#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wui s SER 20 N 0.00 4.47 0.19 6.43 1.04 -1.26 -4.84 113.70 119.73 1wui s SER 20 Ca 0.00 -1.44 -0.30 0.00 0.48 0.00 0.00 55.95 54.69 1wui s SER 20 Cb 0.00 -1.55 -0.08 0.00 0.10 0.00 0.00 66.02 64.49 1wui s SER 20 CO 0.00 -0.20 1.02 -0.47 0.98 0.00 0.00 173.24 174.57 1wui s TYR 21 N 1.09 3.76 -0.05 5.02 5.04 -1.26 -4.32 117.35 126.63 1wui s TYR 21 Ca -0.08 1.76 0.05 0.00 -2.44 0.00 0.00 57.07 56.36 1wui s TYR 21 Cb -0.20 -3.13 -0.01 0.00 0.35 0.00 0.00 41.96 38.97 1wui s TYR 21 CO -0.05 -0.08 -0.22 -1.12 -1.34 0.00 0.00 175.55 172.74 1wui s SER 22 N -0.51 2.73 0.00 4.32 0.01 -1.26 0.24 113.70 119.23 1wui s SER 22 Ca 0.46 -0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.26 1wui s SER 22 Cb -0.27 -0.78 0.00 0.00 0.21 0.00 0.00 66.02 65.18 1wui s SER 22 CO 0.34 0.21 0.00 0.61 0.41 0.00 0.00 173.24 174.80 1wui n GLY 23 N 3.05 0.50 3.86 3.44 0.00 0.11 -4.98 105.19 111.16 1wui n GLY 23 Ca -0.18 -1.82 -0.32 0.00 0.00 0.00 0.00 46.02 43.71 1wui n GLY 23 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1wui s PRO 24 N -1.65 3.78 -0.02 1.61 0.04 -1.26 -0.50 135.00 136.99 1wui s PRO 24 Ca 0.00 0.84 0.02 0.00 0.04 0.00 0.00 61.00 61.90 1wui s PRO 24 Cb 0.00 -2.12 0.01 0.00 0.04 0.00 0.00 34.50 32.43 1wui s PRO 24 CO 0.00 -0.41 -0.06 0.42 0.04 0.00 0.00 177.00 177.00 1wui s ILE 25 N -2.88 0.53 -0.05 0.56 1.01 -0.34 -4.91 121.20 115.11 1wui s ILE 25 Ca 0.57 -0.20 0.06 0.00 0.00 0.00 0.00 60.65 61.08 1wui s ILE 25 Cb -0.10 -0.50 -0.01 0.00 0.01 0.00 0.00 42.46 41.85 1wui s ILE 25 CO 0.42 0.19 -0.24 -0.69 0.00 0.00 0.00 174.94 174.62 1wui s VAL 26 N 0.40 2.12 -0.29 2.92 1.01 -1.26 -0.73 120.40 124.57 1wui s VAL 26 Ca -0.05 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.91 1wui s VAL 26 Cb -0.09 -1.77 0.08 0.00 0.00 0.00 0.00 36.38 34.60 1wui s VAL 26 CO -0.00 0.57 -0.04 -0.69 0.00 0.00 0.00 175.10 174.94 1wui s VAL 27 N -0.23 2.16 -0.27 2.92 1.01 0.17 -5.00 120.40 121.16 1wui s VAL 27 Ca -0.02 -1.90 0.00 0.00 0.00 0.00 0.00 61.98 60.07 1wui s VAL 27 Cb -0.13 -2.41 0.16 0.00 0.00 0.00 0.00 36.38 34.00 1wui s VAL 27 CO 0.03 -0.27 0.46 -0.62 0.00 0.00 0.00 175.10 174.70 1wui s ASP 28 N 1.04 -0.29 0.29 3.32 3.68 -1.26 -1.21 116.67 122.24 1wui s ASP 28 Ca -0.01 0.19 -0.20 0.00 2.13 0.00 0.00 52.55 54.66 1wui s ASP 28 Cb -0.20 1.45 -0.09 0.00 -1.45 0.00 0.00 42.92 42.63 1wui s ASP 28 CO -0.07 -0.31 0.80 -2.16 0.13 0.00 0.00 175.17 173.56 1wui s PRO 29 N 2.65 4.26 -0.30 4.34 0.04 -1.26 -5.08 135.00 139.65 1wui s PRO 29 Ca 0.13 0.94 -0.29 0.00 0.04 0.00 0.00 61.00 61.83 1wui s PRO 29 Cb -0.14 -2.68 -0.00 0.00 0.04 0.00 0.00 34.50 31.72 1wui s PRO 29 CO -0.22 0.27 1.38 0.08 0.04 0.00 0.00 177.00 178.55 1wui s VAL 30 N -1.73 4.02 0.65 -0.36 1.01 -0.31 -5.02 120.40 118.67 1wui s VAL 30 Ca 0.49 1.13 -0.01 0.00 0.00 0.00 0.00 61.98 63.59 1wui s VAL 30 Cb -0.15 -4.06 0.08 0.00 0.00 0.00 0.00 36.38 32.25 1wui s VAL 30 CO 0.20 -0.47 0.91 0.42 0.00 0.00 0.00 175.10 176.16 1wui s THR 31 N 4.68 2.39 -1.39 3.92 -4.23 -1.26 -4.46 115.64 115.28 1wui s THR 31 Ca 0.60 -0.55 -0.08 0.00 -1.18 0.00 0.00 61.69 60.48 1wui s THR 31 Cb -0.18 -2.84 0.03 0.00 1.34 0.00 0.00 72.50 70.85 1wui s THR 31 CO 0.25 0.00 1.00 0.54 -0.54 0.00 0.00 174.62 175.88 1wui n ARG 32 N -2.66 -6.36 -4.22 3.99 1.74 -1.26 -5.00 116.66 102.89 1wui n ARG 32 Ca 0.11 0.71 -0.13 0.00 -0.77 0.00 0.00 57.85 57.76 1wui n ARG 32 Cb 0.60 -5.61 -0.10 0.00 -1.02 0.00 0.00 32.46 26.33 1wui n ARG 32 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1wui s ILE 33 N -3.38 0.06 0.07 0.55 -4.36 -1.26 -4.73 121.20 108.14 1wui s ILE 33 Ca 0.43 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.56 1wui s ILE 33 Cb -0.21 -2.51 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 1wui s ILE 33 CO 0.78 0.00 0.82 -0.70 0.24 0.00 0.00 174.94 176.08 1wui s GLU 34 N -4.08 4.56 1.05 0.37 -6.30 -1.07 -4.98 118.70 108.24 1wui s GLU 34 Ca 0.39 1.18 0.00 0.00 -2.50 0.00 0.00 54.97 54.04 1wui s GLU 34 Cb 0.07 -3.36 0.00 0.00 0.00 0.00 0.00 34.13 30.84 1wui s GLU 34 CO 0.14 0.28 0.00 0.41 0.02 0.00 0.00 175.26 176.11 1wui n GLY 35 N 2.30 -1.90 3.12 -1.50 0.00 -1.26 -1.00 105.19 104.95 1wui n GLY 35 Ca -0.01 -1.51 -0.37 0.00 0.00 0.00 0.00 46.02 44.13 1wui n GLY 35 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1wui s HIS 36 N 0.00 3.54 -0.06 1.61 3.76 -1.26 -4.85 115.29 118.02 1wui s HIS 36 Ca 0.00 -2.45 0.06 0.00 -0.15 0.00 0.00 55.06 52.52 1wui s HIS 36 Cb 0.00 -3.24 -0.01 0.00 1.11 0.00 0.00 32.58 30.44 1wui s HIS 36 CO 0.00 -0.95 -0.24 -1.17 -0.85 0.00 0.00 174.74 171.54 1wui s LEU 37 N 0.89 2.05 -0.21 0.89 2.96 -1.26 -1.44 118.68 122.55 1wui s LEU 37 Ca 0.10 -0.49 -0.03 0.00 -0.22 0.00 0.00 54.13 53.49 1wui s LEU 37 Cb -0.22 -1.31 -0.00 0.00 0.50 0.00 0.00 46.19 45.15 1wui s LEU 37 CO -0.04 0.23 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.53 1wui s ARG 38 N -0.10 3.29 -0.18 1.98 3.52 0.17 -1.16 118.95 126.47 1wui s ARG 38 Ca -0.05 -0.67 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 1wui s ARG 38 Cb -0.14 -2.89 -0.03 0.00 -1.56 0.00 0.00 34.95 30.33 1wui s ARG 38 CO 0.04 -0.18 0.01 0.42 -0.81 0.00 0.00 175.30 174.79 1wui s ILE 39 N 1.37 4.26 -0.12 4.11 -1.09 -0.35 -0.83 121.20 128.55 1wui s ILE 39 Ca 0.05 -0.22 0.02 0.00 -2.23 0.00 0.00 60.65 58.26 1wui s ILE 39 Cb -0.14 -2.91 -0.01 0.00 -1.58 0.00 0.00 42.46 37.82 1wui s ILE 39 CO -0.05 0.45 -0.18 -1.61 -1.23 0.00 0.00 174.94 172.33 1wui s GLU 40 N 0.60 3.24 0.12 2.79 2.02 -0.76 -0.65 118.70 126.06 1wui s GLU 40 Ca 0.00 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.28 1wui s GLU 40 Cb -0.14 -2.50 -0.04 0.00 0.10 0.00 0.00 34.13 31.56 1wui s GLU 40 CO 0.02 0.20 -0.13 0.14 0.02 0.00 0.00 175.26 175.51 1wui s VAL 41 N 0.36 1.25 -0.18 2.63 -7.23 0.09 -0.53 120.40 116.78 1wui s VAL 41 Ca -0.14 -1.77 -0.07 0.00 -1.81 0.00 0.00 61.98 58.19 1wui s VAL 41 Cb -0.17 -1.56 -0.04 0.00 0.56 0.00 0.00 36.38 35.18 1wui s VAL 41 CO 0.07 -0.50 0.04 -1.61 -0.31 0.00 0.00 175.10 172.79 1wui s GLU 42 N -2.88 3.88 -0.06 4.82 2.02 -0.41 -1.20 118.70 124.88 1wui s GLU 42 Ca 0.10 -0.39 0.04 0.00 0.02 0.00 0.00 54.97 54.73 1wui s GLU 42 Cb -0.03 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.01 1wui s GLU 42 CO 0.02 0.23 -0.16 0.08 0.02 0.00 0.00 175.26 175.45 1wui s VAL 43 N 0.48 2.88 -0.12 2.63 1.01 0.35 -0.31 120.40 127.32 1wui s VAL 43 Ca 0.02 -0.78 -0.00 0.00 0.00 0.00 0.00 61.98 61.21 1wui s VAL 43 Cb -0.13 -2.12 0.02 0.00 0.00 0.00 0.00 36.38 34.15 1wui s VAL 43 CO 0.01 0.58 -0.08 -0.70 0.00 0.00 0.00 175.10 174.91 1wui s GLU 44 N -0.50 1.60 -1.46 2.72 2.12 0.32 -0.72 118.70 122.78 1wui s GLU 44 Ca 0.07 -0.28 -0.10 0.00 0.36 0.00 0.00 54.97 55.01 1wui s GLU 44 Cb -0.12 -1.63 0.06 0.00 0.26 0.00 0.00 34.13 32.70 1wui s GLU 44 CO 0.01 -0.26 0.95 0.09 -0.54 0.00 0.00 175.26 175.52 1wui n ASN 45 N 4.90 -4.19 0.00 -1.70 3.02 -1.06 -1.91 115.26 114.32 1wui n ASN 45 Ca -0.13 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.66 1wui n ASN 45 Cb 0.50 -4.09 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1wui n ASN 45 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1wui n GLY 46 N -1.70 0.59 3.10 7.41 0.00 0.14 -4.78 105.19 109.94 1wui n GLY 46 Ca -0.04 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.77 1wui n GLY 46 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wui s LYS 47 N -0.20 1.02 0.11 1.61 1.02 -0.80 -0.85 119.74 121.65 1wui s LYS 47 Ca 0.00 -0.51 -0.31 0.00 0.02 0.00 0.00 55.97 55.17 1wui s LYS 47 Cb 0.00 -0.99 -0.08 0.00 -0.52 0.00 0.00 37.83 36.24 1wui s LYS 47 CO 0.00 0.27 1.42 0.08 -0.92 0.00 0.00 175.35 176.20 1wui s VAL 48 N -0.39 3.23 -0.04 3.17 1.01 -0.08 -0.52 120.40 126.79 1wui s VAL 48 Ca 0.04 0.87 0.11 0.00 0.00 0.00 0.00 61.98 63.00 1wui s VAL 48 Cb -0.05 -3.56 -0.17 0.00 0.00 0.00 0.00 36.38 32.60 1wui s VAL 48 CO -0.00 0.06 0.25 1.17 0.00 0.00 0.00 175.10 176.58 1wui n LYS 49 N 4.10 0.47 -3.59 2.72 4.81 0.58 -0.51 118.16 126.73 1wui n LYS 49 Ca 0.12 -0.10 -0.14 0.00 -0.87 0.00 0.00 58.31 57.32 1wui n LYS 49 Cb 0.42 -1.25 -0.06 0.00 0.02 0.00 0.00 35.03 34.16 1wui n LYS 49 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 1wui s ASN 50 N -3.23 -0.42 -0.05 3.14 3.04 -1.13 -4.94 114.94 111.34 1wui s ASN 50 Ca -0.04 0.17 -0.17 0.00 0.04 0.00 0.00 52.86 52.86 1wui s ASN 50 Cb 0.07 0.48 0.03 0.00 -1.54 0.00 0.00 41.25 40.30 1wui s ASN 50 CO 0.46 -0.70 0.40 0.00 -3.04 0.00 0.00 177.10 174.22 1wui s ALA 51 N -2.37 -1.01 -0.04 1.71 0.00 -1.26 -1.28 121.76 117.51 1wui s ALA 51 Ca -0.06 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.61 1wui s ALA 51 Cb -0.01 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.01 1wui s ALA 51 CO -0.01 -0.26 -0.08 0.71 0.00 0.00 0.00 175.76 176.11 1wui s TYR 52 N -0.95 0.95 -0.41 0.00 2.02 0.31 -4.88 117.35 114.38 1wui s TYR 52 Ca -0.10 -0.27 -0.10 0.00 -0.37 0.00 0.00 57.07 56.23 1wui s TYR 52 Cb -0.04 -0.73 0.07 0.00 -0.40 0.00 0.00 41.96 40.86 1wui s TYR 52 CO 0.04 -0.16 0.26 0.45 -1.57 0.00 0.00 175.55 174.57 1wui s SER 53 N 0.52 5.68 -0.28 2.29 0.15 -1.26 -1.83 113.70 118.97 1wui s SER 53 Ca -0.08 -1.40 -0.04 0.00 0.70 0.00 0.00 55.95 55.12 1wui s SER 53 Cb -0.12 -2.00 0.02 0.00 -1.71 0.00 0.00 66.02 62.21 1wui s SER 53 CO 0.01 -0.52 0.02 -0.55 1.20 0.00 0.00 173.24 173.40 1wui s SER 54 N 2.05 4.79 -0.26 5.45 0.15 -0.01 -4.47 113.70 121.40 1wui s SER 54 Ca 0.03 -0.85 -0.15 0.00 0.70 0.00 0.00 55.95 55.68 1wui s SER 54 Cb -0.22 -1.78 -0.04 0.00 -1.71 0.00 0.00 66.02 62.27 1wui s SER 54 CO 0.03 -0.18 0.37 -0.44 1.20 0.00 0.00 173.24 174.22 1wui s SER 55 N 1.40 6.27 -0.08 5.45 0.01 -1.26 -0.66 113.70 124.82 1wui s SER 55 Ca 0.01 0.30 0.12 0.00 1.31 0.00 0.00 55.95 57.69 1wui s SER 55 Cb -0.17 -2.21 0.32 0.00 0.21 0.00 0.00 66.02 64.17 1wui s SER 55 CO -0.01 -0.16 1.24 0.35 0.41 0.00 0.00 173.24 175.07 1wui n THR 56 N 5.01 1.60 -4.57 1.44 -2.24 -0.52 -1.59 114.28 113.41 1wui n THR 56 Ca -0.09 -1.54 -0.23 0.00 -2.27 0.00 0.00 64.05 59.92 1wui n THR 56 Cb 0.51 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.68 1wui n THR 56 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1wui s LEU 57 N -1.97 1.77 -0.02 3.22 2.96 -1.26 -5.04 118.68 118.33 1wui s LEU 57 Ca 0.27 -0.27 0.08 0.00 -0.22 0.00 0.00 54.13 53.99 1wui s LEU 57 Cb 0.20 -0.75 -0.02 0.00 0.50 0.00 0.00 46.19 46.12 1wui s LEU 57 CO 0.08 0.08 -0.26 0.12 -1.32 0.00 0.00 176.35 175.05 1wui s PHE 58 N 0.31 2.31 -0.06 5.38 5.36 -1.26 -4.85 117.98 125.17 1wui s PHE 58 Ca -0.07 -0.44 0.00 0.00 -0.96 0.00 0.00 56.93 55.46 1wui s PHE 58 Cb -0.12 -1.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.04 1wui s PHE 58 CO 0.02 -0.04 -0.05 0.54 -1.46 0.00 0.00 175.22 174.22 1wui n ARG 59 N 2.45 0.15 -1.81 10.12 1.74 -0.52 -5.09 116.66 123.71 1wui n ARG 59 Ca -0.16 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 56.96 1wui n ARG 59 Cb 0.51 -1.10 0.00 0.00 -1.02 0.00 0.00 32.46 30.85 1wui n ARG 59 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wui n GLY 60 N 3.19 0.96 0.30 -0.13 0.00 -0.89 -4.97 105.19 103.65 1wui n GLY 60 Ca -0.11 -0.51 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1wui n GLY 60 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1wui h LEU 61 N 0.00 0.38 -1.02 0.99 3.38 -1.91 -1.41 115.31 115.73 1wui h LEU 61 Ca 0.00 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.92 1wui h LEU 61 Cb 0.73 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 1wui h LEU 61 CO 0.00 0.28 0.20 -0.33 0.09 0.00 0.00 178.44 178.67 1wui h GLU 62 N 0.45 0.91 -0.27 1.13 5.08 -1.93 -1.51 114.58 118.43 1wui h GLU 62 Ca 0.13 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.29 1wui h GLU 62 Cb -0.01 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.09 1wui h GLU 62 CO -0.03 0.77 0.01 0.82 -1.00 0.00 0.00 179.01 179.59 1wui h ILE 63 N 0.88 1.25 -0.48 3.13 2.04 -1.60 -3.10 117.51 119.63 1wui h ILE 63 Ca 0.20 -0.88 -0.02 0.00 1.00 0.00 0.00 64.86 65.17 1wui h ILE 63 Cb 0.24 1.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.60 1wui h ILE 63 CO -0.01 0.28 0.23 0.40 0.00 0.00 0.00 178.15 179.05 1wui h ILE 64 N 0.26 1.16 0.00 -0.67 2.04 -1.13 -2.67 117.51 116.51 1wui h ILE 64 Ca 0.08 -0.46 -0.02 0.00 1.00 0.00 0.00 64.86 65.46 1wui h ILE 64 Cb 0.39 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.02 1wui h ILE 64 CO 0.01 0.19 -0.07 -0.07 0.00 0.00 0.00 178.15 178.21 1wui h LEU 65 N 0.68 0.00 -9.70 1.44 3.38 -1.20 -3.46 115.31 106.45 1wui h LEU 65 Ca 0.17 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.59 1wui h LEU 65 Cb 0.07 0.00 0.08 0.00 0.09 0.00 0.00 40.66 40.90 1wui h LEU 65 CO -0.02 0.07 0.83 1.17 0.09 0.00 0.00 178.44 180.58 1wui n LYS 66 N -3.19 2.51 -0.09 1.13 4.81 -1.01 -2.00 118.16 120.31 1wui n LYS 66 Ca 0.01 0.89 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1wui n LYS 66 Cb 0.37 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.76 1wui n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1wui n GLY 67 N 2.52 1.58 3.94 3.14 0.00 0.37 -4.98 105.19 111.76 1wui n GLY 67 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 1wui n GLY 67 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1wui s ARG 68 N -0.42 2.17 0.08 1.61 0.52 -0.85 -4.54 118.95 117.52 1wui s ARG 68 Ca 0.00 -0.40 -0.31 0.00 -0.52 0.00 0.00 55.73 54.50 1wui s ARG 68 Cb 0.00 -2.22 -0.08 0.00 0.52 0.00 0.00 34.95 33.17 1wui s ARG 68 CO 0.00 -1.20 1.54 0.34 0.02 0.00 0.00 175.30 176.00 1wui s ASP 69 N -4.53 6.69 0.54 0.23 -1.08 -1.26 -0.87 116.67 116.38 1wui s ASP 69 Ca 0.60 2.41 0.24 0.00 -0.52 0.00 0.00 52.55 55.29 1wui s ASP 69 Cb -0.10 -2.57 1.40 0.00 -1.46 0.00 0.00 42.92 40.19 1wui s ASP 69 CO 0.44 -0.80 2.02 -0.65 0.52 0.00 0.00 175.17 176.70 1wui h PRO 70 N 7.68 0.00 0.00 4.34 0.11 -1.90 0.62 132.00 142.84 1wui h PRO 70 Ca -0.42 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.69 1wui h PRO 70 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1wui h PRO 70 CO 0.91 0.00 -0.04 0.00 -0.21 0.00 0.00 178.00 178.66 1wui h ARG 71 N 0.00 0.00 0.00 1.05 3.08 -1.95 -2.54 114.38 114.02 1wui h ARG 71 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.25 1wui h ARG 71 Cb 0.84 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.89 1wui h ARG 71 CO -0.00 0.04 -0.20 -0.44 -1.07 0.00 0.00 179.97 178.30 1wui h ASP 72 N 0.00 0.00 -0.45 7.04 3.32 -1.25 -3.38 116.42 121.70 1wui h ASP 72 Ca -0.00 -0.03 0.07 0.00 0.02 0.00 0.00 57.03 57.09 1wui h ASP 72 Cb 0.20 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.69 1wui h ASP 72 CO 0.01 0.01 0.10 0.00 -1.72 0.00 0.00 179.24 177.64 1wui h ALA 73 N 2.25 0.51 -0.03 3.45 0.00 -1.50 -1.90 119.26 122.04 1wui h ALA 73 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 73 Cb 0.87 0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1wui h ALA 73 CO 0.00 -0.30 0.02 -0.56 0.00 0.00 0.00 179.25 178.41 1wui h GLN 74 N 0.24 0.00 -0.22 0.00 3.07 -1.79 0.18 115.11 116.59 1wui h GLN 74 Ca 0.22 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.77 1wui h GLN 74 Cb 0.28 0.00 0.01 0.00 0.08 0.00 0.00 27.48 27.84 1wui h GLN 74 CO -0.28 0.00 -0.62 0.45 0.09 0.00 0.00 178.83 178.47 1wui h HIS 75 N 0.00 1.04 0.09 0.06 3.86 -1.62 -1.45 115.15 117.12 1wui h HIS 75 Ca 0.01 -0.41 -0.00 0.00 -1.16 0.00 0.00 60.37 58.81 1wui h HIS 75 Cb 0.06 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1wui h HIS 75 CO 0.00 1.24 -0.04 0.74 0.86 0.00 0.00 177.93 180.72 1wui h PHE 76 N 0.55 -0.11 0.00 2.45 -1.00 -1.24 -3.32 116.94 114.27 1wui h PHE 76 Ca -0.02 -0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.72 1wui h PHE 76 Cb 1.24 0.04 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 1wui h PHE 76 CO 0.08 0.26 -0.17 1.79 -1.61 0.00 0.00 178.31 178.66 1wui h THR 77 N -0.49 0.46 -0.48 -1.55 1.35 -0.70 -1.73 112.91 109.76 1wui h THR 77 Ca -0.01 -0.94 0.04 0.00 -0.55 0.00 0.00 66.41 64.94 1wui h THR 77 Cb 0.41 1.67 -0.03 0.00 -1.73 0.00 0.00 68.15 68.48 1wui h THR 77 CO 0.02 0.17 0.32 -0.61 -0.25 0.00 0.00 175.52 175.17 1wui h GLN 78 N 0.00 0.49 0.00 4.72 4.15 -1.35 0.94 115.11 124.06 1wui h GLN 78 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1wui h GLN 78 Cb 0.66 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.24 1wui h GLN 78 CO 0.02 0.32 0.00 0.54 -1.93 0.00 0.00 178.83 177.79 1wui n ARG 79 N -4.48 0.78 -0.34 1.69 3.00 -0.65 -2.43 116.66 114.24 1wui n ARG 79 Ca 0.06 0.00 0.06 0.00 -0.01 0.00 0.00 57.85 57.96 1wui n ARG 79 Cb 0.17 -1.17 0.22 0.00 0.00 0.00 0.00 32.46 31.69 1wui n ARG 79 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.63 178.78 1wui h THR 80 N 0.00 0.91 -1.78 0.55 2.02 -0.88 -3.45 112.91 110.28 1wui h THR 80 Ca 0.00 -0.32 0.04 0.00 0.77 0.00 0.00 66.41 66.90 1wui h THR 80 Cb 0.00 -0.10 -0.24 0.00 -1.74 0.00 0.00 68.15 66.07 1wui h THR 80 CO 0.00 0.17 0.24 0.00 0.37 0.00 0.00 175.52 176.30 1wui n GLY 82 N 3.39 -0.12 0.53 0.00 0.00 -1.26 -3.35 105.19 104.38 1wui n GLY 82 Ca -0.17 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.25 1wui n GLY 82 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1wui n VAL 83 N -0.26 0.04 0.00 1.61 0.31 -1.26 -4.89 118.33 113.88 1wui n VAL 83 Ca 0.08 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 1wui n VAL 83 Cb 0.42 -0.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 1wui n VAL 83 CO 0.00 0.00 0.00 1.07 -1.32 0.00 0.00 176.83 176.58 1wui n THR 85 N 0.10 0.00 0.00 2.52 5.66 -1.21 -4.93 114.28 116.42 1wui n THR 85 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 1wui n THR 85 Cb 0.22 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 1wui n THR 85 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1wui n TYR 86 N -1.63 0.00 -0.32 1.09 -0.00 -1.26 -4.73 117.16 110.31 1wui n TYR 86 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 57.98 1wui n TYR 86 Cb 0.00 0.00 0.24 0.00 -0.00 0.00 0.00 39.34 39.58 1wui n TYR 86 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.86 178.65 1wui h THR 87 N 0.00 0.78 0.01 2.97 1.35 -1.94 0.32 112.91 116.40 1wui h THR 87 Ca 0.00 -0.25 -0.20 0.00 -0.55 0.00 0.00 66.41 65.40 1wui h THR 87 Cb 0.00 -0.03 -0.01 0.00 -1.73 0.00 0.00 68.15 66.38 1wui h THR 87 CO 0.00 0.14 -0.90 0.45 -0.25 0.00 0.00 175.52 174.95 1wui h HIS 88 N 0.74 0.33 -0.60 4.73 3.86 -1.85 -0.12 115.15 122.25 1wui h HIS 88 Ca 0.49 -0.19 0.03 0.00 -1.16 0.00 0.00 60.37 59.54 1wui h HIS 88 Cb 0.64 -0.04 -0.04 0.00 1.06 0.00 0.00 27.41 29.04 1wui h HIS 88 CO -0.05 1.01 0.36 0.00 0.86 0.00 0.00 177.93 180.11 1wui h ALA 89 N 0.93 0.78 -0.33 2.45 0.00 -1.37 -0.14 119.26 121.57 1wui h ALA 89 Ca -0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1wui h ALA 89 Cb 1.54 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.14 1wui h ALA 89 CO 0.14 0.09 0.15 1.25 0.00 0.00 0.00 179.25 180.88 1wui h LEU 90 N 0.71 0.45 -0.54 0.00 5.85 -0.82 -0.41 115.31 120.56 1wui h LEU 90 Ca 0.24 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.79 1wui h LEU 90 Cb 0.03 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 1wui h LEU 90 CO -0.11 0.47 0.22 0.00 -0.34 0.00 0.00 178.44 178.69 1wui h ALA 91 N 0.99 0.70 -0.58 1.25 0.00 -0.80 0.17 119.26 120.98 1wui h ALA 91 Ca 0.11 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 1wui h ALA 91 Cb 0.15 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wui h ALA 91 CO -0.01 0.31 0.01 0.77 0.00 0.00 0.00 179.25 180.33 1wui h SER 92 N 0.73 1.00 -0.45 0.00 0.02 -0.94 -0.09 113.55 113.83 1wui h SER 92 Ca 0.18 -0.30 -0.11 0.00 -0.84 0.00 0.00 61.79 60.72 1wui h SER 92 Cb 0.19 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1wui h SER 92 CO -0.02 1.06 -0.16 0.74 -1.14 0.00 0.00 176.83 177.31 1wui h THR 93 N 0.92 1.27 -0.91 -2.27 2.02 -0.85 0.52 112.91 113.62 1wui h THR 93 Ca 0.17 -1.30 0.03 0.00 0.77 0.00 0.00 66.41 66.08 1wui h THR 93 Cb 0.53 1.17 -0.05 0.00 -1.74 0.00 0.00 68.15 68.06 1wui h THR 93 CO 0.03 0.44 0.60 0.03 0.37 0.00 0.00 175.52 176.99 1wui h ARG 94 N 0.73 1.13 -0.06 6.66 3.08 -0.55 0.17 114.38 125.54 1wui h ARG 94 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 1wui h ARG 94 Cb 0.72 -0.25 -0.00 0.00 0.08 0.00 0.00 29.97 30.51 1wui h ARG 94 CO 0.05 0.75 0.02 0.00 -1.07 0.00 0.00 179.97 179.72 1wui h VAL 96 N -0.10 1.27 -0.56 0.00 2.07 -0.73 -0.55 116.25 117.65 1wui h VAL 96 Ca 0.02 -1.69 0.11 0.00 0.82 0.00 0.00 66.70 65.97 1wui h VAL 96 Cb 0.22 1.59 -0.10 0.00 -1.52 0.00 0.00 31.29 31.48 1wui h VAL 96 CO -0.00 0.55 -0.01 0.44 0.02 0.00 0.00 177.57 178.57 1wui h ASP 97 N 0.67 -0.27 -0.39 0.57 3.45 -0.63 -0.97 116.42 118.85 1wui h ASP 97 Ca 0.02 0.14 -0.03 0.00 0.43 0.00 0.00 57.03 57.59 1wui h ASP 97 Cb 1.11 0.25 -0.02 0.00 -0.56 0.00 0.00 39.33 40.12 1wui h ASP 97 CO 0.12 -0.10 0.13 -1.13 -1.57 0.00 0.00 179.24 176.68 1wui h ASN 98 N 0.11 0.57 -0.93 6.45 -0.73 -0.90 -0.90 115.58 119.24 1wui h ASN 98 Ca 0.29 -0.20 0.03 0.00 1.87 0.00 0.00 56.30 58.29 1wui h ASN 98 Cb 0.45 -0.15 -0.05 0.00 0.27 0.00 0.00 38.32 38.84 1wui h ASN 98 CO -0.49 0.62 0.62 0.00 -0.37 0.00 0.00 177.43 177.81 1wui h ALA 99 N 0.97 1.38 -0.00 1.57 0.00 -0.45 -2.48 119.26 120.25 1wui h ALA 99 Ca 0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1wui h ALA 99 Cb 0.25 -0.35 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1wui h ALA 99 CO -0.00 0.54 -0.33 1.33 0.00 0.00 0.00 179.25 180.78 1wui n VAL 100 N -4.43 0.00 -1.55 0.00 0.24 -0.43 -4.74 118.33 107.42 1wui n VAL 100 Ca 0.12 -0.07 -0.06 0.00 -2.04 0.00 0.00 64.34 62.30 1wui n VAL 100 Cb 0.08 0.26 -0.02 0.00 -1.47 0.00 0.00 33.84 32.69 1wui n VAL 100 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1wui n GLY 101 N 1.41 0.54 3.81 7.63 0.00 -0.40 -4.74 105.19 113.43 1wui n GLY 101 Ca 0.09 -0.74 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 1wui n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wui s VAL 102 N -2.24 4.63 -0.38 1.61 0.11 -0.84 -5.03 120.40 118.26 1wui s VAL 102 Ca 0.00 1.31 -0.06 0.00 -2.93 0.00 0.00 61.98 60.29 1wui s VAL 102 Cb 0.00 -3.93 0.07 0.00 -1.53 0.00 0.00 36.38 30.99 1wui s VAL 102 CO 0.00 0.46 0.17 -1.00 -3.33 0.00 0.00 175.10 171.40 1wui s HIS 103 N -1.22 3.36 0.68 1.54 0.09 -1.26 -4.65 115.29 113.82 1wui s HIS 103 Ca 0.34 -1.73 -0.14 0.00 -0.00 0.00 0.00 55.06 53.53 1wui s HIS 103 Cb -0.19 -2.71 0.01 0.00 -0.00 0.00 0.00 32.58 29.68 1wui s HIS 103 CO 0.21 -0.84 1.09 0.96 -0.00 0.00 0.00 174.74 176.16 1wui s ILE 104 N 1.34 3.49 0.73 0.60 -4.36 -1.26 -4.88 121.20 116.86 1wui s ILE 104 Ca 0.02 0.62 -0.15 0.00 -0.26 0.00 0.00 60.65 60.88 1wui s ILE 104 Cb -0.22 -3.16 0.04 0.00 1.25 0.00 0.00 42.46 40.37 1wui s ILE 104 CO 0.01 -0.51 1.19 -2.84 0.24 0.00 0.00 174.94 173.03 1wui s PRO 105 N -4.41 2.21 0.26 0.37 0.02 -1.26 -4.82 135.00 127.36 1wui s PRO 105 Ca 0.64 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 63.32 1wui s PRO 105 Cb -0.18 -1.85 0.51 0.00 0.02 0.00 0.00 34.50 33.01 1wui s PRO 105 CO 0.46 -1.77 1.74 0.87 -0.33 0.00 0.00 177.00 177.97 1wui h LYS 106 N -0.31 0.51 -0.28 5.54 1.57 -1.93 -0.49 116.57 121.17 1wui h LYS 106 Ca -0.47 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.22 1wui h LYS 106 Cb 1.29 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 33.47 1wui h LYS 106 CO 0.50 0.33 -0.09 -0.91 -0.57 0.00 0.00 179.45 178.71 1wui h ASN 107 N 0.52 0.43 -0.64 0.86 2.35 -1.91 -0.70 115.58 116.49 1wui h ASN 107 Ca 0.45 -0.10 -0.06 0.00 -0.55 0.00 0.00 56.30 56.04 1wui h ASN 107 Cb 0.68 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.90 1wui h ASN 107 CO -0.40 0.57 0.16 0.00 -1.65 0.00 0.00 177.43 176.11 1wui h ALA 108 N 1.48 1.04 -0.24 -0.83 0.00 -1.30 0.51 119.26 119.92 1wui h ALA 108 Ca 0.08 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 1wui h ALA 108 Cb 0.43 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1wui h ALA 108 CO 0.02 0.63 0.13 1.15 0.00 0.00 0.00 179.25 181.19 1wui h THR 109 N 0.99 1.11 -0.10 0.00 2.02 -0.93 -0.49 112.91 115.52 1wui h THR 109 Ca 0.21 -0.29 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1wui h THR 109 Cb 0.35 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.62 1wui h THR 109 CO 0.00 0.11 0.05 1.88 0.37 0.00 0.00 175.52 177.93 1wui h TYR 110 N 0.28 0.09 -0.42 3.16 0.99 -0.88 0.08 116.97 120.27 1wui h TYR 110 Ca 0.08 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 60.79 1wui h TYR 110 Cb 0.06 -0.03 -0.02 0.00 1.00 0.00 0.00 36.73 37.74 1wui h TYR 110 CO -0.04 0.05 0.16 0.82 -0.00 0.00 0.00 178.16 179.15 1wui h ILE 111 N 0.11 1.21 -0.81 -2.88 2.04 -0.79 0.73 117.51 117.12 1wui h ILE 111 Ca 0.04 -0.65 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1wui h ILE 111 Cb 0.00 0.84 -0.04 0.00 -0.74 0.00 0.00 36.82 36.89 1wui h ILE 111 CO -0.03 0.24 0.50 0.03 0.00 0.00 0.00 178.15 178.89 1wui h ARG 112 N 0.54 1.09 -0.61 2.37 3.08 -0.98 -1.33 114.38 118.53 1wui h ARG 112 Ca 0.14 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 60.01 1wui h ARG 112 Cb 0.22 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1wui h ARG 112 CO -0.01 0.75 0.03 -0.91 -1.07 0.00 0.00 179.97 178.76 1wui h ASN 113 N 1.10 1.03 -0.47 7.04 -0.26 -0.59 -1.80 115.58 121.64 1wui h ASN 113 Ca 0.29 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 1wui h ASN 113 Cb -0.07 -0.28 -0.02 0.00 -1.06 0.00 0.00 38.32 36.90 1wui h ASN 113 CO -0.06 1.07 0.07 -0.07 -1.06 0.00 0.00 177.43 177.38 1wui h LEU 114 N 0.96 0.76 -1.00 1.61 3.38 -0.51 0.37 115.31 120.89 1wui h LEU 114 Ca 0.18 -0.27 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 1wui h LEU 114 Cb 0.53 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 1wui h LEU 114 CO 0.03 0.84 0.21 0.58 0.09 0.00 0.00 178.44 180.19 1wui h VAL 115 N 0.66 1.23 -0.44 1.22 2.07 -1.19 -1.03 116.25 118.78 1wui h VAL 115 Ca 0.14 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1wui h VAL 115 Cb 0.41 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 1wui h VAL 115 CO 0.01 0.30 -0.11 0.25 0.02 0.00 0.00 177.57 178.04 1wui h LEU 116 N 0.91 0.86 -0.62 2.57 5.85 -1.00 -1.07 115.31 122.81 1wui h LEU 116 Ca 0.21 -0.36 0.03 0.00 0.84 0.00 0.00 57.88 58.60 1wui h LEU 116 Cb 0.23 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 1wui h LEU 116 CO -0.01 1.02 0.37 1.23 -0.34 0.00 0.00 178.44 180.71 1wui h GLY 117 N 0.68 0.89 1.00 3.75 0.00 -0.64 -1.57 103.07 107.17 1wui h GLY 117 Ca 0.11 -0.28 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1wui h GLY 117 CO 0.04 0.22 0.66 0.00 0.00 0.00 0.00 176.54 177.46 1wui h ALA 118 N 1.28 1.31 -0.54 3.60 0.00 -0.97 -2.44 119.26 121.49 1wui h ALA 118 Ca 0.25 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.13 1wui h ALA 118 Cb 0.05 -0.39 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1wui h ALA 118 CO -0.12 0.63 0.32 0.37 0.00 0.00 0.00 179.25 180.45 1wui h GLN 119 N 1.32 0.61 -0.65 0.00 5.75 -0.52 -1.92 115.11 119.71 1wui h GLN 119 Ca 0.37 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.92 1wui h GLN 119 Cb -0.12 -0.14 -0.07 0.00 1.07 0.00 0.00 27.48 28.22 1wui h GLN 119 CO -0.09 0.41 0.28 1.88 -2.65 0.00 0.00 178.83 178.66 1wui h TYR 120 N 0.63 0.50 -0.19 3.99 -1.99 -0.85 -0.45 116.97 118.62 1wui h TYR 120 Ca 0.22 0.03 -0.04 0.00 2.00 0.00 0.00 58.73 60.94 1wui h TYR 120 Cb 0.04 -0.13 -0.01 0.00 2.00 0.00 0.00 36.73 38.64 1wui h TYR 120 CO -0.07 0.16 -0.04 -0.07 -0.00 0.00 0.00 178.16 178.14 1wui h LEU 121 N 0.50 0.37 -0.12 3.88 3.38 -1.09 -1.11 115.31 121.12 1wui h LEU 121 Ca 0.32 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.95 1wui h LEU 121 Cb 0.36 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1wui h LEU 121 CO -0.28 0.65 -0.03 -0.74 0.09 0.00 0.00 178.44 178.13 1wui h HIS 122 N 0.09 -0.07 0.32 1.13 2.76 -1.16 -2.20 115.15 116.03 1wui h HIS 122 Ca 0.05 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.21 1wui h HIS 122 Cb 0.49 0.05 0.00 0.00 1.55 0.00 0.00 27.41 29.50 1wui h HIS 122 CO 0.05 -0.05 -0.15 0.22 -1.30 0.00 0.00 177.93 176.69 1wui h ASP 123 N -0.00 -0.37 -0.28 3.26 1.82 -0.99 -2.03 116.42 117.84 1wui h ASP 123 Ca 0.06 -0.05 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 1wui h ASP 123 Cb 0.09 0.09 -0.02 0.00 0.68 0.00 0.00 39.33 40.18 1wui h ASP 123 CO -0.12 -0.18 -0.13 0.45 -1.61 0.00 0.00 179.24 177.65 1wui h HIS 124 N -0.54 0.77 -0.06 0.28 3.86 -1.21 0.69 115.15 118.94 1wui h HIS 124 Ca -0.04 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.02 1wui h HIS 124 Cb 0.40 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 28.67 1wui h HIS 124 CO -0.03 0.80 0.04 0.82 0.86 0.00 0.00 177.93 180.42 1wui h ILE 125 N 0.64 1.04 -0.77 2.45 2.04 -1.30 -1.30 117.51 120.30 1wui h ILE 125 Ca 0.11 -0.09 -0.03 0.00 1.00 0.00 0.00 64.86 65.85 1wui h ILE 125 Cb 0.59 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.62 1wui h ILE 125 CO 0.04 0.03 0.38 0.58 0.00 0.00 0.00 178.15 179.18 1wui h VAL 126 N 0.06 1.24 0.26 1.67 2.07 -1.18 -2.40 116.25 117.97 1wui h VAL 126 Ca 0.02 -0.66 -0.01 0.00 0.82 0.00 0.00 66.70 66.87 1wui h VAL 126 Cb 0.02 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1wui h VAL 126 CO -0.00 0.28 -0.12 -0.74 0.02 0.00 0.00 177.57 177.01 1wui h HIS 127 N 1.10 -0.32 0.08 1.57 -0.00 -0.59 0.21 115.15 117.18 1wui h HIS 127 Ca 0.27 -0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 1wui h HIS 127 Cb 0.10 0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 1wui h HIS 127 CO 0.01 -0.18 -0.11 0.35 -0.00 0.00 0.00 177.93 178.00 1wui h PHE 128 N -0.37 -0.28 0.07 5.26 3.04 -1.10 0.22 116.94 123.78 1wui h PHE 128 Ca -0.04 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.91 1wui h PHE 128 Cb 0.28 0.12 0.00 0.00 2.56 0.00 0.00 35.95 38.91 1wui h PHE 128 CO -0.05 -0.17 -0.03 1.88 -2.02 0.00 0.00 178.31 177.91 1wui h TYR 129 N -0.23 -0.09 0.00 0.41 0.05 -1.42 -0.03 116.97 115.66 1wui h TYR 129 Ca 0.02 -0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1wui h TYR 129 Cb 0.24 0.03 -0.00 0.00 1.01 0.00 0.00 36.73 38.00 1wui h TYR 129 CO -0.14 0.40 -1.13 0.72 -1.05 0.00 0.00 178.16 176.97 1wui n HIS 130 N -4.79 0.90 -0.09 4.88 8.25 0.70 -3.53 115.22 121.54 1wui n HIS 130 Ca -0.06 0.26 -0.16 0.00 -0.26 0.00 0.00 57.72 57.50 1wui n HIS 130 Cb 0.26 -0.94 -0.07 0.00 1.12 0.00 0.00 29.99 30.36 1wui n HIS 130 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1wui n LEU 131 N -2.67 2.12 -0.00 2.41 4.77 -0.88 -4.85 117.00 117.90 1wui n LEU 131 Ca -0.01 0.08 -0.21 0.00 -0.03 0.00 0.00 56.01 55.83 1wui n LEU 131 Cb 0.58 -0.59 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 1wui n LEU 131 CO 0.41 0.59 -0.83 1.57 -1.33 0.00 0.00 177.39 177.80 1wui n HIS 132 N -3.45 1.21 0.24 -1.77 -0.00 0.72 -4.56 115.22 107.61 1wui n HIS 132 Ca -0.34 0.26 0.08 0.00 0.46 0.00 0.00 57.72 58.17 1wui n HIS 132 Cb 0.80 -1.16 0.58 0.00 -0.12 0.00 0.00 29.99 30.09 1wui n HIS 132 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1wui h ALA 133 N 0.05 1.54 0.00 1.57 0.00 -1.04 -0.84 119.26 120.55 1wui h ALA 133 Ca -0.43 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.33 1wui h ALA 133 Cb 2.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.78 1wui h ALA 133 CO 0.07 0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.82 1wui n LEU 134 N -4.08 0.00 0.13 0.00 4.77 -1.26 -0.61 117.00 115.95 1wui n LEU 134 Ca -0.02 0.45 0.13 0.00 -0.03 0.00 0.00 56.01 56.53 1wui n LEU 134 Cb 0.25 -0.45 0.46 0.00 -2.33 0.00 0.00 43.42 41.35 1wui n LEU 134 CO 0.34 -0.28 0.88 0.44 -1.33 0.00 0.00 177.39 177.44 1wui h ASP 135 N 0.00 0.00 0.00 -1.43 3.32 -1.44 -3.38 116.42 113.49 1wui h ASP 135 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1wui h ASP 135 Cb 0.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1wui h ASP 135 CO 0.00 0.00 -0.28 2.22 -1.72 0.00 0.00 179.24 179.46 1wui n PHE 136 N -2.33 0.00 -4.43 4.55 1.16 0.22 -4.95 117.46 111.69 1wui n PHE 136 Ca 0.03 0.00 -0.34 0.00 -1.87 0.00 0.00 57.45 55.28 1wui n PHE 136 Cb 0.32 0.00 -0.14 0.00 -1.61 0.00 0.00 39.48 38.05 1wui n PHE 136 CO 0.00 0.00 0.00 0.08 -1.87 0.00 0.00 176.76 174.97 1wui s VAL 137 N -0.85 3.26 -0.73 1.97 1.01 0.05 -4.57 120.40 120.53 1wui s VAL 137 Ca 0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 61.98 61.23 1wui s VAL 137 Cb 0.00 -2.42 0.12 0.00 0.00 0.00 0.00 36.38 34.09 1wui s VAL 137 CO 0.00 0.49 0.88 -0.62 0.00 0.00 0.00 175.10 175.85 1wui s ASP 138 N 0.71 6.39 0.26 3.32 -1.08 -1.26 -4.64 116.67 120.37 1wui s ASP 138 Ca -0.04 -1.72 -0.04 0.00 -0.52 0.00 0.00 52.55 50.22 1wui s ASP 138 Cb -0.15 -2.33 0.31 0.00 -1.46 0.00 0.00 42.92 39.28 1wui s ASP 138 CO 0.02 -1.07 1.84 0.58 0.52 0.00 0.00 175.17 177.06 1wui h VAL 139 N 5.74 1.24 0.00 1.11 2.07 -1.96 -2.55 116.25 121.91 1wui h VAL 139 Ca -0.11 -0.72 -0.09 0.00 0.82 0.00 0.00 66.70 66.61 1wui h VAL 139 Cb 1.06 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1wui h VAL 139 CO 1.07 0.30 -0.42 0.71 0.02 0.00 0.00 177.57 179.25 1wui h THR 140 N 1.04 1.21 0.00 2.57 1.35 -1.96 -2.40 112.91 114.73 1wui h THR 140 Ca 0.25 -1.47 -0.01 0.00 -0.55 0.00 0.00 66.41 64.64 1wui h THR 140 Cb 0.16 1.81 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1wui h THR 140 CO -0.03 0.41 -0.03 0.00 -0.25 0.00 0.00 175.52 175.62 1wui h ALA 141 N 1.58 1.04 0.00 6.62 0.00 -1.85 -2.12 119.26 124.54 1wui h ALA 141 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1wui h ALA 141 Cb 0.78 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.56 1wui h ALA 141 CO 0.05 0.03 -0.00 0.00 0.00 0.00 0.00 179.25 179.33 1wui h ALA 142 N 1.97 1.42 0.00 0.00 0.00 -1.42 -2.01 119.26 119.23 1wui h ALA 142 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1wui h ALA 142 Cb 0.32 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1wui h ALA 142 CO 0.00 0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 179.07 1wui h LEU 143 N 0.00 0.00 -0.36 0.00 3.38 -1.53 -2.63 115.31 114.17 1wui h LEU 143 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1wui h LEU 143 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1wui h LEU 143 CO 0.00 0.12 -0.26 0.29 0.09 0.00 0.00 178.44 178.68 1wui n LYS 144 N -3.60 0.66 -2.37 1.13 5.02 -0.75 -4.97 118.16 113.28 1wui n LYS 144 Ca -0.02 -0.36 -0.33 0.00 -2.02 0.00 0.00 58.31 55.58 1wui n LYS 144 Cb 0.25 -1.49 -0.02 0.00 -0.02 0.00 0.00 35.03 33.75 1wui n LYS 144 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1wui s ALA 145 N -2.58 2.84 -0.48 7.82 0.00 -0.99 -4.95 121.76 123.41 1wui s ALA 145 Ca 0.23 0.51 -0.25 0.00 0.00 0.00 0.00 51.96 52.44 1wui s ALA 145 Cb 0.19 -3.24 0.03 0.00 0.00 0.00 0.00 23.12 20.10 1wui s ALA 145 CO 0.54 -0.47 0.94 0.34 0.00 0.00 0.00 175.76 177.11 1wui s ASP 146 N -2.32 6.48 0.44 0.00 -1.08 -1.26 -4.95 116.67 113.98 1wui s ASP 146 Ca 0.65 0.07 0.19 0.00 -0.52 0.00 0.00 52.55 52.94 1wui s ASP 146 Cb -0.16 -2.46 1.03 0.00 -1.46 0.00 0.00 42.92 39.88 1wui s ASP 146 CO 0.26 -1.10 1.94 1.55 0.52 0.00 0.00 175.17 178.35 1wui h PRO 147 N 9.13 0.00 -0.29 4.34 0.13 -1.94 -0.59 132.00 142.78 1wui h PRO 147 Ca -0.24 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.79 1wui h PRO 147 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 1wui h PRO 147 CO 1.04 0.24 -0.19 0.00 -0.23 0.00 0.00 178.00 178.86 1wui h ALA 148 N 1.76 0.42 -0.44 -0.56 0.00 -1.92 -0.32 119.26 118.19 1wui h ALA 148 Ca -0.00 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 1wui h ALA 148 Cb 0.49 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1wui h ALA 148 CO 0.03 0.35 0.20 0.87 0.00 0.00 0.00 179.25 180.70 1wui h LYS 149 N 0.39 0.65 -0.88 0.00 1.79 -1.90 -2.34 116.57 114.28 1wui h LYS 149 Ca 0.06 -0.11 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1wui h LYS 149 Cb 0.74 -0.11 -0.04 0.00 -1.58 0.00 0.00 32.23 31.23 1wui h LYS 149 CO 0.05 0.57 0.56 0.00 -1.08 0.00 0.00 179.45 179.55 1wui h ALA 150 N 1.04 1.32 -0.58 3.86 0.00 -0.99 -1.84 119.26 122.07 1wui h ALA 150 Ca 0.15 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1wui h ALA 150 Cb 0.15 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1wui h ALA 150 CO -0.02 0.61 0.08 0.00 0.00 0.00 0.00 179.25 179.92 1wui h ALA 151 N 1.40 1.04 -0.54 0.00 0.00 -0.82 -0.08 119.26 120.27 1wui h ALA 151 Ca 0.32 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1wui h ALA 151 Cb -0.09 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 1wui h ALA 151 CO -0.06 0.61 0.26 -0.22 0.00 0.00 0.00 179.25 179.84 1wui h LYS 152 N 0.89 0.78 -0.28 0.00 3.64 -0.98 0.60 116.57 121.22 1wui h LYS 152 Ca 0.18 -0.12 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1wui h LYS 152 Cb 0.41 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1wui h LYS 152 CO 0.01 0.64 0.11 0.28 -2.27 0.00 0.00 179.45 178.23 1wui h VAL 153 N 0.73 1.17 -0.90 2.00 2.07 -1.01 -1.52 116.25 118.80 1wui h VAL 153 Ca 0.19 -0.53 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1wui h VAL 153 Cb 0.12 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.86 1wui h VAL 153 CO -0.02 0.18 0.58 0.00 0.02 0.00 0.00 177.57 178.33 1wui h ALA 154 N 0.96 1.33 0.00 1.67 0.00 -0.75 -1.36 119.26 121.11 1wui h ALA 154 Ca 0.09 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wui h ALA 154 Cb 0.18 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wui h ALA 154 CO -0.01 0.61 0.00 0.77 0.00 0.00 0.00 179.25 180.62 1wui h SER 155 N 1.23 0.00 1.87 0.00 0.02 -0.67 -3.03 113.55 112.96 1wui h SER 155 Ca 0.33 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 1wui h SER 155 Cb -0.12 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.42 1wui h SER 155 CO -0.07 0.00 -0.14 0.77 -1.14 0.00 0.00 176.83 176.26 1wui h SER 156 N 0.00 0.00 -0.01 3.07 4.64 -0.19 -3.34 113.55 117.73 1wui h SER 156 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wui h SER 156 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1wui h SER 156 CO 0.00 0.07 -0.71 2.30 -0.87 0.00 0.00 176.83 177.62 1wui n ILE 157 N -3.09 0.00 -3.99 0.95 -5.35 -1.06 -4.98 119.36 101.84 1wui n ILE 157 Ca 0.03 -0.14 -0.10 0.00 -0.27 0.00 0.00 62.75 62.28 1wui n ILE 157 Cb 0.56 1.09 -0.11 0.00 -1.74 0.00 0.00 39.64 39.44 1wui n ILE 157 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 1wui s SER 158 N -2.59 0.33 0.47 7.28 0.15 -1.18 -4.74 113.70 113.41 1wui s SER 158 Ca 0.11 -0.50 0.27 0.00 0.70 0.00 0.00 55.95 56.52 1wui s SER 158 Cb 0.15 0.09 1.06 0.00 -1.71 0.00 0.00 66.02 65.61 1wui s SER 158 CO 0.68 -0.28 1.88 1.55 1.20 0.00 0.00 173.24 178.26 1wui h PRO 159 N 4.64 0.00 -6.36 5.44 0.13 -1.85 -3.43 132.00 130.57 1wui h PRO 159 Ca -0.32 0.00 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 1wui h PRO 159 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.36 1wui h PRO 159 CO 0.41 0.16 1.20 -2.13 -0.23 0.00 0.00 178.00 177.40 1wui n ARG 160 N -3.32 2.74 -3.20 0.86 0.63 -1.26 -4.99 116.66 108.12 1wui n ARG 160 Ca 0.00 1.00 -0.39 0.00 -0.92 0.00 0.00 57.85 57.55 1wui n ARG 160 Cb 0.39 -2.93 -0.06 0.00 0.45 0.00 0.00 32.46 30.31 1wui n ARG 160 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1wui s LYS 161 N 4.19 4.33 -0.05 -0.14 1.02 -1.26 -4.55 119.74 123.28 1wui s LYS 161 Ca 0.89 0.73 0.06 0.00 0.02 0.00 0.00 55.97 57.66 1wui s LYS 161 Cb -0.49 -3.36 -0.01 0.00 -0.52 0.00 0.00 37.83 33.46 1wui s LYS 161 CO 0.43 0.33 -0.23 0.99 -0.92 0.00 0.00 175.35 175.95 1wui s THR 162 N -0.06 1.91 0.37 2.17 2.01 -1.26 -5.03 115.64 115.74 1wui s THR 162 Ca 0.31 -0.99 0.08 0.00 0.31 0.00 0.00 61.69 61.39 1wui s THR 162 Cb -0.18 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.69 1wui s THR 162 CO 0.17 0.53 0.30 0.42 -0.69 0.00 0.00 174.62 175.36 1wui s THR 163 N -0.20 3.15 0.25 -0.82 -4.23 -1.26 -4.60 115.64 107.93 1wui s THR 163 Ca -0.01 -1.40 -0.04 0.00 -1.18 0.00 0.00 61.69 59.06 1wui s THR 163 Cb -0.12 -3.09 0.23 0.00 1.34 0.00 0.00 72.50 70.85 1wui s THR 163 CO 0.03 -0.11 1.84 0.00 -0.54 0.00 0.00 174.62 175.84 1wui h ALA 164 N 1.21 1.24 -0.35 3.99 0.00 -1.87 -2.11 119.26 121.37 1wui h ALA 164 Ca -0.43 0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.40 1wui h ALA 164 Cb 1.26 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1wui h ALA 164 CO 0.59 0.24 -0.13 0.00 0.00 0.00 0.00 179.25 179.95 1wui h ALA 165 N 1.44 1.13 -0.30 0.00 0.00 -1.95 0.13 119.26 119.70 1wui h ALA 165 Ca 0.40 -0.30 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1wui h ALA 165 Cb 0.26 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.87 1wui h ALA 165 CO -0.20 0.55 0.13 -0.44 0.00 0.00 0.00 179.25 179.28 1wui h ASP 166 N 0.55 0.17 1.10 0.00 3.32 -1.80 -1.72 116.42 118.05 1wui h ASP 166 Ca 0.10 0.02 -0.18 0.00 0.02 0.00 0.00 57.03 56.99 1wui h ASP 166 Cb 0.55 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.06 1wui h ASP 166 CO 0.03 0.14 -0.84 -0.07 -1.72 0.00 0.00 179.24 176.78 1wui h LEU 167 N 0.28 0.00 -1.19 1.55 3.38 -1.07 -3.10 115.31 115.16 1wui h LEU 167 Ca 0.13 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.06 1wui h LEU 167 Cb 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1wui h LEU 167 CO -0.11 0.84 0.13 0.50 0.09 0.00 0.00 178.44 179.89 1wui h LYS 168 N 0.00 0.69 -0.93 1.13 3.64 -0.56 -1.29 116.57 119.26 1wui h LYS 168 Ca -0.01 -0.12 0.01 0.00 -1.27 0.00 0.00 60.65 59.26 1wui h LYS 168 Cb 1.61 -0.11 -0.05 0.00 -0.41 0.00 0.00 32.23 33.27 1wui h LYS 168 CO 0.11 0.62 0.60 0.00 -2.27 0.00 0.00 179.45 178.51 1wui h ALA 169 N 1.47 1.18 -0.31 5.00 0.00 -1.24 0.20 119.26 125.56 1wui h ALA 169 Ca 0.16 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1wui h ALA 169 Cb 0.23 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1wui h ALA 169 CO -0.01 0.59 0.10 0.28 0.00 0.00 0.00 179.25 180.21 1wui h VAL 170 N 1.26 1.20 -0.67 0.00 2.07 -1.45 -2.38 116.25 116.27 1wui h VAL 170 Ca 0.34 -0.65 0.02 0.00 0.82 0.00 0.00 66.70 67.23 1wui h VAL 170 Cb -0.13 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.65 1wui h VAL 170 CO -0.07 0.22 0.42 -0.61 0.02 0.00 0.00 177.57 177.55 1wui h GLN 171 N 0.35 0.82 -0.80 1.57 4.15 -0.67 0.08 115.11 120.60 1wui h GLN 171 Ca 0.10 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 1wui h GLN 171 Cb 0.24 -0.18 -0.04 0.00 0.21 0.00 0.00 27.48 27.71 1wui h GLN 171 CO -0.00 0.54 0.40 -0.44 -1.93 0.00 0.00 178.83 177.40 1wui h ASP 172 N 0.84 1.03 -0.34 -0.69 3.45 -0.54 0.21 116.42 120.38 1wui h ASP 172 Ca 0.27 -0.12 -0.07 0.00 0.43 0.00 0.00 57.03 57.54 1wui h ASP 172 Cb -0.01 -0.26 -0.01 0.00 -0.56 0.00 0.00 39.33 38.49 1wui h ASP 172 CO -0.10 0.86 -0.05 0.50 -1.57 0.00 0.00 179.24 178.88 1wui h LYS 173 N 1.12 0.63 -0.77 3.56 1.63 -1.01 -1.89 116.57 119.84 1wui h LYS 173 Ca 0.28 -0.23 -0.03 0.00 -0.85 0.00 0.00 60.65 59.82 1wui h LYS 173 Cb 0.09 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.64 1wui h LYS 173 CO -0.04 0.79 0.36 1.25 -3.45 0.00 0.00 179.45 178.35 1wui h LEU 174 N 0.42 1.02 -0.48 5.20 5.85 -0.67 -2.06 115.31 124.58 1wui h LEU 174 Ca 0.09 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 1wui h LEU 174 Cb 0.54 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 1wui h LEU 174 CO 0.03 0.87 0.13 0.50 -0.34 0.00 0.00 178.44 179.63 1wui h LYS 175 N 1.11 0.76 -0.75 1.25 3.64 -0.36 0.97 116.57 123.20 1wui h LYS 175 Ca 0.27 -0.18 0.03 0.00 -1.27 0.00 0.00 60.65 59.50 1wui h LYS 175 Cb 0.13 -0.10 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 1wui h LYS 175 CO -0.03 0.74 0.48 1.15 -2.27 0.00 0.00 179.45 179.51 1wui h THR 176 N 0.65 1.12 0.41 1.00 2.02 -1.12 0.06 112.91 117.06 1wui h THR 176 Ca 0.15 -0.32 -0.02 0.00 0.77 0.00 0.00 66.41 66.99 1wui h THR 176 Cb 0.30 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 1wui h THR 176 CO -0.00 0.17 -0.20 0.15 0.37 0.00 0.00 175.52 176.01 1wui h PHE 177 N 0.93 -0.51 -0.79 3.16 3.04 -0.99 -2.64 116.94 119.14 1wui h PHE 177 Ca 0.30 -0.01 -0.04 0.00 3.98 0.00 0.00 57.97 62.19 1wui h PHE 177 Cb -0.00 0.17 -0.04 0.00 2.56 0.00 0.00 35.95 38.64 1wui h PHE 177 CO -0.03 -0.28 0.34 0.28 -2.02 0.00 0.00 178.31 176.59 1wui h VAL 178 N -0.61 1.25 0.00 1.41 2.07 -0.56 -2.32 116.25 117.48 1wui h VAL 178 Ca -0.06 -0.76 0.00 0.00 0.82 0.00 0.00 66.70 66.70 1wui h VAL 178 Cb 0.46 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.51 1wui h VAL 178 CO 0.09 0.32 0.00 -0.33 0.02 0.00 0.00 177.57 177.67 1wui h GLU 179 N 1.13 0.00 0.00 1.57 5.08 -0.95 -1.19 114.58 120.22 1wui h GLU 179 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 1wui h GLU 179 Cb 0.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1wui h GLU 179 CO -0.03 0.00 0.00 1.79 -1.00 0.00 0.00 179.01 179.77 1wui h THR 180 N 0.00 0.00 0.00 1.13 1.35 -1.04 -3.47 112.91 110.89 1wui h THR 180 Ca 0.00 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 1wui h THR 180 Cb 0.30 1.36 0.00 0.00 -1.73 0.00 0.00 68.15 68.08 1wui h THR 180 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1wui n GLY 181 N 0.46 1.15 3.39 5.82 0.00 -0.45 -4.95 105.19 110.61 1wui n GLY 181 Ca 0.03 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.60 1wui n GLY 181 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1wui s GLN 182 N -0.19 3.87 0.03 1.61 -0.21 -1.26 -4.88 119.66 118.62 1wui s GLN 182 Ca 0.00 -2.52 0.25 0.00 0.02 0.00 0.00 55.36 53.12 1wui s GLN 182 Cb 0.00 -4.72 1.05 0.00 1.00 0.00 0.00 33.01 30.33 1wui s GLN 182 CO 0.00 -1.50 1.80 1.28 -2.12 0.00 0.00 175.29 174.75 1wui n LEU 183 N 4.64 0.10 0.00 2.90 4.77 -1.26 -4.84 117.00 123.32 1wui n LEU 183 Ca 0.24 0.51 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 1wui n LEU 183 Cb 0.45 -0.49 0.00 0.00 -2.33 0.00 0.00 43.42 41.05 1wui n LEU 183 CO 0.47 -0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1wui n GLY 184 N 1.09 3.69 0.03 -0.72 0.00 -1.26 -0.73 105.19 107.28 1wui n GLY 184 Ca 0.06 0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1wui n GLY 184 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1wui n PRO 185 N 14.00 0.03 -0.13 1.61 -0.02 -1.26 -1.70 135.00 147.53 1wui n PRO 185 Ca 0.00 0.45 0.12 0.00 -2.02 0.00 0.00 63.50 62.05 1wui n PRO 185 Cb 0.00 -1.58 0.22 0.00 -0.02 0.00 0.00 33.50 32.12 1wui n PRO 185 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1wui n PHE 186 N -1.63 0.34 -1.70 6.00 3.72 0.09 -4.91 117.46 119.37 1wui n PHE 186 Ca 0.01 -0.17 -0.43 0.00 -0.05 0.00 0.00 57.45 56.81 1wui n PHE 186 Cb 0.06 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.57 1wui n PHE 186 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 1wui n THR 187 N 1.29 0.11 -2.21 4.37 -1.04 -0.69 -1.91 114.28 114.21 1wui n THR 187 Ca 0.18 -0.02 -0.19 0.00 -2.04 0.00 0.00 64.05 61.98 1wui n THR 187 Cb 0.57 -1.90 -0.03 0.00 -1.82 0.00 0.00 70.33 67.15 1wui n THR 187 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1wui n ASN 188 N 4.32 -5.39 -4.71 8.00 5.03 -1.26 -4.94 115.26 116.30 1wui n ASN 188 Ca 0.17 0.13 -0.37 0.00 0.87 0.00 0.00 54.58 55.38 1wui n ASN 188 Cb 0.34 -4.57 0.07 0.00 -1.02 0.00 0.00 39.78 34.59 1wui n ASN 188 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1wui n ALA 189 N -1.31 1.06 0.28 5.41 0.00 -0.80 -4.86 120.51 120.29 1wui n ALA 189 Ca -0.22 0.01 0.15 0.00 0.00 0.00 0.00 53.44 53.39 1wui n ALA 189 Cb 0.66 -2.30 0.83 0.00 0.00 0.00 0.00 19.45 18.64 1wui n ALA 189 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1wui h TYR 190 N 0.60 0.00 0.00 0.00 0.99 -1.92 -2.05 116.97 114.59 1wui h TYR 190 Ca -0.51 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.22 1wui h TYR 190 Cb 1.34 0.00 0.00 0.00 1.00 0.00 0.00 36.73 39.07 1wui h TYR 190 CO 0.41 0.07 -0.27 1.97 -0.00 0.00 0.00 178.16 180.34 1wui n PHE 191 N -3.49 0.25 -1.81 4.88 1.16 -1.26 -4.66 117.46 112.54 1wui n PHE 191 Ca -0.02 0.07 -0.42 0.00 -1.87 0.00 0.00 57.45 55.21 1wui n PHE 191 Cb 0.20 -0.52 -0.03 0.00 -1.61 0.00 0.00 39.48 37.52 1wui n PHE 191 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1wui s LEU 192 N -3.47 4.37 0.00 5.98 1.43 -0.77 -0.91 118.68 125.31 1wui s LEU 192 Ca 0.11 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 55.98 1wui s LEU 192 Cb 0.16 -3.60 0.00 0.00 0.03 0.00 0.00 46.19 42.79 1wui s LEU 192 CO 0.63 -0.92 0.00 0.61 0.23 0.00 0.00 176.35 176.90 1wui n GLY 193 N 3.91 1.70 0.00 -3.19 0.00 -1.26 -4.82 105.19 101.53 1wui n GLY 193 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 1wui n GLY 193 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wui n GLY 194 N -2.00 0.81 3.45 -0.02 0.00 -0.09 -5.10 105.19 102.24 1wui n GLY 194 Ca 0.00 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.22 1wui n GLY 194 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1wui s HIS 195 N -2.78 -0.75 0.51 1.61 5.04 -1.26 -4.83 115.29 112.83 1wui s HIS 195 Ca 0.00 1.62 0.37 0.00 -1.54 0.00 0.00 55.06 55.51 1wui s HIS 195 Cb 0.00 0.36 1.97 0.00 0.04 0.00 0.00 32.58 34.95 1wui s HIS 195 CO 0.00 -0.38 2.23 -1.00 -2.34 0.00 0.00 174.74 173.25 1wui h PRO 196 N 6.40 0.00 -0.00 2.88 0.13 -1.98 -1.84 132.00 137.58 1wui h PRO 196 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 1wui h PRO 196 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1wui h PRO 196 CO 0.20 0.02 -0.24 0.00 -0.23 0.00 0.00 178.00 177.76 1wui n ALA 197 N -2.16 3.01 -2.57 -0.56 0.00 -1.26 -4.78 120.51 112.19 1wui n ALA 197 Ca -0.02 -0.33 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 1wui n ALA 197 Cb 0.14 -1.22 -0.09 0.00 0.00 0.00 0.00 19.45 18.29 1wui n ALA 197 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 1wui s TYR 198 N -2.61 3.22 -0.10 0.00 1.51 -0.69 -4.98 117.35 113.70 1wui s TYR 198 Ca 0.23 0.16 0.12 0.00 -1.01 0.00 0.00 57.07 56.57 1wui s TYR 198 Cb 0.19 -2.64 -0.18 0.00 -0.11 0.00 0.00 41.96 39.23 1wui s TYR 198 CO 0.54 -0.35 0.31 0.66 -1.11 0.00 0.00 175.55 175.60 1wui n TYR 199 N 5.37 0.00 -2.17 2.71 4.01 -1.26 -4.82 117.16 121.00 1wui n TYR 199 Ca -0.09 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.28 1wui n TYR 199 Cb 0.50 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.30 1wui n TYR 199 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1wui s LEU 200 N -3.65 3.92 0.82 7.72 1.43 -1.26 -5.02 118.68 122.64 1wui s LEU 200 Ca -0.03 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 55.32 1wui s LEU 200 Cb 0.08 -4.32 0.08 0.00 0.03 0.00 0.00 46.19 42.06 1wui s LEU 200 CO 0.51 -1.11 1.11 1.51 0.23 0.00 0.00 176.35 178.59 1wui s ASP 201 N -1.37 4.32 0.28 2.29 1.47 -1.26 -4.84 116.67 117.56 1wui s ASP 201 Ca 0.67 1.22 -0.03 0.00 1.18 0.00 0.00 52.55 55.59 1wui s ASP 201 Cb -0.30 -1.92 0.38 0.00 -0.34 0.00 0.00 42.92 40.74 1wui s ASP 201 CO 0.35 -2.07 1.95 -0.65 0.68 0.00 0.00 175.17 175.43 1wui h PRO 202 N -1.16 1.15 -0.50 2.11 0.11 -1.93 -1.62 132.00 130.15 1wui h PRO 202 Ca -0.48 -0.08 -0.07 0.00 0.11 0.00 0.00 66.00 65.48 1wui h PRO 202 Cb 1.28 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 1wui h PRO 202 CO 0.60 0.78 0.03 0.93 -0.21 0.00 0.00 178.00 180.13 1wui h GLU 203 N 1.18 0.87 -0.34 1.05 3.07 -1.90 -0.34 114.58 118.18 1wui h GLU 203 Ca 0.32 -0.26 -0.10 0.00 -0.50 0.00 0.00 59.36 58.81 1wui h GLU 203 Cb -0.11 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.70 1wui h GLU 203 CO -0.07 0.89 -0.21 1.15 -1.40 0.00 0.00 179.01 179.37 1wui h THR 204 N 0.74 1.27 -0.88 1.13 2.02 -1.88 -0.92 112.91 114.38 1wui h THR 204 Ca 0.15 -1.27 0.01 0.00 0.77 0.00 0.00 66.41 66.07 1wui h THR 204 Cb 0.47 1.23 -0.05 0.00 -1.74 0.00 0.00 68.15 68.07 1wui h THR 204 CO 0.02 0.42 0.58 0.78 0.37 0.00 0.00 175.52 177.69 1wui h ASN 205 N 0.58 1.00 -0.39 4.18 -0.26 -1.03 -0.97 115.58 118.69 1wui h ASN 205 Ca 0.09 -0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.77 1wui h ASN 205 Cb 0.67 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.67 1wui h ASN 205 CO 0.05 0.71 0.09 0.25 -1.06 0.00 0.00 177.43 177.48 1wui h LEU 206 N 1.17 0.59 -0.15 1.61 5.85 -0.57 -0.33 115.31 123.49 1wui h LEU 206 Ca 0.33 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1wui h LEU 206 Cb -0.11 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1wui h LEU 206 CO -0.08 0.67 -0.04 0.40 -0.34 0.00 0.00 178.44 179.05 1wui h ILE 207 N 0.48 0.85 -0.58 4.05 2.04 -0.93 0.59 117.51 124.01 1wui h ILE 207 Ca 0.12 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.92 1wui h ILE 207 Cb 0.31 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.21 1wui h ILE 207 CO 0.00 0.00 0.12 0.00 0.00 0.00 0.00 178.15 178.27 1wui h ALA 208 N 1.15 1.11 -0.40 1.87 0.00 -1.07 -1.35 119.26 120.58 1wui h ALA 208 Ca 0.07 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 1wui h ALA 208 Cb 0.11 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1wui h ALA 208 CO -0.16 0.59 0.01 1.15 0.00 0.00 0.00 179.25 180.84 1wui h THR 209 N 0.87 1.26 -0.66 0.00 2.02 -0.78 0.11 112.91 115.73 1wui h THR 209 Ca 0.18 -0.98 0.07 0.00 0.77 0.00 0.00 66.41 66.45 1wui h THR 209 Cb 0.35 1.11 -0.06 0.00 -1.74 0.00 0.00 68.15 67.81 1wui h THR 209 CO 0.00 0.33 0.34 0.00 0.37 0.00 0.00 175.52 176.56 1wui h ALA 210 N 0.89 0.88 -0.00 6.16 0.00 -0.61 -1.60 119.26 124.99 1wui h ALA 210 Ca 0.11 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.90 1wui h ALA 210 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wui h ALA 210 CO 0.02 -0.02 -0.73 0.45 0.00 0.00 0.00 179.25 178.96 1wui h HIS 211 N 0.61 0.03 -0.21 0.00 3.86 -0.97 -0.60 115.15 117.86 1wui h HIS 211 Ca 0.31 -0.01 0.04 0.00 -1.16 0.00 0.00 60.37 59.55 1wui h HIS 211 Cb 0.26 -0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.68 1wui h HIS 211 CO -0.10 0.75 -0.06 -0.92 0.86 0.00 0.00 177.93 178.45 1wui h TYR 212 N 0.01 -0.14 -0.36 2.45 3.20 -0.44 0.75 116.97 122.43 1wui h TYR 212 Ca -0.01 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 1wui h TYR 212 Cb 1.30 0.10 -0.02 0.00 1.54 0.00 0.00 36.73 39.65 1wui h TYR 212 CO 0.00 -0.11 0.14 -0.07 -1.64 0.00 0.00 178.16 176.48 1wui h LEU 213 N -0.02 0.51 -0.84 2.82 3.38 -1.08 -2.45 115.31 117.63 1wui h LEU 213 Ca 0.11 -0.18 0.05 0.00 0.09 0.00 0.00 57.88 57.95 1wui h LEU 213 Cb 0.18 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.74 1wui h LEU 213 CO -0.23 0.55 0.53 -0.08 0.09 0.00 0.00 178.44 179.30 1wui h GLU 214 N 0.44 0.97 0.00 1.13 4.81 -0.88 -2.02 114.58 119.02 1wui h GLU 214 Ca 0.12 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.26 1wui h GLU 214 Cb 0.20 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.36 1wui h GLU 214 CO -0.01 0.64 -0.16 0.00 -0.73 0.00 0.00 179.01 178.75 1wui h ALA 215 N 1.38 1.69 -0.96 2.92 0.00 -0.63 -0.78 119.26 122.89 1wui h ALA 215 Ca 0.35 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.16 1wui h ALA 215 Cb 0.10 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.81 1wui h ALA 215 CO -0.15 0.20 0.63 -0.07 0.00 0.00 0.00 179.25 179.86 1wui h LEU 216 N 0.00 1.04 0.19 0.00 3.38 -0.88 -0.49 115.31 118.54 1wui h LEU 216 Ca -0.00 -0.01 -0.32 0.00 0.09 0.00 0.00 57.88 57.64 1wui h LEU 216 Cb 0.29 -0.24 0.02 0.00 0.09 0.00 0.00 40.66 40.82 1wui h LEU 216 CO 0.02 0.71 -1.47 0.03 0.09 0.00 0.00 178.44 177.81 1wui h ARG 217 N 1.20 0.40 -0.80 1.13 3.08 -1.38 -3.36 114.38 114.65 1wui h ARG 217 Ca 0.38 -0.69 -0.03 0.00 0.07 0.00 0.00 59.98 59.71 1wui h ARG 217 Cb 0.02 0.26 -0.04 0.00 0.08 0.00 0.00 29.97 30.29 1wui h ARG 217 CO -0.12 1.31 0.37 1.25 -1.07 0.00 0.00 179.97 181.72 1wui h LEU 218 N 0.11 1.04 -2.20 3.04 7.12 -0.96 -1.93 115.31 121.53 1wui h LEU 218 Ca -0.24 -0.13 -0.01 0.00 0.13 0.00 0.00 57.88 57.63 1wui h LEU 218 Cb 2.09 -0.27 -0.00 0.00 -0.53 0.00 0.00 40.66 41.95 1wui h LEU 218 CO 0.22 0.89 -0.05 0.06 -0.13 0.00 0.00 178.44 179.43 1wui h GLN 219 N 1.14 0.00 -0.55 1.25 -0.00 -1.23 -0.38 115.11 115.33 1wui h GLN 219 Ca 0.27 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.97 1wui h GLN 219 Cb 0.13 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 27.56 1wui h GLN 219 CO -0.03 0.05 0.29 0.28 -0.00 0.00 0.00 178.83 179.42 1wui h VAL 220 N 0.00 0.97 -0.39 1.86 2.07 -1.49 -0.36 116.25 118.91 1wui h VAL 220 Ca -0.00 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 1wui h VAL 220 Cb 0.14 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.26 1wui h VAL 220 CO 0.01 0.10 -0.13 0.11 0.02 0.00 0.00 177.57 177.68 1wui h LYS 221 N 0.56 0.78 -0.90 1.57 1.57 -1.16 -0.38 116.57 118.61 1wui h LYS 221 Ca 0.24 -0.31 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 1wui h LYS 221 Cb 0.13 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1wui h LYS 221 CO -0.15 0.93 0.53 0.00 -0.57 0.00 0.00 179.45 180.18 1wui h ALA 222 N 0.83 1.15 -0.21 3.86 0.00 -1.04 -1.75 119.26 122.09 1wui h ALA 222 Ca 0.09 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 1wui h ALA 222 Cb 0.66 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1wui h ALA 222 CO 0.05 0.63 -0.61 0.00 0.00 0.00 0.00 179.25 179.32 1wui h ALA 223 N 1.29 0.53 -0.84 0.00 0.00 -1.01 -3.09 119.26 116.13 1wui h ALA 223 Ca 0.32 -0.54 0.12 0.00 0.00 0.00 0.00 54.91 54.81 1wui h ALA 223 Cb -0.02 -0.07 -0.06 0.00 0.00 0.00 0.00 17.79 17.64 1wui h ALA 223 CO -0.06 0.69 0.55 -0.09 0.00 0.00 0.00 179.25 180.34 1wui h ARG 224 N 0.54 0.70 -0.97 0.00 2.43 -0.65 -1.21 114.38 115.22 1wui h ARG 224 Ca -0.00 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.29 1wui h ARG 224 Cb 1.19 -0.16 -0.09 0.00 -0.42 0.00 0.00 29.97 30.50 1wui h ARG 224 CO 0.12 0.46 0.61 0.00 -1.51 0.00 0.00 179.97 179.66 1wui h ALA 225 N 1.59 1.75 -0.37 2.80 0.00 -1.24 -0.08 119.26 123.71 1wui h ALA 225 Ca 0.40 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.27 1wui h ALA 225 Cb 0.56 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1wui h ALA 225 CO -0.17 -0.05 -0.10 0.52 0.00 0.00 0.00 179.25 179.46 1wui h MET 226 N 0.76 0.65 0.00 0.00 2.86 -1.34 -3.13 114.93 114.73 1wui h MET 226 Ca 0.51 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.89 1wui h MET 226 Cb 0.79 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1wui h MET 226 CO -0.28 0.74 -0.32 0.00 1.06 0.00 0.00 176.91 178.11 1wui h ALA 227 N 1.30 1.00 -0.46 6.32 0.00 -0.97 0.13 119.26 126.58 1wui h ALA 227 Ca 0.11 -0.29 0.08 0.00 0.00 0.00 0.00 54.91 54.81 1wui h ALA 227 Cb 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 1wui h ALA 227 CO 0.03 0.40 0.06 0.28 0.00 0.00 0.00 179.25 180.02 1wui h VAL 228 N 0.00 0.71 0.00 0.00 2.07 -1.34 -1.98 116.25 115.71 1wui h VAL 228 Ca -0.00 -0.06 -0.34 0.00 0.82 0.00 0.00 66.70 67.11 1wui h VAL 228 Cb 0.85 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 31.07 1wui h VAL 228 CO 0.04 0.03 -2.12 0.49 0.02 0.00 0.00 177.57 176.03 1wui n PHE 229 N -5.15 0.40 -0.44 1.57 3.72 -1.23 -4.67 117.46 111.66 1wui n PHE 229 Ca 0.04 0.14 0.10 0.00 -0.05 0.00 0.00 57.45 57.69 1wui n PHE 229 Cb 0.23 -1.07 0.32 0.00 -0.94 0.00 0.00 39.48 38.01 1wui n PHE 229 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1wui n GLY 230 N 1.68 2.64 3.64 1.37 0.00 0.46 -4.77 105.19 110.19 1wui n GLY 230 Ca -0.27 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 44.98 1wui n GLY 230 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui n ALA 231 N 1.35 0.00 -3.56 4.61 0.00 -0.76 -1.03 120.51 121.12 1wui n ALA 231 Ca 0.24 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.60 1wui n ALA 231 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.10 1wui n ALA 231 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 1wui s LYS 232 N 0.00 0.56 -0.03 0.00 -2.85 -1.26 -4.86 119.74 111.30 1wui s LYS 232 Ca 0.00 -0.08 -0.01 0.00 -1.00 0.00 0.00 55.97 54.88 1wui s LYS 232 Cb 0.00 0.26 0.03 0.00 -2.06 0.00 0.00 37.83 36.06 1wui s LYS 232 CO 0.00 -0.22 0.04 1.21 0.10 0.00 0.00 175.35 176.48 1wui s ASN 233 N -1.85 0.50 0.62 0.03 3.04 -1.26 -3.34 114.94 112.69 1wui s ASN 233 Ca 0.04 0.06 -0.11 0.00 0.04 0.00 0.00 52.86 52.89 1wui s ASN 233 Cb -0.01 -0.09 -0.04 0.00 -1.54 0.00 0.00 41.25 39.57 1wui s ASN 233 CO -0.04 -0.18 1.03 -2.84 -3.04 0.00 0.00 177.10 172.03 1wui s PRO 234 N 1.53 3.57 -0.12 0.43 0.02 -1.26 -4.99 135.00 134.17 1wui s PRO 234 Ca -0.03 0.75 -0.02 0.00 0.02 0.00 0.00 61.00 61.72 1wui s PRO 234 Cb -0.13 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.32 1wui s PRO 234 CO -0.03 -0.59 0.08 0.72 -0.33 0.00 0.00 177.00 176.84 1wui n HIS 235 N -2.77 -1.33 -0.70 6.54 8.25 -1.26 -5.02 115.22 118.93 1wui n HIS 235 Ca 0.06 0.57 -0.30 0.00 -0.26 0.00 0.00 57.72 57.79 1wui n HIS 235 Cb 0.54 -2.39 0.19 0.00 1.12 0.00 0.00 29.99 29.45 1wui n HIS 235 CO 0.00 0.00 0.00 0.95 0.64 0.00 0.00 176.34 177.93 1wui s THR 236 N -0.94 2.14 -0.45 1.59 -4.23 -1.21 -4.69 115.64 107.84 1wui s THR 236 Ca 0.03 0.05 0.07 0.00 -1.18 0.00 0.00 61.69 60.66 1wui s THR 236 Cb -0.01 -2.12 0.27 0.00 1.34 0.00 0.00 72.50 71.98 1wui s THR 236 CO 0.27 -0.06 0.84 1.67 -0.54 0.00 0.00 174.62 176.81 1wui n GLN 237 N -4.43 0.84 0.00 3.99 7.27 -0.20 -4.91 117.38 119.95 1wui n GLN 237 Ca 0.08 -2.29 0.00 0.00 0.07 0.00 0.00 57.00 54.87 1wui n GLN 237 Cb 0.53 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.84 1wui n GLN 237 CO 0.00 0.00 0.00 1.97 0.07 0.00 0.00 177.06 179.10 1wui n PHE 238 N 1.16 0.00 -3.71 3.69 1.16 -1.26 -4.66 117.46 113.84 1wui n PHE 238 Ca 0.13 0.00 -0.35 0.00 -1.87 0.00 0.00 57.45 55.36 1wui n PHE 238 Cb 0.63 0.00 -0.05 0.00 -1.61 0.00 0.00 39.48 38.45 1wui n PHE 238 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 1wui s THR 239 N 0.00 5.24 0.06 1.97 -4.23 -1.26 -1.12 115.64 116.31 1wui s THR 239 Ca 0.00 0.27 -0.02 0.00 -1.18 0.00 0.00 61.69 60.76 1wui s THR 239 Cb 0.00 -3.59 -0.03 0.00 1.34 0.00 0.00 72.50 70.22 1wui s THR 239 CO 0.00 0.37 0.01 0.68 -0.54 0.00 0.00 174.62 175.14 1wui s VAL 240 N -1.30 0.20 0.21 2.29 -7.23 -0.98 -4.91 120.40 108.68 1wui s VAL 240 Ca 0.28 -1.73 -0.32 0.00 -1.81 0.00 0.00 61.98 58.40 1wui s VAL 240 Cb -0.14 -1.55 -0.13 0.00 0.56 0.00 0.00 36.38 35.13 1wui s VAL 240 CO 0.16 -0.90 1.56 0.52 -0.31 0.00 0.00 175.10 176.13 1wui n VAL 241 N 0.07 0.43 0.00 1.32 0.31 -1.26 -1.47 118.33 117.72 1wui n VAL 241 Ca -0.13 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 1wui n VAL 241 Cb 0.61 -1.66 0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1wui n VAL 241 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1wui n GLY 242 N 2.96 1.63 0.00 2.92 0.00 -1.26 -4.86 105.19 106.57 1wui n GLY 242 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1wui n GLY 242 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wui n GLY 243 N -2.00 -0.42 3.21 -0.02 0.00 -0.54 -0.96 105.19 104.45 1wui n GLY 243 Ca 0.00 -0.19 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1wui n GLY 243 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wui s VAL 244 N 0.00 0.12 -0.36 1.61 -7.23 -0.66 -2.32 120.40 111.56 1wui s VAL 244 Ca 0.00 -1.98 0.10 0.00 -1.81 0.00 0.00 61.98 58.29 1wui s VAL 244 Cb 0.00 -2.41 -0.12 0.00 0.56 0.00 0.00 36.38 34.41 1wui s VAL 244 CO 0.00 -0.12 0.38 0.35 -0.31 0.00 0.00 175.10 175.40 1wui n THR 245 N -0.26 0.00 -2.75 5.32 -2.24 -0.27 -4.29 114.28 109.79 1wui n THR 245 Ca -0.00 -0.26 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1wui n THR 245 Cb 0.65 0.81 0.00 0.00 -2.10 0.00 0.00 70.33 69.70 1wui n THR 245 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wui h TYR 247 N 7.11 0.11 0.00 0.00 -1.99 -1.96 0.10 116.97 120.34 1wui h TYR 247 Ca 0.37 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.11 1wui h TYR 247 Cb 0.84 -0.03 0.00 0.00 2.00 0.00 0.00 36.73 39.54 1wui h TYR 247 CO 1.22 0.05 0.00 0.22 -0.00 0.00 0.00 178.16 179.65 1wui h ASP 248 N 0.10 0.00 0.58 3.88 -0.00 -1.98 -2.08 116.42 116.92 1wui h ASP 248 Ca 0.25 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.28 1wui h ASP 248 Cb 0.87 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.20 1wui h ASP 248 CO -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 179.24 179.22 1wui h ALA 249 N 2.04 1.00 0.00 -0.78 0.00 -1.29 -1.92 119.26 118.31 1wui h ALA 249 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1wui h ALA 249 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1wui h ALA 249 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1wui n LEU 250 N -2.30 0.61 -4.79 0.00 4.77 -0.78 -4.54 117.00 109.97 1wui n LEU 250 Ca 0.01 0.57 -0.36 0.00 -0.03 0.00 0.00 56.01 56.20 1wui n LEU 250 Cb 0.19 -0.38 -0.07 0.00 -2.33 0.00 0.00 43.42 40.83 1wui n LEU 250 CO 0.18 -0.18 0.64 0.42 -1.33 0.00 0.00 177.39 177.12 1wui s THR 251 N -3.09 4.27 0.44 -5.08 -4.23 -0.72 -4.94 115.64 102.29 1wui s THR 251 Ca 0.11 1.71 0.12 0.00 -1.18 0.00 0.00 61.69 62.45 1wui s THR 251 Cb 0.13 -3.89 0.30 0.00 1.34 0.00 0.00 72.50 70.38 1wui s THR 251 CO 0.56 0.02 2.04 -0.65 -0.54 0.00 0.00 174.62 176.04 1wui h PRO 252 N 2.83 0.37 -0.19 3.99 0.11 -1.91 -1.90 132.00 135.31 1wui h PRO 252 Ca -0.47 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1wui h PRO 252 Cb 1.19 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1wui h PRO 252 CO 0.64 0.25 -0.03 1.96 -0.21 0.00 0.00 178.00 180.60 1wui h GLN 253 N 0.38 0.35 -0.48 1.05 7.50 -1.92 0.08 115.11 122.09 1wui h GLN 253 Ca 0.19 -0.13 -0.11 0.00 0.50 0.00 0.00 58.65 59.10 1wui h GLN 253 Cb 0.26 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.75 1wui h GLN 253 CO -0.04 0.60 -0.13 0.00 -1.50 0.00 0.00 178.83 177.76 1wui h ARG 254 N 0.08 0.93 -0.79 1.46 2.47 -1.74 -1.49 114.38 115.30 1wui h ARG 254 Ca 0.05 -0.36 -0.02 0.00 -1.26 0.00 0.00 59.98 58.39 1wui h ARG 254 Cb 0.46 -0.05 -0.04 0.00 -1.65 0.00 0.00 29.97 28.70 1wui h ARG 254 CO 0.02 1.02 0.42 0.82 0.56 0.00 0.00 179.97 182.81 1wui h ILE 255 N 0.78 1.24 -0.70 2.04 2.04 -1.19 -1.12 117.51 120.60 1wui h ILE 255 Ca 0.12 -0.62 -0.05 0.00 1.00 0.00 0.00 64.86 65.31 1wui h ILE 255 Cb 0.69 0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.93 1wui h ILE 255 CO 0.05 0.27 0.25 0.00 0.00 0.00 0.00 178.15 178.73 1wui h ALA 256 N 1.22 1.12 -0.09 1.87 0.00 -0.77 -0.34 119.26 122.27 1wui h ALA 256 Ca 0.28 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1wui h ALA 256 Cb 0.05 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1wui h ALA 256 CO -0.04 0.62 0.03 1.49 0.00 0.00 0.00 179.25 181.35 1wui h GLU 257 N 1.03 0.13 -0.30 0.00 4.81 -0.83 -1.20 114.58 118.22 1wui h GLU 257 Ca 0.23 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1wui h GLU 257 Cb 0.24 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.54 1wui h GLU 257 CO -0.01 0.26 -0.05 0.35 -0.73 0.00 0.00 179.01 178.83 1wui h PHE 258 N -0.03 -0.12 -0.87 0.92 3.04 -1.06 -2.41 116.94 116.41 1wui h PHE 258 Ca 0.03 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.01 1wui h PHE 258 Cb 0.18 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.75 1wui h PHE 258 CO -0.01 -0.11 0.56 1.49 -2.02 0.00 0.00 178.31 178.22 1wui h GLU 259 N 0.02 1.15 -0.65 1.11 4.81 -0.78 0.18 114.58 120.42 1wui h GLU 259 Ca 0.14 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.21 1wui h GLU 259 Cb 0.21 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1wui h GLU 259 CO -0.29 0.78 0.09 0.00 -0.73 0.00 0.00 179.01 178.86 1wui h ALA 260 N 1.31 0.86 -0.38 2.92 0.00 -1.05 0.34 119.26 123.26 1wui h ALA 260 Ca 0.32 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 1wui h ALA 260 Cb -0.11 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1wui h ALA 260 CO -0.07 0.64 -0.14 -0.07 0.00 0.00 0.00 179.25 179.61 1wui h LEU 261 N 1.00 0.78 -0.26 0.00 3.38 -1.01 -2.46 115.31 116.75 1wui h LEU 261 Ca 0.19 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1wui h LEU 261 Cb 0.46 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 1wui h LEU 261 CO 0.02 1.00 0.17 -0.25 0.09 0.00 0.00 178.44 179.46 1wui h TRP 262 N 0.57 0.32 -0.78 1.13 7.01 -0.83 -0.80 115.95 122.58 1wui h TRP 262 Ca 0.09 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 1wui h TRP 262 Cb 0.68 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.60 1wui h TRP 262 CO 0.05 0.20 0.44 0.87 -2.79 0.00 0.00 178.44 177.21 1wui h LYS 263 N 0.35 1.07 -0.57 2.65 1.57 -0.81 0.16 116.57 120.99 1wui h LYS 263 Ca 0.10 -0.12 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 1wui h LYS 263 Cb -0.04 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.04 1wui h LYS 263 CO -0.02 0.79 -0.06 1.49 -0.57 0.00 0.00 179.45 181.07 1wui h GLU 264 N 1.07 1.05 -0.29 3.15 4.81 -1.27 -1.17 114.58 121.93 1wui h GLU 264 Ca 0.27 -0.37 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1wui h GLU 264 Cb 0.02 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1wui h GLU 264 CO -0.05 1.06 0.08 1.15 -0.73 0.00 0.00 179.01 180.53 1wui h THR 265 N 0.94 1.21 -0.86 0.32 2.02 -0.54 -2.04 112.91 113.97 1wui h THR 265 Ca 0.15 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.65 1wui h THR 265 Cb 0.63 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.11 1wui h THR 265 CO 0.04 0.23 0.57 0.50 0.37 0.00 0.00 175.52 177.23 1wui h LYS 266 N 0.31 1.14 -0.85 6.66 3.64 -0.59 -1.01 116.57 125.86 1wui h LYS 266 Ca 0.09 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1wui h LYS 266 Cb 0.27 -0.25 -0.04 0.00 -0.41 0.00 0.00 32.23 31.79 1wui h LYS 266 CO -0.00 0.76 0.56 0.00 -2.27 0.00 0.00 179.45 178.50 1wui h ALA 267 N 1.31 1.08 -0.54 5.00 0.00 -1.02 -0.13 119.26 124.97 1wui h ALA 267 Ca 0.31 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1wui h ALA 267 Cb -0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.30 1wui h ALA 267 CO -0.07 0.47 0.19 0.35 0.00 0.00 0.00 179.25 180.19 1wui h PHE 268 N 1.14 0.85 -0.18 0.00 3.04 -0.69 0.16 116.94 121.26 1wui h PHE 268 Ca 0.32 -0.07 0.05 0.00 3.98 0.00 0.00 57.97 62.24 1wui h PHE 268 Cb -0.11 -0.25 -0.05 0.00 2.56 0.00 0.00 35.95 38.10 1wui h PHE 268 CO -0.01 0.71 -0.14 0.28 -2.02 0.00 0.00 178.31 177.13 1wui h VAL 269 N 0.74 0.61 -0.07 1.41 2.07 -0.74 0.20 116.25 120.47 1wui h VAL 269 Ca 0.18 0.00 -0.20 0.00 0.82 0.00 0.00 66.70 67.50 1wui h VAL 269 Cb 0.24 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1wui h VAL 269 CO -0.01 0.00 -0.78 0.44 0.02 0.00 0.00 177.57 177.24 1wui h ASP 270 N -0.14 0.57 0.00 0.57 3.45 -0.79 -0.75 116.42 119.32 1wui h ASP 270 Ca 0.11 -0.39 0.00 0.00 0.43 0.00 0.00 57.03 57.18 1wui h ASP 270 Cb 0.31 -0.17 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 1wui h ASP 270 CO -0.27 1.15 -1.71 -0.62 -1.57 0.00 0.00 179.24 176.22 1wui n GLU 271 N -3.83 0.56 0.05 3.56 1.02 0.55 -4.45 120.64 118.10 1wui n GLU 271 Ca -0.05 -0.14 0.00 0.00 -0.02 0.00 0.00 57.16 56.94 1wui n GLU 271 Cb 0.74 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.67 1wui n GLU 271 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1wui n VAL 272 N -2.04 0.89 0.44 2.62 0.31 -0.04 -4.69 118.33 115.81 1wui n VAL 272 Ca -0.02 0.29 -0.19 0.00 -0.01 0.00 0.00 64.34 64.42 1wui n VAL 272 Cb 0.49 -1.37 -0.09 0.00 -0.91 0.00 0.00 33.84 31.96 1wui n VAL 272 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1wui h TYR 273 N 0.00 -1.03 -0.35 3.52 3.20 -1.26 -2.07 116.97 118.99 1wui h TYR 273 Ca 0.00 -0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 1wui h TYR 273 Cb 0.00 0.34 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 1wui h TYR 273 CO 0.00 -0.63 0.21 0.82 -1.64 0.00 0.00 178.16 176.91 1wui h ILE 274 N -1.15 1.13 -0.62 1.81 1.08 -1.37 0.60 117.51 118.98 1wui h ILE 274 Ca -0.11 -0.31 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 1wui h ILE 274 Cb 0.86 0.69 -0.03 0.00 -3.07 0.00 0.00 36.82 35.27 1wui h ILE 274 CO 0.19 0.13 0.40 -0.65 -0.69 0.00 0.00 178.15 177.53 1wui h PRO 275 N 0.45 0.82 -0.39 2.37 0.11 -1.77 -1.09 132.00 132.51 1wui h PRO 275 Ca 0.13 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.10 1wui h PRO 275 Cb 0.03 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 30.94 1wui h PRO 275 CO -0.02 0.56 -0.06 -0.44 -0.21 0.00 0.00 178.00 177.83 1wui h ASP 276 N 0.85 0.72 -0.69 -2.05 3.32 -0.77 -1.28 116.42 116.52 1wui h ASP 276 Ca 0.23 -0.34 0.08 0.00 0.02 0.00 0.00 57.03 57.01 1wui h ASP 276 Cb -0.08 -0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.21 1wui h ASP 276 CO -0.05 0.89 0.36 0.25 -1.72 0.00 0.00 179.24 178.98 1wui h LEU 277 N 0.53 0.51 -0.42 1.55 5.85 -0.47 -0.73 115.31 122.14 1wui h LEU 277 Ca 0.10 0.05 -0.17 0.00 0.84 0.00 0.00 57.88 58.69 1wui h LEU 277 Cb 0.56 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.54 1wui h LEU 277 CO 0.03 0.31 -0.57 -0.07 -0.34 0.00 0.00 178.44 177.79 1wui h LEU 278 N 0.64 0.75 -0.52 2.25 3.38 -0.96 -0.50 115.31 120.35 1wui h LEU 278 Ca 0.33 -0.41 -0.14 0.00 0.09 0.00 0.00 57.88 57.75 1wui h LEU 278 Cb 0.29 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1wui h LEU 278 CO -0.23 1.16 -0.28 1.62 0.09 0.00 0.00 178.44 180.80 1wui h VAL 279 N 0.51 1.27 -0.31 1.22 3.04 -0.90 -0.55 116.25 120.53 1wui h VAL 279 Ca 0.00 -1.44 -0.09 0.00 -1.01 0.00 0.00 66.70 64.17 1wui h VAL 279 Cb 1.15 1.24 -0.01 0.00 -2.01 0.00 0.00 31.29 31.66 1wui h VAL 279 CO 0.11 0.49 -0.16 0.58 -1.01 0.00 0.00 177.57 177.58 1wui h VAL 280 N 0.77 1.29 -0.82 1.51 2.07 -1.10 -2.64 116.25 117.34 1wui h VAL 280 Ca 0.09 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.35 1wui h VAL 280 Cb 0.84 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1wui h VAL 280 CO 0.07 0.41 0.54 0.00 0.02 0.00 0.00 177.57 178.61 1wui h ALA 281 N 0.75 1.05 -0.35 1.67 0.00 -0.98 -1.68 119.26 119.73 1wui h ALA 281 Ca 0.07 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1wui h ALA 281 Cb 0.69 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1wui h ALA 281 CO 0.05 0.42 0.04 0.00 0.00 0.00 0.00 179.25 179.76 1wui h ALA 282 N 1.31 1.42 0.00 0.00 0.00 -0.99 -2.21 119.26 118.79 1wui h ALA 282 Ca 0.31 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 282 Cb -0.09 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1wui h ALA 282 CO -0.08 0.42 -0.16 0.00 0.00 0.00 0.00 179.25 179.42 1wui h ALA 283 N 1.54 0.94 -0.77 0.00 0.00 -0.96 -3.28 119.26 116.73 1wui h ALA 283 Ca 0.12 -0.15 -0.56 0.00 0.00 0.00 0.00 54.91 54.32 1wui h ALA 283 Cb 0.27 -0.03 -0.40 0.00 0.00 0.00 0.00 17.79 17.63 1wui h ALA 283 CO 0.00 0.21 -0.60 0.66 0.00 0.00 0.00 179.25 179.52 1wui n TYR 284 N -3.21 2.77 0.31 0.00 4.02 -0.81 -4.83 117.16 115.42 1wui n TYR 284 Ca 0.02 -2.31 0.20 0.00 -0.01 0.00 0.00 57.90 55.80 1wui n TYR 284 Cb 0.49 -0.48 1.02 0.00 -0.02 0.00 0.00 39.34 40.35 1wui n TYR 284 CO 0.00 0.00 0.00 0.87 -1.01 0.00 0.00 176.86 176.72 1wui h LYS 285 N 2.13 0.00 -0.01 -0.72 1.57 -1.53 0.30 116.57 118.32 1wui h LYS 285 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.18 1wui h LYS 285 Cb 1.44 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.75 1wui h LYS 285 CO 0.85 0.01 0.02 0.38 -0.57 0.00 0.00 179.45 180.15 1wui h ASP 286 N 0.00 0.00 0.00 0.86 -0.00 -1.89 -2.31 116.42 113.08 1wui h ASP 286 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1wui h ASP 286 Cb 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 39.50 1wui h ASP 286 CO 0.00 0.00 0.00 0.79 -0.00 0.00 0.00 179.24 180.03 1wui n TRP 287 N -3.44 0.00 0.53 4.15 7.02 0.10 -1.72 117.44 124.08 1wui n TRP 287 Ca -0.03 0.00 0.10 0.00 -1.02 0.00 0.00 57.50 56.55 1wui n TRP 287 Cb 0.10 0.00 0.40 0.00 -2.42 0.00 0.00 31.31 29.39 1wui n TRP 287 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1wui n THR 288 N -0.96 0.81 1.01 -0.99 -2.24 -0.87 -2.37 114.28 108.67 1wui n THR 288 Ca 0.16 0.18 0.11 0.00 -2.27 0.00 0.00 64.05 62.23 1wui n THR 288 Cb 0.07 -0.97 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 1wui n THR 288 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1wui n GLN 289 N -1.76 0.80 -4.28 -0.78 1.13 -0.70 -4.69 117.38 107.11 1wui n GLN 289 Ca 0.04 -0.66 -0.20 0.00 -1.94 0.00 0.00 57.00 54.24 1wui n GLN 289 Cb 0.22 -1.49 -0.11 0.00 0.11 0.00 0.00 30.24 28.97 1wui n GLN 289 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 1wui s TYR 290 N -2.65 1.59 -0.35 1.08 2.02 -1.24 -4.89 117.35 112.91 1wui s TYR 290 Ca 0.15 -0.50 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1wui s TYR 290 Cb 0.17 -0.83 0.00 0.00 -0.40 0.00 0.00 41.96 40.91 1wui s TYR 290 CO 0.66 0.21 0.00 0.41 -1.57 0.00 0.00 175.55 175.27 1wui n GLY 291 N 0.57 0.21 3.82 0.71 0.00 -1.19 -0.26 105.19 109.05 1wui n GLY 291 Ca -0.16 -0.72 -0.31 0.00 0.00 0.00 0.00 46.02 44.83 1wui n GLY 291 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wui s GLY 292 N -2.82 1.70 0.15 -0.02 0.00 -1.25 -3.73 107.32 101.35 1wui s GLY 292 Ca 0.00 0.11 -0.01 0.00 0.00 0.00 0.00 44.72 44.82 1wui s GLY 292 CO 0.00 0.42 0.08 -0.51 0.00 0.00 0.00 173.10 173.09 1wui s THR 293 N -3.00 0.08 -0.26 0.90 -4.23 -1.26 -4.09 115.64 103.77 1wui s THR 293 Ca 0.58 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 59.15 1wui s THR 293 Cb -0.14 -2.16 -0.16 0.00 1.34 0.00 0.00 72.50 71.38 1wui s THR 293 CO 0.54 -0.34 -0.25 0.47 -0.54 0.00 0.00 174.62 174.49 1wui n ASP 294 N -0.14 1.98 -4.26 3.99 8.00 -1.26 -4.86 116.55 120.00 1wui n ASP 294 Ca -0.04 -0.01 -0.23 0.00 0.71 0.00 0.00 54.79 55.22 1wui n ASP 294 Cb 0.64 -0.52 -0.13 0.00 -0.02 0.00 0.00 41.12 41.09 1wui n ASP 294 CO 0.00 0.00 0.00 0.20 -0.39 0.00 0.00 177.20 177.01 1wui s ASN 295 N -6.78 2.38 -0.00 -2.24 0.01 -1.26 -0.77 114.94 106.27 1wui s ASN 295 Ca -0.36 -0.64 0.01 0.00 -0.71 0.00 0.00 52.86 51.16 1wui s ASN 295 Cb 0.10 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.63 1wui s ASN 295 CO 0.57 0.06 -0.02 -0.36 -1.51 0.00 0.00 177.10 175.84 1wui s PHE 296 N -1.10 0.20 0.01 2.20 0.40 -0.03 -0.76 117.98 118.89 1wui s PHE 296 Ca 0.05 -0.03 0.02 0.00 -0.60 0.00 0.00 56.93 56.37 1wui s PHE 296 Cb -0.10 -0.14 -0.01 0.00 0.51 0.00 0.00 43.02 43.28 1wui s PHE 296 CO 0.03 -0.01 -0.06 -1.50 0.70 0.00 0.00 175.22 174.38 1wui s ILE 297 N 0.01 0.48 -0.04 0.64 2.07 -0.37 -0.98 121.20 123.02 1wui s ILE 297 Ca 0.00 -0.47 -0.16 0.00 -1.41 0.00 0.00 60.65 58.61 1wui s ILE 297 Cb -0.02 -0.45 0.03 0.00 0.13 0.00 0.00 42.46 42.15 1wui s ILE 297 CO -0.00 -0.01 0.34 0.28 -1.91 0.00 0.00 174.94 173.64 1wui s THR 298 N -0.47 0.04 -0.76 4.00 -1.32 -0.73 -4.36 115.64 112.05 1wui s THR 298 Ca -0.01 -0.36 0.16 0.00 -1.21 0.00 0.00 61.69 60.27 1wui s THR 298 Cb -0.04 -0.62 -0.17 0.00 -1.51 0.00 0.00 72.50 70.15 1wui s THR 298 CO -0.00 -0.20 0.68 0.49 -2.21 0.00 0.00 174.62 173.38 1wui n PHE 299 N 1.53 0.00 0.00 9.09 0.99 -1.26 -1.52 117.46 126.29 1wui n PHE 299 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.25 1wui n PHE 299 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.04 1wui n PHE 299 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1wui n GLY 300 N 1.37 -2.46 3.40 1.37 0.00 -1.25 -3.94 105.19 103.68 1wui n GLY 300 Ca 0.03 -1.46 -0.14 0.00 0.00 0.00 0.00 46.02 44.46 1wui n GLY 300 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1wui s GLU 301 N -3.05 1.09 -0.06 1.61 2.56 -0.28 -3.33 118.70 117.25 1wui s GLU 301 Ca 0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.97 54.69 1wui s GLU 301 Cb 0.00 0.50 -0.00 0.00 2.00 0.00 0.00 34.13 36.63 1wui s GLU 301 CO 0.00 -0.41 0.05 1.19 -0.56 0.00 0.00 175.26 175.53 1wui n PHE 302 N 0.23 -0.21 -2.37 5.30 3.01 -1.26 -1.50 117.46 120.65 1wui n PHE 302 Ca -0.18 0.08 -0.34 0.00 1.01 0.00 0.00 57.45 58.02 1wui n PHE 302 Cb 0.61 -1.77 -0.01 0.00 -0.01 0.00 0.00 39.48 38.30 1wui n PHE 302 CO 0.00 0.00 0.00 -1.25 1.01 0.00 0.00 176.76 176.52 1wui s PRO 303 N -3.01 3.57 -0.02 -1.08 0.04 -1.26 -2.05 135.00 131.18 1wui s PRO 303 Ca 0.00 1.43 0.11 0.00 0.04 0.00 0.00 61.00 62.59 1wui s PRO 303 Cb -0.00 -2.05 -0.23 0.00 0.04 0.00 0.00 34.50 32.26 1wui s PRO 303 CO 0.05 -0.64 0.76 0.87 0.04 0.00 0.00 177.00 178.08 1wui h LYS 304 N 1.27 0.01 -4.23 4.56 1.79 -1.82 -3.46 116.57 114.69 1wui h LYS 304 Ca -0.49 -0.02 -0.55 0.00 -2.18 0.00 0.00 60.65 57.42 1wui h LYS 304 Cb 1.24 0.01 -0.37 0.00 -1.58 0.00 0.00 32.23 31.52 1wui h LYS 304 CO 0.58 0.59 -0.80 0.34 -1.08 0.00 0.00 179.45 179.08 1wui s ASP 305 N -6.22 2.53 0.35 0.86 3.68 -1.26 -5.02 116.67 111.59 1wui s ASP 305 Ca -0.04 -0.49 0.25 0.00 2.13 0.00 0.00 52.55 54.40 1wui s ASP 305 Cb 0.08 -0.90 1.23 0.00 -1.45 0.00 0.00 42.92 41.88 1wui s ASP 305 CO 0.82 -0.15 1.77 -0.33 0.13 0.00 0.00 175.17 177.41 1wui h GLU 306 N 8.14 0.00 -0.41 4.34 4.39 -1.96 -2.30 114.58 126.78 1wui h GLU 306 Ca -0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.42 1wui h GLU 306 Cb 1.12 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.77 1wui h GLU 306 CO 0.41 0.00 0.00 0.66 -1.16 0.00 0.00 179.01 178.92 1wui n TYR 307 N -2.38 0.53 -3.66 4.33 4.02 -1.26 -4.86 117.16 113.88 1wui n TYR 307 Ca -0.00 -0.34 -0.29 0.00 -0.01 0.00 0.00 57.90 57.26 1wui n TYR 307 Cb 0.13 -0.01 -0.16 0.00 -0.02 0.00 0.00 39.34 39.28 1wui n TYR 307 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 176.86 176.19 1wui s ASP 308 N -1.19 3.44 0.50 7.72 3.68 -0.87 -4.98 116.67 124.98 1wui s ASP 308 Ca 0.34 -1.23 0.18 0.00 2.13 0.00 0.00 52.55 53.97 1wui s ASP 308 Cb 0.19 -0.58 1.24 0.00 -1.45 0.00 0.00 42.92 42.32 1wui s ASP 308 CO 0.26 -0.39 2.06 -0.07 0.13 0.00 0.00 175.17 177.16 1wui h LEU 309 N 8.26 0.10 0.00 -1.34 3.38 -1.89 -1.04 115.31 122.78 1wui h LEU 309 Ca -0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1wui h LEU 309 Cb 1.05 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1wui h LEU 309 CO 0.41 0.06 0.00 0.59 0.09 0.00 0.00 178.44 179.60 1wui n ASN 310 N -4.46 0.00 -0.58 -0.43 5.03 -1.26 -2.21 115.26 111.35 1wui n ASN 310 Ca 0.04 -1.01 0.13 0.00 0.87 0.00 0.00 54.58 54.61 1wui n ASN 310 Cb 0.33 0.00 0.43 0.00 -1.02 0.00 0.00 39.78 39.52 1wui n ASN 310 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 1wui n SER 311 N -0.91 1.78 -4.83 6.41 3.41 -0.39 -4.94 113.62 114.15 1wui n SER 311 Ca 0.17 -1.62 -0.33 0.00 -0.26 0.00 0.00 58.87 56.83 1wui n SER 311 Cb 0.08 -0.03 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1wui n SER 311 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1wui s ARG 312 N -1.94 4.14 0.23 4.33 0.52 -0.94 -2.50 118.95 122.79 1wui s ARG 312 Ca 0.36 0.92 -0.08 0.00 -0.52 0.00 0.00 55.73 56.41 1wui s ARG 312 Cb 0.20 -2.31 0.22 0.00 0.52 0.00 0.00 34.95 33.58 1wui s ARG 312 CO 0.32 0.06 1.91 0.35 0.02 0.00 0.00 175.30 177.96 1wui h PHE 313 N 2.10 1.15 -3.16 -0.53 3.57 -0.67 -3.35 116.94 116.05 1wui h PHE 313 Ca -0.48 0.02 -0.63 0.00 3.53 0.00 0.00 57.97 60.41 1wui h PHE 313 Cb 1.18 -0.39 -0.13 0.00 2.79 0.00 0.00 35.95 39.40 1wui h PHE 313 CO 0.62 0.73 -0.54 -0.06 -2.23 0.00 0.00 178.31 176.83 1wui s PHE 314 N -6.11 3.34 0.25 0.41 0.08 -0.91 -4.98 117.98 110.06 1wui s PHE 314 Ca -0.13 0.23 -0.03 0.00 0.12 0.00 0.00 56.93 57.12 1wui s PHE 314 Cb 0.17 -2.03 -0.05 0.00 -0.57 0.00 0.00 43.02 40.54 1wui s PHE 314 CO 0.81 0.34 0.47 0.15 -0.10 0.00 0.00 175.22 176.89 1wui s LYS 315 N -0.08 3.57 0.87 0.44 1.02 -1.26 -1.13 119.74 123.17 1wui s LYS 315 Ca 0.08 -0.18 -0.11 0.00 0.02 0.00 0.00 55.97 55.77 1wui s LYS 315 Cb -0.12 -2.74 0.11 0.00 -0.52 0.00 0.00 37.83 34.56 1wui s LYS 315 CO 0.01 0.30 1.09 -1.25 -0.92 0.00 0.00 175.35 174.58 1wui s PRO 316 N -3.48 1.50 0.00 -1.68 0.04 -1.25 -3.94 135.00 126.18 1wui s PRO 316 Ca 0.41 0.82 0.00 0.00 0.04 0.00 0.00 61.00 62.27 1wui s PRO 316 Cb -0.11 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.60 1wui s PRO 316 CO 0.30 -2.07 0.00 0.41 0.04 0.00 0.00 177.00 175.67 1wui n GLY 317 N -1.31 0.71 2.92 0.56 0.00 -0.58 -4.80 105.19 102.70 1wui n GLY 317 Ca 0.07 -0.79 -0.19 0.00 0.00 0.00 0.00 46.02 45.11 1wui n GLY 317 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1wui s VAL 318 N -2.00 0.53 -0.05 1.61 1.01 -0.55 -1.77 120.40 119.19 1wui s VAL 318 Ca 0.00 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.84 1wui s VAL 318 Cb 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 36.38 35.86 1wui s VAL 318 CO 0.00 0.20 -0.12 -0.69 0.00 0.00 0.00 175.10 174.49 1wui s VAL 319 N 0.62 1.10 -0.09 2.92 1.01 -0.15 -0.39 120.40 125.41 1wui s VAL 319 Ca -0.08 -0.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.39 1wui s VAL 319 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.26 1wui s VAL 319 CO 0.00 0.34 -0.05 -0.36 0.00 0.00 0.00 175.10 175.03 1wui s PHE 320 N 0.34 3.01 -1.49 5.22 0.08 -1.26 -0.85 117.98 123.03 1wui s PHE 320 Ca -0.08 -0.03 -0.10 0.00 0.12 0.00 0.00 56.93 56.84 1wui s PHE 320 Cb -0.12 -1.79 0.07 0.00 -0.57 0.00 0.00 43.02 40.60 1wui s PHE 320 CO 0.02 0.26 0.89 1.63 -0.10 0.00 0.00 175.22 177.92 1wui n LYS 321 N 2.55 -5.20 -1.93 0.44 5.02 -0.71 -1.30 118.16 117.02 1wui n LYS 321 Ca -0.18 0.58 -0.16 0.00 -2.02 0.00 0.00 58.31 56.54 1wui n LYS 321 Cb 0.53 -5.36 -0.04 0.00 -0.02 0.00 0.00 35.03 30.14 1wui n LYS 321 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1wui n ARG 322 N -4.57 -1.66 -2.73 1.97 1.74 0.05 -4.89 116.66 106.56 1wui n ARG 322 Ca -0.05 0.86 -0.43 0.00 -0.77 0.00 0.00 57.85 57.45 1wui n ARG 322 Cb 0.57 -5.31 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 1wui n ARG 322 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1wui n ASP 323 N -1.33 5.24 0.00 0.55 4.64 -0.42 -4.76 116.55 120.46 1wui n ASP 323 Ca -0.17 -3.05 0.13 0.00 -1.38 0.00 0.00 54.79 50.32 1wui n ASP 323 Cb 0.58 -1.51 0.63 0.00 -1.04 0.00 0.00 41.12 39.77 1wui n ASP 323 CO 0.00 0.00 0.00 0.49 -0.82 0.00 0.00 177.20 176.87 1wui n PHE 324 N 4.64 0.00 0.96 -0.67 3.72 -1.26 -1.83 117.46 123.02 1wui n PHE 324 Ca 0.37 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.90 1wui n PHE 324 Cb 0.40 -0.40 0.60 0.00 -0.94 0.00 0.00 39.48 39.14 1wui n PHE 324 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1wui n LYS 325 N -1.40 0.00 -3.16 -1.08 5.02 -1.26 -4.21 118.16 112.06 1wui n LYS 325 Ca 0.10 0.02 -0.24 0.00 -2.02 0.00 0.00 58.31 56.16 1wui n LYS 325 Cb 0.27 -1.50 -0.05 0.00 -0.02 0.00 0.00 35.03 33.72 1wui n LYS 325 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wui n ASN 326 N -1.50 2.62 -4.71 4.39 3.02 -0.76 -5.07 115.26 113.25 1wui n ASN 326 Ca 0.07 -3.28 -0.42 0.00 -0.03 0.00 0.00 54.58 50.92 1wui n ASN 326 Cb 0.33 -0.62 -0.03 0.00 -0.61 0.00 0.00 39.78 38.85 1wui n ASN 326 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1wui s ILE 327 N -2.89 3.76 0.12 2.41 1.01 -1.26 -4.79 121.20 119.57 1wui s ILE 327 Ca 0.42 1.23 -0.07 0.00 0.00 0.00 0.00 60.65 62.23 1wui s ILE 327 Cb 0.25 -3.79 -0.06 0.00 0.01 0.00 0.00 42.46 38.87 1wui s ILE 327 CO -0.09 0.07 0.40 -0.54 0.00 0.00 0.00 174.94 174.78 1wui s LYS 328 N 1.46 3.69 0.66 2.79 -0.14 0.47 -4.91 119.74 123.77 1wui s LYS 328 Ca 0.61 0.05 -0.16 0.00 -1.36 0.00 0.00 55.97 55.11 1wui s LYS 328 Cb -0.32 -2.89 0.00 0.00 -1.68 0.00 0.00 37.83 32.95 1wui s LYS 328 CO 0.28 0.49 1.18 -1.25 -0.76 0.00 0.00 175.35 175.29 1wui s PRO 329 N -2.37 2.62 -0.29 -1.68 0.04 -1.26 -1.48 135.00 130.59 1wui s PRO 329 Ca 0.38 1.69 -0.26 0.00 0.04 0.00 0.00 61.00 62.85 1wui s PRO 329 Cb -0.13 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.52 1wui s PRO 329 CO 0.21 -1.45 0.89 0.12 0.04 0.00 0.00 177.00 176.82 1wui s PHE 330 N -1.93 3.22 -0.38 0.56 5.36 -1.26 -4.66 117.98 118.88 1wui s PHE 330 Ca 0.73 1.03 -0.09 0.00 -0.96 0.00 0.00 56.93 57.64 1wui s PHE 330 Cb -0.27 -3.31 0.05 0.00 -0.34 0.00 0.00 43.02 39.14 1wui s PHE 330 CO 0.39 -0.58 0.20 0.34 -1.46 0.00 0.00 175.22 174.11 1wui s ASP 331 N 1.54 5.60 0.39 6.13 3.68 -1.26 -4.97 116.67 127.78 1wui s ASP 331 Ca 0.37 -1.20 0.28 0.00 2.13 0.00 0.00 52.55 54.13 1wui s ASP 331 Cb -0.14 -1.97 1.37 0.00 -1.45 0.00 0.00 42.92 40.72 1wui s ASP 331 CO 0.12 -0.42 1.84 0.07 0.13 0.00 0.00 175.17 176.91 1wui h LYS 332 N 8.37 0.00 -0.00 4.34 2.10 -2.00 -1.31 116.57 128.07 1wui h LYS 332 Ca -0.24 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.41 1wui h LYS 332 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 1wui h LYS 332 CO 0.68 0.00 -0.07 -1.33 -2.00 0.00 0.00 179.45 176.73 1wui n MET 333 N -2.50 0.49 -0.30 0.07 2.81 -1.26 -3.73 117.12 112.70 1wui n MET 333 Ca -0.00 -0.09 0.10 0.00 -1.81 0.00 0.00 57.70 55.89 1wui n MET 333 Cb 0.13 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.41 1wui n MET 333 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1wui n GLN 334 N -1.18 2.41 -3.08 0.03 1.13 -0.49 -4.85 117.38 111.36 1wui n GLN 334 Ca 0.13 -2.19 -0.40 0.00 -1.94 0.00 0.00 57.00 52.61 1wui n GLN 334 Cb 0.27 -1.48 -0.05 0.00 0.11 0.00 0.00 30.24 29.09 1wui n GLN 334 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1wui s ILE 335 N -1.22 5.02 0.02 5.09 1.01 -1.24 -1.54 121.20 128.34 1wui s ILE 335 Ca 0.41 1.30 0.03 0.00 0.00 0.00 0.00 60.65 62.39 1wui s ILE 335 Cb 0.21 -3.99 -0.02 0.00 0.01 0.00 0.00 42.46 38.68 1wui s ILE 335 CO 0.28 0.15 -0.10 -1.61 0.00 0.00 0.00 174.94 173.66 1wui s GLU 336 N 1.59 0.72 -0.25 2.79 2.02 -0.63 -4.12 118.70 120.83 1wui s GLU 336 Ca 0.32 -0.56 -0.07 0.00 0.02 0.00 0.00 54.97 54.69 1wui s GLU 336 Cb -0.16 -0.67 -0.02 0.00 0.10 0.00 0.00 34.13 33.37 1wui s GLU 336 CO 0.12 0.17 0.06 -1.21 0.02 0.00 0.00 175.26 174.42 1wui s GLU 337 N -0.82 3.60 0.41 1.61 2.02 0.11 -0.65 118.70 124.96 1wui s GLU 337 Ca -0.00 -0.51 -0.15 0.00 0.02 0.00 0.00 54.97 54.32 1wui s GLU 337 Cb -0.06 -3.30 -0.08 0.00 0.10 0.00 0.00 34.13 30.79 1wui s GLU 337 CO 0.00 -0.21 0.84 -1.01 0.02 0.00 0.00 175.26 174.91 1wui s HIS 338 N 1.60 3.41 0.00 1.61 3.76 0.09 -1.79 115.29 123.97 1wui s HIS 338 Ca 0.06 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.27 1wui s HIS 338 Cb -0.15 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 30.91 1wui s HIS 338 CO 0.03 -0.11 0.22 1.33 -0.85 0.00 0.00 174.74 175.36 1wui n VAL 339 N -0.96 0.00 -0.23 -0.90 0.24 -1.26 -1.14 118.33 114.08 1wui n VAL 339 Ca 0.05 -0.26 0.13 0.00 -2.04 0.00 0.00 64.34 62.21 1wui n VAL 339 Cb 0.54 1.39 0.42 0.00 -1.47 0.00 0.00 33.84 34.72 1wui n VAL 339 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1wui h ARG 340 N 0.00 0.58 -0.37 7.34 9.65 -1.76 -0.86 114.38 128.96 1wui h ARG 340 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1wui h ARG 340 Cb 0.19 -0.13 0.00 0.00 -1.39 0.00 0.00 29.97 28.64 1wui h ARG 340 CO 0.00 0.38 0.00 0.72 2.80 0.00 0.00 179.97 183.87 1wui n HIS 341 N -4.53 1.34 -4.37 2.20 8.25 -1.26 -4.62 115.22 112.23 1wui n HIS 341 Ca 0.16 -0.82 -0.24 0.00 -0.26 0.00 0.00 57.72 56.56 1wui n HIS 341 Cb 0.48 -0.38 -0.09 0.00 1.12 0.00 0.00 29.99 31.13 1wui n HIS 341 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1wui s SER 342 N -1.53 4.12 -1.42 0.41 0.01 -0.33 -1.40 113.70 113.55 1wui s SER 342 Ca 0.46 -0.90 -0.07 0.00 1.31 0.00 0.00 55.95 56.75 1wui s SER 342 Cb 0.37 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 66.09 1wui s SER 342 CO 0.11 -0.09 2.53 0.79 0.41 0.00 0.00 173.24 176.99 1wui n TRP 343 N -0.84 2.59 -4.25 2.43 8.01 -0.29 -4.82 117.44 120.27 1wui n TRP 343 Ca -0.05 -2.91 -0.14 0.00 -1.31 0.00 0.00 57.50 53.09 1wui n TRP 343 Cb 0.61 -2.07 -0.10 0.00 -2.01 0.00 0.00 31.31 27.74 1wui n TRP 343 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 1wui s TYR 344 N 0.11 1.24 0.26 -5.99 1.51 -1.23 -0.65 117.35 112.60 1wui s TYR 344 Ca 0.58 -0.98 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1wui s TYR 344 Cb 0.18 -0.70 -0.10 0.00 -0.11 0.00 0.00 41.96 41.23 1wui s TYR 344 CO -0.08 -0.16 1.40 -1.21 -1.11 0.00 0.00 175.55 174.39 1wui s GLU 345 N -3.89 4.30 2.82 -0.62 2.02 -0.02 -4.64 118.70 118.67 1wui s GLU 345 Ca 0.23 2.25 0.00 0.00 0.02 0.00 0.00 54.97 57.47 1wui s GLU 345 Cb 0.06 -3.11 0.00 0.00 0.10 0.00 0.00 34.13 31.17 1wui s GLU 345 CO 0.04 -0.36 0.00 0.41 0.02 0.00 0.00 175.26 175.37 1wui n GLY 346 N 1.96 -0.34 0.00 -1.39 0.00 -1.26 -4.64 105.19 99.52 1wui n GLY 346 Ca 0.05 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.02 1wui n GLY 346 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1wui n ALA 347 N 3.51 0.76 -2.62 4.61 0.00 -1.26 -4.33 120.51 121.19 1wui n ALA 347 Ca 0.00 -0.38 -0.41 0.00 0.00 0.00 0.00 53.44 52.65 1wui n ALA 347 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1wui n ALA 347 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1wui s GLU 348 N -0.00 4.03 0.53 0.00 2.12 -1.26 -4.35 118.70 119.77 1wui s GLU 348 Ca 0.00 0.42 -0.20 0.00 0.36 0.00 0.00 54.97 55.56 1wui s GLU 348 Cb 0.00 -3.68 -0.06 0.00 0.26 0.00 0.00 34.13 30.65 1wui s GLU 348 CO 0.00 -0.45 1.11 0.00 -0.54 0.00 0.00 175.26 175.38 1wui s ALA 349 N 2.50 2.73 -0.01 6.30 0.00 -1.26 -4.51 121.76 127.52 1wui s ALA 349 Ca 0.25 0.77 0.01 0.00 0.00 0.00 0.00 51.96 52.99 1wui s ALA 349 Cb -0.15 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.63 1wui s ALA 349 CO 0.10 -0.67 -0.04 1.03 0.00 0.00 0.00 175.76 176.18 1wui s ARG 350 N -3.29 0.33 0.37 0.00 1.81 -0.74 -4.86 118.95 112.57 1wui s ARG 350 Ca 0.71 -0.12 -0.28 0.00 -1.72 0.00 0.00 55.73 54.33 1wui s ARG 350 Cb -0.22 -0.34 -0.10 0.00 -0.45 0.00 0.00 34.95 33.84 1wui s ARG 350 CO 0.26 0.06 1.34 -1.58 -0.68 0.00 0.00 175.30 174.70 1wui s HIS 351 N 0.03 2.86 0.47 -0.53 5.65 -1.26 -0.72 115.29 121.79 1wui s HIS 351 Ca 0.00 1.36 0.40 0.00 0.25 0.00 0.00 55.06 57.07 1wui s HIS 351 Cb -0.03 -3.75 2.02 0.00 -1.18 0.00 0.00 32.58 29.64 1wui s HIS 351 CO -0.00 -2.20 2.23 -1.00 -0.65 0.00 0.00 174.74 173.12 1wui h PRO 352 N 3.03 0.00 0.00 2.88 0.13 -1.95 0.13 132.00 136.22 1wui h PRO 352 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 1wui h PRO 352 Cb 1.24 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1wui h PRO 352 CO 0.64 0.01 0.00 0.91 -0.23 0.00 0.00 178.00 179.33 1wui n TRP 353 N -3.15 0.00 -1.77 1.56 8.01 -1.26 -1.98 117.44 118.85 1wui n TRP 353 Ca -0.02 0.00 0.06 0.00 -1.31 0.00 0.00 57.50 56.23 1wui n TRP 353 Cb 0.16 -0.46 0.17 0.00 -2.01 0.00 0.00 31.31 29.16 1wui n TRP 353 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 1wui n LYS 354 N -1.46 1.24 -1.42 -0.99 5.02 0.40 -4.92 118.16 116.03 1wui n LYS 354 Ca 0.05 -2.99 -0.31 0.00 -2.02 0.00 0.00 58.31 53.04 1wui n LYS 354 Cb 0.21 -1.27 0.07 0.00 -0.02 0.00 0.00 35.03 34.02 1wui n LYS 354 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1wui s GLY 355 N -2.95 1.67 -0.01 0.72 0.00 -0.84 -4.68 107.32 101.23 1wui s GLY 355 Ca 0.37 0.14 0.01 0.00 0.00 0.00 0.00 44.72 45.23 1wui s GLY 355 CO -0.09 0.48 -0.03 1.20 0.00 0.00 0.00 173.10 174.66 1wui s GLN 356 N -4.99 0.30 -0.42 2.90 -0.21 -1.26 -5.04 119.66 110.94 1wui s GLN 356 Ca 0.60 -0.09 0.02 0.00 0.02 0.00 0.00 55.36 55.90 1wui s GLN 356 Cb -0.15 -0.32 0.14 0.00 1.00 0.00 0.00 33.01 33.68 1wui s GLN 356 CO 0.55 0.04 0.25 0.99 -2.12 0.00 0.00 175.29 175.00 1wui s THR 357 N 0.11 0.98 -0.58 -0.19 2.01 -1.26 -5.05 115.64 111.66 1wui s THR 357 Ca -0.01 -2.37 0.04 0.00 0.31 0.00 0.00 61.69 59.67 1wui s THR 357 Cb -0.04 -1.69 0.15 0.00 0.01 0.00 0.00 72.50 70.94 1wui s THR 357 CO -0.00 -0.96 0.37 -1.10 -0.69 0.00 0.00 174.62 172.24 1wui s GLN 358 N 0.48 1.95 0.45 4.92 -0.21 -1.26 -4.87 119.66 121.12 1wui s GLN 358 Ca 0.19 -2.78 -0.25 0.00 0.02 0.00 0.00 55.36 52.54 1wui s GLN 358 Cb -0.21 -2.97 -0.08 0.00 1.00 0.00 0.00 33.01 30.75 1wui s GLN 358 CO -0.02 -1.23 1.43 -2.14 -2.12 0.00 0.00 175.29 171.21 1wui s PRO 359 N -0.66 3.68 -0.30 2.91 0.02 -1.26 -0.84 135.00 138.55 1wui s PRO 359 Ca 0.23 2.43 0.05 0.00 0.02 0.00 0.00 61.00 63.73 1wui s PRO 359 Cb -0.12 -2.66 0.19 0.00 0.02 0.00 0.00 34.50 31.93 1wui s PRO 359 CO -0.10 -0.82 0.56 0.21 -0.33 0.00 0.00 177.00 176.52 1wui s LYS 360 N -2.45 0.56 0.10 5.54 2.20 0.18 -4.66 119.74 121.20 1wui s LYS 360 Ca 0.61 0.39 -0.26 0.00 -0.36 0.00 0.00 55.97 56.35 1wui s LYS 360 Cb -0.44 0.13 -0.06 0.00 -1.51 0.00 0.00 37.83 35.95 1wui s LYS 360 CO 0.57 -1.06 0.81 -0.47 -0.36 0.00 0.00 175.35 174.83 1wui s TYR 361 N 2.68 3.81 0.00 4.03 5.04 -1.26 -3.47 117.35 128.17 1wui s TYR 361 Ca 0.11 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 1wui s TYR 361 Cb -0.10 -2.85 0.00 0.00 0.35 0.00 0.00 41.96 39.36 1wui s TYR 361 CO -0.25 0.34 0.69 0.25 -1.34 0.00 0.00 175.55 175.24 1wui n THR 362 N 2.42 0.47 -0.73 4.34 -2.24 -1.26 -5.10 114.28 112.18 1wui n THR 362 Ca -0.03 -0.59 0.10 0.00 -2.27 0.00 0.00 64.05 61.26 1wui n THR 362 Cb 0.49 0.86 -0.03 0.00 -2.10 0.00 0.00 70.33 69.55 1wui n THR 362 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1wui n ASP 363 N -0.24 -4.36 -4.64 3.42 4.64 -1.26 -3.63 116.55 110.48 1wui n ASP 363 Ca 0.00 0.44 -0.42 0.00 -1.38 0.00 0.00 54.79 53.43 1wui n ASP 363 Cb 0.24 -2.30 -0.03 0.00 -1.04 0.00 0.00 41.12 37.99 1wui n ASP 363 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 1wui s LEU 364 N -5.61 4.13 -0.42 -2.67 1.43 -1.26 -1.60 118.68 112.68 1wui s LEU 364 Ca 0.00 2.14 0.00 0.00 -1.03 0.00 0.00 54.13 55.24 1wui s LEU 364 Cb 0.00 -3.53 0.00 0.00 0.03 0.00 0.00 46.19 42.69 1wui s LEU 364 CO 0.00 -1.17 0.00 1.41 0.23 0.00 0.00 176.35 176.82 1wui n HIS 365 N 8.13 0.00 -2.03 0.29 8.25 0.42 -4.99 115.22 125.30 1wui n HIS 365 Ca 0.20 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.24 1wui n HIS 365 Cb 0.43 -1.56 -0.03 0.00 1.12 0.00 0.00 29.99 29.95 1wui n HIS 365 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1wui s GLY 366 N -2.27 1.67 -1.31 -1.41 0.00 -0.63 -2.08 107.32 101.30 1wui s GLY 366 Ca 0.00 1.12 -0.08 0.00 0.00 0.00 0.00 44.72 45.77 1wui s GLY 366 CO 0.00 2.73 0.47 1.34 0.00 0.00 0.00 173.10 177.63 1wui n ASP 367 N 5.29 -4.15 -2.40 1.64 4.64 -1.26 -1.75 116.55 118.56 1wui n ASP 367 Ca 0.15 -0.32 -0.19 0.00 -1.38 0.00 0.00 54.79 53.05 1wui n ASP 367 Cb 0.41 -3.42 0.01 0.00 -1.04 0.00 0.00 41.12 37.09 1wui n ASP 367 CO 0.00 0.00 0.00 -0.67 -0.82 0.00 0.00 177.20 175.71 1wui n ASP 368 N -2.29 -5.49 -4.36 1.67 4.64 -0.88 -4.93 116.55 104.92 1wui n ASP 368 Ca -0.04 -0.14 -0.32 0.00 -1.38 0.00 0.00 54.79 52.91 1wui n ASP 368 Cb 0.56 -4.43 -0.15 0.00 -1.04 0.00 0.00 41.12 36.06 1wui n ASP 368 CO 0.00 0.00 0.00 -0.13 -0.82 0.00 0.00 177.20 176.25 1wui s ARG 369 N -5.25 2.33 0.00 -0.67 0.52 -0.72 -4.39 118.95 110.77 1wui s ARG 369 Ca 0.14 -0.85 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1wui s ARG 369 Cb -0.06 -2.18 0.00 0.00 0.52 0.00 0.00 34.95 33.23 1wui s ARG 369 CO 0.17 0.55 0.53 2.48 0.02 0.00 0.00 175.30 179.05 1wui n TYR 370 N 2.50 0.00 -3.63 -0.53 4.11 -0.50 -0.43 117.16 118.68 1wui n TYR 370 Ca -0.17 0.00 -0.16 0.00 -0.00 0.00 0.00 57.90 57.58 1wui n TYR 370 Cb 0.52 0.09 -0.07 0.00 -0.00 0.00 0.00 39.34 39.87 1wui n TYR 370 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.86 177.31 1wui s SER 371 N -0.28 -0.48 0.09 9.48 0.15 -1.24 -4.19 113.70 117.23 1wui s SER 371 Ca 0.00 0.55 0.27 0.00 0.70 0.00 0.00 55.95 57.47 1wui s SER 371 Cb 0.00 0.55 1.04 0.00 -1.71 0.00 0.00 66.02 65.89 1wui s SER 371 CO 0.00 -0.49 1.84 0.79 1.20 0.00 0.00 173.24 176.58 1wui n TRP 372 N 1.31 0.38 -2.66 3.44 7.02 -0.62 -1.14 117.44 125.16 1wui n TRP 372 Ca -0.19 0.12 -0.40 0.00 -1.02 0.00 0.00 57.50 56.01 1wui n TRP 372 Cb 0.56 -0.69 -0.05 0.00 -2.42 0.00 0.00 31.31 28.71 1wui n TRP 372 CO 0.00 0.00 0.00 -1.64 -2.02 0.00 0.00 177.69 174.03 1wui s MET 373 N -3.05 4.73 0.98 -0.99 -1.94 -1.26 -4.80 119.30 112.98 1wui s MET 373 Ca 0.12 1.56 -0.12 0.00 -1.71 0.00 0.00 55.69 55.54 1wui s MET 373 Cb 0.16 -3.17 0.18 0.00 2.01 0.00 0.00 34.83 34.01 1wui s MET 373 CO 0.54 0.37 1.10 0.15 -0.01 0.00 0.00 175.02 177.17 1wui s LYS 374 N -1.42 0.54 -0.49 2.03 1.02 -1.26 -4.46 119.74 115.70 1wui s LYS 374 Ca 0.44 0.47 0.03 0.00 0.02 0.00 0.00 55.97 56.93 1wui s LYS 374 Cb -0.27 -1.75 0.13 0.00 -0.52 0.00 0.00 37.83 35.42 1wui s LYS 374 CO 0.33 -2.65 0.24 0.00 -0.92 0.00 0.00 175.35 172.36 1wui s ALA 375 N -3.02 3.26 0.27 5.17 0.00 -0.29 -4.25 121.76 122.90 1wui s ALA 375 Ca 0.65 -3.10 -0.29 0.00 0.00 0.00 0.00 51.96 49.22 1wui s ALA 375 Cb -0.18 -2.21 -0.09 0.00 0.00 0.00 0.00 23.12 20.64 1wui s ALA 375 CO 0.57 -1.96 1.20 -2.14 0.00 0.00 0.00 175.76 173.43 1wui s PRO 376 N 0.04 4.51 0.02 0.00 0.02 -1.26 -0.73 135.00 137.60 1wui s PRO 376 Ca 0.15 1.96 0.03 0.00 0.02 0.00 0.00 61.00 63.17 1wui s PRO 376 Cb -0.24 -3.16 -0.02 0.00 0.02 0.00 0.00 34.50 31.11 1wui s PRO 376 CO -0.02 0.00 -0.11 1.03 -0.33 0.00 0.00 177.00 177.57 1wui s ARG 377 N -1.25 0.77 -0.24 5.54 1.81 0.17 -4.65 118.95 121.10 1wui s ARG 377 Ca 0.48 -0.56 -0.02 0.00 -1.72 0.00 0.00 55.73 53.91 1wui s ARG 377 Cb -0.35 -0.72 0.01 0.00 -0.45 0.00 0.00 34.95 33.44 1wui s ARG 377 CO 0.44 0.18 -0.06 -0.47 -0.68 0.00 0.00 175.30 174.71 1wui s TYR 378 N -0.64 3.01 -1.32 -0.53 6.14 -0.46 -1.60 117.35 121.95 1wui s TYR 378 Ca 0.01 -1.33 -0.08 0.00 0.64 0.00 0.00 57.07 56.31 1wui s TYR 378 Cb -0.06 -2.07 0.05 0.00 0.42 0.00 0.00 41.96 40.30 1wui s TYR 378 CO 0.00 -0.67 0.47 -1.33 0.64 0.00 0.00 175.55 174.67 1wui n MET 379 N 4.72 -3.61 -0.64 4.97 2.81 -0.59 -0.88 117.12 123.90 1wui n MET 379 Ca -0.17 0.57 0.00 0.00 -1.81 0.00 0.00 57.70 56.29 1wui n MET 379 Cb 0.49 -5.30 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 1wui n MET 379 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1wui n GLY 380 N -1.21 1.35 3.77 3.03 0.00 -1.26 -5.03 105.19 105.83 1wui n GLY 380 Ca -0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 1wui n GLY 380 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1wui s GLU 381 N -0.14 2.97 0.07 1.61 0.41 -0.06 -4.96 118.70 118.60 1wui s GLU 381 Ca 0.00 -0.57 -0.30 0.00 -0.41 0.00 0.00 54.97 53.69 1wui s GLU 381 Cb 0.00 -2.79 -0.05 0.00 -1.78 0.00 0.00 34.13 29.51 1wui s GLU 381 CO 0.00 0.62 1.05 -1.25 -0.49 0.00 0.00 175.26 175.18 1wui s PRO 382 N -1.95 4.56 -0.12 0.39 0.04 -1.26 -1.36 135.00 135.30 1wui s PRO 382 Ca 0.25 1.56 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1wui s PRO 382 Cb -0.12 -3.38 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1wui s PRO 382 CO 0.16 -0.02 -0.17 -1.64 0.04 0.00 0.00 177.00 175.37 1wui s MET 383 N 0.58 2.45 0.28 4.56 -1.94 -1.26 -4.44 119.30 119.52 1wui s MET 383 Ca 0.52 -0.64 -0.29 0.00 -1.71 0.00 0.00 55.69 53.57 1wui s MET 383 Cb -0.25 -2.07 -0.10 0.00 2.01 0.00 0.00 34.83 34.42 1wui s MET 383 CO 0.30 -0.08 1.23 -2.00 -0.01 0.00 0.00 175.02 174.46 1wui s GLU 384 N 1.01 4.47 0.26 2.03 2.12 0.06 -4.23 118.70 124.44 1wui s GLU 384 Ca -0.05 2.02 0.03 0.00 0.36 0.00 0.00 54.97 57.33 1wui s GLU 384 Cb -0.15 -3.15 -0.06 0.00 0.26 0.00 0.00 34.13 31.04 1wui s GLU 384 CO -0.03 -0.06 0.03 -0.08 -0.54 0.00 0.00 175.26 174.59 1wui s THR 385 N -0.82 0.99 0.00 -1.70 -1.32 -1.26 -1.23 115.64 110.29 1wui s THR 385 Ca 0.49 -2.02 0.00 0.00 -1.21 0.00 0.00 61.69 58.95 1wui s THR 385 Cb -0.36 -2.54 0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1wui s THR 385 CO 0.45 -0.16 0.00 0.61 -2.21 0.00 0.00 174.62 173.31 1wui n GLY 386 N -0.51 -0.18 0.36 6.08 0.00 -1.03 -4.69 105.19 105.23 1wui n GLY 386 Ca -0.03 -2.22 0.04 0.00 0.00 0.00 0.00 46.02 43.81 1wui n GLY 386 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1wui h PRO 387 N 2.33 1.02 -0.58 1.61 0.11 -1.83 0.22 132.00 134.89 1wui h PRO 387 Ca 0.00 -0.06 -0.09 0.00 0.11 0.00 0.00 66.00 65.96 1wui h PRO 387 Cb 0.00 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.86 1wui h PRO 387 CO 0.00 0.67 0.02 1.25 -0.21 0.00 0.00 178.00 179.74 1wui h LEU 388 N 1.05 0.98 -0.36 2.35 5.85 -1.86 0.11 115.31 123.42 1wui h LEU 388 Ca 0.45 -0.30 -0.02 0.00 0.84 0.00 0.00 57.88 58.86 1wui h LEU 388 Cb 0.33 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 1wui h LEU 388 CO -0.22 1.03 0.16 0.00 -0.34 0.00 0.00 178.44 179.07 1wui h ALA 389 N 0.98 0.47 -0.23 1.25 0.00 -1.58 -0.64 119.26 119.51 1wui h ALA 389 Ca 0.17 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1wui h ALA 389 Cb 0.52 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1wui h ALA 389 CO 0.02 0.06 0.11 0.37 0.00 0.00 0.00 179.25 179.81 1wui h GLN 390 N 0.44 0.33 0.01 0.00 4.15 -0.77 -1.30 115.11 117.96 1wui h GLN 390 Ca 0.12 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 1wui h GLN 390 Cb 0.16 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 27.79 1wui h GLN 390 CO -0.01 0.33 -0.00 0.28 -1.93 0.00 0.00 178.83 177.49 1wui h VAL 391 N 0.24 1.16 -0.57 2.39 2.07 -0.97 -0.91 116.25 119.65 1wui h VAL 391 Ca 0.08 -0.49 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 1wui h VAL 391 Cb 0.11 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1wui h VAL 391 CO -0.01 0.13 -0.06 -0.07 0.02 0.00 0.00 177.57 177.58 1wui h LEU 392 N -0.22 1.04 -0.16 2.57 3.38 -1.08 0.14 115.31 120.99 1wui h LEU 392 Ca -0.00 -0.33 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 1wui h LEU 392 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 1wui h LEU 392 CO 0.00 1.13 -0.10 0.40 0.09 0.00 0.00 178.44 179.95 1wui h ILE 393 N 0.95 1.32 -0.59 1.22 2.04 -1.27 -1.96 117.51 119.23 1wui h ILE 393 Ca 0.16 -1.19 0.03 0.00 1.00 0.00 0.00 64.86 64.85 1wui h ILE 393 Cb 0.63 1.76 -0.04 0.00 -0.74 0.00 0.00 36.82 38.43 1wui h ILE 393 CO 0.04 0.35 0.36 0.00 0.00 0.00 0.00 178.15 178.90 1wui h ALA 394 N 0.65 0.76 -0.41 1.87 0.00 -0.99 -0.75 119.26 120.40 1wui h ALA 394 Ca 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 394 Cb 0.60 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 18.14 1wui h ALA 394 CO 0.03 0.08 -0.12 -0.92 0.00 0.00 0.00 179.25 178.32 1wui h TYR 395 N 0.70 -0.27 0.00 0.00 3.20 -0.65 -1.28 116.97 118.66 1wui h TYR 395 Ca 0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 1wui h TYR 395 Cb 0.03 0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.49 1wui h TYR 395 CO -0.06 -0.20 0.00 0.43 -1.64 0.00 0.00 178.16 176.69 1wui n SER 396 N -5.33 0.72 -0.40 -2.11 7.64 -0.74 -0.71 113.62 112.68 1wui n SER 396 Ca 0.02 0.64 0.14 0.00 1.01 0.00 0.00 58.87 60.68 1wui n SER 396 Cb 0.24 -0.80 0.57 0.00 -1.01 0.00 0.00 64.21 63.20 1wui n SER 396 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1wui n GLN 397 N -2.25 1.56 -0.70 1.43 6.02 -0.35 -4.94 117.38 118.14 1wui n GLN 397 Ca 0.03 -0.81 0.00 0.00 -0.01 0.00 0.00 57.00 56.21 1wui n GLN 397 Cb 0.30 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1wui n GLN 397 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1wui n GLY 398 N 1.13 0.60 3.63 1.08 0.00 0.11 -4.98 105.19 106.76 1wui n GLY 398 Ca 0.19 -0.48 -0.44 0.00 0.00 0.00 0.00 46.02 45.29 1wui n GLY 398 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1wui n HIS 399 N -2.70 2.25 0.05 1.61 -0.00 -0.57 -4.85 115.22 111.02 1wui n HIS 399 Ca 0.00 -0.22 -0.05 0.00 -0.00 0.00 0.00 57.72 57.46 1wui n HIS 399 Cb 0.00 -2.75 0.16 0.00 -0.00 0.00 0.00 29.99 27.40 1wui n HIS 399 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 1wui h PRO 400 N 12.15 0.37 -0.19 1.57 0.11 -1.93 -0.36 132.00 143.72 1wui h PRO 400 Ca -0.46 -0.19 -0.11 0.00 0.11 0.00 0.00 66.00 65.36 1wui h PRO 400 Cb 1.25 0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1wui h PRO 400 CO 0.95 0.74 -0.30 0.87 -0.21 0.00 0.00 178.00 180.05 1wui h LYS 401 N 0.30 0.54 -0.36 1.05 1.79 -1.99 -1.76 116.57 116.13 1wui h LYS 401 Ca 0.02 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.17 1wui h LYS 401 Cb 0.90 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.56 1wui h LYS 401 CO 0.07 0.93 0.23 0.28 -1.08 0.00 0.00 179.45 179.89 1wui h VAL 402 N 0.20 1.09 -0.54 0.50 2.07 -1.93 -1.88 116.25 115.76 1wui h VAL 402 Ca 0.02 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.31 1wui h VAL 402 Cb 0.88 0.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1wui h VAL 402 CO 0.07 0.09 0.16 0.50 0.02 0.00 0.00 177.57 178.41 1wui h LYS 403 N 0.48 0.84 -0.32 1.57 3.64 -0.99 -0.63 116.57 121.17 1wui h LYS 403 Ca 0.13 -0.18 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 1wui h LYS 403 Cb -0.05 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1wui h LYS 403 CO -0.03 0.78 0.17 0.00 -2.27 0.00 0.00 179.45 178.09 1wui h ALA 404 N 1.03 0.41 -0.29 5.00 0.00 -1.02 0.09 119.26 124.48 1wui h ALA 404 Ca 0.17 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 1wui h ALA 404 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1wui h ALA 404 CO -0.00 -0.05 -0.11 0.28 0.00 0.00 0.00 179.25 179.36 1wui h VAL 405 N 0.39 1.29 -0.57 0.00 2.07 -1.29 -2.05 116.25 116.09 1wui h VAL 405 Ca 0.11 -1.18 0.01 0.00 0.82 0.00 0.00 66.70 66.46 1wui h VAL 405 Cb 0.08 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1wui h VAL 405 CO -0.02 0.37 0.37 0.74 0.02 0.00 0.00 177.57 179.06 1wui h THR 406 N 0.34 1.14 -0.75 2.57 2.02 -0.95 -1.16 112.91 116.13 1wui h THR 406 Ca 0.07 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.94 1wui h THR 406 Cb 0.61 0.31 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1wui h THR 406 CO 0.04 0.14 0.27 0.44 0.37 0.00 0.00 175.52 176.78 1wui h ASP 407 N 0.76 1.05 -0.63 4.18 3.32 -0.96 0.40 116.42 124.54 1wui h ASP 407 Ca 0.21 -0.17 -0.08 0.00 0.02 0.00 0.00 57.03 57.00 1wui h ASP 407 Cb -0.09 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.17 1wui h ASP 407 CO -0.05 0.95 0.07 0.00 -1.72 0.00 0.00 179.24 178.50 1wui h ALA 408 N 1.19 0.92 -0.22 3.45 0.00 -0.92 -0.63 119.26 123.05 1wui h ALA 408 Ca 0.25 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1wui h ALA 408 Cb 0.25 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1wui h ALA 408 CO -0.02 0.66 0.09 0.28 0.00 0.00 0.00 179.25 180.27 1wui h VAL 409 N 1.00 1.16 -0.78 0.00 2.07 -0.81 -0.78 116.25 118.10 1wui h VAL 409 Ca 0.19 -0.47 -0.04 0.00 0.82 0.00 0.00 66.70 67.20 1wui h VAL 409 Cb 0.47 1.06 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1wui h VAL 409 CO 0.02 0.15 0.33 -0.07 0.02 0.00 0.00 177.57 178.02 1wui h LEU 410 N 0.21 1.07 -0.61 2.57 3.38 -0.66 -1.07 115.31 120.19 1wui h LEU 410 Ca 0.07 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 1wui h LEU 410 Cb 0.16 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.60 1wui h LEU 410 CO -0.01 0.94 0.30 0.00 0.09 0.00 0.00 178.44 179.75 1wui h ALA 411 N 1.17 0.78 -0.56 1.53 0.00 -0.98 -0.39 119.26 120.82 1wui h ALA 411 Ca 0.26 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 1wui h ALA 411 Cb 0.19 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1wui h ALA 411 CO -0.02 0.34 0.20 -0.22 0.00 0.00 0.00 179.25 179.55 1wui h LYS 412 N 0.83 0.85 0.00 0.00 1.63 -0.62 -2.45 116.57 116.81 1wui h LYS 412 Ca 0.21 -0.17 0.00 0.00 -0.85 0.00 0.00 60.65 59.84 1wui h LYS 412 Cb 0.11 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 1wui h LYS 412 CO -0.03 0.75 0.00 1.28 -3.45 0.00 0.00 179.45 178.00 1wui n LEU 413 N -4.48 0.11 -0.68 5.20 4.77 -0.45 -4.92 117.00 116.55 1wui n LEU 413 Ca 0.03 0.51 -0.06 0.00 -0.03 0.00 0.00 56.01 56.46 1wui n LEU 413 Cb 0.18 -0.48 -0.01 0.00 -2.33 0.00 0.00 43.42 40.78 1wui n LEU 413 CO 0.39 -0.06 -0.08 0.61 -1.33 0.00 0.00 177.39 176.92 1wui n GLY 414 N 1.27 0.20 3.36 -0.72 0.00 -0.19 -5.00 105.19 104.12 1wui n GLY 414 Ca 0.06 -0.64 -0.19 0.00 0.00 0.00 0.00 46.02 45.25 1wui n GLY 414 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1wui s VAL 415 N -2.30 1.64 0.67 1.61 -7.23 -0.99 -5.04 120.40 108.76 1wui s VAL 415 Ca 0.00 -2.17 0.01 0.00 -1.81 0.00 0.00 61.98 58.01 1wui s VAL 415 Cb 0.00 -2.15 0.10 0.00 0.56 0.00 0.00 36.38 34.89 1wui s VAL 415 CO 0.00 -0.52 0.92 -0.83 -0.31 0.00 0.00 175.10 174.37 1wui s GLY 416 N -3.34 1.77 0.54 2.32 0.00 -1.26 -4.57 107.32 102.77 1wui s GLY 416 Ca 0.24 -1.71 0.25 0.00 0.00 0.00 0.00 44.72 43.50 1wui s GLY 416 CO 0.08 -1.21 2.14 -0.56 0.00 0.00 0.00 173.10 173.55 1wui h PRO 417 N -0.32 0.00 -0.04 2.90 0.13 -2.01 -0.84 132.00 131.82 1wui h PRO 417 Ca -0.36 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.78 1wui h PRO 417 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 1wui h PRO 417 CO 0.42 0.07 0.05 0.93 -0.23 0.00 0.00 178.00 179.24 1wui h GLU 418 N 0.00 0.00 0.00 0.86 3.07 -2.01 -0.58 114.58 115.92 1wui h GLU 418 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1wui h GLU 418 Cb 0.16 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.07 1wui h GLU 418 CO 0.01 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 177.62 1wui h ALA 419 N 1.94 1.00 0.00 3.43 0.00 -1.49 -2.49 119.26 121.65 1wui h ALA 419 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1wui h ALA 419 Cb 0.11 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1wui h ALA 419 CO -0.00 0.00 0.00 -0.07 0.00 0.00 0.00 179.25 179.18 1wui h LEU 420 N 0.00 0.00 -6.32 0.00 3.38 -1.28 -3.33 115.31 107.76 1wui h LEU 420 Ca 0.00 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.22 1wui h LEU 420 Cb 0.28 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 40.90 1wui h LEU 420 CO 0.00 0.00 2.28 0.49 0.09 0.00 0.00 178.44 181.30 1wui n PHE 421 N -2.70 3.04 -3.69 1.13 3.72 -0.94 -3.86 117.46 114.16 1wui n PHE 421 Ca 0.01 -2.83 -0.02 0.00 -0.05 0.00 0.00 57.45 54.57 1wui n PHE 421 Cb 0.28 -2.07 -0.01 0.00 -0.94 0.00 0.00 39.48 36.73 1wui n PHE 421 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 176.76 175.17 1wui s SER 422 N 1.33 -0.15 0.22 4.37 1.04 -1.26 -3.82 113.70 115.44 1wui s SER 422 Ca 0.41 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.48 1wui s SER 422 Cb 0.11 0.36 0.24 0.00 0.10 0.00 0.00 66.02 66.83 1wui s SER 422 CO -0.02 -0.66 1.85 0.74 0.98 0.00 0.00 173.24 176.13 1wui h THR 423 N 2.00 1.07 -0.43 2.02 2.02 -0.71 0.75 112.91 119.64 1wui h THR 423 Ca -0.26 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 1wui h THR 423 Cb 1.22 0.10 -0.02 0.00 -1.74 0.00 0.00 68.15 67.71 1wui h THR 423 CO 0.27 0.16 0.17 0.25 0.37 0.00 0.00 175.52 176.74 1wui h LEU 424 N 0.89 0.59 -0.47 2.58 6.46 -1.71 -2.23 115.31 121.42 1wui h LEU 424 Ca 0.32 -0.16 0.07 0.00 -0.12 0.00 0.00 57.88 57.98 1wui h LEU 424 Cb 0.08 -0.15 -0.06 0.00 -0.73 0.00 0.00 40.66 39.80 1wui h LEU 424 CO -0.14 0.59 0.13 1.23 -0.62 0.00 0.00 178.44 179.63 1wui h GLY 425 N 0.54 0.59 1.10 3.75 0.00 -1.57 0.09 103.07 107.58 1wui h GLY 425 Ca 0.14 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.32 1wui h GLY 425 CO -0.01 -0.03 0.01 -0.09 0.00 0.00 0.00 176.54 176.42 1wui h ARG 426 N 0.28 1.07 -0.49 4.80 2.43 -0.72 0.96 114.38 122.71 1wui h ARG 426 Ca 0.23 -0.33 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 1wui h ARG 426 Cb 0.27 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1wui h ARG 426 CO -0.27 1.04 0.17 1.15 -1.51 0.00 0.00 179.97 180.55 1wui h THR 427 N 0.98 1.22 -0.60 0.20 2.02 -1.01 -1.73 112.91 114.00 1wui h THR 427 Ca 0.18 -0.73 -0.00 0.00 0.77 0.00 0.00 66.41 66.63 1wui h THR 427 Cb 0.55 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.70 1wui h THR 427 CO 0.03 0.27 0.37 0.00 0.37 0.00 0.00 175.52 176.56 1wui h ALA 428 N 1.02 0.76 -0.78 6.16 0.00 -0.70 -2.86 119.26 122.86 1wui h ALA 428 Ca 0.16 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1wui h ALA 428 Cb 0.25 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 1wui h ALA 428 CO -0.01 0.22 0.51 0.00 0.00 0.00 0.00 179.25 179.98 1wui h ALA 429 N 1.19 1.48 -0.60 0.00 0.00 -0.52 -0.08 119.26 120.73 1wui h ALA 429 Ca 0.21 -0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1wui h ALA 429 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 1wui h ALA 429 CO -0.04 0.46 0.35 -0.09 0.00 0.00 0.00 179.25 179.93 1wui h ARG 430 N 1.01 0.65 -0.27 0.00 2.43 -1.10 -0.20 114.38 116.90 1wui h ARG 430 Ca 0.29 -0.04 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 1wui h ARG 430 Cb -0.06 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.33 1wui h ARG 430 CO -0.07 0.43 0.12 0.78 -1.51 0.00 0.00 179.97 179.72 1wui h GLY 431 N 0.67 0.42 0.35 2.80 0.00 -1.14 -2.14 103.07 104.04 1wui h GLY 431 Ca 0.25 -0.22 0.05 0.00 0.00 0.00 0.00 47.33 47.42 1wui h GLY 431 CO -0.13 0.21 -0.16 -2.22 0.00 0.00 0.00 176.54 174.24 1wui h ILE 432 N 0.29 0.56 -0.42 2.60 2.04 -0.67 -0.80 117.51 121.11 1wui h ILE 432 Ca 0.09 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.90 1wui h ILE 432 Cb 0.14 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.76 1wui h ILE 432 CO -0.01 0.00 0.03 -0.08 0.00 0.00 0.00 178.15 178.09 1wui h GLU 433 N -0.16 0.66 -0.39 2.37 4.81 -1.01 -1.00 114.58 119.85 1wui h GLU 433 Ca 0.12 -0.15 0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1wui h GLU 433 Cb 0.34 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.61 1wui h GLU 433 CO -0.30 0.66 0.26 1.15 -0.73 0.00 0.00 179.01 180.04 1wui h THR 434 N 0.63 1.09 -0.34 0.32 2.02 -0.67 0.63 112.91 116.60 1wui h THR 434 Ca 0.13 -0.18 -0.03 0.00 0.77 0.00 0.00 66.41 67.11 1wui h THR 434 Cb 0.35 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.27 1wui h THR 434 CO 0.01 0.10 0.11 0.00 0.37 0.00 0.00 175.52 176.10 1wui h ALA 435 N 1.15 0.44 -0.39 6.16 0.00 -0.71 0.61 119.26 126.52 1wui h ALA 435 Ca 0.14 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wui h ALA 435 Cb -0.05 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1wui h ALA 435 CO -0.04 0.07 0.13 0.28 0.00 0.00 0.00 179.25 179.70 1wui h VAL 436 N 0.39 1.21 -0.24 0.00 2.07 -1.03 -2.37 116.25 116.28 1wui h VAL 436 Ca 0.11 -0.67 -0.13 0.00 0.82 0.00 0.00 66.70 66.82 1wui h VAL 436 Cb 0.24 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1wui h VAL 436 CO -0.00 0.24 -0.41 0.40 0.02 0.00 0.00 177.57 177.82 1wui h ILE 437 N 0.48 1.30 -0.72 4.57 2.04 -0.78 -0.74 117.51 123.65 1wui h ILE 437 Ca 0.13 -1.57 0.04 0.00 1.00 0.00 0.00 64.86 64.45 1wui h ILE 437 Cb 0.24 1.55 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 1wui h ILE 437 CO -0.01 0.50 0.45 0.00 0.00 0.00 0.00 178.15 179.09 1wui h ALA 438 N 1.08 0.96 -0.32 1.87 0.00 -0.69 0.06 119.26 122.21 1wui h ALA 438 Ca 0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1wui h ALA 438 Cb 0.91 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1wui h ALA 438 CO 0.08 0.21 0.05 1.49 0.00 0.00 0.00 179.25 181.08 1wui h GLU 439 N 0.86 0.54 0.00 0.00 4.81 -1.18 -3.23 114.58 116.38 1wui h GLU 439 Ca 0.30 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.33 1wui h GLU 439 Cb 0.06 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1wui h GLU 439 CO -0.13 0.63 -0.24 -0.92 -0.73 0.00 0.00 179.01 177.62 1wui h TYR 440 N 0.37 0.00 -0.85 0.92 3.20 -0.35 -1.61 116.97 118.65 1wui h TYR 440 Ca 0.10 0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1wui h TYR 440 Cb 0.35 0.00 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 1wui h TYR 440 CO 0.02 0.24 0.55 0.28 -1.64 0.00 0.00 178.16 177.61 1wui h VAL 441 N 0.00 0.91 -0.57 1.81 2.07 -1.03 -0.63 116.25 118.82 1wui h VAL 441 Ca -0.00 -0.26 -0.07 0.00 0.82 0.00 0.00 66.70 67.19 1wui h VAL 441 Cb 0.45 0.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 1wui h VAL 441 CO 0.03 0.14 0.08 1.23 0.02 0.00 0.00 177.57 179.06 1wui h GLY 442 N 0.74 1.00 0.74 2.17 0.00 -1.40 0.78 103.07 107.10 1wui h GLY 442 Ca 0.40 -0.64 -0.00 0.00 0.00 0.00 0.00 47.33 47.09 1wui h GLY 442 CO -0.17 0.60 -0.02 -2.08 0.00 0.00 0.00 176.54 174.87 1wui h VAL 443 N 0.87 1.16 -0.78 4.60 2.07 -1.19 -1.61 116.25 121.36 1wui h VAL 443 Ca 0.18 -0.60 0.08 0.00 0.82 0.00 0.00 66.70 67.17 1wui h VAL 443 Cb 0.41 1.56 -0.07 0.00 -1.52 0.00 0.00 31.29 31.67 1wui h VAL 443 CO 0.01 0.15 0.45 0.24 0.02 0.00 0.00 177.57 178.44 1wui h MET 444 N -0.31 0.76 -0.59 1.57 2.86 -1.00 -0.95 114.93 117.27 1wui h MET 444 Ca -0.00 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1wui h MET 444 Cb 0.29 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 1wui h MET 444 CO 0.01 0.50 0.38 1.25 1.06 0.00 0.00 176.91 180.11 1wui h LEU 445 N 0.78 0.69 -0.56 1.22 5.85 -0.73 -0.21 115.31 122.35 1wui h LEU 445 Ca 0.37 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 59.04 1wui h LEU 445 Cb 0.29 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 1wui h LEU 445 CO -0.22 0.52 0.30 -0.61 -0.34 0.00 0.00 178.44 178.09 1wui h GLN 446 N 0.80 0.78 -0.79 1.25 5.75 -0.87 -0.67 115.11 121.37 1wui h GLN 446 Ca 0.21 -0.10 0.02 0.00 -0.15 0.00 0.00 58.65 58.64 1wui h GLN 446 Cb -0.06 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.29 1wui h GLN 446 CO -0.04 0.61 0.51 0.93 -2.65 0.00 0.00 178.83 178.18 1wui h GLU 447 N 0.75 0.98 0.09 1.69 5.08 -0.79 0.36 114.58 122.73 1wui h GLU 447 Ca 0.20 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.49 1wui h GLU 447 Cb 0.06 -0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.09 1wui h GLU 447 CO -0.03 0.65 -0.04 -0.92 -1.00 0.00 0.00 179.01 177.66 1wui h TYR 448 N 1.01 -0.11 -0.70 4.33 -0.00 -0.78 -0.59 116.97 120.13 1wui h TYR 448 Ca 0.31 -0.00 0.12 0.00 -0.00 0.00 0.00 58.73 59.15 1wui h TYR 448 Cb -0.03 0.04 -0.08 0.00 -0.00 0.00 0.00 36.73 36.65 1wui h TYR 448 CO -0.03 -0.00 0.28 0.87 -0.00 0.00 0.00 178.16 179.29 1wui h LYS 449 N -0.19 0.45 -0.64 1.82 1.57 -0.87 -1.29 116.57 117.42 1wui h LYS 449 Ca -0.01 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1wui h LYS 449 Cb 0.16 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.34 1wui h LYS 449 CO 0.02 0.30 0.27 -0.44 -0.57 0.00 0.00 179.45 179.02 1wui h ASP 450 N 0.46 0.84 -0.32 0.86 3.45 -0.59 -0.89 116.42 120.22 1wui h ASP 450 Ca 0.37 -0.11 -0.16 0.00 0.43 0.00 0.00 57.03 57.56 1wui h ASP 450 Cb 0.50 -0.22 -0.00 0.00 -0.56 0.00 0.00 39.33 39.05 1wui h ASP 450 CO -0.35 0.74 -0.43 -1.13 -1.57 0.00 0.00 179.24 176.50 1wui h ASN 451 N 0.91 0.94 -0.80 6.45 -0.73 -0.34 -2.23 115.58 119.78 1wui h ASN 451 Ca 0.22 -0.50 0.01 0.00 1.87 0.00 0.00 56.30 57.89 1wui h ASN 451 Cb 0.16 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.44 1wui h ASN 451 CO -0.02 1.25 0.52 0.40 -0.37 0.00 0.00 177.43 179.21 1wui h ILE 452 N 0.65 1.21 0.00 2.57 2.04 -0.97 -2.50 117.51 120.51 1wui h ILE 452 Ca 0.04 -0.40 -0.03 0.00 1.00 0.00 0.00 64.86 65.47 1wui h ILE 452 Cb 1.03 0.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 1wui h ILE 452 CO 0.10 0.20 -0.14 0.00 0.00 0.00 0.00 178.15 178.32 1wui h ALA 453 N 1.29 1.15 0.00 1.87 0.00 -0.86 -0.13 119.26 122.57 1wui h ALA 453 Ca 0.29 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1wui h ALA 453 Cb -0.11 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1wui h ALA 453 CO -0.06 0.17 0.00 1.63 0.00 0.00 0.00 179.25 180.99 1wui n LYS 454 N -3.47 0.36 -0.13 0.00 5.02 -0.87 -4.89 118.16 114.19 1wui n LYS 454 Ca -0.01 0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1wui n LYS 454 Cb 0.30 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 1wui n LYS 454 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1wui n GLY 455 N 0.74 0.93 3.50 0.72 0.00 -0.06 -5.04 105.19 105.98 1wui n GLY 455 Ca 0.12 -0.03 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1wui n GLY 455 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1wui s ASP 456 N -2.02 6.32 -0.11 1.61 2.15 -1.10 -4.86 116.67 118.66 1wui s ASP 456 Ca 0.00 -0.47 0.14 0.00 0.43 0.00 0.00 52.55 52.66 1wui s ASP 456 Cb 0.00 -2.39 0.38 0.00 -0.30 0.00 0.00 42.92 40.61 1wui s ASP 456 CO 0.00 -1.10 1.29 -0.46 -0.17 0.00 0.00 175.17 174.73 1wui n ASN 457 N 7.03 3.20 -4.76 -0.34 2.04 -1.26 -4.18 115.26 116.98 1wui n ASN 457 Ca -0.00 -2.71 -0.39 0.00 -0.44 0.00 0.00 54.58 51.05 1wui n ASN 457 Cb 0.47 -0.40 -0.06 0.00 -2.53 0.00 0.00 39.78 37.26 1wui n ASN 457 CO 0.00 0.00 0.00 -0.69 -0.44 0.00 0.00 177.26 176.13 1wui s VAL 458 N -2.25 4.96 0.00 3.53 1.01 -1.26 -4.97 120.40 121.42 1wui s VAL 458 Ca 0.32 1.16 0.00 0.00 0.00 0.00 0.00 61.98 63.46 1wui s VAL 458 Cb 0.25 -3.89 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1wui s VAL 458 CO 0.08 0.42 0.06 2.30 0.00 0.00 0.00 175.10 177.97 1wui n ILE 459 N 2.75 0.00 -3.81 2.22 -5.35 -1.26 -4.17 119.36 109.74 1wui n ILE 459 Ca -0.08 -0.32 -0.12 0.00 -0.27 0.00 0.00 62.75 61.96 1wui n ILE 459 Cb 0.51 1.07 -0.11 0.00 -1.74 0.00 0.00 39.64 39.37 1wui n ILE 459 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1wui s ALA 461 N -0.24 2.74 0.64 0.00 0.00 -0.14 -4.90 121.76 119.87 1wui s ALA 461 Ca -0.03 -1.19 -0.14 0.00 0.00 0.00 0.00 51.96 50.60 1wui s ALA 461 Cb -0.03 -0.82 -0.01 0.00 0.00 0.00 0.00 23.12 22.25 1wui s ALA 461 CO 0.01 0.59 1.07 -1.25 0.00 0.00 0.00 175.76 176.18 1wui s PRO 462 N -1.64 3.07 0.23 0.00 0.04 -1.26 -4.52 135.00 130.93 1wui s PRO 462 Ca 0.16 1.18 -0.21 0.00 0.04 0.00 0.00 61.00 62.18 1wui s PRO 462 Cb -0.11 -2.00 0.03 0.00 0.04 0.00 0.00 34.50 32.47 1wui s PRO 462 CO 0.08 -1.01 0.65 1.67 0.04 0.00 0.00 177.00 178.43 1wui s TRP 463 N -2.59 -0.24 0.01 0.56 1.48 -1.26 -4.94 118.94 111.96 1wui s TRP 463 Ca 0.63 -0.13 0.04 0.00 -1.06 0.00 0.00 56.10 55.57 1wui s TRP 463 Cb -0.16 0.60 -0.01 0.00 -1.16 0.00 0.00 33.47 32.73 1wui s TRP 463 CO 0.43 -1.08 -0.12 -1.21 -4.06 0.00 0.00 176.95 170.91 1wui s GLU 464 N -3.87 0.88 -0.21 3.25 2.02 -1.26 -5.12 118.70 114.38 1wui s GLU 464 Ca 0.09 -0.52 -0.28 0.00 0.02 0.00 0.00 54.97 54.28 1wui s GLU 464 Cb -0.04 -0.85 0.00 0.00 0.10 0.00 0.00 34.13 33.34 1wui s GLU 464 CO 0.01 0.22 0.99 1.41 0.02 0.00 0.00 175.26 177.91 1wui s MET 465 N -0.58 4.27 0.63 1.61 -2.45 -1.26 -4.84 119.30 116.67 1wui s MET 465 Ca 0.03 1.28 -0.15 0.00 -1.25 0.00 0.00 55.69 55.59 1wui s MET 465 Cb -0.06 -3.63 -0.02 0.00 1.25 0.00 0.00 34.83 32.38 1wui s MET 465 CO 0.00 -0.56 1.08 -1.25 1.05 0.00 0.00 175.02 175.34 1wui s PRO 466 N 2.96 3.06 0.12 4.11 0.04 -1.26 -4.96 135.00 139.07 1wui s PRO 466 Ca 0.43 1.30 -0.07 0.00 0.04 0.00 0.00 61.00 62.70 1wui s PRO 466 Cb -0.15 -1.99 -0.10 0.00 0.04 0.00 0.00 34.50 32.29 1wui s PRO 466 CO 0.08 -1.03 1.31 0.87 0.04 0.00 0.00 177.00 178.27 1wui h LYS 467 N 0.24 0.52 -4.32 4.56 1.79 -1.93 -3.35 116.57 114.07 1wui h LYS 467 Ca -0.47 -0.51 -0.47 0.00 -2.18 0.00 0.00 60.65 57.02 1wui h LYS 467 Cb 1.23 0.13 -0.34 0.00 -1.58 0.00 0.00 32.23 31.68 1wui h LYS 467 CO 0.56 1.14 -0.80 -1.14 -1.08 0.00 0.00 179.45 178.13 1wui s GLN 468 N -3.41 1.35 0.08 3.15 0.74 -1.26 -0.68 119.66 119.62 1wui s GLN 468 Ca -0.07 -0.28 -0.27 0.00 0.05 0.00 0.00 55.36 54.79 1wui s GLN 468 Cb 0.09 -1.20 0.08 0.00 1.10 0.00 0.00 33.01 33.08 1wui s GLN 468 CO 0.88 -0.03 0.86 0.00 -0.55 0.00 0.00 175.29 176.45 1wui s ALA 469 N 0.83 -1.72 0.05 1.58 0.00 -0.96 -4.98 121.76 116.57 1wui s ALA 469 Ca -0.12 0.62 0.09 0.00 0.00 0.00 0.00 51.96 52.55 1wui s ALA 469 Cb -0.15 0.57 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 1wui s ALA 469 CO 0.02 -0.82 -0.25 -1.21 0.00 0.00 0.00 175.76 173.50 1wui s GLU 470 N -3.29 1.65 0.07 0.00 2.02 -1.26 -0.19 118.70 117.71 1wui s GLU 470 Ca 0.07 -1.09 -0.07 0.00 0.02 0.00 0.00 54.97 53.90 1wui s GLU 470 Cb -0.01 -1.85 -0.01 0.00 0.10 0.00 0.00 34.13 32.36 1wui s GLU 470 CO -0.06 0.47 0.13 0.20 0.02 0.00 0.00 175.26 176.02 1wui s GLY 471 N -1.30 0.19 -0.05 -1.39 0.00 -0.28 -4.37 107.32 100.11 1wui s GLY 471 Ca 0.11 -0.74 -0.08 0.00 0.00 0.00 0.00 44.72 44.01 1wui s GLY 471 CO 0.02 -0.90 0.20 0.54 0.00 0.00 0.00 173.10 172.96 1wui s VAL 472 N -3.68 0.02 -0.03 1.40 0.11 -1.25 -1.03 120.40 115.93 1wui s VAL 472 Ca 0.04 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.95 1wui s VAL 472 Cb 0.05 -0.35 -0.01 0.00 -1.53 0.00 0.00 36.38 34.54 1wui s VAL 472 CO -0.10 -0.11 -0.19 -0.83 -3.33 0.00 0.00 175.10 170.55 1wui s GLY 473 N -0.34 0.95 -0.09 6.54 0.00 -0.03 -4.26 107.32 110.09 1wui s GLY 473 Ca -0.04 -0.77 0.04 0.00 0.00 0.00 0.00 44.72 43.95 1wui s GLY 473 CO 0.01 -0.52 -0.24 -1.36 0.00 0.00 0.00 173.10 170.99 1wui s PHE 474 N -0.19 2.50 -0.03 1.90 0.40 -1.26 -1.56 117.98 119.74 1wui s PHE 474 Ca 0.01 -0.99 0.03 0.00 -0.60 0.00 0.00 56.93 55.38 1wui s PHE 474 Cb -0.10 -1.67 0.00 0.00 0.51 0.00 0.00 43.02 41.76 1wui s PHE 474 CO 0.01 -0.39 -0.11 0.08 0.70 0.00 0.00 175.22 175.51 1wui s VAL 475 N 0.29 0.96 -0.54 -0.44 1.01 -0.15 -4.96 120.40 116.58 1wui s VAL 475 Ca -0.17 -0.46 -0.19 0.00 0.00 0.00 0.00 61.98 61.16 1wui s VAL 475 Cb -0.17 -0.85 0.08 0.00 0.00 0.00 0.00 36.38 35.44 1wui s VAL 475 CO 0.08 0.29 0.65 0.21 0.00 0.00 0.00 175.10 176.33 1wui s ASN 476 N 0.15 6.21 0.79 3.32 3.84 -1.21 -0.24 114.94 127.80 1wui s ASN 476 Ca -0.03 -1.13 -0.07 0.00 0.21 0.00 0.00 52.86 51.84 1wui s ASN 476 Cb -0.09 -2.29 0.14 0.00 -0.55 0.00 0.00 41.25 38.45 1wui s ASN 476 CO 0.01 -0.97 1.10 0.00 -2.79 0.00 0.00 177.10 174.45 1wui s ALA 477 N 2.63 3.10 0.63 1.71 0.00 0.56 -4.88 121.76 125.51 1wui s ALA 477 Ca 0.13 -1.38 0.34 0.00 0.00 0.00 0.00 51.96 51.05 1wui s ALA 477 Cb -0.21 -2.39 1.90 0.00 0.00 0.00 0.00 23.12 22.42 1wui s ALA 477 CO 0.10 -1.74 2.17 -1.35 0.00 0.00 0.00 175.76 174.93 1wui h PRO 478 N -0.91 0.00 -0.20 0.00 0.11 -1.96 -0.58 132.00 128.47 1wui h PRO 478 Ca -0.41 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 1wui h PRO 478 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1wui h PRO 478 CO 0.44 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.77 1wui n ARG 479 N -3.43 1.91 0.00 1.05 1.74 -1.26 -4.26 116.66 112.41 1wui n ARG 479 Ca -0.01 -1.83 0.00 0.00 -0.77 0.00 0.00 57.85 55.24 1wui n ARG 479 Cb 0.23 -1.37 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 1wui n ARG 479 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1wui n GLY 480 N 1.04 0.43 3.62 -0.13 0.00 -0.23 -2.47 105.19 107.45 1wui n GLY 480 Ca 0.13 -2.00 -0.43 0.00 0.00 0.00 0.00 46.02 43.72 1wui n GLY 480 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1wui s GLY 481 N 0.00 1.31 -0.14 -0.02 0.00 -1.26 -0.32 107.32 106.88 1wui s GLY 481 Ca 0.00 -0.09 -0.05 0.00 0.00 0.00 0.00 44.72 44.58 1wui s GLY 481 CO 0.00 2.57 0.01 -2.27 0.00 0.00 0.00 173.10 173.41 1wui s LEU 482 N 4.61 3.56 -0.01 0.66 2.96 0.67 -3.38 118.68 127.75 1wui s LEU 482 Ca 0.55 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 54.50 1wui s LEU 482 Cb -0.14 -1.86 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1wui s LEU 482 CO 0.27 0.24 -0.01 -0.94 -1.32 0.00 0.00 176.35 174.58 1wui s SER 483 N -0.02 0.25 -0.06 3.68 1.04 -0.56 -0.97 113.70 117.06 1wui s SER 483 Ca 0.04 -0.03 0.05 0.00 0.48 0.00 0.00 55.95 56.48 1wui s SER 483 Cb -0.13 -0.06 -0.02 0.00 0.10 0.00 0.00 66.02 65.91 1wui s SER 483 CO 0.02 -0.01 -0.20 -1.00 0.98 0.00 0.00 173.24 173.03 1wui s HIS 484 N 0.22 2.57 -0.08 5.02 3.76 -0.60 -1.03 115.29 125.14 1wui s HIS 484 Ca -0.02 -0.49 0.00 0.00 -0.15 0.00 0.00 55.06 54.40 1wui s HIS 484 Cb -0.04 -1.63 0.02 0.00 1.11 0.00 0.00 32.58 32.04 1wui s HIS 484 CO -0.01 -0.06 -0.06 -1.58 -0.85 0.00 0.00 174.74 172.18 1wui s TRP 485 N -0.33 1.15 0.03 1.40 0.52 0.04 -0.85 118.94 120.91 1wui s TRP 485 Ca 0.02 -0.47 0.08 0.00 0.02 0.00 0.00 56.10 55.75 1wui s TRP 485 Cb -0.13 -1.00 -0.03 0.00 -1.15 0.00 0.00 33.47 31.17 1wui s TRP 485 CO 0.02 -0.37 -0.25 -1.50 0.02 0.00 0.00 176.95 174.88 1wui s ILE 486 N 1.43 1.99 -0.25 2.03 2.07 -0.20 -0.86 121.20 127.42 1wui s ILE 486 Ca -0.02 -1.26 -0.00 0.00 -1.41 0.00 0.00 60.65 57.96 1wui s ILE 486 Cb -0.13 -1.70 0.04 0.00 0.13 0.00 0.00 42.46 40.80 1wui s ILE 486 CO -0.04 0.39 -0.08 -0.13 -1.91 0.00 0.00 174.94 173.18 1wui s ARG 487 N -1.04 2.63 -0.09 3.50 1.81 -0.08 -1.12 118.95 124.56 1wui s ARG 487 Ca 0.10 -1.11 -0.19 0.00 -1.72 0.00 0.00 55.73 52.82 1wui s ARG 487 Cb -0.10 -2.96 -0.04 0.00 -0.45 0.00 0.00 34.95 31.40 1wui s ARG 487 CO 0.01 -0.46 0.52 0.42 -0.68 0.00 0.00 175.30 175.10 1wui s ILE 488 N 1.25 5.13 -0.04 1.52 1.01 0.74 -0.22 121.20 130.60 1wui s ILE 488 Ca -0.03 1.04 0.00 0.00 0.00 0.00 0.00 60.65 61.67 1wui s ILE 488 Cb -0.18 -3.85 0.03 0.00 0.01 0.00 0.00 42.46 38.47 1wui s ILE 488 CO -0.05 0.34 -0.01 -0.70 0.00 0.00 0.00 174.94 174.52 1wui s GLU 489 N 0.47 0.53 -1.28 2.79 2.56 0.00 -2.26 118.70 121.50 1wui s GLU 489 Ca 0.28 0.02 -0.05 0.00 0.00 0.00 0.00 54.97 55.22 1wui s GLU 489 Cb -0.16 -0.69 0.03 0.00 2.00 0.00 0.00 34.13 35.32 1wui s GLU 489 CO 0.12 -0.15 0.35 -3.47 -0.56 0.00 0.00 175.26 171.56 1wui n ASP 490 N 4.30 -4.32 0.00 -1.70 4.64 -0.10 -1.20 116.55 118.16 1wui n ASP 490 Ca -0.22 -0.18 0.00 0.00 -1.38 0.00 0.00 54.79 53.01 1wui n ASP 490 Cb 0.50 -3.58 0.00 0.00 -1.04 0.00 0.00 41.12 37.00 1wui n ASP 490 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1wui n GLY 491 N -1.13 0.56 3.72 0.27 0.00 0.14 -4.97 105.19 103.79 1wui n GLY 491 Ca -0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.69 1wui n GLY 491 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wui s LYS 492 N -0.39 2.18 -0.41 1.61 -0.14 -0.34 -4.46 119.74 117.78 1wui s LYS 492 Ca 0.00 -1.88 -0.28 0.00 -1.36 0.00 0.00 55.97 52.44 1wui s LYS 492 Cb 0.00 -1.93 0.00 0.00 -1.68 0.00 0.00 37.83 34.22 1wui s LYS 492 CO 0.00 -0.10 1.55 0.42 -0.76 0.00 0.00 175.35 176.46 1wui s ILE 493 N -2.62 3.74 -0.07 2.17 1.01 -0.05 -0.82 121.20 124.56 1wui s ILE 493 Ca 0.40 0.73 -0.24 0.00 0.00 0.00 0.00 60.65 61.54 1wui s ILE 493 Cb 0.05 -4.04 -0.29 0.00 0.01 0.00 0.00 42.46 38.19 1wui s ILE 493 CO 0.22 -0.70 0.88 1.23 0.00 0.00 0.00 174.94 176.57 1wui h GLY 494 N 12.92 0.24 -5.31 6.18 0.00 -0.86 0.11 103.07 116.35 1wui h GLY 494 Ca -0.29 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.29 1wui h GLY 494 CO 1.08 0.52 -0.40 0.21 0.00 0.00 0.00 176.54 177.96 1wui s ASN 495 N -6.71 -0.28 -0.05 0.19 3.84 -0.85 -4.82 114.94 106.26 1wui s ASN 495 Ca -0.15 0.52 -0.01 0.00 0.21 0.00 0.00 52.86 53.43 1wui s ASN 495 Cb -0.00 0.55 0.03 0.00 -0.55 0.00 0.00 41.25 41.27 1wui s ASN 495 CO 0.79 -0.11 0.03 0.12 -2.79 0.00 0.00 177.10 175.13 1wui s PHE 496 N 0.08 0.37 -0.07 0.43 2.19 -1.26 -0.90 117.98 118.83 1wui s PHE 496 Ca -0.01 0.03 0.03 0.00 0.33 0.00 0.00 56.93 57.31 1wui s PHE 496 Cb -0.02 -0.62 0.01 0.00 -1.31 0.00 0.00 43.02 41.07 1wui s PHE 496 CO 0.01 -0.25 -0.16 -0.65 1.83 0.00 0.00 175.22 176.00 1wui s GLN 497 N 1.95 2.00 -0.16 10.12 -1.52 -0.04 -4.68 119.66 127.33 1wui s GLN 497 Ca 0.03 -0.54 -0.07 0.00 -1.95 0.00 0.00 55.36 52.83 1wui s GLN 497 Cb -0.12 -1.62 -0.04 0.00 -0.22 0.00 0.00 33.01 31.01 1wui s GLN 497 CO -0.04 0.09 0.08 -0.51 -0.25 0.00 0.00 175.29 174.67 1wui s LEU 498 N 0.49 3.96 -0.24 2.90 1.02 -1.26 -0.78 118.68 124.78 1wui s LEU 498 Ca -0.14 0.19 0.01 0.00 0.02 0.00 0.00 54.13 54.21 1wui s LEU 498 Cb -0.16 -1.99 0.06 0.00 0.02 0.00 0.00 46.19 44.13 1wui s LEU 498 CO 0.05 0.24 -0.06 -0.69 0.02 0.00 0.00 176.35 175.91 1wui s VAL 499 N -0.04 1.65 0.17 -1.59 1.01 -0.20 -5.03 120.40 116.38 1wui s VAL 499 Ca 0.07 -1.32 0.08 0.00 0.00 0.00 0.00 61.98 60.81 1wui s VAL 499 Cb -0.12 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 1wui s VAL 499 CO 0.01 -0.10 -0.05 -0.69 0.00 0.00 0.00 175.10 174.26 1wui s VAL 500 N 1.33 3.44 0.20 2.92 1.01 -1.26 -1.50 120.40 126.55 1wui s VAL 500 Ca -0.06 -1.53 -0.11 0.00 0.00 0.00 0.00 61.98 60.29 1wui s VAL 500 Cb -0.19 -2.71 0.14 0.00 0.00 0.00 0.00 36.38 33.62 1wui s VAL 500 CO -0.06 -0.10 1.72 -0.65 0.00 0.00 0.00 175.10 176.01 1wui h PRO 501 N 2.86 0.28 0.00 2.72 0.11 -1.83 0.42 132.00 136.56 1wui h PRO 501 Ca -0.47 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.60 1wui h PRO 501 Cb 1.20 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1wui h PRO 501 CO 0.56 0.18 -0.09 0.77 -0.21 0.00 0.00 178.00 179.21 1wui h SER 502 N 0.29 0.00 -0.17 -2.05 0.02 -1.90 -1.42 113.55 108.32 1wui h SER 502 Ca 0.30 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.24 1wui h SER 502 Cb 0.41 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.95 1wui h SER 502 CO -0.36 0.09 0.08 0.74 -1.14 0.00 0.00 176.83 176.24 1wui h THR 503 N 0.00 1.14 -0.04 -2.27 2.02 -1.12 0.98 112.91 113.61 1wui h THR 503 Ca -0.00 -0.40 0.03 0.00 0.77 0.00 0.00 66.41 66.81 1wui h THR 503 Cb 0.39 1.10 -0.03 0.00 -1.74 0.00 0.00 68.15 67.86 1wui h THR 503 CO 0.01 0.13 -0.15 -0.50 0.37 0.00 0.00 175.52 175.38 1wui h TRP 504 N 0.13 -0.38 0.16 3.16 4.06 -0.98 -1.31 115.95 120.80 1wui h TRP 504 Ca 0.06 0.02 -0.30 0.00 2.06 0.00 0.00 58.89 60.72 1wui h TRP 504 Cb 0.14 0.17 0.01 0.00 -1.00 0.00 0.00 29.16 28.48 1wui h TRP 504 CO -0.02 -0.22 -1.40 1.15 -3.56 0.00 0.00 178.44 174.39 1wui h THR 505 N -0.22 1.33 -0.03 1.49 2.02 -1.31 -3.38 112.91 112.80 1wui h THR 505 Ca 0.06 -2.88 0.00 0.00 0.77 0.00 0.00 66.41 64.36 1wui h THR 505 Cb 0.31 2.91 0.00 0.00 -1.74 0.00 0.00 68.15 69.63 1wui h THR 505 CO -0.17 0.85 0.00 0.18 0.37 0.00 0.00 175.52 176.75 1wui n LEU 506 N -3.56 1.63 -4.49 2.58 4.32 0.33 -1.47 117.00 116.34 1wui n LEU 506 Ca -0.13 -1.14 -0.28 0.00 -0.02 0.00 0.00 56.01 54.44 1wui n LEU 506 Cb 1.05 -0.02 0.25 0.00 -1.62 0.00 0.00 43.42 43.09 1wui n LEU 506 CO 0.54 0.35 0.52 -0.83 -1.22 0.00 0.00 177.39 176.76 1wui s GLY 507 N -0.56 1.53 0.00 -0.72 0.00 -0.49 -4.81 107.32 102.27 1wui s GLY 507 Ca 0.08 -0.22 0.00 0.00 0.00 0.00 0.00 44.72 44.58 1wui s GLY 507 CO 0.08 0.52 0.00 -1.55 0.00 0.00 0.00 173.10 172.15 1wui n PRO 508 N -4.93 0.30 -1.19 2.90 -0.04 -1.26 -4.51 135.00 126.27 1wui n PRO 508 Ca 0.03 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 63.17 1wui n PRO 508 Cb 0.55 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.12 1wui n PRO 508 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1wui s ARG 509 N -2.34 1.87 0.31 0.54 0.52 -1.26 -4.31 118.95 114.28 1wui s ARG 509 Ca 0.00 1.52 0.05 0.00 -0.52 0.00 0.00 55.73 56.78 1wui s ARG 509 Cb 0.00 -1.83 0.05 0.00 0.52 0.00 0.00 34.95 33.70 1wui s ARG 509 CO 0.00 -1.99 0.43 0.00 0.02 0.00 0.00 175.30 173.76 1wui n ASP 511 N -2.65 0.00 -1.15 0.00 3.85 -1.26 -0.94 116.55 114.39 1wui n ASP 511 Ca 0.09 -0.74 0.12 0.00 -0.71 0.00 0.00 54.79 53.55 1wui n ASP 511 Cb 0.32 -0.00 0.21 0.00 -1.35 0.00 0.00 41.12 40.29 1wui n ASP 511 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 1wui n LYS 512 N -1.00 2.51 -1.70 0.11 5.02 -1.26 -4.96 118.16 116.88 1wui n LYS 512 Ca 0.18 -2.28 -0.14 0.00 -2.02 0.00 0.00 58.31 54.04 1wui n LYS 512 Cb 0.08 -1.51 -0.04 0.00 -0.02 0.00 0.00 35.03 33.54 1wui n LYS 512 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1wui n ASN 513 N 1.50 -4.62 -4.71 4.39 5.03 -0.12 -4.96 115.26 111.76 1wui n ASN 513 Ca 0.19 0.24 -0.42 0.00 0.87 0.00 0.00 54.58 55.46 1wui n ASN 513 Cb 0.61 -3.52 -0.03 0.00 -1.02 0.00 0.00 39.78 35.82 1wui n ASN 513 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1wui s LYS 514 N -3.71 4.54 0.44 3.52 1.02 -1.26 -4.82 119.74 119.46 1wui s LYS 514 Ca 0.00 1.52 -0.25 0.00 0.02 0.00 0.00 55.97 57.25 1wui s LYS 514 Cb 0.00 -3.42 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 1wui s LYS 514 CO 0.00 -0.09 1.37 -0.51 -0.92 0.00 0.00 175.35 175.20 1wui s LEU 515 N 0.94 4.14 0.89 3.17 1.02 -1.26 -3.36 118.68 124.22 1wui s LEU 515 Ca 0.53 2.79 -0.12 0.00 0.02 0.00 0.00 54.13 57.36 1wui s LEU 515 Cb -0.23 -3.95 0.13 0.00 0.02 0.00 0.00 46.19 42.15 1wui s LEU 515 CO 0.29 -1.06 1.11 -0.94 0.02 0.00 0.00 176.35 175.76 1wui s SER 516 N -0.64 3.63 0.19 2.29 1.04 -1.26 -4.68 113.70 114.26 1wui s SER 516 Ca 0.60 1.21 -0.13 0.00 0.48 0.00 0.00 55.95 58.12 1wui s SER 516 Cb -0.41 -1.88 0.19 0.00 0.10 0.00 0.00 66.02 64.02 1wui s SER 516 CO 0.52 -2.51 1.72 -0.65 0.98 0.00 0.00 173.24 173.31 1wui h PRO 517 N -1.46 0.25 -0.66 4.02 0.11 -1.77 0.40 132.00 132.89 1wui h PRO 517 Ca -0.50 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.53 1wui h PRO 517 Cb 1.30 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.33 1wui h PRO 517 CO 0.59 0.17 0.16 -0.24 -0.21 0.00 0.00 178.00 178.46 1wui h VAL 518 N 0.26 1.26 0.01 3.15 3.04 -1.61 -0.07 116.25 122.29 1wui h VAL 518 Ca 0.25 -0.95 -0.00 0.00 -1.01 0.00 0.00 66.70 64.99 1wui h VAL 518 Cb 0.32 0.61 0.00 0.00 -2.01 0.00 0.00 31.29 30.21 1wui h VAL 518 CO -0.31 0.36 -0.00 -0.33 -1.01 0.00 0.00 177.57 176.28 1wui h GLU 519 N 0.98 -0.01 -0.89 4.17 5.08 -1.66 -2.66 114.58 119.59 1wui h GLU 519 Ca 0.21 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1wui h GLU 519 Cb 0.37 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.58 1wui h GLU 519 CO 0.00 0.16 0.53 0.00 -1.00 0.00 0.00 179.01 178.70 1wui h ALA 520 N 0.82 1.13 0.00 3.43 0.00 -0.83 -2.68 119.26 121.13 1wui h ALA 520 Ca -0.00 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 1wui h ALA 520 Cb 0.17 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1wui h ALA 520 CO 0.00 0.59 -0.10 0.66 0.00 0.00 0.00 179.25 180.41 1wui h SER 521 N 1.22 0.00 1.75 0.00 4.64 -0.80 -2.52 113.55 117.85 1wui h SER 521 Ca 0.32 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.62 1wui h SER 521 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.04 1wui h SER 521 CO -0.06 0.10 -0.09 -0.07 -0.87 0.00 0.00 176.83 175.84 1wui h LEU 522 N 0.00 0.00 -9.61 5.97 3.38 -1.13 -3.16 115.31 110.77 1wui h LEU 522 Ca -0.00 0.00 -0.52 0.00 0.09 0.00 0.00 57.88 57.44 1wui h LEU 522 Cb 0.29 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.08 1wui h LEU 522 CO 0.01 0.09 0.88 -0.63 0.09 0.00 0.00 178.44 178.87 1wui s ILE 523 N -3.25 2.64 0.00 1.22 -1.09 -0.95 -1.79 121.20 117.98 1wui s ILE 523 Ca 0.06 0.46 0.00 0.00 -2.23 0.00 0.00 60.65 58.93 1wui s ILE 523 Cb 0.06 -3.29 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 1wui s ILE 523 CO 0.66 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 1wui n GLY 524 N 3.74 0.48 3.70 6.18 0.00 0.33 -4.77 105.19 114.85 1wui n GLY 524 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1wui n GLY 524 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1wui s THR 525 N -2.18 3.12 0.38 2.61 2.01 -0.74 -4.64 115.64 116.21 1wui s THR 525 Ca 0.00 0.67 -0.24 0.00 0.31 0.00 0.00 61.69 62.43 1wui s THR 525 Cb 0.00 -3.43 -0.09 0.00 0.01 0.00 0.00 72.50 68.99 1wui s THR 525 CO 0.00 0.02 1.01 -2.16 -0.69 0.00 0.00 174.62 172.79 1wui s PRO 526 N 2.03 4.31 -0.23 4.92 0.04 -1.26 -0.90 135.00 143.90 1wui s PRO 526 Ca 0.70 1.42 -0.01 0.00 0.04 0.00 0.00 61.00 63.14 1wui s PRO 526 Cb -0.38 -2.59 0.07 0.00 0.04 0.00 0.00 34.50 31.63 1wui s PRO 526 CO 0.31 0.00 0.00 0.08 0.04 0.00 0.00 177.00 177.43 1wui s VAL 527 N -1.70 1.09 0.15 -0.36 1.01 -0.03 -4.66 120.40 115.90 1wui s VAL 527 Ca 0.56 -1.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.41 1wui s VAL 527 Cb -0.20 -1.52 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1wui s VAL 527 CO 0.25 -0.23 1.51 0.00 0.00 0.00 0.00 175.10 176.62 1wui h ALA 528 N 8.07 0.62 -2.86 5.51 0.00 -1.92 -3.41 119.26 125.28 1wui h ALA 528 Ca -0.16 -0.43 -0.53 0.00 0.00 0.00 0.00 54.91 53.78 1wui h ALA 528 Cb 1.08 -0.14 -0.40 0.00 0.00 0.00 0.00 17.79 18.33 1wui h ALA 528 CO 0.39 0.68 -0.78 0.34 0.00 0.00 0.00 179.25 179.89 1wui s ASP 529 N -6.80 3.51 0.61 0.00 3.68 -1.26 -4.88 116.67 111.53 1wui s ASP 529 Ca -0.11 -1.28 0.32 0.00 2.13 0.00 0.00 52.55 53.62 1wui s ASP 529 Cb 0.12 -0.40 1.85 0.00 -1.45 0.00 0.00 42.92 43.03 1wui s ASP 529 CO 0.88 -0.43 2.17 0.00 0.13 0.00 0.00 175.17 177.92 1wui h ALA 530 N 8.37 1.53 0.00 3.66 0.00 -1.94 0.28 119.26 131.17 1wui h ALA 530 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1wui h ALA 530 Cb 1.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 1wui h ALA 530 CO 0.43 -0.18 0.00 0.87 0.00 0.00 0.00 179.25 180.37 1wui h LYS 531 N 0.00 0.00 -2.03 0.00 1.57 -1.99 -3.36 116.57 110.76 1wui h LYS 531 Ca 0.04 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.26 1wui h LYS 531 Cb 0.31 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.22 1wui h LYS 531 CO -0.00 0.00 -1.02 0.54 -0.57 0.00 0.00 179.45 178.40 1wui n ARG 532 N -3.05 1.04 -1.76 3.15 1.74 0.08 -5.05 116.66 112.81 1wui n ARG 532 Ca 0.03 -3.48 -0.41 0.00 -0.77 0.00 0.00 57.85 53.22 1wui n ARG 532 Cb 0.43 -1.41 -0.01 0.00 -1.02 0.00 0.00 32.46 30.45 1wui n ARG 532 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1wui n PRO 533 N 1.28 3.76 0.24 5.56 -0.04 -1.18 -4.63 135.00 139.99 1wui n PRO 533 Ca 0.23 -2.86 0.07 0.00 -0.04 0.00 0.00 63.50 60.90 1wui n PRO 533 Cb 0.51 -2.88 0.58 0.00 -0.04 0.00 0.00 33.50 31.68 1wui n PRO 533 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1wui h VAL 534 N 3.23 1.04 -0.68 0.52 3.04 -1.96 -1.89 116.25 119.55 1wui h VAL 534 Ca 0.68 -0.32 -0.05 0.00 -1.01 0.00 0.00 66.70 66.00 1wui h VAL 534 Cb 0.42 1.17 -0.03 0.00 -2.01 0.00 0.00 31.29 30.85 1wui h VAL 534 CO 1.70 0.09 0.22 -0.33 -1.01 0.00 0.00 177.57 178.24 1wui h GLU 535 N 0.00 1.04 -0.64 4.17 3.07 -1.84 -0.07 114.58 120.32 1wui h GLU 535 Ca -0.00 -0.21 0.00 0.00 -0.50 0.00 0.00 59.36 58.65 1wui h GLU 535 Cb 0.17 -0.16 -0.03 0.00 -0.84 0.00 0.00 28.75 27.89 1wui h GLU 535 CO 0.01 0.88 0.41 0.82 -1.40 0.00 0.00 179.01 179.74 1wui h ILE 536 N 1.00 1.17 -0.77 3.13 2.04 -1.63 -2.81 117.51 119.65 1wui h ILE 536 Ca 0.22 -0.34 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1wui h ILE 536 Cb 0.27 0.25 -0.04 0.00 -0.74 0.00 0.00 36.82 36.56 1wui h ILE 536 CO -0.01 0.17 0.47 -0.07 0.00 0.00 0.00 178.15 178.71 1wui h LEU 537 N 0.87 0.93 -0.43 1.44 3.38 -1.29 -0.93 115.31 119.27 1wui h LEU 537 Ca 0.23 -0.06 0.04 0.00 0.09 0.00 0.00 57.88 58.18 1wui h LEU 537 Cb -0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 1wui h LEU 537 CO -0.05 0.72 0.19 0.03 0.09 0.00 0.00 178.44 179.42 1wui h ARG 538 N 1.06 0.37 -0.08 1.13 3.08 -0.79 0.22 114.38 119.37 1wui h ARG 538 Ca 0.28 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.27 1wui h ARG 538 Cb -0.04 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 1wui h ARG 538 CO -0.05 0.25 -0.08 1.15 -1.07 0.00 0.00 179.97 180.16 1wui h THR 539 N 0.38 1.37 -0.26 2.04 2.02 -1.30 -1.83 112.91 115.33 1wui h THR 539 Ca 0.19 -1.24 0.01 0.00 0.77 0.00 0.00 66.41 66.15 1wui h THR 539 Cb 0.14 2.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.54 1wui h THR 539 CO -0.16 0.35 0.14 0.58 0.37 0.00 0.00 175.52 176.79 1wui h VAL 540 N -0.22 1.01 0.00 3.16 2.07 -0.96 -1.94 116.25 119.37 1wui h VAL 540 Ca 0.01 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.41 1wui h VAL 540 Cb 0.60 0.69 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 1wui h VAL 540 CO 0.02 0.05 -0.12 0.45 0.02 0.00 0.00 177.57 178.00 1wui h HIS 541 N 0.29 0.00 0.00 1.57 -0.00 -0.59 -2.37 115.15 114.05 1wui h HIS 541 Ca 0.10 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.47 1wui h HIS 541 Cb 0.01 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 1wui h HIS 541 CO -0.09 0.12 -0.03 0.66 -0.00 0.00 0.00 177.93 178.59 1wui h SER 542 N 0.00 0.00 0.93 2.45 4.64 -0.50 0.48 113.55 121.55 1wui h SER 542 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1wui h SER 542 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1wui h SER 542 CO 0.02 0.03 -0.02 0.49 -0.87 0.00 0.00 176.83 176.48 1wui n PHE 543 N -4.04 0.00 -3.38 4.77 3.72 -0.89 -4.61 117.46 113.03 1wui n PHE 543 Ca -0.03 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.17 1wui n PHE 543 Cb 0.12 -0.46 0.06 0.00 -0.94 0.00 0.00 39.48 38.26 1wui n PHE 543 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1wui n ASP 544 N -1.47 -6.27 -2.85 4.37 4.64 0.16 -4.99 116.55 110.15 1wui n ASP 544 Ca 0.08 -0.80 0.00 0.00 -1.38 0.00 0.00 54.79 52.69 1wui n ASP 544 Cb 0.33 -4.66 0.00 0.00 -1.04 0.00 0.00 41.12 35.75 1wui n ASP 544 CO 0.00 0.00 0.00 -2.65 -0.82 0.00 0.00 177.20 173.73 1wui n PRO 545 N -3.51 -1.66 0.00 -0.67 -0.02 -1.26 -4.95 135.00 122.93 1wui n PRO 545 Ca -0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.40 1wui n PRO 545 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.09 1wui n PRO 545 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1wui n ILE 547 N -2.83 0.00 -0.16 4.25 2.08 -0.17 -2.61 119.36 119.92 1wui n ILE 547 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1wui n ILE 547 Cb 0.00 0.00 0.01 0.00 -0.75 0.00 0.00 39.64 38.90 1wui n ILE 547 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1wui h ALA 548 N 0.00 0.60 0.01 -1.39 0.00 -1.84 -1.31 119.26 115.33 1wui h ALA 548 Ca 0.00 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1wui h ALA 548 Cb 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.56 1wui h ALA 548 CO 0.00 0.09 -0.21 0.00 0.00 0.00 0.00 179.25 179.13 1wui h GLY 550 N -0.34 0.55 0.14 0.00 0.00 -1.78 -3.32 103.07 98.31 1wui h GLY 550 Ca 0.06 -0.38 -0.38 0.00 0.00 0.00 0.00 47.33 46.63 1wui h GLY 550 CO -0.19 0.35 -2.19 -0.62 0.00 0.00 0.00 176.54 173.89 1wui n VAL 551 N -4.21 1.57 -0.19 4.60 0.31 -0.53 -4.40 118.33 115.48 1wui n VAL 551 Ca 0.01 -0.45 0.00 0.00 -0.01 0.00 0.00 64.34 63.89 1wui n VAL 551 Cb 0.32 -1.72 0.00 0.00 -0.91 0.00 0.00 33.84 31.53 1wui n VAL 551 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51