -0.47 0.39 -0.12 0.00 -0.67 0.00 0.00 178.83 177.96 2w3r h ALA 132 N 1.05 0.53 -0.71 3.87 0.00 -1.02 0.36 119.26 123.33 2w3r h ALA 132 Ca 0.12 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 2w3r h ALA 132 Cb 0.06 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 2w3r h ALA 132 CO -0.02 0.42 0.30 1.25 0.00 0.00 0.00 179.25 181.20 2w3r h LEU 133 N 0.56 0.97 -0.14 0.00 5.85 -0.35 0.41 115.31 122.61 2w3r h LEU 133 Ca 0.09 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.57 2w3r h LEU 133 Cb 0.65 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.43 2w3r h LEU 133 CO 0.04 0.87 -0.21 0.00 -0.34 0.00 0.00 178.44 178.80 2w3r h ALA 134 N 1.14 0.22 -0.14 1.25 0.00 -0.74 -3.23 119.26 117.75 2w3r h ALA 134 Ca 0.24 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2w3r h ALA 134 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.94 2w3r h ALA 134 CO -0.02 0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.39 2w3r n ALA 135 N -2.45 2.52 -3.97 0.00 0.00 0.12 -4.90 120.51 111.83 2w3r n ALA 135 Ca -0.06 -0.28 -0.26 0.00 0.00 0.00 0.00 53.44 52.84 2w3r n ALA 135 Cb 0.41 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 18.85 2w3r n ALA 135 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2w3r n ASP 136 N -0.04 -0.49 -4.31 0.00 2.03 0.08 -4.94 116.55 108.88 2w3r n ASP 136 Ca 0.05 -1.01 -0.46 0.00 0.52 0.00 0.00 54.79 53.90 2w3r n ASP 136 Cb 0.17 -3.02 -0.05 0.00 -0.72 0.00 0.00 41.12 37.49 2w3r n ASP 136 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2w3r s SER 137 N -4.30 6.15 0.21 1.67 0.15 0.12 -5.03 113.70 112.68 2w3r s SER 137 Ca 0.05 -1.78 -0.14 0.00 0.70 0.00 0.00 55.95 54.78 2w3r s SER 137 Cb -0.03 -2.19 0.01 0.00 -1.71 0.00 0.00 66.02 62.10 2w3r s SER 137 CO 0.89 -0.84 0.46 0.00 1.20 0.00 0.00 173.24 174.96 2w3r s ARG 138 N 1.58 1.41 0.26 5.44 1.70 -1.26 -0.52 118.95 127.57 2w3r s ARG 138 Ca 0.03 -1.08 0.07 0.00 -0.47 0.00 0.00 55.73 54.29 2w3r s ARG 138 Cb -0.29 0.48 -0.03 0.00 -0.57 0.00 0.00 34.95 34.53 2w3r s ARG 138 CO 0.03 -0.58 0.23 -0.06 -1.08 0.00 0.00 175.30 173.83 2w3r s PHE 139 N -3.95 3.10 0.00 5.89 0.40 -0.10 -4.58 117.98 118.75 2w3r s PHE 139 Ca 0.16 -0.14 0.00 0.00 -0.60 0.00 0.00 56.93 56.35 2w3r s PHE 139 Cb -0.00 -1.48 0.00 0.00 0.51 0.00 0.00 43.02 42.05 2w3r s PHE 139 CO 0.02 0.46 0.00 0.39 0.70 0.00 0.00 175.22 176.79 2w3r n GLU 140 N -1.23 -0.00 -3.20 0.44 1.02 -1.26 -4.19 120.64 112.21 2w3r n GLU 140 Ca -0.07 0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.01 2w3r n GLU 140 Cb 0.58 -3.22 0.01 0.00 -0.02 0.00 0.00 31.44 28.79 2w3r n GLU 140 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2w3r n GLY 141 N -2.00 -1.23 0.00 0.62 0.00 -1.26 -4.92 105.19 96.39 2w3r n GLY 141 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.52 2w3r n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLY 142 N -1.70 2.90 3.73 -0.02 0.00 -1.26 -5.06 105.19 103.79 2w3r n GLY 142 Ca -0.05 -1.84 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2w3r n GLY 142 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2w3r s PRO 143 N -3.56 4.48 -0.13 1.61 0.04 -1.26 -4.87 135.00 131.31 2w3r s PRO 143 Ca 0.00 1.87 -0.29 0.00 0.04 0.00 0.00 61.00 62.62 2w3r s PRO 143 Cb 0.00 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2w3r s PRO 143 CO 0.00 -0.11 1.08 0.08 0.04 0.00 0.00 177.00 178.08 2w3r s VAL 144 N 0.09 4.61 -0.14 -0.36 1.01 0.07 -4.77 120.40 120.91 2w3r s VAL 144 Ca 0.54 1.91 0.00 0.00 0.00 0.00 0.00 61.98 64.43 2w3r s VAL 144 Cb -0.32 -4.23 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2w3r s VAL 144 CO 0.36 -0.06 -0.13 -0.63 0.00 0.00 0.00 175.10 174.64 2w3r s ILE 145 N 2.49 1.51 0.13 2.22 1.01 -1.26 0.20 121.20 127.49 2w3r s ILE 145 Ca 0.49 -0.59 0.07 0.00 0.00 0.00 0.00 60.65 60.62 2w3r s ILE 145 Cb -0.19 -1.42 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2w3r s ILE 145 CO 0.15 0.45 -0.08 0.26 0.00 0.00 0.00 174.94 175.72 2w3r s TRP 146 N 1.48 2.75 -0.14 3.97 0.51 -0.60 -4.96 118.94 121.96 2w3r s TRP 146 Ca 0.04 -0.16 -0.08 0.00 -2.12 0.00 0.00 56.10 53.79 2w3r s TRP 146 Cb -0.13 -1.41 0.05 0.00 -0.81 0.00 0.00 33.47 31.18 2w3r s TRP 146 CO -0.10 0.46 0.33 0.00 -0.51 0.00 0.00 176.95 177.13 2w3r s ALA 147 N -1.38 -0.82 -0.21 0.98 0.00 -1.26 -0.74 121.76 118.33 2w3r s ALA 147 Ca 0.23 1.24 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2w3r s ALA 147 Cb -0.10 -0.76 0.04 0.00 0.00 0.00 0.00 23.12 22.29 2w3r s ALA 147 CO 0.15 -0.22 -0.16 0.50 0.00 0.00 0.00 175.76 176.02 2w3r s ARG 148 N 1.19 2.69 3.29 0.00 3.52 0.29 -4.98 118.95 124.95 2w3r s ARG 148 Ca -0.08 -1.02 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2w3r s ARG 148 Cb -0.08 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.62 2w3r s ARG 148 CO -0.09 -0.35 0.00 0.41 -0.81 0.00 0.00 175.30 174.46 2w3r n GLY 149 N 4.55 0.29 2.90 8.12 0.00 -1.26 -0.15 105.19 119.64 2w3r n GLY 149 Ca -0.18 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 2w3r n GLY 149 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2w3r s ASP 150 N -4.00 4.35 0.15 1.61 -1.08 -1.26 -4.81 116.67 111.63 2w3r s ASP 150 Ca 0.00 -2.31 -0.11 0.00 -0.52 0.00 0.00 52.55 49.61 2w3r s ASP 150 Cb 0.00 -1.39 -0.01 0.00 -1.46 0.00 0.00 42.92 40.07 2w3r s ASP 150 CO 0.00 -0.34 1.53 -0.37 0.52 0.00 0.00 175.17 176.51 2w3r h VAL 151 N 6.13 1.27 -0.99 1.11 -1.51 -1.87 -2.00 116.25 118.39 2w3r h VAL 151 Ca -0.06 -1.41 0.06 0.00 -1.23 0.00 0.00 66.70 64.05 2w3r h VAL 151 Cb 0.98 1.18 -0.06 0.00 -2.13 0.00 0.00 31.29 31.26 2w3r h VAL 151 CO 0.54 0.48 0.64 -0.08 -1.23 0.00 0.00 177.57 177.93 2w3r h GLU 152 N 0.83 1.14 -0.03 5.19 4.57 -1.99 0.25 114.58 124.54 2w3r h GLU 152 Ca 0.10 -0.07 -0.06 0.00 -1.18 0.00 0.00 59.36 58.15 2w3r h GLU 152 Cb 0.83 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2w3r h GLU 152 CO 0.07 0.76 -0.20 1.15 -1.18 0.00 0.00 179.01 179.61 2w3r h THR 153 N 1.18 1.48 -0.59 0.32 2.02 -1.98 -3.16 112.91 112.19 2w3r h THR 153 Ca 0.42 -1.71 0.06 0.00 0.77 0.00 0.00 66.41 65.95 2w3r h THR 153 Cb 0.14 2.50 -0.05 0.00 -1.74 0.00 0.00 68.15 69.00 2w3r h THR 153 CO -0.16 0.47 0.30 0.00 0.37 0.00 0.00 175.52 176.50 2w3r h ALA 154 N 0.37 0.77 0.00 6.16 0.00 -0.55 -1.93 119.26 124.07 2w3r h ALA 154 Ca -0.02 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 2w3r h ALA 154 Cb 0.87 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2w3r h ALA 154 CO 0.04 -0.05 -0.29 -0.07 0.00 0.00 0.00 179.25 178.88 2w3r h LEU 155 N 0.56 0.00 -0.68 0.00 3.38 -0.67 -2.90 115.31 115.00 2w3r h LEU 155 Ca 0.27 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.16 2w3r h LEU 155 Cb 0.19 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2w3r h LEU 155 CO -0.19 0.29 0.14 0.00 0.09 0.00 0.00 178.44 178.77 2w3r h ALA 156 N 1.71 0.90 -0.71 1.53 0.00 -1.31 -3.13 119.26 118.26 2w3r h ALA 156 Ca -0.00 -0.26 -0.40 0.00 0.00 0.00 0.00 54.91 54.25 2w3r h ALA 156 Cb 0.70 -0.26 -0.23 0.00 0.00 0.00 0.00 17.79 18.00 2w3r h ALA 156 CO 0.04 0.65 0.26 0.41 0.00 0.00 0.00 179.25 180.60 2w3r n GLY 157 N -0.62 5.02 3.63 0.00 0.00 -1.13 -4.99 105.19 107.10 2w3r n GLY 157 Ca 0.05 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.21 2w3r n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3r s ALA 158 N -3.38 3.61 0.13 4.61 0.00 -1.11 -4.96 121.76 120.66 2w3r s ALA 158 Ca 0.52 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.89 2w3r s ALA 158 Cb 0.45 -3.20 -0.09 0.00 0.00 0.00 0.00 23.12 20.28 2w3r s ALA 158 CO 0.04 -0.94 1.50 0.00 0.00 0.00 0.00 175.76 176.36 2w3r h ALA 159 N 7.84 -0.67 -3.38 0.00 0.00 -1.89 -3.40 119.26 117.76 2w3r h ALA 159 Ca -0.25 0.03 -0.65 0.00 0.00 0.00 0.00 54.91 54.05 2w3r h ALA 159 Cb 1.10 1.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.93 2w3r h ALA 159 CO 0.84 -0.96 -0.70 -1.01 0.00 0.00 0.00 179.25 177.42 2w3r s HIS 160 N -5.38 2.84 -0.15 0.00 3.76 -1.25 -5.00 115.29 110.11 2w3r s HIS 160 Ca -0.12 -0.11 -0.09 0.00 -0.15 0.00 0.00 55.06 54.58 2w3r s HIS 160 Cb 0.08 -1.46 0.05 0.00 1.11 0.00 0.00 32.58 32.37 2w3r s HIS 160 CO 0.56 0.46 0.37 -1.17 -0.85 0.00 0.00 174.74 174.11 2w3r s LEU 161 N -2.37 0.18 -0.05 0.89 0.20 -1.26 -0.71 118.68 115.56 2w3r s LEU 161 Ca 0.24 0.78 0.05 0.00 0.69 0.00 0.00 54.13 55.89 2w3r s LEU 161 Cb -0.11 1.21 -0.01 0.00 -0.43 0.00 0.00 46.19 46.86 2w3r s LEU 161 CO 0.16 -0.17 -0.21 0.00 -0.29 0.00 0.00 176.35 175.84 2w3r s ALA 162 N 1.05 1.86 0.32 5.97 0.00 -0.10 -5.00 121.76 125.85 2w3r s ALA 162 Ca -0.07 -0.86 0.10 0.00 0.00 0.00 0.00 51.96 51.13 2w3r s ALA 162 Cb -0.07 -0.61 -0.06 0.00 0.00 0.00 0.00 23.12 22.38 2w3r s ALA 162 CO -0.08 0.34 -0.13 -1.21 0.00 0.00 0.00 175.76 174.68 2w3r s GLU 163 N -0.01 1.75 0.00 0.00 2.02 -1.26 -0.91 118.70 120.28 2w3r s GLU 163 Ca -0.05 -1.87 0.00 0.00 0.02 0.00 0.00 54.97 53.07 2w3r s GLU 163 Cb -0.13 -1.67 0.00 0.00 0.10 0.00 0.00 34.13 32.43 2w3r s GLU 163 CO 0.03 0.19 0.00 0.41 0.02 0.00 0.00 175.26 175.92 2w3r n GLY 164 N -0.72 -2.42 3.64 -1.39 0.00 -0.90 -5.01 105.19 98.40 2w3r n GLY 164 Ca -0.05 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.68 2w3r n GLY 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3r s PHE 166 N 1.10 0.18 0.13 0.00 -0.12 -0.93 -5.01 117.98 113.34 2w3r s PHE 166 Ca -0.06 -0.57 -0.16 0.00 -0.05 0.00 0.00 56.93 56.09 2w3r s PHE 166 Cb -0.04 -0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.18 2w3r s PHE 166 CO -0.13 -0.48 0.57 -1.21 -0.05 0.00 0.00 175.22 173.92 2w3r s GLU 167 N -3.42 4.07 -0.23 1.99 0.41 -1.26 -2.03 118.70 118.22 2w3r s GLU 167 Ca 0.02 0.60 0.00 0.00 -0.41 0.00 0.00 54.97 55.17 2w3r s GLU 167 Cb 0.03 -3.02 0.06 0.00 -1.78 0.00 0.00 34.13 29.43 2w3r s GLU 167 CO -0.09 0.52 -0.03 0.42 -0.49 0.00 0.00 175.26 175.59 2w3r s ILE 168 N -1.37 1.32 0.92 -1.63 1.01 0.18 -2.35 121.20 119.28 2w3r s ILE 168 Ca 0.36 -1.11 -0.12 0.00 0.00 0.00 0.00 60.65 59.78 2w3r s ILE 168 Cb -0.16 -1.65 0.14 0.00 0.01 0.00 0.00 42.46 40.79 2w3r s ILE 168 CO 0.19 -0.15 1.09 -0.83 0.00 0.00 0.00 174.94 175.25 2w3r s GLY 169 N 1.49 1.61 0.00 6.18 0.00 -1.00 -0.49 107.32 115.10 2w3r s GLY 169 Ca -0.04 -0.11 0.00 0.00 0.00 0.00 0.00 44.72 44.56 2w3r s GLY 169 CO -0.07 0.40 0.00 0.61 0.00 0.00 0.00 173.10 174.04 2w3r n GLY 170 N -1.10 -1.69 3.52 0.20 0.00 -1.26 -4.65 105.19 100.21 2w3r n GLY 170 Ca 0.07 -1.53 -0.05 0.00 0.00 0.00 0.00 46.02 44.50 2w3r n GLY 170 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2w3r s GLN 171 N -1.72 0.54 0.25 1.61 0.74 -1.26 -4.71 119.66 115.11 2w3r s GLN 171 Ca 0.00 1.23 -0.30 0.00 0.05 0.00 0.00 55.36 56.34 2w3r s GLN 171 Cb 0.00 0.46 -0.09 0.00 1.10 0.00 0.00 33.01 34.48 2w3r s GLN 171 CO 0.00 -0.19 1.03 -2.00 -0.55 0.00 0.00 175.29 173.57 2w3r s GLU 172 N 2.32 4.73 0.10 1.67 2.56 -1.26 -1.34 118.70 127.49 2w3r s GLU 172 Ca -0.07 1.65 -0.19 0.00 0.00 0.00 0.00 54.97 56.36 2w3r s GLU 172 Cb -0.10 -3.24 -0.07 0.00 2.00 0.00 0.00 34.13 32.72 2w3r s GLU 172 CO -0.17 0.33 1.66 0.45 -0.56 0.00 0.00 175.26 176.97 2w3r h HIS 173 N 4.16 0.35 -6.48 5.30 3.86 -1.95 -3.47 115.15 116.91 2w3r h HIS 173 Ca -0.46 -0.02 -0.50 0.00 -1.16 0.00 0.00 60.37 58.23 2w3r h HIS 173 Cb 1.21 -0.11 -0.10 0.00 1.06 0.00 0.00 27.41 29.47 2w3r h HIS 173 CO 0.60 0.35 -0.80 0.34 0.86 0.00 0.00 177.93 179.28 2w3r n PHE 174 N -4.82 -2.01 -1.68 2.45 7.35 -1.26 -4.94 117.46 112.55 2w3r n PHE 174 Ca -0.03 0.85 -0.46 0.00 -0.76 0.00 0.00 57.45 57.05 2w3r n PHE 174 Cb 0.11 -3.59 -0.04 0.00 0.35 0.00 0.00 39.48 36.31 2w3r n PHE 174 CO 0.00 0.00 0.00 2.48 -0.76 0.00 0.00 176.76 178.48 2w3r n TYR 175 N -4.52 2.37 -0.20 -5.13 0.18 -1.26 -4.89 117.16 103.70 2w3r n TYR 175 Ca 0.00 0.16 0.07 0.00 1.88 0.00 0.00 57.90 60.01 2w3r n TYR 175 Cb 0.54 -2.59 0.35 0.00 -0.38 0.00 0.00 39.34 37.25 2w3r n TYR 175 CO 0.00 0.00 0.00 -0.07 -2.08 0.00 0.00 176.86 174.71 2w3r h LEU 176 N 6.78 0.67 -9.13 -3.48 -0.00 -1.87 -3.38 115.31 104.90 2w3r h LEU 176 Ca -0.45 0.01 -0.59 0.00 -0.00 0.00 0.00 57.88 56.84 2w3r h LEU 176 Cb 1.25 -0.13 -0.09 0.00 -0.00 0.00 0.00 40.66 41.68 2w3r h LEU 176 CO 0.91 0.42 0.12 -0.70 -0.00 0.00 0.00 178.44 179.19 2w3r s GLU 177 N -5.68 4.22 1.21 1.13 2.12 -0.76 -5.07 118.70 115.87 2w3r s GLU 177 Ca -0.10 0.63 -0.17 0.00 0.36 0.00 0.00 54.97 55.69 2w3r s GLU 177 Cb 0.20 -3.57 0.29 0.00 0.26 0.00 0.00 34.13 31.30 2w3r s GLU 177 CO 0.78 -0.22 1.05 0.20 -0.54 0.00 0.00 175.26 176.52 2w3r s GLY 178 N 1.17 1.53 0.17 -1.50 0.00 -1.26 -4.84 107.32 102.59 2w3r s GLY 178 Ca 0.29 -0.67 -0.30 0.00 0.00 0.00 0.00 44.72 44.04 2w3r s GLY 178 CO 0.11 0.16 1.17 1.20 0.00 0.00 0.00 173.10 175.74 2w3r s GLN 179 N -5.08 4.51 -0.12 2.90 -1.52 -1.26 -4.93 119.66 114.15 2w3r s GLN 179 Ca 0.69 1.82 -0.28 0.00 -1.95 0.00 0.00 55.36 55.64 2w3r s GLN 179 Cb -0.15 -3.26 0.07 0.00 -0.22 0.00 0.00 33.01 29.45 2w3r s GLN 179 CO 0.58 -0.07 0.67 0.00 -0.25 0.00 0.00 175.29 176.22 2w3r s ALA 180 N 0.03 -1.71 0.05 6.09 0.00 -1.26 -1.71 121.76 123.26 2w3r s ALA 180 Ca 0.53 1.50 -0.10 0.00 0.00 0.00 0.00 51.96 53.89 2w3r s ALA 180 Cb -0.31 -0.39 0.00 0.00 0.00 0.00 0.00 23.12 22.42 2w3r s ALA 180 CO 0.35 -0.35 0.20 0.00 0.00 0.00 0.00 175.76 175.96 2w3r s ALA 181 N -0.65 -0.35 -0.05 0.00 0.00 0.38 -1.31 121.76 119.78 2w3r s ALA 181 Ca -0.07 -0.35 -0.01 0.00 0.00 0.00 0.00 51.96 51.52 2w3r s ALA 181 Cb -0.02 0.34 0.03 0.00 0.00 0.00 0.00 23.12 23.47 2w3r s ALA 181 CO 0.07 -0.41 0.03 -1.17 0.00 0.00 0.00 175.76 174.28 2w3r s LEU 182 N -2.31 0.55 -0.27 0.00 2.96 0.48 -1.24 118.68 118.86 2w3r s LEU 182 Ca -0.02 0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.84 2w3r s LEU 182 Cb 0.01 -0.24 0.01 0.00 0.50 0.00 0.00 46.19 46.46 2w3r s LEU 182 CO -0.06 -0.19 0.03 0.00 -1.32 0.00 0.00 176.35 174.81 2w3r s ALA 183 N 1.79 2.96 -0.37 5.97 0.00 -0.27 -0.91 121.76 130.94 2w3r s ALA 183 Ca 0.01 -1.41 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 2w3r s ALA 183 Cb -0.12 -2.00 0.06 0.00 0.00 0.00 0.00 23.12 21.06 2w3r s ALA 183 CO -0.03 -0.82 0.15 -0.51 0.00 0.00 0.00 175.76 174.54 2w3r s LEU 184 N 1.46 4.63 -0.45 0.00 1.43 0.14 -2.21 118.68 123.68 2w3r s LEU 184 Ca 0.03 -1.35 -0.26 0.00 -1.03 0.00 0.00 54.13 51.51 2w3r s LEU 184 Cb -0.17 -1.89 -0.06 0.00 0.03 0.00 0.00 46.19 44.11 2w3r s LEU 184 CO 0.00 -0.41 2.29 -2.16 0.23 0.00 0.00 176.35 176.31 2w3r s PRO 185 N 1.37 2.38 -0.95 1.29 0.04 -1.26 -1.20 135.00 136.67 2w3r s PRO 185 Ca 0.01 1.42 -0.10 0.00 0.04 0.00 0.00 61.00 62.36 2w3r s PRO 185 Cb -0.21 -4.51 0.24 0.00 0.04 0.00 0.00 34.50 30.06 2w3r s PRO 185 CO 0.02 -2.97 0.90 0.00 0.04 0.00 0.00 177.00 174.98 2w3r s ALA 186 N 11.00 4.36 0.00 8.56 0.00 -1.08 -4.92 121.76 139.67 2w3r s ALA 186 Ca 0.94 -3.60 0.00 0.00 0.00 0.00 0.00 51.96 49.30 2w3r s ALA 186 Cb -0.19 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.51 2w3r s ALA 186 CO 0.27 -2.22 0.00 -0.85 0.00 0.00 0.00 175.76 172.96 2w3r n GLU 187 N 3.22 -0.18 0.00 0.00 0.28 -1.26 -2.30 120.64 120.40 2w3r n GLU 187 Ca 0.19 0.32 0.00 0.00 -0.16 0.00 0.00 57.16 57.50 2w3r n GLU 187 Cb 0.42 -0.34 0.00 0.00 1.43 0.00 0.00 31.44 32.95 2w3r n GLU 187 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2w3r n GLY 188 N 0.96 2.45 0.00 -1.84 0.00 -1.26 -4.95 105.19 100.55 2w3r n GLY 188 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 2w3r n GLY 188 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLY 189 N 0.00 1.67 3.01 -0.02 0.00 -0.97 -5.09 105.19 103.78 2w3r n GLY 189 Ca 0.00 -2.02 -0.09 0.00 0.00 0.00 0.00 46.02 43.91 2w3r n GLY 189 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2w3r s VAL 190 N 1.63 0.11 -0.08 1.61 -7.23 -0.48 -2.64 120.40 113.31 2w3r s VAL 190 Ca 0.00 -0.94 0.01 0.00 -1.81 0.00 0.00 61.98 59.24 2w3r s VAL 190 Cb 0.00 -0.39 -0.02 0.00 0.56 0.00 0.00 36.38 36.53 2w3r s VAL 190 CO 0.00 -0.52 -0.12 -0.69 -0.31 0.00 0.00 175.10 173.46 2w3r s VAL 191 N -1.65 3.25 -0.17 1.32 1.01 -0.34 -1.77 120.40 122.04 2w3r s VAL 191 Ca -0.14 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2w3r s VAL 191 Cb -0.08 -2.32 0.02 0.00 0.00 0.00 0.00 36.38 33.99 2w3r s VAL 191 CO -0.01 0.57 -0.20 -0.63 0.00 0.00 0.00 175.10 174.83 2w3r s ILE 192 N -0.35 2.14 -0.16 2.22 -1.09 0.24 -0.68 121.20 123.51 2w3r s ILE 192 Ca 0.04 -0.92 -0.06 0.00 -2.23 0.00 0.00 60.65 57.48 2w3r s ILE 192 Cb -0.12 -1.89 -0.04 0.00 -1.58 0.00 0.00 42.46 38.83 2w3r s ILE 192 CO 0.02 0.54 0.02 -1.00 -1.23 0.00 0.00 174.94 173.29 2w3r s HIS 193 N 1.19 3.17 0.10 3.97 3.76 -0.08 0.42 115.29 127.82 2w3r s HIS 193 Ca 0.02 -0.04 -0.25 0.00 -0.15 0.00 0.00 55.06 54.64 2w3r s HIS 193 Cb -0.14 -2.01 0.08 0.00 1.11 0.00 0.00 32.58 31.63 2w3r s HIS 193 CO -0.10 0.13 0.75 0.00 -0.85 0.00 0.00 174.74 174.67 2w3r n SER 195 N -0.34 5.04 -4.30 0.00 2.88 -0.43 -4.78 113.62 111.70 2w3r n SER 195 Ca -0.12 -2.96 -0.28 0.00 -1.33 0.00 0.00 58.87 54.18 2w3r n SER 195 Cb 0.63 -1.63 -0.14 0.00 -0.75 0.00 0.00 64.21 62.32 2w3r n SER 195 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2w3r s SER 196 N 3.11 2.86 0.02 -3.46 0.15 -1.26 -4.76 113.70 110.36 2w3r s SER 196 Ca 0.46 -0.56 0.25 0.00 0.70 0.00 0.00 55.95 56.81 2w3r s SER 196 Cb 0.02 -0.25 0.52 0.00 -1.71 0.00 0.00 66.02 64.60 2w3r s SER 196 CO 0.02 0.22 1.43 0.00 1.20 0.00 0.00 173.24 176.11 2w3r n GLN 197 N 1.83 0.06 -3.26 5.44 6.02 0.74 -4.69 117.38 123.53 2w3r n GLN 197 Ca -0.17 0.02 -0.24 0.00 -0.01 0.00 0.00 57.00 56.59 2w3r n GLN 197 Cb 0.52 -1.54 -0.08 0.00 1.02 0.00 0.00 30.24 30.17 2w3r n GLN 197 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 2w3r n HIS 198 N -1.63 -0.85 -0.05 1.08 -0.00 -1.25 -1.10 115.22 111.42 2w3r n HIS 198 Ca 0.05 -3.31 -0.00 0.00 0.46 0.00 0.00 57.72 54.92 2w3r n HIS 198 Cb 0.36 0.06 0.28 0.00 -0.12 0.00 0.00 29.99 30.57 2w3r n HIS 198 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 2w3r h PRO 199 N 4.80 0.65 -0.56 1.57 0.11 -1.87 -2.03 132.00 134.67 2w3r h PRO 199 Ca 0.16 -0.11 0.03 0.00 0.11 0.00 0.00 66.00 66.18 2w3r h PRO 199 Cb 0.91 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 2w3r h PRO 199 CO 0.40 0.58 0.37 0.77 -0.21 0.00 0.00 178.00 179.92 2w3r h SER 200 N 0.63 0.58 -0.06 -2.05 0.02 -1.88 0.94 113.55 111.73 2w3r h SER 200 Ca 0.15 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.92 2w3r h SER 200 Cb 0.23 -0.14 0.01 0.00 0.14 0.00 0.00 62.40 62.64 2w3r h SER 200 CO -0.00 0.41 -0.63 -0.08 -1.14 0.00 0.00 176.83 175.38 2w3r h GLU 201 N 0.68 0.53 -0.61 3.45 4.81 -1.69 -2.58 114.58 119.18 2w3r h GLU 201 Ca 0.22 -0.49 0.07 0.00 -0.13 0.00 0.00 59.36 59.03 2w3r h GLU 201 Cb 0.05 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.48 2w3r h GLU 201 CO -0.06 1.12 0.29 0.82 -0.73 0.00 0.00 179.01 180.45 2w3r h ILE 202 N 0.12 0.87 0.18 2.32 1.08 -0.75 0.24 117.51 121.57 2w3r h ILE 202 Ca -0.06 -0.18 0.01 0.00 -0.39 0.00 0.00 64.86 64.24 2w3r h ILE 202 Cb 1.29 0.30 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 2w3r h ILE 202 CO 0.13 0.10 -0.34 -0.61 -0.69 0.00 0.00 178.15 176.73 2w3r h GLN 203 N 0.52 -0.58 -0.45 2.37 4.15 -0.88 0.12 115.11 120.37 2w3r h GLN 203 Ca 0.29 0.04 0.09 0.00 0.77 0.00 0.00 58.65 59.84 2w3r h GLN 203 Cb 0.27 0.13 -0.09 0.00 0.21 0.00 0.00 27.48 28.00 2w3r h GLN 203 CO -0.23 -0.39 -0.16 1.25 -1.93 0.00 0.00 178.83 177.37 2w3r h HIS 204 N -0.60 -0.37 -0.15 3.99 2.76 -0.91 -1.05 115.15 118.83 2w3r h HIS 204 Ca 0.02 0.04 -0.19 0.00 -2.20 0.00 0.00 60.37 58.04 2w3r h HIS 204 Cb 0.61 0.23 -0.00 0.00 1.55 0.00 0.00 27.41 29.80 2w3r h HIS 204 CO -0.27 -0.24 -0.68 0.87 -1.30 0.00 0.00 177.93 176.30 2w3r h LYS 205 N -0.06 0.60 -0.49 5.26 1.79 -0.29 -3.03 116.57 120.35 2w3r h LYS 205 Ca 0.22 -0.45 -0.11 0.00 -2.18 0.00 0.00 60.65 58.12 2w3r h LYS 205 Cb 0.39 0.08 -0.01 0.00 -1.58 0.00 0.00 32.23 31.11 2w3r h LYS 205 CO -0.49 1.07 -0.14 0.28 -1.08 0.00 0.00 179.45 179.09 2w3r h VAL 206 N 0.43 1.27 0.30 0.50 2.07 -0.52 -2.67 116.25 117.63 2w3r h VAL 206 Ca -0.02 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.20 2w3r h VAL 206 Cb 1.27 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.11 2w3r h VAL 206 CO 0.13 0.45 -0.20 0.00 0.02 0.00 0.00 177.57 177.96 2w3r h ALA 207 N 0.89 -0.48 -0.90 1.67 0.00 -1.16 -1.26 119.26 118.03 2w3r h ALA 207 Ca 0.12 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.99 2w3r h ALA 207 Cb 0.70 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2w3r h ALA 207 CO 0.05 -0.78 0.59 0.45 0.00 0.00 0.00 179.25 179.56 2w3r h HIS 208 N -0.49 1.06 0.00 0.00 -0.00 -1.60 0.24 115.15 114.36 2w3r h HIS 208 Ca -0.03 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 2w3r h HIS 208 Cb 0.42 -0.35 -0.00 0.00 -0.00 0.00 0.00 27.41 27.48 2w3r h HIS 208 CO -0.11 0.59 -0.09 0.00 -0.00 0.00 0.00 177.93 178.32 2w3r h ALA 209 N 1.49 1.22 -0.01 2.45 0.00 -1.04 -2.89 119.26 120.49 2w3r h ALA 209 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2w3r h ALA 209 Cb 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2w3r h ALA 209 CO -0.13 0.12 -0.17 1.28 0.00 0.00 0.00 179.25 180.35 2w3r n LEU 210 N -3.51 1.24 -0.74 0.00 4.77 -0.53 -3.99 117.00 114.24 2w3r n LEU 210 Ca -0.02 -0.79 -0.08 0.00 -0.03 0.00 0.00 56.01 55.09 2w3r n LEU 210 Cb 0.23 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.30 2w3r n LEU 210 CO 0.29 0.25 -0.09 0.61 -1.33 0.00 0.00 177.39 177.12 2w3r n GLY 211 N 0.83 0.50 3.83 -0.72 0.00 0.72 -4.94 105.19 105.41 2w3r n GLY 211 Ca 0.04 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 2w3r n GLY 211 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2w3r s LEU 212 N -1.99 3.92 0.61 0.99 1.43 -0.64 -5.02 118.68 117.98 2w3r s LEU 212 Ca 0.00 -0.05 -0.18 0.00 -1.03 0.00 0.00 54.13 52.87 2w3r s LEU 212 Cb 0.00 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2w3r s LEU 212 CO 0.00 0.08 1.16 0.00 0.23 0.00 0.00 176.35 177.82 2w3r s ALA 213 N -1.70 2.53 0.47 4.21 0.00 -1.26 -4.36 121.76 121.66 2w3r s ALA 213 Ca 0.31 0.82 0.20 0.00 0.00 0.00 0.00 51.96 53.30 2w3r s ALA 213 Cb -0.11 -3.39 1.21 0.00 0.00 0.00 0.00 23.12 20.84 2w3r s ALA 213 CO 0.24 -1.13 1.95 0.74 0.00 0.00 0.00 175.76 177.56 2w3r h PHE 214 N 0.67 0.26 0.00 0.00 -1.00 -1.94 0.13 116.94 115.06 2w3r h PHE 214 Ca -0.49 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.30 2w3r h PHE 214 Cb 1.27 -0.08 0.00 0.00 3.61 0.00 0.00 35.95 40.75 2w3r h PHE 214 CO 0.50 0.10 0.00 -2.39 -1.61 0.00 0.00 178.31 174.91 2w3r n HIS 215 N -4.43 0.00 0.29 -0.55 1.44 -1.26 -2.28 115.22 108.44 2w3r n HIS 215 Ca 0.12 0.00 0.09 0.00 -2.01 0.00 0.00 57.72 55.93 2w3r n HIS 215 Cb 0.58 0.00 0.16 0.00 0.12 0.00 0.00 29.99 30.84 2w3r n HIS 215 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2w3r n ASP 216 N -0.93 2.99 -3.97 4.39 8.00 0.03 -4.93 116.55 122.14 2w3r n ASP 216 Ca 0.13 -1.87 -0.27 0.00 0.71 0.00 0.00 54.79 53.49 2w3r n ASP 216 Cb 0.06 -0.17 -0.17 0.00 -0.02 0.00 0.00 41.12 40.82 2w3r n ASP 216 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2w3r s VAL 217 N -1.30 1.16 -0.08 2.53 1.01 -0.96 -1.38 120.40 121.38 2w3r s VAL 217 Ca 0.29 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.90 2w3r s VAL 217 Cb 0.17 -1.12 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 2w3r s VAL 217 CO 0.24 0.38 -0.23 -0.60 0.00 0.00 0.00 175.10 174.90 2w3r s ARG 218 N 1.31 2.67 -0.17 2.72 3.52 -0.73 -4.92 118.95 123.35 2w3r s ARG 218 Ca -0.02 -0.83 0.01 0.00 -0.13 0.00 0.00 55.73 54.76 2w3r s ARG 218 Cb -0.14 -2.12 0.01 0.00 -1.56 0.00 0.00 34.95 31.15 2w3r s ARG 218 CO -0.04 0.24 -0.19 0.08 -0.81 0.00 0.00 175.30 174.58 2w3r s VAL 219 N 0.18 2.28 -0.13 7.11 1.01 -1.26 0.79 120.40 130.37 2w3r s VAL 219 Ca -0.12 -0.89 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 2w3r s VAL 219 Cb -0.16 -1.95 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2w3r s VAL 219 CO 0.06 0.53 -0.05 -1.61 0.00 0.00 0.00 175.10 174.03 2w3r s GLU 220 N 1.06 3.41 -0.24 2.72 2.02 0.17 -2.67 118.70 125.16 2w3r s GLU 220 Ca -0.01 -0.54 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2w3r s GLU 220 Cb -0.14 -2.81 0.12 0.00 0.10 0.00 0.00 34.13 31.40 2w3r s GLU 220 CO -0.06 0.36 0.33 1.41 0.02 0.00 0.00 175.26 177.31 2w3r s MET 221 N 0.04 0.31 -0.21 1.61 -2.45 0.59 -3.62 119.30 115.56 2w3r s MET 221 Ca -0.00 0.34 -0.18 0.00 -1.25 0.00 0.00 55.69 54.60 2w3r s MET 221 Cb -0.14 -0.68 -0.18 0.00 1.25 0.00 0.00 34.83 35.08 2w3r s MET 221 CO 0.03 -0.72 0.11 -2.13 1.05 0.00 0.00 175.02 173.37 2w3r n ARG 222 N 5.35 0.59 -3.50 4.11 3.00 -1.26 -0.25 116.66 124.70 2w3r n ARG 222 Ca -0.04 0.48 -0.16 0.00 -0.00 0.00 0.00 57.85 58.13 2w3r n ARG 222 Cb 0.50 -1.69 -0.05 0.00 0.00 0.00 0.00 32.46 31.22 2w3r n ARG 222 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 2w3r s ARG 223 N -2.41 1.12 -0.10 -0.14 1.70 -1.26 -4.51 118.95 113.34 2w3r s ARG 223 Ca -0.30 0.01 0.01 0.00 -0.47 0.00 0.00 55.73 54.98 2w3r s ARG 223 Cb 0.08 0.52 -0.02 0.00 -0.57 0.00 0.00 34.95 34.96 2w3r s ARG 223 CO 0.59 -0.40 -0.13 -1.64 -1.08 0.00 0.00 175.30 172.65 2w3r s MET 224 N -2.02 3.05 -1.14 3.89 -1.94 0.23 -4.74 119.30 116.62 2w3r s MET 224 Ca -0.07 -0.67 -0.08 0.00 -1.71 0.00 0.00 55.69 53.16 2w3r s MET 224 Cb -0.00 -2.55 -0.06 0.00 2.01 0.00 0.00 34.83 34.22 2w3r s MET 224 CO 0.02 0.39 2.37 0.41 -0.01 0.00 0.00 175.02 178.20 2w3r n GLY 225 N 3.02 3.48 0.00 -0.03 0.00 -1.26 -4.22 105.19 106.17 2w3r n GLY 225 Ca -0.18 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2w3r n GLY 225 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLY 226 N 3.74 -1.28 1.99 -0.02 0.00 -1.20 -1.83 105.19 106.58 2w3r n GLY 226 Ca 0.55 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 45.14 2w3r n GLY 226 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLY 227 N -0.43 -0.18 2.77 -0.02 0.00 -1.26 -4.79 105.19 101.28 2w3r n GLY 227 Ca 0.00 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 2w3r n GLY 227 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2w3r n PHE 228 N -2.49 0.00 0.00 1.61 3.01 -1.26 -0.39 117.46 117.93 2w3r n PHE 228 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 2w3r n PHE 228 Cb 0.00 -2.86 0.00 0.00 -0.01 0.00 0.00 39.48 36.61 2w3r n PHE 228 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2w3r n GLY 229 N 0.17 2.87 0.00 1.37 0.00 -1.26 -0.08 105.19 108.26 2w3r n GLY 229 Ca -0.12 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.02 2w3r n GLY 229 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLY 230 N -0.86 -0.82 0.09 -0.02 0.00 0.47 -2.30 105.19 101.75 2w3r n GLY 230 Ca 0.00 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 45.97 2w3r n GLY 230 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2w3r n LYS 231 N -1.05 1.31 0.08 1.61 5.02 -1.22 -4.16 118.16 119.75 2w3r n LYS 231 Ca 0.17 -2.59 -0.11 0.00 -2.02 0.00 0.00 58.31 53.76 2w3r n LYS 231 Cb 0.10 -1.51 -0.09 0.00 -0.02 0.00 0.00 35.03 33.51 2w3r n LYS 231 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 2w3r h GLU 232 N 0.04 0.17 0.00 1.97 4.81 -1.80 0.21 114.58 119.97 2w3r h GLU 232 Ca 0.00 -0.25 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 2w3r h GLU 232 Cb 1.01 0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2w3r h GLU 232 CO 0.00 1.07 -0.12 -1.13 -0.73 0.00 0.00 179.01 178.11 2w3r n SER 233 N -3.52 0.56 -0.48 1.04 3.41 -1.26 -4.53 113.62 108.84 2w3r n SER 233 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.57 2w3r n SER 233 Cb 0.93 0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.93 2w3r n SER 233 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2w3r n GLN 234 N -0.81 0.50 -0.09 4.33 1.13 -1.26 -2.17 117.38 119.01 2w3r n GLN 234 Ca 0.00 0.00 -0.09 0.00 -1.94 0.00 0.00 57.00 54.97 2w3r n GLN 234 Cb 0.06 -1.24 -0.15 0.00 0.11 0.00 0.00 30.24 29.02 2w3r n GLN 234 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2w3r n GLY 235 N 0.24 -0.95 0.29 1.08 0.00 -1.26 -4.62 105.19 99.97 2w3r n GLY 235 Ca 0.00 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.78 2w3r n GLY 235 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2w3r h ASN 236 N 0.00 -0.16 -0.38 1.61 -0.26 -1.75 -2.42 115.58 112.22 2w3r h ASN 236 Ca -0.52 0.19 0.04 0.00 -0.56 0.00 0.00 56.30 55.45 2w3r h ASN 236 Cb 2.17 0.30 -0.04 0.00 -1.06 0.00 0.00 38.32 39.69 2w3r h ASN 236 CO 0.03 -0.15 0.16 0.45 -1.06 0.00 0.00 177.43 176.86 2w3r h HIS 237 N 0.17 0.30 -0.34 1.19 3.86 -1.82 0.18 115.15 118.70 2w3r h HIS 237 Ca 0.48 0.02 -0.10 0.00 -1.16 0.00 0.00 60.37 59.61 2w3r h HIS 237 Cb 0.90 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 29.28 2w3r h HIS 237 CO -0.34 0.14 -0.16 -0.07 0.86 0.00 0.00 177.93 178.36 2w3r h LEU 238 N 0.34 0.73 -0.43 2.43 4.07 -1.75 -0.42 115.31 120.28 2w3r h LEU 238 Ca 0.17 -0.41 -0.08 0.00 0.08 0.00 0.00 57.88 57.64 2w3r h LEU 238 Cb 0.11 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.63 2w3r h LEU 238 CO -0.14 0.97 -0.03 0.00 -1.08 0.00 0.00 178.44 178.15 2w3r h ALA 239 N 0.78 0.58 -0.20 1.53 0.00 -1.26 0.63 119.26 121.32 2w3r h ALA 239 Ca 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 2w3r h ALA 239 Cb 0.70 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2w3r h ALA 239 CO 0.05 0.40 0.11 0.82 0.00 0.00 0.00 179.25 180.63 2w3r h ILE 240 N 0.61 1.09 -0.79 0.00 2.04 -0.69 -0.72 117.51 119.06 2w3r h ILE 240 Ca 0.12 -0.24 0.05 0.00 1.00 0.00 0.00 64.86 65.78 2w3r h ILE 240 Cb 0.54 0.90 -0.06 0.00 -0.74 0.00 0.00 36.82 37.46 2w3r h ILE 240 CO 0.03 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.75 2w3r h ALA 241 N 1.01 1.07 -0.01 1.87 0.00 -0.62 -1.43 119.26 121.15 2w3r h ALA 241 Ca 0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 2w3r h ALA 241 Cb 0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2w3r h ALA 241 CO -0.01 0.23 -0.01 0.00 0.00 0.00 0.00 179.25 179.46 2w3r h ALA 243 N 0.59 0.30 -0.16 0.00 0.00 -1.00 0.76 119.26 119.76 2w3r h ALA 243 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2w3r h ALA 243 Cb 0.43 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2w3r h ALA 243 CO 0.00 -0.13 0.05 0.28 0.00 0.00 0.00 179.25 179.45 2w3r h VAL 244 N 0.24 0.95 -0.61 0.00 2.07 -1.33 0.24 116.25 117.82 2w3r h VAL 244 Ca 0.08 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 2w3r h VAL 244 Cb 0.13 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2w3r h VAL 244 CO -0.01 0.02 0.29 0.00 0.02 0.00 0.00 177.57 177.89 2w3r h ALA 245 N 1.10 0.78 -0.28 1.67 0.00 -1.28 -2.27 119.26 118.98 2w3r h ALA 245 Ca 0.07 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.86 2w3r h ALA 245 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2w3r h ALA 245 CO -0.08 0.35 0.13 0.00 0.00 0.00 0.00 179.25 179.66 2w3r h ALA 246 N 1.12 0.34 -0.45 0.00 0.00 -0.52 0.11 119.26 119.85 2w3r h ALA 246 Ca 0.21 0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.22 2w3r h ALA 246 Cb 0.13 -0.03 -0.09 0.00 0.00 0.00 0.00 17.79 17.80 2w3r h ALA 246 CO -0.03 -0.26 -0.15 -0.09 0.00 0.00 0.00 179.25 178.73 2w3r h ARG 247 N 0.28 -0.04 0.02 0.00 2.43 -0.26 -1.39 114.38 115.42 2w3r h ARG 247 Ca 0.12 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 2w3r h ARG 247 Cb 0.05 0.01 0.01 0.00 -0.42 0.00 0.00 29.97 29.62 2w3r h ARG 247 CO -0.09 -0.03 -0.50 0.00 -1.51 0.00 0.00 179.97 177.85 2w3r h ALA 248 N 1.36 0.03 0.00 2.80 0.00 -1.05 -3.32 119.26 119.09 2w3r h ALA 248 Ca 0.22 -0.55 -0.13 0.00 0.00 0.00 0.00 54.91 54.45 2w3r h ALA 248 Cb 0.38 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2w3r h ALA 248 CO -0.49 0.26 -0.62 1.79 0.00 0.00 0.00 179.25 180.19 2w3r h THR 249 N -0.31 1.42 0.00 0.00 1.35 -0.78 -3.46 112.91 111.13 2w3r h THR 249 Ca -0.07 -2.14 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2w3r h THR 249 Cb 1.25 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 2w3r h THR 249 CO 0.10 0.61 0.00 0.61 -0.25 0.00 0.00 175.52 176.58 2w3r n GLY 250 N 0.30 1.22 3.83 5.82 0.00 -0.53 -5.05 105.19 110.78 2w3r n GLY 250 Ca -0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2w3r n GLY 250 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3r s ARG 251 N -0.31 2.81 0.24 1.61 0.52 -1.24 -4.97 118.95 117.62 2w3r s ARG 251 Ca 0.00 -1.18 -0.30 0.00 -0.52 0.00 0.00 55.73 53.73 2w3r s ARG 251 Cb 0.00 -2.51 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2w3r s ARG 251 CO 0.00 0.25 1.20 -2.14 0.02 0.00 0.00 175.30 174.63 2w3r s PRO 252 N -3.91 4.50 -0.11 3.54 0.02 -1.26 -4.35 135.00 133.43 2w3r s PRO 252 Ca 0.37 1.93 0.03 0.00 0.02 0.00 0.00 61.00 63.35 2w3r s PRO 252 Cb -0.07 -3.19 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2w3r s PRO 252 CO 0.26 -0.03 -0.22 0.00 -0.33 0.00 0.00 177.00 176.68 2w3r s LYS 254 N 0.54 2.53 -0.02 0.00 2.20 -0.25 -1.12 119.74 123.62 2w3r s LYS 254 Ca -0.15 -0.72 0.00 0.00 -0.36 0.00 0.00 55.97 54.74 2w3r s LYS 254 Cb -0.17 -2.48 0.02 0.00 -1.51 0.00 0.00 37.83 33.69 2w3r s LYS 254 CO 0.05 0.61 0.02 1.41 -0.36 0.00 0.00 175.35 177.08 2w3r s MET 255 N -1.31 -0.01 0.00 4.03 1.75 -0.37 -1.67 119.30 121.72 2w3r s MET 255 Ca 0.16 0.14 -0.00 0.00 -1.25 0.00 0.00 55.69 54.74 2w3r s MET 255 Cb -0.11 -0.21 -0.00 0.00 2.84 0.00 0.00 34.83 37.35 2w3r s MET 255 CO 0.06 -0.13 0.00 -0.98 -0.65 0.00 0.00 175.02 173.33 2w3r s ARG 256 N 0.83 0.04 -0.26 4.11 1.70 -1.26 -0.47 118.95 123.64 2w3r s ARG 256 Ca -0.07 -0.07 -0.29 0.00 -0.47 0.00 0.00 55.73 54.83 2w3r s ARG 256 Cb -0.10 0.02 0.01 0.00 -0.57 0.00 0.00 34.95 34.31 2w3r s ARG 256 CO -0.02 -0.01 1.04 0.71 -1.08 0.00 0.00 175.30 175.94 2w3r s TYR 257 N -0.17 3.28 0.45 5.89 4.12 -0.69 -4.98 117.35 125.25 2w3r s TYR 257 Ca -0.02 1.37 -0.24 0.00 0.02 0.00 0.00 57.07 58.20 2w3r s TYR 257 Cb -0.01 -3.39 -0.09 0.00 -1.52 0.00 0.00 41.96 36.95 2w3r s TYR 257 CO -0.00 -0.56 1.21 -3.47 0.02 0.00 0.00 175.55 172.74 2w3r n ASP 258 N 6.48 2.19 -0.27 2.29 -0.08 -1.26 -4.65 116.55 121.25 2w3r n ASP 258 Ca 0.12 1.05 0.08 0.00 -1.51 0.00 0.00 54.79 54.53 2w3r n ASP 258 Cb 0.46 -1.48 0.21 0.00 2.34 0.00 0.00 41.12 42.66 2w3r n ASP 258 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2w3r h ARG 259 N 1.76 0.20 -0.43 -0.67 9.65 -1.96 -0.39 114.38 122.55 2w3r h ARG 259 Ca -0.48 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.40 2w3r h ARG 259 Cb 1.31 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 2w3r h ARG 259 CO 0.58 0.13 0.28 -0.44 2.80 0.00 0.00 179.97 183.32 2w3r h ASP 260 N 0.21 0.47 0.05 -3.80 3.45 -1.90 -1.08 116.42 113.82 2w3r h ASP 260 Ca 0.46 -0.01 0.02 0.00 0.43 0.00 0.00 57.03 57.93 2w3r h ASP 260 Cb 0.86 -0.11 -0.03 0.00 -0.56 0.00 0.00 39.33 39.49 2w3r h ASP 260 CO -0.60 0.34 -0.16 0.44 -1.57 0.00 0.00 179.24 177.69 2w3r h ASP 261 N 0.56 -0.44 -0.60 6.45 3.32 -1.45 -2.34 116.42 121.92 2w3r h ASP 261 Ca 0.16 0.06 0.12 0.00 0.02 0.00 0.00 57.03 57.39 2w3r h ASP 261 Cb -0.05 0.18 -0.11 0.00 0.22 0.00 0.00 39.33 39.57 2w3r h ASP 261 CO -0.04 -0.22 -0.09 -0.78 -1.72 0.00 0.00 179.24 176.38 2w3r h ASP 262 N -0.28 -0.44 -0.28 6.45 3.58 -0.81 0.33 116.42 124.97 2w3r h ASP 262 Ca 0.04 0.17 -0.12 0.00 0.42 0.00 0.00 57.03 57.54 2w3r h ASP 262 Cb 0.32 0.33 -0.01 0.00 1.72 0.00 0.00 39.33 41.69 2w3r h ASP 262 CO -0.12 -0.17 -0.24 0.24 -2.88 0.00 0.00 179.24 176.08 2w3r h MET 263 N 0.04 0.76 -0.04 0.28 2.86 -1.09 -1.06 114.93 116.69 2w3r h MET 263 Ca 0.30 -0.32 -0.05 0.00 -2.06 0.00 0.00 59.70 57.57 2w3r h MET 263 Cb 0.47 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 32.10 2w3r h MET 263 CO -0.58 0.93 -0.19 0.28 1.06 0.00 0.00 176.91 178.41 2w3r h VAL 264 N 0.66 1.48 0.46 -2.22 2.07 -0.78 -3.39 116.25 114.53 2w3r h VAL 264 Ca 0.09 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.91 2w3r h VAL 264 Cb 0.75 2.47 0.00 0.00 -1.52 0.00 0.00 31.29 32.99 2w3r h VAL 264 CO 0.06 0.46 -0.22 0.40 0.02 0.00 0.00 177.57 178.29 2w3r h ILE 265 N -0.39 0.00 -4.24 4.57 2.04 -0.36 -3.46 117.51 115.68 2w3r h ILE 265 Ca -0.01 -0.45 -0.52 0.00 1.00 0.00 0.00 64.86 64.88 2w3r h ILE 265 Cb 0.85 0.00 0.13 0.00 -0.74 0.00 0.00 36.82 37.06 2w3r h ILE 265 CO 0.04 0.00 0.34 0.42 0.00 0.00 0.00 178.15 178.95 2w3r s THR 266 N -3.59 2.96 1.06 -0.27 -4.23 -0.41 -4.76 115.64 106.40 2w3r s THR 266 Ca -0.09 0.39 -0.18 0.00 -1.18 0.00 0.00 61.69 60.63 2w3r s THR 266 Cb 0.01 -2.84 0.24 0.00 1.34 0.00 0.00 72.50 71.25 2w3r s THR 266 CO 0.27 -0.33 1.27 -0.83 -0.54 0.00 0.00 174.62 174.46 2w3r s GLY 267 N -2.76 1.74 0.01 3.99 0.00 -1.26 -4.85 107.32 104.19 2w3r s GLY 267 Ca 0.66 -1.20 0.00 0.00 0.00 0.00 0.00 44.72 44.18 2w3r s GLY 267 CO 0.49 -0.36 0.01 0.28 0.00 0.00 0.00 173.10 173.52 2w3r n LYS 268 N -4.16 0.15 -2.11 2.90 4.01 -1.26 -4.77 118.16 112.92 2w3r n LYS 268 Ca 0.16 -0.10 -0.41 0.00 -0.51 0.00 0.00 58.31 57.44 2w3r n LYS 268 Cb 0.59 0.08 -0.03 0.00 -0.51 0.00 0.00 35.03 35.17 2w3r n LYS 268 CO 0.00 0.00 0.00 0.50 -1.11 0.00 0.00 177.40 176.79 2w3r s ARG 269 N -2.04 4.33 -0.20 1.97 3.52 -0.45 -1.40 118.95 124.67 2w3r s ARG 269 Ca 0.01 2.18 -0.29 0.00 -0.13 0.00 0.00 55.73 57.50 2w3r s ARG 269 Cb 0.00 -3.15 -0.07 0.00 -1.56 0.00 0.00 34.95 30.18 2w3r s ARG 269 CO 0.01 -0.33 2.18 0.72 -0.81 0.00 0.00 175.30 177.07 2w3r n HIS 270 N 2.43 1.99 -2.74 5.12 8.25 -1.26 -3.99 115.22 125.02 2w3r n HIS 270 Ca 0.06 -0.10 -0.38 0.00 -0.26 0.00 0.00 57.72 57.04 2w3r n HIS 270 Cb 0.41 -2.71 -0.06 0.00 1.12 0.00 0.00 29.99 28.75 2w3r n HIS 270 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2w3r s ASP 271 N 7.65 7.43 0.20 0.41 -4.77 -1.26 -4.83 116.67 121.50 2w3r s ASP 271 Ca 1.00 1.91 0.11 0.00 -3.30 0.00 0.00 52.55 52.27 2w3r s ASP 271 Cb -0.42 -2.59 -0.04 0.00 -1.09 0.00 0.00 42.92 38.77 2w3r s ASP 271 CO 0.38 -0.00 -0.22 -0.36 0.70 0.00 0.00 175.17 175.68 2w3r s PHE 272 N -1.42 2.15 -0.13 2.11 0.08 0.36 -1.56 117.98 119.56 2w3r s PHE 272 Ca 0.47 -0.39 0.01 0.00 0.12 0.00 0.00 56.93 57.13 2w3r s PHE 272 Cb -0.22 -1.04 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2w3r s PHE 272 CO 0.28 0.48 -0.14 0.50 -0.10 0.00 0.00 175.22 176.24 2w3r s ARG 273 N -2.85 2.25 -0.14 0.44 3.52 -0.09 0.47 118.95 122.55 2w3r s ARG 273 Ca 0.21 -0.55 -0.01 0.00 -0.13 0.00 0.00 55.73 55.25 2w3r s ARG 273 Cb -0.07 -2.01 -0.02 0.00 -1.56 0.00 0.00 34.95 31.29 2w3r s ARG 273 CO 0.10 -0.17 -0.12 0.42 -0.81 0.00 0.00 175.30 174.72 2w3r s ILE 274 N 1.31 3.15 -0.16 4.11 1.01 -0.86 -1.36 121.20 128.39 2w3r s ILE 274 Ca 0.01 -0.62 -0.06 0.00 0.00 0.00 0.00 60.65 59.97 2w3r s ILE 274 Cb -0.14 -2.33 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 2w3r s ILE 274 CO -0.07 0.52 0.05 -0.60 0.00 0.00 0.00 174.94 174.83 2w3r s ARG 275 N 0.40 3.76 0.02 2.79 3.52 -0.71 -2.18 118.95 126.55 2w3r s ARG 275 Ca -0.09 -0.35 0.04 0.00 -0.13 0.00 0.00 55.73 55.20 2w3r s ARG 275 Cb -0.16 -3.12 -0.02 0.00 -1.56 0.00 0.00 34.95 30.10 2w3r s ARG 275 CO 0.05 0.38 -0.13 1.52 -0.81 0.00 0.00 175.30 176.30 2w3r s TYR 276 N 0.06 1.17 -0.16 5.12 -0.85 -0.15 -1.22 117.35 121.33 2w3r s TYR 276 Ca 0.05 -0.31 -0.02 0.00 -0.52 0.00 0.00 57.07 56.27 2w3r s TYR 276 Cb -0.12 -0.71 0.05 0.00 0.38 0.00 0.00 41.96 41.55 2w3r s TYR 276 CO 0.01 0.02 -0.00 1.03 -1.52 0.00 0.00 175.55 175.08 2w3r s ARG 277 N -0.90 0.92 -0.03 -3.49 0.52 -0.55 -2.11 118.95 113.30 2w3r s ARG 277 Ca 0.02 -0.35 0.07 0.00 -0.52 0.00 0.00 55.73 54.95 2w3r s ARG 277 Cb -0.07 -1.84 -0.02 0.00 0.52 0.00 0.00 34.95 33.54 2w3r s ARG 277 CO 0.01 -0.50 -0.25 -1.50 0.02 0.00 0.00 175.30 173.08 2w3r s ILE 278 N 1.80 1.97 -0.02 1.52 2.07 -0.09 -0.31 121.20 128.14 2w3r s ILE 278 Ca 0.01 -1.05 0.05 0.00 -1.41 0.00 0.00 60.65 58.24 2w3r s ILE 278 Cb -0.15 -1.65 -0.01 0.00 0.13 0.00 0.00 42.46 40.78 2w3r s ILE 278 CO -0.07 0.56 -0.16 -0.83 -1.91 0.00 0.00 174.94 172.52 2w3r s GLY 279 N -0.43 0.80 0.00 1.50 0.00 0.05 -0.92 107.32 108.32 2w3r s GLY 279 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 44.72 44.09 2w3r s GLY 279 CO 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 173.10 172.60 2w3r n ALA 280 N 2.81 0.00 -2.40 3.20 0.00 0.11 0.46 120.51 124.69 2w3r n ALA 280 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.08 2w3r n ALA 280 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.89 2w3r n ALA 280 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2w3r s ASP 281 N -0.29 2.82 0.24 0.00 -1.08 -0.29 -3.10 116.67 114.97 2w3r s ASP 281 Ca 0.00 -1.09 -0.05 0.00 -0.52 0.00 0.00 52.55 50.89 2w3r s ASP 281 Cb 0.00 -0.18 0.37 0.00 -1.46 0.00 0.00 42.92 41.65 2w3r s ASP 281 CO 0.00 -0.20 1.83 0.00 0.52 0.00 0.00 175.17 177.31 2w3r h ALA 282 N 2.40 1.17 -0.17 3.66 0.00 -1.96 -1.05 119.26 123.31 2w3r h ALA 282 Ca -0.39 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.43 2w3r h ALA 282 Cb 1.23 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2w3r h ALA 282 CO 0.64 0.16 -0.35 0.66 0.00 0.00 0.00 179.25 180.36 2w3r h SER 283 N 0.85 0.38 0.00 0.00 4.64 -2.05 -3.47 113.55 113.90 2w3r h SER 283 Ca 0.39 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2w3r h SER 283 Cb 0.29 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2w3r h SER 283 CO -0.22 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.06 2w3r n GLY 284 N -0.24 1.33 3.76 -0.77 0.00 -0.40 -5.11 105.19 103.76 2w3r n GLY 284 Ca -0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2w3r n GLY 284 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3r s LYS 285 N -0.01 4.30 0.39 1.61 -0.14 -1.26 -4.35 119.74 120.28 2w3r s LYS 285 Ca 0.00 2.28 -0.27 0.00 -1.36 0.00 0.00 55.97 56.62 2w3r s LYS 285 Cb 0.00 -3.08 -0.09 0.00 -1.68 0.00 0.00 37.83 32.98 2w3r s LYS 285 CO 0.00 -0.31 1.33 -0.51 -0.76 0.00 0.00 175.35 175.10 2w3r s LEU 286 N -1.25 4.26 -0.19 3.17 1.43 -1.26 -1.14 118.68 123.70 2w3r s LEU 286 Ca 0.53 2.72 -0.09 0.00 -1.03 0.00 0.00 54.13 56.26 2w3r s LEU 286 Cb -0.41 -3.83 -0.09 0.00 0.03 0.00 0.00 46.19 41.89 2w3r s LEU 286 CO 0.50 -0.81 -0.24 0.18 0.23 0.00 0.00 176.35 176.21 2w3r n LEU 287 N 0.28 1.49 -3.62 1.79 4.77 0.17 -4.50 117.00 117.38 2w3r n LEU 287 Ca 0.03 0.21 -0.14 0.00 -0.03 0.00 0.00 56.01 56.08 2w3r n LEU 287 Cb 0.43 -0.57 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 2w3r n LEU 287 CO 0.57 0.43 0.23 -0.83 -1.33 0.00 0.00 177.39 176.47 2w3r s GLY 288 N -5.38 -0.37 -0.05 -0.72 0.00 -1.17 -3.08 107.32 96.55 2w3r s GLY 288 Ca -0.27 0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.99 2w3r s GLY 288 CO 0.35 0.27 0.02 0.00 0.00 0.00 0.00 173.10 173.73 2w3r s ALA 289 N -2.22 0.46 -0.27 3.20 0.00 -0.93 -0.77 121.76 121.22 2w3r s ALA 289 Ca -0.07 0.04 -0.00 0.00 0.00 0.00 0.00 51.96 51.93 2w3r s ALA 289 Cb -0.01 -0.60 0.05 0.00 0.00 0.00 0.00 23.12 22.55 2w3r s ALA 289 CO -0.00 -0.37 -0.05 0.34 0.00 0.00 0.00 175.76 175.68 2w3r s ASP 290 N 1.79 4.56 -0.07 0.00 2.15 0.58 -1.99 116.67 123.70 2w3r s ASP 290 Ca 0.01 -1.18 0.01 0.00 0.43 0.00 0.00 52.55 51.83 2w3r s ASP 290 Cb -0.13 -1.65 -0.03 0.00 -0.30 0.00 0.00 42.92 40.82 2w3r s ASP 290 CO -0.04 -0.20 -0.09 -0.36 -0.17 0.00 0.00 175.17 174.31 2w3r s PHE 291 N 1.23 2.86 -0.20 -5.34 0.40 0.32 -1.49 117.98 115.77 2w3r s PHE 291 Ca -0.04 -0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.21 2w3r s PHE 291 Cb -0.19 -1.70 0.04 0.00 0.51 0.00 0.00 43.02 41.67 2w3r s PHE 291 CO -0.03 0.24 -0.14 0.08 0.70 0.00 0.00 175.22 176.07 2w3r s VAL 292 N -0.67 1.84 -0.31 -0.44 1.01 -0.36 -0.79 120.40 120.69 2w3r s VAL 292 Ca 0.10 -1.03 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2w3r s VAL 292 Cb -0.11 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2w3r s VAL 292 CO 0.01 0.29 0.24 -1.00 0.00 0.00 0.00 175.10 174.65 2w3r s HIS 293 N 1.33 3.22 -0.38 5.22 3.76 0.57 -1.74 115.29 127.27 2w3r s HIS 293 Ca 0.00 -0.00 -0.07 0.00 -0.15 0.00 0.00 55.06 54.85 2w3r s HIS 293 Cb -0.15 -2.46 0.07 0.00 1.11 0.00 0.00 32.58 31.15 2w3r s HIS 293 CO -0.10 -0.27 0.18 -0.51 -0.85 0.00 0.00 174.74 173.20 2w3r s LEU 294 N 1.79 4.81 -0.15 0.89 1.43 -0.46 0.20 118.68 127.19 2w3r s LEU 294 Ca 0.08 -1.47 -0.02 0.00 -1.03 0.00 0.00 54.13 51.69 2w3r s LEU 294 Cb -0.17 -1.90 -0.02 0.00 0.03 0.00 0.00 46.19 44.14 2w3r s LEU 294 CO 0.11 -0.45 -0.09 0.00 0.23 0.00 0.00 176.35 176.15 2w3r s ALA 295 N 1.35 2.78 -0.43 4.21 0.00 -0.52 -0.91 121.76 128.24 2w3r s ALA 295 Ca 0.02 -0.90 -0.25 0.00 0.00 0.00 0.00 51.96 50.82 2w3r s ALA 295 Cb -0.22 -1.40 0.02 0.00 0.00 0.00 0.00 23.12 21.53 2w3r s ALA 295 CO 0.01 0.15 0.91 0.50 0.00 0.00 0.00 175.76 177.33 2w3r s ARG 296 N 0.50 3.64 -0.12 0.00 3.52 -0.60 -1.47 118.95 124.42 2w3r s ARG 296 Ca -0.06 0.29 0.16 0.00 -0.13 0.00 0.00 55.73 55.98 2w3r s ARG 296 Cb -0.15 -3.88 -0.24 0.00 -1.56 0.00 0.00 34.95 29.12 2w3r s ARG 296 CO 0.04 -1.11 0.36 0.00 -0.81 0.00 0.00 175.30 173.78 2w3r n GLY 298 N 1.63 -2.45 0.20 0.00 0.00 -1.25 -0.12 105.19 103.20 2w3r n GLY 298 Ca -0.24 -1.73 0.03 0.00 0.00 0.00 0.00 46.02 44.09 2w3r n GLY 298 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 2w3r h TRP 299 N 0.00 0.02 -2.03 1.61 5.08 0.47 -3.22 115.95 117.88 2w3r h TRP 299 Ca 0.00 -0.00 -0.57 0.00 1.08 0.00 0.00 58.89 59.40 2w3r h TRP 299 Cb 0.00 -0.01 -0.10 0.00 -3.00 0.00 0.00 29.16 26.05 2w3r h TRP 299 CO 0.00 0.30 -0.63 0.45 -1.28 0.00 0.00 178.44 177.29 2w3r s SER 300 N -6.96 4.33 -0.01 0.11 0.15 -1.26 -4.93 113.70 105.13 2w3r s SER 300 Ca -0.03 -0.84 -0.25 0.00 0.70 0.00 0.00 55.95 55.52 2w3r s SER 300 Cb 0.15 -0.65 -0.19 0.00 -1.71 0.00 0.00 66.02 63.62 2w3r s SER 300 CO 0.72 -0.14 1.26 0.00 1.20 0.00 0.00 173.24 176.27 2w3r h ALA 301 N 1.83 -0.11 -0.62 5.45 0.00 -1.89 -3.43 119.26 120.49 2w3r h ALA 301 Ca -0.43 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.27 2w3r h ALA 301 Cb 1.25 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2w3r h ALA 301 CO 0.63 -0.34 0.00 -3.47 0.00 0.00 0.00 179.25 176.07 2w3r n ASP 302 N -4.94 0.00 -0.92 0.00 -0.08 -1.26 -1.05 116.55 108.30 2w3r n ASP 302 Ca -0.08 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 2w3r n ASP 302 Cb 0.24 0.00 0.20 0.00 2.34 0.00 0.00 41.12 43.90 2w3r n ASP 302 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 2w3r n LEU 303 N 0.00 3.58 -0.22 -2.67 4.77 -1.26 -3.60 117.00 117.60 2w3r n LEU 303 Ca 0.00 -3.74 -0.08 0.00 -0.03 0.00 0.00 56.01 52.15 2w3r n LEU 303 Cb 0.00 -0.59 0.03 0.00 -2.33 0.00 0.00 43.42 40.53 2w3r n LEU 303 CO 0.00 1.25 0.89 0.28 -1.33 0.00 0.00 177.39 178.48 2w3r h SER 304 N 0.99 0.97 -0.05 -1.43 0.02 -1.33 -1.79 113.55 110.94 2w3r h SER 304 Ca 0.13 -0.26 0.03 0.00 -0.84 0.00 0.00 61.79 60.86 2w3r h SER 304 Cb 1.41 -0.26 -0.04 0.00 0.14 0.00 0.00 62.40 63.65 2w3r h SER 304 CO 0.24 0.98 -0.18 0.25 -1.14 0.00 0.00 176.83 176.98 2w3r h LEU 305 N 0.93 -0.55 -0.59 5.07 6.46 -1.86 -2.15 115.31 122.62 2w3r h LEU 305 Ca 0.19 0.09 -0.13 0.00 -0.12 0.00 0.00 57.88 57.90 2w3r h LEU 305 Cb 0.42 0.24 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 2w3r h LEU 305 CO 0.01 -0.24 -0.62 1.55 -0.62 0.00 0.00 178.44 178.52 2w3r h PRO 306 N -0.28 0.00 0.33 5.25 0.13 -1.93 -2.78 132.00 132.73 2w3r h PRO 306 Ca 0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.19 2w3r h PRO 306 Cb 0.37 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 2w3r h PRO 306 CO -0.21 0.62 -0.26 0.28 -0.23 0.00 0.00 178.00 178.21 2w3r h VAL 307 N 0.00 0.46 0.00 1.56 2.07 -0.97 -1.21 116.25 118.16 2w3r h VAL 307 Ca -0.01 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.42 2w3r h VAL 307 Cb 1.20 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 31.42 2w3r h VAL 307 CO 0.08 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.24 2w3r h ASP 309 N 0.00 1.07 0.75 0.00 3.32 -1.18 -0.65 116.42 119.73 2w3r h ASP 309 Ca -0.00 -0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.89 2w3r h ASP 309 Cb 0.78 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 2w3r h ASP 309 CO 0.06 0.73 -0.73 -0.09 -1.72 0.00 0.00 179.24 177.49 2w3r h ARG 310 N 1.24 0.00 0.07 3.56 2.43 -0.73 -1.18 114.38 119.77 2w3r h ARG 310 Ca 0.40 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 2w3r h ARG 310 Cb 0.02 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.57 2w3r h ARG 310 CO -0.13 0.73 -0.03 0.00 -1.51 0.00 0.00 179.97 179.02 2w3r h ALA 311 N 1.27 -0.10 -0.30 2.80 0.00 -0.71 -1.61 119.26 120.62 2w3r h ALA 311 Ca -0.01 -0.08 0.04 0.00 0.00 0.00 0.00 54.91 54.86 2w3r h ALA 311 Cb 1.30 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.09 2w3r h ALA 311 CO 0.09 -0.49 0.09 0.52 0.00 0.00 0.00 179.25 179.46 2w3r h MET 312 N -0.23 0.20 -0.92 0.00 2.86 -1.12 -2.38 114.93 113.34 2w3r h MET 312 Ca -0.01 -0.01 0.22 0.00 -2.06 0.00 0.00 59.70 57.84 2w3r h MET 312 Cb 0.20 -0.05 -0.07 0.00 0.06 0.00 0.00 31.60 31.74 2w3r h MET 312 CO 0.02 0.13 0.62 -0.07 1.06 0.00 0.00 176.91 178.67 2w3r h LEU 313 N 0.21 0.37 -2.86 1.22 4.07 -0.96 -1.90 115.31 115.46 2w3r h LEU 313 Ca 0.13 0.04 0.00 0.00 0.08 0.00 0.00 57.88 58.14 2w3r h LEU 313 Cb 0.12 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 41.83 2w3r h LEU 313 CO -0.15 0.13 0.00 1.41 -1.08 0.00 0.00 178.44 178.75 2w3r n HIS 314 N -4.50 0.83 0.36 1.13 8.25 -0.63 -4.49 115.22 116.17 2w3r n HIS 314 Ca 0.20 -0.52 0.08 0.00 -0.26 0.00 0.00 57.72 57.22 2w3r n HIS 314 Cb 0.76 -0.04 0.35 0.00 1.12 0.00 0.00 29.99 32.18 2w3r n HIS 314 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2w3r n ALA 315 N 1.09 1.50 0.21 -1.41 0.00 -0.71 -1.82 120.51 119.37 2w3r n ALA 315 Ca 0.20 0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.77 2w3r n ALA 315 Cb 0.58 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.95 2w3r n ALA 315 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2w3r h ASP 316 N 0.00 0.00 0.00 0.00 2.03 -1.80 -3.40 116.42 113.26 2w3r h ASP 316 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 2w3r h ASP 316 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 2w3r h ASP 316 CO 0.00 0.08 0.00 0.61 -1.03 0.00 0.00 179.24 178.90 2w3r n GLY 317 N 1.04 2.96 2.05 7.15 0.00 -0.75 -2.55 105.19 115.08 2w3r n GLY 317 Ca 0.03 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.52 2w3r n GLY 317 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2w3r n SER 318 N 1.56 3.89 -4.04 1.61 7.64 -1.26 -4.72 113.62 118.30 2w3r n SER 318 Ca 0.00 -3.35 -0.20 0.00 1.01 0.00 0.00 58.87 56.33 2w3r n SER 318 Cb 0.00 -0.78 -0.15 0.00 -1.01 0.00 0.00 64.21 62.27 2w3r n SER 318 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2w3r s TYR 319 N -2.88 0.99 -0.21 1.43 1.51 -1.06 -3.18 117.35 113.96 2w3r s TYR 319 Ca 0.50 -0.22 -0.27 0.00 -1.01 0.00 0.00 57.07 56.08 2w3r s TYR 319 Cb 0.42 -0.67 -0.00 0.00 -0.11 0.00 0.00 41.96 41.60 2w3r s TYR 319 CO 0.10 -0.05 0.94 0.12 -1.11 0.00 0.00 175.55 175.55 2w3r s PHE 320 N -0.08 3.37 -0.21 2.71 5.36 -1.09 -4.87 117.98 123.17 2w3r s PHE 320 Ca 0.01 1.36 0.02 0.00 -0.96 0.00 0.00 56.93 57.35 2w3r s PHE 320 Cb -0.06 -3.15 0.04 0.00 -0.34 0.00 0.00 43.02 39.50 2w3r s PHE 320 CO 0.00 -0.38 -0.16 0.08 -1.46 0.00 0.00 175.22 173.30 2w3r s VAL 321 N 2.77 2.02 0.46 3.12 1.01 -1.26 -4.76 120.40 123.75 2w3r s VAL 321 Ca 0.41 -1.16 0.22 0.00 0.00 0.00 0.00 61.98 61.45 2w3r s VAL 321 Cb -0.16 -1.96 0.41 0.00 0.00 0.00 0.00 36.38 34.67 2w3r s VAL 321 CO 0.09 0.31 1.88 -0.65 0.00 0.00 0.00 175.10 176.73 2w3r h PRO 322 N 7.89 0.25 -3.53 2.72 0.11 -1.79 -3.40 132.00 134.26 2w3r h PRO 322 Ca -0.35 -0.02 -0.25 0.00 0.11 0.00 0.00 66.00 65.49 2w3r h PRO 322 Cb 1.10 -0.06 -0.31 0.00 0.11 0.00 0.00 31.00 31.85 2w3r h PRO 322 CO 0.56 0.17 -0.68 0.00 -0.21 0.00 0.00 178.00 177.84 2w3r s ALA 323 N -5.27 -0.06 -0.21 -0.75 0.00 -1.18 -4.60 121.76 109.69 2w3r s ALA 323 Ca -0.07 0.28 -0.14 0.00 0.00 0.00 0.00 51.96 52.03 2w3r s ALA 323 Cb 0.22 -0.20 0.06 0.00 0.00 0.00 0.00 23.12 23.21 2w3r s ALA 323 CO 0.78 -0.08 0.53 -1.17 0.00 0.00 0.00 175.76 175.82 2w3r s LEU 324 N 0.60 -0.36 -0.04 0.00 0.20 0.79 -2.19 118.68 117.68 2w3r s LEU 324 Ca -0.05 1.14 0.02 0.00 0.69 0.00 0.00 54.13 55.92 2w3r s LEU 324 Cb -0.07 1.79 0.01 0.00 -0.43 0.00 0.00 46.19 47.50 2w3r s LEU 324 CO -0.02 -0.21 -0.07 -0.60 -0.29 0.00 0.00 176.35 175.16 2w3r s ARG 325 N 1.22 0.91 -0.03 1.98 3.52 -0.84 0.11 118.95 125.82 2w3r s ARG 325 Ca -0.08 -0.21 0.06 0.00 -0.13 0.00 0.00 55.73 55.38 2w3r s ARG 325 Cb -0.06 -0.86 -0.01 0.00 -1.56 0.00 0.00 34.95 32.45 2w3r s ARG 325 CO -0.12 0.02 -0.23 0.42 -0.81 0.00 0.00 175.30 174.58 2w3r s ILE 326 N 0.53 1.87 -0.30 4.11 1.01 0.08 -0.52 121.20 127.97 2w3r s ILE 326 Ca -0.08 -0.99 0.03 0.00 0.00 0.00 0.00 60.65 59.62 2w3r s ILE 326 Cb -0.11 -1.56 0.08 0.00 0.01 0.00 0.00 42.46 40.87 2w3r s ILE 326 CO 0.01 0.53 -0.02 -0.70 0.00 0.00 0.00 174.94 174.75 2w3r s GLU 327 N -0.34 1.74 -0.36 2.79 2.12 0.03 -1.55 118.70 123.12 2w3r s GLU 327 Ca 0.03 -1.54 -0.10 0.00 0.36 0.00 0.00 54.97 53.72 2w3r s GLU 327 Cb -0.11 -2.95 0.03 0.00 0.26 0.00 0.00 34.13 31.36 2w3r s GLU 327 CO 0.01 -0.77 0.18 0.45 -0.54 0.00 0.00 175.26 174.59 2w3r s SER 328 N 1.07 5.61 -0.53 -1.70 0.15 0.13 -0.31 113.70 118.11 2w3r s SER 328 Ca 0.02 -1.05 -0.16 0.00 0.70 0.00 0.00 55.95 55.46 2w3r s SER 328 Cb -0.19 -1.98 0.12 0.00 -1.71 0.00 0.00 66.02 62.26 2w3r s SER 328 CO -0.08 -0.37 0.49 -1.00 1.20 0.00 0.00 173.24 173.48 2w3r s HIS 329 N 1.51 3.25 -0.67 3.44 3.76 0.13 -0.75 115.29 125.95 2w3r s HIS 329 Ca 0.01 -1.23 -0.24 0.00 -0.15 0.00 0.00 55.06 53.45 2w3r s HIS 329 Cb -0.19 -3.71 0.06 0.00 1.11 0.00 0.00 32.58 29.85 2w3r s HIS 329 CO 0.05 -0.99 1.05 -0.98 -0.85 0.00 0.00 174.74 173.02 2w3r s ARG 330 N 1.61 3.14 -0.11 1.40 3.03 -1.26 -1.45 118.95 125.31 2w3r s ARG 330 Ca 0.03 -0.65 -0.06 0.00 2.03 0.00 0.00 55.73 57.08 2w3r s ARG 330 Cb -0.29 -4.21 -0.04 0.00 -1.03 0.00 0.00 34.95 29.38 2w3r s ARG 330 CO 0.04 -1.89 0.12 -0.51 -1.13 0.00 0.00 175.30 171.92 2w3r s LEU 331 N 4.50 4.26 -0.01 -1.89 1.43 -0.54 -0.92 118.68 125.51 2w3r s LEU 331 Ca 0.26 0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 2w3r s LEU 331 Cb -0.14 -2.03 -0.05 0.00 0.03 0.00 0.00 46.19 43.99 2w3r s LEU 331 CO 0.12 0.40 0.62 -0.60 0.23 0.00 0.00 176.35 177.13 2w3r s ARG 332 N -1.01 4.35 0.04 1.70 3.52 0.32 -1.70 118.95 126.18 2w3r s ARG 332 Ca 0.15 0.78 0.02 0.00 -0.13 0.00 0.00 55.73 56.55 2w3r s ARG 332 Cb -0.12 -3.36 -0.02 0.00 -1.56 0.00 0.00 34.95 29.89 2w3r s ARG 332 CO 0.04 0.33 -0.08 0.95 -0.81 0.00 0.00 175.30 175.73 2w3r s THR 333 N -0.07 0.54 0.00 4.11 -4.23 -1.22 -4.61 115.64 110.17 2w3r s THR 333 Ca 0.32 -1.09 -0.05 0.00 -1.18 0.00 0.00 61.69 59.70 2w3r s THR 333 Cb -0.18 -0.62 -0.20 0.00 1.34 0.00 0.00 72.50 72.83 2w3r s THR 333 CO 0.18 -0.39 2.86 0.59 -0.54 0.00 0.00 174.62 177.32 2w3r n ASN 334 N 1.44 3.96 -3.89 3.99 5.03 -1.20 -0.64 115.26 123.95 2w3r n ASN 334 Ca -0.23 -2.24 -0.25 0.00 0.87 0.00 0.00 54.58 52.73 2w3r n ASN 334 Cb 0.55 -1.07 -0.07 0.00 -1.02 0.00 0.00 39.78 38.17 2w3r n ASN 334 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2w3r n THR 335 N 2.62 0.00 -1.59 3.41 -2.24 -1.25 -4.30 114.28 110.92 2w3r n THR 335 Ca 0.32 -2.28 -0.48 0.00 -2.27 0.00 0.00 64.05 59.35 2w3r n THR 335 Cb 0.69 0.76 -0.04 0.00 -2.10 0.00 0.00 70.33 69.65 2w3r n THR 335 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w3r n GLN 336 N -0.93 1.31 -2.06 -0.78 3.00 -1.26 -1.31 117.38 115.36 2w3r n GLN 336 Ca -0.08 0.47 -0.36 0.00 -0.01 0.00 0.00 57.00 57.02 2w3r n GLN 336 Cb 0.59 -1.97 -0.03 0.00 0.00 0.00 0.00 30.24 28.82 2w3r n GLN 336 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2w3r s SER 337 N -0.02 5.27 0.72 1.08 0.15 -1.26 -4.00 113.70 115.64 2w3r s SER 337 Ca 0.71 0.10 -0.16 0.00 0.70 0.00 0.00 55.95 57.30 2w3r s SER 337 Cb -0.81 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.00 2w3r s SER 337 CO 0.53 -2.44 1.24 0.59 1.20 0.00 0.00 173.24 174.36 2w3r n ASN 338 N 12.90 1.56 0.00 5.45 3.02 0.83 -4.01 115.26 135.01 2w3r n ASN 338 Ca 0.24 0.72 0.00 0.00 -0.03 0.00 0.00 54.58 55.51 2w3r n ASN 338 Cb 0.51 -1.53 0.00 0.00 -0.61 0.00 0.00 39.78 38.15 2w3r n ASN 338 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 2w3r n THR 339 N -2.54 0.00 -2.37 3.41 5.66 -0.50 -4.35 114.28 113.60 2w3r n THR 339 Ca 0.15 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.77 2w3r n THR 339 Cb 0.49 0.00 -0.02 0.00 -1.55 0.00 0.00 70.33 69.25 2w3r n THR 339 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2w3r s ALA 340 N -1.86 3.10 -0.30 1.79 0.00 -1.26 -4.38 121.76 118.84 2w3r s ALA 340 Ca 0.00 0.87 -0.04 0.00 0.00 0.00 0.00 51.96 52.79 2w3r s ALA 340 Cb 0.00 -3.34 0.17 0.00 0.00 0.00 0.00 23.12 19.95 2w3r s ALA 340 CO 0.00 -0.44 0.62 0.12 0.00 0.00 0.00 175.76 176.05 2w3r s PHE 341 N -1.52 -1.51 0.00 0.00 5.99 -1.26 -3.43 117.98 116.25 2w3r s PHE 341 Ca 0.58 1.93 0.00 0.00 0.00 0.00 0.00 56.93 59.45 2w3r s PHE 341 Cb -0.27 0.65 0.00 0.00 0.00 0.00 0.00 43.02 43.40 2w3r s PHE 341 CO 0.34 -0.80 0.00 -2.13 -0.00 0.00 0.00 175.22 172.63 2w3r n ARG 342 N 5.44 0.00 0.00 10.12 0.63 0.89 -1.11 116.66 132.63 2w3r n ARG 342 Ca -0.05 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.88 2w3r n ARG 342 Cb 0.50 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.41 2w3r n ARG 342 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2w3r n GLY 343 N 0.06 2.24 3.57 5.14 0.00 -1.26 -4.93 105.19 110.01 2w3r n GLY 343 Ca 0.00 -0.55 -0.21 0.00 0.00 0.00 0.00 46.02 45.27 2w3r n GLY 343 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2w3r n PHE 344 N 0.00 -2.05 0.00 1.61 7.35 -0.26 -1.23 117.46 122.87 2w3r n PHE 344 Ca 0.00 0.82 0.00 0.00 -0.76 0.00 0.00 57.45 57.51 2w3r n PHE 344 Cb 0.00 -4.40 0.00 0.00 0.35 0.00 0.00 39.48 35.43 2w3r n PHE 344 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2w3r n GLY 345 N -1.44 3.11 0.24 7.13 0.00 -1.26 -4.51 105.19 108.47 2w3r n GLY 345 Ca -0.24 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.75 2w3r n GLY 345 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2w3r h GLY 346 N 0.00 0.89 0.96 -0.02 0.00 -1.35 -2.48 103.07 101.06 2w3r h GLY 346 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2w3r h GLY 346 CO 0.00 0.15 0.20 -2.55 0.00 0.00 0.00 176.54 174.34 2w3r h PRO 347 N 0.63 0.53 0.22 4.80 0.11 -1.90 -1.64 132.00 134.74 2w3r h PRO 347 Ca 0.27 -0.07 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2w3r h PRO 347 Cb 0.16 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.17 2w3r h PRO 347 CO -0.17 0.44 -0.12 1.96 -0.21 0.00 0.00 178.00 179.91 2w3r h GLN 348 N 0.48 -0.30 -0.93 1.05 7.50 -1.93 0.18 115.11 121.15 2w3r h GLN 348 Ca 0.13 0.02 0.10 0.00 0.50 0.00 0.00 58.65 59.41 2w3r h GLN 348 Cb 0.07 0.07 -0.08 0.00 0.05 0.00 0.00 27.48 27.59 2w3r h GLN 348 CO -0.02 -0.20 0.57 0.78 -1.50 0.00 0.00 178.83 178.46 2w3r h GLY 349 N -0.32 1.49 1.50 3.46 0.00 -1.40 -1.76 103.07 106.05 2w3r h GLY 349 Ca -0.03 -0.39 -0.25 0.00 0.00 0.00 0.00 47.33 46.67 2w3r h GLY 349 CO 0.04 0.17 -1.04 0.00 0.00 0.00 0.00 176.54 175.71 2w3r h ALA 350 N 1.50 0.26 -0.38 3.60 0.00 -1.08 -3.19 119.26 119.96 2w3r h ALA 350 Ca 0.45 -0.75 -0.03 0.00 0.00 0.00 0.00 54.91 54.58 2w3r h ALA 350 Cb 0.40 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2w3r h ALA 350 CO -0.25 0.82 0.11 1.25 0.00 0.00 0.00 179.25 181.18 2w3r h LEU 351 N 0.22 0.51 -0.27 0.00 5.85 -0.30 -0.70 115.31 120.61 2w3r h LEU 351 Ca -0.11 -0.06 0.05 0.00 0.84 0.00 0.00 57.88 58.60 2w3r h LEU 351 Cb 1.70 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 2w3r h LEU 351 CO 0.18 0.50 -0.02 1.23 -0.34 0.00 0.00 178.44 179.99 2w3r h GLY 352 N 0.76 0.24 1.40 3.75 0.00 -1.32 0.37 103.07 108.27 2w3r h GLY 352 Ca 0.13 0.05 -0.10 0.00 0.00 0.00 0.00 47.33 47.40 2w3r h GLY 352 CO -0.01 -0.07 -0.19 1.98 0.00 0.00 0.00 176.54 178.25 2w3r h MET 353 N 0.06 0.70 -0.55 4.80 1.85 -1.46 -1.66 114.93 118.67 2w3r h MET 353 Ca 0.13 -0.26 -0.11 0.00 -0.61 0.00 0.00 59.70 58.84 2w3r h MET 353 Cb 0.18 -0.04 -0.02 0.00 0.43 0.00 0.00 31.60 32.14 2w3r h MET 353 CO -0.23 0.84 -0.10 0.93 -0.40 0.00 0.00 176.91 177.95 2w3r h GLU 354 N 0.62 1.04 -0.02 0.39 4.39 -0.74 -0.47 114.58 119.80 2w3r h GLU 354 Ca 0.09 -0.39 -0.19 0.00 0.34 0.00 0.00 59.36 59.22 2w3r h GLU 354 Cb 0.67 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.24 2w3r h GLU 354 CO 0.05 1.08 -0.81 -0.09 -1.16 0.00 0.00 179.01 178.08 2w3r h ARG 355 N 0.93 0.21 -0.10 2.33 1.12 -0.88 -1.70 114.38 116.29 2w3r h ARG 355 Ca 0.14 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.79 2w3r h ARG 355 Cb 0.68 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 30.69 2w3r h ARG 355 CO 0.05 0.91 0.01 0.00 -3.11 0.00 0.00 179.97 177.83 2w3r h ALA 356 N 1.02 0.14 0.00 2.80 0.00 -1.17 -2.14 119.26 119.91 2w3r h ALA 356 Ca -0.04 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.62 2w3r h ALA 356 Cb 1.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2w3r h ALA 356 CO 0.12 -0.19 -0.43 0.97 0.00 0.00 0.00 179.25 179.73 2w3r h ILE 357 N -0.08 1.02 0.22 0.00 2.10 -1.07 -1.60 117.51 118.10 2w3r h ILE 357 Ca 0.03 -1.63 -0.01 0.00 1.08 0.00 0.00 64.86 64.33 2w3r h ILE 357 Cb 0.32 1.96 0.00 0.00 -1.09 0.00 0.00 36.82 38.01 2w3r h ILE 357 CO 0.00 0.42 -0.11 -0.08 -1.08 0.00 0.00 178.15 177.31 2w3r h GLU 358 N 0.00 -0.28 -0.78 2.19 4.57 -1.29 -1.35 114.58 117.63 2w3r h GLU 358 Ca -0.00 0.02 0.13 0.00 -1.18 0.00 0.00 59.36 58.33 2w3r h GLU 358 Cb 0.92 0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.49 2w3r h GLU 358 CO 0.06 -0.01 0.37 1.25 -1.18 0.00 0.00 179.01 179.49 2w3r h HIS 359 N -0.54 0.64 -0.61 0.92 2.76 -1.16 -0.06 115.15 117.10 2w3r h HIS 359 Ca -0.03 0.03 -0.07 0.00 -2.20 0.00 0.00 60.37 58.11 2w3r h HIS 359 Cb 0.40 -0.17 -0.03 0.00 1.55 0.00 0.00 27.41 29.17 2w3r h HIS 359 CO 0.01 0.15 0.12 1.25 -1.30 0.00 0.00 177.93 178.16 2w3r h LEU 360 N 0.55 0.93 -0.13 0.26 5.85 -1.22 0.23 115.31 121.77 2w3r h LEU 360 Ca 0.42 -0.20 -0.04 0.00 0.84 0.00 0.00 57.88 58.90 2w3r h LEU 360 Cb 0.58 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.36 2w3r h LEU 360 CO -0.36 0.91 -0.07 0.00 -0.34 0.00 0.00 178.44 178.59 2w3r h ALA 361 N 1.20 0.19 -0.55 1.25 0.00 -0.07 -2.57 119.26 118.71 2w3r h ALA 361 Ca 0.19 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2w3r h ALA 361 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2w3r h ALA 361 CO 0.01 -0.02 -0.09 0.00 0.00 0.00 0.00 179.25 179.15 2w3r h ARG 362 N -0.06 1.03 -0.03 0.00 2.47 -0.98 0.41 114.38 117.22 2w3r h ARG 362 Ca 0.03 -0.38 -0.02 0.00 -1.26 0.00 0.00 59.98 58.35 2w3r h ARG 362 Cb 0.54 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.78 2w3r h ARG 362 CO 0.02 1.07 -0.09 0.78 0.56 0.00 0.00 179.97 182.30 2w3r h GLY 363 N 0.91 0.04 -1.89 0.04 0.00 -0.54 -2.00 103.07 99.64 2w3r h GLY 363 Ca 0.14 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.45 2w3r h GLY 363 CO 0.05 0.02 0.00 1.15 0.00 0.00 0.00 176.54 177.76 2w3r n MET 364 N -4.41 2.48 -3.42 4.80 0.00 -0.97 -5.00 117.12 110.60 2w3r n MET 364 Ca -0.02 -2.18 -0.18 0.00 0.00 0.00 0.00 57.70 55.31 2w3r n MET 364 Cb 0.18 -1.41 0.07 0.00 0.00 0.00 0.00 33.22 32.06 2w3r n MET 364 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2w3r n GLY 365 N 1.09 -0.71 3.49 3.17 0.00 -0.67 -5.03 105.19 106.53 2w3r n GLY 365 Ca 0.17 0.32 -0.23 0.00 0.00 0.00 0.00 46.02 46.28 2w3r n GLY 365 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w3r s ARG 366 N -5.13 1.72 -0.11 1.61 3.52 0.04 -5.03 118.95 115.57 2w3r s ARG 366 Ca 0.22 -1.96 -0.30 0.00 -0.13 0.00 0.00 55.73 53.56 2w3r s ARG 366 Cb -0.04 -1.05 -0.02 0.00 -1.56 0.00 0.00 34.95 32.28 2w3r s ARG 366 CO 0.76 -0.15 1.21 0.34 -0.81 0.00 0.00 175.30 176.65 2w3r s ASP 367 N -3.54 7.01 0.13 -2.12 2.15 -1.26 -4.47 116.67 114.57 2w3r s ASP 367 Ca 0.36 1.73 -0.22 0.00 0.43 0.00 0.00 52.55 54.85 2w3r s ASP 367 Cb 0.09 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 40.14 2w3r s ASP 367 CO 0.16 -0.66 1.67 -0.65 -0.17 0.00 0.00 175.17 175.52 2w3r h PRO 368 N 7.76 -0.18 -0.72 4.34 0.11 -1.94 -0.10 132.00 141.28 2w3r h PRO 368 Ca -0.30 0.01 0.11 0.00 0.11 0.00 0.00 66.00 65.94 2w3r h PRO 368 Cb 1.13 0.04 -0.08 0.00 0.11 0.00 0.00 31.00 32.20 2w3r h PRO 368 CO 0.92 -0.12 0.33 0.00 -0.21 0.00 0.00 178.00 178.92 2w3r h ALA 369 N 0.87 1.00 -0.75 -0.75 0.00 -1.92 0.12 119.26 117.83 2w3r h ALA 369 Ca 0.09 0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 2w3r h ALA 369 Cb 0.33 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 2w3r h ALA 369 CO -0.24 -0.12 0.24 1.49 0.00 0.00 0.00 179.25 180.62 2w3r h GLU 370 N 0.53 1.17 -0.28 0.00 4.22 -1.81 0.48 114.58 118.88 2w3r h GLU 370 Ca 0.37 -0.25 -0.13 0.00 0.08 0.00 0.00 59.36 59.44 2w3r h GLU 370 Cb 0.47 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 2w3r h GLU 370 CO -0.32 0.98 -0.35 1.25 -2.18 0.00 0.00 179.01 178.39 2w3r h LEU 371 N 1.12 0.66 -0.12 1.64 5.85 0.08 -2.49 115.31 122.04 2w3r h LEU 371 Ca 0.24 -0.28 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2w3r h LEU 371 Cb 0.30 -0.18 -0.00 0.00 0.37 0.00 0.00 40.66 41.14 2w3r h LEU 371 CO -0.01 0.96 -0.06 0.03 -0.34 0.00 0.00 178.44 179.01 2w3r h ARG 372 N 0.53 0.25 -0.84 1.25 3.08 -0.51 -2.88 114.38 115.27 2w3r h ARG 372 Ca 0.05 -0.11 0.12 0.00 0.07 0.00 0.00 59.98 60.11 2w3r h ARG 372 Cb 0.86 -0.01 -0.08 0.00 0.08 0.00 0.00 29.97 30.82 2w3r h ARG 372 CO 0.07 0.60 0.46 0.00 -1.07 0.00 0.00 179.97 180.04 2w3r h ALA 373 N 0.64 1.22 0.00 0.04 0.00 -0.90 0.64 119.26 120.91 2w3r h ALA 373 Ca 0.03 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 2w3r h ALA 373 Cb 0.53 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 2w3r h ALA 373 CO 0.02 0.01 -0.09 1.25 0.00 0.00 0.00 179.25 180.44 2w3r h LEU 374 N 0.72 0.00 -3.02 0.00 5.85 -1.41 -3.21 115.31 114.24 2w3r h LEU 374 Ca 0.43 0.00 0.00 0.00 0.84 0.00 0.00 57.88 59.15 2w3r h LEU 374 Cb 0.49 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2w3r h LEU 374 CO -0.30 0.09 0.00 0.59 -0.34 0.00 0.00 178.44 178.49 2w3r n ASN 375 N -3.40 2.84 -4.75 1.25 3.02 0.13 -4.96 115.26 109.38 2w3r n ASN 375 Ca -0.01 -2.43 -0.32 0.00 -0.03 0.00 0.00 54.58 51.80 2w3r n ASN 375 Cb 0.26 -0.28 0.09 0.00 -0.61 0.00 0.00 39.78 39.24 2w3r n ASN 375 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2w3r s PHE 376 N -1.75 2.42 0.78 3.10 2.99 -0.65 -2.68 117.98 122.19 2w3r s PHE 376 Ca 0.23 1.59 -0.13 0.00 0.00 0.00 0.00 56.93 58.62 2w3r s PHE 376 Cb 0.17 -3.15 0.07 0.00 0.00 0.00 0.00 43.02 40.11 2w3r s PHE 376 CO 0.08 -1.96 1.18 0.71 -0.00 0.00 0.00 175.22 175.23 2w3r s TYR 377 N -2.67 1.99 0.54 0.36 1.51 -1.19 -4.54 117.35 113.35 2w3r s TYR 377 Ca 0.64 1.65 -0.20 0.00 -1.01 0.00 0.00 57.07 58.15 2w3r s TYR 377 Cb -0.20 -3.40 -0.06 0.00 -0.11 0.00 0.00 41.96 38.20 2w3r s TYR 377 CO 0.52 -2.58 1.14 -0.51 -1.11 0.00 0.00 175.55 173.01 2w3r s ASP 378 N -2.33 5.75 0.64 2.29 1.01 -1.26 -4.79 116.67 117.98 2w3r s ASP 378 Ca 0.71 2.20 -0.15 0.00 0.71 0.00 0.00 52.55 56.02 2w3r s ASP 378 Cb -0.26 -2.58 -0.01 0.00 1.01 0.00 0.00 42.92 41.07 2w3r s ASP 378 CO 0.49 -1.20 1.09 -2.84 0.21 0.00 0.00 175.17 172.92 2w3r s PRO 379 N -3.22 2.97 0.26 8.23 0.02 -1.25 -4.33 135.00 137.68 2w3r s PRO 379 Ca 0.72 1.32 -0.31 0.00 0.02 0.00 0.00 61.00 62.75 2w3r s PRO 379 Cb -0.25 -1.98 -0.13 0.00 0.02 0.00 0.00 34.50 32.16 2w3r s PRO 379 CO 0.28 -1.10 1.40 -2.30 -0.33 0.00 0.00 177.00 174.95 2w3r n PRO 380 N -2.30 2.11 -1.65 5.54 -0.02 -1.26 -4.94 135.00 132.48 2w3r n PRO 380 Ca 0.10 0.75 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 2w3r n PRO 380 Cb 0.52 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 2w3r n PRO 380 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2w3r n GLU 381 N 1.79 -4.47 -0.72 -0.52 4.71 -1.26 -5.10 120.64 115.07 2w3r n GLU 381 Ca 0.10 3.23 0.07 0.00 -0.01 0.00 0.00 57.16 60.55 2w3r n GLU 381 Cb 0.33 -3.49 -0.04 0.00 -1.01 0.00 0.00 31.44 27.23 2w3r n GLU 381 CO 0.00 0.00 0.00 1.17 0.09 0.00 0.00 177.13 178.39 2w3r n LYS 398 N 0.81 -1.73 -2.59 3.49 3.00 -1.26 -5.71 118.16 114.16 2w3r n LYS 398 Ca 0.00 1.40 -0.36 0.00 -0.00 0.00 0.00 58.31 59.35 2w3r n LYS 398 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 35.03 33.05 2w3r n LYS 398 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2w3r s LYS 399 N -3.90 4.21 0.56 1.64 0.00 -1.26 -5.03 119.74 115.96 2w3r s LYS 399 Ca 0.00 1.46 -0.18 0.00 0.00 0.00 0.00 55.97 57.25 2w3r s LYS 399 Cb 0.00 -2.53 -0.05 0.00 0.00 0.00 0.00 37.83 35.25 2w3r s LYS 399 CO 0.00 -0.09 1.08 0.99 0.00 0.00 0.00 175.35 177.33 2w3r s THR 400 N -1.70 3.51 0.62 3.79 2.01 -1.26 -5.04 115.64 117.56 2w3r s THR 400 Ca 0.57 0.84 -0.15 0.00 0.31 0.00 0.00 61.69 63.27 2w3r s THR 400 Cb -0.20 -3.33 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2w3r s THR 400 CO 0.26 -0.30 1.06 -1.10 -0.69 0.00 0.00 174.62 173.85 2w3r s GLN 401 N -3.60 3.20 0.19 4.92 -0.21 -1.26 -4.96 119.66 117.95 2w3r s GLN 401 Ca 0.68 1.19 0.07 0.00 0.02 0.00 0.00 55.36 57.32 2w3r s GLN 401 Cb -0.19 -2.02 -0.05 0.00 1.00 0.00 0.00 33.01 31.75 2w3r s GLN 401 CO 0.30 -0.90 -0.14 0.95 -2.12 0.00 0.00 175.29 173.38 2w3r s THR 402 N -2.53 1.62 0.96 -0.19 -4.23 -1.26 -2.19 115.64 107.81 2w3r s THR 402 Ca 0.63 -2.18 -0.14 0.00 -1.18 0.00 0.00 61.69 58.83 2w3r s THR 402 Cb -0.16 -2.00 0.17 0.00 1.34 0.00 0.00 72.50 71.85 2w3r s THR 402 CO 0.40 -0.63 1.16 0.42 -0.54 0.00 0.00 174.62 175.43 2w3r s THR 403 N -3.04 1.95 0.53 3.99 -4.23 -0.55 -4.82 115.64 109.47 2w3r s THR 403 Ca 0.21 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.91 2w3r s THR 403 Cb -0.00 -2.74 0.31 0.00 1.34 0.00 0.00 72.50 71.41 2w3r s THR 403 CO 0.05 0.00 2.11 1.12 -0.54 0.00 0.00 174.62 177.37 2w3r h HIS 404 N -1.67 0.00 -0.35 3.99 2.07 -1.92 0.84 115.15 118.11 2w3r h HIS 404 Ca -0.49 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2w3r h HIS 404 Cb 1.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.30 2w3r h HIS 404 CO -0.21 0.00 0.00 2.48 -3.07 0.00 0.00 177.93 177.13 2w3r n TYR 405 N -4.47 0.47 -1.32 6.12 0.18 -1.26 -4.60 117.16 112.28 2w3r n TYR 405 Ca 0.00 -0.23 0.00 0.00 1.88 0.00 0.00 57.90 59.55 2w3r n TYR 405 Cb 0.22 0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.18 2w3r n TYR 405 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 2w3r n GLY 406 N 1.16 0.50 3.66 -7.48 0.00 0.29 -1.91 105.19 101.41 2w3r n GLY 406 Ca 0.15 -0.89 -0.37 0.00 0.00 0.00 0.00 46.02 44.91 2w3r n GLY 406 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2w3r s GLN 407 N -2.69 4.09 0.29 1.61 0.74 -1.25 -4.67 119.66 117.79 2w3r s GLN 407 Ca 0.00 -0.10 -0.30 0.00 0.05 0.00 0.00 55.36 55.01 2w3r s GLN 407 Cb 0.00 -3.55 -0.11 0.00 1.10 0.00 0.00 33.01 30.45 2w3r s GLN 407 CO 0.00 -0.00 1.47 -1.21 -0.55 0.00 0.00 175.29 175.00 2w3r s GLU 408 N 1.23 4.22 -0.55 1.67 2.02 -1.26 -1.48 118.70 124.55 2w3r s GLU 408 Ca 0.12 2.40 -0.02 0.00 0.02 0.00 0.00 54.97 57.49 2w3r s GLU 408 Cb -0.14 -3.06 0.14 0.00 0.10 0.00 0.00 34.13 31.17 2w3r s GLU 408 CO 0.06 -0.46 0.35 0.08 0.02 0.00 0.00 175.26 175.31 2w3r s VAL 409 N -0.30 3.42 -0.31 2.63 1.01 -0.93 -4.93 120.40 120.99 2w3r s VAL 409 Ca 0.58 -2.76 0.07 0.00 0.00 0.00 0.00 61.98 59.87 2w3r s VAL 409 Cb -0.44 -3.28 0.46 0.00 0.00 0.00 0.00 36.38 33.12 2w3r s VAL 409 CO 0.48 -0.81 1.27 0.00 0.00 0.00 0.00 175.10 176.05 2w3r n ALA 410 N 3.74 4.98 -2.05 5.51 0.00 -1.26 -4.57 120.51 126.85 2w3r n ALA 410 Ca 0.05 -3.69 0.00 0.00 0.00 0.00 0.00 53.44 49.80 2w3r n ALA 410 Cb 0.38 -0.46 -0.00 0.00 0.00 0.00 0.00 19.45 19.37 2w3r n ALA 410 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2w3r n ASP 411 N -0.78 0.05 -4.48 0.00 5.75 -1.26 -4.62 116.55 111.20 2w3r n ASP 411 Ca 0.43 -1.74 -0.43 0.00 -0.01 0.00 0.00 54.79 53.04 2w3r n ASP 411 Cb 0.92 -0.14 -0.07 0.00 -1.03 0.00 0.00 41.12 40.80 2w3r n ASP 411 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2w3r n VAL 413 N 5.69 0.64 -0.18 0.00 0.24 -1.26 -3.79 118.33 119.67 2w3r n VAL 413 Ca -0.04 -0.82 0.09 0.00 -2.04 0.00 0.00 64.34 61.52 2w3r n VAL 413 Cb 0.47 0.80 0.39 0.00 -1.47 0.00 0.00 33.84 34.03 2w3r n VAL 413 CO 0.00 0.00 0.00 -0.07 -2.14 0.00 0.00 176.83 174.62 2w3r h LEU 414 N 3.02 0.60 -0.31 1.34 3.38 -1.90 0.13 115.31 121.56 2w3r h LEU 414 Ca 0.00 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2w3r h LEU 414 Cb 0.78 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 2w3r h LEU 414 CO 0.00 0.37 0.02 1.23 0.09 0.00 0.00 178.44 180.15 2w3r h GLY 415 N 0.67 0.32 0.58 0.83 0.00 -1.86 0.90 103.07 104.50 2w3r h GLY 415 Ca 0.33 0.02 -0.07 0.00 0.00 0.00 0.00 47.33 47.61 2w3r h GLY 415 CO -0.11 -0.06 -0.24 -2.09 0.00 0.00 0.00 176.54 174.04 2w3r h GLU 416 N 0.11 0.24 -0.00 4.80 4.81 -1.74 -3.21 114.58 119.58 2w3r h GLU 416 Ca 0.15 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 2w3r h GLU 416 Cb 0.19 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 2w3r h GLU 416 CO -0.24 0.86 -0.25 1.25 -0.73 0.00 0.00 179.01 179.90 2w3r h LEU 417 N -0.32 -0.75 -0.14 1.64 6.46 -0.85 -1.25 115.31 120.11 2w3r h LEU 417 Ca -0.02 0.10 0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2w3r h LEU 417 Cb 0.91 0.31 -0.02 0.00 -0.73 0.00 0.00 40.66 41.12 2w3r h LEU 417 CO 0.05 -0.32 0.00 0.58 -0.62 0.00 0.00 178.44 178.13 2w3r h VAL 418 N -0.39 0.91 -0.58 1.05 2.07 -0.97 -0.96 116.25 117.38 2w3r h VAL 418 Ca 0.06 -0.02 0.12 0.00 0.82 0.00 0.00 66.70 67.68 2w3r h VAL 418 Cb 0.48 0.85 -0.11 0.00 -1.52 0.00 0.00 31.29 30.99 2w3r h VAL 418 CO -0.23 0.01 -0.12 0.74 0.02 0.00 0.00 177.57 178.00 2w3r h THR 419 N 0.05 0.44 -0.37 2.57 2.02 -1.50 0.19 112.91 116.30 2w3r h THR 419 Ca 0.06 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.24 2w3r h THR 419 Cb 0.07 0.41 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 2w3r h THR 419 CO -0.11 0.00 0.24 -0.09 0.37 0.00 0.00 175.52 175.94 2w3r h ARG 420 N 0.02 0.48 -0.69 6.66 2.43 -0.60 -1.75 114.38 120.92 2w3r h ARG 420 Ca 0.29 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.38 2w3r h ARG 420 Cb 0.44 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.85 2w3r h ARG 420 CO -0.58 0.32 0.24 1.25 -1.51 0.00 0.00 179.97 179.68 2w3r h LEU 421 N 0.49 0.98 -0.43 3.80 5.85 -0.26 -1.95 115.31 123.79 2w3r h LEU 421 Ca 0.14 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2w3r h LEU 421 Cb -0.05 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.71 2w3r h LEU 421 CO -0.04 0.90 0.10 1.56 -0.34 0.00 0.00 178.44 180.62 2w3r h GLN 422 N 1.02 0.70 -0.37 1.25 4.20 -0.33 0.31 115.11 121.89 2w3r h GLN 422 Ca 0.23 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2w3r h GLN 422 Cb 0.25 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 27.94 2w3r h GLN 422 CO -0.01 0.71 -0.38 0.87 -0.67 0.00 0.00 178.83 179.34 2w3r h LYS 423 N 0.57 0.92 -0.25 1.46 1.79 -1.22 -1.18 116.57 118.65 2w3r h LYS 423 Ca 0.13 -0.49 -0.11 0.00 -2.18 0.00 0.00 60.65 58.01 2w3r h LYS 423 Cb 0.33 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 30.99 2w3r h LYS 423 CO 0.00 1.14 -0.26 0.66 -1.08 0.00 0.00 179.45 179.91 2w3r h SER 424 N 0.73 0.67 0.42 0.86 4.64 -1.31 -3.08 113.55 116.49 2w3r h SER 424 Ca 0.06 -0.48 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2w3r h SER 424 Cb 0.98 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 62.88 2w3r h SER 424 CO 0.09 1.01 0.00 0.00 -0.87 0.00 0.00 176.83 177.07 2w3r n ALA 425 N -2.48 2.28 -3.26 5.18 0.00 0.09 -4.93 120.51 117.40 2w3r n ALA 425 Ca -0.04 -0.12 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2w3r n ALA 425 Cb 0.45 -1.41 0.04 0.00 0.00 0.00 0.00 19.45 18.54 2w3r n ALA 425 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2w3r n ASN 426 N -1.26 -6.81 0.01 0.00 4.05 -0.84 -4.92 115.26 105.49 2w3r n ASN 426 Ca 0.13 -0.55 -0.00 0.00 0.45 0.00 0.00 54.58 54.60 2w3r n ASN 426 Cb 0.19 -4.91 -0.00 0.00 1.23 0.00 0.00 39.78 36.29 2w3r n ASN 426 CO 0.00 0.00 0.00 0.15 -3.05 0.00 0.00 177.26 174.36 2w3r h PHE 427 N -0.65 -0.02 -0.95 1.20 3.57 -1.52 -2.72 116.94 115.84 2w3r h PHE 427 Ca -0.42 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.27 2w3r h PHE 427 Cb 1.22 0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.86 2w3r h PHE 427 CO 0.27 -0.01 0.54 1.15 -2.23 0.00 0.00 178.31 178.03 2w3r h THR 428 N -0.04 0.67 -0.20 4.41 2.02 -1.94 0.26 112.91 118.10 2w3r h THR 428 Ca -0.00 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2w3r h THR 428 Cb 0.02 -0.06 -0.01 0.00 -1.74 0.00 0.00 68.15 66.36 2w3r h THR 428 CO 0.00 0.12 0.07 0.74 0.37 0.00 0.00 175.52 176.83 2w3r h THR 429 N 0.67 1.17 -0.38 3.16 2.02 -1.97 -1.69 112.91 115.90 2w3r h THR 429 Ca 0.55 -0.53 -0.12 0.00 0.77 0.00 0.00 66.41 67.08 2w3r h THR 429 Cb 0.88 1.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 2w3r h THR 429 CO -0.40 0.17 -0.24 0.03 0.37 0.00 0.00 175.52 175.45 2w3r h ARG 430 N 0.15 0.78 -0.41 6.66 3.08 -0.87 -1.85 114.38 121.91 2w3r h ARG 430 Ca 0.06 -0.32 0.02 0.00 0.07 0.00 0.00 59.98 59.82 2w3r h ARG 430 Cb 0.20 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 2w3r h ARG 430 CO -0.00 0.94 0.24 -0.09 -1.07 0.00 0.00 179.97 179.98 2w3r h ARG 431 N 0.67 0.46 -0.66 0.04 2.43 -0.44 -0.08 114.38 116.81 2w3r h ARG 431 Ca 0.09 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.16 2w3r h ARG 431 Cb 0.75 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 2w3r h ARG 431 CO 0.06 0.31 0.12 0.00 -1.51 0.00 0.00 179.97 178.94 2w3r h ALA 432 N 1.19 0.95 -0.14 2.80 0.00 -1.22 -1.77 119.26 121.07 2w3r h ALA 432 Ca 0.17 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 2w3r h ALA 432 Cb 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 2w3r h ALA 432 CO -0.09 0.66 -0.19 0.93 0.00 0.00 0.00 179.25 180.56 2w3r h GLU 433 N 1.02 0.24 -0.05 0.00 5.08 -0.81 -2.11 114.58 117.94 2w3r h GLU 433 Ca 0.20 -0.07 -0.25 0.00 -1.00 0.00 0.00 59.36 58.25 2w3r h GLU 433 Cb 0.42 -0.03 0.02 0.00 0.50 0.00 0.00 28.75 29.66 2w3r h GLU 433 CO 0.01 0.43 -0.95 0.82 -1.00 0.00 0.00 179.01 178.32 2w3r h ILE 434 N 0.22 1.28 -0.90 3.13 2.04 -0.85 -1.61 117.51 120.82 2w3r h ILE 434 Ca 0.04 -2.16 0.11 0.00 1.00 0.00 0.00 64.86 63.85 2w3r h ILE 434 Cb 0.47 2.25 -0.08 0.00 -0.74 0.00 0.00 36.82 38.72 2w3r h ILE 434 CO 0.03 0.67 0.53 0.00 0.00 0.00 0.00 178.15 179.39 2w3r h ALA 435 N 0.47 1.33 0.06 1.87 0.00 -1.01 -0.71 119.26 121.27 2w3r h ALA 435 Ca -0.10 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2w3r h ALA 435 Cb 1.60 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.24 2w3r h ALA 435 CO 0.19 0.13 -0.03 0.00 0.00 0.00 0.00 179.25 179.54 2w3r h ALA 436 N 1.50 -0.07 -0.89 0.00 0.00 -1.41 -3.26 119.26 115.13 2w3r h ALA 436 Ca 0.45 -0.28 0.16 0.00 0.00 0.00 0.00 54.91 55.24 2w3r h ALA 436 Cb 0.45 0.03 -0.10 0.00 0.00 0.00 0.00 17.79 18.17 2w3r h ALA 436 CO -0.27 -0.24 0.47 2.35 0.00 0.00 0.00 179.25 181.57 2w3r h TRP 437 N -0.69 0.83 0.04 0.00 7.01 -0.95 -2.46 115.95 119.73 2w3r h TRP 437 Ca -0.01 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.03 2w3r h TRP 437 Cb 0.58 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.41 2w3r h TRP 437 CO 0.12 0.19 -0.02 -0.91 -2.79 0.00 0.00 178.44 175.03 2w3r h ASN 438 N 0.65 -0.04 0.03 2.65 2.35 -1.24 -2.73 115.58 117.26 2w3r h ASN 438 Ca 0.49 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.16 2w3r h ASN 438 Cb 0.72 0.01 0.00 0.00 0.05 0.00 0.00 38.32 39.10 2w3r h ASN 438 CO -0.37 0.06 0.00 0.77 -1.65 0.00 0.00 177.43 176.23 2w3r h SER 439 N -0.14 0.00 0.56 5.81 4.64 -1.48 0.84 113.55 123.79 2w3r h SER 439 Ca -0.01 0.00 -0.27 0.00 -0.47 0.00 0.00 61.79 61.04 2w3r h SER 439 Cb 0.12 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.17 2w3r h SER 439 CO 0.01 0.00 -1.62 0.74 -0.87 0.00 0.00 176.83 175.09 2w3r h THR 440 N 0.00 0.87 -2.68 2.95 2.02 -1.40 -3.48 112.91 111.20 2w3r h THR 440 Ca 0.00 -2.68 -0.51 0.00 0.77 0.00 0.00 66.41 63.99 2w3r h THR 440 Cb 0.02 2.41 -0.01 0.00 -1.74 0.00 0.00 68.15 68.82 2w3r h THR 440 CO 0.00 0.50 -0.33 0.20 0.37 0.00 0.00 175.52 176.25 2w3r s ASN 441 N -6.11 6.35 0.00 4.18 -0.87 0.29 -5.01 114.94 113.77 2w3r s ASN 441 Ca -0.04 0.33 0.00 0.00 -1.57 0.00 0.00 52.86 51.58 2w3r s ASN 441 Cb 0.08 -1.98 0.00 0.00 -0.02 0.00 0.00 41.25 39.33 2w3r s ASN 441 CO 0.82 -0.09 0.00 -2.11 -2.57 0.00 0.00 177.10 173.15 2w3r n ARG 442 N -1.02 3.51 -0.03 -0.60 1.85 -1.26 -4.85 116.66 114.25 2w3r n ARG 442 Ca -0.06 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.59 2w3r n ARG 442 Cb 0.55 -0.47 -0.13 0.00 -1.05 0.00 0.00 32.46 31.35 2w3r n ARG 442 CO 0.00 0.00 0.00 2.41 -0.01 0.00 0.00 177.63 180.03 2w3r n THR 443 N -0.38 1.70 -4.46 8.89 -1.04 -1.26 -4.87 114.28 112.86 2w3r n THR 443 Ca 0.00 -0.63 -0.32 0.00 -2.04 0.00 0.00 64.05 61.07 2w3r n THR 443 Cb 0.00 -1.65 -0.11 0.00 -1.82 0.00 0.00 70.33 66.75 2w3r n THR 443 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2w3r s LEU 444 N -6.91 3.12 -0.01 -4.42 1.43 -1.26 -0.51 118.68 110.11 2w3r s LEU 444 Ca -0.26 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 52.69 2w3r s LEU 444 Cb 0.07 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.49 2w3r s LEU 444 CO 0.72 0.27 -0.12 0.00 0.23 0.00 0.00 176.35 177.46 2w3r s ALA 445 N -1.01 1.01 -0.01 4.21 0.00 -0.15 -4.75 121.76 121.07 2w3r s ALA 445 Ca 0.17 -0.49 -0.01 0.00 0.00 0.00 0.00 51.96 51.63 2w3r s ALA 445 Cb -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2w3r s ALA 445 CO 0.08 0.23 0.10 1.03 0.00 0.00 0.00 175.76 177.19 2w3r s ARG 446 N -0.17 3.14 0.01 0.00 0.52 -1.26 -0.18 118.95 121.01 2w3r s ARG 446 Ca 0.03 -0.45 0.01 0.00 -0.52 0.00 0.00 55.73 54.80 2w3r s ARG 446 Cb -0.06 -2.91 -0.01 0.00 0.52 0.00 0.00 34.95 32.50 2w3r s ARG 446 CO -0.00 0.65 -0.04 0.20 0.02 0.00 0.00 175.30 176.13 2w3r s GLY 447 N -1.76 0.26 -0.04 -3.53 0.00 -0.61 -4.35 107.32 97.29 2w3r s GLY 447 Ca 0.23 -0.35 -0.01 0.00 0.00 0.00 0.00 44.72 44.59 2w3r s GLY 447 CO 0.15 -0.36 0.07 -1.50 0.00 0.00 0.00 173.10 171.45 2w3r s ILE 448 N -0.58 -0.08 0.01 0.90 2.07 -1.26 -1.03 121.20 121.24 2w3r s ILE 448 Ca -0.04 0.25 -0.07 0.00 -1.41 0.00 0.00 60.65 59.39 2w3r s ILE 448 Cb -0.05 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.40 2w3r s ILE 448 CO -0.00 0.10 0.12 0.00 -1.91 0.00 0.00 174.94 173.25 2w3r s ALA 449 N 1.36 -0.24 -0.12 1.50 0.00 -0.98 -4.82 121.76 118.46 2w3r s ALA 449 Ca -0.06 -0.27 0.02 0.00 0.00 0.00 0.00 51.96 51.66 2w3r s ALA 449 Cb -0.12 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.15 2w3r s ALA 449 CO -0.04 -0.24 -0.20 -1.17 0.00 0.00 0.00 175.76 174.11 2w3r s LEU 450 N -1.59 2.31 -0.04 0.00 0.20 -1.26 -1.93 118.68 116.36 2w3r s LEU 450 Ca -0.12 -0.49 0.03 0.00 0.69 0.00 0.00 54.13 54.24 2w3r s LEU 450 Cb -0.06 -1.48 0.00 0.00 -0.43 0.00 0.00 46.19 44.22 2w3r s LEU 450 CO -0.00 0.15 -0.13 -0.94 -0.29 0.00 0.00 176.35 175.14 2w3r s SER 451 N 0.40 1.64 0.71 3.68 1.04 -0.93 -4.84 113.70 115.41 2w3r s SER 451 Ca -0.15 -0.26 -0.03 0.00 0.48 0.00 0.00 55.95 55.99 2w3r s SER 451 Cb -0.17 -0.49 0.11 0.00 0.10 0.00 0.00 66.02 65.57 2w3r s SER 451 CO 0.07 0.10 0.99 -2.16 0.98 0.00 0.00 173.24 173.21 2w3r s PRO 452 N 0.19 1.82 -0.01 4.02 0.04 -1.26 -2.34 135.00 137.45 2w3r s PRO 452 Ca -0.05 -0.83 0.03 0.00 0.04 0.00 0.00 61.00 60.20 2w3r s PRO 452 Cb -0.11 -2.28 -0.00 0.00 0.04 0.00 0.00 34.50 32.15 2w3r s PRO 452 CO 0.01 -1.38 -0.10 0.08 0.04 0.00 0.00 177.00 175.66 2w3r s VAL 453 N -3.17 0.81 -0.34 -0.36 1.01 0.17 -4.89 120.40 113.62 2w3r s VAL 453 Ca 0.64 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 62.21 2w3r s VAL 453 Cb -0.07 -0.69 0.14 0.00 0.00 0.00 0.00 36.38 35.76 2w3r s VAL 453 CO 0.44 0.24 0.25 -0.75 0.00 0.00 0.00 175.10 175.28 2w3r s LYS 454 N -0.10 0.51 -0.28 2.72 2.20 -1.26 -3.33 119.74 120.20 2w3r s LYS 454 Ca 0.02 -1.02 -0.06 0.00 -0.36 0.00 0.00 55.97 54.55 2w3r s LYS 454 Cb -0.06 -1.08 0.01 0.00 -1.51 0.00 0.00 37.83 35.19 2w3r s LYS 454 CO -0.00 -1.17 0.04 0.12 -0.36 0.00 0.00 175.35 173.98 2w3r s PHE 455 N 1.38 3.12 0.32 4.03 5.36 -0.76 -4.89 117.98 126.54 2w3r s PHE 455 Ca 0.16 -1.07 -0.28 0.00 -0.96 0.00 0.00 56.93 54.78 2w3r s PHE 455 Cb -0.19 -2.21 -0.09 0.00 -0.34 0.00 0.00 43.02 40.19 2w3r s PHE 455 CO -0.07 -0.60 1.12 0.20 -1.46 0.00 0.00 175.22 174.41 2w3r s GLY 456 N 1.47 2.98 -0.20 13.12 0.00 -1.26 -1.46 107.32 121.96 2w3r s GLY 456 Ca 0.02 0.91 -0.04 0.00 0.00 0.00 0.00 44.72 45.61 2w3r s GLY 456 CO 0.01 1.48 -0.02 -0.42 0.00 0.00 0.00 173.10 174.14 2w3r s ILE 457 N -1.27 3.75 0.00 0.90 -1.09 -0.02 -4.95 121.20 118.51 2w3r s ILE 457 Ca 0.49 -0.38 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 2w3r s ILE 457 Cb -0.31 -2.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.88 2w3r s ILE 457 CO 0.40 0.43 0.00 -1.20 -1.23 0.00 0.00 174.94 173.34 2w3r n SER 458 N 4.33 0.00 -4.69 3.58 7.64 -1.26 -1.42 113.62 121.80 2w3r n SER 458 Ca -0.17 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.28 2w3r n SER 458 Cb 0.52 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 2w3r n SER 458 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2w3r n PHE 459 N -1.63 2.64 0.22 1.43 3.01 -1.26 -4.85 117.46 117.03 2w3r n PHE 459 Ca 0.00 -0.15 0.07 0.00 1.01 0.00 0.00 57.45 58.37 2w3r n PHE 459 Cb 0.00 -2.74 0.52 0.00 -0.01 0.00 0.00 39.48 37.25 2w3r n PHE 459 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 2w3r h THR 460 N 4.65 0.99 -1.23 4.37 1.35 -1.97 -3.15 112.91 117.92 2w3r h THR 460 Ca -0.46 -0.83 -0.66 0.00 -0.55 0.00 0.00 66.41 63.90 2w3r h THR 460 Cb 1.22 1.47 -0.11 0.00 -1.73 0.00 0.00 68.15 69.00 2w3r h THR 460 CO 0.95 0.22 1.76 -0.22 -0.25 0.00 0.00 175.52 177.99 2w3r s LEU 461 N -8.03 3.99 0.28 3.87 1.98 -1.26 -4.92 118.68 114.59 2w3r s LEU 461 Ca -0.03 -2.17 0.01 0.00 -2.89 0.00 0.00 54.13 49.05 2w3r s LEU 461 Cb 0.14 -2.54 0.59 0.00 0.66 0.00 0.00 46.19 45.04 2w3r s LEU 461 CO 0.67 -1.21 1.78 0.74 -1.89 0.00 0.00 176.35 176.44 2w3r h THR 462 N 5.86 0.77 0.00 3.68 2.02 -1.93 -2.17 112.91 121.14 2w3r h THR 462 Ca 0.33 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 67.25 2w3r h THR 462 Cb 0.93 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2w3r h THR 462 CO 1.39 0.14 0.00 1.12 0.37 0.00 0.00 175.52 178.54 2w3r h HIS 463 N 0.75 0.00 0.00 3.16 2.07 -1.91 -0.27 115.15 118.95 2w3r h HIS 463 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 2w3r h HIS 463 Cb 0.68 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.66 2w3r h HIS 463 CO -0.05 0.00 0.00 1.28 -3.07 0.00 0.00 177.93 176.09 2w3r n LEU 464 N -2.85 0.00 -2.71 6.12 4.77 -0.82 -4.12 117.00 117.39 2w3r n LEU 464 Ca -0.02 0.38 -0.27 0.00 -0.03 0.00 0.00 56.01 56.07 2w3r n LEU 464 Cb 0.13 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.75 2w3r n LEU 464 CO 0.19 -0.18 2.34 0.59 -1.33 0.00 0.00 177.39 179.00 2w3r n ASN 465 N -1.38 7.00 -4.21 -1.43 3.02 -0.11 -4.73 115.26 113.43 2w3r n ASN 465 Ca 0.06 -2.70 -0.16 0.00 -0.03 0.00 0.00 54.58 51.75 2w3r n ASN 465 Cb 0.15 -1.43 -0.11 0.00 -0.61 0.00 0.00 39.78 37.77 2w3r n ASN 465 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2w3r s GLN 466 N 0.74 0.93 0.06 3.52 -2.07 -1.26 -0.87 119.66 120.72 2w3r s GLN 466 Ca 0.65 -1.22 -0.13 0.00 -1.82 0.00 0.00 55.36 52.85 2w3r s GLN 466 Cb 0.26 -0.67 0.02 0.00 -1.09 0.00 0.00 33.01 31.53 2w3r s GLN 466 CO -0.06 0.11 0.29 0.00 -1.32 0.00 0.00 175.29 174.30 2w3r s ALA 467 N -2.44 -0.61 0.02 2.60 0.00 0.46 -4.50 121.76 117.29 2w3r s ALA 467 Ca 0.08 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2w3r s ALA 467 Cb -0.03 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.48 2w3r s ALA 467 CO 0.01 -0.46 -0.10 0.20 0.00 0.00 0.00 175.76 175.41 2w3r s GLY 468 N -2.33 0.53 0.21 0.00 0.00 -1.26 -1.57 107.32 102.90 2w3r s GLY 468 Ca -0.02 -0.58 0.03 0.00 0.00 0.00 0.00 44.72 44.15 2w3r s GLY 468 CO -0.06 -0.55 0.01 0.00 0.00 0.00 0.00 173.10 172.50 2w3r s ALA 469 N -0.64 1.62 -0.07 3.20 0.00 0.21 -1.44 121.76 124.62 2w3r s ALA 469 Ca -0.00 -1.71 -0.03 0.00 0.00 0.00 0.00 51.96 50.22 2w3r s ALA 469 Cb -0.06 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.69 2w3r s ALA 469 CO 0.00 -0.31 0.15 -1.17 0.00 0.00 0.00 175.76 174.44 2w3r s LEU 470 N -3.25 0.31 -0.04 0.00 2.96 0.32 -0.87 118.68 118.11 2w3r s LEU 470 Ca 0.28 0.32 0.06 0.00 -0.22 0.00 0.00 54.13 54.56 2w3r s LEU 470 Cb 0.06 0.31 -0.01 0.00 0.50 0.00 0.00 46.19 47.06 2w3r s LEU 470 CO 0.07 -0.20 -0.22 -0.69 -1.32 0.00 0.00 176.35 173.99 2w3r s VAL 471 N 1.75 1.81 -0.03 1.68 1.01 0.57 -0.88 120.40 126.31 2w3r s VAL 471 Ca -0.03 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.08 2w3r s VAL 471 Cb -0.12 -1.53 -0.02 0.00 0.00 0.00 0.00 36.38 34.72 2w3r s VAL 471 CO -0.06 0.51 -0.26 -1.10 0.00 0.00 0.00 175.10 174.20 2w3r s GLN 472 N -0.20 2.24 -0.22 2.72 -1.52 -0.21 -1.51 119.66 120.95 2w3r s GLN 472 Ca -0.00 -0.92 0.01 0.00 -1.95 0.00 0.00 55.36 52.50 2w3r s GLN 472 Cb -0.12 -2.08 0.04 0.00 -0.22 0.00 0.00 33.01 30.63 2w3r s GLN 472 CO 0.02 0.51 -0.13 0.42 -0.25 0.00 0.00 175.29 175.86 2w3r s ILE 473 N -0.49 2.30 0.53 1.08 1.01 0.53 -1.51 121.20 124.64 2w3r s ILE 473 Ca 0.06 -1.21 -0.06 0.00 0.00 0.00 0.00 60.65 59.44 2w3r s ILE 473 Cb -0.11 -2.15 -0.03 0.00 0.01 0.00 0.00 42.46 40.18 2w3r s ILE 473 CO 0.00 0.26 0.85 -0.31 0.00 0.00 0.00 174.94 175.74 2w3r s TYR 474 N 1.23 3.51 0.56 3.97 1.51 -0.61 -4.75 117.35 122.77 2w3r s TYR 474 Ca -0.01 0.85 0.24 0.00 -1.01 0.00 0.00 57.07 57.15 2w3r s TYR 474 Cb -0.16 -2.46 1.61 0.00 -0.11 0.00 0.00 41.96 40.83 2w3r s TYR 474 CO -0.08 -0.46 2.22 1.79 -1.11 0.00 0.00 175.55 177.90 2w3r h THR 475 N 0.05 0.71 0.00 -0.71 1.35 -1.91 0.62 112.91 113.02 2w3r h THR 475 Ca -0.46 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2w3r h THR 475 Cb 1.21 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2w3r h THR 475 CO 0.62 0.00 0.00 -0.90 -0.25 0.00 0.00 175.52 174.99 2w3r n ASP 476 N -4.12 0.00 0.00 5.36 3.85 -1.26 -4.23 116.55 116.15 2w3r n ASP 476 Ca -0.03 -0.44 0.00 0.00 -0.71 0.00 0.00 54.79 53.61 2w3r n ASP 476 Cb 0.09 -0.12 0.00 0.00 -1.35 0.00 0.00 41.12 39.74 2w3r n ASP 476 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2w3r n GLY 477 N 0.51 3.20 3.77 6.12 0.00 0.21 -4.83 105.19 114.18 2w3r n GLY 477 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 2w3r n GLY 477 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2w3r s SER 478 N -1.10 5.33 -0.09 1.61 1.04 -1.25 -4.76 113.70 114.48 2w3r s SER 478 Ca 0.00 2.05 0.03 0.00 0.48 0.00 0.00 55.95 58.52 2w3r s SER 478 Cb 0.00 -2.56 0.01 0.00 0.10 0.00 0.00 66.02 63.57 2w3r s SER 478 CO 0.00 -1.48 -0.18 -0.69 0.98 0.00 0.00 173.24 171.87 2w3r s VAL 479 N -2.15 1.64 -0.30 5.02 1.01 0.59 -1.57 120.40 124.64 2w3r s VAL 479 Ca 0.69 -0.77 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2w3r s VAL 479 Cb -0.22 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 2w3r s VAL 479 CO 0.36 0.47 0.20 0.00 0.00 0.00 0.00 175.10 176.13 2w3r s ALA 480 N 0.54 3.51 -0.12 5.51 0.00 -0.57 -0.34 121.76 130.29 2w3r s ALA 480 Ca -0.16 -1.17 -0.02 0.00 0.00 0.00 0.00 51.96 50.61 2w3r s ALA 480 Cb -0.17 -2.52 -0.03 0.00 0.00 0.00 0.00 23.12 20.40 2w3r s ALA 480 CO 0.06 -0.67 -0.04 -1.17 0.00 0.00 0.00 175.76 173.94 2w3r s LEU 481 N 1.74 3.31 -0.04 0.00 2.96 0.49 -1.04 118.68 126.10 2w3r s LEU 481 Ca 0.07 -0.04 -0.03 0.00 -0.22 0.00 0.00 54.13 53.91 2w3r s LEU 481 Cb -0.16 -1.77 0.01 0.00 0.50 0.00 0.00 46.19 44.77 2w3r s LEU 481 CO 0.11 0.26 0.09 0.21 -1.32 0.00 0.00 176.35 175.70 2w3r s ASN 482 N -0.19 -0.09 0.00 3.68 3.84 -0.06 -1.54 114.94 120.58 2w3r s ASN 482 Ca 0.04 0.18 0.00 0.00 0.21 0.00 0.00 52.86 53.29 2w3r s ASN 482 Cb -0.13 0.17 0.00 0.00 -0.55 0.00 0.00 41.25 40.74 2w3r s ASN 482 CO 0.02 -0.05 0.00 0.00 -2.79 0.00 0.00 177.10 174.29 2w3r n HIS 483 N 3.20 -0.01 -0.04 0.43 1.44 -1.26 0.12 115.22 119.09 2w3r n HIS 483 Ca -0.14 0.00 0.02 0.00 -2.01 0.00 0.00 57.72 55.59 2w3r n HIS 483 Cb 0.58 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.54 2w3r n HIS 483 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2w3r n GLY 484 N 0.00 -1.02 3.74 -1.39 0.00 -0.52 -4.57 105.19 101.42 2w3r n GLY 484 Ca 0.00 -0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.30 2w3r n GLY 484 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2w3r s GLY 485 N -4.90 1.62 0.01 -0.02 0.00 -1.26 -4.89 107.32 97.88 2w3r s GLY 485 Ca -0.08 -0.06 0.05 0.00 0.00 0.00 0.00 44.72 44.64 2w3r s GLY 485 CO 0.87 0.41 -0.17 -0.51 0.00 0.00 0.00 173.10 173.70 2w3r s THR 486 N -2.97 1.32 -0.52 0.90 -4.23 -1.26 -4.77 115.64 104.11 2w3r s THR 486 Ca 0.63 -0.84 -0.24 0.00 -1.18 0.00 0.00 61.69 60.06 2w3r s THR 486 Cb -0.17 -1.13 0.04 0.00 1.34 0.00 0.00 72.50 72.58 2w3r s THR 486 CO 0.56 0.27 0.91 -0.70 -0.54 0.00 0.00 174.62 175.12 2w3r s GLU 487 N -0.65 3.36 0.00 3.99 2.56 -1.26 -4.82 118.70 121.88 2w3r s GLU 487 Ca 0.06 -0.21 0.11 0.00 0.00 0.00 0.00 54.97 54.92 2w3r s GLU 487 Cb -0.07 -4.02 0.29 0.00 2.00 0.00 0.00 34.13 32.33 2w3r s GLU 487 CO 0.00 -1.39 1.23 0.00 -0.56 0.00 0.00 175.26 174.54 2w3r n MET 488 N 7.27 2.72 0.00 4.30 0.00 -1.26 0.75 117.12 130.91 2w3r n MET 488 Ca 0.02 -2.00 0.00 0.00 0.00 0.00 0.00 57.70 55.73 2w3r n MET 488 Cb 0.48 -1.27 0.00 0.00 0.00 0.00 0.00 33.22 32.43 2w3r n MET 488 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2w3r n GLY 489 N 0.53 1.11 0.00 3.17 0.00 -1.26 -3.25 105.19 105.48 2w3r n GLY 489 Ca 0.11 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.19 2w3r n GLY 489 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2w3r n GLN 490 N -0.51 0.08 -2.18 1.61 0.00 -1.26 -4.83 117.38 110.28 2w3r n GLN 490 Ca 0.00 0.24 -0.04 0.00 0.00 0.00 0.00 57.00 57.20 2w3r n GLN 490 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 30.24 28.74 2w3r n GLN 490 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2w3r n GLY 491 N -0.31 0.29 0.17 2.61 0.00 -1.26 -4.96 105.19 101.73 2w3r n GLY 491 Ca 0.04 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.28 2w3r n GLY 491 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2w3r h LEU 492 N -0.09 0.46 0.17 0.99 5.85 -1.90 -2.51 115.31 118.29 2w3r h LEU 492 Ca -0.10 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.47 2w3r h LEU 492 Cb 1.07 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2w3r h LEU 492 CO 0.11 0.50 -0.23 0.45 -0.34 0.00 0.00 178.44 178.92 2w3r h HIS 493 N 0.39 -0.61 -0.74 1.25 3.86 -1.93 -0.42 115.15 116.95 2w3r h HIS 493 Ca 0.11 0.01 0.16 0.00 -1.16 0.00 0.00 60.37 59.49 2w3r h HIS 493 Cb 0.18 0.25 -0.11 0.00 1.06 0.00 0.00 27.41 28.79 2w3r h HIS 493 CO -0.01 -0.33 0.20 0.00 0.86 0.00 0.00 177.93 178.65 2w3r h ALA 494 N 0.27 0.97 -0.71 2.45 0.00 -1.89 0.51 119.26 120.86 2w3r h ALA 494 Ca 0.01 0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 2w3r h ALA 494 Cb 0.46 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2w3r h ALA 494 CO -0.09 -0.32 0.38 0.87 0.00 0.00 0.00 179.25 180.09 2w3r h LYS 495 N 0.30 1.00 -0.68 0.00 1.57 -0.98 -2.46 116.57 115.32 2w3r h LYS 495 Ca 0.42 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 59.01 2w3r h LYS 495 Cb 0.70 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.79 2w3r h LYS 495 CO -0.49 0.75 0.19 0.52 -0.57 0.00 0.00 179.45 179.85 2w3r h MET 496 N 0.98 1.07 -0.05 3.15 2.86 0.73 -2.31 114.93 121.36 2w3r h MET 496 Ca 0.25 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2w3r h MET 496 Cb 0.05 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.55 2w3r h MET 496 CO -0.04 0.94 -0.05 0.28 1.06 0.00 0.00 176.91 179.11 2w3r h VAL 497 N 1.01 0.86 -0.74 -2.22 2.07 -0.97 -1.85 116.25 114.41 2w3r h VAL 497 Ca 0.22 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 2w3r h VAL 497 Cb 0.33 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 2w3r h VAL 497 CO -0.00 0.00 0.49 1.56 0.02 0.00 0.00 177.57 179.63 2w3r h GLN 498 N -0.06 0.66 0.42 1.57 4.20 -1.13 0.33 115.11 121.11 2w3r h GLN 498 Ca 0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 2w3r h GLN 498 Cb 0.11 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.75 2w3r h GLN 498 CO -0.09 0.44 -0.20 0.28 -0.67 0.00 0.00 178.83 178.59 2w3r h VAL 499 N 0.68 0.50 -0.39 -0.54 2.07 -1.16 -1.95 116.25 115.46 2w3r h VAL 499 Ca 0.33 -0.47 0.06 0.00 0.82 0.00 0.00 66.70 67.45 2w3r h VAL 499 Cb 0.40 0.70 -0.06 0.00 -1.52 0.00 0.00 31.29 30.81 2w3r h VAL 499 CO -0.12 0.07 0.05 0.00 0.02 0.00 0.00 177.57 177.60 2w3r h ALA 500 N -0.47 0.40 -0.89 1.67 0.00 -0.48 -0.35 119.26 119.14 2w3r h ALA 500 Ca -0.06 0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.99 2w3r h ALA 500 Cb 0.56 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 2w3r h ALA 500 CO 0.10 -0.35 0.57 0.00 0.00 0.00 0.00 179.25 179.56 2w3r h ALA 501 N 1.31 1.19 -0.57 0.00 0.00 -0.45 -2.01 119.26 118.74 2w3r h ALA 501 Ca 0.19 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2w3r h ALA 501 Cb 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 2w3r h ALA 501 CO -0.28 0.39 -0.06 0.00 0.00 0.00 0.00 179.25 179.31 2w3r h ALA 502 N 1.38 0.81 0.00 0.00 0.00 -0.52 -0.83 119.26 120.10 2w3r h ALA 502 Ca 0.37 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 2w3r h ALA 502 Cb 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2w3r h ALA 502 CO -0.14 0.67 -0.42 0.28 0.00 0.00 0.00 179.25 179.65 2w3r h VAL 503 N 0.94 1.02 0.00 0.00 2.07 -0.64 -3.15 116.25 116.49 2w3r h VAL 503 Ca 0.16 -1.60 0.00 0.00 0.82 0.00 0.00 66.70 66.07 2w3r h VAL 503 Cb 0.62 1.94 0.00 0.00 -1.52 0.00 0.00 31.29 32.33 2w3r h VAL 503 CO 0.04 0.41 -1.20 0.18 0.02 0.00 0.00 177.57 177.02 2w3r n LEU 504 N -3.63 0.61 -1.12 2.57 4.77 -0.80 -4.85 117.00 114.55 2w3r n LEU 504 Ca -0.01 -0.34 -0.07 0.00 -0.03 0.00 0.00 56.01 55.56 2w3r n LEU 504 Cb 0.52 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.62 2w3r n LEU 504 CO 0.38 0.15 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 2w3r n GLY 505 N 1.43 0.31 3.52 -0.72 0.00 -0.42 -4.50 105.19 104.80 2w3r n GLY 505 Ca 0.01 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.29 2w3r n GLY 505 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 2w3r s ILE 506 N -2.74 2.02 0.27 -0.61 -4.36 -0.59 0.01 121.20 115.20 2w3r s ILE 506 Ca 0.10 -2.16 -0.29 0.00 -0.26 0.00 0.00 60.65 58.04 2w3r s ILE 506 Cb -0.04 -2.64 -0.10 0.00 1.25 0.00 0.00 42.46 40.93 2w3r s ILE 506 CO 0.12 -0.20 1.34 -0.62 0.24 0.00 0.00 174.94 175.82 2w3r s ASP 507 N -3.57 6.78 0.51 4.36 -1.08 -1.26 -4.53 116.67 117.89 2w3r s ASP 507 Ca 0.32 2.60 0.32 0.00 -0.52 0.00 0.00 52.55 55.27 2w3r s ASP 507 Cb 0.04 -2.63 1.45 0.00 -1.46 0.00 0.00 42.92 40.32 2w3r s ASP 507 CO 0.15 -0.57 1.81 1.55 0.52 0.00 0.00 175.17 178.63 2w3r h PRO 508 N 4.35 0.08 -0.75 4.34 0.13 -1.90 0.15 132.00 138.39 2w3r h PRO 508 Ca -0.47 -0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.77 2w3r h PRO 508 Cb 1.22 -0.02 -0.05 0.00 0.13 0.00 0.00 31.00 32.28 2w3r h PRO 508 CO 0.72 0.05 0.49 0.28 -0.23 0.00 0.00 178.00 179.32 2w3r h VAL 509 N 0.08 0.89 0.00 1.56 2.07 -1.99 0.71 116.25 119.58 2w3r h VAL 509 Ca 0.56 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.88 2w3r h VAL 509 Cb 2.05 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.07 2w3r h VAL 509 CO -0.07 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.63 2w3r n GLN 510 N -4.50 0.10 -4.19 1.57 1.13 0.52 -4.65 117.38 107.36 2w3r n GLN 510 Ca 0.13 0.42 -0.34 0.00 -1.94 0.00 0.00 57.00 55.27 2w3r n GLN 510 Cb 0.39 -1.73 -0.12 0.00 0.11 0.00 0.00 30.24 28.89 2w3r n GLN 510 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 2w3r s VAL 511 N -3.22 4.06 0.01 5.09 1.01 0.24 -0.30 120.40 127.28 2w3r s VAL 511 Ca 0.03 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.74 2w3r s VAL 511 Cb 0.08 -2.81 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 2w3r s VAL 511 CO 0.27 0.46 0.01 -0.60 0.00 0.00 0.00 175.10 175.23 2w3r s ARG 512 N 0.66 2.79 -0.19 2.72 6.06 0.54 -4.98 118.95 126.55 2w3r s ARG 512 Ca -0.00 -0.62 -0.10 0.00 -2.50 0.00 0.00 55.73 52.50 2w3r s ARG 512 Cb -0.14 -2.67 -0.05 0.00 0.06 0.00 0.00 34.95 32.15 2w3r s ARG 512 CO 0.02 0.62 0.16 -1.50 -2.50 0.00 0.00 175.30 172.10 2w3r s ILE 513 N -1.12 5.40 0.32 4.11 1.10 -1.26 -0.38 121.20 129.38 2w3r s ILE 513 Ca 0.20 0.25 0.02 0.00 -0.51 0.00 0.00 60.65 60.61 2w3r s ILE 513 Cb -0.12 -3.49 -0.03 0.00 0.15 0.00 0.00 42.46 38.98 2w3r s ILE 513 CO 0.11 0.44 0.50 0.42 -2.11 0.00 0.00 174.94 174.30 2w3r s THR 514 N 0.30 4.97 0.61 4.00 -4.23 -0.59 -4.95 115.64 115.75 2w3r s THR 514 Ca 0.10 -0.67 -0.18 0.00 -1.18 0.00 0.00 61.69 59.75 2w3r s THR 514 Cb -0.11 -3.79 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 2w3r s THR 514 CO -0.01 -0.44 1.23 0.00 -0.54 0.00 0.00 174.62 174.86 2w3r s ALA 515 N -2.23 2.48 0.16 3.99 0.00 -1.26 -4.82 121.76 120.09 2w3r s ALA 515 Ca 0.39 1.04 -0.31 0.00 0.00 0.00 0.00 51.96 53.09 2w3r s ALA 515 Cb -0.09 -3.47 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2w3r s ALA 515 CO 0.34 -1.30 1.42 0.99 0.00 0.00 0.00 175.76 177.21 2w3r s THR 516 N -1.58 3.05 -0.17 0.00 2.01 0.65 -4.82 115.64 114.78 2w3r s THR 516 Ca 0.78 0.79 -0.07 0.00 0.31 0.00 0.00 61.69 63.50 2w3r s THR 516 Cb -0.32 -3.51 0.08 0.00 0.01 0.00 0.00 72.50 68.76 2w3r s THR 516 CO 0.35 0.08 0.38 -0.62 -0.69 0.00 0.00 174.62 174.12 2w3r s ASP 517 N 0.89 -0.19 0.50 3.53 3.68 -1.26 -0.30 116.67 123.52 2w3r s ASP 517 Ca 0.64 0.87 0.29 0.00 2.13 0.00 0.00 52.55 56.47 2w3r s ASP 517 Cb -0.39 1.05 1.24 0.00 -1.45 0.00 0.00 42.92 43.37 2w3r s ASP 517 CO 0.33 -0.22 1.95 0.71 0.13 0.00 0.00 175.17 178.08 2w3r h THR 518 N 6.05 0.37 0.00 1.71 1.35 -1.65 0.45 112.91 121.18 2w3r h THR 518 Ca -0.21 -0.76 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 2w3r h THR 518 Cb 1.13 1.56 0.00 0.00 -1.73 0.00 0.00 68.15 69.11 2w3r h THR 518 CO 0.17 0.12 -0.55 -1.54 -0.25 0.00 0.00 175.52 173.48 2w3r n SER 519 N -3.34 0.67 -0.09 5.36 3.41 -1.26 -3.58 113.62 114.79 2w3r n SER 519 Ca -0.00 0.14 -0.17 0.00 -0.26 0.00 0.00 58.87 58.57 2w3r n SER 519 Cb 0.33 0.07 -0.09 0.00 -0.26 0.00 0.00 64.21 64.26 2w3r n SER 519 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2w3r h LYS 520 N 0.00 0.00 -4.39 4.33 1.57 -1.76 -3.46 116.57 112.85 2w3r h LYS 520 Ca 0.00 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 58.23 2w3r h LYS 520 Cb 0.72 0.00 -0.36 0.00 0.08 0.00 0.00 32.23 32.66 2w3r h LYS 520 CO 0.00 0.76 -0.81 0.08 -0.57 0.00 0.00 179.45 178.91 2w3r s VAL 521 N -2.29 1.20 0.27 0.50 1.01 0.07 -4.90 120.40 116.26 2w3r s VAL 521 Ca -0.24 -0.41 0.06 0.00 0.00 0.00 0.00 61.98 61.39 2w3r s VAL 521 Cb 0.04 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.22 2w3r s VAL 521 CO 0.50 0.39 0.36 -2.16 0.00 0.00 0.00 175.10 174.20 2w3r s PRO 522 N 1.52 3.23 -1.38 2.72 0.04 -1.23 -4.08 135.00 135.81 2w3r s PRO 522 Ca 0.03 -0.91 -0.07 0.00 0.04 0.00 0.00 61.00 60.08 2w3r s PRO 522 Cb -0.13 -2.79 0.03 0.00 0.04 0.00 0.00 34.50 31.65 2w3r s PRO 522 CO -0.07 0.30 1.01 0.09 0.04 0.00 0.00 177.00 178.37 2w3r n ASN 523 N -1.44 -4.28 -4.87 6.66 3.02 -1.26 -4.89 115.26 108.20 2w3r n ASN 523 Ca -0.06 -0.67 -0.31 0.00 -0.03 0.00 0.00 54.58 53.50 2w3r n ASN 523 Cb 0.58 -4.53 -0.05 0.00 -0.61 0.00 0.00 39.78 35.16 2w3r n ASN 523 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2w3r s THR 524 N -3.38 4.84 1.08 3.41 -4.23 -1.26 -4.98 115.64 111.11 2w3r s THR 524 Ca 0.41 0.60 -0.18 0.00 -1.18 0.00 0.00 61.69 61.34 2w3r s THR 524 Cb -0.19 -3.65 0.26 0.00 1.34 0.00 0.00 72.50 70.26 2w3r s THR 524 CO 0.77 -0.23 1.04 -1.20 -0.54 0.00 0.00 174.62 174.47 2w3r n SER 525 N -0.53 -1.61 -4.79 3.99 7.64 -1.26 -4.62 113.62 112.44 2w3r n SER 525 Ca 0.02 -1.17 -0.36 0.00 1.01 0.00 0.00 58.87 58.37 2w3r n SER 525 Cb 0.53 -0.92 -0.04 0.00 -1.01 0.00 0.00 64.21 62.77 2w3r n SER 525 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2w3r s ALA 526 N -3.20 3.03 -0.76 -0.43 0.00 -1.26 -4.81 121.76 114.33 2w3r s ALA 526 Ca 0.65 0.68 -0.26 0.00 0.00 0.00 0.00 51.96 53.03 2w3r s ALA 526 Cb -0.05 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.82 2w3r s ALA 526 CO 0.49 -0.24 1.46 0.99 0.00 0.00 0.00 175.76 178.47 2w3r s THR 527 N -1.75 3.66 0.15 0.00 2.01 -0.26 -4.85 115.64 114.60 2w3r s THR 527 Ca 0.60 0.16 -0.24 0.00 0.31 0.00 0.00 61.69 62.52 2w3r s THR 527 Cb -0.20 -4.68 0.07 0.00 0.01 0.00 0.00 72.50 67.70 2w3r s THR 527 CO 0.25 -1.62 1.03 0.00 -0.69 0.00 0.00 174.62 173.59 2w3r s ALA 528 N 6.57 -1.69 -1.91 7.40 0.00 -1.26 -4.94 121.76 125.93 2w3r s ALA 528 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.40 2w3r s ALA 528 Cb -0.08 0.66 0.00 0.00 0.00 0.00 0.00 23.12 23.71 2w3r s ALA 528 CO 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 175.76 174.82 2w3r n ALA 529 N -0.57 -0.50 -4.10 0.00 0.00 -1.26 -2.73 120.51 111.35 2w3r n ALA 529 Ca -0.05 0.23 -0.31 0.00 0.00 0.00 0.00 53.44 53.31 2w3r n ALA 529 Cb 0.60 -2.13 -0.03 0.00 0.00 0.00 0.00 19.45 17.90 2w3r n ALA 529 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2w3r n SER 530 N -1.72 -1.75 -0.03 0.00 7.64 -1.26 -4.19 113.62 112.30 2w3r n SER 530 Ca -0.23 -1.02 0.02 0.00 1.01 0.00 0.00 58.87 58.65 2w3r n SER 530 Cb 0.68 -2.86 -0.10 0.00 -1.01 0.00 0.00 64.21 60.93 2w3r n SER 530 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2w3r n SER 531 N -2.82 2.01 -0.37 6.43 3.41 -1.10 -4.62 113.62 116.55 2w3r n SER 531 Ca -0.12 0.00 -0.01 0.00 -0.26 0.00 0.00 58.87 58.47 2w3r n SER 531 Cb 0.59 1.29 0.04 0.00 -0.26 0.00 0.00 64.21 65.87 2w3r n SER 531 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2w3r h GLY 532 N 2.40 0.07 0.97 5.00 0.00 -1.90 0.11 103.07 109.71 2w3r h GLY 532 Ca -0.13 0.51 -0.07 0.00 0.00 0.00 0.00 47.33 47.65 2w3r h GLY 532 CO 0.01 -0.21 -0.01 0.00 0.00 0.00 0.00 176.54 176.33 2w3r h ALA 533 N 1.35 0.58 0.54 3.60 0.00 -1.94 -2.79 119.26 120.60 2w3r h ALA 533 Ca 0.34 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2w3r h ALA 533 Cb 0.60 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.23 2w3r h ALA 533 CO -0.96 0.37 -0.26 -0.44 0.00 0.00 0.00 179.25 177.96 2w3r h ASP 534 N 0.60 -0.61 0.19 0.00 5.19 -1.14 -1.95 116.42 118.70 2w3r h ASP 534 Ca 0.12 -0.01 -0.35 0.00 -0.62 0.00 0.00 57.03 56.17 2w3r h ASP 534 Cb 0.50 0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.17 2w3r h ASP 534 CO 0.02 -0.39 -1.78 0.24 -3.12 0.00 0.00 179.24 174.21 2w3r h MET 535 N -0.80 0.37 -0.39 3.56 2.86 -1.15 -2.79 114.93 116.59 2w3r h MET 535 Ca -0.07 -0.63 -0.11 0.00 -2.06 0.00 0.00 59.70 56.82 2w3r h MET 535 Cb 0.59 0.24 -0.01 0.00 0.06 0.00 0.00 31.60 32.47 2w3r h MET 535 CO 0.12 1.30 -0.22 -0.91 1.06 0.00 0.00 176.91 178.26 2w3r h ASN 536 N 0.10 0.77 -0.91 1.22 2.35 -1.65 0.47 115.58 117.95 2w3r h ASN 536 Ca -0.35 -0.28 0.09 0.00 -0.55 0.00 0.00 56.30 55.21 2w3r h ASN 536 Cb 2.09 -0.21 -0.07 0.00 0.05 0.00 0.00 38.32 40.17 2w3r h ASN 536 CO 0.16 0.97 0.55 1.23 -1.65 0.00 0.00 177.43 178.70 2w3r h GLY 537 N 0.97 1.42 1.01 2.83 0.00 -1.41 0.44 103.07 108.33 2w3r h GLY 537 Ca 0.09 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.85 2w3r h GLY 537 CO 0.06 0.18 -0.72 -0.33 0.00 0.00 0.00 176.54 175.73 2w3r h MET 538 N 0.93 0.62 -0.43 4.80 2.86 -1.19 -2.22 114.93 120.29 2w3r h MET 538 Ca 0.43 -0.56 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 2w3r h MET 538 Cb 0.35 0.14 -0.02 0.00 0.06 0.00 0.00 31.60 32.13 2w3r h MET 538 CO -0.23 1.18 0.07 0.00 1.06 0.00 0.00 176.91 178.98 2w3r h ALA 539 N 0.45 1.31 0.17 6.32 0.00 -0.29 -0.81 119.26 126.41 2w3r h ALA 539 Ca -0.07 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 2w3r h ALA 539 Cb 1.37 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2w3r h ALA 539 CO 0.14 0.48 -0.08 0.28 0.00 0.00 0.00 179.25 180.07 2w3r h VAL 540 N 0.64 0.95 -0.50 0.00 2.07 -0.20 -2.63 116.25 116.58 2w3r h VAL 540 Ca 0.14 -0.57 0.14 0.00 0.82 0.00 0.00 66.70 67.24 2w3r h VAL 540 Cb 0.30 1.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.34 2w3r h VAL 540 CO 0.00 0.13 0.44 0.50 0.02 0.00 0.00 177.57 178.67 2w3r h LYS 541 N -0.50 0.00 -0.01 1.57 3.64 -0.98 -1.24 116.57 119.05 2w3r h LYS 541 Ca -0.02 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 2w3r h LYS 541 Cb 0.38 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2w3r h LYS 541 CO 0.04 0.00 -0.10 0.22 -2.27 0.00 0.00 179.45 177.33 2w3r h ASP 542 N 0.00 0.11 -0.16 4.20 3.58 -0.98 -2.11 116.42 121.06 2w3r h ASP 542 Ca 0.24 -0.73 -0.05 0.00 0.42 0.00 0.00 57.03 56.90 2w3r h ASP 542 Cb 1.12 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 42.12 2w3r h ASP 542 CO -0.00 0.82 -0.05 0.00 -2.88 0.00 0.00 179.24 177.13 2w3r h ALA 543 N 0.28 1.37 0.03 -0.78 0.00 -0.93 -1.92 119.26 117.32 2w3r h ALA 543 Ca -0.01 -0.21 -0.28 0.00 0.00 0.00 0.00 54.91 54.41 2w3r h ALA 543 Cb 0.83 -0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.51 2w3r h ALA 543 CO 0.02 0.43 -1.10 0.00 0.00 0.00 0.00 179.25 178.61 2w3r h GLU 545 N 0.37 0.23 -0.49 0.00 5.08 -1.27 0.61 114.58 119.10 2w3r h GLU 545 Ca -0.14 -0.08 -0.10 0.00 -1.00 0.00 0.00 59.36 58.04 2w3r h GLU 545 Cb 1.75 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.97 2w3r h GLU 545 CO 0.21 0.49 -0.10 1.15 -1.00 0.00 0.00 179.01 179.76 2w3r h THR 546 N 0.21 1.26 0.37 1.13 2.02 -1.36 -0.04 112.91 116.50 2w3r h THR 546 Ca 0.03 -1.20 -0.02 0.00 0.77 0.00 0.00 66.41 65.99 2w3r h THR 546 Cb 0.59 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.99 2w3r h THR 546 CO 0.04 0.42 -0.18 -0.07 0.37 0.00 0.00 175.52 176.10 2w3r h LEU 547 N 0.81 -0.42 -1.67 2.58 3.38 -0.89 -2.91 115.31 116.20 2w3r h LEU 547 Ca 0.13 -0.08 0.41 0.00 0.09 0.00 0.00 57.88 58.44 2w3r h LEU 547 Cb 0.62 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.38 2w3r h LEU 547 CO 0.04 0.03 0.94 -0.09 0.09 0.00 0.00 178.44 179.45 2w3r h ARG 548 N -1.06 0.10 -0.08 1.13 2.43 0.15 -0.30 114.38 116.74 2w3r h ARG 548 Ca -0.05 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.10 2w3r h ARG 548 Cb 0.47 -0.02 -0.00 0.00 -0.42 0.00 0.00 29.97 29.99 2w3r h ARG 548 CO 0.08 0.07 0.01 0.78 -1.51 0.00 0.00 179.97 179.40 2w3r h GLY 549 N 0.10 0.14 0.98 2.80 0.00 -0.92 -1.95 103.07 104.22 2w3r h GLY 549 Ca 0.74 -0.09 -0.03 0.00 0.00 0.00 0.00 47.33 47.95 2w3r h GLY 549 CO -0.21 0.09 0.22 3.21 0.00 0.00 0.00 176.54 179.84 2w3r h ARG 550 N -0.12 0.78 -0.59 4.80 3.08 -0.86 -2.01 114.38 119.46 2w3r h ARG 550 Ca 0.02 -0.14 -0.05 0.00 0.07 0.00 0.00 59.98 59.88 2w3r h ARG 550 Cb 0.29 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2w3r h ARG 550 CO 0.00 0.68 0.16 -0.07 -1.07 0.00 0.00 179.97 179.66 2w3r h LEU 551 N 0.71 0.88 -0.21 3.04 3.38 -1.44 -1.43 115.31 120.23 2w3r h LEU 551 Ca 0.18 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2w3r h LEU 551 Cb 0.18 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2w3r h LEU 551 CO -0.02 0.87 0.11 0.00 0.09 0.00 0.00 178.44 179.50 2w3r h ALA 552 N 1.04 0.27 -0.67 1.53 0.00 -1.21 -0.67 119.26 119.54 2w3r h ALA 552 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2w3r h ALA 552 Cb 0.33 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2w3r h ALA 552 CO -0.00 -0.20 0.42 0.78 0.00 0.00 0.00 179.25 180.25 2w3r h GLY 553 N 0.23 0.96 0.62 0.00 0.00 -1.22 0.39 103.07 104.04 2w3r h GLY 553 Ca 0.07 -0.38 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2w3r h GLY 553 CO -0.01 0.37 -0.03 -2.75 0.00 0.00 0.00 176.54 174.12 2w3r h PHE 554 N 0.92 -0.07 -0.86 5.60 3.57 -0.95 -0.70 116.94 124.45 2w3r h PHE 554 Ca 0.24 -0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.74 2w3r h PHE 554 Cb -0.06 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 38.66 2w3r h PHE 554 CO 0.00 0.31 0.52 0.28 -2.23 0.00 0.00 178.31 177.19 2w3r h VAL 555 N -0.45 1.24 -0.55 1.41 2.07 -0.95 -0.22 116.25 118.80 2w3r h VAL 555 Ca -0.01 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2w3r h VAL 555 Cb 0.41 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2w3r h VAL 555 CO 0.01 0.25 0.33 0.00 0.02 0.00 0.00 177.57 178.18 2w3r h ALA 556 N 1.28 0.70 -0.17 1.67 0.00 -0.17 0.56 119.26 123.13 2w3r h ALA 556 Ca 0.31 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 55.01 2w3r h ALA 556 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2w3r h ALA 556 CO -0.06 0.19 -0.40 0.00 0.00 0.00 0.00 179.25 178.98 2w3r h ALA 557 N 1.16 0.28 0.00 0.00 0.00 -0.94 0.75 119.26 120.50 2w3r h ALA 557 Ca 0.20 -0.45 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 2w3r h ALA 557 Cb -0.01 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2w3r h ALA 557 CO -0.04 0.38 -0.17 -0.09 0.00 0.00 0.00 179.25 179.33 2w3r h ARG 558 N 0.24 0.00 -0.01 0.00 1.12 -0.97 -3.01 114.38 111.75 2w3r h ARG 558 Ca -0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2w3r h ARG 558 Cb 1.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.97 2w3r h ARG 558 CO 0.09 0.17 0.00 0.39 -3.11 0.00 0.00 179.97 177.51 2w3r n GLU 559 N -3.55 0.20 -2.89 0.20 -0.58 0.18 -5.07 120.64 109.13 2w3r n GLU 559 Ca -0.01 -1.01 -0.10 0.00 -0.42 0.00 0.00 57.16 55.62 2w3r n GLU 559 Cb 0.32 -1.16 0.01 0.00 -0.57 0.00 0.00 31.44 30.04 2w3r n GLU 559 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2w3r n GLY 560 N 0.48 -1.30 0.00 0.62 0.00 0.25 -4.93 105.19 100.31 2w3r n GLY 560 Ca 0.05 1.24 0.00 0.00 0.00 0.00 0.00 46.02 47.31 2w3r n GLY 560 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3r s ALA 562 N -1.73 3.63 0.43 0.00 0.00 -1.26 -4.52 121.76 118.30 2w3r s ALA 562 Ca 0.00 1.30 0.09 0.00 0.00 0.00 0.00 51.96 53.35 2w3r s ALA 562 Cb 0.00 -3.55 0.94 0.00 0.00 0.00 0.00 23.12 20.51 2w3r s ALA 562 CO 0.00 -0.71 2.06 0.00 0.00 0.00 0.00 175.76 177.11 2w3r h ALA 563 N 5.30 1.74 0.00 0.00 0.00 -1.92 -0.73 119.26 123.65 2w3r h ALA 563 Ca -0.45 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2w3r h ALA 563 Cb 1.22 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2w3r h ALA 563 CO 0.79 0.22 0.00 2.89 0.00 0.00 0.00 179.25 183.15 2w3r n ARG 564 N -4.46 0.44 0.00 0.00 1.85 -1.26 -1.98 116.66 111.25 2w3r n ARG 564 Ca 0.01 0.05 0.11 0.00 -1.00 0.00 0.00 57.85 57.03 2w3r n ARG 564 Cb 0.09 -1.50 0.04 0.00 -1.05 0.00 0.00 32.46 30.05 2w3r n ARG 564 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2w3r n ASP 565 N -1.13 1.80 -4.68 2.89 8.00 -0.28 -4.88 116.55 118.27 2w3r n ASP 565 Ca 0.12 -1.38 -0.43 0.00 0.71 0.00 0.00 54.79 53.81 2w3r n ASP 565 Cb 0.10 0.46 -0.02 0.00 -0.02 0.00 0.00 41.12 41.64 2w3r n ASP 565 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2w3r s VAL 566 N -2.52 4.59 -0.22 2.53 1.01 -0.84 -4.68 120.40 120.27 2w3r s VAL 566 Ca 0.18 1.89 -0.02 0.00 0.00 0.00 0.00 61.98 64.03 2w3r s VAL 566 Cb 0.18 -4.22 0.01 0.00 0.00 0.00 0.00 36.38 32.36 2w3r s VAL 566 CO 0.59 -0.04 -0.08 -0.63 0.00 0.00 0.00 175.10 174.93 2w3r s ILE 567 N 2.39 2.91 -0.22 2.22 1.01 0.15 -4.94 121.20 124.71 2w3r s ILE 567 Ca 0.50 -0.79 -0.13 0.00 0.00 0.00 0.00 60.65 60.23 2w3r s ILE 567 Cb -0.20 -2.37 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 2w3r s ILE 567 CO 0.17 0.36 0.27 -0.36 0.00 0.00 0.00 174.94 175.38 2w3r s PHE 568 N 1.38 3.35 -0.19 3.97 0.40 -1.26 -0.06 117.98 125.56 2w3r s PHE 568 Ca 0.03 0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 56.49 2w3r s PHE 568 Cb -0.15 -2.39 0.13 0.00 0.51 0.00 0.00 43.02 41.12 2w3r s PHE 568 CO -0.06 0.04 1.03 0.34 0.70 0.00 0.00 175.22 177.27 2w3r s ASP 569 N 1.03 -0.37 -1.73 1.36 -1.08 -0.54 -4.50 116.67 110.84 2w3r s ASP 569 Ca 0.13 0.48 -0.17 0.00 -0.52 0.00 0.00 52.55 52.48 2w3r s ASP 569 Cb -0.14 0.41 0.16 0.00 -1.46 0.00 0.00 42.92 41.89 2w3r s ASP 569 CO 0.06 -0.28 0.57 0.00 0.52 0.00 0.00 175.17 176.04 2w3r n ALA 570 N 1.05 -1.41 -0.99 3.66 0.00 -0.68 0.78 120.51 122.93 2w3r n ALA 570 Ca -0.10 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2w3r n ALA 570 Cb 0.57 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2w3r n ALA 570 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w3r n GLY 571 N -1.48 0.31 3.12 0.00 0.00 0.10 -4.95 105.19 102.30 2w3r n GLY 571 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 2w3r n GLY 571 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3r s GLN 572 N -0.79 2.12 -0.12 1.61 -1.52 0.23 -1.00 119.66 120.19 2w3r s GLN 572 Ca 0.00 -0.62 -0.13 0.00 -1.95 0.00 0.00 55.36 52.66 2w3r s GLN 572 Cb 0.00 -1.72 -0.05 0.00 -0.22 0.00 0.00 33.01 31.02 2w3r s GLN 572 CO 0.00 0.16 0.29 0.08 -0.25 0.00 0.00 175.29 175.56 2w3r s VAL 573 N 0.33 5.28 -0.06 1.09 1.01 0.12 -1.47 120.40 126.70 2w3r s VAL 573 Ca -0.12 0.54 0.02 0.00 0.00 0.00 0.00 61.98 62.43 2w3r s VAL 573 Cb -0.15 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.64 2w3r s VAL 573 CO 0.05 0.48 -0.12 -1.10 0.00 0.00 0.00 175.10 174.40 2w3r s GLN 574 N -0.17 1.63 -0.05 2.72 -0.21 0.91 -0.14 119.66 124.35 2w3r s GLN 574 Ca 0.18 -0.41 -0.30 0.00 0.02 0.00 0.00 55.36 54.85 2w3r s GLN 574 Cb -0.14 -1.36 0.08 0.00 1.00 0.00 0.00 33.01 32.59 2w3r s GLN 574 CO 0.06 0.04 0.73 0.00 -2.12 0.00 0.00 175.29 174.00 2w3r s ALA 575 N 0.61 -1.78 0.00 6.09 0.00 -0.77 0.31 121.76 126.22 2w3r s ALA 575 Ca -0.13 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.10 2w3r s ALA 575 Cb -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 22.95 2w3r s ALA 575 CO 0.03 -0.41 0.00 0.43 0.00 0.00 0.00 175.76 175.81 2w3r n SER 576 N 0.71 -5.21 0.00 0.00 7.64 -1.26 -0.58 113.62 114.92 2w3r n SER 576 Ca -0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2w3r n SER 576 Cb 0.58 -3.23 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 2w3r n SER 576 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2w3r n GLY 577 N 0.48 1.28 3.97 0.23 0.00 -1.26 -5.06 105.19 104.83 2w3r n GLY 577 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2w3r n GLY 577 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2w3r s LYS 578 N -0.67 2.81 -0.02 1.61 1.02 0.26 -5.13 119.74 119.62 2w3r s LYS 578 Ca 0.00 -0.71 -0.07 0.00 0.02 0.00 0.00 55.97 55.21 2w3r s LYS 578 Cb 0.00 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.76 2w3r s LYS 578 CO 0.00 -0.46 0.15 -1.54 -0.92 0.00 0.00 175.35 172.58 2w3r s SER 579 N -4.32 -0.04 0.19 2.83 1.04 -1.26 -1.84 113.70 110.29 2w3r s SER 579 Ca 0.53 -0.03 0.03 0.00 0.48 0.00 0.00 55.95 56.96 2w3r s SER 579 Cb -0.10 0.25 -0.05 0.00 0.10 0.00 0.00 66.02 66.22 2w3r s SER 579 CO 0.37 -0.27 -0.04 0.26 0.98 0.00 0.00 173.24 174.54 2w3r s TRP 580 N -0.93 1.37 0.66 5.02 0.51 0.80 -4.97 118.94 121.40 2w3r s TRP 580 Ca -0.10 -0.88 -0.14 0.00 -2.12 0.00 0.00 56.10 52.86 2w3r s TRP 580 Cb -0.06 -0.76 -0.00 0.00 -0.81 0.00 0.00 33.47 31.84 2w3r s TRP 580 CO 0.01 -0.03 1.08 1.03 -0.51 0.00 0.00 176.95 178.53 2w3r s ARG 581 N -3.83 2.93 0.12 4.98 0.52 -1.26 0.11 118.95 122.51 2w3r s ARG 581 Ca 0.23 1.21 -0.22 0.00 -0.52 0.00 0.00 55.73 56.43 2w3r s ARG 581 Cb 0.05 -1.98 -0.07 0.00 0.52 0.00 0.00 34.95 33.47 2w3r s ARG 581 CO 0.04 -1.13 1.70 0.35 0.02 0.00 0.00 175.30 176.28 2w3r h PHE 582 N -0.13 -0.22 -0.57 -0.53 3.57 -1.41 -2.71 116.94 114.94 2w3r h PHE 582 Ca -0.46 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.05 2w3r h PHE 582 Cb 1.23 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 40.05 2w3r h PHE 582 CO 0.58 -0.14 0.34 0.00 -2.23 0.00 0.00 178.31 176.87 2w3r h ALA 583 N 0.93 1.53 -0.84 2.41 0.00 -1.88 -1.49 119.26 119.92 2w3r h ALA 583 Ca 0.06 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 54.99 2w3r h ALA 583 Cb 0.20 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.70 2w3r h ALA 583 CO -0.14 0.41 0.55 0.93 0.00 0.00 0.00 179.25 180.99 2w3r h GLU 584 N 0.78 0.83 -0.06 0.00 5.08 -1.85 0.27 114.58 119.63 2w3r h GLU 584 Ca 0.21 -0.05 -0.18 0.00 -1.00 0.00 0.00 59.36 58.34 2w3r h GLU 584 Cb -0.03 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 29.04 2w3r h GLU 584 CO -0.04 0.55 -0.66 0.82 -1.00 0.00 0.00 179.01 178.68 2w3r h ILE 585 N 0.85 1.36 -0.45 3.13 1.08 -1.13 -3.04 117.51 119.32 2w3r h ILE 585 Ca 0.38 -2.00 -0.01 0.00 -0.39 0.00 0.00 64.86 62.84 2w3r h ILE 585 Cb 0.35 2.34 -0.02 0.00 -3.07 0.00 0.00 36.82 36.43 2w3r h ILE 585 CO -0.15 0.60 0.24 0.58 -0.69 0.00 0.00 178.15 178.73 2w3r h VAL 586 N 0.13 1.17 -0.64 1.67 2.07 -0.71 0.32 116.25 120.26 2w3r h VAL 586 Ca -0.07 -0.44 -0.07 0.00 0.82 0.00 0.00 66.70 66.94 2w3r h VAL 586 Cb 1.32 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 31.71 2w3r h VAL 586 CO 0.13 0.18 0.11 0.00 0.02 0.00 0.00 177.57 178.01 2w3r h ALA 587 N 1.08 0.99 -0.29 1.67 0.00 -1.10 0.53 119.26 122.15 2w3r h ALA 587 Ca 0.16 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 2w3r h ALA 587 Cb 0.07 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2w3r h ALA 587 CO -0.02 0.64 -0.01 0.00 0.00 0.00 0.00 179.25 179.86 2w3r h ALA 588 N 1.14 0.39 0.00 0.00 0.00 -1.33 -0.55 119.26 118.91 2w3r h ALA 588 Ca 0.20 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 2w3r h ALA 588 Cb 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2w3r h ALA 588 CO 0.01 0.14 -0.24 0.00 0.00 0.00 0.00 179.25 179.16 2w3r h ALA 589 N 0.82 1.40 -0.06 0.00 0.00 -0.28 -0.39 119.26 120.75 2w3r h ALA 589 Ca 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2w3r h ALA 589 Cb 0.45 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2w3r h ALA 589 CO 0.02 0.30 0.01 -0.92 0.00 0.00 0.00 179.25 178.66 2w3r h TYR 590 N 0.00 0.11 -0.88 0.00 3.20 -0.53 -1.10 116.97 117.77 2w3r h TYR 590 Ca -0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.91 2w3r h TYR 590 Cb 0.49 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.67 2w3r h TYR 590 CO 0.00 0.32 0.55 0.52 -1.64 0.00 0.00 178.16 177.91 2w3r h MET 591 N -0.13 0.99 0.00 1.82 2.86 -0.67 -0.34 114.93 119.45 2w3r h MET 591 Ca 0.02 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 2w3r h MET 591 Cb 0.27 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.70 2w3r h MET 591 CO 0.00 0.65 0.00 0.00 1.06 0.00 0.00 176.91 178.63 2w3r n ALA 592 N -2.35 2.24 -3.30 6.32 0.00 -0.20 -4.91 120.51 118.32 2w3r n ALA 592 Ca 0.12 -0.12 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 2w3r n ALA 592 Cb 0.16 -1.33 0.05 0.00 0.00 0.00 0.00 19.45 18.34 2w3r n ALA 592 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2w3r n ARG 593 N -1.00 -1.90 -4.08 0.00 1.74 -0.14 -5.03 116.66 106.25 2w3r n ARG 593 Ca 0.15 0.91 -0.32 0.00 -0.77 0.00 0.00 57.85 57.82 2w3r n ARG 593 Cb 0.07 -5.47 -0.16 0.00 -1.02 0.00 0.00 32.46 25.88 2w3r n ARG 593 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2w3r s ILE 594 N -3.32 2.05 -0.12 0.55 1.01 -0.45 -5.04 121.20 115.88 2w3r s ILE 594 Ca 0.37 -1.25 -0.40 0.00 0.00 0.00 0.00 60.65 59.37 2w3r s ILE 594 Cb -0.07 -2.02 -0.18 0.00 0.01 0.00 0.00 42.46 40.21 2w3r s ILE 594 CO 0.76 0.25 1.42 -0.24 0.00 0.00 0.00 174.94 177.14 2w3r n SER 595 N 4.55 1.37 -1.91 3.58 2.88 -1.26 -4.61 113.62 118.22 2w3r n SER 595 Ca -0.17 1.13 -0.22 0.00 -1.33 0.00 0.00 58.87 58.28 2w3r n SER 595 Cb 0.46 -1.06 0.11 0.00 -0.75 0.00 0.00 64.21 62.97 2w3r n SER 595 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2w3r n LEU 596 N 3.24 5.86 -3.88 2.46 4.77 -1.26 -4.94 117.00 123.25 2w3r n LEU 596 Ca 0.23 -4.18 -0.18 0.00 -0.03 0.00 0.00 56.01 51.85 2w3r n LEU 596 Cb 0.11 -0.70 -0.16 0.00 -2.33 0.00 0.00 43.42 40.34 2w3r n LEU 596 CO 0.71 1.52 -0.40 -0.55 -1.33 0.00 0.00 177.39 177.35 2w3r s SER 597 N -2.42 0.73 -0.03 -1.43 0.15 -1.26 -0.35 113.70 109.09 2w3r s SER 597 Ca 0.55 -0.09 -0.06 0.00 0.70 0.00 0.00 55.95 57.04 2w3r s SER 597 Cb 0.45 -0.32 0.01 0.00 -1.71 0.00 0.00 66.02 64.45 2w3r s SER 597 CO 0.02 -0.04 0.14 0.00 1.20 0.00 0.00 173.24 174.56 2w3r s ALA 598 N 0.75 -0.34 0.19 5.45 0.00 -0.57 -5.01 121.76 122.23 2w3r s ALA 598 Ca -0.09 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.02 2w3r s ALA 598 Cb -0.12 -0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.87 2w3r s ALA 598 CO -0.00 -0.13 0.37 0.95 0.00 0.00 0.00 175.76 176.94 2w3r s THR 599 N -0.60 5.22 -0.02 0.00 -4.23 -1.26 -0.32 115.64 114.43 2w3r s THR 599 Ca -0.07 -0.38 0.02 0.00 -1.18 0.00 0.00 61.69 60.07 2w3r s THR 599 Cb -0.04 -3.73 0.01 0.00 1.34 0.00 0.00 72.50 70.08 2w3r s THR 599 CO 0.01 -0.14 -0.05 -0.83 -0.54 0.00 0.00 174.62 173.06 2w3r s GLY 600 N -3.12 0.35 0.03 3.99 0.00 -0.05 -4.13 107.32 104.39 2w3r s GLY 600 Ca 0.38 -0.16 0.04 0.00 0.00 0.00 0.00 44.72 44.98 2w3r s GLY 600 CO 0.29 0.05 -0.12 -0.12 0.00 0.00 0.00 173.10 173.20 2w3r s PHE 601 N 0.28 1.01 -0.04 1.90 5.36 -1.26 0.65 117.98 125.88 2w3r s PHE 601 Ca -0.03 -0.31 -0.02 0.00 -0.96 0.00 0.00 56.93 55.60 2w3r s PHE 601 Cb -0.07 -0.61 0.02 0.00 -0.34 0.00 0.00 43.02 42.02 2w3r s PHE 601 CO -0.00 0.00 0.09 -0.47 -1.46 0.00 0.00 175.22 173.38 2w3r s TYR 602 N -0.73 -0.08 -0.08 10.12 5.04 -0.61 -4.66 117.35 126.35 2w3r s TYR 602 Ca 0.00 0.27 0.02 0.00 -2.44 0.00 0.00 57.07 54.92 2w3r s TYR 602 Cb -0.07 -0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.20 2w3r s TYR 602 CO 0.01 -0.08 -0.14 0.00 -1.34 0.00 0.00 175.55 174.00 2w3r s ALA 603 N 0.54 1.44 -0.03 3.97 0.00 -1.26 -0.41 121.76 126.01 2w3r s ALA 603 Ca -0.04 -0.55 -0.30 0.00 0.00 0.00 0.00 51.96 51.07 2w3r s ALA 603 Cb -0.06 -0.68 -0.06 0.00 0.00 0.00 0.00 23.12 22.33 2w3r s ALA 603 CO -0.02 0.04 1.54 0.99 0.00 0.00 0.00 175.76 178.32 2w3r s THR 604 N 0.80 3.60 0.89 0.00 2.01 -0.05 -5.00 115.64 117.89 2w3r s THR 604 Ca -0.12 0.86 -0.14 0.00 0.31 0.00 0.00 61.69 62.61 2w3r s THR 604 Cb -0.16 -3.55 0.14 0.00 0.01 0.00 0.00 72.50 68.94 2w3r s THR 604 CO 0.02 -0.04 1.25 -2.16 -0.69 0.00 0.00 174.62 172.99 2w3r s PRO 605 N 3.30 1.27 0.00 4.92 0.04 -1.26 -4.39 135.00 138.88 2w3r s PRO 605 Ca 0.69 -0.13 0.00 0.00 0.04 0.00 0.00 61.00 61.60 2w3r s PRO 605 Cb -0.33 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2w3r s PRO 605 CO 0.28 -2.03 0.00 1.63 0.04 0.00 0.00 177.00 176.91 2w3r n LYS 606 N -3.56 -0.84 -3.75 4.56 5.02 -1.26 -4.91 118.16 113.42 2w3r n LYS 606 Ca 0.11 0.21 -0.36 0.00 -2.02 0.00 0.00 58.31 56.26 2w3r n LYS 606 Cb 0.60 -3.96 -0.09 0.00 -0.02 0.00 0.00 35.03 31.57 2w3r n LYS 606 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2w3r s LEU 607 N 0.00 4.08 -0.29 -0.35 1.43 -1.26 -4.88 118.68 117.41 2w3r s LEU 607 Ca 0.00 0.14 -0.16 0.00 -1.03 0.00 0.00 54.13 53.08 2w3r s LEU 607 Cb 0.00 -2.07 0.15 0.00 0.03 0.00 0.00 46.19 44.30 2w3r s LEU 607 CO 0.00 0.12 0.98 -0.55 0.23 0.00 0.00 176.35 177.14 2w3r s SER 608 N 0.69 -0.50 -0.14 2.29 0.15 -0.39 -5.04 113.70 110.76 2w3r s SER 608 Ca 0.07 0.79 -0.30 0.00 0.70 0.00 0.00 55.95 57.22 2w3r s SER 608 Cb -0.12 1.25 0.10 0.00 -1.71 0.00 0.00 66.02 65.54 2w3r s SER 608 CO 0.01 -0.12 0.88 -1.66 1.20 0.00 0.00 173.24 173.55 2w3r s TRP 609 N 1.45 -0.50 -0.31 3.44 1.48 -1.26 0.83 118.94 124.08 2w3r s TRP 609 Ca -0.08 0.90 -0.18 0.00 -1.06 0.00 0.00 56.10 55.68 2w3r s TRP 609 Cb -0.04 0.42 -0.02 0.00 -1.16 0.00 0.00 33.47 32.68 2w3r s TRP 609 CO -0.15 -0.43 0.50 0.34 -4.06 0.00 0.00 176.95 173.15 2w3r s ASP 610 N -0.96 6.35 0.18 -2.66 2.15 0.17 -4.97 116.67 116.94 2w3r s ASP 610 Ca -0.04 0.22 -0.09 0.00 0.43 0.00 0.00 52.55 53.07 2w3r s ASP 610 Cb -0.01 -2.27 0.08 0.00 -0.30 0.00 0.00 42.92 40.42 2w3r s ASP 610 CO 0.04 -0.37 1.64 -0.09 -0.17 0.00 0.00 175.17 176.21 2w3r h ARG 611 N 8.26 1.05 0.09 4.34 2.43 -1.97 -1.71 114.38 126.88 2w3r h ARG 611 Ca -0.29 -0.35 -0.00 0.00 -0.81 0.00 0.00 59.98 58.53 2w3r h ARG 611 Cb 1.13 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.60 2w3r h ARG 611 CO 0.74 1.05 -0.04 -0.07 -1.51 0.00 0.00 179.97 180.13 2w3r h LEU 612 N 0.95 -0.10 -2.26 3.80 3.38 -1.95 -3.18 115.31 115.95 2w3r h LEU 612 Ca 0.16 -0.47 0.00 0.00 0.09 0.00 0.00 57.88 57.66 2w3r h LEU 612 Cb 0.60 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2w3r h LEU 612 CO 0.04 0.55 0.00 0.03 0.09 0.00 0.00 178.44 179.14 2w3r h ARG 613 N -0.89 0.00 -4.96 1.13 3.08 -1.95 -3.46 114.38 107.33 2w3r h ARG 613 Ca -0.01 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.78 2w3r h ARG 613 Cb 0.57 0.00 0.14 0.00 0.08 0.00 0.00 29.97 30.76 2w3r h ARG 613 CO 0.02 0.00 -0.63 0.41 -1.07 0.00 0.00 179.97 178.70 2w3r n GLY 614 N -0.57 -0.26 2.96 0.04 0.00 -0.70 -4.81 105.19 101.85 2w3r n GLY 614 Ca -0.01 0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 2w3r n GLY 614 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2w3r s GLN 615 N -5.01 0.26 0.00 1.61 -1.52 -0.87 -4.35 119.66 109.78 2w3r s GLN 615 Ca 0.04 -0.50 0.00 0.00 -1.95 0.00 0.00 55.36 52.95 2w3r s GLN 615 Cb -0.00 0.07 0.00 0.00 -0.22 0.00 0.00 33.01 32.86 2w3r s GLN 615 CO 0.59 -0.04 0.00 0.41 -0.25 0.00 0.00 175.29 176.01 2w3r n GLY 616 N 1.88 0.62 2.90 3.09 0.00 -0.80 0.44 105.19 113.32 2w3r n GLY 616 Ca -0.22 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.29 2w3r n GLY 616 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2w3r s ARG 617 N -0.36 1.94 0.21 1.61 3.52 0.24 -3.75 118.95 122.37 2w3r s ARG 617 Ca 0.00 -2.65 0.10 0.00 -0.13 0.00 0.00 55.73 53.06 2w3r s ARG 617 Cb 0.00 -3.17 0.04 0.00 -1.56 0.00 0.00 34.95 30.26 2w3r s ARG 617 CO 0.00 -1.15 1.42 -1.00 -0.81 0.00 0.00 175.30 173.76 2w3r h PRO 618 N 6.34 0.00 -6.12 5.12 0.13 -1.92 -1.03 132.00 134.52 2w3r h PRO 618 Ca -0.03 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.53 2w3r h PRO 618 Cb 0.87 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.95 2w3r h PRO 618 CO 0.66 0.77 -0.52 -0.06 -0.23 0.00 0.00 178.00 178.61 2w3r s PHE 619 N -3.02 3.31 -0.02 1.56 2.99 -1.26 -4.72 117.98 116.82 2w3r s PHE 619 Ca 0.01 0.06 -0.13 0.00 0.00 0.00 0.00 56.93 56.88 2w3r s PHE 619 Cb 0.10 -1.60 -0.33 0.00 0.00 0.00 0.00 43.02 41.20 2w3r s PHE 619 CO 0.78 0.52 0.79 1.25 -0.00 0.00 0.00 175.22 178.57 2w3r h LEU 620 N 2.40 0.70 -7.66 -0.37 5.85 -1.58 -3.47 115.31 111.18 2w3r h LEU 620 Ca -0.48 -0.92 0.04 0.00 0.84 0.00 0.00 57.88 57.36 2w3r h LEU 620 Cb 1.19 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.92 2w3r h LEU 620 CO 0.66 1.76 0.23 -0.72 -0.34 0.00 0.00 178.44 180.02 2w3r s TYR 621 N -2.59 -0.31 -0.09 1.25 -0.85 -1.26 -4.94 117.35 108.56 2w3r s TYR 621 Ca -0.13 -0.07 0.00 0.00 -0.52 0.00 0.00 57.07 56.35 2w3r s TYR 621 Cb 0.05 0.66 -0.03 0.00 0.38 0.00 0.00 41.96 43.02 2w3r s TYR 621 CO 0.89 -1.10 -0.07 -0.06 -1.52 0.00 0.00 175.55 173.68 2w3r s PHE 622 N -3.86 2.92 0.16 -3.49 0.40 -1.26 -0.84 117.98 112.02 2w3r s PHE 622 Ca 0.08 -0.13 -0.06 0.00 -0.60 0.00 0.00 56.93 56.22 2w3r s PHE 622 Cb -0.04 -1.77 -0.06 0.00 0.51 0.00 0.00 43.02 41.66 2w3r s PHE 622 CO 0.00 0.19 0.41 0.00 0.70 0.00 0.00 175.22 176.52 2w3r s ALA 623 N -0.44 3.74 0.38 5.36 0.00 -0.54 -4.94 121.76 125.33 2w3r s ALA 623 Ca 0.06 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.55 2w3r s ALA 623 Cb -0.12 -2.19 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 2w3r s ALA 623 CO 0.02 0.63 0.07 0.71 0.00 0.00 0.00 175.76 177.19 2w3r s TYR 624 N -1.70 1.93 0.00 0.00 1.51 -1.26 -1.83 117.35 116.00 2w3r s TYR 624 Ca 0.42 -1.06 0.00 0.00 -1.01 0.00 0.00 57.07 55.43 2w3r s TYR 624 Cb -0.12 -1.32 0.00 0.00 -0.11 0.00 0.00 41.96 40.42 2w3r s TYR 624 CO 0.24 -0.04 0.00 0.41 -1.11 0.00 0.00 175.55 175.05 2w3r n GLY 625 N -0.86 0.45 3.54 0.71 0.00 -1.21 -1.72 105.19 106.11 2w3r n GLY 625 Ca -0.06 -0.89 -0.15 0.00 0.00 0.00 0.00 46.02 44.93 2w3r n GLY 625 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3r s ALA 626 N -2.00 -1.65 -0.03 4.61 0.00 -1.10 -0.66 121.76 120.93 2w3r s ALA 626 Ca 0.00 1.65 0.01 0.00 0.00 0.00 0.00 51.96 53.63 2w3r s ALA 626 Cb 0.00 -0.73 0.01 0.00 0.00 0.00 0.00 23.12 22.40 2w3r s ALA 626 CO 0.00 -0.33 -0.05 0.00 0.00 0.00 0.00 175.76 175.38 2w3r s ALA 627 N -0.16 0.60 -0.17 0.00 0.00 -0.99 -1.94 121.76 119.10 2w3r s ALA 627 Ca -0.04 -0.13 -0.03 0.00 0.00 0.00 0.00 51.96 51.77 2w3r s ALA 627 Cb -0.03 -0.30 -0.02 0.00 0.00 0.00 0.00 23.12 22.77 2w3r s ALA 627 CO 0.04 0.05 -0.05 0.42 0.00 0.00 0.00 175.76 176.21 2w3r s ILE 628 N 0.48 3.63 -0.02 0.00 1.01 -0.55 -2.18 121.20 123.57 2w3r s ILE 628 Ca -0.06 -0.44 0.06 0.00 0.00 0.00 0.00 60.65 60.21 2w3r s ILE 628 Cb -0.10 -2.60 -0.01 0.00 0.01 0.00 0.00 42.46 39.76 2w3r s ILE 628 CO -0.00 0.48 -0.19 -0.89 0.00 0.00 0.00 174.94 174.33 2w3r s THR 629 N 0.66 1.54 -0.07 2.92 2.01 -0.81 -1.34 115.64 120.54 2w3r s THR 629 Ca -0.03 -0.82 0.05 0.00 0.31 0.00 0.00 61.69 61.20 2w3r s THR 629 Cb -0.15 -1.29 -0.01 0.00 0.01 0.00 0.00 72.50 71.07 2w3r s THR 629 CO 0.02 0.44 -0.22 -0.70 -0.69 0.00 0.00 174.62 173.46 2w3r s GLU 630 N -0.36 2.70 0.12 4.92 2.12 -0.28 -2.32 118.70 125.61 2w3r s GLU 630 Ca 0.05 -0.86 -0.00 0.00 0.36 0.00 0.00 54.97 54.52 2w3r s GLU 630 Cb -0.08 -2.25 -0.04 0.00 0.26 0.00 0.00 34.13 32.01 2w3r s GLU 630 CO -0.00 0.36 0.02 0.14 -0.54 0.00 0.00 175.26 175.24 2w3r s VAL 631 N -0.10 0.31 -0.04 3.70 -7.23 -0.20 0.40 120.40 117.24 2w3r s VAL 631 Ca -0.05 -1.91 0.05 0.00 -1.81 0.00 0.00 61.98 58.26 2w3r s VAL 631 Cb -0.14 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.87 2w3r s VAL 631 CO 0.04 -0.61 -0.18 0.68 -0.31 0.00 0.00 175.10 174.72 2w3r s VAL 632 N -3.90 1.48 -0.03 1.32 -7.23 0.17 -1.57 120.40 110.64 2w3r s VAL 632 Ca 0.20 -0.75 0.05 0.00 -1.81 0.00 0.00 61.98 59.66 2w3r s VAL 632 Cb 0.07 -1.26 -0.01 0.00 0.56 0.00 0.00 36.38 35.74 2w3r s VAL 632 CO -0.01 0.42 -0.18 0.27 -0.31 0.00 0.00 175.10 175.30 2w3r s ILE 633 N -0.04 1.47 -0.10 -0.62 -4.36 0.75 -1.09 121.20 117.20 2w3r s ILE 633 Ca -0.02 -0.76 -0.29 0.00 -0.26 0.00 0.00 60.65 59.32 2w3r s ILE 633 Cb -0.11 -1.24 -0.01 0.00 1.25 0.00 0.00 42.46 42.34 2w3r s ILE 633 CO 0.02 0.42 0.97 -0.62 0.24 0.00 0.00 174.94 175.97 2w3r s ASP 634 N -0.19 7.22 0.43 4.36 2.15 0.16 -0.97 116.67 129.83 2w3r s ASP 634 Ca 0.01 1.50 0.24 0.00 0.43 0.00 0.00 52.55 54.73 2w3r s ASP 634 Cb -0.10 -2.54 0.79 0.00 -0.30 0.00 0.00 42.92 40.77 2w3r s ASP 634 CO 0.01 -0.41 1.77 0.03 -0.17 0.00 0.00 175.17 176.39 2w3r h ARG 635 N 7.08 0.00 0.05 4.34 3.08 -1.13 -1.01 114.38 126.78 2w3r h ARG 635 Ca -0.32 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.41 2w3r h ARG 635 Cb 1.15 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 2w3r h ARG 635 CO 0.84 0.21 -1.78 -0.07 -1.07 0.00 0.00 179.97 178.10 2w3r h LEU 636 N 0.00 0.16 0.00 3.04 3.38 -1.93 -3.42 115.31 116.54 2w3r h LEU 636 Ca -0.00 -0.34 -0.10 0.00 0.09 0.00 0.00 57.88 57.53 2w3r h LEU 636 Cb 0.84 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2w3r h LEU 636 CO 0.03 1.30 -1.36 0.35 0.09 0.00 0.00 178.44 178.85 2w3r n THR 637 N -3.22 0.36 0.00 0.22 -2.24 -1.25 -5.03 114.28 103.13 2w3r n THR 637 Ca -0.21 -0.18 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 2w3r n THR 637 Cb 1.05 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2w3r n THR 637 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2w3r n GLY 638 N 2.91 0.56 3.66 3.38 0.00 -0.38 -4.40 105.19 110.91 2w3r n GLY 638 Ca -0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 2w3r n GLY 638 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2w3r n GLU 639 N -1.41 1.51 -3.74 1.61 1.02 -1.26 -4.48 120.64 113.89 2w3r n GLU 639 Ca 0.00 0.55 -0.11 0.00 -0.02 0.00 0.00 57.16 57.57 2w3r n GLU 639 Cb 0.00 -2.25 -0.07 0.00 -0.02 0.00 0.00 31.44 29.10 2w3r n GLU 639 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2w3r s ASN 640 N -0.79 -0.14 -0.07 1.62 2.20 -1.26 0.39 114.94 116.89 2w3r s ASN 640 Ca 0.66 -0.20 -0.10 0.00 -0.94 0.00 0.00 52.86 52.28 2w3r s ASN 640 Cb -0.49 0.37 0.02 0.00 -2.00 0.00 0.00 41.25 39.15 2w3r s ASN 640 CO 0.54 -0.64 0.25 -0.60 -2.94 0.00 0.00 177.10 173.71 2w3r s ARG 641 N -2.68 0.39 -0.16 3.55 3.52 -0.25 -4.97 118.95 118.34 2w3r s ARG 641 Ca -0.04 0.16 -0.24 0.00 -0.13 0.00 0.00 55.73 55.48 2w3r s ARG 641 Cb -0.00 0.18 -0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2w3r s ARG 641 CO -0.04 -0.07 0.76 0.42 -0.81 0.00 0.00 175.30 175.56 2w3r s ILE 642 N -0.32 4.94 -0.19 4.11 1.01 -1.26 -0.66 121.20 128.83 2w3r s ILE 642 Ca -0.04 1.50 -0.10 0.00 0.00 0.00 0.00 60.65 62.01 2w3r s ILE 642 Cb -0.03 -4.08 -0.21 0.00 0.01 0.00 0.00 42.46 38.16 2w3r s ILE 642 CO 0.01 0.08 0.10 0.18 0.00 0.00 0.00 174.94 175.31 2w3r n LEU 643 N 4.96 2.43 -3.69 2.97 4.77 0.16 -3.44 117.00 125.16 2w3r n LEU 643 Ca 0.02 0.21 -0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2w3r n LEU 643 Cb 0.49 -1.00 -0.09 0.00 -2.33 0.00 0.00 43.42 40.50 2w3r n LEU 643 CO 0.47 0.69 0.24 -0.60 -1.33 0.00 0.00 177.39 176.86 2w3r s ARG 644 N -2.50 0.64 -0.02 3.23 3.52 -1.13 -1.59 118.95 121.10 2w3r s ARG 644 Ca -0.29 0.78 0.04 0.00 -0.13 0.00 0.00 55.73 56.13 2w3r s ARG 644 Cb 0.08 0.30 -0.01 0.00 -1.56 0.00 0.00 34.95 33.76 2w3r s ARG 644 CO 0.65 -0.08 -0.14 0.99 -0.81 0.00 0.00 175.30 175.91 2w3r s THR 645 N 0.36 1.15 -0.12 4.11 2.01 0.74 -1.12 115.64 122.77 2w3r s THR 645 Ca -0.01 -0.60 0.01 0.00 0.31 0.00 0.00 61.69 61.41 2w3r s THR 645 Cb -0.04 -0.98 0.02 0.00 0.01 0.00 0.00 72.50 71.51 2w3r s THR 645 CO -0.00 0.33 -0.15 -1.81 -0.69 0.00 0.00 174.62 172.30 2w3r s ASP 646 N -0.17 2.57 -0.06 3.53 1.01 -0.45 -0.84 116.67 122.25 2w3r s ASP 646 Ca 0.02 -0.46 0.05 0.00 0.71 0.00 0.00 52.55 52.88 2w3r s ASP 646 Cb -0.07 -1.14 -0.01 0.00 1.01 0.00 0.00 42.92 42.70 2w3r s ASP 646 CO 0.00 -0.00 -0.22 -0.63 0.21 0.00 0.00 175.17 174.52 2w3r s ILE 647 N 1.14 2.29 -0.35 0.77 1.01 0.12 -1.48 121.20 124.69 2w3r s ILE 647 Ca -0.03 -0.98 0.02 0.00 0.00 0.00 0.00 60.65 59.66 2w3r s ILE 647 Cb -0.14 -1.85 0.11 0.00 0.01 0.00 0.00 42.46 40.58 2w3r s ILE 647 CO -0.05 0.57 0.11 -0.22 0.00 0.00 0.00 174.94 175.35 2w3r s LEU 648 N -0.24 3.40 0.03 2.97 2.96 -0.82 -1.19 118.68 125.79 2w3r s LEU 648 Ca -0.01 -2.07 0.02 0.00 -0.22 0.00 0.00 54.13 51.85 2w3r s LEU 648 Cb -0.13 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.29 2w3r s LEU 648 CO 0.03 -0.37 0.02 -2.28 -1.32 0.00 0.00 176.35 172.43 2w3r s HIS 649 N 1.04 3.09 -0.52 5.38 5.65 -0.81 -2.73 115.29 126.40 2w3r s HIS 649 Ca 0.12 0.07 -0.17 0.00 0.25 0.00 0.00 55.06 55.33 2w3r s HIS 649 Cb -0.20 -1.64 0.09 0.00 -1.18 0.00 0.00 32.58 29.65 2w3r s HIS 649 CO -0.13 0.48 0.52 0.34 -0.65 0.00 0.00 174.74 175.30 2w3r s ASP 650 N -1.81 6.18 -0.12 9.88 2.15 -0.70 0.13 116.67 132.38 2w3r s ASP 650 Ca 0.22 -1.37 0.18 0.00 0.43 0.00 0.00 52.55 52.01 2w3r s ASP 650 Cb -0.12 -2.23 0.74 0.00 -0.30 0.00 0.00 42.92 41.01 2w3r s ASP 650 CO 0.13 -0.83 1.65 0.00 -0.17 0.00 0.00 175.17 175.95 2w3r n ALA 651 N 5.61 3.17 -0.64 3.66 0.00 -1.25 -4.24 120.51 126.81 2w3r n ALA 651 Ca -0.11 -1.61 0.00 0.00 0.00 0.00 0.00 53.44 51.72 2w3r n ALA 651 Cb 0.43 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.84 2w3r n ALA 651 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w3r n GLY 652 N 1.12 0.72 3.56 0.00 0.00 -1.26 -0.10 105.19 109.23 2w3r n GLY 652 Ca 0.26 -0.76 -0.36 0.00 0.00 0.00 0.00 46.02 45.16 2w3r n GLY 652 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w3r s ALA 653 N -1.69 2.30 0.16 4.61 0.00 -0.14 -3.76 121.76 123.25 2w3r s ALA 653 Ca 0.00 -1.68 -0.34 0.00 0.00 0.00 0.00 51.96 49.94 2w3r s ALA 653 Cb 0.00 -4.47 -0.16 0.00 0.00 0.00 0.00 23.12 18.49 2w3r s ALA 653 CO 0.00 -4.01 1.26 0.45 0.00 0.00 0.00 175.76 173.47 2w3r n SER 654 N 11.13 1.70 -0.00 0.00 2.88 -1.25 -3.50 113.62 124.57 2w3r n SER 654 Ca 0.30 1.13 -0.18 0.00 -1.33 0.00 0.00 58.87 58.79 2w3r n SER 654 Cb 0.49 -1.25 -0.09 0.00 -0.75 0.00 0.00 64.21 62.62 2w3r n SER 654 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2w3r h LEU 655 N 3.92 0.86 -6.54 2.46 3.38 -1.91 -3.34 115.31 114.14 2w3r h LEU 655 Ca -0.45 -0.68 -0.48 0.00 0.09 0.00 0.00 57.88 56.36 2w3r h LEU 655 Cb 1.33 -0.26 -0.36 0.00 0.09 0.00 0.00 40.66 41.46 2w3r h LEU 655 CO 0.74 1.40 -0.77 0.21 0.09 0.00 0.00 178.44 180.11 2w3r s ASN 656 N -7.07 2.38 0.33 -0.43 3.84 -1.26 -0.67 114.94 112.06 2w3r s ASN 656 Ca -0.11 -1.73 0.10 0.00 0.21 0.00 0.00 52.86 51.33 2w3r s ASN 656 Cb 0.07 -0.01 0.87 0.00 -0.55 0.00 0.00 41.25 41.63 2w3r s ASN 656 CO 0.89 -0.32 1.75 -0.65 -2.79 0.00 0.00 177.10 175.98 2w3r h PRO 657 N 7.36 0.60 0.83 0.43 0.11 -1.79 0.13 132.00 139.68 2w3r h PRO 657 Ca -0.00 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 66.03 2w3r h PRO 657 Cb 1.01 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.99 2w3r h PRO 657 CO 0.28 0.40 -0.40 0.00 -0.21 0.00 0.00 178.00 178.06 2w3r h ALA 658 N 1.69 -1.12 -0.41 -0.75 0.00 -1.86 -1.48 119.26 115.32 2w3r h ALA 658 Ca 0.62 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 55.31 2w3r h ALA 658 Cb 1.15 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 19.35 2w3r h ALA 658 CO -0.42 -1.08 0.28 -0.07 0.00 0.00 0.00 179.25 177.96 2w3r h LEU 659 N -1.22 0.38 -0.36 0.00 3.38 -1.66 -1.19 115.31 114.65 2w3r h LEU 659 Ca -0.11 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2w3r h LEU 659 Cb 0.87 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 2w3r h LEU 659 CO 0.19 0.27 0.10 0.44 0.09 0.00 0.00 178.44 179.53 2w3r h ASP 660 N 0.45 0.53 -0.45 -0.43 5.19 -0.90 -1.03 116.42 119.78 2w3r h ASP 660 Ca 0.17 -0.21 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2w3r h ASP 660 Cb 0.12 -0.14 -0.02 0.00 0.18 0.00 0.00 39.33 39.47 2w3r h ASP 660 CO -0.04 0.60 0.25 0.40 -3.12 0.00 0.00 179.24 177.34 2w3r h ILE 661 N 0.42 1.15 -0.46 0.35 1.08 -0.50 -1.95 117.51 117.61 2w3r h ILE 661 Ca 0.11 -0.37 0.06 0.00 -0.39 0.00 0.00 64.86 64.27 2w3r h ILE 661 Cb 0.27 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.58 2w3r h ILE 661 CO -0.00 0.16 0.31 1.23 -0.69 0.00 0.00 178.15 179.16 2w3r h GLY 662 N 0.59 0.47 0.60 5.37 0.00 -1.08 0.96 103.07 109.98 2w3r h GLY 662 Ca 0.16 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 2w3r h GLY 662 CO -0.03 0.12 -0.01 1.46 0.00 0.00 0.00 176.54 178.08 2w3r h GLN 663 N 0.38 0.04 -0.41 4.80 1.08 -0.70 -2.52 115.11 117.78 2w3r h GLN 663 Ca 0.20 -0.02 -0.07 0.00 -1.45 0.00 0.00 58.65 57.31 2w3r h GLN 663 Cb 0.31 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.72 2w3r h GLN 663 CO -0.05 0.46 -0.02 0.82 -0.95 0.00 0.00 178.83 179.09 2w3r h ILE 664 N -0.37 1.23 -0.21 2.54 2.04 -0.61 0.33 117.51 122.46 2w3r h ILE 664 Ca 0.00 -0.95 -0.00 0.00 1.00 0.00 0.00 64.86 64.91 2w3r h ILE 664 Cb 0.45 0.94 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2w3r h ILE 664 CO 0.00 0.33 0.11 -0.33 0.00 0.00 0.00 178.15 178.27 2w3r h GLU 665 N 0.62 0.29 -0.17 2.37 5.08 -0.89 -2.03 114.58 119.85 2w3r h GLU 665 Ca 0.12 -0.03 -0.22 0.00 -1.00 0.00 0.00 59.36 58.23 2w3r h GLU 665 Cb 0.42 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.63 2w3r h GLU 665 CO 0.02 0.27 -0.76 0.78 -1.00 0.00 0.00 179.01 178.32 2w3r h GLY 666 N 0.23 0.90 1.00 -3.84 0.00 -1.06 -3.12 103.07 97.19 2w3r h GLY 666 Ca 0.07 -1.24 -0.10 0.00 0.00 0.00 0.00 47.33 46.06 2w3r h GLY 666 CO -0.01 1.11 -0.12 0.00 0.00 0.00 0.00 176.54 177.52 2w3r h ALA 667 N 0.56 0.58 -0.07 3.60 0.00 -0.39 -2.13 119.26 121.41 2w3r h ALA 667 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.55 2w3r h ALA 667 Cb 1.38 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2w3r h ALA 667 CO 0.16 0.47 -0.04 -0.92 0.00 0.00 0.00 179.25 178.92 2w3r h TYR 668 N 0.64 -0.10 -0.37 0.00 3.20 -1.42 0.17 116.97 119.10 2w3r h TYR 668 Ca 0.10 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.06 2w3r h TYR 668 Cb 0.65 0.06 -0.08 0.00 1.54 0.00 0.00 36.73 38.90 2w3r h TYR 668 CO 0.05 -0.07 -0.19 0.28 -1.64 0.00 0.00 178.16 176.59 2w3r h VAL 669 N -0.04 0.44 -0.68 1.81 2.07 -1.53 -0.02 116.25 118.30 2w3r h VAL 669 Ca 0.05 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.51 2w3r h VAL 669 Cb 0.11 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 30.29 2w3r h VAL 669 CO -0.10 0.00 0.19 -0.61 0.02 0.00 0.00 177.57 177.07 2w3r h GLN 670 N -0.13 1.05 -0.51 1.57 4.15 -0.81 0.43 115.11 120.86 2w3r h GLN 670 Ca 0.18 -0.23 -0.03 0.00 0.77 0.00 0.00 58.65 59.35 2w3r h GLN 670 Cb 0.41 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.93 2w3r h GLN 670 CO -0.45 0.91 0.20 0.78 -1.93 0.00 0.00 178.83 178.34 2w3r h GLY 671 N 1.07 0.82 0.63 2.39 0.00 -0.38 -2.58 103.07 105.02 2w3r h GLY 671 Ca 0.22 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 2w3r h GLY 671 CO -0.00 0.42 -0.08 0.00 0.00 0.00 0.00 176.54 176.87 2w3r h ALA 672 N 1.05 0.12 -0.99 3.60 0.00 -0.43 -3.18 119.26 119.42 2w3r h ALA 672 Ca 0.17 -0.29 0.20 0.00 0.00 0.00 0.00 54.91 54.99 2w3r h ALA 672 Cb 0.20 -0.02 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 2w3r h ALA 672 CO -0.01 -0.06 0.62 0.78 0.00 0.00 0.00 179.25 180.58 2w3r h GLY 673 N -0.24 1.55 0.55 0.00 0.00 -0.16 0.77 103.07 105.55 2w3r h GLY 673 Ca 0.01 -0.31 0.06 0.00 0.00 0.00 0.00 47.33 47.09 2w3r h GLY 673 CO 0.02 -0.06 0.10 -0.25 0.00 0.00 0.00 176.54 176.34 2w3r h TRP 674 N 0.65 0.16 -0.42 5.60 7.01 -1.46 -2.19 115.95 125.30 2w3r h TRP 674 Ca 0.56 0.02 0.00 0.00 2.11 0.00 0.00 58.89 61.58 2w3r h TRP 674 Cb 1.03 -0.01 0.00 0.00 -2.10 0.00 0.00 29.16 28.07 2w3r h TRP 674 CO -0.00 0.04 0.00 1.28 -2.79 0.00 0.00 178.44 176.96 2w3r n LEU 675 N -5.07 3.33 0.00 0.65 4.77 0.21 -4.48 117.00 116.41 2w3r n LEU 675 Ca 0.02 -1.68 0.00 0.00 -0.03 0.00 0.00 56.01 54.32 2w3r n LEU 675 Cb 0.17 -0.48 0.00 0.00 -2.33 0.00 0.00 43.42 40.78 2w3r n LEU 675 CO 0.24 0.56 0.00 0.35 -1.33 0.00 0.00 177.39 177.21 2w3r n THR 676 N 0.63 0.00 0.16 -5.08 -2.24 -0.85 -1.19 114.28 105.72 2w3r n THR 676 Ca 0.17 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.00 2w3r n THR 676 Cb 0.64 0.00 0.09 0.00 -2.10 0.00 0.00 70.33 68.96 2w3r n THR 676 CO 0.00 0.00 0.00 0.71 -0.57 0.00 0.00 175.07 175.21 2w3r h THR 677 N 0.00 0.63 -3.27 4.28 1.35 -1.80 -2.94 112.91 111.16 2w3r h THR 677 Ca 0.00 -1.85 -0.56 0.00 -0.55 0.00 0.00 66.41 63.45 2w3r h THR 677 Cb 0.00 2.28 -0.05 0.00 -1.73 0.00 0.00 68.15 68.65 2w3r h THR 677 CO 0.00 0.35 0.50 -1.61 -0.25 0.00 0.00 175.52 174.52 2w3r s GLU 678 N -3.07 4.40 -0.17 4.72 2.02 -0.84 -4.41 118.70 121.35 2w3r s GLU 678 Ca 0.04 1.28 -0.08 0.00 0.02 0.00 0.00 54.97 56.24 2w3r s GLU 678 Cb 0.07 -3.54 0.06 0.00 0.10 0.00 0.00 34.13 30.82 2w3r s GLU 678 CO 0.72 -0.30 0.39 -2.00 0.02 0.00 0.00 175.26 174.09 2w3r s GLU 679 N 1.98 0.35 -0.08 1.61 2.12 -1.26 -4.73 118.70 118.69 2w3r s GLU 679 Ca 0.46 0.81 -0.18 0.00 0.36 0.00 0.00 54.97 56.43 2w3r s GLU 679 Cb -0.18 0.04 -0.05 0.00 0.26 0.00 0.00 34.13 34.20 2w3r s GLU 679 CO 0.17 -0.18 0.47 -0.51 -0.54 0.00 0.00 175.26 174.66 2w3r s LEU 680 N 1.68 4.34 -0.10 2.70 1.43 -1.26 -4.85 118.68 122.61 2w3r s LEU 680 Ca -0.07 0.88 -0.02 0.00 -1.03 0.00 0.00 54.13 53.89 2w3r s LEU 680 Cb -0.09 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.47 2w3r s LEU 680 CO -0.12 0.09 0.01 -0.69 0.23 0.00 0.00 176.35 175.87 2w3r s VAL 681 N 0.11 0.39 0.07 -1.59 1.01 -1.26 -4.90 120.40 114.23 2w3r s VAL 681 Ca 0.26 -0.03 0.02 0.00 0.00 0.00 0.00 61.98 62.22 2w3r s VAL 681 Cb -0.16 -0.64 -0.04 0.00 0.00 0.00 0.00 36.38 35.54 2w3r s VAL 681 CO 0.12 0.14 0.13 0.26 0.00 0.00 0.00 175.10 175.75 2w3r s TRP 682 N 1.96 3.32 0.00 5.22 0.51 -1.26 0.06 118.94 128.75 2w3r s TRP 682 Ca 0.04 0.15 0.00 0.00 -2.12 0.00 0.00 56.10 54.16 2w3r s TRP 682 Cb -0.13 -1.67 0.00 0.00 -0.81 0.00 0.00 33.47 30.85 2w3r s TRP 682 CO -0.06 0.55 0.00 -0.40 -0.51 0.00 0.00 176.95 176.53 2w3r n ASP 683 N 0.37 0.00 -0.20 2.95 5.68 -0.41 -4.91 116.55 120.04 2w3r n ASP 683 Ca -0.07 0.00 0.15 0.00 -0.50 0.00 0.00 54.79 54.37 2w3r n ASP 683 Cb 0.51 0.00 0.75 0.00 -1.14 0.00 0.00 41.12 41.24 2w3r n ASP 683 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2w3r n HIS 684 N -0.04 0.01 -0.19 2.11 1.44 -1.26 -3.74 115.22 113.54 2w3r n HIS 684 Ca 0.00 -0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 2w3r n HIS 684 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 2w3r n HIS 684 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2w3r n GLY 686 N -0.23 0.77 3.65 0.00 0.00 -1.25 -4.34 105.19 103.79 2w3r n GLY 686 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 2w3r n GLY 686 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3r s ARG 687 N -0.34 4.10 0.02 1.61 0.52 -1.26 -4.50 118.95 119.10 2w3r s ARG 687 Ca 0.00 1.50 -0.30 0.00 -0.52 0.00 0.00 55.73 56.41 2w3r s ARG 687 Cb 0.00 -3.81 -0.07 0.00 0.52 0.00 0.00 34.95 31.59 2w3r s ARG 687 CO 0.00 -0.88 1.54 -1.17 0.02 0.00 0.00 175.30 174.81 2w3r s LEU 688 N 3.87 4.34 -0.12 2.53 2.96 -1.26 -1.29 118.68 129.71 2w3r s LEU 688 Ca 0.55 2.29 -0.07 0.00 -0.22 0.00 0.00 54.13 56.68 2w3r s LEU 688 Cb -0.20 -3.56 -0.26 0.00 0.50 0.00 0.00 46.19 42.67 2w3r s LEU 688 CO 0.18 -0.82 0.36 0.23 -1.32 0.00 0.00 176.35 174.99 2w3r n MET 689 N 5.67 0.76 -2.99 1.98 2.81 0.11 -4.53 117.12 120.93 2w3r n MET 689 Ca 0.15 0.27 -0.44 0.00 -1.81 0.00 0.00 57.70 55.87 2w3r n MET 689 Cb 0.42 -1.71 0.00 0.00 -0.71 0.00 0.00 33.22 31.22 2w3r n MET 689 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2w3r n THR 690 N -3.51 4.29 -1.16 2.03 -2.24 -1.20 -4.66 114.28 107.85 2w3r n THR 690 Ca -0.32 -4.80 0.04 0.00 -2.27 0.00 0.00 64.05 56.70 2w3r n THR 690 Cb 1.04 -2.48 0.06 0.00 -2.10 0.00 0.00 70.33 66.85 2w3r n THR 690 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w3r n HIS 691 N 5.26 0.00 -4.19 4.78 1.44 -1.26 -4.72 115.22 116.53 2w3r n HIS 691 Ca 0.35 -0.52 -0.11 0.00 -2.01 0.00 0.00 57.72 55.43 2w3r n HIS 691 Cb 0.42 -0.09 -0.10 0.00 0.12 0.00 0.00 29.99 30.34 2w3r n HIS 691 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2w3r s ALA 692 N -1.42 1.06 0.32 1.59 0.00 -1.26 -4.33 121.76 117.72 2w3r s ALA 692 Ca 0.14 -1.54 0.23 0.00 0.00 0.00 0.00 51.96 50.79 2w3r s ALA 692 Cb 0.12 0.80 1.12 0.00 0.00 0.00 0.00 23.12 25.17 2w3r s ALA 692 CO 0.01 -0.44 1.94 -1.35 0.00 0.00 0.00 175.76 175.92 2w3r h PRO 693 N 2.78 0.00 0.00 0.00 0.11 -1.97 0.17 132.00 133.08 2w3r h PRO 693 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 2w3r h PRO 693 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2w3r h PRO 693 CO 0.60 0.21 0.00 -1.13 -0.21 0.00 0.00 178.00 177.47 2w3r n SER 694 N -3.66 0.57 -0.03 -2.05 3.41 -1.26 -3.79 113.62 106.81 2w3r n SER 694 Ca -0.01 0.59 -0.02 0.00 -0.26 0.00 0.00 58.87 59.16 2w3r n SER 694 Cb 0.34 -0.73 -0.04 0.00 -0.26 0.00 0.00 64.21 63.51 2w3r n SER 694 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2w3r n THR 695 N -2.07 0.36 -3.63 6.66 -2.24 -1.00 -4.95 114.28 107.39 2w3r n THR 695 Ca 0.04 -0.23 -0.37 0.00 -2.27 0.00 0.00 64.05 61.22 2w3r n THR 695 Cb 0.33 -0.75 -0.11 0.00 -2.10 0.00 0.00 70.33 67.70 2w3r n THR 695 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2w3r s TYR 696 N -2.16 3.23 -0.63 4.78 5.04 0.55 -4.85 117.35 123.31 2w3r s TYR 696 Ca -0.03 0.09 -0.03 0.00 -2.44 0.00 0.00 57.07 54.66 2w3r s TYR 696 Cb 0.02 -2.33 0.16 0.00 0.35 0.00 0.00 41.96 40.16 2w3r s TYR 696 CO 0.23 -0.12 0.45 0.15 -1.34 0.00 0.00 175.55 174.93 2w3r s LYS 697 N 1.54 2.60 0.67 4.97 3.01 -1.26 -4.50 119.74 126.76 2w3r s LYS 697 Ca 0.07 -2.54 -0.12 0.00 -1.01 0.00 0.00 55.97 52.38 2w3r s LYS 697 Cb -0.15 -3.75 -0.01 0.00 -1.01 0.00 0.00 37.83 32.91 2w3r s LYS 697 CO 0.08 -1.18 1.05 0.96 0.51 0.00 0.00 175.35 176.78 2w3r s ILE 698 N -0.07 4.13 -0.11 2.17 -4.36 -1.26 -3.40 121.20 118.29 2w3r s ILE 698 Ca 0.17 0.73 -0.35 0.00 -0.26 0.00 0.00 60.65 60.94 2w3r s ILE 698 Cb -0.20 -3.48 -0.13 0.00 1.25 0.00 0.00 42.46 39.90 2w3r s ILE 698 CO -0.04 -0.86 1.84 -2.65 0.24 0.00 0.00 174.94 173.47 2w3r n PRO 699 N -2.90 1.99 -2.34 0.37 -0.02 -1.26 -5.00 135.00 125.85 2w3r n PRO 699 Ca 0.07 0.73 -0.24 0.00 -2.02 0.00 0.00 63.50 62.04 2w3r n PRO 699 Cb 0.54 -2.54 0.06 0.00 -0.02 0.00 0.00 33.50 31.53 2w3r n PRO 699 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2w3r s ALA 700 N 3.81 3.39 0.14 3.55 0.00 -1.26 -4.95 121.76 126.43 2w3r s ALA 700 Ca 0.93 -1.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.51 2w3r s ALA 700 Cb -0.76 -2.44 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 2w3r s ALA 700 CO 0.53 -1.14 1.55 0.35 0.00 0.00 0.00 175.76 177.05 2w3r h PHE 701 N -0.40 -1.75 0.00 0.00 3.57 -2.01 0.11 116.94 116.47 2w3r h PHE 701 Ca -0.44 0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.16 2w3r h PHE 701 Cb 1.31 0.84 0.00 0.00 2.79 0.00 0.00 35.95 40.89 2w3r h PHE 701 CO 0.33 -0.45 0.00 0.66 -2.23 0.00 0.00 178.31 176.62 2w3r h SER 702 N -0.27 0.00 0.77 0.41 4.64 -2.03 -2.47 113.55 114.60 2w3r h SER 702 Ca 0.10 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.42 2w3r h SER 702 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.63 2w3r h SER 702 CO -0.70 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 175.73 2w3r n ASP 703 N -2.82 0.30 -4.67 4.97 8.00 0.39 -4.80 116.55 117.92 2w3r n ASP 703 Ca -0.02 0.56 -0.35 0.00 0.71 0.00 0.00 54.79 55.69 2w3r n ASP 703 Cb 0.06 -0.63 0.10 0.00 -0.02 0.00 0.00 41.12 40.64 2w3r n ASP 703 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 2w3r n ARG 704 N -1.82 0.49 -1.88 -1.24 1.85 -0.93 -4.76 116.66 108.37 2w3r n ARG 704 Ca 0.04 0.23 -0.42 0.00 -1.00 0.00 0.00 57.85 56.71 2w3r n ARG 704 Cb 0.25 -2.39 -0.02 0.00 -1.05 0.00 0.00 32.46 29.25 2w3r n ARG 704 CO 0.00 0.00 0.00 -2.14 -0.01 0.00 0.00 177.63 175.48 2w3r s PRO 705 N -3.69 4.19 0.49 2.89 0.02 -1.26 -4.86 135.00 132.78 2w3r s PRO 705 Ca 0.75 2.45 0.15 0.00 0.02 0.00 0.00 61.00 64.38 2w3r s PRO 705 Cb -0.33 -3.09 1.17 0.00 0.02 0.00 0.00 34.50 32.27 2w3r s PRO 705 CO 0.48 -0.59 2.08 0.00 -0.33 0.00 0.00 177.00 178.65 2w3r h ARG 706 N 5.71 0.17 -5.14 5.54 2.47 -1.49 -3.36 114.38 118.27 2w3r h ARG 706 Ca -0.45 -0.01 -0.64 0.00 -1.26 0.00 0.00 59.98 57.62 2w3r h ARG 706 Cb 1.21 -0.04 -0.33 0.00 -1.65 0.00 0.00 29.97 29.16 2w3r h ARG 706 CO 0.85 0.11 -0.86 0.42 0.56 0.00 0.00 179.97 181.05 2w3r s ILE 707 N -5.20 1.84 -0.50 2.04 1.01 -0.62 -4.99 121.20 114.78 2w3r s ILE 707 Ca -0.06 -0.89 0.04 0.00 0.00 0.00 0.00 60.65 59.74 2w3r s ILE 707 Cb 0.18 -1.61 0.16 0.00 0.01 0.00 0.00 42.46 41.20 2w3r s ILE 707 CO 0.70 0.51 0.35 0.12 0.00 0.00 0.00 174.94 176.62 2w3r s PHE 708 N 0.46 1.98 -0.68 3.97 5.99 -1.26 -0.18 117.98 128.25 2w3r s PHE 708 Ca -0.17 -2.59 -0.20 0.00 0.00 0.00 0.00 56.93 53.98 2w3r s PHE 708 Cb -0.17 -1.66 0.10 0.00 0.00 0.00 0.00 43.02 41.29 2w3r s PHE 708 CO 0.07 -0.74 0.86 -0.80 -0.00 0.00 0.00 175.22 174.61 2w3r s ASN 709 N -0.22 6.28 -0.29 6.13 0.01 -0.02 -5.02 114.94 121.81 2w3r s ASN 709 Ca 0.26 -1.45 -0.06 0.00 -0.71 0.00 0.00 52.86 50.89 2w3r s ASN 709 Cb -0.07 -2.35 0.01 0.00 0.41 0.00 0.00 41.25 39.25 2w3r s ASN 709 CO -0.13 -1.19 0.06 -0.69 -1.51 0.00 0.00 177.10 173.65 2w3r s VAL 710 N 3.00 3.80 0.01 1.60 1.01 -1.26 0.11 120.40 128.67 2w3r s VAL 710 Ca 0.19 -0.73 0.04 0.00 0.00 0.00 0.00 61.98 61.47 2w3r s VAL 710 Cb -0.18 -2.95 -0.01 0.00 0.00 0.00 0.00 36.38 33.23 2w3r s VAL 710 CO 0.04 0.10 -0.12 0.00 0.00 0.00 0.00 175.10 175.12 2w3r s ALA 711 N 1.47 1.01 0.00 5.51 0.00 -0.34 -4.98 121.76 124.44 2w3r s ALA 711 Ca 0.02 -0.64 -0.19 0.00 0.00 0.00 0.00 51.96 51.15 2w3r s ALA 711 Cb -0.17 -0.20 -0.06 0.00 0.00 0.00 0.00 23.12 22.69 2w3r s ALA 711 CO 0.01 0.21 0.54 -0.51 0.00 0.00 0.00 175.76 176.02 2w3r s LEU 712 N -0.70 4.44 -0.41 0.00 1.43 -1.26 -1.91 118.68 120.26 2w3r s LEU 712 Ca 0.02 1.12 -0.29 0.00 -1.03 0.00 0.00 54.13 53.95 2w3r s LEU 712 Cb -0.06 -2.84 0.02 0.00 0.03 0.00 0.00 46.19 43.34 2w3r s LEU 712 CO 0.00 0.17 1.18 0.86 0.23 0.00 0.00 176.35 178.80 2w3r s TRP 713 N -0.49 2.81 -0.62 0.29 -0.11 0.35 -4.85 118.94 116.31 2w3r s TRP 713 Ca 0.29 0.83 -0.09 0.00 1.22 0.00 0.00 56.10 58.35 2w3r s TRP 713 Cb -0.18 -4.20 0.16 0.00 -1.50 0.00 0.00 33.47 27.75 2w3r s TRP 713 CO 0.16 -1.31 0.50 0.34 -4.62 0.00 0.00 176.95 172.02 2w3r s ASP 714 N 2.54 5.86 -0.16 5.86 -1.08 -1.26 -3.78 116.67 124.65 2w3r s ASP 714 Ca 0.50 -2.44 -0.07 0.00 -0.52 0.00 0.00 52.55 50.02 2w3r s ASP 714 Cb -0.10 -2.02 0.07 0.00 -1.46 0.00 0.00 42.92 39.40 2w3r s ASP 714 CO 0.27 -0.56 0.36 -1.58 0.52 0.00 0.00 175.17 174.19 2w3r s GLN 715 N 0.56 0.30 0.54 4.34 0.74 -1.25 -4.99 119.66 119.90 2w3r s GLN 715 Ca 0.13 0.80 -0.21 0.00 0.05 0.00 0.00 55.36 56.12 2w3r s GLN 715 Cb -0.20 0.05 -0.06 0.00 1.10 0.00 0.00 33.01 33.90 2w3r s GLN 715 CO -0.04 -0.20 1.17 -2.30 -0.55 0.00 0.00 175.29 173.37 2w3r n PRO 716 N 4.72 1.39 -1.90 1.67 -0.02 -1.26 -3.46 135.00 136.14 2w3r n PRO 716 Ca -0.17 0.52 -0.41 0.00 -2.02 0.00 0.00 63.50 61.41 2w3r n PRO 716 Cb 0.52 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.65 2w3r n PRO 716 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 2w3r s ASN 717 N -0.97 6.48 0.07 2.55 3.84 -0.17 -4.80 114.94 121.94 2w3r s ASN 717 Ca 0.71 2.94 -0.15 0.00 0.21 0.00 0.00 52.86 56.56 2w3r s ASN 717 Cb -0.45 -2.66 -0.17 0.00 -0.55 0.00 0.00 41.25 37.42 2w3r s ASN 717 CO 0.50 -0.77 1.27 -0.09 -2.79 0.00 0.00 177.10 175.22 2w3r h ARG 718 N 3.14 0.66 -7.21 0.43 2.43 -1.92 -3.44 114.38 108.47 2w3r h ARG 718 Ca -0.50 -0.54 -0.48 0.00 -0.81 0.00 0.00 59.98 57.65 2w3r h ARG 718 Cb 1.23 0.11 0.02 0.00 -0.42 0.00 0.00 29.97 30.92 2w3r h ARG 718 CO 0.65 1.15 0.37 -1.21 -1.51 0.00 0.00 179.97 179.42 2w3r s GLU 719 N -3.72 3.87 -1.51 0.20 0.41 -1.26 -4.96 118.70 111.74 2w3r s GLU 719 Ca -0.12 0.89 -0.13 0.00 -0.41 0.00 0.00 54.97 55.21 2w3r s GLU 719 Cb 0.07 -2.14 0.00 0.00 -1.78 0.00 0.00 34.13 30.29 2w3r s GLU 719 CO 0.87 -0.31 2.45 0.39 -0.49 0.00 0.00 175.26 178.16 2w3r n GLU 720 N -1.79 3.15 -2.09 1.61 1.02 -1.26 -4.82 120.64 116.46 2w3r n GLU 720 Ca 0.06 -2.51 -0.28 0.00 -0.02 0.00 0.00 57.16 54.41 2w3r n GLU 720 Cb 0.54 -3.12 0.13 0.00 -0.02 0.00 0.00 31.44 28.97 2w3r n GLU 720 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 2w3r s THR 721 N 2.76 2.08 -0.24 2.62 -4.23 -1.26 -4.96 115.64 112.41 2w3r s THR 721 Ca 0.54 -0.16 -0.31 0.00 -1.18 0.00 0.00 61.69 60.58 2w3r s THR 721 Cb 0.15 -2.93 -0.08 0.00 1.34 0.00 0.00 72.50 70.99 2w3r s THR 721 CO -0.08 0.00 2.17 0.00 -0.54 0.00 0.00 174.62 176.17 2w3r n ILE 722 N -3.35 0.33 -4.20 2.99 0.13 -1.26 -2.24 119.36 111.76 2w3r n ILE 722 Ca 0.12 -0.35 -0.30 0.00 -1.10 0.00 0.00 62.75 61.12 2w3r n ILE 722 Cb 0.60 -2.18 -0.06 0.00 -0.84 0.00 0.00 39.64 37.16 2w3r n ILE 722 CO 0.00 0.00 0.00 0.49 2.80 0.00 0.00 176.55 179.84 2w3r n PHE 723 N 10.45 -1.44 -2.00 9.51 3.01 -1.26 -1.68 117.46 134.05 2w3r n PHE 723 Ca 0.33 0.68 -0.10 0.00 1.01 0.00 0.00 57.45 59.37 2w3r n PHE 723 Cb 0.36 -3.08 -0.02 0.00 -0.01 0.00 0.00 39.48 36.72 2w3r n PHE 723 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2w3r n ARG 724 N -4.46 -1.92 -2.26 -1.08 5.12 -0.95 -4.66 116.66 106.44 2w3r n ARG 724 Ca -0.25 0.53 -0.26 0.00 -1.93 0.00 0.00 57.85 55.93 2w3r n ARG 724 Cb 0.66 -4.96 0.05 0.00 -1.16 0.00 0.00 32.46 27.05 2w3r n ARG 724 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 2w3r s SER 725 N -1.96 5.16 0.03 0.55 1.04 -0.68 -0.96 113.70 116.87 2w3r s SER 725 Ca 0.00 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.09 2w3r s SER 725 Cb 0.00 -1.39 -0.02 0.00 0.10 0.00 0.00 66.02 64.71 2w3r s SER 725 CO 0.00 -1.37 -0.21 -0.54 0.98 0.00 0.00 173.24 172.10 2w3r s LYS 726 N -5.15 1.50 0.30 4.02 1.02 0.85 -4.68 119.74 117.59 2w3r s LYS 726 Ca 0.58 -0.89 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 2w3r s LYS 726 Cb -0.11 -1.56 -0.12 0.00 -0.52 0.00 0.00 37.83 35.52 2w3r s LYS 726 CO 0.45 0.41 1.45 0.00 -0.92 0.00 0.00 175.35 176.74 2w3r n ALA 727 N 2.06 1.77 -0.63 5.17 0.00 -1.26 -4.66 120.51 122.95 2w3r n ALA 727 Ca -0.17 0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2w3r n ALA 727 Cb 0.53 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.63 2w3r n ALA 727 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2w3r n VAL 728 N 1.47 0.32 -0.05 0.00 3.14 -1.26 -4.82 118.33 117.12 2w3r n VAL 728 Ca 0.08 -0.34 -0.11 0.00 -2.96 0.00 0.00 64.34 61.01 2w3r n VAL 728 Cb 0.35 0.93 0.03 0.00 -1.06 0.00 0.00 33.84 34.09 2w3r n VAL 728 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 2w3r h GLY 729 N 0.00 0.81 0.00 7.55 0.00 -1.91 -3.41 103.07 106.11 2w3r h GLY 729 Ca 0.00 -0.87 -0.05 0.00 0.00 0.00 0.00 47.33 46.40 2w3r h GLY 729 CO 0.00 0.78 -1.21 1.18 0.00 0.00 0.00 176.54 177.30 2w3r n GLU 730 N -4.02 0.09 -0.32 4.80 1.02 -1.26 -4.77 120.64 116.19 2w3r n GLU 730 Ca -0.03 0.02 0.19 0.00 -0.02 0.00 0.00 57.16 57.32 2w3r n GLU 730 Cb 0.57 -1.02 0.38 0.00 -0.02 0.00 0.00 31.44 31.35 2w3r n GLU 730 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 2w3r h PRO 731 N -0.02 0.22 0.00 3.49 0.11 -1.88 -0.39 132.00 133.54 2w3r h PRO 731 Ca -0.08 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.01 2w3r h PRO 731 Cb 1.12 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2w3r h PRO 731 CO -0.02 0.14 0.00 -1.35 -0.21 0.00 0.00 178.00 176.57 2w3r h PRO 732 N 0.23 0.00 -0.29 1.05 0.11 -1.86 -2.13 132.00 129.10 2w3r h PRO 732 Ca 0.65 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.73 2w3r h PRO 732 Cb 1.41 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.51 2w3r h PRO 732 CO -0.66 0.00 0.08 0.35 -0.21 0.00 0.00 178.00 177.55 2w3r h PHE 733 N 0.00 0.41 0.00 0.65 3.57 -1.23 -2.04 116.94 118.31 2w3r h PHE 733 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 2w3r h PHE 733 Cb 0.32 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2w3r h PHE 733 CO 0.00 0.36 0.00 1.28 -2.23 0.00 0.00 178.31 177.72 2w3r n LEU 734 N -4.38 0.00 0.23 0.59 4.32 -0.80 -2.51 117.00 114.45 2w3r n LEU 734 Ca 0.01 0.39 0.14 0.00 -0.02 0.00 0.00 56.01 56.53 2w3r n LEU 734 Cb 0.16 -0.39 0.36 0.00 -1.62 0.00 0.00 43.42 41.93 2w3r n LEU 734 CO 0.37 -0.19 0.88 -0.07 -1.22 0.00 0.00 177.39 177.16 2w3r h LEU 735 N 0.00 0.00 -2.37 2.23 3.38 -1.51 -3.15 115.31 113.89 2w3r h LEU 735 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2w3r h LEU 735 Cb 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2w3r h LEU 735 CO 0.00 0.00 -0.03 1.23 0.09 0.00 0.00 178.44 179.73 2w3r h GLY 736 N 3.33 0.00 -0.05 0.83 0.00 -1.66 -2.92 103.07 102.61 2w3r h GLY 736 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2w3r h GLY 736 CO 0.00 0.00 -0.16 -2.22 0.00 0.00 0.00 176.54 174.16 2w3r h ILE 737 N 0.00 0.44 -0.96 2.60 2.04 -1.77 -1.89 117.51 117.96 2w3r h ILE 737 Ca -0.00 0.00 0.21 0.00 1.00 0.00 0.00 64.86 66.07 2w3r h ILE 737 Cb 0.17 0.44 -0.08 0.00 -0.74 0.00 0.00 36.82 36.61 2w3r h ILE 737 CO 0.00 0.00 0.62 0.77 0.00 0.00 0.00 178.15 179.55 2w3r h SER 738 N -0.05 0.50 -0.43 1.72 4.64 -1.76 0.23 113.55 118.40 2w3r h SER 738 Ca 0.23 0.06 -0.04 0.00 -0.47 0.00 0.00 61.79 61.58 2w3r h SER 738 Cb 0.41 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.45 2w3r h SER 738 CO -0.53 0.18 0.13 0.00 -0.87 0.00 0.00 176.83 175.74 2w3r h ALA 739 N 1.62 0.56 -0.55 5.18 0.00 -1.53 0.11 119.26 124.65 2w3r h ALA 739 Ca 0.52 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 2w3r h ALA 739 Cb 1.19 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.79 2w3r h ALA 739 CO -0.25 0.22 0.16 0.35 0.00 0.00 0.00 179.25 179.73 2w3r h PHE 740 N 0.55 0.89 -0.44 0.00 3.57 -0.99 -0.90 116.94 119.64 2w3r h PHE 740 Ca 0.14 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 61.49 2w3r h PHE 740 Cb 0.28 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2w3r h PHE 740 CO 0.01 0.76 0.06 -0.07 -2.23 0.00 0.00 178.31 176.84 2w3r h LEU 741 N 0.76 0.63 -0.50 0.59 4.07 -0.78 -1.20 115.31 118.90 2w3r h LEU 741 Ca 0.18 -0.12 -0.17 0.00 0.08 0.00 0.00 57.88 57.85 2w3r h LEU 741 Cb 0.30 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2w3r h LEU 741 CO -0.00 0.67 -0.72 0.00 -1.08 0.00 0.00 178.44 177.31 2w3r h ALA 742 N 1.41 0.71 -0.58 1.53 0.00 -0.63 0.12 119.26 121.83 2w3r h ALA 742 Ca 0.14 -0.62 0.01 0.00 0.00 0.00 0.00 54.91 54.44 2w3r h ALA 742 Cb 0.32 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2w3r h ALA 742 CO 0.01 0.81 0.37 -0.07 0.00 0.00 0.00 179.25 180.37 2w3r h LEU 743 N 0.14 0.63 -0.64 0.00 4.07 -0.72 -1.39 115.31 117.39 2w3r h LEU 743 Ca -0.02 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.90 2w3r h LEU 743 Cb 1.28 -0.15 -0.03 0.00 1.08 0.00 0.00 40.66 42.84 2w3r h LEU 743 CO 0.11 0.45 0.29 -0.74 -1.08 0.00 0.00 178.44 177.46 2w3r h HIS 744 N 0.75 0.95 -0.65 1.13 -0.00 -1.01 -2.93 115.15 113.39 2w3r h HIS 744 Ca 0.22 -0.06 0.01 0.00 -0.00 0.00 0.00 60.37 60.55 2w3r h HIS 744 Cb -0.05 -0.29 -0.03 0.00 -0.00 0.00 0.00 27.41 27.04 2w3r h HIS 744 CO -0.04 0.73 0.43 0.22 -0.00 0.00 0.00 177.93 179.26 2w3r h ASP 745 N 0.89 0.72 -0.56 3.26 3.58 -0.57 -0.21 116.42 123.54 2w3r h ASP 745 Ca 0.22 -0.02 -0.06 0.00 0.42 0.00 0.00 57.03 57.60 2w3r h ASP 745 Cb 0.16 -0.18 -0.03 0.00 1.72 0.00 0.00 39.33 41.00 2w3r h ASP 745 CO -0.02 0.51 0.15 0.00 -2.88 0.00 0.00 179.24 177.00 2w3r h ALA 746 N 1.60 1.13 -0.32 -0.78 0.00 -1.15 -3.00 119.26 116.75 2w3r h ALA 746 Ca 0.24 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2w3r h ALA 746 Cb -0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2w3r h ALA 746 CO -0.06 0.59 -0.00 0.00 0.00 0.00 0.00 179.25 179.78 2w3r h ALA 748 N 0.85 1.55 -0.58 0.00 0.00 -1.09 -1.49 119.26 118.50 2w3r h ALA 748 Ca 0.09 -0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.67 2w3r h ALA 748 Cb 0.45 0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.07 2w3r h ALA 748 CO 0.02 -0.26 0.42 0.00 0.00 0.00 0.00 179.25 179.42 2w3r n ALA 749 N -2.18 4.59 -0.44 0.00 0.00 -1.07 -3.82 120.51 117.58 2w3r n ALA 749 Ca 0.00 -1.76 0.00 0.00 0.00 0.00 0.00 53.44 51.68 2w3r n ALA 749 Cb 0.30 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.43 2w3r n ALA 749 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2w3r n GLY 751 N -0.20 -1.75 0.05 0.00 0.00 -1.24 -3.91 105.19 98.13 2w3r n GLY 751 Ca 0.00 -1.33 0.12 0.00 0.00 0.00 0.00 46.02 44.81 2w3r n GLY 751 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2w3r n PRO 752 N -0.45 0.16 -2.89 1.61 -0.04 -1.19 -4.88 135.00 127.33 2w3r n PRO 752 Ca 0.00 -0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 62.98 2w3r n PRO 752 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2w3r n PRO 752 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2w3r s HIS 753 N -2.91 3.78 -0.10 0.54 3.76 -1.05 -5.01 115.29 114.30 2w3r s HIS 753 Ca 0.13 1.69 -0.29 0.00 -0.15 0.00 0.00 55.06 56.43 2w3r s HIS 753 Cb 0.18 -2.83 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 2w3r s HIS 753 CO 0.70 0.35 1.76 -0.46 -0.85 0.00 0.00 174.74 176.24 2w3r s TRP 754 N -1.42 1.80 0.18 1.40 -0.11 -1.26 -4.24 118.94 115.28 2w3r s TRP 754 Ca 0.44 0.20 0.30 0.00 1.22 0.00 0.00 56.10 58.26 2w3r s TRP 754 Cb -0.20 -4.00 1.28 0.00 -1.50 0.00 0.00 33.47 29.04 2w3r s TRP 754 CO 0.25 -3.96 1.96 -1.35 -4.62 0.00 0.00 176.95 169.23 2w3r h PRO 755 N 10.61 0.00 -6.72 5.86 0.11 -1.90 -3.41 132.00 136.56 2w3r h PRO 755 Ca -0.40 0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.21 2w3r h PRO 755 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2w3r h PRO 755 CO 0.97 0.09 -1.01 -3.47 -0.21 0.00 0.00 178.00 174.37 2w3r n ASP 756 N -3.26 -4.79 -4.75 -2.05 2.03 -1.26 -4.43 116.55 98.03 2w3r n ASP 756 Ca -0.00 -1.04 -0.41 0.00 0.52 0.00 0.00 54.79 53.86 2w3r n ASP 756 Cb 0.33 -1.94 -0.04 0.00 -0.72 0.00 0.00 41.12 38.75 2w3r n ASP 756 CO 0.00 0.00 0.00 -0.22 -1.92 0.00 0.00 177.20 175.06 2w3r s LEU 757 N -5.83 4.53 -0.04 -2.67 2.96 -1.26 -4.80 118.68 111.57 2w3r s LEU 757 Ca 0.19 2.20 -0.01 0.00 -0.22 0.00 0.00 54.13 56.30 2w3r s LEU 757 Cb -0.10 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 2w3r s LEU 757 CO 0.91 -0.18 0.03 -1.10 -1.32 0.00 0.00 176.35 174.70 2w3r s GLN 758 N -1.00 2.97 -0.10 1.98 -1.52 -1.26 -4.93 119.66 115.80 2w3r s GLN 758 Ca 0.47 -0.48 -0.16 0.00 -1.95 0.00 0.00 55.36 53.24 2w3r s GLN 758 Cb -0.31 -2.80 -0.05 0.00 -0.22 0.00 0.00 33.01 29.63 2w3r s GLN 758 CO 0.38 0.67 0.40 0.00 -0.25 0.00 0.00 175.29 176.49 2w3r s ALA 759 N -1.05 3.57 0.15 6.09 0.00 -0.99 -2.49 121.76 127.04 2w3r s ALA 759 Ca 0.18 -0.28 -0.30 0.00 0.00 0.00 0.00 51.96 51.56 2w3r s ALA 759 Cb -0.12 -2.50 -0.07 0.00 0.00 0.00 0.00 23.12 20.44 2w3r s ALA 759 CO 0.08 0.16 0.96 -1.25 0.00 0.00 0.00 175.76 175.71 2w3r s PRO 760 N 0.13 4.74 -1.11 0.00 0.04 -1.26 -2.37 135.00 135.17 2w3r s PRO 760 Ca 0.22 1.47 -0.15 0.00 0.04 0.00 0.00 61.00 62.59 2w3r s PRO 760 Cb -0.15 -3.34 -0.07 0.00 0.04 0.00 0.00 34.50 30.98 2w3r s PRO 760 CO 0.09 0.30 2.18 0.00 0.04 0.00 0.00 177.00 179.61 2w3r n ALA 761 N 2.39 4.75 -1.15 8.56 0.00 -0.33 -4.79 120.51 129.94 2w3r n ALA 761 Ca 0.01 -3.26 -0.31 0.00 0.00 0.00 0.00 53.44 49.87 2w3r n ALA 761 Cb 0.48 -3.46 0.11 0.00 0.00 0.00 0.00 19.45 16.58 2w3r n ALA 761 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2w3r s THR 762 N 3.83 2.93 0.32 0.00 -4.23 -1.11 -4.56 115.64 112.82 2w3r s THR 762 Ca 0.52 0.33 0.10 0.00 -1.18 0.00 0.00 61.69 61.46 2w3r s THR 762 Cb 0.14 -2.71 0.31 0.00 1.34 0.00 0.00 72.50 71.59 2w3r s THR 762 CO 0.01 -0.37 1.70 -0.65 -0.54 0.00 0.00 174.62 174.76 2w3r h PRO 763 N -1.13 0.44 0.27 3.99 0.11 -1.87 0.32 132.00 134.13 2w3r h PRO 763 Ca -0.44 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.63 2w3r h PRO 763 Cb 1.25 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2w3r h PRO 763 CO 0.49 0.29 -0.13 1.49 -0.21 0.00 0.00 178.00 179.93 2w3r h GLU 764 N 0.46 -0.35 0.00 1.05 4.81 -1.87 -0.05 114.58 118.62 2w3r h GLU 764 Ca 0.66 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.88 2w3r h GLU 764 Cb 1.34 0.08 -0.00 0.00 0.63 0.00 0.00 28.75 30.79 2w3r h GLU 764 CO -0.53 -0.23 -0.14 0.00 -0.73 0.00 0.00 179.01 177.38 2w3r h ALA 765 N 0.36 1.51 0.00 2.92 0.00 -1.31 0.99 119.26 123.74 2w3r h ALA 765 Ca -0.04 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2w3r h ALA 765 Cb 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2w3r h ALA 765 CO 0.06 0.18 -0.00 0.28 0.00 0.00 0.00 179.25 179.77 2w3r h VAL 766 N 0.00 1.41 -0.67 0.00 2.07 -0.27 -2.54 116.25 116.25 2w3r h VAL 766 Ca -0.00 -1.22 0.04 0.00 0.82 0.00 0.00 66.70 66.34 2w3r h VAL 766 Cb 0.30 2.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.26 2w3r h VAL 766 CO 0.02 0.32 0.40 0.25 0.02 0.00 0.00 177.57 178.58 2w3r h LEU 767 N -0.52 0.64 -1.60 2.57 5.85 -0.43 0.02 115.31 121.84 2w3r h LEU 767 Ca -0.00 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 2w3r h LEU 767 Cb 0.52 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 2w3r h LEU 767 CO 0.00 0.43 -0.10 0.00 -0.34 0.00 0.00 178.44 178.43 2w3r h ALA 768 N 1.31 1.67 -0.01 1.25 0.00 -0.87 -0.68 119.26 121.93 2w3r h ALA 768 Ca 0.28 -0.14 -0.24 0.00 0.00 0.00 0.00 54.91 54.81 2w3r h ALA 768 Cb 0.09 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.84 2w3r h ALA 768 CO -0.14 0.24 -0.94 0.00 0.00 0.00 0.00 179.25 178.41 2w3r h ALA 769 N 1.77 0.13 -0.02 0.00 0.00 -0.91 -3.04 119.26 117.19 2w3r h ALA 769 Ca 0.03 -0.67 0.01 0.00 0.00 0.00 0.00 54.91 54.28 2w3r h ALA 769 Cb 0.26 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 2w3r h ALA 769 CO 0.01 0.62 -0.02 0.28 0.00 0.00 0.00 179.25 180.15 2w3r h VAL 770 N 0.32 0.94 0.00 0.00 2.07 -0.59 -1.99 116.25 117.00 2w3r h VAL 770 Ca -0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 2w3r h VAL 770 Cb 1.60 0.94 -0.00 0.00 -1.52 0.00 0.00 31.29 32.31 2w3r h VAL 770 CO 0.19 0.00 -0.09 0.03 0.02 0.00 0.00 177.57 177.72 2w3r h ARG 771 N -0.02 0.00 0.09 1.57 3.08 -1.22 -1.34 114.38 116.53 2w3r h ARG 771 Ca 0.02 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.06 2w3r h ARG 771 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2w3r h ARG 771 CO -0.04 0.09 -0.04 0.00 -1.07 0.00 0.00 179.97 178.91 2w3r h ARG 772 N 0.00 -0.11 -0.78 0.04 3.08 -1.38 0.17 114.38 115.40 2w3r h ARG 772 Ca -0.00 0.01 0.18 0.00 0.07 0.00 0.00 59.98 60.24 2w3r h ARG 772 Cb 0.21 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 2w3r h ARG 772 CO 0.01 0.38 0.53 0.00 -1.07 0.00 0.00 179.97 179.82 2w3r h ALA 773 N 0.12 2.33 0.09 0.04 0.00 -0.57 -0.74 119.26 120.53 2w3r h ALA 773 Ca -0.01 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 2w3r h ALA 773 Cb 0.55 -0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2w3r h ALA 773 CO 0.02 -0.55 -0.72 0.93 0.00 0.00 0.00 179.25 178.93 2w3r h GLU 774 N 0.27 0.32 0.00 0.00 5.08 -1.34 -2.76 114.58 116.15 2w3r h GLU 774 Ca 0.39 -0.47 0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2w3r h GLU 774 Cb 1.11 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.52 2w3r h GLU 774 CO -0.10 1.19 0.00 0.41 -1.00 0.00 0.00 179.01 179.51 2w3r n GLY 775 N 1.48 0.69 2.93 -3.84 0.00 -0.28 -4.85 105.19 101.32 2w3r n GLY 775 Ca -0.13 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.59 2w3r n GLY 775 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2w3r s ARG 776 N 0.61 1.48 0.00 1.61 0.52 0.52 -5.03 118.95 118.65 2w3r s ARG 776 Ca 0.00 -1.22 0.00 0.00 -0.52 0.00 0.00 55.73 53.99 2w3r s ARG 776 Cb 0.00 -2.64 0.00 0.00 0.52 0.00 0.00 34.95 32.83 2w3r s ARG 776 CO 0.00 -0.74 0.00 0.00 0.02 0.00 0.00 175.30 174.58