#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hpa s THR 30 N 0.00 4.85 -0.08 -0.18 -4.23 -1.26 0.13 115.64 114.87 3hpa s THR 30 Ca 0.00 -0.25 0.00 0.00 -1.18 0.00 0.00 61.69 60.26 3hpa s THR 30 Cb 0.00 -3.17 0.02 0.00 1.34 0.00 0.00 72.50 70.69 3hpa s THR 30 CO 0.00 0.44 -0.06 -0.22 -0.54 0.00 0.00 174.62 174.24 3hpa s LEU 31 N -1.48 1.16 -0.10 4.79 2.96 0.42 -2.34 118.68 124.10 3hpa s LEU 31 Ca 0.20 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.94 3hpa s LEU 31 Cb -0.12 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.92 3hpa s LEU 31 CO 0.11 -0.09 -0.21 -0.22 -1.32 0.00 0.00 176.35 174.61 3hpa s LEU 32 N 1.38 2.28 -0.12 -0.68 2.96 -0.41 0.28 118.68 124.38 3hpa s LEU 32 Ca -0.03 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 3hpa s LEU 32 Cb -0.13 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 3hpa s LEU 32 CO -0.03 0.19 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.34 3hpa s VAL 33 N 0.18 2.85 0.04 1.68 1.01 0.06 -0.29 120.40 125.93 3hpa s VAL 33 Ca -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 3hpa s VAL 33 Cb -0.16 -2.17 -0.03 0.00 0.00 0.00 0.00 36.38 34.02 3hpa s VAL 33 CO 0.07 0.54 -0.02 -1.59 0.00 0.00 0.00 175.10 174.10 3hpa s LYS 34 N 0.23 0.54 -1.87 2.72 -2.85 -0.53 -1.22 119.74 116.77 3hpa s LYS 34 Ca -0.10 -1.03 0.00 0.00 -1.00 0.00 0.00 55.97 53.83 3hpa s LYS 34 Cb -0.16 0.19 0.00 0.00 -2.06 0.00 0.00 37.83 35.80 3hpa s LYS 34 CO 0.06 -0.10 0.00 0.72 0.10 0.00 0.00 175.35 176.13 3hpa n HIS 35 N 0.52 0.00 -1.67 1.78 8.25 -0.99 -1.08 115.22 122.02 3hpa n HIS 35 Ca -0.17 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 56.87 3hpa n HIS 35 Cb 0.59 -3.12 -0.00 0.00 1.12 0.00 0.00 29.99 28.59 3hpa n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hpa n ALA 36 N 1.33 0.91 0.06 -1.41 0.00 0.29 -3.13 120.51 118.57 3hpa n ALA 36 Ca -0.18 0.33 -0.12 0.00 0.00 0.00 0.00 53.44 53.48 3hpa n ALA 36 Cb 0.61 -2.20 -0.06 0.00 0.00 0.00 0.00 19.45 17.80 3hpa n ALA 36 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3hpa h ASP 37 N 2.25 -0.15 -3.66 0.00 5.19 -1.19 -0.23 116.42 118.63 3hpa h ASP 37 Ca -0.45 0.02 -0.31 0.00 -0.62 0.00 0.00 57.03 55.67 3hpa h ASP 37 Cb 1.30 0.06 -0.31 0.00 0.18 0.00 0.00 39.33 40.56 3hpa h ASP 37 CO 0.61 -0.08 -0.74 -0.69 -3.12 0.00 0.00 179.24 175.21 3hpa s VAL 38 N -6.17 0.19 -0.26 -1.35 1.01 -1.14 -2.53 120.40 110.15 3hpa s VAL 38 Ca -0.14 -0.01 -0.01 0.00 0.00 0.00 0.00 61.98 61.83 3hpa s VAL 38 Cb 0.07 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.30 3hpa s VAL 38 CO 0.66 0.10 0.04 -0.22 0.00 0.00 0.00 175.10 175.68 3hpa s LEU 39 N 0.48 2.23 -0.22 3.92 2.96 0.19 -0.59 118.68 127.65 3hpa s LEU 39 Ca -0.05 -1.35 -0.21 0.00 -0.22 0.00 0.00 54.13 52.30 3hpa s LEU 39 Cb -0.07 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.67 3hpa s LEU 39 CO -0.01 -0.34 0.66 0.54 -1.32 0.00 0.00 176.35 175.88 3hpa s VAL 40 N 1.57 4.98 -0.08 1.68 0.11 -0.86 -0.29 120.40 127.51 3hpa s VAL 40 Ca 0.03 1.23 0.15 0.00 -2.93 0.00 0.00 61.98 60.46 3hpa s VAL 40 Cb -0.18 -3.97 -0.19 0.00 -1.53 0.00 0.00 36.38 30.52 3hpa s VAL 40 CO -0.15 0.06 0.72 0.35 -3.33 0.00 0.00 175.10 172.75 3hpa n THR 41 N 4.93 1.39 -2.61 5.04 -2.24 -0.44 -3.93 114.28 116.42 3hpa n THR 41 Ca -0.00 -0.75 -0.20 0.00 -2.27 0.00 0.00 64.05 60.83 3hpa n THR 41 Cb 0.49 -0.88 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 3hpa n THR 41 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 3hpa n MET 42 N -2.96 -2.67 -0.86 -0.78 2.81 -1.25 0.21 117.12 111.62 3hpa n MET 42 Ca -0.14 0.89 -0.07 0.00 -1.81 0.00 0.00 57.70 56.57 3hpa n MET 42 Cb 0.95 -5.59 0.04 0.00 -0.71 0.00 0.00 33.22 27.91 3hpa n MET 42 CO 0.00 0.00 0.00 -0.40 1.51 0.00 0.00 175.97 177.08 3hpa n ASP 43 N -2.12 0.22 -0.34 7.83 5.68 -1.26 -4.71 116.55 121.85 3hpa n ASP 43 Ca -0.18 -1.22 0.11 0.00 -0.50 0.00 0.00 54.79 52.99 3hpa n ASP 43 Cb 0.65 -0.21 0.24 0.00 -1.14 0.00 0.00 41.12 40.66 3hpa n ASP 43 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 3hpa h ASP 44 N -0.27 -0.58 -0.49 -1.12 3.32 -1.96 0.35 116.42 115.67 3hpa h ASP 44 Ca -0.10 0.28 -0.07 0.00 0.02 0.00 0.00 57.03 57.16 3hpa h ASP 44 Cb 0.31 0.50 -0.04 0.00 0.22 0.00 0.00 39.33 40.32 3hpa h ASP 44 CO 0.09 -0.33 0.06 0.35 -1.72 0.00 0.00 179.24 177.69 3hpa n THR 45 N -5.51 2.64 -3.88 0.35 -2.24 -1.26 -4.95 114.28 99.43 3hpa n THR 45 Ca 0.20 -1.73 -0.31 0.00 -2.27 0.00 0.00 64.05 59.94 3hpa n THR 45 Cb 0.66 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.59 3hpa n THR 45 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3hpa n ARG 46 N -0.10 -3.98 -1.73 -0.78 5.12 0.12 -4.90 116.66 110.41 3hpa n ARG 46 Ca 0.29 0.47 -0.39 0.00 -1.93 0.00 0.00 57.85 56.30 3hpa n ARG 46 Cb 1.13 -5.26 0.04 0.00 -1.16 0.00 0.00 32.46 27.22 3hpa n ARG 46 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3hpa n ARG 47 N -4.29 1.61 -3.64 5.56 1.74 -1.26 -4.73 116.66 111.65 3hpa n ARG 47 Ca 0.04 0.59 -0.29 0.00 -0.77 0.00 0.00 57.85 57.43 3hpa n ARG 47 Cb 0.51 -2.53 -0.15 0.00 -1.02 0.00 0.00 32.46 29.27 3hpa n ARG 47 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3hpa s GLU 48 N -2.87 0.42 0.21 5.56 2.02 -1.26 -1.33 118.70 121.46 3hpa s GLU 48 Ca 0.72 -0.67 -0.05 0.00 0.02 0.00 0.00 54.97 54.99 3hpa s GLU 48 Cb -0.42 -1.62 -0.05 0.00 0.10 0.00 0.00 34.13 32.14 3hpa s GLU 48 CO 0.49 -0.93 0.46 -0.51 0.02 0.00 0.00 175.26 174.78 3hpa s LEU 49 N 1.90 4.18 -0.05 1.80 1.43 0.61 -4.84 118.68 123.71 3hpa s LEU 49 Ca 0.07 0.63 0.04 0.00 -1.03 0.00 0.00 54.13 53.85 3hpa s LEU 49 Cb -0.17 -3.40 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 3hpa s LEU 49 CO -0.27 -0.06 -0.17 -0.13 0.23 0.00 0.00 176.35 175.95 3hpa s ARG 50 N -3.10 2.52 -1.17 1.70 0.52 -1.26 0.56 118.95 118.72 3hpa s ARG 50 Ca 0.42 -0.75 -0.02 0.00 -0.52 0.00 0.00 55.73 54.86 3hpa s ARG 50 Cb -0.11 -2.33 -0.02 0.00 0.52 0.00 0.00 34.95 33.01 3hpa s ARG 50 CO 0.27 0.55 0.94 -3.47 0.02 0.00 0.00 175.30 173.61 3hpa n ASP 51 N 2.50 -3.30 -4.34 0.23 -0.08 -0.13 -4.83 116.55 106.60 3hpa n ASP 51 Ca -0.17 -0.68 -0.30 0.00 -1.51 0.00 0.00 54.79 52.13 3hpa n ASP 51 Cb 0.52 -4.97 -0.07 0.00 2.34 0.00 0.00 41.12 38.94 3hpa n ASP 51 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3hpa s ALA 52 N -3.41 3.57 0.00 -1.67 0.00 -1.02 -2.18 121.76 117.06 3hpa s ALA 52 Ca 0.14 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.45 3hpa s ALA 52 Cb -0.02 0.45 0.00 0.00 0.00 0.00 0.00 23.12 23.55 3hpa s ALA 52 CO 0.75 -0.20 0.00 0.41 0.00 0.00 0.00 175.76 176.71 3hpa n GLY 53 N -1.11 2.19 2.95 0.00 0.00 -0.87 -0.54 105.19 107.80 3hpa n GLY 53 Ca -0.13 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 44.97 3hpa n GLY 53 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hpa s LEU 54 N 0.00 2.13 -0.22 0.99 1.43 -0.36 -2.85 118.68 119.80 3hpa s LEU 54 Ca 0.00 -0.29 -0.03 0.00 -1.03 0.00 0.00 54.13 52.78 3hpa s LEU 54 Cb 0.00 -0.02 -0.00 0.00 0.03 0.00 0.00 46.19 46.19 3hpa s LEU 54 CO 0.00 -0.14 -0.05 -0.47 0.23 0.00 0.00 176.35 175.92 3hpa s TYR 55 N -0.79 2.96 -0.04 0.29 5.04 0.51 -0.76 117.35 124.56 3hpa s TYR 55 Ca -0.07 -1.06 0.07 0.00 -2.44 0.00 0.00 57.07 53.56 3hpa s TYR 55 Cb -0.06 -2.09 -0.02 0.00 0.35 0.00 0.00 41.96 40.14 3hpa s TYR 55 CO -0.00 -0.59 -0.24 0.42 -1.34 0.00 0.00 175.55 173.80 3hpa s ILE 56 N 1.45 2.21 -0.24 3.14 1.01 0.14 -1.11 121.20 127.81 3hpa s ILE 56 Ca 0.05 -1.03 -0.00 0.00 0.00 0.00 0.00 60.65 59.67 3hpa s ILE 56 Cb -0.14 -1.80 0.04 0.00 0.01 0.00 0.00 42.46 40.57 3hpa s ILE 56 CO -0.04 0.58 -0.09 -1.61 0.00 0.00 0.00 174.94 173.78 3hpa s GLU 57 N -0.45 2.68 5.28 2.79 2.02 -0.57 -0.44 118.70 130.01 3hpa s GLU 57 Ca 0.05 -1.07 0.00 0.00 0.02 0.00 0.00 54.97 53.97 3hpa s GLU 57 Cb -0.12 -2.91 0.00 0.00 0.10 0.00 0.00 34.13 31.20 3hpa s GLU 57 CO 0.01 -0.43 0.00 -0.25 0.02 0.00 0.00 175.26 174.61 3hpa n ASP 58 N 4.60 0.00 -0.83 -0.19 8.00 0.34 -1.57 116.55 126.89 3hpa n ASP 58 Ca -0.16 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.42 3hpa n ASP 58 Cb 0.46 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.80 3hpa n ASP 58 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3hpa n ASN 59 N 10.32 3.73 -4.12 -2.24 6.94 -1.26 -4.18 115.26 124.44 3hpa n ASN 59 Ca 0.00 -2.93 -0.22 0.00 -0.02 0.00 0.00 54.58 51.41 3hpa n ASN 59 Cb 0.00 -0.51 -0.15 0.00 -2.36 0.00 0.00 39.78 36.76 3hpa n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3hpa s ARG 60 N -2.66 1.15 -0.03 -3.83 1.70 -0.61 -1.68 118.95 112.99 3hpa s ARG 60 Ca 0.40 -0.56 -0.30 0.00 -0.47 0.00 0.00 55.73 54.80 3hpa s ARG 60 Cb 0.32 -1.12 -0.03 0.00 -0.57 0.00 0.00 34.95 33.55 3hpa s ARG 60 CO 0.09 0.30 1.06 0.42 -1.08 0.00 0.00 175.30 176.09 3hpa s ILE 61 N -0.41 4.62 -0.13 4.99 1.01 -0.45 -1.52 121.20 129.32 3hpa s ILE 61 Ca 0.05 1.89 0.12 0.00 0.00 0.00 0.00 60.65 62.71 3hpa s ILE 61 Cb -0.06 -4.21 -0.17 0.00 0.01 0.00 0.00 42.46 38.03 3hpa s ILE 61 CO -0.00 0.08 0.05 1.33 0.00 0.00 0.00 174.94 176.40 3hpa n VAL 62 N 4.21 0.92 -3.78 2.92 0.24 -0.26 -1.20 118.33 121.39 3hpa n VAL 62 Ca 0.08 -0.57 -0.13 0.00 -2.04 0.00 0.00 64.34 61.68 3hpa n VAL 62 Cb 0.49 -0.63 -0.11 0.00 -1.47 0.00 0.00 33.84 32.11 3hpa n VAL 62 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hpa s ALA 63 N -2.33 -0.68 -0.01 2.33 0.00 -0.99 -4.55 121.76 115.52 3hpa s ALA 63 Ca -0.07 0.79 0.02 0.00 0.00 0.00 0.00 51.96 52.70 3hpa s ALA 63 Cb 0.04 -0.46 0.00 0.00 0.00 0.00 0.00 23.12 22.70 3hpa s ALA 63 CO 0.55 -0.13 -0.05 0.08 0.00 0.00 0.00 175.76 176.21 3hpa s VAL 64 N 0.19 0.46 -5.00 0.00 1.01 -1.26 -0.37 120.40 115.44 3hpa s VAL 64 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 61.98 61.77 3hpa s VAL 64 Cb -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 36.38 35.94 3hpa s VAL 64 CO -0.00 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.86 3hpa n GLY 65 N 3.24 -1.52 3.66 4.51 0.00 -1.13 -5.01 105.19 108.92 3hpa n GLY 65 Ca -0.17 -1.31 -0.44 0.00 0.00 0.00 0.00 46.02 44.10 3hpa n GLY 65 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3hpa n PRO 66 N -0.26 1.85 0.05 1.61 -0.02 -1.26 -2.06 135.00 134.92 3hpa n PRO 66 Ca 0.00 0.65 0.07 0.00 -2.02 0.00 0.00 63.50 62.20 3hpa n PRO 66 Cb 0.00 -2.19 0.50 0.00 -0.02 0.00 0.00 33.50 31.79 3hpa n PRO 66 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3hpa h SER 67 N 2.88 0.32 0.11 2.55 0.02 -1.73 -1.18 113.55 116.52 3hpa h SER 67 Ca -0.44 -0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.48 3hpa h SER 67 Cb 1.30 -0.08 -0.00 0.00 0.14 0.00 0.00 62.40 63.76 3hpa h SER 67 CO 0.66 0.22 -0.12 0.00 -1.14 0.00 0.00 176.83 176.45 3hpa h ALA 68 N 1.80 1.79 -0.03 3.77 0.00 -1.89 -1.22 119.26 123.49 3hpa h ALA 68 Ca 0.14 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hpa h ALA 68 Cb 0.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3hpa h ALA 68 CO -0.03 0.16 0.00 0.39 0.00 0.00 0.00 179.25 179.77 3hpa n GLU 69 N -4.39 1.43 -4.22 0.00 1.02 -0.46 -4.90 120.64 109.12 3hpa n GLU 69 Ca -0.03 -0.63 -0.24 0.00 -0.02 0.00 0.00 57.16 56.24 3hpa n GLU 69 Cb 0.19 -1.47 -0.07 0.00 -0.02 0.00 0.00 31.44 30.07 3hpa n GLU 69 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hpa s LEU 70 N -1.93 3.13 0.55 -4.62 1.02 -0.46 -4.98 118.68 111.38 3hpa s LEU 70 Ca 0.40 -0.87 -0.20 0.00 0.02 0.00 0.00 54.13 53.48 3hpa s LEU 70 Cb 0.20 -1.56 -0.07 0.00 0.02 0.00 0.00 46.19 44.79 3hpa s LEU 70 CO 0.33 -0.26 0.93 -2.65 0.02 0.00 0.00 176.35 174.72 3hpa n PRO 71 N -1.05 0.99 0.08 1.29 -0.02 -1.26 -4.89 135.00 130.14 3hpa n PRO 71 Ca -0.04 0.37 0.12 0.00 -2.02 0.00 0.00 63.50 61.94 3hpa n PRO 71 Cb 0.62 -2.08 0.26 0.00 -0.02 0.00 0.00 33.50 32.27 3hpa n PRO 71 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3hpa h GLU 72 N 0.76 0.00 -3.77 -0.52 5.08 -1.96 -3.48 114.58 110.70 3hpa h GLU 72 Ca -0.47 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 57.80 3hpa h GLU 72 Cb 1.36 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.49 3hpa h GLU 72 CO 0.52 0.00 -0.25 0.99 -1.00 0.00 0.00 179.01 179.27 3hpa s THR 73 N -3.15 0.06 0.38 1.13 2.01 -1.26 -5.13 115.64 109.68 3hpa s THR 73 Ca 0.08 -1.27 -0.16 0.00 0.31 0.00 0.00 61.69 60.65 3hpa s THR 73 Cb 0.13 -1.79 0.06 0.00 0.01 0.00 0.00 72.50 70.91 3hpa s THR 73 CO 0.67 -0.26 0.81 0.00 -0.69 0.00 0.00 174.62 175.15 3hpa s ALA 74 N -3.95 -0.78 0.31 7.40 0.00 -1.26 -4.89 121.76 118.59 3hpa s ALA 74 Ca 0.15 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.37 3hpa s ALA 74 Cb 0.02 0.67 0.51 0.00 0.00 0.00 0.00 23.12 24.33 3hpa s ALA 74 CO -0.01 -0.99 1.91 -0.44 0.00 0.00 0.00 175.76 176.23 3hpa h ASP 75 N 2.00 0.73 -3.45 0.00 3.32 -1.86 -3.40 116.42 113.76 3hpa h ASP 75 Ca -0.33 -0.08 -0.42 0.00 0.02 0.00 0.00 57.03 56.23 3hpa h ASP 75 Cb 1.25 -0.19 -0.34 0.00 0.22 0.00 0.00 39.33 40.27 3hpa h ASP 75 CO 0.41 0.65 -0.77 -0.70 -1.72 0.00 0.00 179.24 177.11 3hpa s GLU 76 N -5.42 0.86 -0.08 3.56 2.12 -0.99 -5.03 118.70 113.72 3hpa s GLU 76 Ca -0.10 -0.11 0.04 0.00 0.36 0.00 0.00 54.97 55.16 3hpa s GLU 76 Cb 0.16 -0.87 0.00 0.00 0.26 0.00 0.00 34.13 33.68 3hpa s GLU 76 CO 0.78 -0.09 -0.19 0.14 -0.54 0.00 0.00 175.26 175.36 3hpa s VAL 77 N 0.95 1.68 -0.35 3.70 -7.23 -1.26 -1.28 120.40 116.60 3hpa s VAL 77 Ca -0.10 -0.80 -0.03 0.00 -1.81 0.00 0.00 61.98 59.23 3hpa s VAL 77 Cb -0.14 -1.47 0.07 0.00 0.56 0.00 0.00 36.38 35.41 3hpa s VAL 77 CO -0.00 0.47 0.10 -0.76 -0.31 0.00 0.00 175.10 174.61 3hpa s LEU 78 N 0.40 4.54 -0.64 1.32 1.43 0.60 -4.98 118.68 121.34 3hpa s LEU 78 Ca -0.15 -1.58 -0.23 0.00 -1.03 0.00 0.00 54.13 51.14 3hpa s LEU 78 Cb -0.16 -1.78 0.06 0.00 0.03 0.00 0.00 46.19 44.34 3hpa s LEU 78 CO 0.06 -0.39 0.97 -0.62 0.23 0.00 0.00 176.35 176.60 3hpa s ASP 79 N 1.51 6.20 -0.35 2.29 3.68 -1.26 -1.45 116.67 127.29 3hpa s ASP 79 Ca 0.01 -0.88 0.03 0.00 2.13 0.00 0.00 52.55 53.84 3hpa s ASP 79 Cb -0.21 -2.42 0.51 0.00 -1.45 0.00 0.00 42.92 39.35 3hpa s ASP 79 CO -0.02 -1.42 1.72 0.18 0.13 0.00 0.00 175.17 175.77 3hpa n LEU 80 N 7.71 5.95 -4.60 -1.34 4.77 -0.24 -4.96 117.00 124.29 3hpa n LEU 80 Ca -0.03 -3.16 -0.40 0.00 -0.03 0.00 0.00 56.01 52.39 3hpa n LEU 80 Cb 0.46 -0.77 0.02 0.00 -2.33 0.00 0.00 43.42 40.80 3hpa n LEU 80 CO 0.64 0.94 0.53 -1.14 -1.33 0.00 0.00 177.39 177.03 3hpa n ARG 81 N -0.76 1.17 -0.98 3.23 0.63 -1.18 -0.73 116.66 118.03 3hpa n ARG 81 Ca 0.47 0.43 0.00 0.00 -0.92 0.00 0.00 57.85 57.82 3hpa n ARG 81 Cb 1.39 -2.05 0.00 0.00 0.45 0.00 0.00 32.46 32.25 3hpa n ARG 81 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3hpa n GLY 82 N 1.26 0.63 3.41 5.14 0.00 -1.26 -4.85 105.19 109.51 3hpa n GLY 82 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.85 3hpa n GLY 82 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3hpa s HIS 83 N -2.63 2.31 -0.26 1.61 3.76 0.09 -1.32 115.29 118.85 3hpa s HIS 83 Ca 0.00 -0.37 -0.11 0.00 -0.15 0.00 0.00 55.06 54.43 3hpa s HIS 83 Cb 0.00 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.45 3hpa s HIS 83 CO 0.00 0.42 0.18 -1.17 -0.85 0.00 0.00 174.74 173.32 3hpa s LEU 84 N -2.38 4.06 -0.10 0.89 2.96 0.57 -1.02 118.68 123.66 3hpa s LEU 84 Ca 0.18 0.05 0.01 0.00 -0.22 0.00 0.00 54.13 54.14 3hpa s LEU 84 Cb -0.09 -2.12 -0.02 0.00 0.50 0.00 0.00 46.19 44.46 3hpa s LEU 84 CO 0.08 -0.00 -0.12 0.68 -1.32 0.00 0.00 176.35 175.67 3hpa s VAL 85 N 1.45 3.23 0.07 1.68 -7.23 0.25 -0.65 120.40 119.19 3hpa s VAL 85 Ca 0.07 -0.62 0.03 0.00 -1.81 0.00 0.00 61.98 59.65 3hpa s VAL 85 Cb -0.15 -2.33 -0.03 0.00 0.56 0.00 0.00 36.38 34.43 3hpa s VAL 85 CO 0.08 0.55 -0.10 -0.63 -0.31 0.00 0.00 175.10 174.69 3hpa s ILE 86 N -0.09 0.82 0.61 -0.62 1.01 0.29 -2.03 121.20 121.18 3hpa s ILE 86 Ca -0.01 -1.42 -0.19 0.00 0.00 0.00 0.00 60.65 59.04 3hpa s ILE 86 Cb -0.14 -1.08 -0.03 0.00 0.01 0.00 0.00 42.46 41.22 3hpa s ILE 86 CO 0.03 -0.46 1.25 -2.16 0.00 0.00 0.00 174.94 173.60 3hpa s PRO 87 N -2.28 2.82 0.27 2.79 0.04 -1.25 -0.37 135.00 137.01 3hpa s PRO 87 Ca -0.01 1.94 -0.29 0.00 0.04 0.00 0.00 61.00 62.68 3hpa s PRO 87 Cb -0.06 -1.91 -0.14 0.00 0.04 0.00 0.00 34.50 32.44 3hpa s PRO 87 CO 0.00 -1.36 1.21 0.41 0.04 0.00 0.00 177.00 177.30 3hpa n GLY 88 N 0.68 0.27 3.78 0.56 0.00 -1.07 -4.49 105.19 104.92 3hpa n GLY 88 Ca 0.14 0.39 -0.36 0.00 0.00 0.00 0.00 46.02 46.19 3hpa n GLY 88 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hpa s LEU 89 N -0.01 4.08 -0.21 0.99 1.43 -0.25 -4.62 118.68 120.09 3hpa s LEU 89 Ca 0.62 2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 55.77 3hpa s LEU 89 Cb -0.67 -4.23 -0.00 0.00 0.03 0.00 0.00 46.19 41.31 3hpa s LEU 89 CO 0.57 -0.61 -0.07 -0.69 0.23 0.00 0.00 176.35 175.78 3hpa s VAL 90 N -1.67 3.15 -0.19 -1.59 1.01 0.53 -1.14 120.40 120.50 3hpa s VAL 90 Ca 0.60 -0.57 -0.16 0.00 0.00 0.00 0.00 61.98 61.85 3hpa s VAL 90 Cb -0.23 -2.42 -0.04 0.00 0.00 0.00 0.00 36.38 33.70 3hpa s VAL 90 CO 0.28 0.45 0.42 0.21 0.00 0.00 0.00 175.10 176.46 3hpa s ASN 91 N 1.40 6.48 -0.01 3.32 2.47 0.23 -4.46 114.94 124.37 3hpa s ASN 91 Ca 0.05 0.56 0.12 0.00 0.42 0.00 0.00 52.86 54.01 3hpa s ASN 91 Cb -0.14 -2.24 0.35 0.00 -1.45 0.00 0.00 41.25 37.76 3hpa s ASN 91 CO -0.04 -0.08 1.29 0.35 -3.72 0.00 0.00 177.10 174.90 3hpa n THR 92 N 4.28 1.08 -3.64 -5.21 -2.24 0.23 -2.37 114.28 106.40 3hpa n THR 92 Ca -0.08 -1.05 -0.08 0.00 -2.27 0.00 0.00 64.05 60.57 3hpa n THR 92 Cb 0.51 0.45 -0.07 0.00 -2.10 0.00 0.00 70.33 69.12 3hpa n THR 92 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 3hpa s HIS 93 N -1.12 -0.82 0.16 4.78 5.65 -1.26 -4.87 115.29 117.82 3hpa s HIS 93 Ca 0.26 1.74 -0.24 0.00 0.25 0.00 0.00 55.06 57.07 3hpa s HIS 93 Cb 0.14 0.46 0.06 0.00 -1.18 0.00 0.00 32.58 32.06 3hpa s HIS 93 CO 0.17 -0.40 0.84 -1.58 -0.65 0.00 0.00 174.74 173.11 3hpa s HIS 94 N 1.10 -0.24 -0.42 3.88 2.46 -1.26 -0.88 115.29 119.93 3hpa s HIS 94 Ca -0.06 -0.06 0.07 0.00 0.47 0.00 0.00 55.06 55.48 3hpa s HIS 94 Cb -0.05 0.63 0.23 0.00 -0.13 0.00 0.00 32.58 33.26 3hpa s HIS 94 CO -0.12 -0.88 0.57 0.72 -2.47 0.00 0.00 174.74 172.55 3hpa n HIS 95 N -0.41 -1.27 -0.32 3.88 8.25 -1.26 -0.67 115.22 123.42 3hpa n HIS 95 Ca -0.08 -3.02 0.12 0.00 -0.26 0.00 0.00 57.72 54.48 3hpa n HIS 95 Cb 0.61 0.25 0.30 0.00 1.12 0.00 0.00 29.99 32.27 3hpa n HIS 95 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 3hpa h MET 96 N 4.36 0.53 -0.12 -0.41 0.00 -1.90 -0.13 114.93 117.26 3hpa h MET 96 Ca 0.06 -0.03 0.04 0.00 0.00 0.00 0.00 59.70 59.77 3hpa h MET 96 Cb 0.93 -0.12 -0.00 0.00 0.00 0.00 0.00 31.60 32.40 3hpa h MET 96 CO 0.39 0.35 0.22 0.10 0.00 0.00 0.00 176.91 177.97 3hpa h TYR 97 N 0.55 0.00 0.00 -0.22 -0.00 -1.92 0.43 116.97 115.81 3hpa h TYR 97 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.28 3hpa h TYR 97 Cb 0.96 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.69 3hpa h TYR 97 CO -0.08 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.12 3hpa n GLN 98 N -3.43 0.00 0.22 0.10 6.02 -0.06 -2.66 117.38 117.57 3hpa n GLN 98 Ca 0.00 0.24 0.15 0.00 -0.01 0.00 0.00 57.00 57.39 3hpa n GLN 98 Cb 0.32 -1.50 0.77 0.00 1.02 0.00 0.00 30.24 30.85 3hpa n GLN 98 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 3hpa h SER 99 N 0.00 0.00 1.53 1.08 4.64 -1.07 -0.89 113.55 118.84 3hpa h SER 99 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3hpa h SER 99 Cb 0.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3hpa h SER 99 CO 0.00 0.00 -0.25 -0.07 -0.87 0.00 0.00 176.83 175.64 3hpa h LEU 100 N 0.00 0.00 -5.96 5.97 3.38 -1.73 -3.38 115.31 113.59 3hpa h LEU 100 Ca 0.00 -0.03 -0.57 0.00 0.09 0.00 0.00 57.88 57.37 3hpa h LEU 100 Cb 0.11 0.00 -0.41 0.00 0.09 0.00 0.00 40.66 40.45 3hpa h LEU 100 CO 0.00 0.02 -0.83 0.35 0.09 0.00 0.00 178.44 178.07 3hpa n THR 101 N -2.65 1.26 -3.94 0.22 -2.24 -0.34 -4.67 114.28 101.92 3hpa n THR 101 Ca 0.04 -4.84 -0.33 0.00 -2.27 0.00 0.00 64.05 56.64 3hpa n THR 101 Cb 0.49 -1.73 -0.05 0.00 -2.10 0.00 0.00 70.33 66.94 3hpa n THR 101 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3hpa s ARG 102 N -2.25 3.38 -1.25 -0.78 0.52 -1.25 -4.40 118.95 112.92 3hpa s ARG 102 Ca 0.40 -0.36 -0.01 0.00 -0.52 0.00 0.00 55.73 55.24 3hpa s ARG 102 Cb 0.20 -3.05 0.00 0.00 0.52 0.00 0.00 34.95 32.62 3hpa s ARG 102 CO -0.07 0.67 0.06 0.00 0.02 0.00 0.00 175.30 175.98 3hpa n ALA 103 N 0.93 -0.77 -1.88 2.13 0.00 -1.26 -4.90 120.51 114.75 3hpa n ALA 103 Ca -0.11 0.12 -0.42 0.00 0.00 0.00 0.00 53.44 53.04 3hpa n ALA 103 Cb 0.52 -1.85 -0.03 0.00 0.00 0.00 0.00 19.45 18.10 3hpa n ALA 103 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3hpa s VAL 104 N -2.76 2.51 0.29 0.00 1.01 -1.26 -4.83 120.40 115.36 3hpa s VAL 104 Ca 0.04 0.39 -0.01 0.00 0.00 0.00 0.00 61.98 62.40 3hpa s VAL 104 Cb -0.02 -3.25 0.36 0.00 0.00 0.00 0.00 36.38 33.47 3hpa s VAL 104 CO 0.05 0.04 1.60 -0.65 0.00 0.00 0.00 175.10 176.14 3hpa h PRO 105 N 6.07 0.06 0.00 2.72 0.11 -1.99 -0.11 132.00 138.86 3hpa h PRO 105 Ca -0.44 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3hpa h PRO 105 Cb 1.21 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hpa h PRO 105 CO 0.87 0.04 0.00 0.00 -0.21 0.00 0.00 178.00 178.70 3hpa h ALA 106 N 1.87 1.00 0.00 -0.75 0.00 -2.00 -3.23 119.26 116.15 3hpa h ALA 106 Ca 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 3hpa h ALA 106 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3hpa h ALA 106 CO -0.81 0.00 -1.50 0.00 0.00 0.00 0.00 179.25 176.94 3hpa n ALA 107 N -2.04 2.54 -0.23 0.00 0.00 -0.16 -4.32 120.51 116.31 3hpa n ALA 107 Ca 0.03 -0.42 0.03 0.00 0.00 0.00 0.00 53.44 53.08 3hpa n ALA 107 Cb 0.41 -0.91 0.15 0.00 0.00 0.00 0.00 19.45 19.09 3hpa n ALA 107 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3hpa h GLN 108 N 0.00 0.25 -0.08 0.00 4.20 -1.29 -3.16 115.11 115.02 3hpa h GLN 108 Ca -0.04 -0.01 -0.09 0.00 0.06 0.00 0.00 58.65 58.56 3hpa h GLN 108 Cb 1.11 -0.06 -0.13 0.00 0.30 0.00 0.00 27.48 28.70 3hpa h GLN 108 CO 0.01 0.16 -0.65 0.09 -0.67 0.00 0.00 178.83 177.77 3hpa n ASN 109 N -5.16 1.87 -4.97 1.46 3.02 -1.26 -5.07 115.26 105.15 3hpa n ASN 109 Ca 0.12 -3.47 -0.21 0.00 -0.03 0.00 0.00 54.58 50.99 3hpa n ASN 109 Cb 0.40 -0.47 0.00 0.00 -0.61 0.00 0.00 39.78 39.10 3hpa n ASN 109 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3hpa s ALA 110 N -2.66 4.00 0.44 5.41 0.00 -1.20 -5.10 121.76 122.66 3hpa s ALA 110 Ca 0.38 -1.26 0.02 0.00 0.00 0.00 0.00 51.96 51.10 3hpa s ALA 110 Cb 0.38 -1.90 0.00 0.00 0.00 0.00 0.00 23.12 21.60 3hpa s ALA 110 CO -0.08 -0.18 0.64 -1.83 0.00 0.00 0.00 175.76 174.31 3hpa s GLU 111 N -4.34 2.99 0.29 0.00 1.03 -1.26 -4.75 118.70 112.65 3hpa s GLU 111 Ca 0.46 -0.67 0.04 0.00 0.03 0.00 0.00 54.97 54.82 3hpa s GLU 111 Cb -0.10 -2.61 0.75 0.00 -0.80 0.00 0.00 34.13 31.37 3hpa s GLU 111 CO 0.34 -0.27 1.42 -0.11 -1.33 0.00 0.00 175.26 175.31 3hpa n LEU 112 N -2.02 -0.06 -0.12 1.83 7.94 -1.26 -0.92 117.00 122.39 3hpa n LEU 112 Ca 0.02 1.54 -0.12 0.00 -1.11 0.00 0.00 56.01 56.34 3hpa n LEU 112 Cb 0.58 -0.58 -0.02 0.00 0.53 0.00 0.00 43.42 43.93 3hpa n LEU 112 CO 0.46 -1.57 0.64 -0.26 -1.11 0.00 0.00 177.39 175.54 3hpa h PHE 113 N 0.00 0.93 -0.31 1.96 0.04 -1.99 -0.39 116.94 117.19 3hpa h PHE 113 Ca 0.57 -0.24 -0.16 0.00 2.80 0.00 0.00 57.97 60.94 3hpa h PHE 113 Cb 1.23 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 3hpa h PHE 113 CO -0.41 1.00 -0.44 0.78 -0.60 0.00 0.00 178.31 178.64 3hpa h GLY 114 N 0.60 0.92 0.22 -1.45 0.00 -1.61 -0.71 103.07 101.03 3hpa h GLY 114 Ca 0.08 -1.01 0.10 0.00 0.00 0.00 0.00 47.33 46.49 3hpa h GLY 114 CO 0.06 0.91 0.04 -0.25 0.00 0.00 0.00 176.54 177.30 3hpa h TRP 115 N 0.62 0.03 0.25 5.60 7.01 -0.96 -1.78 115.95 126.72 3hpa h TRP 115 Ca 0.03 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.06 3hpa h TRP 115 Cb 1.04 0.06 0.00 0.00 -2.10 0.00 0.00 29.16 28.16 3hpa h TRP 115 CO 0.07 -0.08 -0.12 -0.07 -2.79 0.00 0.00 178.44 175.45 3hpa h LEU 116 N 0.15 -0.29 -0.90 0.65 3.38 -0.83 -2.23 115.31 115.24 3hpa h LEU 116 Ca 0.26 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3hpa h LEU 116 Cb 0.38 0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.16 3hpa h LEU 116 CO -0.39 0.02 0.59 0.71 0.09 0.00 0.00 178.44 179.46 3hpa h THR 117 N -0.61 1.21 -0.04 0.22 1.35 -0.95 -0.25 112.91 113.84 3hpa h THR 117 Ca -0.03 -0.41 -0.02 0.00 -0.55 0.00 0.00 66.41 65.39 3hpa h THR 117 Cb 0.44 -0.09 -0.00 0.00 -1.73 0.00 0.00 68.15 66.77 3hpa h THR 117 CO 0.06 0.22 -0.05 0.78 -0.25 0.00 0.00 175.52 176.27 3hpa h ASN 118 N 1.20 0.11 -0.52 5.36 4.21 -1.40 -3.12 115.58 121.42 3hpa h ASN 118 Ca 0.34 -0.53 -0.01 0.00 1.21 0.00 0.00 56.30 57.30 3hpa h ASN 118 Cb -0.11 -0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 37.03 3hpa h ASN 118 CO -0.08 0.62 0.28 -0.07 -1.29 0.00 0.00 177.43 176.89 3hpa h LEU 119 N -0.39 0.68 -1.40 1.61 3.38 -1.28 -1.99 115.31 115.92 3hpa h LEU 119 Ca 0.00 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 3hpa h LEU 119 Cb 0.59 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3hpa h LEU 119 CO 0.01 0.57 0.06 1.88 0.09 0.00 0.00 178.44 181.05 3hpa h TYR 120 N 0.77 0.46 0.00 1.13 0.05 -1.08 0.17 116.97 118.46 3hpa h TYR 120 Ca 0.19 -0.03 -0.02 0.00 0.05 0.00 0.00 58.73 58.93 3hpa h TYR 120 Cb 0.05 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 37.65 3hpa h TYR 120 CO 0.01 0.42 -0.09 0.87 -1.05 0.00 0.00 178.16 178.32 3hpa h LYS 121 N 0.45 0.00 0.00 4.88 1.57 -1.29 -1.71 116.57 120.47 3hpa h LYS 121 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3hpa h LYS 121 Cb 0.20 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 3hpa h LYS 121 CO -0.00 0.09 -0.49 0.82 -0.57 0.00 0.00 179.45 179.29 3hpa h ILE 122 N 0.00 0.76 -0.06 1.86 2.04 -1.18 -3.36 117.51 117.57 3hpa h ILE 122 Ca -0.00 -1.71 0.02 0.00 1.00 0.00 0.00 64.86 64.16 3hpa h ILE 122 Cb 0.16 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 37.81 3hpa h ILE 122 CO 0.01 0.26 0.22 -0.50 0.00 0.00 0.00 178.15 178.14 3hpa h TRP 123 N -1.00 0.00 0.00 1.37 6.55 -0.62 -1.11 115.95 121.15 3hpa h TRP 123 Ca -0.11 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.73 3hpa h TRP 123 Cb 0.77 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.07 3hpa h TRP 123 CO 0.06 0.00 0.00 0.00 -1.05 0.00 0.00 178.44 177.45 3hpa n ALA 124 N -2.05 1.51 -0.22 1.49 0.00 -0.65 -2.03 120.51 118.56 3hpa n ALA 124 Ca -0.01 -0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.48 3hpa n ALA 124 Cb 0.29 -1.18 0.23 0.00 0.00 0.00 0.00 19.45 18.80 3hpa n ALA 124 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3hpa n HIS 125 N -1.48 0.68 -1.80 0.00 8.25 -0.42 -4.78 115.22 115.67 3hpa n HIS 125 Ca 0.03 -0.47 -0.39 0.00 -0.26 0.00 0.00 57.72 56.63 3hpa n HIS 125 Cb 0.12 -0.01 0.03 0.00 1.12 0.00 0.00 29.99 31.25 3hpa n HIS 125 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hpa s LEU 126 N -1.03 3.92 0.25 2.41 1.02 -0.86 -5.00 118.68 119.40 3hpa s LEU 126 Ca 0.35 2.79 0.07 0.00 0.02 0.00 0.00 54.13 57.36 3hpa s LEU 126 Cb 0.19 -4.19 -0.05 0.00 0.02 0.00 0.00 46.19 42.16 3hpa s LEU 126 CO 0.24 -1.45 -0.09 0.42 0.02 0.00 0.00 176.35 175.49 3hpa s THR 127 N -1.29 1.70 0.25 5.49 -4.23 -1.26 -4.01 115.64 112.29 3hpa s THR 127 Ca 0.69 -2.17 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 3hpa s THR 127 Cb -0.41 -2.30 0.22 0.00 1.34 0.00 0.00 72.50 71.36 3hpa s THR 127 CO 0.49 -0.41 1.75 -0.65 -0.54 0.00 0.00 174.62 175.26 3hpa h PRO 128 N 2.38 0.51 -0.49 3.99 0.11 -1.83 -0.74 132.00 135.94 3hpa h PRO 128 Ca -0.39 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 3hpa h PRO 128 Cb 1.23 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.20 3hpa h PRO 128 CO 0.65 0.34 0.19 1.49 -0.21 0.00 0.00 178.00 180.46 3hpa h GLU 129 N 0.53 0.75 -0.95 1.05 4.81 -1.97 -1.92 114.58 116.88 3hpa h GLU 129 Ca 0.43 -0.14 0.04 0.00 -0.13 0.00 0.00 59.36 59.56 3hpa h GLU 129 Cb 0.62 -0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.82 3hpa h GLU 129 CO -0.38 0.67 0.62 0.52 -0.73 0.00 0.00 179.01 179.71 3hpa h MET 130 N 0.66 1.13 -0.74 1.92 2.86 -1.59 0.22 114.93 119.40 3hpa h MET 130 Ca 0.16 -0.07 -0.06 0.00 -2.06 0.00 0.00 59.70 57.68 3hpa h MET 130 Cb 0.21 -0.26 -0.03 0.00 0.06 0.00 0.00 31.60 31.58 3hpa h MET 130 CO -0.01 0.75 0.23 0.82 1.06 0.00 0.00 176.91 179.75 3hpa h ILE 131 N 1.17 1.26 0.08 -1.22 1.08 -0.89 0.13 117.51 119.12 3hpa h ILE 131 Ca 0.38 -0.92 -0.00 0.00 -0.39 0.00 0.00 64.86 63.93 3hpa h ILE 131 Cb 0.05 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.25 3hpa h ILE 131 CO -0.13 0.36 -0.04 -0.08 -0.69 0.00 0.00 178.15 177.58 3hpa h GLU 132 N 1.10 -0.10 -0.38 2.37 4.81 -0.41 -2.48 114.58 119.50 3hpa h GLU 132 Ca 0.24 0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.46 3hpa h GLU 132 Cb 0.31 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.70 3hpa h GLU 132 CO -0.01 0.26 0.17 0.28 -0.73 0.00 0.00 179.01 178.98 3hpa h VAL 133 N -0.48 1.18 -0.51 0.32 2.07 -0.55 -2.46 116.25 115.83 3hpa h VAL 133 Ca -0.01 -0.52 -0.03 0.00 0.82 0.00 0.00 66.70 66.96 3hpa h VAL 133 Cb 0.41 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3hpa h VAL 133 CO 0.02 0.19 0.17 0.77 0.02 0.00 0.00 177.57 178.74 3hpa h SER 134 N 0.47 0.68 -0.41 0.57 4.64 -1.04 -0.96 113.55 117.50 3hpa h SER 134 Ca 0.13 -0.09 -0.02 0.00 -0.47 0.00 0.00 61.79 61.34 3hpa h SER 134 Cb 0.14 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 62.04 3hpa h SER 134 CO -0.01 0.63 0.20 0.74 -0.87 0.00 0.00 176.83 177.52 3hpa h THR 135 N 0.73 1.18 -0.45 2.95 2.02 -1.21 0.35 112.91 118.48 3hpa h THR 135 Ca 0.17 -0.50 0.01 0.00 0.77 0.00 0.00 66.41 66.86 3hpa h THR 135 Cb 0.19 0.75 -0.02 0.00 -1.74 0.00 0.00 68.15 67.33 3hpa h THR 135 CO -0.01 0.19 0.29 -0.07 0.37 0.00 0.00 175.52 176.29 3hpa h LEU 136 N 0.53 0.51 -0.09 2.58 3.38 -0.91 -0.61 115.31 120.69 3hpa h LEU 136 Ca 0.14 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.09 3hpa h LEU 136 Cb 0.12 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hpa h LEU 136 CO -0.02 0.37 0.03 0.74 0.09 0.00 0.00 178.44 179.65 3hpa h THR 137 N 0.60 1.16 -0.41 0.22 2.02 -0.95 -1.30 112.91 114.25 3hpa h THR 137 Ca 0.16 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.87 3hpa h THR 137 Cb -0.07 1.30 -0.02 0.00 -1.74 0.00 0.00 68.15 67.62 3hpa h THR 137 CO -0.04 0.14 0.23 0.00 0.37 0.00 0.00 175.52 176.22 3hpa h ALA 138 N 0.86 0.53 -0.49 6.16 0.00 -0.79 -2.11 119.26 123.42 3hpa h ALA 138 Ca 0.03 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hpa h ALA 138 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3hpa h ALA 138 CO -0.00 0.05 0.15 0.52 0.00 0.00 0.00 179.25 179.97 3hpa h MET 139 N 0.54 0.73 -0.59 0.00 2.07 -1.04 -2.23 114.93 114.41 3hpa h MET 139 Ca 0.15 -0.12 -0.04 0.00 -2.07 0.00 0.00 59.70 57.62 3hpa h MET 139 Cb 0.05 -0.12 -0.03 0.00 -1.87 0.00 0.00 31.60 29.63 3hpa h MET 139 CO -0.02 0.64 0.23 0.00 1.07 0.00 0.00 176.91 178.82 3hpa h ALA 140 N 1.46 0.77 -0.68 6.32 0.00 -0.87 0.86 119.26 127.10 3hpa h ALA 140 Ca 0.17 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 3hpa h ALA 140 Cb 0.22 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3hpa h ALA 140 CO -0.01 0.39 0.23 1.49 0.00 0.00 0.00 179.25 181.36 3hpa h GLU 141 N 0.82 1.04 -0.16 0.00 4.81 -0.97 -1.24 114.58 118.88 3hpa h GLU 141 Ca 0.20 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 3hpa h GLU 141 Cb 0.22 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.43 3hpa h GLU 141 CO -0.01 0.87 -0.15 -0.07 -0.73 0.00 0.00 179.01 178.92 3hpa h LEU 142 N 1.00 0.40 -0.89 1.64 3.38 -1.00 -3.06 115.31 116.78 3hpa h LEU 142 Ca 0.23 -0.47 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 3hpa h LEU 142 Cb 0.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 3hpa h LEU 142 CO -0.01 0.79 0.44 -0.07 0.09 0.00 0.00 178.44 179.68 3hpa h LEU 143 N 0.02 1.11 0.00 1.67 3.38 -0.75 0.14 115.31 120.88 3hpa h LEU 143 Ca 0.03 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3hpa h LEU 143 Cb 0.67 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3hpa h LEU 143 CO 0.04 0.92 0.00 0.00 0.09 0.00 0.00 178.44 179.48 3hpa n GLN 144 N -4.31 0.42 -0.03 1.13 6.02 -0.48 -2.47 117.38 117.66 3hpa n GLN 144 Ca 0.09 0.06 0.03 0.00 -0.01 0.00 0.00 57.00 57.16 3hpa n GLN 144 Cb 0.13 -1.50 0.04 0.00 1.02 0.00 0.00 30.24 29.93 3hpa n GLN 144 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3hpa n SER 145 N -1.15 2.16 0.00 1.08 3.41 -0.65 -2.04 113.62 116.43 3hpa n SER 145 Ca 0.11 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.47 3hpa n SER 145 Cb 0.11 -0.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3hpa n SER 145 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hpa n GLY 146 N -0.65 0.47 3.63 5.00 0.00 -1.03 -3.74 105.19 108.85 3hpa n GLY 146 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 3hpa n GLY 146 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpa n THR 148 N 5.36 0.00 -4.33 0.00 -2.24 -0.29 -3.46 114.28 109.31 3hpa n THR 148 Ca 0.03 -0.32 -0.20 0.00 -2.27 0.00 0.00 64.05 61.29 3hpa n THR 148 Cb 0.48 0.32 -0.16 0.00 -2.10 0.00 0.00 70.33 68.88 3hpa n THR 148 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 3hpa s THR 149 N -2.98 0.72 -0.04 4.28 2.01 -1.17 -2.53 115.64 115.92 3hpa s THR 149 Ca -0.03 -0.31 -0.13 0.00 0.31 0.00 0.00 61.69 61.53 3hpa s THR 149 Cb 0.11 -0.65 0.02 0.00 0.01 0.00 0.00 72.50 71.99 3hpa s THR 149 CO 0.67 0.23 0.30 -0.55 -0.69 0.00 0.00 174.62 174.58 3hpa s SER 150 N 0.33 -0.21 0.44 3.53 0.15 -0.64 -0.60 113.70 116.70 3hpa s SER 150 Ca -0.05 0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.89 3hpa s SER 150 Cb -0.10 0.40 -0.01 0.00 -1.71 0.00 0.00 66.02 64.60 3hpa s SER 150 CO 0.01 -0.35 0.42 -0.94 1.20 0.00 0.00 173.24 173.57 3hpa s SER 151 N -0.93 5.06 0.22 5.45 1.04 -1.00 -0.98 113.70 122.56 3hpa s SER 151 Ca -0.10 -0.78 -0.05 0.00 0.48 0.00 0.00 55.95 55.50 3hpa s SER 151 Cb -0.05 -0.43 -0.03 0.00 0.10 0.00 0.00 66.02 65.62 3hpa s SER 151 CO 0.03 -0.75 0.27 -0.62 0.98 0.00 0.00 173.24 173.15 3hpa s ASP 152 N -4.19 0.09 -0.42 7.02 2.15 -1.01 -4.32 116.67 115.98 3hpa s ASP 152 Ca 0.48 -1.22 0.06 0.00 0.43 0.00 0.00 52.55 52.30 3hpa s ASP 152 Cb -0.04 0.46 0.21 0.00 -0.30 0.00 0.00 42.92 43.26 3hpa s ASP 152 CO 0.28 -0.96 0.49 1.57 -0.17 0.00 0.00 175.17 176.39 3hpa n HIS 153 N -0.32 -1.15 -2.85 -5.34 -0.00 0.15 -3.57 115.22 102.15 3hpa n HIS 153 Ca 0.01 -3.12 -0.43 0.00 -0.00 0.00 0.00 57.72 54.18 3hpa n HIS 153 Cb 0.64 0.22 -0.04 0.00 -0.00 0.00 0.00 29.99 30.81 3hpa n HIS 153 CO 0.00 0.00 0.00 -1.17 -0.00 0.00 0.00 176.34 175.17 3hpa s LEU 154 N -0.46 4.21 0.00 0.27 2.96 -1.26 -4.63 118.68 119.77 3hpa s LEU 154 Ca 0.34 -0.60 0.19 0.00 -0.22 0.00 0.00 54.13 53.83 3hpa s LEU 154 Cb 0.11 -2.66 0.38 0.00 0.50 0.00 0.00 46.19 44.53 3hpa s LEU 154 CO -0.15 -1.30 1.32 0.00 -1.32 0.00 0.00 176.35 174.89 3hpa n TYR 155 N 7.55 0.49 -4.38 5.38 0.18 -1.26 -1.99 117.16 123.12 3hpa n TYR 155 Ca -0.01 -0.30 -0.19 0.00 1.88 0.00 0.00 57.90 59.28 3hpa n TYR 155 Cb 0.47 -0.01 -0.14 0.00 -0.38 0.00 0.00 39.34 39.28 3hpa n TYR 155 CO 0.00 0.00 0.00 0.96 -2.08 0.00 0.00 176.86 175.74 3hpa s ILE 156 N -1.25 0.81 -0.43 -3.48 -4.36 -1.26 -3.77 121.20 107.46 3hpa s ILE 156 Ca 0.34 -0.55 0.08 0.00 -0.26 0.00 0.00 60.65 60.25 3hpa s ILE 156 Cb 0.19 -0.70 0.25 0.00 1.25 0.00 0.00 42.46 43.45 3hpa s ILE 156 CO 0.26 0.15 0.54 -1.22 0.24 0.00 0.00 174.94 174.91 3hpa n TYR 157 N 2.61 0.19 -1.92 1.37 4.01 -1.26 -4.99 117.16 117.17 3hpa n TYR 157 Ca -0.15 -3.64 -0.31 0.00 -0.16 0.00 0.00 57.90 53.65 3hpa n TYR 157 Cb 0.56 -0.35 0.01 0.00 -0.31 0.00 0.00 39.34 39.25 3hpa n TYR 157 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3hpa s PRO 158 N -1.30 3.62 -1.60 -0.72 0.04 -1.26 -4.13 135.00 129.66 3hpa s PRO 158 Ca 0.36 0.76 -0.10 0.00 0.04 0.00 0.00 61.00 62.05 3hpa s PRO 158 Cb 0.16 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.70 3hpa s PRO 158 CO -0.10 -0.54 0.54 0.09 0.04 0.00 0.00 177.00 177.02 3hpa n ASN 159 N -2.66 -1.59 0.00 6.66 4.13 -1.26 -0.92 115.26 119.62 3hpa n ASN 159 Ca 0.06 -1.06 0.00 0.00 1.68 0.00 0.00 54.58 55.26 3hpa n ASN 159 Cb 0.54 -2.62 0.00 0.00 -1.54 0.00 0.00 39.78 36.16 3hpa n ASN 159 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3hpa n GLY 160 N -1.74 0.47 3.73 7.41 0.00 -1.26 -4.40 105.19 109.40 3hpa n GLY 160 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 3hpa n GLY 160 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hpa s SER 161 N -2.03 4.04 0.09 1.61 0.01 -0.10 -4.79 113.70 112.53 3hpa s SER 161 Ca 0.00 2.02 -0.12 0.00 1.31 0.00 0.00 55.95 59.16 3hpa s SER 161 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.70 3hpa s SER 161 CO 0.00 -2.35 0.28 -0.13 0.41 0.00 0.00 173.24 171.45 3hpa s ARG 162 N -4.61 0.90 0.47 12.44 0.52 -1.26 -4.73 118.95 122.69 3hpa s ARG 162 Ca 0.65 -0.78 0.14 0.00 -0.52 0.00 0.00 55.73 55.21 3hpa s ARG 162 Cb -0.21 0.38 1.11 0.00 0.52 0.00 0.00 34.95 36.76 3hpa s ARG 162 CO 0.54 -0.31 2.09 1.25 0.02 0.00 0.00 175.30 178.88 3hpa h LEU 163 N 2.73 0.20 -1.24 2.53 6.46 -1.96 -1.00 115.31 123.03 3hpa h LEU 163 Ca -0.34 -0.00 0.19 0.00 -0.12 0.00 0.00 57.88 57.61 3hpa h LEU 163 Cb 1.22 -0.05 -0.09 0.00 -0.73 0.00 0.00 40.66 41.01 3hpa h LEU 163 CO 0.51 0.14 0.61 0.44 -0.62 0.00 0.00 178.44 179.52 3hpa h ASP 164 N 0.24 0.62 -0.67 1.25 3.32 -1.99 0.41 116.42 119.59 3hpa h ASP 164 Ca 0.11 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3hpa h ASP 164 Cb 0.14 -0.05 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 3hpa h ASP 164 CO -0.02 0.24 0.36 0.44 -1.72 0.00 0.00 179.24 178.54 3hpa h ASP 165 N 0.62 0.87 -0.08 6.45 3.32 -1.54 -1.48 116.42 124.57 3hpa h ASP 165 Ca 0.53 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 57.32 3hpa h ASP 165 Cb 1.01 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 40.35 3hpa h ASP 165 CO -0.28 0.72 -0.65 0.28 -1.72 0.00 0.00 179.24 177.58 3hpa h SER 166 N 0.97 0.72 -0.80 6.45 0.02 -1.06 -3.17 113.55 116.69 3hpa h SER 166 Ca 0.24 -0.67 0.03 0.00 -0.84 0.00 0.00 61.79 60.56 3hpa h SER 166 Cb 0.06 -0.21 -0.05 0.00 0.14 0.00 0.00 62.40 62.34 3hpa h SER 166 CO -0.04 1.28 0.53 0.40 -1.14 0.00 0.00 176.83 177.86 3hpa h ILE 167 N 0.21 1.13 -0.59 3.27 2.04 -0.97 -1.00 117.51 121.60 3hpa h ILE 167 Ca -0.06 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 3hpa h ILE 167 Cb 1.31 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 3hpa h ILE 167 CO 0.13 0.18 0.02 1.23 0.00 0.00 0.00 178.15 179.71 3hpa h GLY 168 N 0.99 1.11 0.98 5.37 0.00 -1.33 -1.86 103.07 108.34 3hpa h GLY 168 Ca 0.32 -0.81 -0.03 0.00 0.00 0.00 0.00 47.33 46.81 3hpa h GLY 168 CO -0.09 0.74 0.23 0.00 0.00 0.00 0.00 176.54 177.42 3hpa h ALA 169 N 0.98 0.71 -0.74 3.60 0.00 -1.29 -1.94 119.26 120.59 3hpa h ALA 169 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3hpa h ALA 169 Cb 0.53 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.07 3hpa h ALA 169 CO 0.03 0.31 0.34 0.00 0.00 0.00 0.00 179.25 179.93 3hpa h ALA 170 N 1.08 1.21 -0.21 0.00 0.00 -1.01 -1.47 119.26 118.86 3hpa h ALA 170 Ca 0.19 -0.15 -0.12 0.00 0.00 0.00 0.00 54.91 54.82 3hpa h ALA 170 Cb 0.18 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3hpa h ALA 170 CO -0.02 0.60 -0.38 1.96 0.00 0.00 0.00 179.25 181.41 3hpa h GLN 171 N 1.05 0.46 -0.22 0.00 4.20 -1.03 -1.53 115.11 118.05 3hpa h GLN 171 Ca 0.25 -0.22 -0.20 0.00 0.06 0.00 0.00 58.65 58.54 3hpa h GLN 171 Cb 0.12 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.91 3hpa h GLN 171 CO -0.03 0.78 -0.66 -0.09 -0.67 0.00 0.00 178.83 178.16 3hpa h ARG 172 N 0.39 0.83 0.00 1.46 2.43 -0.89 -3.27 114.38 115.33 3hpa h ARG 172 Ca 0.04 -0.59 -0.06 0.00 -0.81 0.00 0.00 59.98 58.55 3hpa h ARG 172 Cb 0.85 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 3hpa h ARG 172 CO 0.07 1.22 -0.31 0.97 -1.51 0.00 0.00 179.97 180.40 3hpa h ILE 173 N 0.61 0.50 0.00 1.20 2.10 -1.24 -3.45 117.51 117.22 3hpa h ILE 173 Ca -0.02 -1.70 0.00 0.00 1.08 0.00 0.00 64.86 64.22 3hpa h ILE 173 Cb 1.27 2.24 0.00 0.00 -1.09 0.00 0.00 36.82 39.24 3hpa h ILE 173 CO 0.14 0.28 0.00 0.61 -1.08 0.00 0.00 178.15 178.10 3hpa n GLY 174 N 1.18 1.03 3.84 8.18 0.00 -0.59 -4.75 105.19 114.08 3hpa n GLY 174 Ca 0.03 -0.51 -0.37 0.00 0.00 0.00 0.00 46.02 45.17 3hpa n GLY 174 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3hpa s MET 175 N -2.43 3.67 0.02 1.61 0.00 -1.16 -4.82 119.30 116.19 3hpa s MET 175 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 55.69 55.26 3hpa s MET 175 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 34.83 31.51 3hpa s MET 175 CO 0.00 0.64 1.55 0.50 0.00 0.00 0.00 175.02 177.71 3hpa s ARG 176 N -0.64 4.23 -0.03 4.11 3.52 -1.05 -4.80 118.95 124.29 3hpa s ARG 176 Ca 0.14 2.16 0.07 0.00 -0.13 0.00 0.00 55.73 57.96 3hpa s ARG 176 Cb -0.12 -3.67 -0.02 0.00 -1.56 0.00 0.00 34.95 29.59 3hpa s ARG 176 CO 0.03 -0.70 -0.23 0.12 -0.81 0.00 0.00 175.30 173.71 3hpa s PHE 177 N 2.84 2.08 -0.53 5.12 5.36 0.27 -1.62 117.98 131.50 3hpa s PHE 177 Ca 0.70 -0.45 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 3hpa s PHE 177 Cb -0.35 -1.35 0.14 0.00 -0.34 0.00 0.00 43.02 41.12 3hpa s PHE 177 CO 0.29 -0.08 0.31 -1.01 -1.46 0.00 0.00 175.22 173.27 3hpa s HIS 178 N -0.42 3.37 -0.18 10.12 3.76 -0.15 -1.44 115.29 130.34 3hpa s HIS 178 Ca 0.06 -2.91 -0.29 0.00 -0.15 0.00 0.00 55.06 51.76 3hpa s HIS 178 Cb -0.10 -3.02 -0.00 0.00 1.11 0.00 0.00 32.58 30.57 3hpa s HIS 178 CO 0.00 -0.82 1.05 0.00 -0.85 0.00 0.00 174.74 174.12 3hpa s ALA 179 N 0.05 3.59 -0.11 -1.40 0.00 0.23 -2.40 121.76 121.72 3hpa s ALA 179 Ca 0.16 0.28 -0.09 0.00 0.00 0.00 0.00 51.96 52.31 3hpa s ALA 179 Cb -0.23 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.33 3hpa s ALA 179 CO -0.03 -0.91 0.19 -1.12 0.00 0.00 0.00 175.76 173.89 3hpa s SER 180 N 1.24 6.44 -0.98 0.00 0.01 -1.23 -0.92 113.70 118.25 3hpa s SER 180 Ca 0.47 0.53 -0.11 0.00 1.31 0.00 0.00 55.95 58.15 3hpa s SER 180 Cb -0.17 -2.11 0.25 0.00 0.21 0.00 0.00 66.02 64.21 3hpa s SER 180 CO 0.11 0.36 0.95 -0.60 0.41 0.00 0.00 173.24 174.47 3hpa s ARG 181 N -0.84 3.90 0.79 12.44 3.00 0.47 -4.12 118.95 134.58 3hpa s ARG 181 Ca 0.16 -2.91 -0.12 0.00 -1.00 0.00 0.00 55.73 51.86 3hpa s ARG 181 Cb -0.13 -4.47 0.07 0.00 0.00 0.00 0.00 34.95 30.42 3hpa s ARG 181 CO 0.05 -1.26 1.13 0.20 0.00 0.00 0.00 175.30 175.42 3hpa s GLY 182 N 1.59 1.61 -0.10 8.12 0.00 -0.84 -2.39 107.32 115.31 3hpa s GLY 182 Ca 0.25 -0.45 -0.30 0.00 0.00 0.00 0.00 44.72 44.22 3hpa s GLY 182 CO -0.08 0.00 0.99 0.00 0.00 0.00 0.00 173.10 174.00 3hpa s ALA 183 N -3.38 -1.91 0.05 3.20 0.00 -1.21 -4.50 121.76 114.00 3hpa s ALA 183 Ca 0.61 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.93 3hpa s ALA 183 Cb -0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 3hpa s ALA 183 CO 0.52 -0.52 -0.07 -1.64 0.00 0.00 0.00 175.76 174.05 3hpa s MET 184 N -2.19 0.54 0.36 0.00 -1.94 -1.25 -1.51 119.30 113.31 3hpa s MET 184 Ca 0.03 -0.83 0.05 0.00 -1.71 0.00 0.00 55.69 53.23 3hpa s MET 184 Cb -0.01 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.60 3hpa s MET 184 CO -0.04 0.02 0.18 -1.12 -0.01 0.00 0.00 175.02 174.05 3hpa s SER 185 N -1.80 2.16 0.00 3.03 0.01 -0.17 -5.01 113.70 111.92 3hpa s SER 185 Ca -0.07 -1.67 0.00 0.00 1.31 0.00 0.00 55.95 55.52 3hpa s SER 185 Cb -0.07 0.49 0.00 0.00 0.21 0.00 0.00 66.02 66.65 3hpa s SER 185 CO -0.01 -0.96 0.00 1.21 0.41 0.00 0.00 173.24 173.90 3hpa n GLU 202 N -0.75 0.00 0.24 12.44 2.13 -1.26 -4.77 120.64 128.67 3hpa n GLU 202 Ca -0.01 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.88 3hpa n GLU 202 Cb 0.64 0.00 0.57 0.00 0.27 0.00 0.00 31.44 32.93 3hpa n GLU 202 CO 0.00 0.00 0.00 -1.35 -0.41 0.00 0.00 177.13 175.37 3hpa h PRO 203 N 0.00 0.00 -0.01 5.31 0.11 -2.02 -1.50 132.00 133.89 3hpa h PRO 203 Ca 0.00 0.00 -0.14 0.00 0.11 0.00 0.00 66.00 65.97 3hpa h PRO 203 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 3hpa h PRO 203 CO 0.00 0.11 -0.63 -0.44 -0.21 0.00 0.00 178.00 176.82 3hpa h ASP 204 N 0.00 0.04 -0.04 -2.05 3.32 -2.04 -3.10 116.42 112.54 3hpa h ASP 204 Ca -0.00 -0.02 0.03 0.00 0.02 0.00 0.00 57.03 57.06 3hpa h ASP 204 Cb 0.19 -0.01 -0.04 0.00 0.22 0.00 0.00 39.33 39.69 3hpa h ASP 204 CO 0.01 0.66 -0.17 0.40 -1.72 0.00 0.00 179.24 178.42 3hpa h ILE 205 N 0.02 0.58 -0.64 0.35 1.08 -1.71 -1.89 117.51 115.30 3hpa h ILE 205 Ca -0.01 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.41 3hpa h ILE 205 Cb 1.13 0.58 -0.03 0.00 -3.07 0.00 0.00 36.82 35.43 3hpa h ILE 205 CO 0.08 0.00 0.20 -0.07 -0.69 0.00 0.00 178.15 177.68 3hpa h LEU 206 N -0.26 0.90 -0.36 1.44 3.38 -1.54 -1.05 115.31 117.81 3hpa h LEU 206 Ca 0.07 -0.15 -0.07 0.00 0.09 0.00 0.00 57.88 57.81 3hpa h LEU 206 Cb 0.35 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3hpa h LEU 206 CO -0.19 0.84 -0.06 0.03 0.09 0.00 0.00 178.44 179.15 3hpa h ARG 207 N 0.94 0.68 -0.31 1.13 3.08 -1.43 -1.42 114.38 117.04 3hpa h ARG 207 Ca 0.21 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.99 3hpa h ARG 207 Cb 0.26 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.25 3hpa h ARG 207 CO -0.01 0.82 0.09 0.22 -1.07 0.00 0.00 179.97 180.02 3hpa h ASP 208 N 0.48 0.46 -0.66 7.04 -0.00 -1.24 -0.08 116.42 122.42 3hpa h ASP 208 Ca 0.10 -0.21 0.09 0.00 -0.00 0.00 0.00 57.03 57.01 3hpa h ASP 208 Cb 0.55 -0.12 -0.07 0.00 -0.00 0.00 0.00 39.33 39.69 3hpa h ASP 208 CO 0.03 0.55 0.29 0.74 -0.00 0.00 0.00 179.24 180.85 3hpa h THR 209 N 0.35 0.80 -0.32 2.25 2.02 -1.08 0.81 112.91 117.74 3hpa h THR 209 Ca 0.10 -0.17 -0.06 0.00 0.77 0.00 0.00 66.41 67.05 3hpa h THR 209 Cb 0.26 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3hpa h THR 209 CO -0.00 0.09 -0.04 -0.61 0.37 0.00 0.00 175.52 175.33 3hpa h GLN 210 N 0.50 0.60 -0.35 6.66 4.15 -0.97 -2.12 115.11 123.58 3hpa h GLN 210 Ca 0.33 -0.21 0.07 0.00 0.77 0.00 0.00 58.65 59.60 3hpa h GLN 210 Cb 0.38 -0.04 -0.06 0.00 0.21 0.00 0.00 27.48 27.97 3hpa h GLN 210 CO -0.29 0.76 -0.03 -0.09 -1.93 0.00 0.00 178.83 177.25 3hpa h ARG 211 N 0.39 0.06 -0.73 1.69 2.43 0.06 -1.40 114.38 116.89 3hpa h ARG 211 Ca 0.09 -0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.22 3hpa h ARG 211 Cb 0.52 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3hpa h ARG 211 CO 0.03 0.04 0.31 -0.07 -1.51 0.00 0.00 179.97 178.77 3hpa h LEU 212 N 0.06 0.99 0.02 3.80 3.38 -0.81 -0.87 115.31 121.89 3hpa h LEU 212 Ca 0.17 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hpa h LEU 212 Cb 0.24 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3hpa h LEU 212 CO -0.31 0.87 -0.01 0.40 0.09 0.00 0.00 178.44 179.49 3hpa h ILE 213 N 1.04 1.09 -0.73 1.22 2.04 -0.92 0.79 117.51 122.04 3hpa h ILE 213 Ca 0.25 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3hpa h ILE 213 Cb 0.18 1.30 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 3hpa h ILE 213 CO -0.02 0.08 0.45 -0.33 0.00 0.00 0.00 178.15 178.33 3hpa h GLU 214 N -0.16 0.98 0.02 2.37 5.08 -1.18 -1.18 114.58 120.52 3hpa h GLU 214 Ca -0.00 -0.08 -0.07 0.00 -1.00 0.00 0.00 59.36 58.21 3hpa h GLU 214 Cb 0.15 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.19 3hpa h GLU 214 CO 0.00 0.68 -0.28 1.15 -1.00 0.00 0.00 179.01 179.56 3hpa h THR 215 N 1.00 1.60 0.00 1.13 2.02 -0.94 -3.42 112.91 114.30 3hpa h THR 215 Ca 0.26 -2.14 -0.07 0.00 0.77 0.00 0.00 66.41 65.24 3hpa h THR 215 Cb -0.06 2.99 -0.01 0.00 -1.74 0.00 0.00 68.15 69.32 3hpa h THR 215 CO -0.05 0.58 -1.72 -1.22 0.37 0.00 0.00 175.52 173.48 3hpa n TYR 216 N -4.47 0.00 -2.00 3.16 4.01 0.25 -5.01 117.16 113.11 3hpa n TYR 216 Ca -0.10 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.21 3hpa n TYR 216 Cb 0.55 -0.42 -0.03 0.00 -0.31 0.00 0.00 39.34 39.13 3hpa n TYR 216 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3hpa s HIS 217 N -2.77 2.20 -0.32 -0.72 2.46 -0.45 -4.56 115.29 111.13 3hpa s HIS 217 Ca -0.06 0.29 -0.02 0.00 0.47 0.00 0.00 55.06 55.74 3hpa s HIS 217 Cb 0.07 -3.91 0.06 0.00 -0.13 0.00 0.00 32.58 28.67 3hpa s HIS 217 CO 0.57 -3.75 0.04 0.34 -2.47 0.00 0.00 174.74 169.47 3hpa s ASP 218 N 2.90 4.96 0.00 9.88 -1.08 -0.98 -4.94 116.67 127.41 3hpa s ASP 218 Ca 0.73 -1.43 0.28 0.00 -0.52 0.00 0.00 52.55 51.62 3hpa s ASP 218 Cb -0.35 -1.73 1.16 0.00 -1.46 0.00 0.00 42.92 40.54 3hpa s ASP 218 CO 0.30 -0.31 1.83 -1.84 0.52 0.00 0.00 175.17 175.67 3hpa n GLU 219 N 4.61 0.55 -1.41 4.34 0.28 -1.26 -4.72 120.64 123.03 3hpa n GLU 219 Ca -0.11 -0.18 -0.32 0.00 -0.16 0.00 0.00 57.16 56.39 3hpa n GLU 219 Cb 0.43 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.89 3hpa n GLU 219 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 3hpa s GLY 220 N -2.58 1.99 0.38 -1.84 0.00 -1.26 -4.96 107.32 99.05 3hpa s GLY 220 Ca 0.26 0.54 -0.27 0.00 0.00 0.00 0.00 44.72 45.24 3hpa s GLY 220 CO 0.50 0.91 1.37 -1.60 0.00 0.00 0.00 173.10 174.28 3hpa s ARG 221 N -4.36 4.09 -0.48 2.90 6.06 -1.26 -2.65 118.95 123.24 3hpa s ARG 221 Ca 0.67 2.32 0.00 0.00 -2.50 0.00 0.00 55.73 56.22 3hpa s ARG 221 Cb -0.21 -2.90 0.00 0.00 0.06 0.00 0.00 34.95 31.90 3hpa s ARG 221 CO 0.49 -0.45 0.00 0.66 -2.50 0.00 0.00 175.30 173.49 3hpa n TYR 222 N 0.38 0.00 -1.75 5.12 4.01 -1.26 -4.99 117.16 118.67 3hpa n TYR 222 Ca 0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.34 3hpa n TYR 222 Cb 0.42 -1.15 -0.01 0.00 -0.31 0.00 0.00 39.34 38.29 3hpa n TYR 222 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hpa n ALA 223 N 1.08 2.36 1.04 -0.72 0.00 -1.08 -4.89 120.51 118.30 3hpa n ALA 223 Ca -0.05 0.36 0.11 0.00 0.00 0.00 0.00 53.44 53.87 3hpa n ALA 223 Cb 0.16 -2.43 0.05 0.00 0.00 0.00 0.00 19.45 17.24 3hpa n ALA 223 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3hpa n MET 224 N 1.52 0.57 -3.75 0.00 2.81 -1.26 -4.84 117.12 112.17 3hpa n MET 224 Ca 0.06 -0.44 -0.13 0.00 -1.81 0.00 0.00 57.70 55.37 3hpa n MET 224 Cb 0.37 -1.49 -0.14 0.00 -0.71 0.00 0.00 33.22 31.25 3hpa n MET 224 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 3hpa s LEU 225 N -2.73 0.77 -0.01 4.03 0.20 -1.25 -0.56 118.68 119.13 3hpa s LEU 225 Ca 0.15 0.30 -0.07 0.00 0.69 0.00 0.00 54.13 55.20 3hpa s LEU 225 Cb 0.17 0.37 0.00 0.00 -0.43 0.00 0.00 46.19 46.31 3hpa s LEU 225 CO 0.68 -0.14 0.13 -0.13 -0.29 0.00 0.00 176.35 176.60 3hpa s ARG 226 N 1.10 0.43 0.10 1.98 0.52 -0.52 -2.32 118.95 120.24 3hpa s ARG 226 Ca -0.08 -0.32 0.04 0.00 -0.52 0.00 0.00 55.73 54.84 3hpa s ARG 226 Cb -0.11 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.50 3hpa s ARG 226 CO -0.06 -0.10 0.09 0.08 0.02 0.00 0.00 175.30 175.34 3hpa s VAL 227 N -1.17 4.51 -0.01 3.52 1.01 -1.26 -0.60 120.40 126.40 3hpa s VAL 227 Ca -0.13 -0.85 0.01 0.00 0.00 0.00 0.00 61.98 61.01 3hpa s VAL 227 Cb -0.07 -3.21 0.01 0.00 0.00 0.00 0.00 36.38 33.11 3hpa s VAL 227 CO 0.01 0.06 -0.03 0.54 0.00 0.00 0.00 175.10 175.69 3hpa s VAL 228 N -1.48 0.26 -0.23 2.92 0.11 -0.10 -4.26 120.40 117.62 3hpa s VAL 228 Ca 0.30 -0.09 -0.26 0.00 -2.93 0.00 0.00 61.98 58.99 3hpa s VAL 228 Cb -0.12 -0.26 -0.00 0.00 -1.53 0.00 0.00 36.38 34.47 3hpa s VAL 228 CO 0.22 0.10 0.90 -0.69 -3.33 0.00 0.00 175.10 172.31 3hpa s VAL 229 N 0.23 4.79 -0.40 2.04 1.01 -0.89 -0.40 120.40 126.77 3hpa s VAL 229 Ca -0.02 1.73 0.07 0.00 0.00 0.00 0.00 61.98 63.76 3hpa s VAL 229 Cb -0.05 -4.18 0.23 0.00 0.00 0.00 0.00 36.38 32.38 3hpa s VAL 229 CO -0.00 -0.10 0.51 0.00 0.00 0.00 0.00 175.10 175.50 3hpa n ALA 230 N 6.06 2.16 -1.78 5.51 0.00 -1.01 -1.83 120.51 129.63 3hpa n ALA 230 Ca 0.08 -3.14 -0.41 0.00 0.00 0.00 0.00 53.44 49.96 3hpa n ALA 230 Cb 0.47 -0.85 -0.01 0.00 0.00 0.00 0.00 19.45 19.06 3hpa n ALA 230 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hpa s PRO 231 N -0.73 4.15 0.31 0.00 0.04 -1.25 -3.33 135.00 134.20 3hpa s PRO 231 Ca 0.34 2.51 0.10 0.00 0.04 0.00 0.00 61.00 63.99 3hpa s PRO 231 Cb 0.14 -3.01 0.96 0.00 0.04 0.00 0.00 34.50 32.63 3hpa s PRO 231 CO -0.14 -0.51 1.45 0.00 0.04 0.00 0.00 177.00 177.85 3hpa s SER 233 N -4.80 -0.13 0.21 0.00 1.04 -1.26 -1.83 113.70 106.94 3hpa s SER 233 Ca -0.10 -0.26 0.23 0.00 0.48 0.00 0.00 55.95 56.29 3hpa s SER 233 Cb 0.29 0.33 0.92 0.00 0.10 0.00 0.00 66.02 67.67 3hpa s SER 233 CO 0.72 -0.61 1.69 -0.81 0.98 0.00 0.00 173.24 175.21 3hpa n PRO 234 N -0.46 0.17 -0.29 4.02 -0.04 -1.26 -2.41 135.00 134.73 3hpa n PRO 234 Ca -0.07 0.37 0.10 0.00 -0.04 0.00 0.00 63.50 63.86 3hpa n PRO 234 Cb 0.62 -1.81 0.26 0.00 -0.04 0.00 0.00 33.50 32.53 3hpa n PRO 234 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 3hpa n PHE 235 N -2.13 0.76 0.47 0.54 3.72 -1.26 -4.23 117.46 115.33 3hpa n PHE 235 Ca 0.03 -0.44 0.05 0.00 -0.05 0.00 0.00 57.45 57.04 3hpa n PHE 235 Cb 0.24 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.74 3hpa n PHE 235 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 3hpa n SER 236 N 1.36 0.79 -4.16 4.37 3.41 -1.01 -5.01 113.62 113.37 3hpa n SER 236 Ca 0.20 -0.90 -0.14 0.00 -0.26 0.00 0.00 58.87 57.77 3hpa n SER 236 Cb 0.57 0.78 -0.10 0.00 -0.26 0.00 0.00 64.21 65.20 3hpa n SER 236 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3hpa s VAL 237 N -1.73 0.18 0.76 -3.33 -7.23 -1.24 -1.00 120.40 106.81 3hpa s VAL 237 Ca 0.06 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.12 3hpa s VAL 237 Cb 0.08 -2.54 0.05 0.00 0.56 0.00 0.00 36.38 34.53 3hpa s VAL 237 CO 0.35 0.00 1.08 -0.94 -0.31 0.00 0.00 175.10 175.29 3hpa s SER 238 N -3.24 4.83 0.38 4.85 1.04 -1.26 -4.91 113.70 115.39 3hpa s SER 238 Ca 0.38 1.40 0.28 0.00 0.48 0.00 0.00 55.95 58.49 3hpa s SER 238 Cb 0.07 -2.19 1.01 0.00 0.10 0.00 0.00 66.02 65.01 3hpa s SER 238 CO 0.14 -1.77 1.81 0.08 0.98 0.00 0.00 173.24 174.48 3hpa h ARG 239 N -0.95 0.00 -0.15 4.02 0.11 -1.99 -2.25 114.38 113.17 3hpa h ARG 239 Ca -0.46 0.00 -0.07 0.00 0.10 0.00 0.00 59.98 59.55 3hpa h ARG 239 Cb 1.25 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.33 3hpa h ARG 239 CO 0.59 0.00 -0.20 -0.44 0.10 0.00 0.00 179.97 180.02 3hpa h ASP 240 N 0.00 0.44 -0.53 0.08 3.45 -1.99 -1.42 116.42 116.45 3hpa h ASP 240 Ca 0.00 -0.51 -0.04 0.00 0.43 0.00 0.00 57.03 56.92 3hpa h ASP 240 Cb 0.56 -0.12 -0.02 0.00 -0.56 0.00 0.00 39.33 39.19 3hpa h ASP 240 CO 0.00 0.86 0.19 0.25 -1.57 0.00 0.00 179.24 178.97 3hpa h LEU 241 N 0.03 0.74 -0.55 1.55 7.12 -1.86 0.01 115.31 122.37 3hpa h LEU 241 Ca 0.02 -0.19 0.08 0.00 0.13 0.00 0.00 57.88 57.92 3hpa h LEU 241 Cb 0.75 -0.19 -0.07 0.00 -0.53 0.00 0.00 40.66 40.62 3hpa h LEU 241 CO 0.05 0.73 0.19 0.24 -0.13 0.00 0.00 178.44 179.51 3hpa h MET 242 N 0.72 0.35 -0.30 1.25 2.86 -1.32 0.51 114.93 119.00 3hpa h MET 242 Ca 0.17 -0.02 -0.05 0.00 -2.06 0.00 0.00 59.70 57.74 3hpa h MET 242 Cb 0.24 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.81 3hpa h MET 242 CO -0.01 0.23 0.00 0.00 1.06 0.00 0.00 176.91 178.19 3hpa h ARG 243 N 0.36 0.53 -0.52 1.72 3.08 -0.85 -2.36 114.38 116.35 3hpa h ARG 243 Ca 0.27 -0.17 0.01 0.00 0.07 0.00 0.00 59.98 60.16 3hpa h ARG 243 Cb 0.32 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 3hpa h ARG 243 CO -0.28 0.67 0.34 -0.44 -1.07 0.00 0.00 179.97 179.18 3hpa h ASP 244 N 0.32 0.58 -0.10 7.04 5.19 -0.31 -1.92 116.42 127.22 3hpa h ASP 244 Ca 0.09 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.52 3hpa h ASP 244 Cb 0.43 -0.14 -0.03 0.00 0.18 0.00 0.00 39.33 39.77 3hpa h ASP 244 CO 0.02 0.42 -0.10 0.00 -3.12 0.00 0.00 179.24 176.45 3hpa h ALA 245 N 1.20 -0.03 -0.25 3.45 0.00 0.10 0.34 119.26 124.07 3hpa h ALA 245 Ca 0.19 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.19 3hpa h ALA 245 Cb -0.06 0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.90 3hpa h ALA 245 CO -0.05 -0.56 -0.02 0.00 0.00 0.00 0.00 179.25 178.62 3hpa h ALA 246 N 0.94 0.20 -0.48 0.00 0.00 -1.17 0.30 119.26 119.05 3hpa h ALA 246 Ca 0.07 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hpa h ALA 246 Cb 0.23 0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3hpa h ALA 246 CO -0.18 -0.44 0.10 -0.24 0.00 0.00 0.00 179.25 178.50 3hpa h VAL 247 N 0.05 1.24 -0.15 0.00 3.04 -1.03 0.07 116.25 119.48 3hpa h VAL 247 Ca 0.12 -0.87 0.04 0.00 -1.01 0.00 0.00 66.70 64.98 3hpa h VAL 247 Cb 0.16 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 30.29 3hpa h VAL 247 CO -0.22 0.31 -0.08 0.25 -1.01 0.00 0.00 177.57 176.82 3hpa h LEU 248 N 0.66 -0.27 -0.11 3.16 5.85 0.29 0.13 115.31 125.02 3hpa h LEU 248 Ca 0.15 0.06 0.01 0.00 0.84 0.00 0.00 57.88 58.95 3hpa h LEU 248 Cb 0.35 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3hpa h LEU 248 CO 0.00 -0.11 0.02 0.00 -0.34 0.00 0.00 178.44 178.02 3hpa h ALA 249 N 1.07 0.11 0.00 1.25 0.00 -0.18 -1.89 119.26 119.62 3hpa h ALA 249 Ca 0.09 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3hpa h ALA 249 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 3hpa h ALA 249 CO -0.20 -0.43 -0.09 0.00 0.00 0.00 0.00 179.25 178.53 3hpa h ARG 250 N 0.07 0.00 -0.29 0.00 -0.00 -0.70 0.01 114.38 113.47 3hpa h ARG 250 Ca 0.05 0.00 -0.16 0.00 -0.50 0.00 0.00 59.98 59.37 3hpa h ARG 250 Cb 0.04 0.00 -0.00 0.00 0.00 0.00 0.00 29.97 30.01 3hpa h ARG 250 CO -0.06 0.09 -0.44 1.49 0.00 0.00 0.00 179.97 181.05 3hpa h GLU 251 N 0.00 0.80 -0.14 0.04 4.81 -0.17 -3.14 114.58 116.79 3hpa h GLU 251 Ca -0.00 -0.48 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 3hpa h GLU 251 Cb 0.30 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hpa h GLU 251 CO 0.01 1.11 0.00 0.66 -0.73 0.00 0.00 179.01 180.07 3hpa n TYR 252 N -4.12 0.16 -2.78 0.92 4.02 -0.90 -4.96 117.16 109.51 3hpa n TYR 252 Ca -0.04 -0.08 -0.14 0.00 -0.01 0.00 0.00 57.90 57.63 3hpa n TYR 252 Cb 0.57 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.91 3hpa n TYR 252 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hpa n GLY 253 N 1.27 -0.03 3.83 2.72 0.00 -0.13 -5.04 105.19 107.81 3hpa n GLY 253 Ca 0.17 -0.22 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 3hpa n GLY 253 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hpa s VAL 254 N -2.96 2.24 0.58 1.61 -7.23 -0.52 -5.02 120.40 109.11 3hpa s VAL 254 Ca 0.21 -1.53 -0.02 0.00 -1.81 0.00 0.00 61.98 58.82 3hpa s VAL 254 Cb -0.09 -2.78 0.03 0.00 0.56 0.00 0.00 36.38 34.10 3hpa s VAL 254 CO 0.26 0.00 0.85 -0.44 -0.31 0.00 0.00 175.10 175.46 3hpa s SER 255 N -4.07 5.30 0.02 4.85 0.01 -1.26 -4.47 113.70 114.08 3hpa s SER 255 Ca 0.41 0.31 0.08 0.00 1.31 0.00 0.00 55.95 58.05 3hpa s SER 255 Cb -0.00 -1.21 -0.02 0.00 0.21 0.00 0.00 66.02 65.00 3hpa s SER 255 CO 0.24 -1.18 -0.23 -0.76 0.41 0.00 0.00 173.24 171.72 3hpa s LEU 256 N -4.91 2.12 -0.08 2.44 1.43 0.62 -2.10 118.68 118.21 3hpa s LEU 256 Ca 0.56 -0.50 -0.15 0.00 -1.03 0.00 0.00 54.13 53.01 3hpa s LEU 256 Cb -0.10 -1.11 0.03 0.00 0.03 0.00 0.00 46.19 45.04 3hpa s LEU 256 CO 0.41 0.22 0.37 -2.28 0.23 0.00 0.00 176.35 175.31 3hpa s HIS 257 N -0.70 -0.33 0.15 0.29 2.46 -0.76 -2.37 115.29 114.03 3hpa s HIS 257 Ca 0.09 0.68 -0.24 0.00 0.47 0.00 0.00 55.06 56.06 3hpa s HIS 257 Cb -0.09 0.14 0.07 0.00 -0.13 0.00 0.00 32.58 32.57 3hpa s HIS 257 CO 0.01 -0.32 1.03 -0.08 -2.47 0.00 0.00 174.74 172.91 3hpa s THR 258 N -0.60 0.00 0.20 0.89 -1.32 -1.23 -3.81 115.64 109.77 3hpa s THR 258 Ca -0.07 -0.58 -0.21 0.00 -1.21 0.00 0.00 61.69 59.62 3hpa s THR 258 Cb -0.04 -2.36 -0.08 0.00 -1.51 0.00 0.00 72.50 68.52 3hpa s THR 258 CO 0.03 0.00 0.72 -1.00 -2.21 0.00 0.00 174.62 172.16 3hpa s HIS 259 N -2.74 3.71 -0.18 9.09 3.76 -0.76 -1.58 115.29 126.59 3hpa s HIS 259 Ca 0.16 1.43 -0.11 0.00 -0.15 0.00 0.00 55.06 56.40 3hpa s HIS 259 Cb -0.01 -2.64 0.06 0.00 1.11 0.00 0.00 32.58 31.10 3hpa s HIS 259 CO 0.03 0.39 0.45 -1.17 -0.85 0.00 0.00 174.74 173.59 3hpa s LEU 260 N -1.74 -0.18 -1.52 0.89 2.96 -1.09 -4.39 118.68 113.62 3hpa s LEU 260 Ca 0.40 0.98 -0.06 0.00 -0.22 0.00 0.00 54.13 55.23 3hpa s LEU 260 Cb -0.18 1.50 0.05 0.00 0.50 0.00 0.00 46.19 48.06 3hpa s LEU 260 CO 0.22 -0.20 0.50 0.00 -1.32 0.00 0.00 176.35 175.55 3hpa n ALA 261 N 4.17 -1.76 0.18 5.97 0.00 -1.26 -1.21 120.51 126.61 3hpa n ALA 261 Ca -0.22 -0.20 0.08 0.00 0.00 0.00 0.00 53.44 53.10 3hpa n ALA 261 Cb 0.56 -2.09 0.10 0.00 0.00 0.00 0.00 19.45 18.03 3hpa n ALA 261 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 3hpa h GLU 262 N -1.73 0.00 0.00 0.00 4.11 -1.92 0.19 114.58 115.24 3hpa h GLU 262 Ca -0.62 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 58.54 3hpa h GLU 262 Cb 1.38 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 30.57 3hpa h GLU 262 CO 0.68 0.23 -0.14 0.27 0.07 0.00 0.00 179.01 180.12 3hpa n ASN 263 N -3.16 -1.27 -0.09 3.06 6.94 -1.26 -4.62 115.26 114.86 3hpa n ASN 263 Ca 0.03 -2.79 -0.03 0.00 -0.02 0.00 0.00 54.58 51.78 3hpa n ASN 263 Cb 0.62 2.38 0.21 0.00 -2.36 0.00 0.00 39.78 40.63 3hpa n ASN 263 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 3hpa h VAL 264 N 1.96 1.22 -0.21 3.53 -1.51 -1.93 -2.82 116.25 116.50 3hpa h VAL 264 Ca -0.26 -0.86 -0.06 0.00 -1.23 0.00 0.00 66.70 64.30 3hpa h VAL 264 Cb 1.12 0.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 3hpa h VAL 264 CO 0.35 0.31 -0.12 0.78 -1.23 0.00 0.00 177.57 177.66 3hpa h ASN 265 N 0.71 0.32 -0.32 4.19 2.35 -1.99 -2.93 115.58 117.91 3hpa h ASN 265 Ca 0.15 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3hpa h ASN 265 Cb 0.34 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3hpa h ASN 265 CO 0.01 0.47 0.16 0.44 -1.65 0.00 0.00 177.43 176.86 3hpa h ASP 266 N 0.31 0.24 -0.06 5.81 5.19 -1.90 -1.27 116.42 124.74 3hpa h ASP 266 Ca 0.06 0.01 -0.00 0.00 -0.62 0.00 0.00 57.03 56.48 3hpa h ASP 266 Cb 0.41 -0.03 -0.00 0.00 0.18 0.00 0.00 39.33 39.88 3hpa h ASP 266 CO 0.02 0.18 0.02 -0.29 -3.12 0.00 0.00 179.24 176.05 3hpa h ILE 267 N 0.34 1.15 0.00 0.35 6.09 -1.59 -1.35 117.51 122.49 3hpa h ILE 267 Ca 0.13 -0.45 0.00 0.00 -1.37 0.00 0.00 64.86 63.18 3hpa h ILE 267 Cb 0.04 1.34 0.00 0.00 0.47 0.00 0.00 36.82 38.68 3hpa h ILE 267 CO -0.09 0.13 0.21 0.00 -3.07 0.00 0.00 178.15 175.33 3hpa h ALA 268 N 0.85 1.21 -0.47 0.18 0.00 -1.33 -3.47 119.26 116.24 3hpa h ALA 268 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.74 3hpa h ALA 268 Cb 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 17.86 3hpa h ALA 268 CO -0.00 -0.21 0.09 0.98 0.00 0.00 0.00 179.25 180.11 3hpa n TYR 269 N -2.88 1.50 -2.02 0.00 4.19 -0.50 -5.10 117.16 112.34 3hpa n TYR 269 Ca -0.02 -1.43 -0.28 0.00 3.31 0.00 0.00 57.90 59.48 3hpa n TYR 269 Cb 0.27 -0.54 0.11 0.00 0.49 0.00 0.00 39.34 39.67 3hpa n TYR 269 CO 0.00 0.00 0.00 0.95 0.91 0.00 0.00 176.86 178.72 3hpa s THR 277 N -3.13 2.07 0.24 2.97 -4.23 -1.26 -5.04 115.64 107.26 3hpa s THR 277 Ca 0.47 -0.10 -0.07 0.00 -1.18 0.00 0.00 61.69 60.81 3hpa s THR 277 Cb 0.41 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 71.50 3hpa s THR 277 CO 0.05 0.00 1.91 -0.65 -0.54 0.00 0.00 174.62 175.39 3hpa h PRO 278 N -1.09 1.20 -0.21 3.99 0.11 -1.89 0.55 132.00 134.65 3hpa h PRO 278 Ca -0.45 -0.07 -0.12 0.00 0.11 0.00 0.00 66.00 65.47 3hpa h PRO 278 Cb 1.29 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 3hpa h PRO 278 CO 0.55 0.79 -0.33 0.00 -0.21 0.00 0.00 178.00 178.81 3hpa h ALA 279 N 1.35 0.33 -0.45 -0.75 0.00 -1.98 -0.50 119.26 117.26 3hpa h ALA 279 Ca 0.35 -0.42 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3hpa h ALA 279 Cb -0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 3hpa h ALA 279 CO -0.09 0.37 0.29 0.93 0.00 0.00 0.00 179.25 180.76 3hpa h GLU 280 N 0.28 0.59 -0.82 0.00 5.08 -1.95 0.39 114.58 118.15 3hpa h GLU 280 Ca 0.02 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.39 3hpa h GLU 280 Cb 0.91 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.98 3hpa h GLU 280 CO 0.08 0.40 0.54 -0.92 -1.00 0.00 0.00 179.01 178.10 3hpa h TYR 281 N 0.60 0.95 -0.09 4.33 3.20 -0.78 0.80 116.97 125.98 3hpa h TYR 281 Ca 0.16 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 3hpa h TYR 281 Cb -0.06 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 37.89 3hpa h TYR 281 CO -0.04 0.53 -0.13 0.00 -1.64 0.00 0.00 178.16 176.87 3hpa h ALA 282 N 1.54 0.14 -0.67 1.82 0.00 0.31 -2.37 119.26 120.03 3hpa h ALA 282 Ca 0.34 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3hpa h ALA 282 Cb 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 3hpa h ALA 282 CO -0.11 0.02 0.42 1.49 0.00 0.00 0.00 179.25 181.07 3hpa h GLU 283 N -0.18 0.90 -0.80 0.00 4.81 0.12 0.69 114.58 120.12 3hpa h GLU 283 Ca 0.01 -0.07 0.04 0.00 -0.13 0.00 0.00 59.36 59.21 3hpa h GLU 283 Cb 0.68 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.82 3hpa h GLU 283 CO 0.03 0.62 0.53 0.22 -0.73 0.00 0.00 179.01 179.67 3hpa h ASP 284 N 0.91 0.83 0.15 1.04 1.82 -0.83 -0.08 116.42 120.26 3hpa h ASP 284 Ca 0.24 -0.01 0.00 0.00 -0.39 0.00 0.00 57.03 56.88 3hpa h ASP 284 Cb -0.07 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.75 3hpa h ASP 284 CO -0.05 0.57 -0.05 0.18 -1.61 0.00 0.00 179.24 178.28 3hpa n LEU 285 N -4.46 0.59 0.00 2.28 7.99 -0.90 -4.90 117.00 117.61 3hpa n LEU 285 Ca 0.11 -0.13 0.00 0.00 -0.01 0.00 0.00 56.01 55.98 3hpa n LEU 285 Cb 0.13 -0.08 0.00 0.00 -0.11 0.00 0.00 43.42 43.37 3hpa n LEU 285 CO 0.35 0.10 0.00 0.61 -1.51 0.00 0.00 177.39 176.94 3hpa n GLY 286 N 1.16 0.67 2.39 -0.72 0.00 -0.04 -4.60 105.19 104.05 3hpa n GLY 286 Ca 0.19 -0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 3hpa n GLY 286 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3hpa n TRP 287 N -2.65 2.10 -3.94 1.61 7.02 0.23 -4.82 117.44 116.99 3hpa n TRP 287 Ca 0.00 -2.59 -0.09 0.00 -1.02 0.00 0.00 57.50 53.80 3hpa n TRP 287 Cb 0.00 -1.90 -0.09 0.00 -2.42 0.00 0.00 31.31 26.90 3hpa n TRP 287 CO 0.00 0.00 0.00 0.14 -2.02 0.00 0.00 177.69 175.81 3hpa s VAL 288 N -0.29 0.14 0.00 -0.99 -7.23 -1.26 -4.53 120.40 106.24 3hpa s VAL 288 Ca 0.60 -1.17 0.00 0.00 -1.81 0.00 0.00 61.98 59.60 3hpa s VAL 288 Cb 0.23 -0.97 0.00 0.00 0.56 0.00 0.00 36.38 36.20 3hpa s VAL 288 CO -0.10 -0.65 0.00 0.61 -0.31 0.00 0.00 175.10 174.65 3hpa n GLY 289 N 0.67 3.36 0.30 2.32 0.00 -1.25 -4.83 105.19 105.75 3hpa n GLY 289 Ca -0.18 -1.79 0.18 0.00 0.00 0.00 0.00 46.02 44.22 3hpa n GLY 289 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3hpa h HIS 290 N 0.00 0.00 -0.55 1.61 2.07 -1.67 -2.04 115.15 114.57 3hpa h HIS 290 Ca 0.00 0.00 -0.15 0.00 -2.85 0.00 0.00 60.37 57.37 3hpa h HIS 290 Cb 0.00 0.00 -0.09 0.00 2.57 0.00 0.00 27.41 29.89 3hpa h HIS 290 CO 0.00 0.04 0.19 -0.40 -3.07 0.00 0.00 177.93 174.69 3hpa n ASP 291 N -3.30 4.17 -4.05 3.10 3.85 -1.26 -4.52 116.55 114.53 3hpa n ASP 291 Ca -0.02 -2.89 -0.13 0.00 -0.71 0.00 0.00 54.79 51.05 3hpa n ASP 291 Cb 0.19 -0.68 -0.12 0.00 -1.35 0.00 0.00 41.12 39.16 3hpa n ASP 291 CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3hpa s VAL 292 N -2.37 0.50 -0.26 2.12 1.01 -0.77 -0.27 120.40 120.35 3hpa s VAL 292 Ca 0.41 -1.02 -0.19 0.00 0.00 0.00 0.00 61.98 61.18 3hpa s VAL 292 Cb 0.33 -0.56 0.07 0.00 0.00 0.00 0.00 36.38 36.22 3hpa s VAL 292 CO 0.10 -0.37 0.67 -1.66 0.00 0.00 0.00 175.10 173.85 3hpa s TRP 293 N -1.32 -0.89 -0.07 5.22 -2.14 -1.00 -1.45 118.94 117.29 3hpa s TRP 293 Ca -0.10 1.94 0.02 0.00 2.66 0.00 0.00 56.10 60.62 3hpa s TRP 293 Cb -0.10 0.43 -0.03 0.00 -3.10 0.00 0.00 33.47 30.68 3hpa s TRP 293 CO 0.00 -0.44 -0.11 -1.01 -2.66 0.00 0.00 176.95 172.74 3hpa s HIS 294 N 1.00 2.83 0.26 1.66 3.76 0.11 -3.51 115.29 121.39 3hpa s HIS 294 Ca -0.05 -0.15 -0.22 0.00 -0.15 0.00 0.00 55.06 54.49 3hpa s HIS 294 Cb -0.05 -1.70 -0.09 0.00 1.11 0.00 0.00 32.58 31.85 3hpa s HIS 294 CO -0.09 0.19 0.81 0.00 -0.85 0.00 0.00 174.74 174.80 3hpa s ALA 295 N -0.58 3.34 0.00 -1.40 0.00 -0.61 -0.68 121.76 121.82 3hpa s ALA 295 Ca 0.08 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3hpa s ALA 295 Cb -0.12 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.04 3hpa s ALA 295 CO 0.02 0.27 0.00 0.72 0.00 0.00 0.00 175.76 176.76 3hpa n HIS 296 N 0.70 0.00 -2.46 0.00 8.25 -0.08 -2.66 115.22 118.97 3hpa n HIS 296 Ca -0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.33 3hpa n HIS 296 Cb 0.51 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.61 3hpa n HIS 296 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hpa h VAL 298 N -0.02 1.12 -0.63 0.00 3.04 -1.71 -2.58 116.25 115.48 3hpa h VAL 298 Ca -0.28 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.85 3hpa h VAL 298 Cb 1.21 1.27 0.00 0.00 -2.01 0.00 0.00 31.29 31.75 3hpa h VAL 298 CO 0.33 0.16 0.00 1.67 -1.01 0.00 0.00 177.57 178.73 3hpa n GLN 299 N -4.35 4.26 -2.10 4.17 -0.06 0.66 -4.52 117.38 115.45 3hpa n GLN 299 Ca -0.02 -3.01 -0.42 0.00 -2.00 0.00 0.00 57.00 51.54 3hpa n GLN 299 Cb 0.23 -2.06 -0.03 0.00 -4.06 0.00 0.00 30.24 24.31 3hpa n GLN 299 CO 0.00 0.00 0.00 -1.17 -0.20 0.00 0.00 177.06 175.69 3hpa s LEU 300 N -2.23 4.34 0.82 1.69 2.96 -0.97 -4.99 118.68 120.30 3hpa s LEU 300 Ca 0.53 2.29 -0.12 0.00 -0.22 0.00 0.00 54.13 56.61 3hpa s LEU 300 Cb 0.37 -3.56 0.09 0.00 0.50 0.00 0.00 46.19 43.58 3hpa s LEU 300 CO 0.21 -0.78 1.17 1.51 -1.32 0.00 0.00 176.35 177.14 3hpa s ASP 301 N 2.00 4.38 0.39 3.68 -4.77 -1.26 -4.81 116.67 116.28 3hpa s ASP 301 Ca 0.68 0.84 0.12 0.00 -3.30 0.00 0.00 52.55 50.89 3hpa s ASP 301 Cb -0.35 -1.37 0.93 0.00 -1.09 0.00 0.00 42.92 41.04 3hpa s ASP 301 CO 0.29 -1.99 1.91 0.44 0.70 0.00 0.00 175.17 176.52 3hpa h ASP 302 N -1.11 0.52 -0.28 2.11 5.19 -1.99 -1.08 116.42 119.78 3hpa h ASP 302 Ca -0.47 0.03 -0.09 0.00 -0.62 0.00 0.00 57.03 55.88 3hpa h ASP 302 Cb 1.33 -0.08 -0.01 0.00 0.18 0.00 0.00 39.33 40.75 3hpa h ASP 302 CO 0.65 0.28 -0.17 0.00 -3.12 0.00 0.00 179.24 176.88 3hpa h ALA 303 N 1.62 0.39 -0.61 3.45 0.00 -1.99 -1.62 119.26 120.50 3hpa h ALA 303 Ca 0.39 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3hpa h ALA 303 Cb 0.73 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 3hpa h ALA 303 CO -0.15 0.31 0.35 0.78 0.00 0.00 0.00 179.25 180.53 3hpa h GLY 304 N 0.34 0.88 0.92 0.00 0.00 -1.66 -0.48 103.07 103.07 3hpa h GLY 304 Ca 0.06 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.14 3hpa h GLY 304 CO 0.05 0.17 -0.08 -2.22 0.00 0.00 0.00 176.54 174.45 3hpa h ILE 305 N 0.66 0.81 -0.68 2.60 2.04 -1.10 0.12 117.51 121.95 3hpa h ILE 305 Ca 0.27 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.19 3hpa h ILE 305 Cb 0.12 0.81 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 3hpa h ILE 305 CO -0.15 0.00 0.37 1.23 0.00 0.00 0.00 178.15 179.60 3hpa h GLY 306 N -0.20 1.00 0.81 5.37 0.00 -0.90 -0.91 103.07 108.23 3hpa h GLY 306 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3hpa h GLY 306 CO -0.01 0.13 -0.34 -2.00 0.00 0.00 0.00 176.54 174.33 3hpa h LEU 307 N 0.67 -0.86 -0.62 3.11 5.85 -0.65 -1.91 115.31 120.90 3hpa h LEU 307 Ca 0.31 0.06 0.09 0.00 0.84 0.00 0.00 57.88 59.18 3hpa h LEU 307 Cb 0.23 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.45 3hpa h LEU 307 CO -0.20 -0.51 0.26 -0.26 -0.34 0.00 0.00 178.44 177.38 3hpa h PHE 308 N -0.80 0.45 -0.06 1.25 0.05 -0.45 -2.07 116.94 115.30 3hpa h PHE 308 Ca -0.05 0.03 0.03 0.00 3.82 0.00 0.00 57.97 61.80 3hpa h PHE 308 Cb 0.67 -0.11 -0.04 0.00 2.00 0.00 0.00 35.95 38.47 3hpa h PHE 308 CO -0.12 0.14 -0.17 0.00 -0.18 0.00 0.00 178.31 177.97 3hpa h ALA 309 N 1.41 -0.16 0.00 2.45 0.00 -0.95 0.26 119.26 122.26 3hpa h ALA 309 Ca 0.31 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.19 3hpa h ALA 309 Cb 0.36 0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3hpa h ALA 309 CO -0.29 -0.65 -0.27 0.07 0.00 0.00 0.00 179.25 178.12 3hpa h ARG 310 N -0.25 0.00 -0.01 0.00 0.11 -1.04 -2.96 114.38 110.23 3hpa h ARG 310 Ca 0.07 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.15 3hpa h ARG 310 Cb 0.35 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.43 3hpa h ARG 310 CO -0.21 0.27 -0.59 0.25 0.10 0.00 0.00 179.97 179.80 3hpa n THR 311 N -3.65 0.00 -1.10 0.08 -2.24 -0.81 -4.95 114.28 101.61 3hpa n THR 311 Ca -0.01 -0.12 -0.03 0.00 -2.27 0.00 0.00 64.05 61.62 3hpa n THR 311 Cb 0.39 0.85 -0.01 0.00 -2.10 0.00 0.00 70.33 69.45 3hpa n THR 311 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hpa n GLY 312 N 1.44 0.65 3.72 3.38 0.00 0.72 -3.01 105.19 112.08 3hpa n GLY 312 Ca 0.08 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 3hpa n GLY 312 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hpa s THR 313 N -2.11 3.44 0.43 2.61 2.01 -0.08 -4.03 115.64 117.92 3hpa s THR 313 Ca 0.00 1.09 0.00 0.00 0.31 0.00 0.00 61.69 63.09 3hpa s THR 313 Cb 0.00 -3.70 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 3hpa s THR 313 CO 0.00 0.11 0.64 -0.83 -0.69 0.00 0.00 174.62 173.86 3hpa s GLY 314 N 0.80 1.51 -0.03 4.40 0.00 -0.53 -4.26 107.32 109.22 3hpa s GLY 314 Ca 0.60 -1.01 0.01 0.00 0.00 0.00 0.00 44.72 44.33 3hpa s GLY 314 CO 0.33 -0.86 -0.05 -1.34 0.00 0.00 0.00 173.10 171.17 3hpa s VAL 315 N -2.50 0.48 -0.47 1.40 -7.23 -0.90 0.07 120.40 111.25 3hpa s VAL 315 Ca 0.46 -0.16 -0.15 0.00 -1.81 0.00 0.00 61.98 60.32 3hpa s VAL 315 Cb -0.10 -0.47 0.07 0.00 0.56 0.00 0.00 36.38 36.44 3hpa s VAL 315 CO 0.38 0.18 0.39 0.00 -0.31 0.00 0.00 175.10 175.74 3hpa s ALA 316 N 0.49 3.56 -0.06 1.32 0.00 0.15 -1.01 121.76 126.21 3hpa s ALA 316 Ca -0.06 -2.09 -0.27 0.00 0.00 0.00 0.00 51.96 49.54 3hpa s ALA 316 Cb -0.10 -3.06 -0.03 0.00 0.00 0.00 0.00 23.12 19.93 3hpa s ALA 316 CO -0.00 -1.72 0.85 -1.58 0.00 0.00 0.00 175.76 173.31 3hpa s HIS 317 N 1.65 3.59 -0.59 0.00 2.46 0.26 -0.90 115.29 121.75 3hpa s HIS 317 Ca 0.04 1.45 0.04 0.00 0.47 0.00 0.00 55.06 57.07 3hpa s HIS 317 Cb -0.24 -2.98 0.16 0.00 -0.13 0.00 0.00 32.58 29.39 3hpa s HIS 317 CO 0.07 -0.01 0.42 0.00 -2.47 0.00 0.00 174.74 172.74 3hpa h PRO 319 N 5.66 -0.70 -0.28 0.00 0.13 -1.90 -1.30 132.00 133.61 3hpa h PRO 319 Ca 0.15 0.05 0.07 0.00 -0.87 0.00 0.00 66.00 65.39 3hpa h PRO 319 Cb 0.82 0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.04 3hpa h PRO 319 CO 0.60 -0.47 -0.21 0.00 -0.23 0.00 0.00 178.00 177.70 3hpa h SER 321 N -0.19 0.22 -0.19 0.00 0.87 -1.68 0.12 113.55 112.70 3hpa h SER 321 Ca 0.15 0.03 0.06 0.00 -1.23 0.00 0.00 61.79 60.79 3hpa h SER 321 Cb 0.42 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.36 3hpa h SER 321 CO -0.39 0.16 0.21 0.78 -0.53 0.00 0.00 176.83 177.06 3hpa h ASN 322 N 0.33 0.00 0.00 6.23 2.35 -0.21 -1.08 115.58 123.20 3hpa h ASN 322 Ca 0.16 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.73 3hpa h ASN 322 Cb 0.09 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.43 3hpa h ASN 322 CO -0.13 0.00 -1.06 0.24 -1.65 0.00 0.00 177.43 174.84 3hpa h MET 323 N 0.00 0.00 -0.07 0.81 2.86 0.27 0.36 114.93 119.16 3hpa h MET 323 Ca 0.09 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3hpa h MET 323 Cb 0.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3hpa h MET 323 CO -0.00 0.82 0.02 -0.09 1.06 0.00 0.00 176.91 178.72 3hpa h ARG 324 N -1.00 0.09 -0.04 1.72 2.43 -0.62 0.65 114.38 117.61 3hpa h ARG 324 Ca -0.27 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.89 3hpa h ARG 324 Cb 1.14 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.67 3hpa h ARG 324 CO -0.16 0.09 0.00 -0.11 -1.51 0.00 0.00 179.97 178.27 3hpa n LEU 325 N -4.50 2.88 -2.56 3.80 7.94 -0.43 -4.98 117.00 119.15 3hpa n LEU 325 Ca -0.02 -1.01 -0.19 0.00 -1.11 0.00 0.00 56.01 53.68 3hpa n LEU 325 Cb 0.11 -0.01 -0.00 0.00 0.53 0.00 0.00 43.42 44.05 3hpa n LEU 325 CO 0.35 0.49 -0.19 0.00 -1.11 0.00 0.00 177.39 176.93 3hpa n ALA 326 N 1.26 -0.74 0.17 1.96 0.00 0.22 -4.81 120.51 118.58 3hpa n ALA 326 Ca 0.13 0.17 0.04 0.00 0.00 0.00 0.00 53.44 53.78 3hpa n ALA 326 Cb 0.56 -2.35 0.45 0.00 0.00 0.00 0.00 19.45 18.11 3hpa n ALA 326 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 3hpa h SER 327 N -0.28 0.10 -4.92 0.00 0.02 -0.55 -3.48 113.55 104.43 3hpa h SER 327 Ca -0.45 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.48 3hpa h SER 327 Cb 1.33 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.84 3hpa h SER 327 CO 0.52 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 177.10 3hpa n GLY 328 N -0.95 0.62 3.54 -3.77 0.00 -0.94 -4.84 105.19 98.84 3hpa n GLY 328 Ca -0.02 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.30 3hpa n GLY 328 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3hpa s ILE 329 N -0.62 5.19 0.29 -0.61 1.01 -1.26 -4.66 121.20 120.54 3hpa s ILE 329 Ca 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 60.65 60.32 3hpa s ILE 329 Cb 0.00 -3.82 -0.10 0.00 0.01 0.00 0.00 42.46 38.55 3hpa s ILE 329 CO 0.00 -0.10 1.11 0.00 0.00 0.00 0.00 174.94 175.95 3hpa s ALA 330 N 1.96 3.39 -1.34 9.38 0.00 -1.26 -4.92 121.76 128.97 3hpa s ALA 330 Ca 0.11 0.91 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 3hpa s ALA 330 Cb -0.17 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.59 3hpa s ALA 330 CO 0.12 -0.21 2.32 -0.35 0.00 0.00 0.00 175.76 177.64 3hpa n PRO 331 N 1.06 2.74 0.02 0.00 -0.04 -1.26 -4.68 135.00 132.84 3hpa n PRO 331 Ca -0.01 -2.32 -0.06 0.00 -0.04 0.00 0.00 63.50 61.07 3hpa n PRO 331 Cb 0.45 -3.08 0.12 0.00 -0.04 0.00 0.00 33.50 30.95 3hpa n PRO 331 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3hpa h VAL 332 N 3.85 1.31 -0.56 0.52 2.07 -1.98 0.79 116.25 122.25 3hpa h VAL 332 Ca 0.60 -1.61 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3hpa h VAL 332 Cb 0.54 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.91 3hpa h VAL 332 CO 1.85 0.50 0.37 0.50 0.02 0.00 0.00 177.57 180.81 3hpa h LYS 333 N 0.40 0.74 -0.36 1.57 3.64 -1.83 -0.96 116.57 119.76 3hpa h LYS 333 Ca 0.03 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.28 3hpa h LYS 333 Cb 0.92 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.57 3hpa h LYS 333 CO 0.08 0.49 -0.11 -0.22 -2.27 0.00 0.00 179.45 177.42 3hpa h LYS 334 N 0.76 0.71 -0.33 1.90 3.64 -1.88 -2.32 116.57 119.04 3hpa h LYS 334 Ca 0.20 -0.28 0.03 0.00 -1.27 0.00 0.00 60.65 59.33 3hpa h LYS 334 Cb -0.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 3hpa h LYS 334 CO -0.04 0.88 0.13 0.52 -2.27 0.00 0.00 179.45 178.67 3hpa h MET 335 N 0.50 0.28 -0.54 1.90 2.86 -0.45 -0.17 114.93 119.32 3hpa h MET 335 Ca 0.09 -0.02 -0.08 0.00 -2.06 0.00 0.00 59.70 57.63 3hpa h MET 335 Cb 0.63 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 32.21 3hpa h MET 335 CO 0.04 0.18 0.02 0.00 1.06 0.00 0.00 176.91 178.22 3hpa h ARG 336 N 0.29 0.93 -0.48 1.72 3.08 -1.18 -0.71 114.38 118.02 3hpa h ARG 336 Ca 0.15 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.92 3hpa h ARG 336 Cb 0.10 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.03 3hpa h ARG 336 CO -0.13 0.94 0.32 -0.07 -1.07 0.00 0.00 179.97 179.95 3hpa h LEU 337 N 0.81 0.56 -0.08 3.04 4.07 -1.06 0.16 115.31 122.80 3hpa h LEU 337 Ca 0.16 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 58.10 3hpa h LEU 337 Cb 0.50 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.10 3hpa h LEU 337 CO 0.02 0.40 0.00 0.00 -1.08 0.00 0.00 178.44 177.79 3hpa n ALA 338 N -2.46 2.18 -0.45 1.53 0.00 -0.11 -4.92 120.51 116.27 3hpa n ALA 338 Ca 0.04 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hpa n ALA 338 Cb 0.05 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.06 3hpa n ALA 338 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpa n GLY 339 N 1.12 0.74 3.73 0.00 0.00 0.55 -4.80 105.19 106.53 3hpa n GLY 339 Ca 0.06 -0.30 -0.41 0.00 0.00 0.00 0.00 46.02 45.37 3hpa n GLY 339 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3hpa s VAL 340 N -2.00 4.66 -0.06 1.61 -7.23 -0.45 -4.72 120.40 112.21 3hpa s VAL 340 Ca 0.00 1.87 -0.30 0.00 -1.81 0.00 0.00 61.98 61.74 3hpa s VAL 340 Cb 0.00 -4.23 -0.05 0.00 0.56 0.00 0.00 36.38 32.66 3hpa s VAL 340 CO 0.00 0.31 1.53 -2.16 -0.31 0.00 0.00 175.10 174.48 3hpa s PRO 341 N 0.13 4.21 -0.05 4.82 0.04 -1.26 -4.44 135.00 138.45 3hpa s PRO 341 Ca 0.44 2.06 0.05 0.00 0.04 0.00 0.00 61.00 63.59 3hpa s PRO 341 Cb -0.22 -3.84 -0.02 0.00 0.04 0.00 0.00 34.50 30.47 3hpa s PRO 341 CO 0.26 -0.76 -0.20 0.08 0.04 0.00 0.00 177.00 176.42 3hpa s VAL 342 N 3.52 2.56 0.40 -0.36 1.01 -1.26 -2.12 120.40 124.15 3hpa s VAL 342 Ca 0.68 -0.90 0.04 0.00 0.00 0.00 0.00 61.98 61.79 3hpa s VAL 342 Cb -0.31 -1.96 -0.04 0.00 0.00 0.00 0.00 36.38 34.06 3hpa s VAL 342 CO 0.26 0.58 0.06 -0.83 0.00 0.00 0.00 175.10 175.18 3hpa s GLY 343 N -0.50 2.51 0.06 4.51 0.00 -0.18 -4.19 107.32 109.53 3hpa s GLY 343 Ca 0.06 -1.47 0.04 0.00 0.00 0.00 0.00 44.72 43.35 3hpa s GLY 343 CO 0.01 -1.94 -0.01 1.08 0.00 0.00 0.00 173.10 172.24 3hpa s LEU 344 N -3.64 3.43 -0.04 0.66 1.43 -1.25 -0.57 118.68 118.71 3hpa s LEU 344 Ca 0.26 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.20 3hpa s LEU 344 Cb 0.05 -2.09 0.02 0.00 0.03 0.00 0.00 46.19 44.20 3hpa s LEU 344 CO 0.13 0.22 0.08 -0.83 0.23 0.00 0.00 176.35 176.18 3hpa s GLY 345 N -2.00 -0.02 0.21 -3.19 0.00 0.64 0.74 107.32 103.70 3hpa s GLY 345 Ca 0.23 0.34 0.14 0.00 0.00 0.00 0.00 44.72 45.43 3hpa s GLY 345 CO 0.15 0.48 1.31 -0.24 0.00 0.00 0.00 173.10 174.80 3hpa h VAL 346 N 5.53 0.96 -1.34 1.40 3.04 -1.81 -3.36 116.25 120.67 3hpa h VAL 346 Ca -0.33 -2.41 0.16 0.00 -1.01 0.00 0.00 66.70 63.11 3hpa h VAL 346 Cb 1.17 2.44 -0.04 0.00 -2.01 0.00 0.00 31.29 32.85 3hpa h VAL 346 CO 0.46 0.55 -0.23 -0.67 -1.01 0.00 0.00 177.57 176.66 3hpa n ASP 347 N -3.20 -3.56 -4.77 3.17 2.03 -0.06 -4.60 116.55 105.56 3hpa n ASP 347 Ca -0.00 0.26 -0.40 0.00 0.52 0.00 0.00 54.79 55.16 3hpa n ASP 347 Cb 0.79 -1.83 0.01 0.00 -0.72 0.00 0.00 41.12 39.37 3hpa n ASP 347 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3hpa s GLY 348 N -4.33 2.93 0.00 0.27 0.00 -1.26 -4.24 107.32 100.69 3hpa s GLY 348 Ca 0.00 1.53 0.12 0.00 0.00 0.00 0.00 44.72 46.37 3hpa s GLY 348 CO 0.00 2.19 1.26 1.44 0.00 0.00 0.00 173.10 177.99 3hpa n SER 349 N 0.13 0.00 0.02 1.64 7.64 -1.25 -1.01 113.62 120.79 3hpa n SER 349 Ca 0.03 0.07 0.12 0.00 1.01 0.00 0.00 58.87 60.10 3hpa n SER 349 Cb 0.40 -0.26 0.29 0.00 -1.01 0.00 0.00 64.21 63.64 3hpa n SER 349 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3hpa n ALA 350 N -1.26 3.15 -3.19 -0.43 0.00 -1.25 -4.26 120.51 113.27 3hpa n ALA 350 Ca 0.06 -0.27 -0.23 0.00 0.00 0.00 0.00 53.44 52.99 3hpa n ALA 350 Cb 0.09 -1.20 -0.05 0.00 0.00 0.00 0.00 19.45 18.28 3hpa n ALA 350 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3hpa n SER 351 N -1.69 1.79 0.21 0.00 3.41 -0.18 -4.82 113.62 112.34 3hpa n SER 351 Ca 0.05 -3.10 0.00 0.00 -0.26 0.00 0.00 58.87 55.56 3hpa n SER 351 Cb 0.37 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.69 3hpa n SER 351 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3hpa n ASN 352 N 0.66 -3.69 -1.04 4.04 4.05 -1.25 -3.99 115.26 114.04 3hpa n ASN 352 Ca 0.26 0.81 0.08 0.00 0.45 0.00 0.00 54.58 56.18 3hpa n ASN 352 Cb 0.53 3.48 0.26 0.00 1.23 0.00 0.00 39.78 45.27 3hpa n ASN 352 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 177.26 174.68 3hpa n ASP 353 N -3.37 3.85 -4.38 1.20 8.00 -1.26 -4.78 116.55 115.81 3hpa n ASP 353 Ca 0.00 -2.46 -0.26 0.00 0.71 0.00 0.00 54.79 52.78 3hpa n ASP 353 Cb 0.00 -0.45 0.15 0.00 -0.02 0.00 0.00 41.12 40.81 3hpa n ASP 353 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 3hpa s GLY 354 N -1.25 1.78 -0.33 0.44 0.00 -1.26 -4.68 107.32 102.01 3hpa s GLY 354 Ca 0.39 -1.63 0.17 0.00 0.00 0.00 0.00 44.72 43.64 3hpa s GLY 354 CO 0.17 -0.93 1.12 0.00 0.00 0.00 0.00 173.10 173.46 3hpa n ALA 355 N -3.27 2.73 -2.75 3.20 0.00 -1.26 -4.83 120.51 114.33 3hpa n ALA 355 Ca 0.17 -2.47 -0.44 0.00 0.00 0.00 0.00 53.44 50.70 3hpa n ALA 355 Cb 0.60 -0.93 -0.07 0.00 0.00 0.00 0.00 19.45 19.05 3hpa n ALA 355 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3hpa s GLN 356 N -2.24 3.11 0.31 0.00 -0.44 -1.26 -3.92 119.66 115.22 3hpa s GLN 356 Ca 0.24 -0.92 0.00 0.00 -2.50 0.00 0.00 55.36 52.19 3hpa s GLN 356 Cb 0.42 -4.09 0.51 0.00 -1.64 0.00 0.00 33.01 28.22 3hpa s GLN 356 CO -0.02 -1.16 1.93 1.98 0.50 0.00 0.00 175.29 178.52 3hpa h MET 357 N 8.94 0.86 -0.35 1.67 1.85 -1.86 -2.39 114.93 123.66 3hpa h MET 357 Ca -0.27 -0.10 -0.10 0.00 -0.61 0.00 0.00 59.70 58.62 3hpa h MET 357 Cb 1.10 -0.17 -0.02 0.00 0.43 0.00 0.00 31.60 32.94 3hpa h MET 357 CO 0.94 0.65 -0.18 -0.39 -0.40 0.00 0.00 176.91 177.53 3hpa h VAL 358 N 0.87 1.26 -0.37 -5.77 -1.51 -1.87 -2.19 116.25 106.67 3hpa h VAL 358 Ca 0.22 -1.22 -0.04 0.00 -1.23 0.00 0.00 66.70 64.43 3hpa h VAL 358 Cb 0.06 1.19 -0.02 0.00 -2.13 0.00 0.00 31.29 30.39 3hpa h VAL 358 CO -0.03 0.40 0.04 0.00 -1.23 0.00 0.00 177.57 176.75 3hpa h ALA 359 N 1.23 1.38 -0.33 5.19 0.00 -1.81 -0.18 119.26 124.73 3hpa h ALA 359 Ca 0.09 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hpa h ALA 359 Cb 0.63 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3hpa h ALA 359 CO 0.04 0.43 -0.04 0.93 0.00 0.00 0.00 179.25 180.62 3hpa h GLU 360 N 0.54 0.61 -0.85 0.00 4.39 -0.96 0.27 114.58 118.59 3hpa h GLU 360 Ca 0.12 -0.21 0.06 0.00 0.34 0.00 0.00 59.36 59.67 3hpa h GLU 360 Cb 0.29 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.83 3hpa h GLU 360 CO 0.01 0.76 0.52 0.28 -1.16 0.00 0.00 179.01 179.42 3hpa h VAL 361 N 0.41 1.03 -0.28 3.13 2.07 -0.87 0.93 116.25 122.67 3hpa h VAL 361 Ca 0.09 -0.33 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 3hpa h VAL 361 Cb 0.51 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 3hpa h VAL 361 CO 0.02 0.17 -0.03 -0.09 0.02 0.00 0.00 177.57 177.66 3hpa h ARG 362 N 0.95 0.52 -0.92 1.57 2.43 -0.74 -2.83 114.38 115.37 3hpa h ARG 362 Ca 0.37 -0.18 0.01 0.00 -0.81 0.00 0.00 59.98 59.37 3hpa h ARG 362 Cb 0.18 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3hpa h ARG 362 CO -0.18 0.70 0.61 0.37 -1.51 0.00 0.00 179.97 179.97 3hpa h GLN 363 N 0.30 1.21 -0.52 0.20 5.75 0.58 -0.52 115.11 122.11 3hpa h GLN 363 Ca 0.08 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3hpa h GLN 363 Cb 0.49 -0.27 -0.03 0.00 1.07 0.00 0.00 27.48 28.74 3hpa h GLN 363 CO 0.02 0.80 0.34 0.00 -2.65 0.00 0.00 178.83 177.34 3hpa h ALA 364 N 1.34 0.66 -0.37 3.38 0.00 -0.79 0.28 119.26 123.75 3hpa h ALA 364 Ca 0.34 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 55.18 3hpa h ALA 364 Cb -0.14 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 3hpa h ALA 364 CO -0.07 0.08 0.08 1.25 0.00 0.00 0.00 179.25 180.59 3hpa h LEU 365 N 0.68 0.57 -0.62 0.00 6.46 -1.15 -2.00 115.31 119.26 3hpa h LEU 365 Ca 0.20 -0.24 -0.07 0.00 -0.12 0.00 0.00 57.88 57.65 3hpa h LEU 365 Cb -0.05 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.70 3hpa h LEU 365 CO -0.06 0.66 0.12 -0.07 -0.62 0.00 0.00 178.44 178.48 3hpa h LEU 366 N 0.46 0.96 0.16 2.25 4.07 -0.82 -2.50 115.31 119.89 3hpa h LEU 366 Ca 0.12 -0.25 -0.01 0.00 0.08 0.00 0.00 57.88 57.82 3hpa h LEU 366 Cb 0.32 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.81 3hpa h LEU 366 CO 0.00 0.97 -0.08 0.25 -1.08 0.00 0.00 178.44 178.50 3hpa h LEU 367 N 0.92 -0.18 -1.12 1.67 6.46 -0.37 -2.01 115.31 120.67 3hpa h LEU 367 Ca 0.19 -0.18 0.08 0.00 -0.12 0.00 0.00 57.88 57.85 3hpa h LEU 367 Cb 0.40 0.05 -0.06 0.00 -0.73 0.00 0.00 40.66 40.31 3hpa h LEU 367 CO 0.01 0.08 0.60 1.56 -0.62 0.00 0.00 178.44 180.07 3hpa h GLN 368 N -0.45 0.98 -0.31 1.25 1.08 -1.38 -2.42 115.11 113.86 3hpa h GLN 368 Ca -0.02 -0.06 -0.13 0.00 -1.45 0.00 0.00 58.65 56.99 3hpa h GLN 368 Cb 0.35 -0.22 -0.01 0.00 -0.05 0.00 0.00 27.48 27.55 3hpa h GLN 368 CO 0.04 0.65 -0.32 0.00 -0.95 0.00 0.00 178.83 178.25 3hpa h ARG 369 N 1.01 0.68 0.00 1.46 3.08 -1.31 0.08 114.38 119.38 3hpa h ARG 369 Ca 0.41 -0.31 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3hpa h ARG 369 Cb 0.28 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 3hpa h ARG 369 CO -0.17 0.91 -0.44 -0.24 -1.07 0.00 0.00 179.97 178.96 3hpa h VAL 370 N 0.58 1.01 0.00 2.04 3.04 -0.90 0.27 116.25 122.29 3hpa h VAL 370 Ca 0.06 -1.68 0.00 0.00 -1.01 0.00 0.00 66.70 64.08 3hpa h VAL 370 Cb 0.83 1.99 0.00 0.00 -2.01 0.00 0.00 31.29 32.10 3hpa h VAL 370 CO 0.07 0.43 -1.05 0.61 -1.01 0.00 0.00 177.57 176.62 3hpa n GLY 371 N 0.26 -1.13 0.00 3.17 0.00 -0.98 -4.68 105.19 101.83 3hpa n GLY 371 Ca -0.00 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.55 3hpa n GLY 371 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3hpa n PHE 372 N -1.79 0.00 0.00 1.61 3.72 0.00 -5.09 117.46 115.91 3hpa n PHE 372 Ca 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.42 3hpa n PHE 372 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 3hpa n PHE 372 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3hpa n GLY 373 N 0.03 3.14 0.32 1.37 0.00 0.08 -4.72 105.19 105.41 3hpa n GLY 373 Ca 0.00 -1.95 0.19 0.00 0.00 0.00 0.00 46.02 44.26 3hpa n GLY 373 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3hpa h PRO 374 N 0.00 0.00 -0.57 1.61 0.13 -1.93 -1.22 132.00 130.01 3hpa h PRO 374 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 3hpa h PRO 374 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 3hpa h PRO 374 CO 0.00 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.37 3hpa n ASP 375 N -2.90 3.94 0.23 1.44 3.85 -1.26 -4.52 116.55 117.32 3hpa n ASP 375 Ca -0.02 -2.21 0.07 0.00 -0.71 0.00 0.00 54.79 51.91 3hpa n ASP 375 Cb 0.19 -0.45 0.54 0.00 -1.35 0.00 0.00 41.12 40.04 3hpa n ASP 375 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3hpa h ALA 376 N 3.46 1.54 -1.60 2.12 0.00 -1.50 -3.44 119.26 119.84 3hpa h ALA 376 Ca 0.00 -0.18 0.10 0.00 0.00 0.00 0.00 54.91 54.83 3hpa h ALA 376 Cb 1.10 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.60 3hpa h ALA 376 CO 0.09 0.25 0.32 1.41 0.00 0.00 0.00 179.25 181.32 3hpa s MET 377 N -4.45 0.43 0.50 0.00 1.75 -1.26 -4.65 119.30 111.62 3hpa s MET 377 Ca -0.03 0.75 -0.01 0.00 -1.25 0.00 0.00 55.69 55.15 3hpa s MET 377 Cb 0.15 0.10 0.01 0.00 2.84 0.00 0.00 34.83 37.92 3hpa s MET 377 CO 0.67 -0.09 0.73 0.95 -0.65 0.00 0.00 175.02 176.63 3hpa s THR 378 N 1.42 3.67 0.18 10.11 -4.23 -1.26 -4.95 115.64 120.58 3hpa s THR 378 Ca -0.09 -0.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.85 3hpa s THR 378 Cb -0.04 -3.38 0.09 0.00 1.34 0.00 0.00 72.50 70.51 3hpa s THR 378 CO -0.16 -0.29 1.84 0.00 -0.54 0.00 0.00 174.62 175.47 3hpa h ALA 379 N 0.23 0.76 0.00 3.99 0.00 -1.97 -1.24 119.26 121.02 3hpa h ALA 379 Ca -0.45 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3hpa h ALA 379 Cb 1.26 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 3hpa h ALA 379 CO 0.57 0.21 -0.27 0.00 0.00 0.00 0.00 179.25 179.76 3hpa h ARG 380 N 0.81 0.00 -0.17 0.00 3.08 -1.95 -1.26 114.38 114.89 3hpa h ARG 380 Ca 0.22 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.16 3hpa h ARG 380 Cb -0.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3hpa h ARG 380 CO -0.04 0.27 -0.33 1.49 -1.07 0.00 0.00 179.97 180.28 3hpa h GLU 381 N 0.00 0.52 -0.46 0.04 4.81 -1.74 -1.24 114.58 116.51 3hpa h GLU 381 Ca -0.00 -0.34 -0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3hpa h GLU 381 Cb 0.53 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.93 3hpa h GLU 381 CO 0.03 0.94 0.23 0.00 -0.73 0.00 0.00 179.01 179.49 3hpa h ALA 382 N 0.57 0.59 -0.04 2.92 0.00 -0.84 -2.09 119.26 120.37 3hpa h ALA 382 Ca 0.01 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 3hpa h ALA 382 Cb 0.93 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 3hpa h ALA 382 CO 0.07 0.14 -0.24 1.25 0.00 0.00 0.00 179.25 180.47 3hpa h LEU 383 N 0.59 0.06 -0.34 0.00 7.12 -1.22 -1.76 115.31 119.76 3hpa h LEU 383 Ca 0.16 -0.01 -0.14 0.00 0.13 0.00 0.00 57.88 58.02 3hpa h LEU 383 Cb 0.10 -0.02 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 3hpa h LEU 383 CO -0.02 0.30 -0.32 -0.08 -0.13 0.00 0.00 178.44 178.19 3hpa h GLU 384 N 0.06 0.82 -0.60 1.25 4.81 -0.72 -2.32 114.58 117.88 3hpa h GLU 384 Ca 0.01 -0.43 -0.05 0.00 -0.13 0.00 0.00 59.36 58.77 3hpa h GLU 384 Cb 0.46 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.82 3hpa h GLU 384 CO 0.03 1.06 0.19 0.82 -0.73 0.00 0.00 179.01 180.39 3hpa h ILE 385 N 0.61 1.23 0.00 2.32 2.04 -0.99 0.87 117.51 123.59 3hpa h ILE 385 Ca 0.06 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.14 3hpa h ILE 385 Cb 0.90 0.56 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3hpa h ILE 385 CO 0.08 0.30 0.00 0.00 0.00 0.00 0.00 178.15 178.53 3hpa n ALA 386 N -2.45 1.92 -1.20 1.87 0.00 -0.70 -1.87 120.51 118.06 3hpa n ALA 386 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3hpa n ALA 386 Cb 0.20 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.30 3hpa n ALA 386 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hpa n THR 387 N -1.69 0.00 -0.04 0.00 -2.24 -0.64 -0.35 114.28 109.32 3hpa n THR 387 Ca 0.04 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.84 3hpa n THR 387 Cb 0.25 -0.40 0.32 0.00 -2.10 0.00 0.00 70.33 68.41 3hpa n THR 387 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 3hpa h LEU 388 N 0.00 0.56 -0.38 3.22 3.38 -1.01 -2.39 115.31 118.69 3hpa h LEU 388 Ca 0.00 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 3hpa h LEU 388 Cb 0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3hpa h LEU 388 CO 0.00 0.51 0.01 1.23 0.09 0.00 0.00 178.44 180.28 3hpa h GLY 389 N 0.77 0.71 1.02 0.83 0.00 -1.22 -0.84 103.07 104.34 3hpa h GLY 389 Ca 0.15 -0.52 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 3hpa h GLY 389 CO -0.01 0.47 0.43 -1.33 0.00 0.00 0.00 176.54 176.11 3hpa h GLY 390 N 0.48 1.21 0.94 4.60 0.00 -1.12 -0.88 103.07 108.30 3hpa h GLY 390 Ca 0.11 -0.56 -0.02 0.00 0.00 0.00 0.00 47.33 46.86 3hpa h GLY 390 CO 0.02 0.53 -0.18 0.00 0.00 0.00 0.00 176.54 176.91 3hpa h ALA 391 N 1.23 -0.50 -0.44 3.60 0.00 -1.27 -1.37 119.26 120.50 3hpa h ALA 391 Ca 0.28 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.15 3hpa h ALA 391 Cb 0.04 0.19 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 3hpa h ALA 391 CO -0.04 -0.75 -0.13 -0.22 0.00 0.00 0.00 179.25 178.11 3hpa h LYS 392 N -0.56 -0.02 -0.47 0.00 3.11 -0.91 0.37 116.57 118.10 3hpa h LYS 392 Ca -0.05 0.00 0.04 0.00 -2.81 0.00 0.00 60.65 57.83 3hpa h LYS 392 Cb 0.42 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.63 3hpa h LYS 392 CO 0.08 -0.01 0.31 0.28 -2.81 0.00 0.00 179.45 177.30 3hpa h VAL 393 N -0.02 1.02 -0.01 2.00 2.07 -1.01 0.77 116.25 121.07 3hpa h VAL 393 Ca 0.21 -0.16 0.00 0.00 0.82 0.00 0.00 66.70 67.57 3hpa h VAL 393 Cb 0.35 0.51 0.00 0.00 -1.52 0.00 0.00 31.29 30.62 3hpa h VAL 393 CO -0.47 0.09 -0.09 0.18 0.02 0.00 0.00 177.57 177.30 3hpa n LEU 394 N -4.48 1.07 -2.97 2.57 4.32 -0.40 -4.61 117.00 112.50 3hpa n LEU 394 Ca 0.05 -0.31 -0.15 0.00 -0.02 0.00 0.00 56.01 55.59 3hpa n LEU 394 Cb 0.18 -0.06 0.07 0.00 -1.62 0.00 0.00 43.42 41.99 3hpa n LEU 394 CO 0.35 0.19 0.10 -3.20 -1.22 0.00 0.00 177.39 173.61 3hpa n ASN 395 N -0.34 -2.52 -4.08 -1.43 4.05 0.26 -4.95 115.26 106.24 3hpa n ASN 395 Ca 0.17 -0.49 -0.19 0.00 0.45 0.00 0.00 54.58 54.51 3hpa n ASN 395 Cb 0.32 -4.24 -0.14 0.00 1.23 0.00 0.00 39.78 36.95 3hpa n ASN 395 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 177.26 174.08 3hpa s ARG 396 N -5.24 0.87 -0.06 1.20 0.52 -0.56 -5.02 118.95 110.67 3hpa s ARG 396 Ca 0.07 -0.54 0.09 0.00 -0.52 0.00 0.00 55.73 54.83 3hpa s ARG 396 Cb -0.03 -0.84 0.14 0.00 0.52 0.00 0.00 34.95 34.74 3hpa s ARG 396 CO 0.59 0.22 1.05 -0.40 0.02 0.00 0.00 175.30 176.79 3hpa n ASP 397 N 2.40 2.04 -1.02 0.23 5.75 -1.26 -4.06 116.55 120.63 3hpa n ASP 397 Ca -0.16 -2.48 0.08 0.00 -0.01 0.00 0.00 54.79 52.22 3hpa n ASP 397 Cb 0.56 -0.21 0.25 0.00 -1.03 0.00 0.00 41.12 40.69 3hpa n ASP 397 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3hpa n ASP 398 N -0.91 3.75 -3.71 -1.12 5.75 -1.26 -4.96 116.55 114.09 3hpa n ASP 398 Ca 0.08 -2.36 -0.13 0.00 -0.01 0.00 0.00 54.79 52.37 3hpa n ASP 398 Cb 0.46 -0.42 -0.06 0.00 -1.03 0.00 0.00 41.12 40.06 3hpa n ASP 398 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 3hpa s ILE 399 N -1.65 0.00 0.00 2.12 -4.36 -1.26 -0.10 121.20 115.94 3hpa s ILE 399 Ca 0.37 -1.66 0.00 0.00 -0.26 0.00 0.00 60.65 59.11 3hpa s ILE 399 Cb 0.24 -2.46 0.00 0.00 1.25 0.00 0.00 42.46 41.49 3hpa s ILE 399 CO 0.18 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.97 3hpa n GLY 400 N -0.44 1.26 3.22 6.27 0.00 -1.26 -4.87 105.19 109.36 3hpa n GLY 400 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 3hpa n GLY 400 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpa s ALA 401 N -2.70 -0.74 -0.62 4.61 0.00 -1.26 -3.97 121.76 117.08 3hpa s ALA 401 Ca 0.00 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 3hpa s ALA 401 Cb 0.00 -0.05 0.15 0.00 0.00 0.00 0.00 23.12 23.22 3hpa s ALA 401 CO 0.00 -0.23 0.60 -0.51 0.00 0.00 0.00 175.76 175.62 3hpa s LEU 402 N -1.01 6.24 0.12 0.00 1.02 0.13 -4.76 118.68 120.43 3hpa s LEU 402 Ca -0.11 -1.98 -0.25 0.00 0.02 0.00 0.00 54.13 51.81 3hpa s LEU 402 Cb -0.05 -2.22 0.07 0.00 0.02 0.00 0.00 46.19 44.01 3hpa s LEU 402 CO 0.03 -0.82 0.76 -1.59 0.02 0.00 0.00 176.35 174.75 3hpa s LYS 403 N 1.37 1.19 0.38 1.70 -2.85 -1.26 -4.67 119.74 115.60 3hpa s LYS 403 Ca 0.08 -0.52 -0.25 0.00 -1.00 0.00 0.00 55.97 54.28 3hpa s LYS 403 Cb -0.24 0.50 -0.12 0.00 -2.06 0.00 0.00 37.83 35.91 3hpa s LYS 403 CO 0.00 -0.53 1.00 -2.30 0.10 0.00 0.00 175.35 173.62 3hpa n PRO 404 N -0.36 1.36 -0.95 1.78 -0.02 -1.26 -2.32 135.00 133.24 3hpa n PRO 404 Ca -0.11 0.48 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 3hpa n PRO 404 Cb 0.62 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 3hpa n PRO 404 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3hpa n GLY 405 N 1.20 0.79 3.89 -1.23 0.00 -0.34 -5.00 105.19 104.50 3hpa n GLY 405 Ca 0.09 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3hpa n GLY 405 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3hpa s MET 406 N -0.05 2.71 0.31 1.61 -1.94 -0.98 -4.93 119.30 116.03 3hpa s MET 406 Ca 0.00 -1.34 -0.29 0.00 -1.71 0.00 0.00 55.69 52.35 3hpa s MET 406 Cb 0.00 -2.51 -0.10 0.00 2.01 0.00 0.00 34.83 34.24 3hpa s MET 406 CO 0.00 -0.03 1.20 0.00 -0.01 0.00 0.00 175.02 176.18 3hpa s ALA 407 N -2.35 3.45 -1.10 3.03 0.00 0.85 -1.34 121.76 124.30 3hpa s ALA 407 Ca 0.45 1.08 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 3hpa s ALA 407 Cb -0.06 -3.40 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 3hpa s ALA 407 CO 0.28 -0.41 2.16 0.00 0.00 0.00 0.00 175.76 177.79 3hpa n ALA 408 N 0.96 4.69 -3.12 0.00 0.00 -0.67 -4.69 120.51 117.69 3hpa n ALA 408 Ca -0.00 -3.31 -0.29 0.00 0.00 0.00 0.00 53.44 49.83 3hpa n ALA 408 Cb 0.43 -3.48 -0.17 0.00 0.00 0.00 0.00 19.45 16.24 3hpa n ALA 408 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3hpa s ASP 409 N 3.88 2.62 0.11 0.00 1.01 -1.26 -1.44 116.67 121.58 3hpa s ASP 409 Ca 0.52 -0.45 -0.25 0.00 0.71 0.00 0.00 52.55 53.08 3hpa s ASP 409 Cb 0.14 -1.01 0.08 0.00 1.01 0.00 0.00 42.92 43.13 3hpa s ASP 409 CO 0.01 0.15 0.80 0.72 0.21 0.00 0.00 175.17 177.06 3hpa s PHE 410 N 0.25 -0.34 0.06 4.23 -0.12 -0.41 -2.61 117.98 119.04 3hpa s PHE 410 Ca -0.12 0.11 0.08 0.00 -0.05 0.00 0.00 56.93 56.95 3hpa s PHE 410 Cb -0.15 0.58 -0.03 0.00 -0.63 0.00 0.00 43.02 42.79 3hpa s PHE 410 CO 0.06 -0.77 -0.21 0.00 -0.05 0.00 0.00 175.22 174.25 3hpa s ALA 411 N -3.43 1.77 -0.06 1.99 0.00 0.50 -0.78 121.76 121.75 3hpa s ALA 411 Ca 0.06 -1.12 0.03 0.00 0.00 0.00 0.00 51.96 50.93 3hpa s ALA 411 Cb -0.02 -0.31 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3hpa s ALA 411 CO -0.06 0.38 -0.14 0.00 0.00 0.00 0.00 175.76 175.94 3hpa s ALA 412 N -0.93 1.34 -0.05 0.00 0.00 -0.30 -0.55 121.76 121.27 3hpa s ALA 412 Ca 0.07 -0.50 0.06 0.00 0.00 0.00 0.00 51.96 51.59 3hpa s ALA 412 Cb -0.09 -0.55 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 3hpa s ALA 412 CO 0.03 0.16 -0.24 -0.06 0.00 0.00 0.00 175.76 175.65 3hpa s PHE 413 N 0.48 2.45 -0.61 0.00 0.40 0.17 0.12 117.98 120.98 3hpa s PHE 413 Ca -0.12 -0.62 -0.28 0.00 -0.60 0.00 0.00 56.93 55.31 3hpa s PHE 413 Cb -0.14 -1.59 0.03 0.00 0.51 0.00 0.00 43.02 41.83 3hpa s PHE 413 CO 0.03 -0.15 1.20 0.34 0.70 0.00 0.00 175.22 177.35 3hpa s ASP 414 N -0.28 6.39 0.00 1.36 3.68 -1.26 -0.31 116.67 126.24 3hpa s ASP 414 Ca 0.00 -0.02 0.13 0.00 2.13 0.00 0.00 52.55 54.79 3hpa s ASP 414 Cb -0.13 -2.55 0.78 0.00 -1.45 0.00 0.00 42.92 39.57 3hpa s ASP 414 CO 0.03 -1.55 1.20 0.18 0.13 0.00 0.00 175.17 175.16 3hpa n LEU 415 N 8.61 0.00 -0.28 -1.34 4.77 -0.43 -2.81 117.00 125.52 3hpa n LEU 415 Ca 0.07 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.18 3hpa n LEU 415 Cb 0.49 0.00 0.28 0.00 -2.33 0.00 0.00 43.42 41.86 3hpa n LEU 415 CO 0.71 0.00 0.55 0.54 -1.33 0.00 0.00 177.39 177.86 3hpa n ARG 416 N -0.91 0.85 -2.04 3.23 1.74 -1.26 -4.73 116.66 113.54 3hpa n ARG 416 Ca 0.10 -0.56 -0.36 0.00 -0.77 0.00 0.00 57.85 56.26 3hpa n ARG 416 Cb 0.04 -1.49 0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3hpa n ARG 416 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3hpa s GLN 417 N -2.54 3.04 0.40 5.56 -0.21 -1.12 -4.91 119.66 119.88 3hpa s GLN 417 Ca 0.22 1.82 0.11 0.00 0.02 0.00 0.00 55.36 57.53 3hpa s GLN 417 Cb 0.19 -1.96 0.91 0.00 1.00 0.00 0.00 33.01 33.15 3hpa s GLN 417 CO 0.55 -1.15 1.95 -1.35 -2.12 0.00 0.00 175.29 173.17 3hpa h PRO 418 N 0.97 0.54 -0.10 2.91 0.11 -1.93 -1.78 132.00 132.72 3hpa h PRO 418 Ca -0.50 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 65.60 3hpa h PRO 418 Cb 1.29 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3hpa h PRO 418 CO 0.55 0.36 0.09 1.37 -0.21 0.00 0.00 178.00 180.16 3hpa h LEU 419 N 0.56 0.00 -0.74 2.35 8.10 -1.96 0.62 115.31 124.23 3hpa h LEU 419 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.32 3hpa h LEU 419 Cb 0.53 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.75 3hpa h LEU 419 CO -0.11 0.00 -0.25 0.49 -4.11 0.00 0.00 178.44 174.46 3hpa n PHE 420 N -4.21 0.00 -1.71 0.17 0.99 -0.68 -4.61 117.46 107.41 3hpa n PHE 420 Ca -0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.03 3hpa n PHE 420 Cb 0.20 -0.07 -0.03 0.00 -1.00 0.00 0.00 39.48 38.58 3hpa n PHE 420 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 3hpa s ALA 421 N -2.39 3.64 0.00 4.37 0.00 0.21 -1.53 121.76 126.05 3hpa s ALA 421 Ca 0.26 1.33 0.00 0.00 0.00 0.00 0.00 51.96 53.55 3hpa s ALA 421 Cb 0.19 -3.81 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3hpa s ALA 421 CO 0.49 -1.46 0.00 0.41 0.00 0.00 0.00 175.76 175.20 3hpa n GLY 422 N 4.42 0.67 0.05 0.00 0.00 -1.26 -4.92 105.19 104.15 3hpa n GLY 422 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 46.02 46.16 3hpa n GLY 422 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3hpa n ALA 423 N -0.10 1.95 1.94 4.61 0.00 -0.58 -4.70 120.51 123.63 3hpa n ALA 423 Ca 0.00 -1.37 0.01 0.00 0.00 0.00 0.00 53.44 52.08 3hpa n ALA 423 Cb 0.00 -0.13 0.06 0.00 0.00 0.00 0.00 19.45 19.38 3hpa n ALA 423 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3hpa n LEU 424 N -0.66 0.00 0.25 0.00 4.77 -1.26 -2.81 117.00 117.29 3hpa n LEU 424 Ca 0.04 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.16 3hpa n LEU 424 Cb 0.41 0.00 0.52 0.00 -2.33 0.00 0.00 43.42 42.02 3hpa n LEU 424 CO 0.00 0.00 0.88 0.45 -1.33 0.00 0.00 177.39 177.39 3hpa h HIS 425 N 0.00 0.00 -1.12 -1.77 3.86 -1.95 -3.37 115.15 110.80 3hpa h HIS 425 Ca 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 60.37 59.05 3hpa h HIS 425 Cb 0.00 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 28.28 3hpa h HIS 425 CO 0.00 0.11 -0.51 0.34 0.86 0.00 0.00 177.93 178.72 3hpa s ASP 426 N -5.98 -1.20 0.39 2.45 -1.08 -1.12 -5.03 116.67 105.10 3hpa s ASP 426 Ca 0.02 -1.51 0.11 0.00 -0.52 0.00 0.00 52.55 50.65 3hpa s ASP 426 Cb 0.09 1.73 0.91 0.00 -1.46 0.00 0.00 42.92 44.19 3hpa s ASP 426 CO 0.60 -0.10 1.91 -0.65 0.52 0.00 0.00 175.17 177.44 3hpa h PRO 427 N 5.74 0.56 0.03 4.34 0.11 -1.74 0.76 132.00 141.80 3hpa h PRO 427 Ca 0.07 -0.03 -0.00 0.00 0.11 0.00 0.00 66.00 66.14 3hpa h PRO 427 Cb 1.12 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.10 3hpa h PRO 427 CO 0.07 0.37 -0.01 0.28 -0.21 0.00 0.00 178.00 178.49 3hpa h VAL 428 N 0.58 1.19 -0.60 3.15 2.07 -1.96 -2.95 116.25 117.74 3hpa h VAL 428 Ca 0.39 -0.67 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 3hpa h VAL 428 Cb 0.70 1.64 -0.03 0.00 -1.52 0.00 0.00 31.29 32.08 3hpa h VAL 428 CO -0.15 0.17 0.09 0.00 0.02 0.00 0.00 177.57 177.71 3hpa h ALA 429 N 0.64 1.04 -0.98 1.67 0.00 -1.79 -2.97 119.26 116.86 3hpa h ALA 429 Ca -0.00 -0.25 0.19 0.00 0.00 0.00 0.00 54.91 54.84 3hpa h ALA 429 Cb 0.31 -0.23 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 3hpa h ALA 429 CO 0.01 0.62 0.61 0.00 0.00 0.00 0.00 179.25 180.49 3hpa h ALA 430 N 1.19 1.80 -0.45 0.00 0.00 -0.75 0.41 119.26 121.45 3hpa h ALA 430 Ca 0.19 0.06 0.13 0.00 0.00 0.00 0.00 54.91 55.29 3hpa h ALA 430 Cb 0.40 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3hpa h ALA 430 CO 0.01 -0.15 0.33 1.25 0.00 0.00 0.00 179.25 180.69 3hpa h LEU 431 N 0.69 0.00 0.04 0.00 5.85 -1.35 -0.31 115.31 120.23 3hpa h LEU 431 Ca 0.55 0.00 -0.38 0.00 0.84 0.00 0.00 57.88 58.89 3hpa h LEU 431 Cb 0.95 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.93 3hpa h LEU 431 CO -0.32 0.00 -2.32 0.52 -0.34 0.00 0.00 178.44 175.98 3hpa n VAL 432 N -4.40 1.59 0.18 1.05 0.31 -0.01 -4.52 118.33 112.53 3hpa n VAL 432 Ca 0.08 -0.60 0.06 0.00 -0.01 0.00 0.00 64.34 63.87 3hpa n VAL 432 Cb 0.53 -1.52 0.20 0.00 -0.91 0.00 0.00 33.84 32.13 3hpa n VAL 432 CO 0.00 0.00 0.00 -0.26 -1.32 0.00 0.00 176.83 175.25 3hpa h PHE 433 N 0.02 0.00 -2.74 3.52 -1.00 -0.96 -3.43 116.94 112.35 3hpa h PHE 433 Ca -0.53 0.00 -0.45 0.00 2.81 0.00 0.00 57.97 59.80 3hpa h PHE 433 Cb 1.95 0.00 0.07 0.00 3.61 0.00 0.00 35.95 41.58 3hpa h PHE 433 CO 0.05 0.34 0.10 0.00 -1.61 0.00 0.00 178.31 177.19 3hpa n ALA 435 N -2.73 1.09 -1.69 0.00 0.00 -1.26 -4.86 120.51 111.06 3hpa n ALA 435 Ca 0.11 0.09 -0.42 0.00 0.00 0.00 0.00 53.44 53.22 3hpa n ALA 435 Cb 0.60 -2.27 -0.03 0.00 0.00 0.00 0.00 19.45 17.75 3hpa n ALA 435 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3hpa s PRO 436 N -2.84 4.13 0.07 0.00 0.04 -1.26 -4.99 135.00 130.14 3hpa s PRO 436 Ca 0.73 2.62 -0.02 0.00 0.04 0.00 0.00 61.00 64.37 3hpa s PRO 436 Cb -0.42 -3.76 -0.04 0.00 0.04 0.00 0.00 34.50 30.31 3hpa s PRO 436 CO 0.48 -0.88 0.25 0.45 0.04 0.00 0.00 177.00 177.34 3hpa s SER 437 N 3.25 6.40 0.44 6.66 0.15 -1.26 -4.97 113.70 124.37 3hpa s SER 437 Ca 0.84 0.38 -0.10 0.00 0.70 0.00 0.00 55.95 57.77 3hpa s SER 437 Cb -0.45 -2.01 -0.06 0.00 -1.71 0.00 0.00 66.02 61.79 3hpa s SER 437 CO 0.38 0.16 0.81 -1.10 1.20 0.00 0.00 173.24 174.69 3hpa s GLN 438 N -2.41 3.74 0.47 5.44 -1.52 -1.26 -4.80 119.66 119.32 3hpa s GLN 438 Ca 0.35 0.48 -0.12 0.00 -1.95 0.00 0.00 55.36 54.13 3hpa s GLN 438 Cb -0.13 -2.35 -0.06 0.00 -0.22 0.00 0.00 33.01 30.26 3hpa s GLN 438 CO 0.25 -0.12 0.87 0.95 -0.25 0.00 0.00 175.29 176.99 3hpa s THR 439 N -2.51 4.72 -0.08 -0.19 -4.23 -0.87 -4.73 115.64 107.75 3hpa s THR 439 Ca 0.51 0.78 -0.11 0.00 -1.18 0.00 0.00 61.69 61.69 3hpa s THR 439 Cb -0.10 -3.76 -0.29 0.00 1.34 0.00 0.00 72.50 69.69 3hpa s THR 439 CO 0.35 -0.69 0.56 0.00 -0.54 0.00 0.00 174.62 174.30 3hpa h ALA 440 N 0.84 0.23 -3.32 3.99 0.00 -0.68 -3.30 119.26 117.01 3hpa h ALA 440 Ca -0.47 -1.19 -0.22 0.00 0.00 0.00 0.00 54.91 53.03 3hpa h ALA 440 Cb 1.19 0.53 -0.24 0.00 0.00 0.00 0.00 17.79 19.27 3hpa h ALA 440 CO 0.63 1.05 -0.72 0.71 0.00 0.00 0.00 179.25 180.92 3hpa s TYR 441 N -2.55 0.28 -0.07 0.00 2.02 -1.14 0.84 117.35 116.73 3hpa s TYR 441 Ca -0.19 -0.33 -0.01 0.00 -0.37 0.00 0.00 57.07 56.18 3hpa s TYR 441 Cb 0.05 -0.19 0.03 0.00 -0.40 0.00 0.00 41.96 41.45 3hpa s TYR 441 CO 0.81 -0.10 -0.01 0.99 -1.57 0.00 0.00 175.55 175.67 3hpa s THR 442 N -0.89 0.44 -0.11 -0.71 2.01 -0.54 -1.15 115.64 114.69 3hpa s THR 442 Ca -0.08 0.06 0.01 0.00 0.31 0.00 0.00 61.69 61.99 3hpa s THR 442 Cb -0.06 -0.57 -0.01 0.00 0.01 0.00 0.00 72.50 71.86 3hpa s THR 442 CO -0.00 0.26 -0.15 -0.69 -0.69 0.00 0.00 174.62 173.34 3hpa s VAL 443 N 1.81 2.87 -0.07 3.82 1.01 0.04 -1.16 120.40 128.73 3hpa s VAL 443 Ca 0.03 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.27 3hpa s VAL 443 Cb -0.13 -2.17 0.02 0.00 0.00 0.00 0.00 36.38 34.11 3hpa s VAL 443 CO -0.05 0.54 -0.04 -0.69 0.00 0.00 0.00 175.10 174.86 3hpa s VAL 444 N 0.14 0.64 -1.73 2.92 1.01 -0.24 -1.29 120.40 121.84 3hpa s VAL 444 Ca -0.08 -0.11 -0.00 0.00 0.00 0.00 0.00 61.98 61.79 3hpa s VAL 444 Cb -0.15 -0.69 0.00 0.00 0.00 0.00 0.00 36.38 35.54 3hpa s VAL 444 CO 0.05 0.28 0.06 -3.20 0.00 0.00 0.00 175.10 172.29 3hpa n ASN 445 N 4.56 -5.84 0.00 3.32 4.05 -0.88 -1.43 115.26 119.03 3hpa n ASN 445 Ca -0.16 -0.03 0.00 0.00 0.45 0.00 0.00 54.58 54.83 3hpa n ASN 445 Cb 0.50 -4.85 0.00 0.00 1.23 0.00 0.00 39.78 36.66 3hpa n ASN 445 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3hpa n GLY 446 N -1.05 1.28 3.73 8.20 0.00 -0.52 -4.06 105.19 112.76 3hpa n GLY 446 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.45 3hpa n GLY 446 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hpa s LYS 447 N -0.18 3.03 -0.39 1.61 2.20 -0.51 -4.94 119.74 120.55 3hpa s LYS 447 Ca 0.00 -0.43 -0.29 0.00 -0.36 0.00 0.00 55.97 54.89 3hpa s LYS 447 Cb 0.00 -2.84 0.02 0.00 -1.51 0.00 0.00 37.83 33.50 3hpa s LYS 447 CO 0.00 0.69 1.11 0.08 -0.36 0.00 0.00 175.35 176.86 3hpa s VAL 448 N -1.01 4.37 -0.19 4.02 1.01 -1.26 -1.08 120.40 126.26 3hpa s VAL 448 Ca 0.17 1.52 0.10 0.00 0.00 0.00 0.00 61.98 63.77 3hpa s VAL 448 Cb -0.12 -4.49 -0.22 0.00 0.00 0.00 0.00 36.38 31.55 3hpa s VAL 448 CO 0.07 -0.70 0.09 0.52 0.00 0.00 0.00 175.10 175.07 3hpa n VAL 449 N 6.29 1.49 -4.30 2.92 0.31 -0.31 -4.62 118.33 120.11 3hpa n VAL 449 Ca 0.12 -0.75 -0.29 0.00 -0.01 0.00 0.00 64.34 63.42 3hpa n VAL 449 Cb 0.48 -0.94 -0.17 0.00 -0.91 0.00 0.00 33.84 32.30 3hpa n VAL 449 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3hpa s VAL 450 N -2.52 1.48 -0.18 2.52 1.01 -0.91 -0.25 120.40 121.55 3hpa s VAL 450 Ca -0.18 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.20 3hpa s VAL 450 Cb 0.07 -1.37 0.03 0.00 0.00 0.00 0.00 36.38 35.12 3hpa s VAL 450 CO 0.76 0.44 -0.13 -0.60 0.00 0.00 0.00 175.10 175.56 3hpa s ARG 451 N 1.17 2.30 -1.45 2.72 3.52 0.69 -1.46 118.95 126.44 3hpa s ARG 451 Ca -0.03 -0.78 -0.08 0.00 -0.13 0.00 0.00 55.73 54.71 3hpa s ARG 451 Cb -0.14 -2.37 0.05 0.00 -1.56 0.00 0.00 34.95 30.93 3hpa s ARG 451 CO -0.04 -0.33 0.86 0.39 -0.81 0.00 0.00 175.30 175.37 3hpa n GLU 452 N 4.69 -5.25 -0.21 5.12 1.02 0.25 -1.35 120.64 124.89 3hpa n GLU 452 Ca -0.16 0.60 0.00 0.00 -0.02 0.00 0.00 57.16 57.58 3hpa n GLU 452 Cb 0.48 -5.35 0.00 0.00 -0.02 0.00 0.00 31.44 26.55 3hpa n GLU 452 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3hpa n GLY 453 N -1.67 2.25 3.74 0.62 0.00 -0.18 -4.99 105.19 104.96 3hpa n GLY 453 Ca -0.09 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3hpa n GLY 453 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3hpa s ARG 454 N -0.11 2.91 -0.10 1.61 0.52 -0.46 -5.02 118.95 118.31 3hpa s ARG 454 Ca 0.00 -0.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.35 3hpa s ARG 454 Cb 0.00 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 3hpa s ARG 454 CO 0.00 0.63 1.39 -1.17 0.02 0.00 0.00 175.30 176.17 3hpa s LEU 455 N -1.75 4.25 0.00 2.53 2.96 -1.26 -0.22 118.68 125.18 3hpa s LEU 455 Ca 0.22 1.92 0.21 0.00 -0.22 0.00 0.00 54.13 56.26 3hpa s LEU 455 Cb -0.12 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.81 3hpa s LEU 455 CO 0.13 -0.79 0.90 0.00 -1.32 0.00 0.00 176.35 175.28 3hpa n ALA 456 N 6.48 4.76 1.20 5.97 0.00 0.66 -4.31 120.51 135.28 3hpa n ALA 456 Ca 0.15 -0.60 0.13 0.00 0.00 0.00 0.00 53.44 53.11 3hpa n ALA 456 Cb 0.44 -0.77 0.32 0.00 0.00 0.00 0.00 19.45 19.44 3hpa n ALA 456 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3hpa n THR 457 N -1.50 0.00 -3.57 0.00 -2.24 -1.25 -4.95 114.28 100.78 3hpa n THR 457 Ca 0.04 -0.14 -0.06 0.00 -2.27 0.00 0.00 64.05 61.63 3hpa n THR 457 Cb 0.33 0.50 -0.02 0.00 -2.10 0.00 0.00 70.33 69.04 3hpa n THR 457 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 3hpa s LEU 458 N -2.53 -0.22 -0.72 3.22 0.05 -1.26 -4.84 118.68 112.38 3hpa s LEU 458 Ca 0.23 0.03 -0.27 0.00 0.05 0.00 0.00 54.13 54.17 3hpa s LEU 458 Cb 0.19 1.59 0.03 0.00 -2.05 0.00 0.00 46.19 45.96 3hpa s LEU 458 CO 0.54 -0.35 1.24 -0.62 -0.55 0.00 0.00 176.35 176.61 3hpa s ASP 459 N -2.14 6.18 0.19 1.48 2.15 -1.26 -4.75 116.67 118.52 3hpa s ASP 459 Ca 0.07 -0.46 -0.07 0.00 0.43 0.00 0.00 52.55 52.52 3hpa s ASP 459 Cb -0.01 -2.54 0.10 0.00 -0.30 0.00 0.00 42.92 40.17 3hpa s ASP 459 CO -0.06 -1.77 1.58 0.25 -0.17 0.00 0.00 175.17 175.00 3hpa h LEU 460 N 12.76 0.87 -0.52 -1.34 5.85 -1.99 -3.35 115.31 127.58 3hpa h LEU 460 Ca -0.28 -0.34 0.09 0.00 0.84 0.00 0.00 57.88 58.19 3hpa h LEU 460 Cb 1.05 -0.24 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 3hpa h LEU 460 CO 1.26 1.08 0.14 -0.65 -0.34 0.00 0.00 178.44 179.94 3hpa h PRO 461 N 0.72 0.28 0.00 5.25 0.11 -1.99 -1.14 132.00 135.23 3hpa h PRO 461 Ca 0.09 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 66.14 3hpa h PRO 461 Cb 0.81 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3hpa h PRO 461 CO 0.07 0.19 -0.22 -1.00 -0.21 0.00 0.00 178.00 176.83 3hpa h PRO 462 N 0.29 0.00 -0.01 1.05 0.13 -2.00 -0.94 132.00 130.52 3hpa h PRO 462 Ca 0.26 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.39 3hpa h PRO 462 Cb 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.47 3hpa h PRO 462 CO -0.31 0.22 -0.00 0.28 -0.23 0.00 0.00 178.00 177.95 3hpa h VAL 463 N 0.00 1.26 0.00 1.56 2.07 -1.39 -1.89 116.25 117.86 3hpa h VAL 463 Ca -0.00 -0.79 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3hpa h VAL 463 Cb 0.49 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 3hpa h VAL 463 CO 0.03 0.21 -0.37 0.16 0.02 0.00 0.00 177.57 177.62 3hpa h ILE 464 N -0.30 1.07 -0.37 4.57 3.07 -1.00 0.50 117.51 125.05 3hpa h ILE 464 Ca 0.00 -1.36 -0.04 0.00 1.55 0.00 0.00 64.86 65.01 3hpa h ILE 464 Cb 0.34 1.77 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 3hpa h ILE 464 CO 0.00 0.36 0.07 -0.08 -1.05 0.00 0.00 178.15 177.46 3hpa h GLU 465 N 0.00 0.61 -0.45 0.16 4.81 -1.08 -0.94 114.58 117.69 3hpa h GLU 465 Ca -0.00 -0.16 -0.08 0.00 -0.13 0.00 0.00 59.36 58.99 3hpa h GLU 465 Cb 0.75 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 3hpa h GLU 465 CO 0.05 0.66 -0.05 -0.09 -0.73 0.00 0.00 179.01 178.85 3hpa h ARG 466 N 0.46 0.77 -0.14 1.92 9.65 -0.97 -1.83 114.38 124.25 3hpa h ARG 466 Ca 0.12 -0.23 0.01 0.00 -1.10 0.00 0.00 59.98 58.78 3hpa h ARG 466 Cb 0.34 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.82 3hpa h ARG 466 CO 0.00 0.81 0.04 1.25 2.80 0.00 0.00 179.97 184.88 3hpa h HIS 467 N 0.71 0.08 -0.34 2.20 2.76 -0.48 0.18 115.15 120.27 3hpa h HIS 467 Ca 0.13 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.21 3hpa h HIS 467 Cb 0.51 -0.02 -0.02 0.00 1.55 0.00 0.00 27.41 29.44 3hpa h HIS 467 CO 0.03 0.04 -0.18 -0.91 -1.30 0.00 0.00 177.93 175.60 3hpa h ASN 468 N 0.11 0.62 -0.46 3.26 2.35 -1.05 0.18 115.58 120.59 3hpa h ASN 468 Ca 0.06 -0.20 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 3hpa h ASN 468 Cb 0.04 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 3hpa h ASN 468 CO -0.06 0.81 -0.03 0.00 -1.65 0.00 0.00 177.43 176.49 3hpa h ALA 469 N 1.24 0.97 -0.02 -0.83 0.00 -0.81 -0.63 119.26 119.18 3hpa h ALA 469 Ca 0.09 -0.30 -0.24 0.00 0.00 0.00 0.00 54.91 54.46 3hpa h ALA 469 Cb 0.63 -0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.23 3hpa h ALA 469 CO 0.04 0.62 -0.96 -0.07 0.00 0.00 0.00 179.25 178.89 3hpa h LEU 470 N 0.82 0.74 -1.06 0.00 3.38 -0.29 -2.45 115.31 116.45 3hpa h LEU 470 Ca 0.15 -0.57 0.01 0.00 0.09 0.00 0.00 57.88 57.56 3hpa h LEU 470 Cb 0.54 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.01 3hpa h LEU 470 CO 0.03 1.37 0.64 0.00 0.09 0.00 0.00 178.44 180.57 3hpa h ALA 471 N 0.59 1.32 -0.22 1.53 0.00 -0.41 0.81 119.26 122.88 3hpa h ALA 471 Ca -0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3hpa h ALA 471 Cb 1.59 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 3hpa h ALA 471 CO 0.18 0.62 -0.11 1.25 0.00 0.00 0.00 179.25 181.19 3hpa h HIS 472 N 1.29 0.52 -0.56 0.00 -0.00 -1.08 -2.46 115.15 112.86 3hpa h HIS 472 Ca 0.36 -0.13 -0.02 0.00 -0.00 0.00 0.00 60.37 60.57 3hpa h HIS 472 Cb -0.13 -0.12 -0.03 0.00 -0.00 0.00 0.00 27.41 27.13 3hpa h HIS 472 CO -0.00 0.74 0.25 0.00 -0.00 0.00 0.00 177.93 178.92 3hpa h ALA 473 N 0.70 1.39 0.66 5.26 0.00 -1.04 -0.95 119.26 125.29 3hpa h ALA 473 Ca 0.05 -0.13 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hpa h ALA 473 Cb 0.60 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.17 3hpa h ALA 473 CO 0.03 0.47 -0.32 1.25 0.00 0.00 0.00 179.25 180.69 3hpa h LEU 474 N 0.79 -0.75 -1.62 0.00 5.85 -0.74 -0.19 115.31 118.65 3hpa h LEU 474 Ca 0.19 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.90 3hpa h LEU 474 Cb 0.11 0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 3hpa h LEU 474 CO -0.02 -0.48 0.07 0.58 -0.34 0.00 0.00 178.44 178.24 3hpa h VAL 475 N -0.98 1.11 -0.37 1.05 2.07 -1.33 -1.99 116.25 115.80 3hpa h VAL 475 Ca -0.09 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.05 3hpa h VAL 475 Cb 0.71 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3hpa h VAL 475 CO 0.15 0.13 0.14 -0.08 0.02 0.00 0.00 177.57 177.93 3hpa h GLU 476 N 0.31 0.56 -0.38 1.57 4.57 -0.93 -1.63 114.58 118.66 3hpa h GLU 476 Ca 0.08 -0.11 0.04 0.00 -1.18 0.00 0.00 59.36 58.19 3hpa h GLU 476 Cb 0.11 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.57 3hpa h GLU 476 CO -0.01 0.55 0.17 0.00 -1.18 0.00 0.00 179.01 178.54 3hpa h ALA 477 N 0.99 0.46 0.15 2.92 0.00 -0.28 -3.01 119.26 120.49 3hpa h ALA 477 Ca 0.12 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hpa h ALA 477 Cb 0.20 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 3hpa h ALA 477 CO -0.01 -0.21 -0.07 0.00 0.00 0.00 0.00 179.25 178.96 3hpa h ALA 478 N 1.22 -0.20 0.00 0.00 0.00 -1.28 -3.52 119.26 115.48 3hpa h ALA 478 Ca 0.17 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3hpa h ALA 478 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3hpa h ALA 478 CO -0.14 -0.60 0.00 2.89 0.00 0.00 0.00 179.25 181.40