#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 4.62 -0.05 3.15 -4.23 -1.26 0.47 115.64 118.35 3hpa s THR 30 Ca 0.00 -0.92 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 3hpa s THR 30 Cb 0.00 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.54 3hpa s THR 30 CO 0.00 -0.03 -0.06 -0.22 -0.54 0.00 0.00 174.62 173.77 3hpa s LEU 31 N -2.88 1.45 -0.14 4.79 2.96 -0.16 -1.99 118.68 122.71 3hpa s LEU 31 Ca 0.31 -0.16 0.01 0.00 -0.22 0.00 0.00 54.13 54.06 3hpa s LEU 31 Cb -0.11 -0.52 0.02 0.00 0.50 0.00 0.00 46.19 46.08 3hpa s LEU 31 CO 0.24 -0.02 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.87 3hpa s LEU 32 N 0.77 1.74 -0.16 -0.68 2.96 0.68 -0.69 118.68 123.30 3hpa s LEU 32 Ca -0.12 -0.49 -0.05 0.00 -0.22 0.00 0.00 54.13 53.25 3hpa s LEU 32 Cb -0.14 -1.19 -0.03 0.00 0.50 0.00 0.00 46.19 45.32 3hpa s LEU 32 CO 0.01 -0.03 0.01 -0.69 -1.32 0.00 0.00 176.35 174.33 3hpa s VAL 33 N 1.33 4.36 0.05 1.68 1.01 -0.77 0.17 120.40 128.23 3hpa s VAL 33 Ca 0.02 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.81 3hpa s VAL 33 Cb -0.13 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 3hpa s VAL 33 CO -0.08 0.49 -0.05 -1.59 0.00 0.00 0.00 175.10 173.86 3hpa s LYS 34 N 0.28 0.57 -1.52 2.72 -2.85 -0.15 -1.72 119.74 117.07 3hpa s LYS 34 Ca 0.00 -0.99 -0.01 0.00 -1.00 0.00 0.00 55.97 53.98 3hpa s LYS 34 Cb -0.13 -0.04 0.00 0.00 -2.06 0.00 0.00 37.83 35.60 3hpa s LYS 34 CO 0.02 -0.03 0.09 0.72 0.10 0.00 0.00 175.35 176.25 3hpa n HIS 35 N 0.77 -1.01 -2.11 1.78 8.25 -1.14 -0.74 115.22 121.02 3hpa n HIS 35 Ca -0.18 0.08 -0.41 0.00 -0.26 0.00 0.00 57.72 56.95 3hpa n HIS 35 Cb 0.58 -3.68 -0.02 0.00 1.12 0.00 0.00 29.99 27.99 3hpa n HIS 35 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hpa s ALA 36 N -2.94 3.55 0.19 -1.41 0.00 0.46 -2.12 121.76 119.48 3hpa s ALA 36 Ca 0.05 1.24 -0.13 0.00 0.00 0.00 0.00 51.96 53.12 3hpa s ALA 36 Cb -0.02 -3.50 0.10 0.00 0.00 0.00 0.00 23.12 19.70 3hpa s ALA 36 CO 0.06 -0.64 1.85 -0.44 0.00 0.00 0.00 175.76 176.59 3hpa h ASP 37 N 4.51 0.69 -3.58 0.00 5.19 -1.30 0.54 116.42 122.47 3hpa h ASP 37 Ca -0.47 -0.02 -0.20 0.00 -0.62 0.00 0.00 57.03 55.73 3hpa h ASP 37 Cb 1.22 -0.17 -0.28 0.00 0.18 0.00 0.00 39.33 40.27 3hpa h ASP 37 CO 0.73 0.50 -0.51 -0.69 -3.12 0.00 0.00 179.24 176.15 3hpa s VAL 38 N -6.15 -0.02 -0.12 -1.35 1.01 -1.20 -2.86 120.40 109.71 3hpa s VAL 38 Ca -0.13 0.09 0.01 0.00 0.00 0.00 0.00 61.98 61.94 3hpa s VAL 38 Cb 0.13 -0.30 0.02 0.00 0.00 0.00 0.00 36.38 36.23 3hpa s VAL 38 CO 0.76 0.04 -0.13 -0.22 0.00 0.00 0.00 175.10 175.55 3hpa s LEU 39 N 0.70 1.57 -0.23 3.92 2.96 0.25 -1.27 118.68 126.58 3hpa s LEU 39 Ca -0.05 -0.40 -0.09 0.00 -0.22 0.00 0.00 54.13 53.36 3hpa s LEU 39 Cb -0.06 -1.03 -0.05 0.00 0.50 0.00 0.00 46.19 45.55 3hpa s LEU 39 CO -0.04 -0.04 0.13 0.68 -1.32 0.00 0.00 176.35 175.76 3hpa s VAL 40 N 1.29 5.12 -0.09 1.68 -7.23 -0.43 -0.77 120.40 119.97 3hpa s VAL 40 Ca -0.01 0.10 -0.00 0.00 -1.81 0.00 0.00 61.98 60.25 3hpa s VAL 40 Cb -0.14 -3.37 -0.25 0.00 0.56 0.00 0.00 36.38 33.18 3hpa s VAL 40 CO -0.06 0.37 0.46 0.35 -0.31 0.00 0.00 175.10 175.92 3hpa n THR 41 N 4.20 1.73 -2.37 5.32 -2.24 -0.91 -3.91 114.28 116.10 3hpa n THR 41 Ca -0.15 -0.70 -0.18 0.00 -2.27 0.00 0.00 64.05 60.74 3hpa n THR 41 Cb 0.52 -1.51 -0.01 0.00 -2.10 0.00 0.00 70.33 67.24 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 -3.34 -1.56 -0.13 -0.78 2.81 -1.26 -0.64 117.12 112.23 3hpa n MET 42 Ca -0.27 0.86 0.00 0.00 -1.81 0.00 0.00 57.70 56.48 3hpa n MET 42 Cb 1.05 -5.36 0.00 0.00 -0.71 0.00 0.00 33.22 28.20 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 -1.43 0.00 -0.25 7.83 5.68 -1.26 -4.81 116.55 122.30 3hpa n ASP 43 Ca -0.21 -0.47 0.06 0.00 -0.50 0.00 0.00 54.79 53.67 3hpa n ASP 43 Cb 0.66 0.00 0.19 0.00 -1.14 0.00 0.00 41.12 40.83 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 0.00 0.19 -0.49 -1.12 3.32 -1.99 -1.79 116.42 114.54 3hpa h ASP 44 Ca 0.00 0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.17 3hpa h ASP 44 Cb 0.00 0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3hpa h ASP 44 CO 0.00 0.05 0.00 0.35 -1.72 0.00 0.00 179.24 177.92 3hpa n THR 45 N -5.06 1.63 -3.59 0.35 -2.24 -1.26 -4.95 114.28 99.16 3hpa n THR 45 Ca 0.14 -1.27 -0.26 0.00 -2.27 0.00 0.00 64.05 60.40 3hpa n THR 45 Cb 0.44 0.18 0.05 0.00 -2.10 0.00 0.00 70.33 68.90 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 0.65 -6.34 -1.62 -0.78 5.12 -0.67 -4.91 116.66 108.11 3hpa n ARG 46 Ca 0.21 0.74 -0.41 0.00 -1.93 0.00 0.00 57.85 56.46 3hpa n ARG 46 Cb 0.74 -5.69 0.01 0.00 -1.16 0.00 0.00 32.46 26.36 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 -4.65 1.37 -3.68 5.56 1.74 -1.26 -4.74 116.66 111.00 3hpa n ARG 47 Ca -0.00 0.49 -0.28 0.00 -0.77 0.00 0.00 57.85 57.29 3hpa n ARG 47 Cb 0.56 -2.08 -0.16 0.00 -1.02 0.00 0.00 32.46 29.76 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 -2.08 0.49 0.19 5.56 2.02 -1.26 -2.14 118.70 121.48 3hpa s GLU 48 Ca 0.64 -0.58 -0.03 0.00 0.02 0.00 0.00 54.97 55.02 3hpa s GLU 48 Cb -0.54 -1.83 -0.05 0.00 0.10 0.00 0.00 34.13 31.81 3hpa s GLU 48 CO 0.56 -0.82 0.41 -0.51 0.02 0.00 0.00 175.26 174.92 3hpa s LEU 49 N 1.88 4.22 0.08 1.80 1.43 0.05 -4.87 118.68 123.28 3hpa s LEU 49 Ca 0.04 0.54 0.08 0.00 -1.03 0.00 0.00 54.13 53.76 3hpa s LEU 49 Cb -0.17 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 42.72 3hpa s LEU 49 CO -0.19 -0.02 -0.17 -0.13 0.23 0.00 0.00 176.35 176.07 3hpa s ARG 50 N -3.03 1.95 -1.27 1.70 0.52 -1.26 0.86 118.95 118.42 3hpa s ARG 50 Ca 0.41 -1.08 -0.08 0.00 -0.52 0.00 0.00 55.73 54.46 3hpa s ARG 50 Cb -0.11 -2.17 -0.01 0.00 0.52 0.00 0.00 34.95 33.18 3hpa s ARG 50 CO 0.27 0.51 0.65 -3.47 0.02 0.00 0.00 175.30 173.27 3hpa n ASP 51 N 1.10 -2.58 -3.94 0.23 -0.08 0.12 -4.80 116.55 106.60 3hpa n ASP 51 Ca -0.16 -0.95 -0.21 0.00 -1.51 0.00 0.00 54.79 51.96 3hpa n ASP 51 Cb 0.52 -3.51 -0.09 0.00 2.34 0.00 0.00 41.12 40.39 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 -3.68 2.24 0.00 -1.67 0.00 -0.83 -1.78 121.76 116.04 3hpa s ALA 52 Ca 0.19 -1.66 0.00 0.00 0.00 0.00 0.00 51.96 50.49 3hpa s ALA 52 Cb -0.06 1.07 0.00 0.00 0.00 0.00 0.00 23.12 24.13 3hpa s ALA 52 CO 0.85 -0.48 0.00 0.41 0.00 0.00 0.00 175.76 176.55 3hpa n GLY 53 N -0.69 2.96 3.12 0.00 0.00 -0.72 -0.41 105.19 109.46 3hpa n GLY 53 Ca -0.00 -1.03 -0.15 0.00 0.00 0.00 0.00 46.02 44.84 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 2.29 -0.15 0.99 1.43 -0.70 -2.74 118.68 119.80 3hpa s LEU 54 Ca 0.00 -0.62 0.01 0.00 -1.03 0.00 0.00 54.13 52.49 3hpa s LEU 54 Cb 0.00 -0.29 0.00 0.00 0.03 0.00 0.00 46.19 45.93 3hpa s LEU 54 CO 0.00 -0.18 -0.18 -0.47 0.23 0.00 0.00 176.35 175.75 3hpa s TYR 55 N -1.57 2.74 -0.01 0.29 5.04 0.04 -1.85 117.35 122.04 3hpa s TYR 55 Ca -0.05 -1.16 0.06 0.00 -2.44 0.00 0.00 57.07 53.49 3hpa s TYR 55 Cb -0.08 -1.86 -0.02 0.00 0.35 0.00 0.00 41.96 40.35 3hpa s TYR 55 CO 0.01 -0.53 -0.18 0.42 -1.34 0.00 0.00 175.55 173.93 3hpa s ILE 56 N 0.82 1.46 -0.28 3.14 1.01 0.13 -1.22 121.20 126.26 3hpa s ILE 56 Ca -0.06 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.78 3hpa s ILE 56 Cb -0.15 -1.22 0.06 0.00 0.01 0.00 0.00 42.46 41.16 3hpa s ILE 56 CO -0.01 0.38 -0.06 -1.61 0.00 0.00 0.00 174.94 173.64 3hpa s GLU 57 N -0.52 2.21 5.70 2.79 2.02 -0.81 -0.99 118.70 129.10 3hpa s GLU 57 Ca 0.07 -1.39 0.00 0.00 0.02 0.00 0.00 54.97 53.67 3hpa s GLU 57 Cb -0.07 -3.00 0.00 0.00 0.10 0.00 0.00 34.13 31.16 3hpa s GLU 57 CO -0.00 -0.62 0.00 -0.25 0.02 0.00 0.00 175.26 174.40 3hpa n ASP 58 N 4.46 0.00 -0.65 -0.19 8.00 0.18 -2.35 116.55 126.00 3hpa n ASP 58 Ca -0.12 0.00 0.06 0.00 0.71 0.00 0.00 54.79 55.44 3hpa n ASP 58 Cb 0.42 0.00 0.16 0.00 -0.02 0.00 0.00 41.12 41.68 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 11.00 3.02 -4.19 -2.24 6.94 -1.26 -3.95 115.26 124.58 3hpa n ASN 59 Ca 0.00 -2.14 -0.22 0.00 -0.02 0.00 0.00 54.58 52.20 3hpa n ASN 59 Cb 0.00 -0.26 -0.14 0.00 -2.36 0.00 0.00 39.78 37.02 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 -1.24 1.11 -0.02 -3.83 1.70 -0.99 -1.37 118.95 114.31 3hpa s ARG 60 Ca 0.25 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.37 3hpa s ARG 60 Cb 0.15 -1.17 -0.03 0.00 -0.57 0.00 0.00 34.95 33.32 3hpa s ARG 60 CO 0.14 0.29 0.94 0.42 -1.08 0.00 0.00 175.30 176.01 3hpa s ILE 61 N -0.85 4.89 -0.03 4.99 1.01 -0.56 -1.92 121.20 128.73 3hpa s ILE 61 Ca 0.04 1.96 0.08 0.00 0.00 0.00 0.00 60.65 62.73 3hpa s ILE 61 Cb -0.08 -4.28 -0.12 0.00 0.01 0.00 0.00 42.46 37.99 3hpa s ILE 61 CO 0.02 0.16 0.13 1.33 0.00 0.00 0.00 174.94 176.58 3hpa n VAL 62 N 3.93 0.16 -3.70 2.92 0.24 -0.36 0.90 118.33 122.43 3hpa n VAL 62 Ca 0.05 -0.23 -0.11 0.00 -2.04 0.00 0.00 64.34 62.01 3hpa n VAL 62 Cb 0.51 -0.04 -0.11 0.00 -1.47 0.00 0.00 33.84 32.73 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 -2.45 -1.03 -0.08 2.33 0.00 -1.13 -4.67 121.76 114.73 3hpa s ALA 63 Ca -0.03 1.45 0.01 0.00 0.00 0.00 0.00 51.96 53.39 3hpa s ALA 63 Cb 0.04 -0.88 0.02 0.00 0.00 0.00 0.00 23.12 22.31 3hpa s ALA 63 CO 0.33 -0.25 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 3hpa s VAL 64 N 1.20 0.99 -2.96 0.00 1.01 -1.26 -0.78 120.40 118.59 3hpa s VAL 64 Ca -0.08 -0.33 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3hpa s VAL 64 Cb -0.08 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.34 3hpa s VAL 64 CO -0.10 0.34 0.00 0.61 0.00 0.00 0.00 175.10 175.95 3hpa n GLY 65 N 4.40 -1.27 3.62 4.51 0.00 -1.11 -5.01 105.19 110.34 3hpa n GLY 65 Ca -0.18 -1.04 -0.42 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 1.47 -0.16 1.61 -0.02 -1.26 -1.75 135.00 134.88 3hpa n PRO 66 Ca 0.00 0.52 0.01 0.00 -2.02 0.00 0.00 63.50 62.02 3hpa n PRO 66 Cb 0.00 -2.07 0.29 0.00 -0.02 0.00 0.00 33.50 31.70 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 1.73 0.76 -0.31 2.55 0.02 -1.63 -2.33 113.55 114.33 3hpa h SER 67 Ca -0.44 -0.02 0.09 0.00 -0.84 0.00 0.00 61.79 60.58 3hpa h SER 67 Cb 1.33 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 63.67 3hpa h SER 67 CO 0.58 0.55 0.27 0.00 -1.14 0.00 0.00 176.83 177.10 3hpa h ALA 68 N 1.58 2.12 -0.46 3.77 0.00 -1.89 -1.91 119.26 122.47 3hpa h ALA 68 Ca 0.24 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 3hpa h ALA 68 Cb -0.10 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.62 3hpa h ALA 68 CO -0.05 -0.43 0.09 -0.85 0.00 0.00 0.00 179.25 178.00 3hpa n GLU 69 N -4.09 2.63 -4.48 0.00 0.28 -0.88 -4.98 120.64 109.13 3hpa n GLU 69 Ca 0.05 -3.04 -0.23 0.00 -0.16 0.00 0.00 57.16 53.78 3hpa n GLU 69 Cb 0.43 -1.94 -0.10 0.00 1.43 0.00 0.00 31.44 31.26 3hpa n GLU 69 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 177.13 176.46 3hpa s LEU 70 N -3.06 2.57 0.41 -1.84 1.02 -0.72 -4.96 118.68 112.11 3hpa s LEU 70 Ca 0.47 -1.21 -0.24 0.00 0.02 0.00 0.00 54.13 53.17 3hpa s LEU 70 Cb 0.40 -0.76 -0.11 0.00 0.02 0.00 0.00 46.19 45.74 3hpa s LEU 70 CO 0.07 -0.32 0.94 -2.65 0.02 0.00 0.00 176.35 174.41 3hpa n PRO 71 N -0.68 1.21 0.01 1.29 -0.02 -1.26 -4.89 135.00 130.66 3hpa n PRO 71 Ca -0.05 0.44 0.13 0.00 -2.02 0.00 0.00 63.50 61.99 3hpa n PRO 71 Cb 0.64 -1.95 0.41 0.00 -0.02 0.00 0.00 33.50 32.59 3hpa n PRO 71 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 3hpa n GLU 72 N 0.22 0.04 -4.00 -0.52 1.02 -1.26 -4.95 120.64 111.19 3hpa n GLU 72 Ca 0.10 0.02 -0.13 0.00 -0.02 0.00 0.00 57.16 57.13 3hpa n GLU 72 Cb 0.39 -1.53 -0.02 0.00 -0.02 0.00 0.00 31.44 30.26 3hpa n GLU 72 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3hpa s THR 73 N -3.02 0.00 -0.03 2.62 -4.23 -1.26 -5.16 115.64 104.56 3hpa s THR 73 Ca 0.12 -1.41 -0.30 0.00 -1.18 0.00 0.00 61.69 58.92 3hpa s THR 73 Cb 0.18 -2.69 0.12 0.00 1.34 0.00 0.00 72.50 71.44 3hpa s THR 73 CO 0.62 0.00 1.32 0.00 -0.54 0.00 0.00 174.62 176.02 3hpa s ALA 74 N -2.86 -2.38 0.23 3.99 0.00 -1.26 -4.88 121.76 114.59 3hpa s ALA 74 Ca 0.26 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.62 3hpa s ALA 74 Cb -0.02 0.55 0.23 0.00 0.00 0.00 0.00 23.12 23.88 3hpa s ALA 74 CO 0.17 -1.09 1.88 -0.44 0.00 0.00 0.00 175.76 176.28 3hpa h ASP 75 N 2.00 0.90 -3.29 0.00 3.32 -1.95 -3.40 116.42 114.00 3hpa h ASP 75 Ca -0.28 -0.01 -0.47 0.00 0.02 0.00 0.00 57.03 56.29 3hpa h ASP 75 Cb 1.19 -0.21 -0.36 0.00 0.22 0.00 0.00 39.33 40.17 3hpa h ASP 75 CO 0.30 0.63 -0.79 -0.70 -1.72 0.00 0.00 179.24 176.96 3hpa s GLU 76 N -6.11 1.14 -0.05 3.56 2.12 -0.84 -5.03 118.70 113.50 3hpa s GLU 76 Ca -0.13 -0.14 0.07 0.00 0.36 0.00 0.00 54.97 55.13 3hpa s GLU 76 Cb 0.17 -1.23 -0.01 0.00 0.26 0.00 0.00 34.13 33.31 3hpa s GLU 76 CO 0.79 -0.20 -0.25 0.14 -0.54 0.00 0.00 175.26 175.20 3hpa s VAL 77 N 1.47 2.02 -0.34 3.70 -7.23 -1.26 -0.23 120.40 118.53 3hpa s VAL 77 Ca -0.01 -1.06 -0.01 0.00 -1.81 0.00 0.00 61.98 59.09 3hpa s VAL 77 Cb -0.13 -1.70 0.08 0.00 0.56 0.00 0.00 36.38 35.19 3hpa s VAL 77 CO -0.04 0.56 0.07 -0.76 -0.31 0.00 0.00 175.10 174.63 3hpa s LEU 78 N -0.29 4.47 -0.66 1.32 1.43 0.44 -4.93 118.68 120.46 3hpa s LEU 78 Ca 0.01 -1.67 -0.23 0.00 -1.03 0.00 0.00 54.13 51.20 3hpa s LEU 78 Cb -0.12 -1.73 0.06 0.00 0.03 0.00 0.00 46.19 44.43 3hpa s LEU 78 CO 0.02 -0.37 1.00 -0.62 0.23 0.00 0.00 176.35 176.61 3hpa s ASP 79 N 1.39 6.19 -0.51 2.29 3.68 -1.26 -0.97 116.67 127.47 3hpa s ASP 79 Ca 0.02 -0.86 0.01 0.00 2.13 0.00 0.00 52.55 53.85 3hpa s ASP 79 Cb -0.21 -2.44 0.55 0.00 -1.45 0.00 0.00 42.92 39.37 3hpa s ASP 79 CO -0.03 -1.47 1.94 0.18 0.13 0.00 0.00 175.17 175.91 3hpa n LEU 80 N 7.90 6.98 -4.74 -1.34 4.77 0.08 -4.95 117.00 125.71 3hpa n LEU 80 Ca -0.02 -3.78 -0.39 0.00 -0.03 0.00 0.00 56.01 51.78 3hpa n LEU 80 Cb 0.46 -0.89 0.03 0.00 -2.33 0.00 0.00 43.42 40.69 3hpa n LEU 80 CO 0.65 1.20 0.98 -1.14 -1.33 0.00 0.00 177.39 177.74 3hpa n ARG 81 N -0.94 1.87 -0.91 3.23 0.63 -0.90 -1.55 116.66 118.09 3hpa n ARG 81 Ca 0.58 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 58.18 3hpa n ARG 81 Cb 1.21 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 31.58 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 0.73 0.79 3.44 5.14 0.00 -1.26 -4.90 105.19 109.14 3hpa n GLY 82 Ca 0.08 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.10 2.24 -0.18 1.61 3.76 -0.59 -1.11 115.29 117.92 3hpa s HIS 83 Ca 0.00 -0.36 -0.05 0.00 -0.15 0.00 0.00 55.06 54.50 3hpa s HIS 83 Cb 0.00 -1.03 -0.03 0.00 1.11 0.00 0.00 32.58 32.63 3hpa s HIS 83 CO 0.00 0.60 0.00 -1.17 -0.85 0.00 0.00 174.74 173.32 3hpa s LEU 84 N -3.14 3.38 -0.08 0.89 2.96 0.16 -1.19 118.68 121.66 3hpa s LEU 84 Ca 0.25 -0.12 0.02 0.00 -0.22 0.00 0.00 54.13 54.07 3hpa s LEU 84 Cb -0.06 -1.84 -0.02 0.00 0.50 0.00 0.00 46.19 44.77 3hpa s LEU 84 CO 0.12 0.12 -0.15 0.68 -1.32 0.00 0.00 176.35 175.81 3hpa s VAL 85 N 0.68 3.00 0.11 1.68 -7.23 -0.39 -0.48 120.40 117.76 3hpa s VAL 85 Ca -0.00 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.46 3hpa s VAL 85 Cb -0.14 -2.20 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 3hpa s VAL 85 CO 0.02 0.57 -0.04 -0.63 -0.31 0.00 0.00 175.10 174.71 3hpa s ILE 86 N -0.33 0.59 0.56 -0.62 1.01 -0.00 -1.31 121.20 121.09 3hpa s ILE 86 Ca 0.03 -1.92 -0.21 0.00 0.00 0.00 0.00 60.65 58.54 3hpa s ILE 86 Cb -0.13 -1.75 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 3hpa s ILE 86 CO 0.02 -0.80 1.34 -2.84 0.00 0.00 0.00 174.94 172.66 3hpa s PRO 87 N -3.87 3.08 0.36 2.79 0.02 -1.25 -0.43 135.00 135.69 3hpa s PRO 87 Ca 0.14 2.19 -0.28 0.00 0.02 0.00 0.00 61.00 63.07 3hpa s PRO 87 Cb 0.06 -2.20 -0.12 0.00 0.02 0.00 0.00 34.50 32.26 3hpa s PRO 87 CO -0.04 -1.22 1.33 0.41 -0.33 0.00 0.00 177.00 177.16 3hpa n GLY 88 N 0.73 0.72 3.78 0.52 0.00 -0.79 -4.45 105.19 105.71 3hpa n GLY 88 Ca 0.11 0.30 -0.36 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.36 4.15 -0.21 0.99 1.43 -0.07 -4.65 118.68 118.94 3hpa s LEU 89 Ca 0.56 2.02 -0.01 0.00 -1.03 0.00 0.00 54.13 55.66 3hpa s LEU 89 Cb -0.54 -4.18 0.02 0.00 0.03 0.00 0.00 46.19 41.51 3hpa s LEU 89 CO 0.62 -0.46 -0.11 -0.69 0.23 0.00 0.00 176.35 175.94 3hpa s VAL 90 N -1.67 2.66 -0.19 -1.59 1.01 -0.26 -1.11 120.40 119.25 3hpa s VAL 90 Ca 0.57 -0.88 -0.15 0.00 0.00 0.00 0.00 61.98 61.53 3hpa s VAL 90 Cb -0.21 -2.24 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 3hpa s VAL 90 CO 0.27 0.38 0.37 0.21 0.00 0.00 0.00 175.10 176.32 3hpa s ASN 91 N 1.34 6.42 0.00 3.32 2.47 -0.11 -4.45 114.94 123.93 3hpa s ASN 91 Ca 0.03 0.50 0.15 0.00 0.42 0.00 0.00 52.86 53.96 3hpa s ASN 91 Cb -0.15 -2.22 0.22 0.00 -1.45 0.00 0.00 41.25 37.65 3hpa s ASN 91 CO -0.07 -0.03 1.10 0.35 -3.72 0.00 0.00 177.10 174.73 3hpa n THR 92 N 4.17 0.32 -3.70 -5.21 -2.24 0.57 -1.69 114.28 106.50 3hpa n THR 92 Ca -0.09 -0.66 -0.12 0.00 -2.27 0.00 0.00 64.05 60.91 3hpa n THR 92 Cb 0.51 1.06 -0.10 0.00 -2.10 0.00 0.00 70.33 69.70 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 -1.19 -0.58 0.08 4.78 5.65 -1.26 -4.81 115.29 117.96 3hpa s HIS 93 Ca 0.22 1.31 -0.26 0.00 0.25 0.00 0.00 55.06 56.58 3hpa s HIS 93 Cb 0.14 0.25 0.08 0.00 -1.18 0.00 0.00 32.58 31.87 3hpa s HIS 93 CO 0.20 -0.31 0.81 -1.58 -0.65 0.00 0.00 174.74 173.21 3hpa s HIS 94 N 0.87 -0.36 -0.41 3.88 2.46 -1.26 -1.33 115.29 119.14 3hpa s HIS 94 Ca -0.05 0.15 0.06 0.00 0.47 0.00 0.00 55.06 55.69 3hpa s HIS 94 Cb -0.06 0.57 0.20 0.00 -0.13 0.00 0.00 32.58 33.17 3hpa s HIS 94 CO -0.07 -0.72 0.44 0.72 -2.47 0.00 0.00 174.74 172.64 3hpa n HIS 95 N -0.33 -0.92 -0.22 3.88 8.25 -1.26 -0.25 115.22 124.36 3hpa n HIS 95 Ca -0.10 -3.27 0.11 0.00 -0.26 0.00 0.00 57.72 54.20 3hpa n HIS 95 Cb 0.62 0.13 0.40 0.00 1.12 0.00 0.00 29.99 32.26 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 4.96 0.62 -0.02 -0.41 0.00 -1.91 -0.99 114.93 117.18 3hpa h MET 96 Ca 0.18 -0.04 0.01 0.00 0.00 0.00 0.00 59.70 59.84 3hpa h MET 96 Cb 0.91 -0.14 -0.00 0.00 0.00 0.00 0.00 31.60 32.37 3hpa h MET 96 CO 0.39 0.41 0.03 0.10 0.00 0.00 0.00 176.91 177.84 3hpa h TYR 97 N 0.64 0.00 0.00 -0.22 -0.00 -1.92 -0.11 116.97 115.36 3hpa h TYR 97 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.13 3hpa h TYR 97 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.37 3hpa h TYR 97 CO -0.00 0.00 0.00 1.04 -0.00 0.00 0.00 178.16 179.20 3hpa n GLN 98 N -3.58 0.00 0.23 0.10 6.02 -0.38 -2.23 117.38 117.56 3hpa n GLN 98 Ca -0.02 0.35 0.16 0.00 -0.01 0.00 0.00 57.00 57.47 3hpa n GLN 98 Cb 0.11 -1.51 0.80 0.00 1.02 0.00 0.00 30.24 30.67 3hpa n GLN 98 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 177.06 176.82 3hpa h SER 99 N 0.00 0.00 1.07 1.08 0.02 -1.18 -0.81 113.55 113.72 3hpa h SER 99 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3hpa h SER 99 Cb 0.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.70 3hpa h SER 99 CO 0.00 0.00 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.18 3hpa h LEU 100 N 0.00 0.00 -6.02 5.07 3.38 -1.68 -3.39 115.31 112.67 3hpa h LEU 100 Ca 0.00 -0.14 -0.57 0.00 0.09 0.00 0.00 57.88 57.26 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 0.07 -0.87 0.35 0.09 0.00 0.00 178.44 178.08 3hpa n THR 101 N -2.19 0.87 -3.89 0.22 -2.24 -0.31 -4.70 114.28 102.04 3hpa n THR 101 Ca 0.04 -4.67 -0.36 0.00 -2.27 0.00 0.00 64.05 56.79 3hpa n THR 101 Cb 0.44 -1.83 -0.06 0.00 -2.10 0.00 0.00 70.33 66.78 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 -1.98 3.43 -1.33 -0.78 0.52 -1.25 -4.42 118.95 113.13 3hpa s ARG 102 Ca 0.38 -0.18 -0.03 0.00 -0.52 0.00 0.00 55.73 55.39 3hpa s ARG 102 Cb 0.19 -3.16 0.02 0.00 0.52 0.00 0.00 34.95 32.51 3hpa s ARG 102 CO -0.07 0.75 0.21 0.00 0.02 0.00 0.00 175.30 176.22 3hpa n ALA 103 N 1.74 -0.84 -1.97 2.13 0.00 -1.26 -4.90 120.51 115.41 3hpa n ALA 103 Ca -0.18 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 52.99 3hpa n ALA 103 Cb 0.54 -2.34 -0.03 0.00 0.00 0.00 0.00 19.45 17.63 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 -2.86 2.78 0.22 0.00 1.01 -1.26 -4.87 120.40 115.43 3hpa s VAL 104 Ca 0.14 0.52 -0.11 0.00 0.00 0.00 0.00 61.98 62.53 3hpa s VAL 104 Cb -0.07 -3.34 0.25 0.00 0.00 0.00 0.00 36.38 33.23 3hpa s VAL 104 CO 0.17 0.03 1.63 -0.65 0.00 0.00 0.00 175.10 176.29 3hpa h PRO 105 N 7.04 0.05 0.00 2.72 0.11 -2.00 -1.00 132.00 138.92 3hpa h PRO 105 Ca -0.42 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3hpa h PRO 105 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3hpa h PRO 105 CO 0.91 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.73 3hpa n ALA 106 N -3.00 1.56 -0.10 -0.75 0.00 -1.26 -2.46 120.51 114.50 3hpa n ALA 106 Ca 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3hpa n ALA 106 Cb 0.38 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3hpa n ALA 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hpa n ALA 107 N -1.37 2.22 -0.10 0.00 0.00 -0.45 -4.78 120.51 116.02 3hpa n ALA 107 Ca 0.04 -0.49 -0.11 0.00 0.00 0.00 0.00 53.44 52.88 3hpa n ALA 107 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.51 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 0.54 -2.12 0.00 4.20 -1.03 -3.33 115.11 113.36 3hpa h GLN 108 Ca 0.00 -0.17 -0.60 0.00 0.06 0.00 0.00 58.65 57.94 3hpa h GLN 108 Cb 0.09 -0.05 -0.41 0.00 0.30 0.00 0.00 27.48 27.41 3hpa h GLN 108 CO 0.00 0.68 -0.60 0.09 -0.67 0.00 0.00 178.83 178.32 3hpa n ASN 109 N -4.56 4.64 -4.11 1.46 3.02 -1.26 -5.04 115.26 109.40 3hpa n ASN 109 Ca -0.02 -3.70 -0.13 0.00 -0.03 0.00 0.00 54.58 50.70 3hpa n ASN 109 Cb 0.26 -0.56 -0.11 0.00 -0.61 0.00 0.00 39.78 38.76 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 -3.52 0.80 0.49 5.41 0.00 -1.25 -5.10 121.76 118.59 3hpa s ALA 110 Ca 0.49 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.44 3hpa s ALA 110 Cb 0.30 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.49 3hpa s ALA 110 CO -0.15 -0.07 0.73 -1.83 0.00 0.00 0.00 175.76 174.44 3hpa s GLU 111 N -2.37 3.01 0.00 0.00 1.03 -1.26 -4.65 118.70 114.46 3hpa s GLU 111 Ca -0.01 -0.39 0.00 0.00 0.03 0.00 0.00 54.97 54.60 3hpa s GLU 111 Cb -0.05 -2.49 0.00 0.00 -0.80 0.00 0.00 34.13 30.79 3hpa s GLU 111 CO -0.01 -0.39 0.00 -0.11 -1.33 0.00 0.00 175.26 173.42 3hpa n LEU 112 N -2.21 0.00 0.05 1.83 7.94 -1.26 -1.19 117.00 122.16 3hpa n LEU 112 Ca 0.02 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.82 3hpa n LEU 112 Cb 0.58 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 44.48 3hpa n LEU 112 CO 0.49 0.00 0.74 -0.26 -1.11 0.00 0.00 177.39 177.25 3hpa h PHE 113 N 0.00 -0.48 -0.37 1.96 0.04 -1.99 0.38 116.94 116.47 3hpa h PHE 113 Ca 0.00 0.02 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 3hpa h PHE 113 Cb 0.00 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 3hpa h PHE 113 CO 0.00 -0.26 0.11 0.78 -0.60 0.00 0.00 178.31 178.33 3hpa h GLY 114 N -0.29 0.58 0.88 -1.45 0.00 -1.52 -1.05 103.07 100.22 3hpa h GLY 114 Ca 0.06 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.09 3hpa h GLY 114 CO -0.19 0.27 -0.15 -0.25 0.00 0.00 0.00 176.54 176.22 3hpa h TRP 115 N 0.53 -0.40 -0.27 5.60 7.01 -0.57 -2.08 115.95 125.78 3hpa h TRP 115 Ca 0.13 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.10 3hpa h TRP 115 Cb 0.18 0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.35 3hpa h TRP 115 CO 0.01 -0.16 0.11 -0.07 -2.79 0.00 0.00 178.44 175.53 3hpa h LEU 116 N -0.55 0.37 -1.13 0.65 3.38 -0.63 -1.40 115.31 115.99 3hpa h LEU 116 Ca -0.04 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.69 3hpa h LEU 116 Cb 0.41 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 3hpa h LEU 116 CO 0.07 0.43 -0.14 0.71 0.09 0.00 0.00 178.44 179.60 3hpa h THR 117 N 0.28 1.23 -0.07 0.22 1.35 -1.24 0.28 112.91 114.96 3hpa h THR 117 Ca 0.09 -1.01 -0.17 0.00 -0.55 0.00 0.00 66.41 64.77 3hpa h THR 117 Cb 0.17 1.19 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 3hpa h THR 117 CO -0.01 0.33 -0.68 0.78 -0.25 0.00 0.00 175.52 175.69 3hpa h ASN 118 N 0.40 0.34 0.35 5.36 4.21 -1.27 -3.25 115.58 121.72 3hpa h ASN 118 Ca 0.07 -0.22 -0.32 0.00 1.21 0.00 0.00 56.30 57.04 3hpa h ASN 118 Cb 0.50 -0.10 0.00 0.00 -1.12 0.00 0.00 38.32 37.60 3hpa h ASN 118 CO 0.03 0.92 -1.61 -0.07 -1.29 0.00 0.00 177.43 175.41 3hpa h LEU 119 N 0.20 0.50 -0.99 1.61 3.38 -0.83 -3.34 115.31 115.84 3hpa h LEU 119 Ca -0.02 -0.70 0.13 0.00 0.09 0.00 0.00 57.88 57.37 3hpa h LEU 119 Cb 1.23 -0.16 -0.09 0.00 0.09 0.00 0.00 40.66 41.73 3hpa h LEU 119 CO 0.11 1.59 0.62 1.88 0.09 0.00 0.00 178.44 182.72 3hpa h TYR 120 N 0.09 1.12 -0.29 1.13 0.05 -0.56 0.22 116.97 118.74 3hpa h TYR 120 Ca -0.28 0.03 0.08 0.00 0.05 0.00 0.00 58.73 58.61 3hpa h TYR 120 Cb 2.06 -0.35 -0.01 0.00 1.01 0.00 0.00 36.73 39.43 3hpa h TYR 120 CO 0.08 0.43 0.21 0.87 -1.05 0.00 0.00 178.16 178.70 3hpa h LYS 121 N 0.96 0.01 0.01 4.88 1.57 -1.68 -1.69 116.57 120.63 3hpa h LYS 121 Ca 0.50 -0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 59.13 3hpa h LYS 121 Cb 0.52 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.81 3hpa h LYS 121 CO -0.28 0.01 -0.80 0.82 -0.57 0.00 0.00 179.45 178.63 3hpa h ILE 122 N 0.01 1.26 -0.10 1.86 2.04 -0.82 -3.37 117.51 118.39 3hpa h ILE 122 Ca 0.14 -2.27 0.03 0.00 1.00 0.00 0.00 64.86 63.76 3hpa h ILE 122 Cb 0.54 2.71 -0.00 0.00 -0.74 0.00 0.00 36.82 39.33 3hpa h ILE 122 CO -0.00 0.46 0.23 -0.50 0.00 0.00 0.00 178.15 178.34 3hpa h TRP 123 N -0.93 0.00 0.00 1.37 6.55 -0.53 -1.74 115.95 120.67 3hpa h TRP 123 Ca -0.21 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.63 3hpa h TRP 123 Cb 1.24 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.54 3hpa h TRP 123 CO 0.17 0.00 0.00 0.00 -1.05 0.00 0.00 178.44 177.56 3hpa n ALA 124 N -2.12 1.72 0.18 1.49 0.00 -0.67 -1.94 120.51 119.17 3hpa n ALA 124 Ca -0.00 -0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.49 3hpa n ALA 124 Cb 0.32 -1.23 0.20 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.42 0.51 -1.74 0.00 8.25 -0.65 -4.74 115.22 115.42 3hpa n HIS 125 Ca 0.05 -0.29 -0.41 0.00 -0.26 0.00 0.00 57.72 56.81 3hpa n HIS 125 Cb 0.15 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 3hpa n HIS 125 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hpa n LEU 126 N 1.33 4.30 -4.45 2.41 4.32 -0.82 -4.99 117.00 119.10 3hpa n LEU 126 Ca 0.18 1.19 -0.23 0.00 -0.02 0.00 0.00 56.01 57.13 3hpa n LEU 126 Cb 0.56 -1.55 -0.10 0.00 -1.62 0.00 0.00 43.42 40.71 3hpa n LEU 126 CO 0.14 -0.22 -0.44 0.42 -1.22 0.00 0.00 177.39 176.07 3hpa s THR 127 N -1.13 2.19 0.31 -5.08 -4.23 -1.26 -4.23 115.64 102.21 3hpa s THR 127 Ca 0.56 -2.30 0.05 0.00 -1.18 0.00 0.00 61.69 58.82 3hpa s THR 127 Cb -0.51 -2.33 0.30 0.00 1.34 0.00 0.00 72.50 71.31 3hpa s THR 127 CO 0.62 -0.39 1.82 -0.65 -0.54 0.00 0.00 174.62 175.48 3hpa h PRO 128 N 2.28 0.81 -0.23 3.99 0.11 -1.83 0.22 132.00 137.36 3hpa h PRO 128 Ca -0.40 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 65.63 3hpa h PRO 128 Cb 1.25 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 3hpa h PRO 128 CO 0.63 0.54 0.03 1.49 -0.21 0.00 0.00 178.00 180.48 3hpa h GLU 129 N 0.84 0.38 -0.86 1.05 4.81 -1.97 -1.23 114.58 117.60 3hpa h GLU 129 Ca 0.52 -0.11 0.12 0.00 -0.13 0.00 0.00 59.36 59.76 3hpa h GLU 129 Cb 0.71 -0.04 -0.08 0.00 0.63 0.00 0.00 28.75 29.96 3hpa h GLU 129 CO -0.29 0.53 0.48 0.52 -0.73 0.00 0.00 179.01 179.52 3hpa h MET 130 N 0.18 0.72 -0.47 1.92 2.86 -1.59 0.36 114.93 118.92 3hpa h MET 130 Ca 0.07 -0.04 -0.06 0.00 -2.06 0.00 0.00 59.70 57.60 3hpa h MET 130 Cb 0.34 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.81 3hpa h MET 130 CO 0.01 0.48 0.02 0.82 1.06 0.00 0.00 176.91 179.30 3hpa h ILE 131 N 0.74 1.23 0.25 -1.22 1.08 -0.64 -0.72 117.51 118.24 3hpa h ILE 131 Ca 0.44 -0.93 -0.01 0.00 -0.39 0.00 0.00 64.86 63.96 3hpa h ILE 131 Cb 0.51 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.11 3hpa h ILE 131 CO -0.30 0.33 -0.12 -0.08 -0.69 0.00 0.00 178.15 177.29 3hpa h GLU 132 N 0.71 -0.32 -0.61 2.37 4.81 0.43 -2.92 114.58 119.05 3hpa h GLU 132 Ca 0.14 0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.37 3hpa h GLU 132 Cb 0.40 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3hpa h GLU 132 CO 0.01 0.04 0.28 0.28 -0.73 0.00 0.00 179.01 178.89 3hpa h VAL 133 N -0.78 1.22 -0.17 0.32 2.07 -0.38 -2.44 116.25 116.08 3hpa h VAL 133 Ca -0.03 -0.64 -0.05 0.00 0.82 0.00 0.00 66.70 66.80 3hpa h VAL 133 Cb 0.51 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 3hpa h VAL 133 CO 0.06 0.26 -0.10 0.77 0.02 0.00 0.00 177.57 178.57 3hpa h SER 134 N 0.84 0.25 -0.43 0.57 4.64 -1.24 -0.37 113.55 117.81 3hpa h SER 134 Ca 0.21 -0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 61.34 3hpa h SER 134 Cb 0.15 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 62.16 3hpa h SER 134 CO -0.02 0.39 -0.26 0.74 -0.87 0.00 0.00 176.83 176.81 3hpa h THR 135 N 0.26 1.27 -0.39 2.95 2.02 -1.27 -0.82 112.91 116.93 3hpa h THR 135 Ca 0.05 -1.42 -0.06 0.00 0.77 0.00 0.00 66.41 65.75 3hpa h THR 135 Cb 0.35 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 67.94 3hpa h THR 135 CO 0.02 0.49 0.00 -0.07 0.37 0.00 0.00 175.52 176.32 3hpa h LEU 136 N 0.81 0.67 -0.52 2.58 3.38 -0.86 -1.99 115.31 119.37 3hpa h LEU 136 Ca 0.10 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.73 3hpa h LEU 136 Cb 0.83 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.38 3hpa h LEU 136 CO 0.07 0.81 0.21 0.74 0.09 0.00 0.00 178.44 180.37 3hpa h THR 137 N 0.51 1.22 -0.07 0.22 2.02 -1.00 -2.13 112.91 113.67 3hpa h THR 137 Ca 0.11 -0.67 -0.00 0.00 0.77 0.00 0.00 66.41 66.62 3hpa h THR 137 Cb 0.47 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 67.55 3hpa h THR 137 CO 0.02 0.26 0.03 0.00 0.37 0.00 0.00 175.52 176.20 3hpa h ALA 138 N 1.06 0.09 -0.07 6.16 0.00 -1.08 -2.59 119.26 122.83 3hpa h ALA 138 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3hpa h ALA 138 Cb 0.20 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3hpa h ALA 138 CO -0.01 -0.35 -0.21 0.52 0.00 0.00 0.00 179.25 179.20 3hpa h MET 139 N -0.01 0.11 -0.02 0.00 2.86 -1.32 -2.37 114.93 114.19 3hpa h MET 139 Ca 0.02 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3hpa h MET 139 Cb 0.12 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 31.77 3hpa h MET 139 CO -0.00 0.32 0.00 0.00 1.06 0.00 0.00 176.91 178.29 3hpa h ALA 140 N 1.69 0.02 -0.66 6.32 0.00 -1.19 0.48 119.26 125.92 3hpa h ALA 140 Ca 0.02 -0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.87 3hpa h ALA 140 Cb 0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3hpa h ALA 140 CO 0.03 -0.35 0.34 1.49 0.00 0.00 0.00 179.25 180.77 3hpa h GLU 141 N -0.23 0.60 0.17 0.00 4.81 -1.27 0.14 114.58 118.81 3hpa h GLU 141 Ca 0.00 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 3hpa h GLU 141 Cb 0.26 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.51 3hpa h GLU 141 CO 0.00 0.40 -0.08 -0.07 -0.73 0.00 0.00 179.01 178.53 3hpa h LEU 142 N 0.62 -0.20 -0.91 1.64 3.38 -1.17 -2.68 115.31 115.99 3hpa h LEU 142 Ca 0.31 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.25 3hpa h LEU 142 Cb 0.25 0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.98 3hpa h LEU 142 CO -0.22 0.00 0.56 -0.07 0.09 0.00 0.00 178.44 178.81 3hpa h LEU 143 N -0.39 0.84 0.00 1.67 3.38 0.41 -0.30 115.31 120.91 3hpa h LEU 143 Ca -0.02 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3hpa h LEU 143 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3hpa h LEU 143 CO 0.04 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.06 3hpa n GLN 144 N -4.64 0.02 -0.27 1.13 6.02 0.46 -2.58 117.38 117.51 3hpa n GLN 144 Ca 0.15 0.24 0.07 0.00 -0.01 0.00 0.00 57.00 57.45 3hpa n GLN 144 Cb 0.26 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.21 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 -1.48 3.19 0.00 1.08 3.41 -0.20 -2.12 113.62 117.49 3hpa n SER 145 Ca 0.04 -2.63 0.00 0.00 -0.26 0.00 0.00 58.87 56.02 3hpa n SER 145 Cb 0.17 -0.38 0.00 0.00 -0.26 0.00 0.00 64.21 63.74 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 -0.35 0.58 3.67 5.00 0.00 -1.07 -3.57 105.19 109.46 3hpa n GLY 146 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 4.56 1.02 -4.96 0.00 -2.24 -0.27 -3.61 114.28 108.78 3hpa n THR 148 Ca 0.01 -0.61 -0.27 0.00 -2.27 0.00 0.00 64.05 60.91 3hpa n THR 148 Cb 0.50 -0.65 -0.16 0.00 -2.10 0.00 0.00 70.33 67.91 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 -2.36 1.60 -0.08 4.28 2.01 -1.15 -2.07 115.64 117.87 3hpa s THR 149 Ca -0.09 -0.82 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 3hpa s THR 149 Cb 0.05 -1.36 0.03 0.00 0.01 0.00 0.00 72.50 71.23 3hpa s THR 149 CO 0.59 0.45 0.34 -0.55 -0.69 0.00 0.00 174.62 174.77 3hpa s SER 150 N -0.11 -0.30 0.44 3.53 0.15 -0.76 -0.94 113.70 115.71 3hpa s SER 150 Ca -0.01 0.45 0.08 0.00 0.70 0.00 0.00 55.95 57.16 3hpa s SER 150 Cb -0.11 0.55 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 3hpa s SER 150 CO 0.02 -0.28 0.53 -0.94 1.20 0.00 0.00 173.24 173.78 3hpa s SER 151 N -0.50 5.36 0.14 5.45 1.04 -0.68 -2.25 113.70 122.25 3hpa s SER 151 Ca -0.06 -0.61 -0.04 0.00 0.48 0.00 0.00 55.95 55.72 3hpa s SER 151 Cb -0.04 -0.46 -0.03 0.00 0.10 0.00 0.00 66.02 65.59 3hpa s SER 151 CO 0.02 -0.82 0.14 -0.62 0.98 0.00 0.00 173.24 172.94 3hpa s ASP 152 N -4.32 0.21 -0.40 7.02 2.15 -1.07 -4.28 116.67 115.99 3hpa s ASP 152 Ca 0.53 -1.06 0.10 0.00 0.43 0.00 0.00 52.55 52.54 3hpa s ASP 152 Cb -0.07 0.34 0.30 0.00 -0.30 0.00 0.00 42.92 43.19 3hpa s ASP 152 CO 0.32 -0.78 0.65 1.57 -0.17 0.00 0.00 175.17 176.75 3hpa n HIS 153 N -0.13 0.27 -2.45 -5.34 -0.00 0.65 -3.10 115.22 105.12 3hpa n HIS 153 Ca -0.07 -3.73 -0.43 0.00 -0.00 0.00 0.00 57.72 53.50 3hpa n HIS 153 Cb 0.63 -0.40 -0.02 0.00 -0.00 0.00 0.00 29.99 30.20 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 -1.94 3.57 -0.06 0.27 2.96 -1.26 -4.72 118.68 117.51 3hpa s LEU 154 Ca 0.38 0.60 0.11 0.00 -0.22 0.00 0.00 54.13 55.01 3hpa s LEU 154 Cb 0.26 -3.47 0.33 0.00 0.50 0.00 0.00 46.19 43.81 3hpa s LEU 154 CO -0.09 -1.41 1.27 0.00 -1.32 0.00 0.00 176.35 174.79 3hpa n TYR 155 N 8.58 0.52 -4.12 5.38 0.18 -1.26 -0.90 117.16 125.53 3hpa n TYR 155 Ca 0.14 -0.63 -0.15 0.00 1.88 0.00 0.00 57.90 59.14 3hpa n TYR 155 Cb 0.49 -0.12 -0.13 0.00 -0.38 0.00 0.00 39.34 39.20 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 -1.61 0.55 -0.39 -3.48 -4.36 -1.26 -4.13 121.20 106.52 3hpa s ILE 156 Ca 0.26 -0.77 0.09 0.00 -0.26 0.00 0.00 60.65 59.97 3hpa s ILE 156 Cb 0.18 -0.56 0.29 0.00 1.25 0.00 0.00 42.46 43.62 3hpa s ILE 156 CO 0.11 -0.17 0.66 -1.22 0.24 0.00 0.00 174.94 174.56 3hpa n TYR 157 N 2.03 -0.51 -1.66 1.37 4.01 -1.26 -4.98 117.16 116.16 3hpa n TYR 157 Ca -0.19 -3.45 -0.32 0.00 -0.16 0.00 0.00 57.90 53.78 3hpa n TYR 157 Cb 0.56 -0.14 0.05 0.00 -0.31 0.00 0.00 39.34 39.50 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 -1.44 2.86 -1.39 -0.72 0.04 -1.26 -3.98 135.00 129.10 3hpa s PRO 158 Ca 0.36 1.15 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 3hpa s PRO 158 Cb 0.25 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.83 3hpa s PRO 158 CO -0.11 -1.17 0.35 0.09 0.04 0.00 0.00 177.00 176.20 3hpa n ASN 159 N -2.78 -1.29 0.00 6.66 4.13 -1.26 -1.35 115.26 119.36 3hpa n ASN 159 Ca 0.09 -1.21 0.00 0.00 1.68 0.00 0.00 54.58 55.13 3hpa n ASN 159 Cb 0.53 -2.04 0.00 0.00 -1.54 0.00 0.00 39.78 36.73 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 -2.25 0.81 3.63 7.41 0.00 -1.26 -4.46 105.19 109.07 3hpa n GLY 160 Ca -0.24 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.40 3hpa n GLY 160 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hpa n SER 161 N -0.01 1.04 -4.05 1.61 7.64 -0.46 -4.86 113.62 114.53 3hpa n SER 161 Ca 0.00 0.85 -0.08 0.00 1.01 0.00 0.00 58.87 60.65 3hpa n SER 161 Cb 0.00 -1.41 -0.09 0.00 -1.01 0.00 0.00 64.21 61.71 3hpa n SER 161 CO 0.00 0.00 0.00 -0.13 -3.01 0.00 0.00 175.04 171.90 3hpa s ARG 162 N -2.69 0.81 0.32 1.43 0.52 -1.26 -4.74 118.95 113.33 3hpa s ARG 162 Ca 0.74 -1.23 0.03 0.00 -0.52 0.00 0.00 55.73 54.75 3hpa s ARG 162 Cb -0.43 0.26 0.54 0.00 0.52 0.00 0.00 34.95 35.84 3hpa s ARG 162 CO 0.48 -0.22 1.84 1.25 0.02 0.00 0.00 175.30 178.67 3hpa h LEU 163 N 2.92 0.53 -1.08 2.53 6.46 -1.96 -2.27 115.31 122.45 3hpa h LEU 163 Ca -0.34 -0.11 0.22 0.00 -0.12 0.00 0.00 57.88 57.53 3hpa h LEU 163 Cb 1.18 -0.14 -0.11 0.00 -0.73 0.00 0.00 40.66 40.86 3hpa h LEU 163 CO 0.60 0.62 0.61 0.44 -0.62 0.00 0.00 178.44 180.10 3hpa h ASP 164 N 0.53 0.68 -0.34 1.25 5.19 -1.98 0.50 116.42 122.26 3hpa h ASP 164 Ca 0.11 0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.62 3hpa h ASP 164 Cb 0.39 -0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.87 3hpa h ASP 164 CO 0.02 0.18 0.19 0.44 -3.12 0.00 0.00 179.24 176.95 3hpa h ASP 165 N 0.63 0.44 0.17 6.45 3.32 -1.77 -0.74 116.42 124.93 3hpa h ASP 165 Ca 0.60 -0.03 -0.30 0.00 0.02 0.00 0.00 57.03 57.32 3hpa h ASP 165 Cb 1.12 -0.11 0.03 0.00 0.22 0.00 0.00 39.33 40.59 3hpa h ASP 165 CO -0.40 0.37 -1.28 -1.28 -1.72 0.00 0.00 179.24 174.93 3hpa h SER 166 N 0.51 0.83 -0.31 6.45 0.87 -0.17 -3.26 113.55 118.48 3hpa h SER 166 Ca 0.13 -0.87 -0.06 0.00 -1.23 0.00 0.00 61.79 59.76 3hpa h SER 166 Cb 0.03 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.71 3hpa h SER 166 CO -0.02 1.63 -0.02 0.40 -0.53 0.00 0.00 176.83 178.29 3hpa h ILE 167 N 0.17 1.23 -0.12 2.23 2.04 -0.57 -2.79 117.51 119.69 3hpa h ILE 167 Ca -0.21 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 3hpa h ILE 167 Cb 1.97 0.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 3hpa h ILE 167 CO 0.24 0.32 0.03 1.23 0.00 0.00 0.00 178.15 179.97 3hpa h GLY 168 N 0.93 0.22 0.73 5.37 0.00 -1.24 -2.15 103.07 106.93 3hpa h GLY 168 Ca 0.13 -0.14 0.06 0.00 0.00 0.00 0.00 47.33 47.38 3hpa h GLY 168 CO 0.02 0.13 0.57 0.00 0.00 0.00 0.00 176.54 177.26 3hpa h ALA 169 N 0.82 1.25 -0.11 3.60 0.00 -1.58 -1.08 119.26 122.16 3hpa h ALA 169 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3hpa h ALA 169 Cb 0.26 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3hpa h ALA 169 CO 0.00 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.41 3hpa h ALA 170 N 1.42 1.49 -0.05 0.00 0.00 -1.33 -0.65 119.26 120.14 3hpa h ALA 170 Ca 0.39 -0.23 -0.17 0.00 0.00 0.00 0.00 54.91 54.90 3hpa h ALA 170 Cb 0.16 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3hpa h ALA 170 CO -0.17 0.37 -0.73 1.96 0.00 0.00 0.00 179.25 180.67 3hpa h GLN 171 N 0.17 0.27 -0.06 0.00 4.20 -0.58 -2.41 115.11 116.71 3hpa h GLN 171 Ca 0.03 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.50 3hpa h GLN 171 Cb 0.43 0.05 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 3hpa h GLN 171 CO 0.03 0.89 -0.01 -0.09 -0.67 0.00 0.00 178.83 178.98 3hpa h ARG 172 N 0.18 0.11 0.00 1.46 2.43 -0.40 -3.25 114.38 114.91 3hpa h ARG 172 Ca -0.03 -0.04 -0.04 0.00 -0.81 0.00 0.00 59.98 59.07 3hpa h ARG 172 Cb 1.30 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.84 3hpa h ARG 172 CO 0.12 0.44 -0.17 0.97 -1.51 0.00 0.00 179.97 179.82 3hpa h ILE 173 N -0.23 0.33 0.00 1.20 2.10 -1.19 -3.46 117.51 116.27 3hpa h ILE 173 Ca 0.01 -1.22 0.00 0.00 1.08 0.00 0.00 64.86 64.74 3hpa h ILE 173 Cb 0.40 1.95 0.00 0.00 -1.09 0.00 0.00 36.82 38.08 3hpa h ILE 173 CO 0.01 0.17 0.00 0.61 -1.08 0.00 0.00 178.15 177.85 3hpa n GLY 174 N 0.70 0.81 3.88 8.18 0.00 -0.91 -4.75 105.19 113.09 3hpa n GLY 174 Ca 0.02 -0.61 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -2.04 3.43 -0.00 1.61 0.00 -1.21 -4.79 119.30 116.30 3hpa s MET 175 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 55.69 55.24 3hpa s MET 175 Cb 0.00 -3.18 -0.07 0.00 0.00 0.00 0.00 34.83 31.59 3hpa s MET 175 CO 0.00 0.77 1.63 0.50 0.00 0.00 0.00 175.02 177.92 3hpa s ARG 176 N -1.06 4.20 -0.04 4.11 3.52 -0.88 -4.83 118.95 123.97 3hpa s ARG 176 Ca 0.15 2.22 0.05 0.00 -0.13 0.00 0.00 55.73 58.02 3hpa s ARG 176 Cb -0.12 -3.80 -0.02 0.00 -1.56 0.00 0.00 34.95 29.44 3hpa s ARG 176 CO 0.04 -0.77 -0.17 0.12 -0.81 0.00 0.00 175.30 173.71 3hpa s PHE 177 N 3.35 2.61 -0.59 5.12 5.36 0.52 -1.84 117.98 132.52 3hpa s PHE 177 Ca 0.73 -0.22 0.04 0.00 -0.96 0.00 0.00 56.93 56.52 3hpa s PHE 177 Cb -0.36 -1.59 0.16 0.00 -0.34 0.00 0.00 43.02 40.89 3hpa s PHE 177 CO 0.30 0.14 0.40 -1.01 -1.46 0.00 0.00 175.22 173.59 3hpa s HIS 178 N -0.71 2.86 0.00 10.12 3.76 -0.96 -1.61 115.29 128.76 3hpa s HIS 178 Ca 0.11 -3.01 -0.30 0.00 -0.15 0.00 0.00 55.06 51.71 3hpa s HIS 178 Cb -0.10 -2.30 -0.04 0.00 1.11 0.00 0.00 32.58 31.24 3hpa s HIS 178 CO 0.00 -0.66 1.16 0.00 -0.85 0.00 0.00 174.74 174.40 3hpa s ALA 179 N -0.77 3.39 -0.08 -1.40 0.00 -0.19 -2.59 121.76 120.13 3hpa s ALA 179 Ca 0.24 0.69 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 3hpa s ALA 179 Cb -0.09 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3hpa s ALA 179 CO -0.12 -0.54 0.11 -1.12 0.00 0.00 0.00 175.76 174.09 3hpa s SER 180 N 1.22 6.02 -0.61 0.00 0.01 -1.18 -1.19 113.70 117.97 3hpa s SER 180 Ca 0.56 0.33 -0.18 0.00 1.31 0.00 0.00 55.95 57.97 3hpa s SER 180 Cb -0.26 -1.86 0.12 0.00 0.21 0.00 0.00 66.02 64.24 3hpa s SER 180 CO 0.26 0.36 0.68 -0.60 0.41 0.00 0.00 173.24 174.34 3hpa s ARG 181 N -1.26 3.10 0.55 12.44 3.00 -0.32 -4.19 118.95 132.27 3hpa s ARG 181 Ca 0.18 -1.54 -0.17 0.00 -1.00 0.00 0.00 55.73 53.21 3hpa s ARG 181 Cb -0.12 -4.32 -0.06 0.00 0.00 0.00 0.00 34.95 30.45 3hpa s ARG 181 CO 0.08 -1.48 1.02 0.20 0.00 0.00 0.00 175.30 175.12 3hpa s GLY 182 N 3.51 2.13 -0.07 8.12 0.00 -0.07 -2.21 107.32 118.73 3hpa s GLY 182 Ca 0.11 0.32 -0.13 0.00 0.00 0.00 0.00 44.72 45.01 3hpa s GLY 182 CO 0.03 0.62 0.32 0.00 0.00 0.00 0.00 173.10 174.08 3hpa s ALA 183 N -2.48 -0.81 -0.01 3.20 0.00 -1.09 -4.55 121.76 116.02 3hpa s ALA 183 Ca 0.62 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 53.21 3hpa s ALA 183 Cb -0.13 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.75 3hpa s ALA 183 CO 0.33 -0.21 0.02 -1.64 0.00 0.00 0.00 175.76 174.26 3hpa s MET 184 N -0.57 0.05 0.45 0.00 -1.94 -1.26 -0.75 119.30 115.27 3hpa s MET 184 Ca -0.07 -0.00 0.03 0.00 -1.71 0.00 0.00 55.69 53.94 3hpa s MET 184 Cb -0.04 0.02 -0.02 0.00 2.01 0.00 0.00 34.83 36.80 3hpa s MET 184 CO 0.02 -0.01 0.08 -1.12 -0.01 0.00 0.00 175.02 173.99 3hpa s SER 185 N -0.08 3.33 0.00 3.03 0.01 -0.20 -5.01 113.70 114.78 3hpa s SER 185 Ca -0.01 -1.68 0.00 0.00 1.31 0.00 0.00 55.95 55.57 3hpa s SER 185 Cb -0.01 0.53 0.00 0.00 0.21 0.00 0.00 66.02 66.75 3hpa s SER 185 CO -0.00 -0.91 0.00 -0.62 0.41 0.00 0.00 173.24 172.12 3hpa n GLU 202 N -1.05 0.00 0.30 12.44 1.02 -1.26 -4.62 120.64 127.46 3hpa n GLU 202 Ca -0.11 0.00 0.20 0.00 -0.02 0.00 0.00 57.16 57.23 3hpa n GLU 202 Cb 0.66 0.00 1.07 0.00 -0.02 0.00 0.00 31.44 33.15 3hpa n GLU 202 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3hpa h PRO 203 N 0.00 0.00 -0.23 3.49 0.11 -2.03 0.22 132.00 133.56 3hpa h PRO 203 Ca 0.00 0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.91 3hpa h PRO 203 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3hpa h PRO 203 CO 0.00 0.00 -0.64 -0.44 -0.21 0.00 0.00 178.00 176.71 3hpa h ASP 204 N 0.00 0.96 0.10 -2.05 3.32 -2.04 -2.37 116.42 114.34 3hpa h ASP 204 Ca 0.00 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.48 3hpa h ASP 204 Cb 0.02 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.28 3hpa h ASP 204 CO 0.00 1.37 -0.08 0.40 -1.72 0.00 0.00 179.24 179.21 3hpa h ILE 205 N 0.61 0.82 -0.42 0.35 1.08 -1.01 -1.24 117.51 117.70 3hpa h ILE 205 Ca -0.01 0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 3hpa h ILE 205 Cb 1.26 0.82 -0.03 0.00 -3.07 0.00 0.00 36.82 35.81 3hpa h ILE 205 CO 0.14 0.00 0.24 -0.07 -0.69 0.00 0.00 178.15 177.76 3hpa h LEU 206 N -0.18 0.37 0.36 1.44 3.38 -1.41 0.11 115.31 119.38 3hpa h LEU 206 Ca -0.00 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3hpa h LEU 206 Cb 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3hpa h LEU 206 CO -0.01 0.27 -0.17 0.03 0.09 0.00 0.00 178.44 178.64 3hpa h ARG 207 N 0.48 -0.46 -0.85 1.13 3.08 -1.30 -1.75 114.38 114.71 3hpa h ARG 207 Ca 0.17 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.33 3hpa h ARG 207 Cb 0.03 0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.12 3hpa h ARG 207 CO -0.09 -0.25 0.51 0.22 -1.07 0.00 0.00 179.97 179.28 3hpa h ASP 208 N -0.57 0.76 -0.63 7.04 -0.00 -1.09 -0.27 116.42 121.66 3hpa h ASP 208 Ca -0.05 0.03 -0.00 0.00 -0.00 0.00 0.00 57.03 57.01 3hpa h ASP 208 Cb 0.42 -0.12 -0.03 0.00 -0.00 0.00 0.00 39.33 39.60 3hpa h ASP 208 CO 0.08 0.46 0.38 0.74 -0.00 0.00 0.00 179.24 180.90 3hpa h THR 209 N 0.89 1.19 -0.54 2.25 2.02 -0.62 -1.71 112.91 116.38 3hpa h THR 209 Ca 0.39 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 67.06 3hpa h THR 209 Cb 0.27 0.32 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 3hpa h THR 209 CO -0.21 0.19 -0.05 -0.61 0.37 0.00 0.00 175.52 175.21 3hpa h GLN 210 N 0.86 0.98 -0.04 6.66 4.15 -0.41 -2.16 115.11 125.16 3hpa h GLN 210 Ca 0.23 -0.34 0.02 0.00 0.77 0.00 0.00 58.65 59.33 3hpa h GLN 210 Cb -0.02 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 3hpa h GLN 210 CO -0.04 1.01 -0.06 -0.09 -1.93 0.00 0.00 178.83 177.72 3hpa h ARG 211 N 0.86 -0.09 -0.18 1.69 2.43 -0.75 -1.54 114.38 116.81 3hpa h ARG 211 Ca 0.15 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.35 3hpa h ARG 211 Cb 0.60 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 3hpa h ARG 211 CO 0.04 -0.06 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.35 3hpa h LEU 212 N -0.09 -0.10 0.06 3.80 3.38 -1.22 0.59 115.31 121.73 3hpa h LEU 212 Ca 0.04 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.08 3hpa h LEU 212 Cb 0.15 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 3hpa h LEU 212 CO -0.09 -0.03 -0.25 0.40 0.09 0.00 0.00 178.44 178.56 3hpa h ILE 213 N 0.04 0.44 -0.43 1.22 2.04 -1.19 0.37 117.51 119.98 3hpa h ILE 213 Ca 0.08 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.92 3hpa h ILE 213 Cb 0.11 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.61 3hpa h ILE 213 CO -0.15 0.00 0.16 -0.33 0.00 0.00 0.00 178.15 177.83 3hpa h GLU 214 N -0.42 0.62 0.12 2.37 5.08 -1.08 -0.99 114.58 120.28 3hpa h GLU 214 Ca 0.04 -0.09 -0.17 0.00 -1.00 0.00 0.00 59.36 58.15 3hpa h GLU 214 Cb 0.48 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.63 3hpa h GLU 214 CO -0.18 0.52 -0.73 1.15 -1.00 0.00 0.00 179.01 178.77 3hpa h THR 215 N 0.62 1.54 0.00 1.13 2.02 -0.39 -3.43 112.91 114.40 3hpa h THR 215 Ca 0.15 -2.51 -0.09 0.00 0.77 0.00 0.00 66.41 64.73 3hpa h THR 215 Cb 0.14 3.21 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 3hpa h THR 215 CO -0.01 0.71 -1.52 -1.22 0.37 0.00 0.00 175.52 173.84 3hpa n TYR 216 N -4.18 0.00 -1.81 3.16 4.01 0.12 -5.01 117.16 113.45 3hpa n TYR 216 Ca -0.13 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.19 3hpa n TYR 216 Cb 0.79 -0.34 -0.03 0.00 -0.31 0.00 0.00 39.34 39.45 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 -2.40 1.74 -0.29 -0.72 2.46 -0.38 -4.58 115.29 111.13 3hpa s HIS 217 Ca -0.04 -0.11 -0.01 0.00 0.47 0.00 0.00 55.06 55.37 3hpa s HIS 217 Cb 0.04 -4.10 0.05 0.00 -0.13 0.00 0.00 32.58 28.44 3hpa s HIS 217 CO 0.37 -4.74 -0.02 0.34 -2.47 0.00 0.00 174.74 168.22 3hpa s ASP 218 N 3.64 4.76 0.00 9.88 2.15 -0.91 -4.92 116.67 131.27 3hpa s ASP 218 Ca 0.81 -1.21 0.29 0.00 0.43 0.00 0.00 52.55 52.87 3hpa s ASP 218 Cb -0.40 -1.69 1.22 0.00 -0.30 0.00 0.00 42.92 41.75 3hpa s ASP 218 CO 0.36 -0.23 1.85 -1.84 -0.17 0.00 0.00 175.17 175.14 3hpa n GLU 219 N 4.62 0.87 -2.36 4.34 0.28 -1.26 -4.72 120.64 122.41 3hpa n GLU 219 Ca -0.14 -0.34 -0.36 0.00 -0.16 0.00 0.00 57.16 56.16 3hpa n GLU 219 Cb 0.44 -1.49 -0.02 0.00 1.43 0.00 0.00 31.44 31.80 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 -2.36 2.71 0.44 -1.84 0.00 -1.26 -4.96 107.32 100.06 3hpa s GLY 220 Ca 0.32 0.82 -0.23 0.00 0.00 0.00 0.00 44.72 45.63 3hpa s GLY 220 CO 0.45 1.24 0.76 -2.13 0.00 0.00 0.00 173.10 173.42 3hpa n ARG 221 N -0.58 0.89 -1.39 2.90 3.00 -1.26 -1.71 116.66 118.51 3hpa n ARG 221 Ca 0.08 0.33 -0.13 0.00 -0.00 0.00 0.00 57.85 58.12 3hpa n ARG 221 Cb 0.49 -1.78 -0.06 0.00 0.00 0.00 0.00 32.46 31.11 3hpa n ARG 221 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.63 178.29 3hpa n TYR 222 N -0.84 0.00 -1.75 -0.14 4.01 -1.26 -4.94 117.16 112.24 3hpa n TYR 222 Ca 0.11 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.43 3hpa n TYR 222 Cb 0.40 -2.52 -0.01 0.00 -0.31 0.00 0.00 39.34 36.90 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 1.25 2.53 0.82 -0.72 0.00 -0.69 -4.89 120.51 118.81 3hpa n ALA 223 Ca -0.13 0.37 0.11 0.00 0.00 0.00 0.00 53.44 53.79 3hpa n ALA 223 Cb 0.48 -2.46 0.10 0.00 0.00 0.00 0.00 19.45 17.57 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 2.06 0.12 -3.80 0.00 2.81 -1.26 -4.82 117.12 112.22 3hpa n MET 224 Ca 0.08 0.01 -0.13 0.00 -1.81 0.00 0.00 57.70 55.84 3hpa n MET 224 Cb 0.37 -1.55 -0.15 0.00 -0.71 0.00 0.00 33.22 31.19 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 -3.41 1.33 0.02 4.03 0.20 -1.25 -0.36 118.68 119.25 3hpa s LEU 225 Ca 0.08 0.11 -0.12 0.00 0.69 0.00 0.00 54.13 54.89 3hpa s LEU 225 Cb 0.16 0.11 0.01 0.00 -0.43 0.00 0.00 46.19 46.04 3hpa s LEU 225 CO 0.76 -0.08 0.25 -0.13 -0.29 0.00 0.00 176.35 176.86 3hpa s ARG 226 N 0.64 0.69 0.12 1.98 0.52 -0.63 -2.14 118.95 120.13 3hpa s ARG 226 Ca -0.05 -0.43 0.07 0.00 -0.52 0.00 0.00 55.73 54.79 3hpa s ARG 226 Cb -0.07 0.29 -0.04 0.00 0.52 0.00 0.00 34.95 35.65 3hpa s ARG 226 CO -0.02 -0.20 -0.08 0.08 0.02 0.00 0.00 175.30 175.10 3hpa s VAL 227 N -2.02 3.46 0.03 3.52 1.01 -1.26 -1.02 120.40 124.11 3hpa s VAL 227 Ca -0.09 -1.30 0.01 0.00 0.00 0.00 0.00 61.98 60.60 3hpa s VAL 227 Cb -0.03 -2.65 -0.02 0.00 0.00 0.00 0.00 36.38 33.68 3hpa s VAL 227 CO -0.00 0.06 -0.05 0.54 0.00 0.00 0.00 175.10 175.65 3hpa s VAL 228 N -1.33 0.26 -0.25 2.92 0.11 -0.33 -4.19 120.40 117.59 3hpa s VAL 228 Ca 0.23 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 58.21 3hpa s VAL 228 Cb -0.11 -0.37 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 3hpa s VAL 228 CO 0.15 -0.42 0.45 -0.69 -3.33 0.00 0.00 175.10 171.26 3hpa s VAL 229 N -1.33 5.13 -0.44 2.04 1.01 0.39 -1.17 120.40 126.03 3hpa s VAL 229 Ca -0.13 0.75 0.05 0.00 0.00 0.00 0.00 61.98 62.65 3hpa s VAL 229 Cb -0.09 -3.77 0.17 0.00 0.00 0.00 0.00 36.38 32.69 3hpa s VAL 229 CO -0.00 0.15 0.45 0.00 0.00 0.00 0.00 175.10 175.69 3hpa s ALA 230 N 1.99 0.38 0.35 5.51 0.00 -0.94 -1.53 121.76 127.53 3hpa s ALA 230 Ca 0.19 -1.85 -0.28 0.00 0.00 0.00 0.00 51.96 50.01 3hpa s ALA 230 Cb -0.15 -1.91 -0.10 0.00 0.00 0.00 0.00 23.12 20.95 3hpa s ALA 230 CO 0.09 -2.05 1.33 -1.25 0.00 0.00 0.00 175.76 173.88 3hpa s PRO 231 N 0.33 4.28 0.21 0.00 0.04 -1.25 -2.68 135.00 135.92 3hpa s PRO 231 Ca 0.32 2.26 -0.21 0.00 0.04 0.00 0.00 61.00 63.41 3hpa s PRO 231 Cb 0.02 -3.02 0.16 0.00 0.04 0.00 0.00 34.50 31.70 3hpa s PRO 231 CO -0.15 -0.27 1.55 0.00 0.04 0.00 0.00 177.00 178.17 3hpa s SER 233 N -5.37 -0.40 0.46 0.00 1.04 -1.26 -1.70 113.70 106.48 3hpa s SER 233 Ca -0.13 -0.08 0.21 0.00 0.48 0.00 0.00 55.95 56.42 3hpa s SER 233 Cb 0.18 0.48 1.20 0.00 0.10 0.00 0.00 66.02 67.97 3hpa s SER 233 CO 0.69 -0.79 1.92 -0.65 0.98 0.00 0.00 173.24 175.39 3hpa h PRO 234 N 2.00 0.25 0.00 4.02 0.11 -1.87 0.54 132.00 137.05 3hpa h PRO 234 Ca -0.26 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3hpa h PRO 234 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3hpa h PRO 234 CO 0.32 0.17 0.00 0.74 -0.21 0.00 0.00 178.00 179.01 3hpa h PHE 235 N 0.26 0.00 0.00 0.65 0.04 -1.95 -3.30 116.94 112.64 3hpa h PHE 235 Ca 0.37 0.00 -0.14 0.00 2.80 0.00 0.00 57.97 61.00 3hpa h PHE 235 Cb 1.08 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 39.21 3hpa h PHE 235 CO -0.00 0.00 -0.70 1.03 -0.60 0.00 0.00 178.31 178.04 3hpa h SER 236 N 0.00 0.00 -4.83 2.17 0.87 -0.28 -3.48 113.55 108.00 3hpa h SER 236 Ca 0.00 0.00 -0.29 0.00 -1.23 0.00 0.00 61.79 60.27 3hpa h SER 236 Cb 0.78 0.00 -0.15 0.00 -0.44 0.00 0.00 62.40 62.59 3hpa h SER 236 CO 0.00 0.67 -0.63 0.68 -0.53 0.00 0.00 176.83 177.02 3hpa s VAL 237 N -2.87 0.42 0.67 2.23 -7.23 -1.15 -1.03 120.40 111.43 3hpa s VAL 237 Ca 0.03 -1.98 -0.15 0.00 -1.81 0.00 0.00 61.98 58.06 3hpa s VAL 237 Cb 0.08 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.63 3hpa s VAL 237 CO 0.77 -0.18 1.12 -0.94 -0.31 0.00 0.00 175.10 175.56 3hpa s SER 238 N -3.21 4.99 0.37 4.85 1.04 -1.26 -4.86 113.70 115.61 3hpa s SER 238 Ca 0.33 2.05 0.27 0.00 0.48 0.00 0.00 55.95 59.08 3hpa s SER 238 Cb 0.07 -2.56 1.20 0.00 0.10 0.00 0.00 66.02 64.84 3hpa s SER 238 CO 0.09 -1.71 1.81 0.08 0.98 0.00 0.00 173.24 174.49 3hpa h ARG 239 N 0.01 0.00 -0.16 4.02 0.11 -1.99 -1.62 114.38 114.75 3hpa h ARG 239 Ca -0.47 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 59.54 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 0.53 0.00 -0.20 -0.44 0.10 0.00 0.00 179.97 179.97 3hpa h ASP 240 N 0.00 0.45 -0.51 0.08 3.45 -1.99 -1.62 116.42 116.27 3hpa h ASP 240 Ca 0.00 -0.50 -0.04 0.00 0.43 0.00 0.00 57.03 56.92 3hpa h ASP 240 Cb 0.32 -0.13 -0.03 0.00 -0.56 0.00 0.00 39.33 38.93 3hpa h ASP 240 CO 0.00 0.86 0.20 0.25 -1.57 0.00 0.00 179.24 178.98 3hpa h LEU 241 N 0.04 0.76 -1.03 1.55 7.12 -1.68 0.02 115.31 122.09 3hpa h LEU 241 Ca 0.02 -0.11 -0.02 0.00 0.13 0.00 0.00 57.88 57.90 3hpa h LEU 241 Cb 0.75 -0.20 -0.04 0.00 -0.53 0.00 0.00 40.66 40.65 3hpa h LEU 241 CO 0.05 0.70 0.37 0.24 -0.13 0.00 0.00 178.44 179.67 3hpa h MET 242 N 0.81 1.06 0.32 1.25 2.86 -1.18 -0.21 114.93 119.84 3hpa h MET 242 Ca 0.19 -0.14 -0.02 0.00 -2.06 0.00 0.00 59.70 57.67 3hpa h MET 242 Cb 0.20 -0.20 0.00 0.00 0.06 0.00 0.00 31.60 31.67 3hpa h MET 242 CO -0.01 0.81 -0.15 0.00 1.06 0.00 0.00 176.91 178.61 3hpa h ARG 243 N 1.05 -0.42 -0.41 1.72 3.08 -0.43 -2.28 114.38 116.71 3hpa h ARG 243 Ca 0.26 0.03 0.08 0.00 0.07 0.00 0.00 59.98 60.42 3hpa h ARG 243 Cb 0.09 0.09 -0.09 0.00 0.08 0.00 0.00 29.97 30.14 3hpa h ARG 243 CO -0.04 -0.08 -0.26 -0.44 -1.07 0.00 0.00 179.97 178.08 3hpa h ASP 244 N -0.86 -0.86 -0.55 7.04 3.32 -0.88 -0.75 116.42 122.88 3hpa h ASP 244 Ca -0.04 0.17 0.10 0.00 0.02 0.00 0.00 57.03 57.28 3hpa h ASP 244 Cb 0.52 0.43 -0.08 0.00 0.22 0.00 0.00 39.33 40.43 3hpa h ASP 244 CO 0.07 -0.28 0.10 0.00 -1.72 0.00 0.00 179.24 177.42 3hpa h ALA 245 N 0.98 0.63 -0.06 3.45 0.00 -1.08 0.88 119.26 124.06 3hpa h ALA 245 Ca 0.19 0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3hpa h ALA 245 Cb 0.49 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 3hpa h ALA 245 CO -0.51 -0.31 -0.10 0.00 0.00 0.00 0.00 179.25 178.32 3hpa h ALA 246 N 1.44 -0.06 -0.34 0.00 0.00 -0.55 -1.27 119.26 118.47 3hpa h ALA 246 Ca 0.28 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.10 3hpa h ALA 246 Cb 0.40 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 3hpa h ALA 246 CO -0.37 -0.57 -0.29 -0.24 0.00 0.00 0.00 179.25 177.77 3hpa h VAL 247 N -0.15 1.28 -0.82 0.00 3.04 -0.87 -2.24 116.25 116.49 3hpa h VAL 247 Ca 0.06 -1.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.33 3hpa h VAL 247 Cb 0.23 1.33 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 3hpa h VAL 247 CO -0.15 0.47 0.52 0.25 -1.01 0.00 0.00 177.57 177.65 3hpa h LEU 248 N 0.62 0.96 -0.03 3.16 5.85 -0.53 0.48 115.31 125.82 3hpa h LEU 248 Ca 0.07 -0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 3hpa h LEU 248 Cb 0.81 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.60 3hpa h LEU 248 CO 0.07 0.71 -0.00 0.00 -0.34 0.00 0.00 178.44 178.88 3hpa h ALA 249 N 1.28 0.04 -0.76 1.25 0.00 -1.12 -2.26 119.26 117.70 3hpa h ALA 249 Ca 0.30 -0.17 0.10 0.00 0.00 0.00 0.00 54.91 55.14 3hpa h ALA 249 Cb -0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3hpa h ALA 249 CO -0.06 -0.29 0.50 0.00 0.00 0.00 0.00 179.25 179.40 3hpa h ARG 250 N -0.26 0.62 -0.59 0.00 -0.00 -1.09 0.51 114.38 113.58 3hpa h ARG 250 Ca 0.01 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.98 59.42 3hpa h ARG 250 Cb 0.33 -0.14 -0.03 0.00 0.00 0.00 0.00 29.97 30.14 3hpa h ARG 250 CO 0.00 0.41 0.26 1.49 0.00 0.00 0.00 179.97 182.13 3hpa h GLU 251 N 0.64 0.84 -0.01 0.04 4.81 0.37 -3.07 114.58 118.20 3hpa h GLU 251 Ca 0.35 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.46 3hpa h GLU 251 Cb 0.50 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3hpa h GLU 251 CO -0.13 0.67 -0.48 0.66 -0.73 0.00 0.00 179.01 179.00 3hpa n TYR 252 N -4.34 0.00 -1.33 0.92 4.02 -0.07 -4.99 117.16 111.37 3hpa n TYR 252 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3hpa n TYR 252 Cb 0.15 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.47 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 1.28 0.43 3.99 2.72 0.00 0.16 -5.06 105.19 108.70 3hpa n GLY 253 Ca 0.06 -0.96 -0.20 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.00 2.42 0.33 1.61 -7.23 -0.88 -5.02 120.40 109.63 3hpa s VAL 254 Ca 0.00 -1.12 0.05 0.00 -1.81 0.00 0.00 61.98 59.11 3hpa s VAL 254 Cb 0.00 -2.54 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 3hpa s VAL 254 CO 0.00 0.00 0.47 -0.44 -0.31 0.00 0.00 175.10 174.82 3hpa s SER 255 N -4.44 6.04 0.03 4.85 0.01 -1.26 -4.43 113.70 114.51 3hpa s SER 255 Ca 0.54 -0.06 0.04 0.00 1.31 0.00 0.00 55.95 57.78 3hpa s SER 255 Cb -0.06 -1.42 -0.04 0.00 0.21 0.00 0.00 66.02 64.71 3hpa s SER 255 CO 0.33 -0.38 -0.07 -0.76 0.41 0.00 0.00 173.24 172.78 3hpa s LEU 256 N -4.17 3.18 -0.12 2.44 1.43 0.13 -0.47 118.68 121.10 3hpa s LEU 256 Ca 0.43 -0.20 -0.19 0.00 -1.03 0.00 0.00 54.13 53.15 3hpa s LEU 256 Cb -0.09 -1.87 0.04 0.00 0.03 0.00 0.00 46.19 44.30 3hpa s LEU 256 CO 0.31 0.25 0.47 -2.28 0.23 0.00 0.00 176.35 175.34 3hpa s HIS 257 N -1.08 -0.46 0.02 0.29 2.46 -0.58 -2.72 115.29 113.23 3hpa s HIS 257 Ca 0.19 1.00 -0.29 0.00 0.47 0.00 0.00 55.06 56.44 3hpa s HIS 257 Cb -0.11 0.20 0.10 0.00 -0.13 0.00 0.00 32.58 32.63 3hpa s HIS 257 CO 0.10 -0.35 1.07 -0.08 -2.47 0.00 0.00 174.74 173.01 3hpa s THR 258 N -0.39 0.00 -0.10 0.89 -1.32 -1.24 -3.90 115.64 109.58 3hpa s THR 258 Ca -0.05 -0.31 -0.30 0.00 -1.21 0.00 0.00 61.69 59.82 3hpa s THR 258 Cb -0.03 -1.63 -0.02 0.00 -1.51 0.00 0.00 72.50 69.31 3hpa s THR 258 CO 0.03 0.00 1.09 -1.00 -2.21 0.00 0.00 174.62 172.53 3hpa s HIS 259 N -2.90 3.36 -0.09 9.09 3.76 -0.69 -1.73 115.29 126.09 3hpa s HIS 259 Ca 0.11 1.43 -0.01 0.00 -0.15 0.00 0.00 55.06 56.44 3hpa s HIS 259 Cb 0.00 -3.29 0.03 0.00 1.11 0.00 0.00 32.58 30.43 3hpa s HIS 259 CO -0.03 -0.69 -0.04 -1.17 -0.85 0.00 0.00 174.74 171.96 3hpa s LEU 260 N 2.24 0.96 -1.28 0.89 2.96 -1.08 -4.50 118.68 118.86 3hpa s LEU 260 Ca 0.51 -0.19 -0.02 0.00 -0.22 0.00 0.00 54.13 54.21 3hpa s LEU 260 Cb -0.20 -0.63 -0.00 0.00 0.50 0.00 0.00 46.19 45.85 3hpa s LEU 260 CO 0.18 -0.14 0.73 0.00 -1.32 0.00 0.00 176.35 175.80 3hpa n ALA 261 N 4.89 -2.07 -0.05 5.97 0.00 -1.26 -1.81 120.51 126.17 3hpa n ALA 261 Ca -0.12 -0.15 -0.15 0.00 0.00 0.00 0.00 53.44 53.01 3hpa n ALA 261 Cb 0.50 -2.27 -0.06 0.00 0.00 0.00 0.00 19.45 17.62 3hpa n ALA 261 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 3hpa h GLU 262 N -1.83 0.68 0.00 0.00 4.81 -1.86 -2.87 114.58 113.51 3hpa h GLU 262 Ca -0.61 -0.47 -0.31 0.00 -0.13 0.00 0.00 59.36 57.83 3hpa h GLU 262 Cb 1.36 0.07 -0.08 0.00 0.63 0.00 0.00 28.75 30.73 3hpa h GLU 262 CO 0.55 1.09 -0.30 0.27 -0.73 0.00 0.00 179.01 179.89 3hpa n ASN 263 N -4.15 -0.25 -0.22 1.04 6.94 -1.26 -4.48 115.26 112.88 3hpa n ASN 263 Ca -0.06 -2.41 -0.01 0.00 -0.02 0.00 0.00 54.58 52.08 3hpa n ASN 263 Cb 0.60 1.02 0.21 0.00 -2.36 0.00 0.00 39.78 39.25 3hpa n ASN 263 CO 0.00 0.00 0.00 0.58 -1.03 0.00 0.00 177.26 176.81 3hpa h VAL 264 N 1.65 1.21 -0.21 3.53 2.07 -1.93 -1.80 116.25 120.78 3hpa h VAL 264 Ca -0.16 -0.48 -0.05 0.00 0.82 0.00 0.00 66.70 66.83 3hpa h VAL 264 Cb 0.77 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3hpa h VAL 264 CO 0.23 0.23 -0.07 0.78 0.02 0.00 0.00 177.57 178.76 3hpa h ASN 265 N 1.02 0.30 -0.26 0.57 -0.26 -1.99 -1.71 115.58 113.25 3hpa h ASN 265 Ca 0.26 -0.06 -0.03 0.00 -0.56 0.00 0.00 56.30 55.92 3hpa h ASN 265 Cb -0.02 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.15 3hpa h ASN 265 CO -0.05 0.42 0.06 0.44 -1.06 0.00 0.00 177.43 177.24 3hpa h ASP 266 N 0.31 0.40 0.73 5.81 5.19 -1.73 -2.36 116.42 124.76 3hpa h ASP 266 Ca 0.07 -0.23 -0.05 0.00 -0.62 0.00 0.00 57.03 56.20 3hpa h ASP 266 Cb 0.33 -0.11 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 3hpa h ASP 266 CO 0.02 0.53 -0.24 -0.29 -3.12 0.00 0.00 179.24 176.13 3hpa h ILE 267 N 0.25 0.66 0.00 0.35 6.09 -1.32 -2.61 117.51 120.93 3hpa h ILE 267 Ca 0.08 -1.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.51 3hpa h ILE 267 Cb 0.28 1.69 0.00 0.00 0.47 0.00 0.00 36.82 39.26 3hpa h ILE 267 CO 0.00 0.23 0.31 0.00 -3.07 0.00 0.00 178.15 175.63 3hpa h ALA 268 N 1.76 1.25 -1.07 0.18 0.00 -0.75 -3.46 119.26 117.18 3hpa h ALA 268 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 3hpa h ALA 268 Cb 0.67 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.26 3hpa h ALA 268 CO 0.03 -0.25 -0.59 0.98 0.00 0.00 0.00 179.25 179.41 3hpa n TYR 269 N -2.39 -3.15 -1.97 0.00 9.36 -0.99 -5.10 117.16 112.93 3hpa n TYR 269 Ca -0.01 -1.83 -0.31 0.00 3.32 0.00 0.00 57.90 59.06 3hpa n TYR 269 Cb 0.34 1.23 0.00 0.00 -0.63 0.00 0.00 39.34 40.29 3hpa n TYR 269 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 3hpa s THR 277 N 0.62 4.66 0.10 2.97 -4.23 -1.26 -5.11 115.64 113.39 3hpa s THR 277 Ca 0.31 0.94 -0.22 0.00 -1.18 0.00 0.00 61.69 61.55 3hpa s THR 277 Cb 0.06 -3.83 -0.12 0.00 1.34 0.00 0.00 72.50 69.95 3hpa s THR 277 CO -0.11 -1.05 1.75 -0.65 -0.54 0.00 0.00 174.62 174.02 3hpa h PRO 278 N -0.08 0.11 -0.96 3.99 0.11 -1.92 -2.72 132.00 130.53 3hpa h PRO 278 Ca -0.45 -0.01 0.07 0.00 0.11 0.00 0.00 66.00 65.73 3hpa h PRO 278 Cb 1.19 -0.02 -0.07 0.00 0.11 0.00 0.00 31.00 32.21 3hpa h PRO 278 CO 0.62 0.07 0.61 0.00 -0.21 0.00 0.00 178.00 179.09 3hpa h ALA 279 N 1.03 1.34 0.40 -0.75 0.00 -1.98 -2.37 119.26 116.93 3hpa h ALA 279 Ca 0.03 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3hpa h ALA 279 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.51 3hpa h ALA 279 CO -0.01 0.36 -0.19 0.93 0.00 0.00 0.00 179.25 180.35 3hpa h GLU 280 N 1.09 -0.52 -0.89 0.00 5.08 -1.97 -2.03 114.58 115.35 3hpa h GLU 280 Ca 0.42 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 59.08 3hpa h GLU 280 Cb 0.21 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 3hpa h GLU 280 CO -0.19 -0.21 0.71 -0.92 -1.00 0.00 0.00 179.01 177.41 3hpa h TYR 281 N -0.95 0.00 0.00 4.33 3.20 -1.42 0.21 116.97 122.35 3hpa h TYR 281 Ca -0.05 0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.72 3hpa h TYR 281 Cb 0.55 0.00 0.01 0.00 1.54 0.00 0.00 36.73 38.83 3hpa h TYR 281 CO 0.02 0.00 -0.36 0.00 -1.64 0.00 0.00 178.16 176.18 3hpa h ALA 282 N 1.41 0.04 -0.14 1.82 0.00 -1.30 -2.78 119.26 118.31 3hpa h ALA 282 Ca 0.42 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.80 3hpa h ALA 282 Cb 1.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 3hpa h ALA 282 CO -0.00 0.17 -0.04 1.49 0.00 0.00 0.00 179.25 180.86 3hpa h GLU 283 N -0.39 0.20 0.00 0.00 4.81 0.07 -0.29 114.58 118.98 3hpa h GLU 283 Ca -0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 3hpa h GLU 283 Cb 1.11 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.46 3hpa h GLU 283 CO 0.07 0.26 0.00 -0.44 -0.73 0.00 0.00 179.01 178.17 3hpa h ASP 284 N 0.20 0.00 -0.07 1.04 3.32 -0.99 -3.10 116.42 116.82 3hpa h ASP 284 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 3hpa h ASP 284 Cb 0.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3hpa h ASP 284 CO 0.01 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.71 3hpa n LEU 285 N -2.34 2.69 0.00 1.55 7.99 -0.60 -4.96 117.00 121.32 3hpa n LEU 285 Ca 0.05 -1.08 0.00 0.00 -0.01 0.00 0.00 56.01 54.97 3hpa n LEU 285 Cb 0.42 -0.03 0.00 0.00 -0.11 0.00 0.00 43.42 43.69 3hpa n LEU 285 CO 0.30 0.49 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 3hpa n GLY 286 N 1.10 0.84 2.67 -0.72 0.00 -0.79 -4.67 105.19 103.62 3hpa n GLY 286 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.11 3.35 -3.53 1.61 7.02 -0.22 -4.82 117.44 118.75 3hpa n TRP 287 Ca 0.00 -2.99 -0.15 0.00 -1.02 0.00 0.00 57.50 53.34 3hpa n TRP 287 Cb 0.00 -2.53 -0.05 0.00 -2.42 0.00 0.00 31.31 26.31 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 2.95 0.01 0.00 -0.99 -7.23 -1.26 -4.54 120.40 109.34 3hpa s VAL 288 Ca 0.50 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.57 3hpa s VAL 288 Cb 0.14 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 36.11 3hpa s VAL 288 CO -0.08 -0.06 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 3hpa n GLY 289 N 0.48 1.78 0.30 2.32 0.00 -1.21 -4.82 105.19 104.05 3hpa n GLY 289 Ca -0.18 -2.09 0.19 0.00 0.00 0.00 0.00 46.02 43.93 3hpa n GLY 289 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3hpa h HIS 290 N 0.00 0.00 -0.58 1.61 3.86 -1.61 -2.19 115.15 116.23 3hpa h HIS 290 Ca 0.00 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 59.03 3hpa h HIS 290 Cb 0.00 0.00 -0.10 0.00 1.06 0.00 0.00 27.41 28.37 3hpa h HIS 290 CO 0.00 0.03 0.22 -0.40 0.86 0.00 0.00 177.93 178.64 3hpa n ASP 291 N -3.25 4.18 -4.16 2.45 3.85 -1.26 -4.51 116.55 113.85 3hpa n ASP 291 Ca -0.02 -2.94 -0.10 0.00 -0.71 0.00 0.00 54.79 51.02 3hpa n ASP 291 Cb 0.18 -0.70 -0.10 0.00 -1.35 0.00 0.00 41.12 39.15 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 -2.43 0.55 -0.29 2.12 1.01 -0.82 -0.69 120.40 119.85 3hpa s VAL 292 Ca 0.43 -1.92 -0.21 0.00 0.00 0.00 0.00 61.98 60.28 3hpa s VAL 292 Cb 0.34 -1.74 0.14 0.00 0.00 0.00 0.00 36.38 35.12 3hpa s VAL 292 CO 0.11 -0.81 1.07 -1.66 0.00 0.00 0.00 175.10 173.81 3hpa s TRP 293 N -3.72 -0.44 -0.08 5.22 -2.14 -1.10 -1.90 118.94 114.78 3hpa s TRP 293 Ca 0.14 0.97 0.01 0.00 2.66 0.00 0.00 56.10 59.88 3hpa s TRP 293 Cb 0.06 0.35 -0.02 0.00 -3.10 0.00 0.00 33.47 30.76 3hpa s TRP 293 CO -0.04 -0.21 -0.11 -1.01 -2.66 0.00 0.00 176.95 172.91 3hpa s HIS 294 N 0.69 2.81 0.36 1.66 3.76 0.31 -3.68 115.29 121.21 3hpa s HIS 294 Ca -0.02 -0.23 -0.26 0.00 -0.15 0.00 0.00 55.06 54.40 3hpa s HIS 294 Cb -0.04 -1.72 -0.09 0.00 1.11 0.00 0.00 32.58 31.83 3hpa s HIS 294 CO -0.11 0.12 1.10 0.00 -0.85 0.00 0.00 174.74 175.00 3hpa s ALA 295 N -0.43 3.22 0.00 -1.40 0.00 -0.71 0.35 121.76 122.79 3hpa s ALA 295 Ca 0.06 0.85 0.00 0.00 0.00 0.00 0.00 51.96 52.86 3hpa s ALA 295 Cb -0.12 -3.32 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3hpa s ALA 295 CO 0.02 -0.29 0.00 0.72 0.00 0.00 0.00 175.76 176.21 3hpa n HIS 296 N 0.42 0.00 -2.25 0.00 8.25 0.16 -2.64 115.22 119.15 3hpa n HIS 296 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 3hpa n HIS 296 Cb 0.47 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.56 3hpa n HIS 296 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3hpa s VAL 298 N -2.59 4.16 -0.23 0.00 0.11 -1.08 -2.77 120.40 118.00 3hpa s VAL 298 Ca 0.00 1.94 -0.00 0.00 -2.93 0.00 0.00 61.98 60.99 3hpa s VAL 298 Cb 0.00 -4.24 0.00 0.00 -1.53 0.00 0.00 36.38 30.61 3hpa s VAL 298 CO 0.00 0.37 0.02 0.00 -3.33 0.00 0.00 175.10 172.16 3hpa n GLN 299 N 2.19 -0.33 -2.74 1.54 6.02 -1.26 -4.34 117.38 118.45 3hpa n GLN 299 Ca 0.01 0.13 -0.42 0.00 -0.01 0.00 0.00 57.00 56.71 3hpa n GLN 299 Cb 0.48 -3.67 -0.03 0.00 1.02 0.00 0.00 30.24 28.04 3hpa n GLN 299 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 3hpa s LEU 300 N -0.93 4.24 0.45 1.08 2.96 -1.11 -5.00 118.68 120.36 3hpa s LEU 300 Ca 0.01 1.45 -0.22 0.00 -0.22 0.00 0.00 54.13 55.15 3hpa s LEU 300 Cb -0.00 -3.47 -0.11 0.00 0.50 0.00 0.00 46.19 43.10 3hpa s LEU 300 CO 0.01 -0.42 0.60 -0.67 -1.32 0.00 0.00 176.35 174.56 3hpa n ASP 301 N 4.97 -0.62 -0.28 3.68 -0.08 -1.26 -4.70 116.55 118.27 3hpa n ASP 301 Ca 0.07 0.89 -0.05 0.00 -1.51 0.00 0.00 54.79 54.20 3hpa n ASP 301 Cb 0.49 -1.16 0.06 0.00 2.34 0.00 0.00 41.12 42.85 3hpa n ASP 301 CO 0.00 0.00 0.00 0.44 0.12 0.00 0.00 177.20 177.76 3hpa h ASP 302 N 0.79 0.91 -0.34 1.67 5.19 -1.99 0.35 116.42 122.99 3hpa h ASP 302 Ca -0.42 -0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 55.91 3hpa h ASP 302 Cb 1.39 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.65 3hpa h ASP 302 CO 0.51 0.71 0.16 0.00 -3.12 0.00 0.00 179.24 177.50 3hpa h ALA 303 N 1.24 0.45 -0.80 3.45 0.00 -2.00 -1.72 119.26 119.87 3hpa h ALA 303 Ca 0.27 -0.11 0.13 0.00 0.00 0.00 0.00 54.91 55.21 3hpa h ALA 303 Cb -0.03 -0.14 -0.09 0.00 0.00 0.00 0.00 17.79 17.53 3hpa h ALA 303 CO -0.05 0.01 0.40 0.78 0.00 0.00 0.00 179.25 180.39 3hpa h GLY 304 N 0.42 1.27 0.99 0.00 0.00 -1.47 -0.44 103.07 103.83 3hpa h GLY 304 Ca 0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 3hpa h GLY 304 CO -0.01 -0.02 0.29 -2.22 0.00 0.00 0.00 176.54 174.58 3hpa h ILE 305 N 0.60 1.21 -0.67 2.60 2.04 0.26 -1.70 117.51 121.85 3hpa h ILE 305 Ca 0.43 -0.59 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 3hpa h ILE 305 Cb 0.57 0.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 3hpa h ILE 305 CO -0.34 0.24 0.30 1.23 0.00 0.00 0.00 178.15 179.58 3hpa h GLY 306 N 0.82 1.03 0.89 5.37 0.00 -0.28 -0.59 103.07 110.31 3hpa h GLY 306 Ca 0.21 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 3hpa h GLY 306 CO -0.03 0.48 -0.28 -2.00 0.00 0.00 0.00 176.54 174.71 3hpa h LEU 307 N 0.95 -0.67 -1.18 3.11 5.85 -0.65 -1.82 115.31 120.90 3hpa h LEU 307 Ca 0.23 -0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.99 3hpa h LEU 307 Cb 0.13 0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.27 3hpa h LEU 307 CO -0.03 -0.39 0.57 -0.26 -0.34 0.00 0.00 178.44 177.99 3hpa h PHE 308 N -0.91 1.00 -0.51 1.25 0.05 -1.21 -0.05 116.94 116.56 3hpa h PHE 308 Ca -0.08 0.03 0.04 0.00 3.82 0.00 0.00 57.97 61.78 3hpa h PHE 308 Cb 0.65 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 38.22 3hpa h PHE 308 CO -0.01 0.53 0.27 0.00 -0.18 0.00 0.00 178.31 178.91 3hpa h ALA 309 N 1.52 0.65 -0.03 2.45 0.00 -0.94 0.64 119.26 123.55 3hpa h ALA 309 Ca 0.37 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.26 3hpa h ALA 309 Cb 0.20 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 3hpa h ALA 309 CO -0.14 -0.07 -0.12 0.00 0.00 0.00 0.00 179.25 178.92 3hpa h ARG 310 N 0.52 0.13 0.00 0.00 3.08 -0.53 -3.23 114.38 114.35 3hpa h ARG 310 Ca 0.22 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3hpa h ARG 310 Cb 0.11 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.19 3hpa h ARG 310 CO -0.15 0.76 0.00 -2.37 -1.07 0.00 0.00 179.97 177.14 3hpa n THR 311 N -4.64 0.17 -2.22 2.04 5.66 -0.11 -4.90 114.28 110.29 3hpa n THR 311 Ca -0.09 0.04 -0.15 0.00 -3.05 0.00 0.00 64.05 60.80 3hpa n THR 311 Cb 0.39 -0.62 -0.01 0.00 -1.55 0.00 0.00 70.33 68.54 3hpa n THR 311 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3hpa n GLY 312 N 0.88 -0.11 3.73 1.09 0.00 0.21 -3.18 105.19 107.81 3hpa n GLY 312 Ca 0.12 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.75 4.14 0.48 2.61 2.01 -0.20 -3.64 115.64 118.29 3hpa s THR 313 Ca 0.00 1.75 -0.02 0.00 0.31 0.00 0.00 61.69 63.73 3hpa s THR 313 Cb 0.00 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.39 3hpa s THR 313 CO 0.00 0.25 0.73 -0.83 -0.69 0.00 0.00 174.62 174.08 3hpa s GLY 314 N 0.19 1.55 -0.03 4.40 0.00 -0.80 -4.16 107.32 108.47 3hpa s GLY 314 Ca 0.50 -0.88 0.03 0.00 0.00 0.00 0.00 44.72 44.37 3hpa s GLY 314 CO 0.32 -0.70 -0.10 0.54 0.00 0.00 0.00 173.10 173.16 3hpa s VAL 315 N -2.66 0.84 -0.51 1.40 0.11 -0.82 0.12 120.40 118.87 3hpa s VAL 315 Ca 0.49 -0.40 -0.14 0.00 -2.93 0.00 0.00 61.98 59.00 3hpa s VAL 315 Cb -0.10 -0.74 0.12 0.00 -1.53 0.00 0.00 36.38 34.13 3hpa s VAL 315 CO 0.40 0.26 0.45 0.00 -3.33 0.00 0.00 175.10 172.88 3hpa s ALA 316 N 0.15 3.57 -0.03 1.54 0.00 0.16 -1.00 121.76 126.14 3hpa s ALA 316 Ca -0.03 -2.45 -0.30 0.00 0.00 0.00 0.00 51.96 49.18 3hpa s ALA 316 Cb -0.08 -3.13 -0.03 0.00 0.00 0.00 0.00 23.12 19.87 3hpa s ALA 316 CO 0.01 -1.93 1.14 -1.58 0.00 0.00 0.00 175.76 173.39 3hpa s HIS 317 N 1.56 3.36 -0.59 0.00 2.46 -0.03 0.39 115.29 122.45 3hpa s HIS 317 Ca 0.04 1.37 0.05 0.00 0.47 0.00 0.00 55.06 56.99 3hpa s HIS 317 Cb -0.28 -3.34 0.20 0.00 -0.13 0.00 0.00 32.58 29.03 3hpa s HIS 317 CO 0.03 -0.94 0.53 0.00 -2.47 0.00 0.00 174.74 171.89 3hpa h PRO 319 N 4.94 -0.52 -0.65 0.00 0.13 -1.91 -0.62 132.00 133.38 3hpa h PRO 319 Ca 0.18 0.04 0.06 0.00 -0.87 0.00 0.00 66.00 65.40 3hpa h PRO 319 Cb 0.78 0.12 -0.05 0.00 0.13 0.00 0.00 31.00 31.97 3hpa h PRO 319 CO 0.64 -0.34 0.36 0.00 -0.23 0.00 0.00 178.00 178.43 3hpa h SER 321 N 0.67 0.69 0.13 0.00 0.87 -1.62 0.14 113.55 114.44 3hpa h SER 321 Ca 0.29 -0.11 -0.03 0.00 -1.23 0.00 0.00 61.79 60.71 3hpa h SER 321 Cb 0.17 -0.18 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3hpa h SER 321 CO -0.18 0.60 -0.13 0.78 -0.53 0.00 0.00 176.83 177.38 3hpa h ASN 322 N 0.73 0.00 0.00 6.23 2.35 -0.33 -1.48 115.58 123.08 3hpa h ASN 322 Ca 0.19 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.88 3hpa h ASN 322 Cb 0.08 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3hpa h ASN 322 CO -0.03 0.13 -0.35 0.24 -1.65 0.00 0.00 177.43 175.77 3hpa h MET 323 N 0.00 0.00 -0.16 0.81 2.86 -0.71 0.80 114.93 118.53 3hpa h MET 323 Ca -0.00 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 3hpa h MET 323 Cb 0.23 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.88 3hpa h MET 323 CO 0.02 0.91 0.11 -0.09 1.06 0.00 0.00 176.91 178.92 3hpa h ARG 324 N -1.00 0.04 -0.01 1.72 2.43 -0.65 -0.50 114.38 116.41 3hpa h ARG 324 Ca -0.09 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3hpa h ARG 324 Cb 1.01 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 3hpa h ARG 324 CO -0.06 0.03 -0.66 1.28 -1.51 0.00 0.00 179.97 179.05 3hpa n LEU 325 N -4.50 1.63 -3.05 3.80 4.32 -0.56 -4.99 117.00 113.65 3hpa n LEU 325 Ca 0.01 -0.66 -0.14 0.00 -0.02 0.00 0.00 56.01 55.19 3hpa n LEU 325 Cb 0.21 0.00 0.08 0.00 -1.62 0.00 0.00 43.42 42.09 3hpa n LEU 325 CO 0.35 0.33 0.09 0.00 -1.22 0.00 0.00 177.39 176.94 3hpa n ALA 326 N -0.57 -1.69 0.07 -1.18 0.00 -0.20 -4.69 120.51 112.25 3hpa n ALA 326 Ca 0.07 -0.04 0.06 0.00 0.00 0.00 0.00 53.44 53.52 3hpa n ALA 326 Cb 0.41 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.67 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 -1.61 0.00 -4.78 0.00 0.02 0.34 -3.49 113.55 104.03 3hpa h SER 327 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3hpa h SER 327 Cb 1.29 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.83 3hpa h SER 327 CO 0.42 0.30 0.00 0.61 -1.14 0.00 0.00 176.83 177.02 3hpa n GLY 328 N 1.28 0.69 3.27 -3.77 0.00 -1.15 -4.72 105.19 100.80 3hpa n GLY 328 Ca -0.04 -2.24 -0.38 0.00 0.00 0.00 0.00 46.02 43.36 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 -0.77 3.77 0.46 -0.61 1.01 -1.26 -4.59 121.20 119.21 3hpa s ILE 329 Ca 0.00 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.29 3hpa s ILE 329 Cb 0.00 -3.13 -0.07 0.00 0.01 0.00 0.00 42.46 39.27 3hpa s ILE 329 CO 0.00 -0.16 1.31 0.00 0.00 0.00 0.00 174.94 176.08 3hpa s ALA 330 N 1.40 3.10 0.00 9.38 0.00 -1.26 -4.71 121.76 129.67 3hpa s ALA 330 Ca -0.02 1.23 -0.04 0.00 0.00 0.00 0.00 51.96 53.14 3hpa s ALA 330 Cb -0.19 -3.50 -0.18 0.00 0.00 0.00 0.00 23.12 19.25 3hpa s ALA 330 CO 0.03 -0.98 2.78 -0.35 0.00 0.00 0.00 175.76 177.24 3hpa n PRO 331 N -0.31 1.48 -0.28 0.00 -0.04 -1.26 -4.58 135.00 130.01 3hpa n PRO 331 Ca 0.06 -0.66 0.08 0.00 -0.04 0.00 0.00 63.50 62.94 3hpa n PRO 331 Cb 0.44 -1.75 0.23 0.00 -0.04 0.00 0.00 33.50 32.38 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 1.99 0.57 0.25 0.52 2.07 -1.95 0.29 116.25 119.99 3hpa h VAL 332 Ca 0.13 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.50 3hpa h VAL 332 Cb 1.16 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 3hpa h VAL 332 CO 0.23 0.07 -0.31 0.50 0.02 0.00 0.00 177.57 178.08 3hpa h LYS 333 N 0.41 -0.55 -0.59 1.57 3.11 -1.86 0.96 116.57 119.62 3hpa h LYS 333 Ca 0.47 0.04 0.12 0.00 -2.81 0.00 0.00 60.65 58.46 3hpa h LYS 333 Cb 0.79 0.13 -0.09 0.00 -1.00 0.00 0.00 32.23 32.05 3hpa h LYS 333 CO -0.47 -0.37 0.05 -0.22 -2.81 0.00 0.00 179.45 175.64 3hpa h LYS 334 N -0.57 0.17 0.16 1.90 3.64 -1.69 -0.96 116.57 119.22 3hpa h LYS 334 Ca -0.03 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.35 3hpa h LYS 334 Cb 0.51 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.26 3hpa h LYS 334 CO -0.07 0.11 -0.30 0.52 -2.27 0.00 0.00 179.45 177.44 3hpa h MET 335 N 0.17 -0.53 -0.80 1.90 2.86 -0.19 -0.31 114.93 118.02 3hpa h MET 335 Ca 0.31 0.04 0.13 0.00 -2.06 0.00 0.00 59.70 58.11 3hpa h MET 335 Cb 0.48 0.12 -0.09 0.00 0.06 0.00 0.00 31.60 32.17 3hpa h MET 335 CO -0.46 -0.36 0.40 -0.09 1.06 0.00 0.00 176.91 177.47 3hpa h ARG 336 N -0.55 0.60 -0.42 1.72 9.65 -0.25 0.56 114.38 125.68 3hpa h ARG 336 Ca 0.02 -0.04 -0.04 0.00 -1.10 0.00 0.00 59.98 58.83 3hpa h ARG 336 Cb 0.56 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.99 3hpa h ARG 336 CO -0.15 0.39 0.10 1.25 2.80 0.00 0.00 179.97 184.36 3hpa h LEU 337 N 0.61 0.58 -0.24 3.80 5.85 -0.59 -2.05 115.31 123.27 3hpa h LEU 337 Ca 0.42 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 59.06 3hpa h LEU 337 Cb 0.55 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3hpa h LEU 337 CO -0.33 0.58 0.00 0.00 -0.34 0.00 0.00 178.44 178.35 3hpa h ALA 338 N 1.50 1.00 0.00 1.25 0.00 0.82 -3.47 119.26 120.36 3hpa h ALA 338 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3hpa h ALA 338 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3hpa h ALA 338 CO -0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 3hpa n GLY 339 N 0.95 0.69 3.71 0.00 0.00 -0.54 -4.83 105.19 105.15 3hpa n GLY 339 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3hpa n GLY 339 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hpa s VAL 340 N -2.00 3.66 0.06 1.61 0.11 -1.00 -4.84 120.40 118.01 3hpa s VAL 340 Ca 0.00 1.15 -0.30 0.00 -2.93 0.00 0.00 61.98 59.90 3hpa s VAL 340 Cb 0.00 -3.74 -0.09 0.00 -1.53 0.00 0.00 36.38 31.02 3hpa s VAL 340 CO 0.00 0.06 1.91 -2.84 -3.33 0.00 0.00 175.10 170.91 3hpa s PRO 341 N 1.45 4.14 -0.14 1.54 0.02 -1.26 -4.35 135.00 136.40 3hpa s PRO 341 Ca 0.62 2.60 -0.00 0.00 0.02 0.00 0.00 61.00 64.24 3hpa s PRO 341 Cb -0.33 -3.96 -0.01 0.00 0.02 0.00 0.00 34.50 30.22 3hpa s PRO 341 CO 0.29 -0.91 -0.13 0.08 -0.33 0.00 0.00 177.00 175.99 3hpa s VAL 342 N 3.85 2.94 0.44 3.83 1.01 -1.26 -1.94 120.40 129.28 3hpa s VAL 342 Ca 0.85 -0.69 0.05 0.00 0.00 0.00 0.00 61.98 62.20 3hpa s VAL 342 Cb -0.44 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3hpa s VAL 342 CO 0.39 0.52 0.06 -0.83 0.00 0.00 0.00 175.10 175.24 3hpa s GLY 343 N 0.55 2.62 0.05 4.51 0.00 -0.17 -4.18 107.32 110.70 3hpa s GLY 343 Ca -0.08 -1.69 0.08 0.00 0.00 0.00 0.00 44.72 43.02 3hpa s GLY 343 CO 0.04 -2.09 -0.20 -2.27 0.00 0.00 0.00 173.10 168.58 3hpa s LEU 344 N -3.82 2.51 -0.06 0.66 2.96 -1.26 -0.85 118.68 118.83 3hpa s LEU 344 Ca 0.28 -0.48 -0.06 0.00 -0.22 0.00 0.00 54.13 53.65 3hpa s LEU 344 Cb 0.06 -1.46 0.01 0.00 0.50 0.00 0.00 46.19 45.31 3hpa s LEU 344 CO 0.15 0.25 0.16 -0.83 -1.32 0.00 0.00 176.35 174.76 3hpa s GLY 345 N -1.46 -0.11 0.23 7.98 0.00 0.93 -0.31 107.32 114.57 3hpa s GLY 345 Ca 0.14 0.42 0.19 0.00 0.00 0.00 0.00 44.72 45.46 3hpa s GLY 345 CO 0.05 0.35 1.20 -0.24 0.00 0.00 0.00 173.10 174.45 3hpa h VAL 346 N 4.84 0.39 -1.83 1.40 3.04 -1.83 -3.36 116.25 118.90 3hpa h VAL 346 Ca -0.26 -1.63 0.20 0.00 -1.01 0.00 0.00 66.70 64.01 3hpa h VAL 346 Cb 1.20 2.01 -0.08 0.00 -2.01 0.00 0.00 31.29 32.41 3hpa h VAL 346 CO 0.40 0.22 -0.46 -0.67 -1.01 0.00 0.00 177.57 176.05 3hpa n ASP 347 N -2.97 -4.73 -4.55 3.17 2.03 -0.44 -4.63 116.55 104.42 3hpa n ASP 347 Ca -0.01 0.53 -0.42 0.00 0.52 0.00 0.00 54.79 55.40 3hpa n ASP 347 Cb 0.68 -2.53 0.01 0.00 -0.72 0.00 0.00 41.12 38.56 3hpa n ASP 347 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3hpa n GLY 348 N -3.38 -0.66 0.00 0.27 0.00 -1.26 -4.37 105.19 95.79 3hpa n GLY 348 Ca -0.02 0.12 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3hpa n GLY 348 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3hpa n SER 349 N 0.80 0.00 0.02 1.61 7.64 -1.25 -1.62 113.62 120.81 3hpa n SER 349 Ca 0.10 -1.08 0.11 0.00 1.01 0.00 0.00 58.87 59.01 3hpa n SER 349 Cb 0.38 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.55 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 -0.75 3.52 -2.98 -0.43 0.00 -1.26 -4.43 120.51 114.18 3hpa n ALA 350 Ca 0.09 -0.45 -0.22 0.00 0.00 0.00 0.00 53.44 52.86 3hpa n ALA 350 Cb 0.04 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 -1.95 2.72 0.15 0.00 3.41 -0.64 -4.80 113.62 112.51 3hpa n SER 351 Ca 0.01 -3.32 0.00 0.00 -0.26 0.00 0.00 58.87 55.30 3hpa n SER 351 Cb 0.44 -0.57 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 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 -0.03 -2.20 -0.99 4.04 4.05 -1.24 -3.88 115.26 115.02 3hpa n ASN 352 Ca 0.27 0.56 0.06 0.00 0.45 0.00 0.00 54.58 55.93 3hpa n ASN 352 Cb 0.56 2.19 0.25 0.00 1.23 0.00 0.00 39.78 44.02 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 -3.18 3.74 -4.93 1.20 8.00 -1.26 -4.76 116.55 115.35 3hpa n ASP 353 Ca 0.00 -3.14 -0.20 0.00 0.71 0.00 0.00 54.79 52.16 3hpa n ASP 353 Cb 0.00 -0.57 0.05 0.00 -0.02 0.00 0.00 41.12 40.58 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 -1.98 1.83 -0.28 0.44 0.00 -1.26 -4.70 107.32 101.37 3hpa s GLY 354 Ca 0.43 -1.61 0.22 0.00 0.00 0.00 0.00 44.72 43.75 3hpa s GLY 354 CO 0.08 -1.27 1.06 0.00 0.00 0.00 0.00 173.10 172.97 3hpa n ALA 355 N -2.30 2.83 -2.89 3.20 0.00 -1.26 -4.86 120.51 115.23 3hpa n ALA 355 Ca 0.11 -2.86 -0.43 0.00 0.00 0.00 0.00 53.44 50.25 3hpa n ALA 355 Cb 0.60 -0.90 -0.04 0.00 0.00 0.00 0.00 19.45 19.11 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 -3.60 3.13 0.18 0.00 -0.44 -1.26 -3.93 119.66 113.74 3hpa s GLN 356 Ca 0.27 -0.95 -0.19 0.00 -2.50 0.00 0.00 55.36 52.00 3hpa s GLN 356 Cb 0.36 -4.28 0.13 0.00 -1.64 0.00 0.00 33.01 27.58 3hpa s GLN 356 CO -0.02 -1.78 1.62 1.98 0.50 0.00 0.00 175.29 177.59 3hpa h MET 357 N 9.48 -0.12 -0.04 1.67 1.85 -1.86 0.03 114.93 125.94 3hpa h MET 357 Ca -0.26 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 58.83 3hpa h MET 357 Cb 1.07 0.03 -0.00 0.00 0.43 0.00 0.00 31.60 33.12 3hpa h MET 357 CO 1.17 -0.08 -0.02 -0.24 -0.40 0.00 0.00 176.91 177.34 3hpa h VAL 358 N -0.12 1.04 -0.66 -5.77 3.04 -1.87 -0.00 116.25 111.91 3hpa h VAL 358 Ca 0.22 -0.18 -0.08 0.00 -1.01 0.00 0.00 66.70 65.65 3hpa h VAL 358 Cb 0.46 1.04 -0.03 0.00 -2.01 0.00 0.00 31.29 30.76 3hpa h VAL 358 CO -0.54 0.06 0.11 0.00 -1.01 0.00 0.00 177.57 176.19 3hpa h ALA 359 N 1.92 0.87 -0.56 3.17 0.00 -1.38 -1.26 119.26 122.03 3hpa h ALA 359 Ca 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 3hpa h ALA 359 Cb 0.08 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3hpa h ALA 359 CO 0.00 0.64 0.13 1.49 0.00 0.00 0.00 179.25 181.51 3hpa h GLU 360 N 1.01 0.86 -0.59 0.00 4.57 -0.14 0.20 114.58 120.49 3hpa h GLU 360 Ca 0.20 -0.18 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 3hpa h GLU 360 Cb 0.43 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.87 3hpa h GLU 360 CO 0.01 0.78 0.02 0.28 -1.18 0.00 0.00 179.01 178.92 3hpa h VAL 361 N 0.83 1.26 -0.26 0.32 2.07 -0.78 -1.89 116.25 117.81 3hpa h VAL 361 Ca 0.18 -1.11 -0.09 0.00 0.82 0.00 0.00 66.70 66.50 3hpa h VAL 361 Cb 0.31 0.78 -0.01 0.00 -1.52 0.00 0.00 31.29 30.85 3hpa h VAL 361 CO -0.00 0.40 -0.20 -0.09 0.02 0.00 0.00 177.57 177.71 3hpa h ARG 362 N 0.94 0.59 -0.39 1.57 2.43 -0.64 -2.97 114.38 115.91 3hpa h ARG 362 Ca 0.17 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 59.10 3hpa h ARG 362 Cb 0.52 -0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3hpa h ARG 362 CO 0.03 0.87 0.26 0.37 -1.51 0.00 0.00 179.97 179.99 3hpa h GLN 363 N 0.31 0.35 -0.00 0.20 5.75 -0.37 -0.86 115.11 120.49 3hpa h GLN 363 Ca 0.05 -0.02 -0.00 0.00 -0.15 0.00 0.00 58.65 58.53 3hpa h GLN 363 Cb 0.74 -0.08 -0.00 0.00 1.07 0.00 0.00 27.48 29.21 3hpa h GLN 363 CO 0.05 0.23 0.00 0.00 -2.65 0.00 0.00 178.83 176.46 3hpa h ALA 364 N 1.78 0.00 -0.31 3.38 0.00 -1.20 0.69 119.26 123.60 3hpa h ALA 364 Ca 0.17 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3hpa h ALA 364 Cb 0.21 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3hpa h ALA 364 CO -0.04 -0.39 0.20 1.25 0.00 0.00 0.00 179.25 180.28 3hpa h LEU 365 N -0.22 0.36 -0.10 0.00 6.46 -1.23 -0.47 115.31 120.11 3hpa h LEU 365 Ca 0.00 -0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.75 3hpa h LEU 365 Cb 0.22 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.05 3hpa h LEU 365 CO -0.00 0.26 0.06 -0.07 -0.62 0.00 0.00 178.44 178.08 3hpa h LEU 366 N 0.42 0.12 -0.45 2.25 4.07 -1.11 -2.05 115.31 118.55 3hpa h LEU 366 Ca 0.11 -0.01 -0.04 0.00 0.08 0.00 0.00 57.88 58.02 3hpa h LEU 366 Cb -0.04 -0.03 -0.02 0.00 1.08 0.00 0.00 40.66 41.65 3hpa h LEU 366 CO -0.02 0.09 0.14 0.25 -1.08 0.00 0.00 178.44 177.82 3hpa h LEU 367 N 0.13 0.66 -1.27 1.67 7.12 -0.71 -1.76 115.31 121.14 3hpa h LEU 367 Ca 0.04 -0.21 -0.04 0.00 0.13 0.00 0.00 57.88 57.80 3hpa h LEU 367 Cb -0.00 -0.17 -0.02 0.00 -0.53 0.00 0.00 40.66 39.93 3hpa h LEU 367 CO -0.01 0.69 0.07 1.56 -0.13 0.00 0.00 178.44 180.62 3hpa h GLN 368 N 0.59 0.57 -0.06 1.25 1.08 -1.02 -2.63 115.11 114.89 3hpa h GLN 368 Ca 0.15 -0.10 -0.06 0.00 -1.45 0.00 0.00 58.65 57.18 3hpa h GLN 368 Cb 0.27 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.61 3hpa h GLN 368 CO -0.00 0.54 -0.20 0.00 -0.95 0.00 0.00 178.83 178.21 3hpa h ARG 369 N 0.55 0.25 0.00 1.46 3.08 -1.09 0.38 114.38 119.02 3hpa h ARG 369 Ca 0.13 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.99 3hpa h ARG 369 Cb 0.25 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.33 3hpa h ARG 369 CO 0.00 0.81 0.00 -0.24 -1.07 0.00 0.00 179.97 179.47 3hpa h VAL 370 N -0.26 0.00 0.03 2.04 3.04 -1.27 0.43 116.25 120.27 3hpa h VAL 370 Ca -0.01 -0.14 -0.35 0.00 -1.01 0.00 0.00 66.70 65.18 3hpa h VAL 370 Cb 0.83 0.90 -0.05 0.00 -2.01 0.00 0.00 31.29 30.96 3hpa h VAL 370 CO 0.04 0.00 -2.15 0.61 -1.01 0.00 0.00 177.57 175.07 3hpa n GLY 371 N -0.70 -0.74 0.00 3.17 0.00 -1.00 -4.77 105.19 101.15 3hpa n GLY 371 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.80 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 -3.12 0.00 0.00 1.61 3.72 0.11 -5.10 117.46 114.68 3hpa n PHE 372 Ca -0.32 -0.08 0.00 0.00 -0.05 0.00 0.00 57.45 57.00 3hpa n PHE 372 Cb 1.07 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.60 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 -0.08 3.82 0.00 1.37 0.00 0.12 -4.69 105.19 105.72 3hpa n GLY 373 Ca 0.00 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.40 3hpa n GLY 373 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3hpa n PRO 374 N -1.37 0.00 -0.58 1.61 -0.04 -1.26 -1.07 135.00 132.30 3hpa n PRO 374 Ca 0.00 0.28 0.03 0.00 -0.04 0.00 0.00 63.50 63.77 3hpa n PRO 374 Cb 0.00 -1.70 0.05 0.00 -0.04 0.00 0.00 33.50 31.81 3hpa n PRO 374 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3hpa n ASP 375 N -1.27 0.80 0.31 3.54 3.85 -1.26 -4.82 116.55 117.69 3hpa n ASP 375 Ca 0.00 -2.37 0.18 0.00 -0.71 0.00 0.00 54.79 51.89 3hpa n ASP 375 Cb 0.20 -0.29 1.01 0.00 -1.35 0.00 0.00 41.12 40.70 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 0.23 1.23 -2.21 2.12 0.00 -1.38 -3.42 119.26 115.84 3hpa h ALA 376 Ca -0.04 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3hpa h ALA 376 Cb 1.37 -0.00 -0.22 0.00 0.00 0.00 0.00 17.79 18.93 3hpa h ALA 376 CO 0.02 0.02 -0.05 1.41 0.00 0.00 0.00 179.25 180.65 3hpa s MET 377 N -4.31 0.65 0.46 0.00 1.75 -1.26 -4.77 119.30 111.82 3hpa s MET 377 Ca -0.04 1.02 0.02 0.00 -1.25 0.00 0.00 55.69 55.44 3hpa s MET 377 Cb 0.14 0.18 0.01 0.00 2.84 0.00 0.00 34.83 37.99 3hpa s MET 377 CO 0.49 -0.13 0.66 0.95 -0.65 0.00 0.00 175.02 176.35 3hpa s THR 378 N 1.15 3.48 0.20 10.11 -4.23 -1.26 -4.95 115.64 120.15 3hpa s THR 378 Ca -0.07 -0.68 -0.11 0.00 -1.18 0.00 0.00 61.69 59.65 3hpa s THR 378 Cb -0.05 -3.27 0.13 0.00 1.34 0.00 0.00 72.50 70.65 3hpa s THR 378 CO -0.12 -0.17 1.87 0.00 -0.54 0.00 0.00 174.62 175.67 3hpa h ALA 379 N 0.39 0.88 -0.11 3.99 0.00 -1.97 -1.54 119.26 120.90 3hpa h ALA 379 Ca -0.44 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.35 3hpa h ALA 379 Cb 1.27 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 3hpa h ALA 379 CO 0.54 0.31 -0.22 0.00 0.00 0.00 0.00 179.25 179.88 3hpa h ARG 380 N 0.94 0.19 -0.17 0.00 3.08 -1.94 -1.27 114.38 115.20 3hpa h ARG 380 Ca 0.25 -0.05 -0.21 0.00 0.07 0.00 0.00 59.98 60.04 3hpa h ARG 380 Cb -0.10 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 29.94 3hpa h ARG 380 CO -0.05 0.40 -0.71 0.93 -1.07 0.00 0.00 179.97 179.47 3hpa h GLU 381 N 0.17 0.79 -0.61 0.04 5.08 -1.83 0.54 114.58 118.76 3hpa h GLU 381 Ca 0.03 -0.62 -0.02 0.00 -1.00 0.00 0.00 59.36 57.75 3hpa h GLU 381 Cb 0.48 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.83 3hpa h GLU 381 CO 0.03 1.23 0.28 0.00 -1.00 0.00 0.00 179.01 179.55 3hpa h ALA 382 N 0.56 1.36 -0.34 3.43 0.00 -0.94 -0.09 119.26 123.24 3hpa h ALA 382 Ca -0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.60 3hpa h ALA 382 Cb 1.34 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 3hpa h ALA 382 CO 0.15 0.50 -0.35 1.25 0.00 0.00 0.00 179.25 180.80 3hpa h LEU 383 N 0.86 0.89 -0.70 0.00 5.85 -0.96 -2.14 115.31 119.11 3hpa h LEU 383 Ca 0.21 -0.47 -0.05 0.00 0.84 0.00 0.00 57.88 58.41 3hpa h LEU 383 Cb 0.10 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.85 3hpa h LEU 383 CO -0.03 1.18 0.25 -0.08 -0.34 0.00 0.00 178.44 179.42 3hpa h GLU 384 N 0.62 1.06 -0.60 1.25 4.81 -0.38 -0.53 114.58 120.80 3hpa h GLU 384 Ca 0.05 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3hpa h GLU 384 Cb 0.93 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 30.12 3hpa h GLU 384 CO 0.09 0.90 0.39 0.82 -0.73 0.00 0.00 179.01 180.47 3hpa h ILE 385 N 1.01 1.16 0.00 2.32 2.04 -0.94 -0.52 117.51 122.58 3hpa h ILE 385 Ca 0.23 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3hpa h ILE 385 Cb 0.26 0.29 0.00 0.00 -0.74 0.00 0.00 36.82 36.63 3hpa h ILE 385 CO -0.01 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.30 3hpa h ALA 386 N 1.21 1.00 -3.00 1.87 0.00 -0.76 -2.70 119.26 116.88 3hpa h ALA 386 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hpa h ALA 386 Cb -0.07 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3hpa h ALA 386 CO -0.05 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.45 3hpa n THR 387 N -2.48 0.00 -0.25 0.00 -2.24 -0.27 -1.10 114.28 107.95 3hpa n THR 387 Ca 0.02 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.79 3hpa n THR 387 Cb 0.28 -0.49 0.11 0.00 -2.10 0.00 0.00 70.33 68.13 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 0.61 -1.37 3.22 3.38 -1.35 -2.20 115.31 117.60 3hpa h LEU 388 Ca 0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.02 3hpa h LEU 388 Cb 0.00 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 3hpa h LEU 388 CO 0.00 0.39 0.45 1.23 0.09 0.00 0.00 178.44 180.60 3hpa h GLY 389 N 0.75 0.93 1.03 0.83 0.00 -1.15 -0.30 103.07 105.16 3hpa h GLY 389 Ca 0.32 -0.33 -0.13 0.00 0.00 0.00 0.00 47.33 47.18 3hpa h GLY 389 CO -0.18 0.30 -0.32 -1.33 0.00 0.00 0.00 176.54 175.01 3hpa h GLY 390 N 0.84 0.87 0.68 4.60 0.00 -1.07 -0.67 103.07 108.32 3hpa h GLY 390 Ca 0.27 -0.88 0.02 0.00 0.00 0.00 0.00 47.33 46.73 3hpa h GLY 390 CO -0.07 0.80 -0.16 0.00 0.00 0.00 0.00 176.54 177.10 3hpa h ALA 391 N 0.73 -0.25 -0.03 3.60 0.00 -0.81 -1.01 119.26 121.49 3hpa h ALA 391 Ca 0.05 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3hpa h ALA 391 Cb 0.90 0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3hpa h ALA 391 CO 0.08 -0.68 -0.05 0.87 0.00 0.00 0.00 179.25 179.48 3hpa h LYS 392 N -0.31 -0.07 -0.08 0.00 1.79 -1.03 0.17 116.57 117.05 3hpa h LYS 392 Ca 0.03 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.53 3hpa h LYS 392 Cb 0.34 0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3hpa h LYS 392 CO -0.11 -0.04 0.06 0.28 -1.08 0.00 0.00 179.45 178.56 3hpa h VAL 393 N -0.07 0.91 0.00 0.50 2.07 -0.94 0.14 116.25 118.85 3hpa h VAL 393 Ca 0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.55 3hpa h VAL 393 Cb 0.11 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 3hpa h VAL 393 CO -0.07 0.00 -0.52 0.18 0.02 0.00 0.00 177.57 177.18 3hpa n LEU 394 N -4.44 0.53 -1.90 2.57 4.32 -0.40 -4.59 117.00 113.08 3hpa n LEU 394 Ca -0.01 0.10 -0.07 0.00 -0.02 0.00 0.00 56.01 56.01 3hpa n LEU 394 Cb 0.17 -0.24 0.03 0.00 -1.62 0.00 0.00 43.42 41.76 3hpa n LEU 394 CO 0.34 0.06 0.06 -3.20 -1.22 0.00 0.00 177.39 173.42 3hpa n ASN 395 N -1.69 -2.44 -4.09 -1.43 4.05 0.47 -4.96 115.26 105.19 3hpa n ASN 395 Ca 0.05 -0.24 -0.21 0.00 0.45 0.00 0.00 54.58 54.63 3hpa n ASN 395 Cb 0.37 -2.32 -0.15 0.00 1.23 0.00 0.00 39.78 38.91 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 -4.78 1.03 -0.11 1.20 0.52 0.39 -5.00 118.95 112.20 3hpa s ARG 396 Ca 0.06 -0.46 0.16 0.00 -0.52 0.00 0.00 55.73 54.97 3hpa s ARG 396 Cb -0.03 -1.00 0.24 0.00 0.52 0.00 0.00 34.95 34.69 3hpa s ARG 396 CO 0.29 0.27 1.12 -0.40 0.02 0.00 0.00 175.30 176.61 3hpa n ASP 397 N 2.76 2.16 -0.13 0.23 5.75 -1.26 -3.96 116.55 122.09 3hpa n ASP 397 Ca -0.14 -2.91 0.06 0.00 -0.01 0.00 0.00 54.79 51.79 3hpa n ASP 397 Cb 0.56 -0.37 -0.04 0.00 -1.03 0.00 0.00 41.12 40.23 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 -1.26 0.95 -4.48 -1.12 5.75 -1.26 -5.01 116.55 110.13 3hpa n ASP 398 Ca 0.13 -0.98 -0.23 0.00 -0.01 0.00 0.00 54.79 53.71 3hpa n ASP 398 Cb 0.61 0.76 -0.11 0.00 -1.03 0.00 0.00 41.12 41.35 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 -1.90 1.47 0.00 2.12 -4.36 -1.26 0.09 121.20 117.35 3hpa s ILE 399 Ca 0.07 -2.03 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 3hpa s ILE 399 Cb 0.10 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 41.06 3hpa s ILE 399 CO 0.42 -0.08 0.00 0.61 0.24 0.00 0.00 174.94 176.13 3hpa n GLY 400 N -0.72 0.53 3.46 6.27 0.00 -1.26 -4.79 105.19 108.68 3hpa n GLY 400 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.19 -1.43 -0.89 4.61 0.00 -1.26 -3.96 121.76 116.65 3hpa s ALA 401 Ca 0.00 1.43 -0.18 0.00 0.00 0.00 0.00 51.96 53.22 3hpa s ALA 401 Cb 0.00 -0.65 0.15 0.00 0.00 0.00 0.00 23.12 22.62 3hpa s ALA 401 CO 0.00 -0.29 1.02 -0.51 0.00 0.00 0.00 175.76 175.97 3hpa s LEU 402 N -0.17 5.48 0.17 0.00 2.01 0.19 -4.77 118.68 121.58 3hpa s LEU 402 Ca -0.04 -2.16 -0.17 0.00 0.01 0.00 0.00 54.13 51.78 3hpa s LEU 402 Cb -0.03 -2.35 0.03 0.00 0.01 0.00 0.00 46.19 43.85 3hpa s LEU 402 CO 0.03 -0.95 0.46 -1.59 1.01 0.00 0.00 176.35 175.31 3hpa s LYS 403 N 2.08 1.25 0.05 1.70 -2.85 -1.26 -4.68 119.74 116.03 3hpa s LYS 403 Ca 0.28 -0.81 -0.36 0.00 -1.00 0.00 0.00 55.97 54.08 3hpa s LYS 403 Cb -0.07 0.49 -0.15 0.00 -2.06 0.00 0.00 37.83 36.04 3hpa s LYS 403 CO -0.08 -0.51 1.53 -2.30 0.10 0.00 0.00 175.35 174.09 3hpa n PRO 404 N -0.29 1.62 -0.47 1.78 -0.02 -1.26 -2.15 135.00 134.21 3hpa n PRO 404 Ca -0.12 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3hpa n PRO 404 Cb 0.63 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 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 3.25 0.74 4.00 -1.23 0.00 0.26 -4.97 105.19 107.24 3hpa n GLY 405 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.53 2.82 0.25 1.61 -1.94 -0.91 -4.85 119.30 115.75 3hpa s MET 406 Ca 0.00 -1.06 -0.30 0.00 -1.71 0.00 0.00 55.69 52.63 3hpa s MET 406 Cb 0.00 -2.70 -0.09 0.00 2.01 0.00 0.00 34.83 34.05 3hpa s MET 406 CO 0.00 -0.32 1.27 0.00 -0.01 0.00 0.00 175.02 175.96 3hpa s ALA 407 N -2.43 3.49 -0.92 3.03 0.00 0.11 -1.49 121.76 123.55 3hpa s ALA 407 Ca 0.54 1.11 -0.21 0.00 0.00 0.00 0.00 51.96 53.39 3hpa s ALA 407 Cb -0.10 -3.45 -0.12 0.00 0.00 0.00 0.00 23.12 19.45 3hpa s ALA 407 CO 0.34 -0.49 1.96 0.00 0.00 0.00 0.00 175.76 177.57 3hpa n ALA 408 N 1.82 3.47 -4.01 0.00 0.00 -0.47 -4.74 120.51 116.58 3hpa n ALA 408 Ca 0.03 -3.38 -0.31 0.00 0.00 0.00 0.00 53.44 49.78 3hpa n ALA 408 Cb 0.43 -3.61 -0.16 0.00 0.00 0.00 0.00 19.45 16.11 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 4.89 3.50 0.14 0.00 1.11 -1.26 -0.87 116.67 124.17 3hpa s ASP 409 Ca 0.57 -0.93 -0.10 0.00 0.18 0.00 0.00 52.55 52.27 3hpa s ASP 409 Cb 0.13 -1.28 -0.00 0.00 1.07 0.00 0.00 42.92 42.83 3hpa s ASP 409 CO 0.09 -0.14 0.28 0.72 1.18 0.00 0.00 175.17 177.30 3hpa s PHE 410 N 1.36 0.26 0.13 4.23 -0.12 -0.60 -1.88 117.98 121.36 3hpa s PHE 410 Ca -0.02 -0.64 0.09 0.00 -0.05 0.00 0.00 56.93 56.32 3hpa s PHE 410 Cb -0.16 -0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 3hpa s PHE 410 CO -0.08 -0.68 -0.22 0.00 -0.05 0.00 0.00 175.22 174.19 3hpa s ALA 411 N -3.92 2.04 -0.04 1.99 0.00 0.42 -1.07 121.76 121.19 3hpa s ALA 411 Ca 0.12 -1.38 0.01 0.00 0.00 0.00 0.00 51.96 50.71 3hpa s ALA 411 Cb 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.90 3hpa s ALA 411 CO -0.04 0.38 -0.06 0.00 0.00 0.00 0.00 175.76 176.04 3hpa s ALA 412 N -1.38 0.70 -0.03 0.00 0.00 0.26 -0.82 121.76 120.49 3hpa s ALA 412 Ca 0.11 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 52.02 3hpa s ALA 412 Cb -0.09 -0.37 -0.02 0.00 0.00 0.00 0.00 23.12 22.64 3hpa s ALA 412 CO 0.06 0.04 -0.24 -0.06 0.00 0.00 0.00 175.76 175.56 3hpa s PHE 413 N 0.64 2.40 -0.51 0.00 0.40 0.37 0.13 117.98 121.41 3hpa s PHE 413 Ca -0.09 -0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 55.59 3hpa s PHE 413 Cb -0.12 -1.52 0.03 0.00 0.51 0.00 0.00 43.02 41.92 3hpa s PHE 413 CO 0.00 0.00 1.02 0.34 0.70 0.00 0.00 175.22 177.28 3hpa s ASP 414 N -0.63 6.47 0.00 1.36 3.68 -1.26 -0.66 116.67 125.63 3hpa s ASP 414 Ca 0.10 0.06 0.21 0.00 2.13 0.00 0.00 52.55 55.05 3hpa s ASP 414 Cb -0.10 -2.49 1.23 0.00 -1.45 0.00 0.00 42.92 40.11 3hpa s ASP 414 CO -0.01 -1.22 1.61 0.18 0.13 0.00 0.00 175.17 175.87 3hpa n LEU 415 N 7.62 0.00 -0.37 -1.34 4.77 -0.27 -2.81 117.00 124.60 3hpa n LEU 415 Ca 0.07 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.18 3hpa n LEU 415 Cb 0.48 -0.00 0.41 0.00 -2.33 0.00 0.00 43.42 41.98 3hpa n LEU 415 CO 0.67 -0.00 0.72 0.54 -1.33 0.00 0.00 177.39 177.99 3hpa n ARG 416 N -1.00 1.23 -2.22 3.23 1.74 -1.26 -4.70 116.66 113.68 3hpa n ARG 416 Ca 0.15 -0.75 -0.35 0.00 -0.77 0.00 0.00 57.85 56.13 3hpa n ARG 416 Cb 0.07 -1.48 0.01 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 -2.29 3.30 0.50 5.56 -0.21 -1.12 -4.92 119.66 120.48 3hpa s GLN 417 Ca 0.29 1.62 0.21 0.00 0.02 0.00 0.00 55.36 57.50 3hpa s GLN 417 Cb 0.20 -2.00 1.27 0.00 1.00 0.00 0.00 33.01 33.48 3hpa s GLN 417 CO 0.44 -0.89 1.99 -1.35 -2.12 0.00 0.00 175.29 173.37 3hpa h PRO 418 N 1.12 0.13 0.00 2.91 0.11 -1.93 -1.49 132.00 132.86 3hpa h PRO 418 Ca -0.50 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 3hpa h PRO 418 Cb 1.26 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.34 3hpa h PRO 418 CO 0.57 0.09 -0.22 1.37 -0.21 0.00 0.00 178.00 179.59 3hpa h LEU 419 N 0.14 0.00 -0.52 2.35 8.10 -1.96 -2.22 115.31 121.20 3hpa h LEU 419 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.24 3hpa h LEU 419 Cb 0.82 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 41.04 3hpa h LEU 419 CO -0.03 0.22 -0.43 0.49 -4.11 0.00 0.00 178.44 174.58 3hpa n PHE 420 N -3.91 0.00 -1.68 0.17 3.01 -0.58 -4.61 117.46 109.86 3hpa n PHE 420 Ca -0.02 0.00 -0.45 0.00 1.01 0.00 0.00 57.45 57.99 3hpa n PHE 420 Cb 0.31 -0.09 -0.04 0.00 -0.01 0.00 0.00 39.48 39.65 3hpa n PHE 420 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3hpa n ALA 421 N -0.67 1.53 -0.47 4.37 0.00 -0.84 -1.19 120.51 123.24 3hpa n ALA 421 Ca 0.10 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.86 3hpa n ALA 421 Cb 0.38 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.31 3hpa n ALA 421 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hpa n GLY 422 N 4.15 1.03 0.68 0.00 0.00 -1.26 -4.88 105.19 104.90 3hpa n GLY 422 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.28 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 -0.32 2.42 1.63 4.61 0.00 -0.33 -4.64 120.51 123.89 3hpa n ALA 423 Ca 0.00 -1.52 0.01 0.00 0.00 0.00 0.00 53.44 51.93 3hpa n ALA 423 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 19.45 19.00 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 0.12 0.00 0.20 0.00 4.77 -1.25 -3.03 117.00 117.81 3hpa n LEU 424 Ca 0.14 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.19 3hpa n LEU 424 Cb 0.57 0.00 0.42 0.00 -2.33 0.00 0.00 43.42 42.08 3hpa n LEU 424 CO 0.10 0.00 0.75 0.45 -1.33 0.00 0.00 177.39 177.36 3hpa h HIS 425 N 0.00 0.00 -1.02 -1.77 3.86 -1.95 -3.37 115.15 110.90 3hpa h HIS 425 Ca 0.00 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.98 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 0.32 -0.57 -3.47 0.86 0.00 0.00 177.93 175.06 3hpa n ASP 426 N -3.62 -2.86 -0.33 2.45 -0.08 -1.17 -5.03 116.55 105.91 3hpa n ASP 426 Ca -0.01 -2.91 0.18 0.00 -1.51 0.00 0.00 54.79 50.54 3hpa n ASP 426 Cb 0.44 1.40 0.39 0.00 2.34 0.00 0.00 41.12 45.69 3hpa n ASP 426 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3hpa h PRO 427 N 4.86 0.40 -0.18 -0.67 0.11 -1.73 0.26 132.00 135.04 3hpa h PRO 427 Ca 0.05 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.15 3hpa h PRO 427 Cb 1.06 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.06 3hpa h PRO 427 CO 0.13 0.26 0.05 0.28 -0.21 0.00 0.00 178.00 178.52 3hpa h VAL 428 N 0.41 0.95 -0.29 3.15 2.07 -1.96 -2.43 116.25 118.15 3hpa h VAL 428 Ca 0.65 -0.05 -0.14 0.00 0.82 0.00 0.00 66.70 67.98 3hpa h VAL 428 Cb 1.34 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.89 3hpa h VAL 428 CO -0.56 0.02 -0.38 0.00 0.02 0.00 0.00 177.57 176.68 3hpa h ALA 429 N 1.12 0.79 -0.55 1.67 0.00 -1.43 -3.03 119.26 117.82 3hpa h ALA 429 Ca 0.08 -0.44 0.10 0.00 0.00 0.00 0.00 54.91 54.66 3hpa h ALA 429 Cb 0.05 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 3hpa h ALA 429 CO -0.09 0.65 0.37 0.00 0.00 0.00 0.00 179.25 180.19 3hpa h ALA 430 N 1.02 2.12 -0.45 0.00 0.00 -0.66 -0.11 119.26 121.18 3hpa h ALA 430 Ca 0.05 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.06 3hpa h ALA 430 Cb 0.90 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 3hpa h ALA 430 CO 0.08 -0.25 0.32 1.25 0.00 0.00 0.00 179.25 180.65 3hpa h LEU 431 N 0.30 0.10 0.04 0.00 5.85 -1.32 -0.60 115.31 119.67 3hpa h LEU 431 Ca 0.25 0.00 -0.37 0.00 0.84 0.00 0.00 57.88 58.60 3hpa h LEU 431 Cb 0.61 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.57 3hpa h LEU 431 CO -0.06 0.06 -2.27 0.52 -0.34 0.00 0.00 178.44 176.35 3hpa n VAL 432 N -4.43 1.58 0.15 1.05 0.31 -0.15 -4.53 118.33 112.31 3hpa n VAL 432 Ca 0.07 -0.65 0.02 0.00 -0.01 0.00 0.00 64.34 63.78 3hpa n VAL 432 Cb 0.45 -1.38 0.17 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.71 3.52 -1.00 -1.09 -3.43 116.94 112.26 3hpa h PHE 433 Ca -0.51 0.00 -0.46 0.00 2.81 0.00 0.00 57.97 59.81 3hpa h PHE 433 Cb 1.99 0.00 0.10 0.00 3.61 0.00 0.00 35.95 41.65 3hpa h PHE 433 CO 0.04 0.53 0.18 0.00 -1.61 0.00 0.00 178.31 177.45 3hpa n ALA 435 N -3.03 2.02 -1.69 0.00 0.00 -1.26 -4.85 120.51 111.70 3hpa n ALA 435 Ca 0.14 0.25 -0.44 0.00 0.00 0.00 0.00 53.44 53.39 3hpa n ALA 435 Cb 0.60 -2.39 -0.04 0.00 0.00 0.00 0.00 19.45 17.63 3hpa n ALA 435 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3hpa n PRO 436 N -0.18 2.50 -3.92 0.00 -0.04 -1.26 -4.99 135.00 127.11 3hpa n PRO 436 Ca 0.05 0.90 -0.32 0.00 -0.04 0.00 0.00 63.50 64.10 3hpa n PRO 436 Cb 0.41 -2.73 -0.04 0.00 -0.04 0.00 0.00 33.50 31.10 3hpa n PRO 436 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3hpa s SER 437 N 1.63 6.34 0.65 3.54 0.15 -1.26 -4.97 113.70 119.79 3hpa s SER 437 Ca 0.79 0.29 -0.09 0.00 0.70 0.00 0.00 55.95 57.64 3hpa s SER 437 Cb -0.58 -1.97 0.01 0.00 -1.71 0.00 0.00 66.02 61.77 3hpa s SER 437 CO 0.37 0.21 1.02 -1.10 1.20 0.00 0.00 173.24 174.93 3hpa s GLN 438 N -2.28 2.97 0.55 5.44 -1.52 -1.26 -4.82 119.66 118.74 3hpa s GLN 438 Ca 0.32 0.32 -0.05 0.00 -1.95 0.00 0.00 55.36 54.01 3hpa s GLN 438 Cb -0.13 -2.12 0.00 0.00 -0.22 0.00 0.00 33.01 30.54 3hpa s GLN 438 CO 0.24 -0.86 0.85 0.95 -0.25 0.00 0.00 175.29 176.22 3hpa s THR 439 N -3.20 3.89 -0.21 -0.19 -4.23 -0.90 -4.72 115.64 106.07 3hpa s THR 439 Ca 0.56 -0.05 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 3hpa s THR 439 Cb -0.11 -3.52 -0.20 0.00 1.34 0.00 0.00 72.50 70.01 3hpa s THR 439 CO 0.50 -0.50 -0.02 0.00 -0.54 0.00 0.00 174.62 174.06 3hpa n ALA 440 N -2.46 1.23 -2.85 3.99 0.00 0.12 -3.99 120.51 116.56 3hpa n ALA 440 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 53.44 52.41 3hpa n ALA 440 Cb 0.57 -0.31 -0.14 0.00 0.00 0.00 0.00 19.45 19.57 3hpa n ALA 440 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3hpa s TYR 441 N -2.53 0.24 -0.10 0.00 2.02 -1.18 0.37 117.35 116.17 3hpa s TYR 441 Ca -0.31 -0.04 -0.01 0.00 -0.37 0.00 0.00 57.07 56.35 3hpa s TYR 441 Cb 0.08 -0.16 0.03 0.00 -0.40 0.00 0.00 41.96 41.51 3hpa s TYR 441 CO 0.66 -0.01 -0.05 0.99 -1.57 0.00 0.00 175.55 175.57 3hpa s THR 442 N -0.02 0.81 -0.10 -0.71 2.01 -0.91 -0.58 115.64 116.15 3hpa s THR 442 Ca 0.01 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.87 3hpa s THR 442 Cb -0.01 -0.87 -0.01 0.00 0.01 0.00 0.00 72.50 71.61 3hpa s THR 442 CO -0.00 0.33 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.39 3hpa s VAL 443 N 1.72 2.70 -0.08 3.82 1.01 -0.23 -0.74 120.40 128.60 3hpa s VAL 443 Ca 0.04 -0.81 0.01 0.00 0.00 0.00 0.00 61.98 61.22 3hpa s VAL 443 Cb -0.13 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.19 3hpa s VAL 443 CO -0.07 0.55 -0.07 -0.69 0.00 0.00 0.00 175.10 174.82 3hpa s VAL 444 N 0.09 0.89 -1.43 2.92 1.01 -0.03 -1.56 120.40 122.28 3hpa s VAL 444 Ca -0.08 -0.26 -0.06 0.00 0.00 0.00 0.00 61.98 61.58 3hpa s VAL 444 Cb -0.15 -0.89 0.01 0.00 0.00 0.00 0.00 36.38 35.35 3hpa s VAL 444 CO 0.05 0.32 0.73 -3.20 0.00 0.00 0.00 175.10 173.01 3hpa n ASN 445 N 4.46 -6.01 0.00 3.32 4.05 -0.67 -1.22 115.26 119.18 3hpa n ASN 445 Ca -0.17 -0.34 0.00 0.00 0.45 0.00 0.00 54.58 54.52 3hpa n ASN 445 Cb 0.51 -4.78 0.00 0.00 1.23 0.00 0.00 39.78 36.74 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 -1.62 0.69 3.48 8.20 0.00 -0.05 -4.14 105.19 111.75 3hpa n GLY 446 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.27 3.35 -0.28 1.61 2.20 -0.36 -4.92 119.74 121.07 3hpa s LYS 447 Ca 0.00 -0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 54.75 3hpa s LYS 447 Cb 0.00 -2.75 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 3hpa s LYS 447 CO 0.00 0.34 1.56 0.08 -0.36 0.00 0.00 175.35 176.97 3hpa s VAL 448 N 0.05 3.77 -0.21 4.02 1.01 -1.26 -0.85 120.40 126.93 3hpa s VAL 448 Ca -0.02 0.84 0.15 0.00 0.00 0.00 0.00 61.98 62.95 3hpa s VAL 448 Cb -0.14 -3.85 -0.24 0.00 0.00 0.00 0.00 36.38 32.15 3hpa s VAL 448 CO 0.03 -0.42 0.03 0.52 0.00 0.00 0.00 175.10 175.27 3hpa n VAL 449 N 6.65 1.41 -4.74 2.92 0.31 0.08 -4.69 118.33 120.28 3hpa n VAL 449 Ca 0.18 -0.81 -0.30 0.00 -0.01 0.00 0.00 64.34 63.40 3hpa n VAL 449 Cb 0.46 -0.64 -0.17 0.00 -0.91 0.00 0.00 33.84 32.58 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 -2.50 1.81 -0.13 2.52 1.01 -0.88 -0.24 120.40 121.99 3hpa s VAL 450 Ca -0.14 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 60.99 3hpa s VAL 450 Cb 0.07 -1.60 0.02 0.00 0.00 0.00 0.00 36.38 34.86 3hpa s VAL 450 CO 0.79 0.50 -0.11 -0.60 0.00 0.00 0.00 175.10 175.68 3hpa s ARG 451 N 0.73 1.93 -1.37 2.72 3.52 0.20 -2.14 118.95 124.54 3hpa s ARG 451 Ca -0.11 -0.42 -0.09 0.00 -0.13 0.00 0.00 55.73 54.98 3hpa s ARG 451 Cb -0.16 -1.83 0.06 0.00 -1.56 0.00 0.00 34.95 31.46 3hpa s ARG 451 CO 0.01 -0.23 0.57 0.39 -0.81 0.00 0.00 175.30 175.24 3hpa n GLU 452 N 4.77 -3.91 -0.74 5.12 1.02 0.16 -0.48 120.64 126.57 3hpa n GLU 452 Ca -0.15 0.57 0.00 0.00 -0.02 0.00 0.00 57.16 57.56 3hpa n GLU 452 Cb 0.50 -5.33 0.00 0.00 -0.02 0.00 0.00 31.44 26.59 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 -1.30 0.85 3.59 0.62 0.00 -0.45 -4.98 105.19 103.51 3hpa n GLY 453 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.26 2.35 -0.07 1.61 0.52 0.36 -5.03 118.95 118.44 3hpa s ARG 454 Ca 0.00 -0.87 -0.30 0.00 -0.52 0.00 0.00 55.73 54.04 3hpa s ARG 454 Cb 0.00 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 3hpa s ARG 454 CO 0.00 0.55 1.36 -1.17 0.02 0.00 0.00 175.30 176.06 3hpa s LEU 455 N -1.81 4.27 -0.00 2.53 2.96 -1.26 0.61 118.68 125.98 3hpa s LEU 455 Ca 0.19 1.95 0.20 0.00 -0.22 0.00 0.00 54.13 56.25 3hpa s LEU 455 Cb -0.11 -3.55 -0.22 0.00 0.50 0.00 0.00 46.19 42.80 3hpa s LEU 455 CO 0.11 -0.73 0.82 0.00 -1.32 0.00 0.00 176.35 175.23 3hpa n ALA 456 N 5.93 4.48 1.15 5.97 0.00 0.66 -4.30 120.51 134.40 3hpa n ALA 456 Ca 0.13 -0.56 0.13 0.00 0.00 0.00 0.00 53.44 53.14 3hpa n ALA 456 Cb 0.44 -0.73 0.40 0.00 0.00 0.00 0.00 19.45 19.57 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 -1.53 0.00 -3.59 0.00 -2.24 -1.25 -4.96 114.28 100.72 3hpa n THR 457 Ca 0.03 -0.05 -0.05 0.00 -2.27 0.00 0.00 64.05 61.72 3hpa n THR 457 Cb 0.33 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.68 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 -2.76 -0.16 -0.83 3.22 0.05 -1.26 -4.85 118.68 112.09 3hpa s LEU 458 Ca 0.19 -0.01 -0.26 0.00 0.05 0.00 0.00 54.13 54.09 3hpa s LEU 458 Cb 0.19 1.48 0.03 0.00 -2.05 0.00 0.00 46.19 45.84 3hpa s LEU 458 CO 0.59 -0.30 1.38 -0.62 -0.55 0.00 0.00 176.35 176.85 3hpa s ASP 459 N -2.28 6.20 0.07 1.48 2.15 -1.26 -4.78 116.67 118.25 3hpa s ASP 459 Ca 0.09 -0.73 -0.23 0.00 0.43 0.00 0.00 52.55 52.11 3hpa s ASP 459 Cb -0.01 -2.56 -0.14 0.00 -0.30 0.00 0.00 42.92 39.91 3hpa s ASP 459 CO -0.05 -1.79 1.64 0.25 -0.17 0.00 0.00 175.17 175.06 3hpa h LEU 460 N 13.25 0.06 -0.91 -1.34 5.85 -1.99 -3.34 115.31 126.90 3hpa h LEU 460 Ca -0.12 -0.11 0.18 0.00 0.84 0.00 0.00 57.88 58.67 3hpa h LEU 460 Cb 1.04 -0.02 -0.17 0.00 0.37 0.00 0.00 40.66 41.88 3hpa h LEU 460 CO 1.32 0.16 -0.24 -0.65 -0.34 0.00 0.00 178.44 178.69 3hpa h PRO 461 N -0.04 -0.01 0.00 5.25 0.11 -2.00 0.31 132.00 135.64 3hpa h PRO 461 Ca 0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.11 3hpa h PRO 461 Cb 0.11 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.22 3hpa h PRO 461 CO -0.00 -0.00 -0.10 -1.00 -0.21 0.00 0.00 178.00 176.68 3hpa h PRO 462 N -0.01 0.00 -0.04 1.05 0.13 -2.00 -0.74 132.00 130.39 3hpa h PRO 462 Ca 0.42 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.52 3hpa h PRO 462 Cb 0.66 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.79 3hpa h PRO 462 CO -0.93 0.10 -0.11 0.28 -0.23 0.00 0.00 178.00 177.11 3hpa h VAL 463 N 0.00 1.45 0.00 1.56 2.07 -0.55 -2.00 116.25 118.78 3hpa h VAL 463 Ca -0.00 -1.49 -0.09 0.00 0.82 0.00 0.00 66.70 65.94 3hpa h VAL 463 Cb 0.30 2.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.40 3hpa h VAL 463 CO 0.01 0.41 -0.42 0.16 0.02 0.00 0.00 177.57 177.75 3hpa h ILE 464 N -0.40 1.30 -0.51 4.57 -0.00 -1.13 0.18 117.51 121.52 3hpa h ILE 464 Ca -0.00 -1.45 -0.03 0.00 -0.00 0.00 0.00 64.86 63.38 3hpa h ILE 464 Cb 0.72 1.78 -0.02 0.00 -0.00 0.00 0.00 36.82 39.30 3hpa h ILE 464 CO 0.02 0.41 0.21 -0.08 -0.00 0.00 0.00 178.15 178.72 3hpa h GLU 465 N 0.00 0.76 -0.43 0.16 4.81 -1.10 -1.41 114.58 117.37 3hpa h GLU 465 Ca -0.00 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 3hpa h GLU 465 Cb 0.75 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 3hpa h GLU 465 CO 0.05 0.67 -0.14 -0.09 -0.73 0.00 0.00 179.01 178.77 3hpa h ARG 466 N 0.68 0.86 -0.38 1.92 9.65 -0.79 -2.71 114.38 123.61 3hpa h ARG 466 Ca 0.17 -0.35 0.08 0.00 -1.10 0.00 0.00 59.98 58.78 3hpa h ARG 466 Cb 0.19 -0.04 -0.08 0.00 -1.39 0.00 0.00 29.97 28.64 3hpa h ARG 466 CO -0.01 0.99 -0.19 1.25 2.80 0.00 0.00 179.97 184.80 3hpa h HIS 467 N 0.69 -0.48 -0.11 2.20 2.76 -0.31 0.11 115.15 120.00 3hpa h HIS 467 Ca 0.11 0.04 -0.08 0.00 -2.20 0.00 0.00 60.37 58.24 3hpa h HIS 467 Cb 0.69 0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.91 3hpa h HIS 467 CO 0.05 -0.27 -0.30 -0.91 -1.30 0.00 0.00 177.93 175.20 3hpa h ASN 468 N -0.13 0.21 -0.20 3.26 2.35 -1.17 0.27 115.58 120.18 3hpa h ASN 468 Ca 0.19 -0.07 -0.17 0.00 -0.55 0.00 0.00 56.30 55.70 3hpa h ASN 468 Cb 0.42 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3hpa h ASN 468 CO -0.46 0.51 -0.55 0.00 -1.65 0.00 0.00 177.43 175.28 3hpa h ALA 469 N 1.51 0.33 -0.42 -0.83 0.00 -1.05 -1.62 119.26 117.19 3hpa h ALA 469 Ca 0.03 -0.51 -0.04 0.00 0.00 0.00 0.00 54.91 54.38 3hpa h ALA 469 Cb 0.63 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 3hpa h ALA 469 CO 0.05 0.54 0.11 -0.07 0.00 0.00 0.00 179.25 179.88 3hpa h LEU 470 N 0.43 0.63 -0.26 0.00 3.38 -0.50 -0.29 115.31 118.70 3hpa h LEU 470 Ca -0.01 -0.23 0.06 0.00 0.09 0.00 0.00 57.88 57.79 3hpa h LEU 470 Cb 1.16 -0.17 -0.06 0.00 0.09 0.00 0.00 40.66 41.69 3hpa h LEU 470 CO 0.12 0.69 -0.10 0.00 0.09 0.00 0.00 178.44 179.24 3hpa h ALA 471 N 0.96 0.13 -0.19 1.53 0.00 -0.40 0.32 119.26 121.61 3hpa h ALA 471 Ca 0.13 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3hpa h ALA 471 Cb 0.30 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3hpa h ALA 471 CO 0.00 -0.50 0.12 1.25 0.00 0.00 0.00 179.25 180.12 3hpa h HIS 472 N -0.05 0.23 0.00 0.00 -0.00 -1.02 -1.52 115.15 112.79 3hpa h HIS 472 Ca 0.13 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 3hpa h HIS 472 Cb 0.25 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 3hpa h HIS 472 CO -0.29 0.14 0.00 0.00 -0.00 0.00 0.00 177.93 177.79 3hpa h ALA 473 N 1.07 1.00 -0.01 5.26 0.00 -0.36 -0.15 119.26 126.07 3hpa h ALA 473 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 3hpa h ALA 473 Cb -0.03 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.77 3hpa h ALA 473 CO -0.02 0.00 -0.07 1.25 0.00 0.00 0.00 179.25 180.42 3hpa h LEU 474 N 0.00 0.07 -0.95 0.00 5.85 0.63 -2.65 115.31 118.26 3hpa h LEU 474 Ca 0.00 -0.73 -0.09 0.00 0.84 0.00 0.00 57.88 57.90 3hpa h LEU 474 Cb 0.21 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 3hpa h LEU 474 CO 0.00 0.79 -0.41 0.58 -0.34 0.00 0.00 178.44 179.06 3hpa h VAL 475 N -0.64 1.00 -0.58 1.05 2.07 -1.01 -2.91 116.25 115.23 3hpa h VAL 475 Ca -0.01 -1.59 -0.08 0.00 0.82 0.00 0.00 66.70 65.84 3hpa h VAL 475 Cb 0.79 1.94 -0.02 0.00 -1.52 0.00 0.00 31.29 32.48 3hpa h VAL 475 CO 0.01 0.41 0.03 -0.08 0.02 0.00 0.00 177.57 177.96 3hpa h GLU 476 N 0.00 0.99 -0.33 1.57 4.22 -1.06 -2.42 114.58 117.55 3hpa h GLU 476 Ca -0.00 -0.30 -0.02 0.00 0.08 0.00 0.00 59.36 59.11 3hpa h GLU 476 Cb 0.91 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3hpa h GLU 476 CO 0.05 0.97 0.12 0.00 -2.18 0.00 0.00 179.01 177.98 3hpa h ALA 477 N 0.98 0.43 0.00 2.92 0.00 -1.31 -2.51 119.26 119.77 3hpa h ALA 477 Ca 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3hpa h ALA 477 Cb 0.50 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3hpa h ALA 477 CO 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 179.25 179.30 3hpa h ALA 478 N 0.96 1.48 -0.00 0.00 0.00 -1.34 -3.52 119.26 116.85 3hpa h ALA 478 Ca 0.11 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3hpa h ALA 478 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hpa h ALA 478 CO -0.01 0.02 0.00 0.54 0.00 0.00 0.00 179.25 179.80