#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dwt s PRO 45 N 0.00 2.73 0.03 3.23 0.02 -1.26 -4.81 135.00 134.94 2dwt s PRO 45 Ca 0.00 1.74 0.06 0.00 0.02 0.00 0.00 61.00 62.82 2dwt s PRO 45 Cb 0.00 -1.91 -0.03 0.00 0.02 0.00 0.00 34.50 32.58 2dwt s PRO 45 CO 0.00 -1.37 -0.15 1.03 -0.33 0.00 0.00 177.00 176.18 2dwt s ARG 46 N -3.60 2.21 -0.07 5.54 0.52 -1.26 -0.43 118.95 121.86 2dwt s ARG 46 Ca 0.75 -0.91 -0.00 0.00 -0.52 0.00 0.00 55.73 55.05 2dwt s ARG 46 Cb -0.28 -2.28 0.02 0.00 0.52 0.00 0.00 34.95 32.93 2dwt s ARG 46 CO 0.37 0.56 -0.04 0.08 0.02 0.00 0.00 175.30 176.30 2dwt s VAL 47 N -0.95 0.59 0.18 3.52 1.01 0.14 -4.92 120.40 119.96 2dwt s VAL 47 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 61.98 62.03 2dwt s VAL 47 Cb -0.11 -0.66 -0.05 0.00 0.00 0.00 0.00 36.38 35.56 2dwt s VAL 47 CO 0.06 0.27 0.40 -0.75 0.00 0.00 0.00 175.10 175.09 2dwt s LYS 48 N 1.46 3.60 0.03 2.72 2.20 -1.26 -0.33 119.74 128.16 2dwt s LYS 48 Ca -0.02 -0.13 0.03 0.00 -0.36 0.00 0.00 55.97 55.49 2dwt s LYS 48 Cb -0.13 -2.82 -0.02 0.00 -1.51 0.00 0.00 37.83 33.35 2dwt s LYS 48 CO -0.03 0.42 -0.11 -1.01 -0.36 0.00 0.00 175.35 174.26 2dwt s HIS 49 N -1.76 0.93 -0.28 4.03 3.76 -0.93 -4.90 115.29 116.13 2dwt s HIS 49 Ca 0.41 -0.32 -0.04 0.00 -0.15 0.00 0.00 55.06 54.95 2dwt s HIS 49 Cb -0.12 -0.56 0.02 0.00 1.11 0.00 0.00 32.58 33.04 2dwt s HIS 49 CO 0.26 -0.01 0.02 0.99 -0.85 0.00 0.00 174.74 175.16 2dwt s THR 50 N -0.78 3.44 0.32 1.30 2.01 -1.26 -4.71 115.64 115.96 2dwt s THR 50 Ca -0.01 -0.91 -0.28 0.00 0.31 0.00 0.00 61.69 60.80 2dwt s THR 50 Cb -0.07 -2.79 -0.10 0.00 0.01 0.00 0.00 72.50 69.55 2dwt s THR 50 CO 0.01 0.09 1.18 -0.76 -0.69 0.00 0.00 174.62 174.45 2dwt s LEU 51 N 1.40 4.45 -0.09 4.42 1.43 -1.26 -4.72 118.68 124.31 2dwt s LEU 51 Ca 0.01 2.42 -0.01 0.00 -1.03 0.00 0.00 54.13 55.52 2dwt s LEU 51 Cb -0.17 -3.70 -0.03 0.00 0.03 0.00 0.00 46.19 42.31 2dwt s LEU 51 CO -0.01 -0.36 -0.03 0.68 0.23 0.00 0.00 176.35 176.87 2dwt s VAL 52 N -1.20 4.07 0.66 -1.59 -7.23 -1.26 -5.00 120.40 108.85 2dwt s VAL 52 Ca 0.48 -0.34 -0.17 0.00 -1.81 0.00 0.00 61.98 60.14 2dwt s VAL 52 Cb -0.34 -2.70 -0.00 0.00 0.56 0.00 0.00 36.38 33.89 2dwt s VAL 52 CO 0.45 0.59 1.25 -2.84 -0.31 0.00 0.00 175.10 174.24 2dwt s PRO 53 N -0.74 2.53 0.80 4.82 0.02 -1.26 -4.42 135.00 136.74 2dwt s PRO 53 Ca 0.11 1.94 -0.12 0.00 0.02 0.00 0.00 61.00 62.95 2dwt s PRO 53 Cb -0.11 -1.86 0.08 0.00 0.02 0.00 0.00 34.50 32.62 2dwt s PRO 53 CO 0.02 -1.58 1.16 -1.25 -0.33 0.00 0.00 177.00 175.01 2dwt s PRO 54 N -3.51 1.82 0.00 5.54 0.04 -1.26 -2.51 135.00 135.12 2dwt s PRO 54 Ca 0.79 1.55 0.05 0.00 0.04 0.00 0.00 61.00 63.43 2dwt s PRO 54 Cb -0.34 -1.82 0.17 0.00 0.04 0.00 0.00 34.50 32.55 2dwt s PRO 54 CO 0.40 -2.03 1.13 -0.35 0.04 0.00 0.00 177.00 176.18 2dwt n PRO 55 N -3.37 1.23 -2.36 0.56 -0.04 -1.26 -5.02 135.00 124.74 2dwt n PRO 55 Ca 0.12 -0.36 -0.25 0.00 -0.04 0.00 0.00 63.50 62.97 2dwt n PRO 55 Cb 0.51 -1.10 0.12 0.00 -0.04 0.00 0.00 33.50 33.00 2dwt n PRO 55 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 2dwt s PHE 56 N -1.87 1.83 -0.01 0.54 0.08 -1.04 -0.46 117.98 117.05 2dwt s PHE 56 Ca 0.09 -0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.16 2dwt s PHE 56 Cb 0.04 -3.32 -0.01 0.00 -0.57 0.00 0.00 43.02 39.17 2dwt s PHE 56 CO 0.06 -1.89 -0.08 0.00 -0.10 0.00 0.00 175.22 173.22 2dwt s ALA 57 N -3.34 0.66 0.99 5.36 0.00 -1.26 -4.66 121.76 119.51 2dwt s ALA 57 Ca 0.67 -0.34 -0.12 0.00 0.00 0.00 0.00 51.96 52.17 2dwt s ALA 57 Cb -0.06 -0.17 0.18 0.00 0.00 0.00 0.00 23.12 23.08 2dwt s ALA 57 CO 0.46 0.16 1.08 -3.38 0.00 0.00 0.00 175.76 174.09 2dwt s HIS 58 N -0.18 1.86 0.52 0.00 -3.43 -1.26 -4.88 115.29 107.92 2dwt s HIS 58 Ca 0.03 1.32 -0.20 0.00 -0.80 0.00 0.00 55.06 55.41 2dwt s HIS 58 Cb -0.03 -3.18 -0.06 0.00 -1.43 0.00 0.00 32.58 27.87 2dwt s HIS 58 CO -0.00 -2.98 1.12 0.00 -2.00 0.00 0.00 174.74 170.88 2dwt s ALA 59 N -2.73 2.76 0.14 -1.38 0.00 -1.26 -4.98 121.76 114.30 2dwt s ALA 59 Ca 0.66 0.81 -0.25 0.00 0.00 0.00 0.00 51.96 53.18 2dwt s ALA 59 Cb -0.21 -3.35 0.07 0.00 0.00 0.00 0.00 23.12 19.63 2dwt s ALA 59 CO 0.60 -0.69 0.86 -3.38 0.00 0.00 0.00 175.76 173.15 2dwt s HIS 60 N -1.77 -0.24 0.04 0.00 -3.43 -1.26 -5.03 115.29 103.60 2dwt s HIS 60 Ca 0.71 -0.04 0.04 0.00 -0.80 0.00 0.00 55.06 54.96 2dwt s HIS 60 Cb -0.23 0.62 -0.04 0.00 -1.43 0.00 0.00 32.58 31.50 2dwt s HIS 60 CO 0.27 -0.83 -0.03 -1.21 -2.00 0.00 0.00 174.74 170.94 2dwt s GLU 61 N -3.40 2.56 -0.05 -0.38 0.41 -1.26 -5.04 118.70 111.54 2dwt s GLU 61 Ca 0.09 -0.76 -0.21 0.00 -0.41 0.00 0.00 54.97 53.68 2dwt s GLU 61 Cb -0.02 -2.53 -0.15 0.00 -1.78 0.00 0.00 34.13 29.64 2dwt s GLU 61 CO -0.01 0.58 0.85 1.96 -0.49 0.00 0.00 175.26 178.15 2dwt h GLN 62 N 4.08 -0.21 -6.17 1.61 4.20 -1.97 -3.42 115.11 113.24 2dwt h GLN 62 Ca -0.48 0.01 -0.55 0.00 0.06 0.00 0.00 58.65 57.69 2dwt h GLN 62 Cb 1.17 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.95 2dwt h GLN 62 CO 0.56 0.22 0.10 0.08 -0.67 0.00 0.00 178.83 179.13 2dwt s VAL 63 N -3.36 4.88 0.17 -0.54 1.01 -1.26 -3.49 120.40 117.81 2dwt s VAL 63 Ca -0.12 1.50 -0.32 0.00 0.00 0.00 0.00 61.98 63.04 2dwt s VAL 63 Cb 0.00 -4.06 -0.11 0.00 0.00 0.00 0.00 36.38 32.22 2dwt s VAL 63 CO 0.47 0.33 1.74 0.00 0.00 0.00 0.00 175.10 177.64 2dwt s ALA 64 N 0.23 3.86 0.07 5.51 0.00 0.26 -4.90 121.76 126.78 2dwt s ALA 64 Ca 0.37 1.51 -0.23 0.00 0.00 0.00 0.00 51.96 53.61 2dwt s ALA 64 Cb -0.19 -3.71 -0.14 0.00 0.00 0.00 0.00 23.12 19.08 2dwt s ALA 64 CO 0.20 -1.01 1.61 0.00 0.00 0.00 0.00 175.76 176.56 2dwt h ALA 65 N 7.45 0.09 -4.37 0.00 0.00 -1.90 -3.47 119.26 117.04 2dwt h ALA 65 Ca -0.44 -0.09 -0.10 0.00 0.00 0.00 0.00 54.91 54.28 2dwt h ALA 65 Cb 1.21 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2dwt h ALA 65 CO 0.95 -0.33 -0.04 -1.13 0.00 0.00 0.00 179.25 178.70 2dwt n SER 66 N -4.95 1.12 -3.91 0.00 3.41 -1.26 -5.15 113.62 102.88 2dwt n SER 66 Ca -0.06 -1.34 -0.30 0.00 -0.26 0.00 0.00 58.87 56.91 2dwt n SER 66 Cb 0.11 -0.02 0.22 0.00 -0.26 0.00 0.00 64.21 64.25 2dwt n SER 66 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dwt s GLY 67 N -2.11 1.74 0.24 5.00 0.00 -1.26 -4.98 107.32 105.95 2dwt s GLY 67 Ca 0.07 -1.21 -0.28 0.00 0.00 0.00 0.00 44.72 43.30 2dwt s GLY 67 CO 0.04 -0.36 0.75 -1.05 0.00 0.00 0.00 173.10 172.49 2dwt n PRO 68 N -4.15 0.64 -4.43 2.90 -0.02 -1.26 -5.00 135.00 123.68 2dwt n PRO 68 Ca 0.16 0.22 -0.22 0.00 -2.02 0.00 0.00 63.50 61.64 2dwt n PRO 68 Cb 0.59 -1.40 -0.09 0.00 -0.02 0.00 0.00 33.50 32.58 2dwt n PRO 68 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2dwt s VAL 69 N -1.03 0.64 -0.26 -1.45 -7.23 -1.26 -4.54 120.40 105.27 2dwt s VAL 69 Ca 0.61 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.71 2dwt s VAL 69 Cb -0.82 -2.52 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 2dwt s VAL 69 CO 0.58 0.00 0.08 -0.63 -0.31 0.00 0.00 175.10 174.82 2dwt s ILE 70 N -3.40 4.33 -0.27 -0.62 1.01 0.43 -1.89 121.20 120.79 2dwt s ILE 70 Ca 0.31 -0.26 -0.16 0.00 0.00 0.00 0.00 60.65 60.55 2dwt s ILE 70 Cb 0.05 -3.07 -0.03 0.00 0.01 0.00 0.00 42.46 39.41 2dwt s ILE 70 CO 0.16 0.27 0.41 0.20 0.00 0.00 0.00 174.94 175.98 2dwt s ASN 71 N 1.61 6.29 -0.21 3.58 0.01 -0.16 -0.69 114.94 125.37 2dwt s ASN 71 Ca 0.06 0.34 -0.09 0.00 -0.71 0.00 0.00 52.86 52.45 2dwt s ASN 71 Cb -0.16 -2.23 -0.04 0.00 0.41 0.00 0.00 41.25 39.23 2dwt s ASN 71 CO 0.04 -0.21 0.11 -1.61 -1.51 0.00 0.00 177.10 173.91 2dwt s GLU 72 N 2.13 4.03 0.17 -0.60 2.02 0.55 0.04 118.70 127.04 2dwt s GLU 72 Ca 0.16 -0.30 0.07 0.00 0.02 0.00 0.00 54.97 54.92 2dwt s GLU 72 Cb -0.16 -3.37 -0.04 0.00 0.10 0.00 0.00 34.13 30.66 2dwt s GLU 72 CO 0.10 0.18 -0.14 -0.06 0.02 0.00 0.00 175.26 175.36 2dwt s PHE 73 N 0.67 1.57 -0.01 1.61 0.08 -0.58 -2.19 117.98 119.13 2dwt s PHE 73 Ca 0.06 -0.59 0.01 0.00 0.12 0.00 0.00 56.93 56.53 2dwt s PHE 73 Cb -0.13 -0.77 0.01 0.00 -0.57 0.00 0.00 43.02 41.56 2dwt s PHE 73 CO 0.01 0.26 -0.02 -2.00 -0.10 0.00 0.00 175.22 173.37 2dwt s GLU 74 N -3.33 0.25 0.05 0.44 2.12 -1.26 -1.72 118.70 115.24 2dwt s GLU 74 Ca 0.17 -0.05 0.01 0.00 0.36 0.00 0.00 54.97 55.47 2dwt s GLU 74 Cb -0.02 -0.29 -0.03 0.00 0.26 0.00 0.00 34.13 34.05 2dwt s GLU 74 CO 0.05 0.00 -0.06 -1.64 -0.54 0.00 0.00 175.26 173.07 2dwt s MET 75 N 0.25 0.55 -0.12 4.30 -1.94 -0.47 -4.92 119.30 116.95 2dwt s MET 75 Ca -0.02 -0.89 0.02 0.00 -1.71 0.00 0.00 55.69 53.09 2dwt s MET 75 Cb -0.05 -0.14 -0.00 0.00 2.01 0.00 0.00 34.83 36.65 2dwt s MET 75 CO -0.01 0.00 -0.20 0.50 -0.01 0.00 0.00 175.02 175.30 2dwt s ARG 76 N -2.24 3.13 0.03 2.03 3.52 -1.26 -1.96 118.95 122.19 2dwt s ARG 76 Ca -0.05 -0.82 -0.30 0.00 -0.13 0.00 0.00 55.73 54.43 2dwt s ARG 76 Cb -0.05 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.85 2dwt s ARG 76 CO -0.02 0.12 1.12 0.42 -0.81 0.00 0.00 175.30 176.13 2dwt s ILE 77 N 0.52 4.35 -0.16 4.11 1.01 0.42 -0.05 121.20 131.39 2dwt s ILE 77 Ca -0.13 1.68 -0.00 0.00 0.00 0.00 0.00 60.65 62.20 2dwt s ILE 77 Cb -0.17 -4.08 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2dwt s ILE 77 CO 0.05 0.11 -0.06 -0.63 0.00 0.00 0.00 174.94 174.41 2dwt s ILE 78 N 1.18 1.17 -0.15 2.92 1.01 -0.63 -4.27 121.20 122.44 2dwt s ILE 78 Ca 0.56 -0.64 -0.17 0.00 0.00 0.00 0.00 60.65 60.40 2dwt s ILE 78 Cb -0.26 -1.32 -0.04 0.00 0.01 0.00 0.00 42.46 40.85 2dwt s ILE 78 CO 0.28 0.17 0.45 -1.61 0.00 0.00 0.00 174.94 174.23 2dwt s GLU 79 N 1.61 4.29 -0.11 2.79 2.02 -1.26 -1.77 118.70 126.27 2dwt s GLU 79 Ca 0.01 0.37 -0.30 0.00 0.02 0.00 0.00 54.97 55.07 2dwt s GLU 79 Cb -0.15 -3.47 0.11 0.00 0.10 0.00 0.00 34.13 30.72 2dwt s GLU 79 CO -0.08 0.09 0.89 -1.59 0.02 0.00 0.00 175.26 174.59 2dwt s LYS 80 N 0.86 0.76 0.06 1.61 -2.85 -0.82 -5.00 119.74 114.35 2dwt s LYS 80 Ca 0.24 0.13 -0.30 0.00 -1.00 0.00 0.00 55.97 55.03 2dwt s LYS 80 Cb -0.15 0.36 -0.05 0.00 -2.06 0.00 0.00 37.83 35.92 2dwt s LYS 80 CO 0.09 -0.25 1.16 -2.00 0.10 0.00 0.00 175.35 174.45 2dwt s GLU 81 N -1.35 4.46 0.27 1.78 2.12 -1.26 -0.64 118.70 124.08 2dwt s GLU 81 Ca -0.04 1.71 0.11 0.00 0.36 0.00 0.00 54.97 57.11 2dwt s GLU 81 Cb -0.00 -3.36 -0.05 0.00 0.26 0.00 0.00 34.13 30.98 2dwt s GLU 81 CO 0.03 -0.20 -0.08 0.14 -0.54 0.00 0.00 175.26 174.60 2dwt s VAL 82 N 0.98 3.05 -0.32 3.70 -7.23 0.04 -4.91 120.40 115.71 2dwt s VAL 82 Ca 0.57 -2.11 -0.12 0.00 -1.81 0.00 0.00 61.98 58.51 2dwt s VAL 82 Cb -0.28 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.01 2dwt s VAL 82 CO 0.29 -0.38 0.21 -1.58 -0.31 0.00 0.00 175.10 173.34 2dwt s GLN 83 N -3.61 3.61 0.06 4.82 0.74 -1.26 -1.21 119.66 122.81 2dwt s GLN 83 Ca 0.31 -0.56 -0.00 0.00 0.05 0.00 0.00 55.36 55.16 2dwt s GLN 83 Cb -0.06 -3.73 -0.26 0.00 1.10 0.00 0.00 33.01 30.06 2dwt s GLN 83 CO 0.18 -0.36 1.07 -0.07 -0.55 0.00 0.00 175.29 175.56 2dwt h LEU 84 N 8.44 0.29 -7.91 3.68 3.38 -0.66 -3.44 115.31 119.09 2dwt h LEU 84 Ca -0.33 -0.35 0.09 0.00 0.09 0.00 0.00 57.88 57.38 2dwt h LEU 84 Cb 1.17 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.78 2dwt h LEU 84 CO 0.61 1.28 0.36 -0.62 0.09 0.00 0.00 178.44 180.15 2dwt s ASP 85 N -6.94 -0.13 0.22 -0.43 2.15 -0.85 0.40 116.67 111.09 2dwt s ASP 85 Ca -0.04 -0.71 -0.15 0.00 0.43 0.00 0.00 52.55 52.08 2dwt s ASP 85 Cb 0.08 0.67 0.26 0.00 -0.30 0.00 0.00 42.92 43.63 2dwt s ASP 85 CO 0.86 -1.28 1.59 -0.08 -0.17 0.00 0.00 175.17 176.09 2dwt h GLU 86 N 2.00 -0.05 -0.39 4.34 4.81 -1.96 -1.52 114.58 121.80 2dwt h GLU 86 Ca -0.25 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 58.89 2dwt h GLU 86 Cb 1.24 0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.57 2dwt h GLU 86 CO 0.30 -0.03 0.04 -0.40 -0.73 0.00 0.00 179.01 178.20 2dwt n ASP 87 N -5.49 3.77 -3.68 1.04 5.75 -1.26 -4.99 116.55 111.69 2dwt n ASP 87 Ca 0.09 -3.25 -0.11 0.00 -0.01 0.00 0.00 54.79 51.51 2dwt n ASP 87 Cb 0.39 -0.61 -0.11 0.00 -1.03 0.00 0.00 41.12 39.75 2dwt n ASP 87 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2dwt s ALA 88 N -2.97 -0.90 0.19 2.12 0.00 -0.57 -4.49 121.76 115.14 2dwt s ALA 88 Ca 0.46 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.81 2dwt s ALA 88 Cb 0.38 -1.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.42 2dwt s ALA 88 CO 0.08 -0.50 -0.17 0.71 0.00 0.00 0.00 175.76 175.87 2dwt s TYR 89 N 2.01 1.84 -0.05 0.00 1.51 -1.26 0.02 117.35 121.42 2dwt s TYR 89 Ca -0.04 -0.49 0.01 0.00 -1.01 0.00 0.00 57.07 55.54 2dwt s TYR 89 Cb -0.11 -0.88 0.02 0.00 -0.11 0.00 0.00 41.96 40.88 2dwt s TYR 89 CO -0.11 0.39 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.48 2dwt s LEU 90 N -3.00 1.44 -0.93 -1.29 2.96 -0.35 -4.87 118.68 112.64 2dwt s LEU 90 Ca 0.20 -0.19 -0.24 0.00 -0.22 0.00 0.00 54.13 53.67 2dwt s LEU 90 Cb -0.04 -0.59 -0.05 0.00 0.50 0.00 0.00 46.19 46.01 2dwt s LEU 90 CO 0.08 -0.03 1.95 -1.10 -1.32 0.00 0.00 176.35 175.93 2dwt s GLN 91 N 0.85 2.55 0.52 1.98 -1.52 -1.26 -0.78 119.66 122.00 2dwt s GLN 91 Ca -0.12 -0.39 -0.11 0.00 -1.95 0.00 0.00 55.36 52.80 2dwt s GLN 91 Cb -0.15 -5.08 -0.05 0.00 -0.22 0.00 0.00 33.01 27.51 2dwt s GLN 91 CO 0.01 -3.45 0.91 0.00 -0.25 0.00 0.00 175.29 172.51 2dwt s ALA 92 N 10.20 3.22 -0.14 6.09 0.00 0.18 -4.82 121.76 136.49 2dwt s ALA 92 Ca 0.70 -0.16 -0.03 0.00 0.00 0.00 0.00 51.96 52.47 2dwt s ALA 92 Cb -0.06 -2.89 0.05 0.00 0.00 0.00 0.00 23.12 20.21 2dwt s ALA 92 CO 0.01 -0.39 0.04 -1.64 0.00 0.00 0.00 175.76 173.78 2dwt s MET 93 N -4.59 0.50 0.20 0.00 -1.94 -0.08 -1.94 119.30 111.44 2dwt s MET 93 Ca 0.53 -0.15 0.10 0.00 -1.71 0.00 0.00 55.69 54.46 2dwt s MET 93 Cb -0.10 -1.62 -0.04 0.00 2.01 0.00 0.00 34.83 35.07 2dwt s MET 93 CO 0.43 -0.52 -0.19 0.95 -0.01 0.00 0.00 175.02 175.67 2dwt s THR 94 N 1.96 2.05 -0.34 2.05 -4.23 -0.73 -1.58 115.64 114.82 2dwt s THR 94 Ca 0.02 -2.07 -0.17 0.00 -1.18 0.00 0.00 61.69 58.29 2dwt s THR 94 Cb -0.15 -2.01 -0.01 0.00 1.34 0.00 0.00 72.50 71.67 2dwt s THR 94 CO -0.07 -0.32 0.48 -0.36 -0.54 0.00 0.00 174.62 173.81 2dwt s PHE 95 N -2.15 3.19 -1.50 3.99 0.08 -1.26 -1.61 117.98 118.73 2dwt s PHE 95 Ca 0.20 0.17 0.00 0.00 0.12 0.00 0.00 56.93 57.42 2dwt s PHE 95 Cb -0.06 -2.85 0.00 0.00 -0.57 0.00 0.00 43.02 39.55 2dwt s PHE 95 CO 0.09 -0.49 0.00 -0.25 -0.10 0.00 0.00 175.22 174.47 2dwt n ASP 96 N 5.64 -5.05 0.00 1.36 9.92 0.93 -3.31 116.55 126.03 2dwt n ASP 96 Ca -0.06 0.01 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2dwt n ASP 96 Cb 0.49 -4.14 0.00 0.00 -0.64 0.00 0.00 41.12 36.83 2dwt n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dwt n GLY 97 N -1.01 1.80 3.60 0.44 0.00 -1.26 -4.98 105.19 103.79 2dwt n GLY 97 Ca -0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.51 2dwt n GLY 97 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dwt s SER 98 N -3.30 4.62 -0.29 1.61 1.04 -1.21 -5.01 113.70 111.17 2dwt s SER 98 Ca 0.00 -0.22 -0.07 0.00 0.48 0.00 0.00 55.95 56.14 2dwt s SER 98 Cb 0.00 -1.03 -0.00 0.00 0.10 0.00 0.00 66.02 65.09 2dwt s SER 98 CO 0.00 0.24 0.09 -0.63 0.98 0.00 0.00 173.24 173.91 2dwt s ILE 99 N -1.11 4.10 1.05 -1.02 1.01 -1.26 -2.77 121.20 121.21 2dwt s ILE 99 Ca 0.20 -0.55 -0.15 0.00 0.00 0.00 0.00 60.65 60.14 2dwt s ILE 99 Cb -0.11 -3.07 0.22 0.00 0.01 0.00 0.00 42.46 39.51 2dwt s ILE 99 CO 0.11 0.13 1.13 -2.16 0.00 0.00 0.00 174.94 174.16 2dwt s PRO 100 N 1.54 -0.03 0.70 2.79 0.04 -1.26 -2.05 135.00 136.72 2dwt s PRO 100 Ca 0.04 0.14 -0.15 0.00 0.04 0.00 0.00 61.00 61.06 2dwt s PRO 100 Cb -0.17 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.68 2dwt s PRO 100 CO 0.03 -2.96 1.18 0.20 0.04 0.00 0.00 177.00 175.49 2dwt s GLY 101 N -3.91 2.31 0.73 0.56 0.00 -0.25 -4.72 107.32 102.04 2dwt s GLY 101 Ca 0.68 0.79 -0.16 0.00 0.00 0.00 0.00 44.72 46.03 2dwt s GLY 101 CO 0.56 1.18 1.16 -1.55 0.00 0.00 0.00 173.10 174.44 2dwt n PRO 102 N -2.58 0.57 -2.40 2.90 -0.04 -1.26 -4.04 135.00 128.15 2dwt n PRO 102 Ca 0.13 0.26 -0.42 0.00 -0.04 0.00 0.00 63.50 63.42 2dwt n PRO 102 Cb 0.51 -2.40 -0.03 0.00 -0.04 0.00 0.00 33.50 31.54 2dwt n PRO 102 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2dwt s LEU 103 N -4.47 4.31 -0.13 1.53 2.96 -1.26 -4.16 118.68 117.47 2dwt s LEU 103 Ca 0.76 1.93 -0.05 0.00 -0.22 0.00 0.00 54.13 56.55 2dwt s LEU 103 Cb -0.34 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.75 2dwt s LEU 103 CO 0.47 -0.58 0.06 -0.04 -1.32 0.00 0.00 176.35 174.94 2dwt s MET 104 N 1.96 3.46 -0.05 1.98 -1.94 -1.09 -4.51 119.30 119.11 2dwt s MET 104 Ca 0.58 -0.30 0.06 0.00 -1.71 0.00 0.00 55.69 54.32 2dwt s MET 104 Cb -0.27 -3.06 -0.01 0.00 2.01 0.00 0.00 34.83 33.50 2dwt s MET 104 CO 0.25 0.59 -0.23 0.42 -0.01 0.00 0.00 175.02 176.04 2dwt s ILE 105 N -0.52 1.86 0.34 2.53 1.01 -1.26 0.22 121.20 125.38 2dwt s ILE 105 Ca 0.10 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.80 2dwt s ILE 105 Cb -0.12 -1.58 -0.01 0.00 0.01 0.00 0.00 42.46 40.76 2dwt s ILE 105 CO 0.02 0.52 0.40 0.68 0.00 0.00 0.00 174.94 176.56 2dwt s VAL 106 N -0.14 0.00 0.08 2.92 -7.23 -0.54 -4.98 120.40 110.51 2dwt s VAL 106 Ca -0.03 -1.75 0.05 0.00 -1.81 0.00 0.00 61.98 58.45 2dwt s VAL 106 Cb -0.13 -2.59 -0.04 0.00 0.56 0.00 0.00 36.38 34.18 2dwt s VAL 106 CO 0.03 0.00 -0.05 -1.00 -0.31 0.00 0.00 175.10 173.77 2dwt s HIS 107 N -3.20 2.87 0.12 2.82 3.76 -1.26 -1.09 115.29 119.32 2dwt s HIS 107 Ca 0.34 -0.08 -0.35 0.00 -0.15 0.00 0.00 55.06 54.82 2dwt s HIS 107 Cb 0.01 -1.51 -0.16 0.00 1.11 0.00 0.00 32.58 32.04 2dwt s HIS 107 CO 0.23 0.44 1.42 -1.91 -0.85 0.00 0.00 174.74 174.07 2dwt n GLU 108 N 0.76 1.55 -0.39 1.40 2.13 -0.21 -0.77 120.64 125.10 2dwt n GLU 108 Ca -0.12 0.56 0.00 0.00 0.66 0.00 0.00 57.16 58.25 2dwt n GLU 108 Cb 0.52 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.99 2dwt n GLU 108 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dwt n GLY 109 N 2.81 1.72 3.63 8.31 0.00 0.15 -4.58 105.19 117.23 2dwt n GLY 109 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 2dwt n GLY 109 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dwt s ASP 110 N -3.33 1.38 0.24 1.61 1.01 0.05 -4.71 116.67 112.91 2dwt s ASP 110 Ca 0.00 0.72 0.10 0.00 0.71 0.00 0.00 52.55 54.09 2dwt s ASP 110 Cb 0.00 -1.05 -0.05 0.00 1.01 0.00 0.00 42.92 42.84 2dwt s ASP 110 CO 0.00 -3.85 -0.12 -0.31 0.21 0.00 0.00 175.17 171.10 2dwt s TYR 111 N -3.05 2.50 -0.09 4.23 1.51 -0.79 -1.16 117.35 120.50 2dwt s TYR 111 Ca 0.70 -0.27 0.01 0.00 -1.01 0.00 0.00 57.07 56.50 2dwt s TYR 111 Cb -0.11 -1.14 0.02 0.00 -0.11 0.00 0.00 41.96 40.61 2dwt s TYR 111 CO 0.56 0.62 -0.12 0.08 -1.11 0.00 0.00 175.55 175.58 2dwt s VAL 112 N -2.18 1.17 -0.19 0.71 1.01 0.19 -0.99 120.40 120.12 2dwt s VAL 112 Ca 0.28 -0.46 -0.00 0.00 0.00 0.00 0.00 61.98 61.80 2dwt s VAL 112 Cb -0.07 -1.10 0.05 0.00 0.00 0.00 0.00 36.38 35.26 2dwt s VAL 112 CO 0.16 0.37 -0.05 -0.70 0.00 0.00 0.00 175.10 174.88 2dwt s GLU 113 N 1.00 1.52 -0.10 2.72 2.12 0.11 -1.46 118.70 124.61 2dwt s GLU 113 Ca -0.08 -0.70 0.03 0.00 0.36 0.00 0.00 54.97 54.58 2dwt s GLU 113 Cb -0.15 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.99 2dwt s GLU 113 CO -0.00 -0.50 -0.20 -1.17 -0.54 0.00 0.00 175.26 172.85 2dwt s LEU 114 N 1.55 2.31 -0.32 2.70 2.96 0.01 -1.53 118.68 126.35 2dwt s LEU 114 Ca -0.02 -0.47 -0.14 0.00 -0.22 0.00 0.00 54.13 53.28 2dwt s LEU 114 Cb -0.17 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.03 2dwt s LEU 114 CO -0.07 0.18 0.33 -0.89 -1.32 0.00 0.00 176.35 174.57 2dwt s THR 115 N 0.25 5.20 -0.11 3.68 2.01 -0.70 -1.37 115.64 124.61 2dwt s THR 115 Ca -0.14 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.00 2dwt s THR 115 Cb -0.17 -3.74 -0.02 0.00 0.01 0.00 0.00 72.50 68.58 2dwt s THR 115 CO 0.07 0.02 -0.10 -0.22 -0.69 0.00 0.00 174.62 173.70 2dwt s LEU 116 N 1.96 2.93 -0.06 4.42 2.96 -0.53 -1.37 118.68 128.99 2dwt s LEU 116 Ca 0.11 -0.21 0.03 0.00 -0.22 0.00 0.00 54.13 53.85 2dwt s LEU 116 Cb -0.16 -1.66 0.01 0.00 0.50 0.00 0.00 46.19 44.88 2dwt s LEU 116 CO 0.11 0.23 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.59 2dwt s ILE 117 N -0.02 1.28 -0.50 6.68 1.01 -0.83 -1.47 121.20 127.36 2dwt s ILE 117 Ca -0.02 -0.59 0.02 0.00 0.00 0.00 0.00 60.65 60.06 2dwt s ILE 117 Cb -0.14 -1.14 0.13 0.00 0.01 0.00 0.00 42.46 41.32 2dwt s ILE 117 CO 0.04 0.38 0.25 0.21 0.00 0.00 0.00 174.94 175.82 2dwt s ASN 118 N 0.42 4.69 0.55 3.58 3.84 -0.51 -0.44 114.94 127.07 2dwt s ASN 118 Ca -0.11 -2.73 -0.20 0.00 0.21 0.00 0.00 52.86 50.03 2dwt s ASN 118 Cb -0.14 -1.70 -0.06 0.00 -0.55 0.00 0.00 41.25 38.79 2dwt s ASN 118 CO 0.04 -0.32 0.99 -2.65 -2.79 0.00 0.00 177.10 172.36 2dwt n PRO 119 N 3.54 1.07 0.23 0.43 -0.02 -1.26 0.12 135.00 139.11 2dwt n PRO 119 Ca 0.05 0.40 0.16 0.00 -2.02 0.00 0.00 63.50 62.09 2dwt n PRO 119 Cb 0.36 -2.15 0.76 0.00 -0.02 0.00 0.00 33.50 32.45 2dwt n PRO 119 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 2dwt h PRO 120 N 0.82 0.00 0.00 0.52 0.13 -1.92 -1.93 132.00 129.62 2dwt h PRO 120 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 2dwt h PRO 120 Cb 1.35 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.48 2dwt h PRO 120 CO 0.53 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.45 2dwt n GLU 121 N -2.71 0.25 -1.55 0.86 0.00 -1.26 -4.75 120.64 111.48 2dwt n GLU 121 Ca -0.00 0.31 -0.33 0.00 0.00 0.00 0.00 57.16 57.14 2dwt n GLU 121 Cb 0.17 -1.85 0.07 0.00 0.00 0.00 0.00 31.44 29.83 2dwt n GLU 121 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 2dwt s ASN 122 N -4.48 4.69 0.00 -1.84 0.01 -0.72 -4.99 114.94 107.61 2dwt s ASN 122 Ca 0.08 2.06 0.13 0.00 -0.71 0.00 0.00 52.86 54.41 2dwt s ASN 122 Cb 0.11 -2.56 -0.06 0.00 0.41 0.00 0.00 41.25 39.15 2dwt s ASN 122 CO 0.52 -1.91 0.64 0.35 -1.51 0.00 0.00 177.10 175.18 2dwt n THR 123 N -2.75 0.00 -4.42 1.60 -2.24 -1.26 -4.72 114.28 100.48 2dwt n THR 123 Ca 0.11 -0.30 -0.26 0.00 -2.27 0.00 0.00 64.05 61.33 2dwt n THR 123 Cb 0.52 1.08 -0.13 0.00 -2.10 0.00 0.00 70.33 69.70 2dwt n THR 123 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 2dwt s MET 124 N -1.85 1.31 0.85 -0.78 -1.94 -1.26 -4.95 119.30 110.68 2dwt s MET 124 Ca 0.08 -1.19 -0.11 0.00 -1.71 0.00 0.00 55.69 52.77 2dwt s MET 124 Cb 0.10 -1.62 0.10 0.00 2.01 0.00 0.00 34.83 35.42 2dwt s MET 124 CO 0.40 0.39 1.10 -2.14 -0.01 0.00 0.00 175.02 174.76 2dwt s PRO 125 N -1.80 1.60 0.20 2.03 0.02 -1.26 -4.07 135.00 131.72 2dwt s PRO 125 Ca 0.09 1.15 -0.21 0.00 0.02 0.00 0.00 61.00 62.05 2dwt s PRO 125 Cb -0.10 -1.82 0.05 0.00 0.02 0.00 0.00 34.50 32.65 2dwt s PRO 125 CO 0.04 -2.10 0.62 -1.01 -0.33 0.00 0.00 177.00 174.22 2dwt s HIS 126 N -2.84 -0.37 0.00 6.54 3.76 -0.90 -4.97 115.29 116.52 2dwt s HIS 126 Ca 0.63 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 55.61 2dwt s HIS 126 Cb -0.19 0.57 0.00 0.00 1.11 0.00 0.00 32.58 34.07 2dwt s HIS 126 CO 0.57 -0.97 0.00 0.27 -0.85 0.00 0.00 174.74 173.76 2dwt n ASN 127 N -0.39 0.00 -3.73 1.40 6.94 -1.26 -0.90 115.26 117.31 2dwt n ASN 127 Ca -0.12 -0.69 -0.12 0.00 -0.02 0.00 0.00 54.58 53.62 2dwt n ASN 127 Cb 0.63 0.00 -0.12 0.00 -2.36 0.00 0.00 39.78 37.93 2dwt n ASN 127 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2dwt s ILE 128 N -2.91 -0.02 -0.25 1.53 2.07 -1.26 -4.23 121.20 116.13 2dwt s ILE 128 Ca 0.00 0.08 -0.02 0.00 -1.41 0.00 0.00 60.65 59.30 2dwt s ILE 128 Cb 0.00 -0.46 0.02 0.00 0.13 0.00 0.00 42.46 42.16 2dwt s ILE 128 CO 0.00 0.03 -0.05 -0.62 -1.91 0.00 0.00 174.94 172.39 2dwt s ASP 129 N 0.93 4.36 -0.19 4.50 2.15 0.12 -1.67 116.67 126.87 2dwt s ASP 129 Ca -0.06 -0.84 -0.15 0.00 0.43 0.00 0.00 52.55 51.92 2dwt s ASP 129 Cb -0.07 -1.68 -0.04 0.00 -0.30 0.00 0.00 42.92 40.83 2dwt s ASP 129 CO -0.07 -0.13 0.36 -0.36 -0.17 0.00 0.00 175.17 174.81 2dwt s PHE 130 N 1.34 3.40 -0.93 -5.34 0.08 0.19 -1.29 117.98 115.43 2dwt s PHE 130 Ca 0.01 0.60 0.26 0.00 0.12 0.00 0.00 56.93 57.92 2dwt s PHE 130 Cb -0.17 -2.47 1.06 0.00 -0.57 0.00 0.00 43.02 40.88 2dwt s PHE 130 CO -0.04 0.06 1.82 0.72 -0.10 0.00 0.00 175.22 177.68 2dwt n HIS 131 N 4.23 0.19 0.49 0.36 8.25 -0.52 -2.32 115.22 125.91 2dwt n HIS 131 Ca -0.09 0.06 0.13 0.00 -0.26 0.00 0.00 57.72 57.55 2dwt n HIS 131 Cb 0.51 -0.60 0.44 0.00 1.12 0.00 0.00 29.99 31.47 2dwt n HIS 131 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2dwt h ALA 132 N 2.81 1.00 -2.72 -1.41 0.00 -1.91 -3.47 119.26 113.56 2dwt h ALA 132 Ca 0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 2dwt h ALA 132 Cb 0.50 0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.22 2dwt h ALA 132 CO 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 179.25 178.69 2dwt s ALA 133 N -3.22 3.59 -0.27 0.00 0.00 -0.98 -4.51 121.76 116.37 2dwt s ALA 133 Ca 0.07 -1.19 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 2dwt s ALA 133 Cb 0.10 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.86 2dwt s ALA 133 CO 0.52 0.52 -0.02 0.99 0.00 0.00 0.00 175.76 177.77 2dwt s THR 134 N -1.73 3.13 0.00 0.00 2.01 -1.26 -4.64 115.64 113.15 2dwt s THR 134 Ca 0.31 -1.00 0.00 0.00 0.31 0.00 0.00 61.69 61.31 2dwt s THR 134 Cb -0.10 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.79 2dwt s THR 134 CO 0.24 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.91 2dwt n GLY 135 N 4.71 2.88 4.02 4.40 0.00 -1.26 -4.94 105.19 114.99 2dwt n GLY 135 Ca -0.16 -1.97 -0.31 0.00 0.00 0.00 0.00 46.02 43.58 2dwt n GLY 135 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt n ALA 136 N -0.11 -1.39 -3.69 4.61 0.00 -1.26 -1.56 120.51 117.11 2dwt n ALA 136 Ca 0.00 0.06 -0.21 0.00 0.00 0.00 0.00 53.44 53.29 2dwt n ALA 136 Cb 0.00 -3.69 0.03 0.00 0.00 0.00 0.00 19.45 15.79 2dwt n ALA 136 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2dwt n LEU 137 N -4.53 -3.15 0.00 0.00 4.77 -1.26 -0.03 117.00 112.80 2dwt n LEU 137 Ca -0.00 -0.81 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 2dwt n LEU 137 Cb 0.54 -2.68 0.00 0.00 -2.33 0.00 0.00 43.42 38.95 2dwt n LEU 137 CO 0.79 0.41 0.00 0.61 -1.33 0.00 0.00 177.39 177.86 2dwt n GLY 138 N -1.55 0.14 0.00 -0.72 0.00 -0.60 -1.97 105.19 100.49 2dwt n GLY 138 Ca -0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2dwt n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dwt n GLY 139 N -0.51 1.55 0.40 -0.02 0.00 -0.60 -0.63 105.19 105.36 2dwt n GLY 139 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 2dwt n GLY 139 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dwt h GLY 140 N 0.00 1.10 1.26 -0.02 0.00 -0.65 -1.86 103.07 102.89 2dwt h GLY 140 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 2dwt h GLY 140 CO 0.00 -0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.10 2dwt n GLY 141 N -1.48 -1.06 0.00 4.60 0.00 0.95 -3.24 105.19 104.96 2dwt n GLY 141 Ca 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2dwt n GLY 141 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dwt n LEU 142 N -1.13 0.44 -0.09 0.99 4.77 -0.74 -4.77 117.00 116.47 2dwt n LEU 142 Ca 0.18 -0.44 0.03 0.00 -0.03 0.00 0.00 56.01 55.75 2dwt n LEU 142 Cb 0.16 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.30 2dwt n LEU 142 CO 0.19 0.11 0.45 0.35 -1.33 0.00 0.00 177.39 177.16 2dwt n THR 143 N -0.02 1.01 -2.25 -5.08 -2.24 -0.95 -4.92 114.28 99.83 2dwt n THR 143 Ca 0.00 -1.13 -0.43 0.00 -2.27 0.00 0.00 64.05 60.22 2dwt n THR 143 Cb 0.16 0.33 -0.02 0.00 -2.10 0.00 0.00 70.33 68.70 2dwt n THR 143 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2dwt s LEU 144 N -1.34 3.68 0.01 3.22 2.96 -1.25 -4.33 118.68 121.64 2dwt s LEU 144 Ca 0.11 1.14 0.08 0.00 -0.22 0.00 0.00 54.13 55.23 2dwt s LEU 144 Cb 0.09 -3.54 -0.02 0.00 0.50 0.00 0.00 46.19 43.23 2dwt s LEU 144 CO 0.01 -1.39 -0.24 0.27 -1.32 0.00 0.00 176.35 173.68 2dwt s ILE 145 N 5.46 1.91 0.56 6.68 -4.36 -0.08 -4.94 121.20 126.43 2dwt s ILE 145 Ca 0.66 -1.14 -0.09 0.00 -0.26 0.00 0.00 60.65 59.82 2dwt s ILE 145 Cb -0.18 -1.61 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 2dwt s ILE 145 CO 0.30 0.43 0.92 0.20 0.24 0.00 0.00 174.94 177.04 2dwt s ASN 146 N -0.84 6.25 -0.05 4.36 0.01 -1.26 -2.11 114.94 121.30 2dwt s ASN 146 Ca 0.10 1.21 -0.36 0.00 -0.71 0.00 0.00 52.86 53.09 2dwt s ASN 146 Cb -0.09 -2.37 -0.14 0.00 0.41 0.00 0.00 41.25 39.05 2dwt s ASN 146 CO 0.00 -0.74 1.69 -2.65 -1.51 0.00 0.00 177.10 173.89 2dwt n PRO 147 N -2.52 1.75 -0.72 -0.60 -0.02 -1.26 -1.71 135.00 129.92 2dwt n PRO 147 Ca 0.04 0.64 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 2dwt n PRO 147 Cb 0.54 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 2dwt n PRO 147 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2dwt n GLY 148 N 3.80 1.01 3.31 -1.23 0.00 0.33 -4.74 105.19 107.67 2dwt n GLY 148 Ca 0.22 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.61 2dwt n GLY 148 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dwt s GLU 149 N -1.74 1.25 0.29 1.61 2.02 -0.69 -4.95 118.70 116.49 2dwt s GLU 149 Ca 0.00 -1.59 0.04 0.00 0.02 0.00 0.00 54.97 53.44 2dwt s GLU 149 Cb 0.00 -0.73 -0.06 0.00 0.10 0.00 0.00 34.13 33.44 2dwt s GLU 149 CO 0.00 0.02 0.03 -1.59 0.02 0.00 0.00 175.26 173.74 2dwt s LYS 150 N -3.78 1.55 0.03 1.61 -2.85 -1.26 -1.43 119.74 113.61 2dwt s LYS 150 Ca 0.23 -1.83 -0.17 0.00 -1.00 0.00 0.00 55.97 53.20 2dwt s LYS 150 Cb 0.03 -0.79 0.03 0.00 -2.06 0.00 0.00 37.83 35.04 2dwt s LYS 150 CO 0.06 -0.15 0.37 0.54 0.10 0.00 0.00 175.35 176.27 2dwt s VAL 151 N -3.33 0.06 -0.12 1.79 0.11 -0.54 -5.00 120.40 113.37 2dwt s VAL 151 Ca 0.34 -0.51 0.01 0.00 -2.93 0.00 0.00 61.98 58.89 2dwt s VAL 151 Cb 0.07 -0.89 0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2dwt s VAL 151 CO 0.13 -0.28 -0.13 -0.69 -3.33 0.00 0.00 175.10 170.81 2dwt s VAL 152 N -2.22 1.40 -0.08 2.04 1.01 -1.26 -1.46 120.40 119.83 2dwt s VAL 152 Ca -0.07 -0.55 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2dwt s VAL 152 Cb -0.02 -1.31 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 2dwt s VAL 152 CO -0.01 0.43 -0.14 -0.22 0.00 0.00 0.00 175.10 175.16 2dwt s LEU 153 N 1.30 2.71 -0.09 3.92 2.96 -0.47 -4.93 118.68 124.07 2dwt s LEU 153 Ca -0.01 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2dwt s LEU 153 Cb -0.14 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.96 2dwt s LEU 153 CO -0.06 0.27 -0.15 -0.60 -1.32 0.00 0.00 176.35 174.50 2dwt s ARG 154 N -0.30 2.98 0.09 1.98 3.52 -1.26 -0.81 118.95 125.15 2dwt s ARG 154 Ca 0.02 -0.71 0.04 0.00 -0.13 0.00 0.00 55.73 54.95 2dwt s ARG 154 Cb -0.13 -2.49 -0.03 0.00 -1.56 0.00 0.00 34.95 30.74 2dwt s ARG 154 CO 0.03 0.38 -0.10 -0.59 -0.81 0.00 0.00 175.30 174.20 2dwt s PHE 155 N -0.10 1.05 -0.01 5.12 -0.12 -0.53 -4.97 117.98 118.41 2dwt s PHE 155 Ca -0.02 -0.63 -0.21 0.00 -0.05 0.00 0.00 56.93 56.02 2dwt s PHE 155 Cb -0.14 -0.58 -0.05 0.00 -0.63 0.00 0.00 43.02 41.62 2dwt s PHE 155 CO 0.04 -0.00 0.60 0.21 -0.05 0.00 0.00 175.22 176.02 2dwt s LYS 156 N -2.63 4.33 -1.30 1.99 2.20 -1.26 -0.64 119.74 122.42 2dwt s LYS 156 Ca 0.04 0.74 -0.12 0.00 -0.36 0.00 0.00 55.97 56.27 2dwt s LYS 156 Cb -0.04 -3.35 0.14 0.00 -1.51 0.00 0.00 37.83 33.07 2dwt s LYS 156 CO 0.00 0.34 1.84 0.00 -0.36 0.00 0.00 175.35 177.17 2dwt n ALA 157 N 2.83 4.98 0.99 3.13 0.00 -0.31 -4.68 120.51 127.44 2dwt n ALA 157 Ca -0.06 -4.20 0.11 0.00 0.00 0.00 0.00 53.44 49.29 2dwt n ALA 157 Cb 0.51 -3.13 0.54 0.00 0.00 0.00 0.00 19.45 17.37 2dwt n ALA 157 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2dwt n THR 158 N 4.08 0.34 -4.09 0.00 -2.24 -1.26 0.33 114.28 111.44 2dwt n THR 158 Ca 0.42 0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 62.08 2dwt n THR 158 Cb 0.39 -0.71 -0.17 0.00 -2.10 0.00 0.00 70.33 67.74 2dwt n THR 158 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2dwt s ARG 159 N -2.68 0.83 0.40 -0.78 0.52 -1.26 -4.71 118.95 111.27 2dwt s ARG 159 Ca 0.19 -0.08 -0.23 0.00 -0.52 0.00 0.00 55.73 55.09 2dwt s ARG 159 Cb 0.15 -0.90 -0.11 0.00 0.52 0.00 0.00 34.95 34.61 2dwt s ARG 159 CO 0.36 -0.13 0.95 0.00 0.02 0.00 0.00 175.30 176.50 2dwt s ALA 160 N 1.13 3.09 0.00 2.13 0.00 -1.26 -4.78 121.76 122.07 2dwt s ALA 160 Ca -0.08 0.44 0.00 0.00 0.00 0.00 0.00 51.96 52.32 2dwt s ALA 160 Cb -0.14 -3.16 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2dwt s ALA 160 CO -0.01 0.14 0.00 0.41 0.00 0.00 0.00 175.76 176.30 2dwt n GLY 161 N -0.26 2.22 3.81 0.00 0.00 0.41 -3.38 105.19 107.98 2dwt n GLY 161 Ca 0.05 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.01 2dwt n GLY 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt s ALA 162 N -1.73 3.68 0.01 4.61 0.00 -0.32 0.53 121.76 128.54 2dwt s ALA 162 Ca 0.00 -0.29 0.01 0.00 0.00 0.00 0.00 51.96 51.67 2dwt s ALA 162 Cb 0.00 -2.37 -0.01 0.00 0.00 0.00 0.00 23.12 20.74 2dwt s ALA 162 CO 0.00 0.39 -0.03 -0.06 0.00 0.00 0.00 175.76 176.06 2dwt s PHE 163 N -0.68 0.24 0.54 0.00 0.40 0.14 -4.38 117.98 114.24 2dwt s PHE 163 Ca 0.22 -0.23 -0.19 0.00 -0.60 0.00 0.00 56.93 56.13 2dwt s PHE 163 Cb -0.15 -0.16 -0.06 0.00 0.51 0.00 0.00 43.02 43.16 2dwt s PHE 163 CO 0.11 -0.07 1.13 0.08 0.70 0.00 0.00 175.22 177.17 2dwt s VAL 164 N -0.60 3.18 0.03 -0.44 1.01 -1.26 -0.81 120.40 121.51 2dwt s VAL 164 Ca -0.05 0.74 0.06 0.00 0.00 0.00 0.00 61.98 62.73 2dwt s VAL 164 Cb -0.04 -3.30 -0.02 0.00 0.00 0.00 0.00 36.38 33.02 2dwt s VAL 164 CO -0.00 -0.16 -0.19 -0.72 0.00 0.00 0.00 175.10 174.03 2dwt s TYR 165 N -1.78 1.64 0.20 5.22 -0.85 -0.59 -1.44 117.35 119.75 2dwt s TYR 165 Ca 0.73 -0.35 -0.14 0.00 -0.52 0.00 0.00 57.07 56.79 2dwt s TYR 165 Cb -0.24 -0.99 0.01 0.00 0.38 0.00 0.00 41.96 41.12 2dwt s TYR 165 CO 0.27 0.05 0.44 -3.38 -1.52 0.00 0.00 175.55 171.40 2dwt s HIS 166 N -0.71 0.15 0.44 -3.49 -3.43 -0.41 -0.75 115.29 107.08 2dwt s HIS 166 Ca 0.06 -0.51 -0.21 0.00 -0.80 0.00 0.00 55.06 53.60 2dwt s HIS 166 Cb -0.08 0.20 -0.11 0.00 -1.43 0.00 0.00 32.58 31.17 2dwt s HIS 166 CO 0.01 -0.87 0.96 0.00 -2.00 0.00 0.00 174.74 172.84 2dwt n ALA 168 N -0.69 -1.74 -0.01 0.00 0.00 -1.26 -4.45 120.51 112.37 2dwt n ALA 168 Ca 0.07 -1.18 -0.00 0.00 0.00 0.00 0.00 53.44 52.32 2dwt n ALA 168 Cb 0.54 -1.53 0.29 0.00 0.00 0.00 0.00 19.45 18.75 2dwt n ALA 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 2dwt h PRO 169 N 4.31 0.54 0.00 0.00 0.11 -1.89 -3.47 132.00 131.60 2dwt h PRO 169 Ca -0.08 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.92 2dwt h PRO 169 Cb 1.07 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.10 2dwt h PRO 169 CO 0.19 0.56 0.00 0.41 -0.21 0.00 0.00 178.00 178.95 2dwt n GLY 170 N -0.88 4.73 7.00 -0.55 0.00 -1.26 -4.98 105.19 109.24 2dwt n GLY 170 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.16 2dwt n GLY 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dwt n GLY 171 N -1.81 2.42 0.29 -0.02 0.00 -1.26 -1.74 105.19 103.06 2dwt n GLY 171 Ca 0.00 0.11 0.16 0.00 0.00 0.00 0.00 46.02 46.29 2dwt n GLY 171 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2dwt h PRO 172 N 0.00 0.00 0.00 1.61 0.11 -2.03 0.38 132.00 132.07 2dwt h PRO 172 Ca 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.10 2dwt h PRO 172 Cb 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.11 2dwt h PRO 172 CO 0.00 0.06 -0.07 0.52 -0.21 0.00 0.00 178.00 178.30 2dwt h MET 173 N 0.00 0.00 0.68 1.05 2.86 -1.75 -3.14 114.93 114.63 2dwt h MET 173 Ca -0.00 0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2dwt h MET 173 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 2dwt h MET 173 CO 0.01 0.07 -0.33 0.82 1.06 0.00 0.00 176.91 178.54 2dwt h ILE 174 N 0.00 0.00 -0.24 -1.22 2.04 -0.29 -2.30 117.51 115.50 2dwt h ILE 174 Ca -0.00 -0.07 -0.03 0.00 1.00 0.00 0.00 64.86 65.76 2dwt h ILE 174 Cb 0.31 0.00 -0.01 0.00 -0.74 0.00 0.00 36.82 36.38 2dwt h ILE 174 CO 0.01 0.00 -0.00 1.55 0.00 0.00 0.00 178.15 179.71 2dwt h PRO 175 N -0.98 0.36 -0.35 2.37 0.13 -1.75 -2.84 132.00 128.94 2dwt h PRO 175 Ca -0.09 -0.06 -0.09 0.00 -0.87 0.00 0.00 66.00 64.88 2dwt h PRO 175 Cb 0.70 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 31.76 2dwt h PRO 175 CO 0.15 0.39 -0.14 2.35 -0.23 0.00 0.00 178.00 180.53 2dwt h TRP 176 N 0.35 0.82 -0.34 1.56 7.01 -1.53 -1.55 115.95 122.28 2dwt h TRP 176 Ca 0.08 -0.19 -0.10 0.00 2.11 0.00 0.00 58.89 60.79 2dwt h TRP 176 Cb 0.24 -0.19 -0.01 0.00 -2.10 0.00 0.00 29.16 27.10 2dwt h TRP 176 CO 0.01 0.90 -0.17 0.45 -2.79 0.00 0.00 178.44 176.83 2dwt h HIS 177 N 0.50 0.82 -0.50 2.65 3.86 -1.38 -2.35 115.15 118.75 2dwt h HIS 177 Ca 0.08 -0.20 0.01 0.00 -1.16 0.00 0.00 60.37 59.09 2dwt h HIS 177 Cb 0.66 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 2dwt h HIS 177 CO 0.06 0.92 0.33 0.28 0.86 0.00 0.00 177.93 180.37 2dwt h VAL 178 N 0.48 1.13 0.00 2.45 2.07 -1.46 -2.59 116.25 118.33 2dwt h VAL 178 Ca 0.07 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2dwt h VAL 178 Cb 0.71 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 2dwt h VAL 178 CO 0.05 0.12 0.00 1.33 0.02 0.00 0.00 177.57 179.09 2dwt n VAL 179 N -4.74 0.00 0.46 2.57 0.24 -0.59 -0.71 118.33 115.56 2dwt n VAL 179 Ca 0.02 0.00 0.09 0.00 -2.04 0.00 0.00 64.34 62.42 2dwt n VAL 179 Cb 0.02 -0.34 0.13 0.00 -1.47 0.00 0.00 33.84 32.18 2dwt n VAL 179 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 2dwt n SER 180 N -0.80 2.84 0.00 -1.34 7.64 -0.90 -4.61 113.62 116.44 2dwt n SER 180 Ca 0.14 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.18 2dwt n SER 180 Cb 0.06 -0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.15 2dwt n SER 180 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dwt n GLY 181 N 1.08 0.81 3.47 0.23 0.00 0.12 -0.90 105.19 109.99 2dwt n GLY 181 Ca 0.13 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 2dwt n GLY 181 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2dwt n MET 182 N -1.28 3.32 -3.46 1.61 0.00 -0.62 -4.53 117.12 112.17 2dwt n MET 182 Ca 0.00 -3.67 -0.11 0.00 0.00 0.00 0.00 57.70 53.93 2dwt n MET 182 Cb 0.00 -3.17 -0.02 0.00 0.00 0.00 0.00 33.22 30.03 2dwt n MET 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2dwt s ALA 183 N 2.29 -1.71 0.00 -5.12 0.00 -1.26 -2.42 121.76 113.54 2dwt s ALA 183 Ca 0.46 0.76 0.00 0.00 0.00 0.00 0.00 51.96 53.18 2dwt s ALA 183 Cb -0.00 0.63 0.00 0.00 0.00 0.00 0.00 23.12 23.75 2dwt s ALA 183 CO 0.02 -0.72 0.00 0.41 0.00 0.00 0.00 175.76 175.48 2dwt n GLY 184 N -0.27 2.39 3.09 0.00 0.00 0.07 -1.10 105.19 109.38 2dwt n GLY 184 Ca -0.13 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.01 2dwt n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt s ILE 186 N -0.33 2.46 -0.25 0.00 2.07 0.01 -2.66 121.20 122.51 2dwt s ILE 186 Ca -0.04 -0.90 -0.05 0.00 -1.41 0.00 0.00 60.65 58.24 2dwt s ILE 186 Cb -0.03 -1.95 -0.01 0.00 0.13 0.00 0.00 42.46 40.60 2dwt s ILE 186 CO 0.01 0.56 0.02 -0.32 -1.91 0.00 0.00 174.94 173.29 2dwt s MET 187 N 0.02 3.35 -0.54 3.50 -2.45 0.13 -0.69 119.30 122.63 2dwt s MET 187 Ca -0.07 -0.66 -0.12 0.00 -1.25 0.00 0.00 55.69 53.58 2dwt s MET 187 Cb -0.15 -3.18 0.14 0.00 1.25 0.00 0.00 34.83 32.89 2dwt s MET 187 CO 0.05 -0.27 0.46 0.08 1.05 0.00 0.00 175.02 176.39 2dwt s VAL 188 N 1.51 4.74 0.25 10.11 1.01 0.19 -1.47 120.40 136.73 2dwt s VAL 188 Ca 0.05 -1.79 -0.30 0.00 0.00 0.00 0.00 61.98 59.94 2dwt s VAL 188 Cb -0.15 -4.06 -0.09 0.00 0.00 0.00 0.00 36.38 32.07 2dwt s VAL 188 CO -0.00 -0.85 0.97 -0.76 0.00 0.00 0.00 175.10 174.46 2dwt s LEU 189 N 1.27 4.63 0.59 3.92 1.43 -0.25 -0.45 118.68 129.83 2dwt s LEU 189 Ca 0.06 2.01 -0.19 0.00 -1.03 0.00 0.00 54.13 54.98 2dwt s LEU 189 Cb -0.26 -3.61 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 2dwt s LEU 189 CO -0.00 0.10 1.06 -2.65 0.23 0.00 0.00 176.35 175.09 2dwt n PRO 190 N 1.44 1.06 -0.31 1.29 -0.02 -1.26 -1.05 135.00 136.16 2dwt n PRO 190 Ca -0.02 0.41 0.25 0.00 -2.02 0.00 0.00 63.50 62.12 2dwt n PRO 190 Cb 0.47 -2.26 0.57 0.00 -0.02 0.00 0.00 33.50 32.26 2dwt n PRO 190 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2dwt h ARG 191 N 0.69 0.27 -0.93 -0.52 3.08 -1.88 -2.35 114.38 112.74 2dwt h ARG 191 Ca -0.49 -0.02 -0.51 0.00 0.07 0.00 0.00 59.98 59.03 2dwt h ARG 191 Cb 1.35 -0.06 -0.29 0.00 0.08 0.00 0.00 29.97 31.05 2dwt h ARG 191 CO 0.52 0.18 0.60 -3.47 -1.07 0.00 0.00 179.97 176.74 2dwt n ASP 192 N -4.50 4.34 -0.63 7.04 2.03 -1.26 -0.58 116.55 122.99 2dwt n ASP 192 Ca 0.24 -3.66 0.06 0.00 0.52 0.00 0.00 54.79 51.95 2dwt n ASP 192 Cb 0.95 -0.84 -0.02 0.00 -0.72 0.00 0.00 41.12 40.49 2dwt n ASP 192 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dwt n GLY 193 N -1.10 -1.88 3.78 0.27 0.00 -0.88 -4.83 105.19 100.55 2dwt n GLY 193 Ca 0.58 -1.30 -0.36 0.00 0.00 0.00 0.00 46.02 44.93 2dwt n GLY 193 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dwt s LEU 194 N 0.00 4.17 0.16 0.99 1.43 -1.26 -4.38 118.68 119.79 2dwt s LEU 194 Ca 0.00 1.97 0.09 0.00 -1.03 0.00 0.00 54.13 55.17 2dwt s LEU 194 Cb 0.00 -4.17 -0.04 0.00 0.03 0.00 0.00 46.19 42.01 2dwt s LEU 194 CO 0.00 -0.39 -0.21 -0.54 0.23 0.00 0.00 176.35 175.44 2dwt s LYS 195 N -2.45 1.32 0.12 1.70 -0.14 -1.26 -1.66 119.74 117.38 2dwt s LYS 195 Ca 0.56 -1.40 0.00 0.00 -1.36 0.00 0.00 55.97 53.78 2dwt s LYS 195 Cb -0.20 -1.51 0.02 0.00 -1.68 0.00 0.00 37.83 34.46 2dwt s LYS 195 CO 0.26 0.32 0.17 -0.40 -0.76 0.00 0.00 175.35 174.94 2dwt n ASP 196 N 0.45 0.28 0.00 2.83 5.75 -0.39 -4.86 116.55 120.61 2dwt n ASP 196 Ca -0.14 -1.23 0.21 0.00 -0.01 0.00 0.00 54.79 53.62 2dwt n ASP 196 Cb 0.56 -0.11 0.70 0.00 -1.03 0.00 0.00 41.12 41.24 2dwt n ASP 196 CO 0.00 0.00 0.00 1.12 -0.11 0.00 0.00 177.20 178.21 2dwt h HIS 197 N -0.30 0.00 -0.25 2.11 -0.00 -1.90 -0.10 115.15 114.71 2dwt h HIS 197 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.31 2dwt h HIS 197 Cb 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.63 2dwt h HIS 197 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 177.93 178.32 2dwt n GLU 198 N -4.32 2.79 -0.52 5.12 1.02 -1.26 -4.91 120.64 118.57 2dwt n GLU 198 Ca 0.10 -2.67 0.00 0.00 -0.02 0.00 0.00 57.16 54.57 2dwt n GLU 198 Cb 0.62 -1.71 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2dwt n GLU 198 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dwt n GLY 199 N -0.42 0.75 3.81 0.62 0.00 -0.05 -5.06 105.19 104.85 2dwt n GLY 199 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.85 2dwt n GLY 199 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dwt s LYS 200 N -0.48 4.30 0.28 1.61 1.02 -1.26 -4.70 119.74 120.51 2dwt s LYS 200 Ca 0.00 0.95 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 2dwt s LYS 200 Cb 0.00 -2.84 -0.10 0.00 -0.52 0.00 0.00 37.83 34.37 2dwt s LYS 200 CO 0.00 0.36 1.37 -2.14 -0.92 0.00 0.00 175.35 174.02 2dwt s PRO 201 N -2.04 4.31 0.05 -1.68 0.02 -1.26 -1.26 135.00 133.14 2dwt s PRO 201 Ca 0.45 2.24 0.08 0.00 0.02 0.00 0.00 61.00 63.79 2dwt s PRO 201 Cb -0.17 -3.10 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 2dwt s PRO 201 CO 0.21 -0.31 -0.22 0.14 -0.33 0.00 0.00 177.00 176.49 2dwt s VAL 202 N -0.45 1.81 -0.03 3.83 -7.23 -0.67 -4.88 120.40 112.79 2dwt s VAL 202 Ca 0.55 -1.29 0.02 0.00 -1.81 0.00 0.00 61.98 59.45 2dwt s VAL 202 Cb -0.40 -1.57 0.01 0.00 0.56 0.00 0.00 36.38 34.97 2dwt s VAL 202 CO 0.47 0.23 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.81 2dwt s ARG 203 N -1.27 0.92 0.08 4.82 3.52 -1.26 -4.02 118.95 121.74 2dwt s ARG 203 Ca 0.09 -0.24 -0.03 0.00 -0.13 0.00 0.00 55.73 55.43 2dwt s ARG 203 Cb -0.09 -0.87 -0.05 0.00 -1.56 0.00 0.00 34.95 32.38 2dwt s ARG 203 CO 0.02 0.04 0.27 1.52 -0.81 0.00 0.00 175.30 176.34 2dwt s TYR 204 N 0.44 3.51 -0.13 5.12 1.13 -1.26 -4.83 117.35 121.33 2dwt s TYR 204 Ca -0.07 0.40 0.17 0.00 -1.41 0.00 0.00 57.07 56.17 2dwt s TYR 204 Cb -0.11 -1.88 -0.14 0.00 -1.10 0.00 0.00 41.96 38.74 2dwt s TYR 204 CO 0.01 0.54 0.80 -0.25 -2.51 0.00 0.00 175.55 174.14 2dwt n ASP 205 N 0.37 0.81 -3.85 -0.18 8.00 0.28 -4.95 116.55 117.03 2dwt n ASP 205 Ca -0.05 0.35 -0.12 0.00 0.71 0.00 0.00 54.79 55.68 2dwt n ASP 205 Cb 0.52 0.25 -0.11 0.00 -0.02 0.00 0.00 41.12 41.75 2dwt n ASP 205 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2dwt s THR 206 N -2.94 0.04 -0.05 -3.53 2.01 -1.17 -5.04 115.64 104.97 2dwt s THR 206 Ca -0.03 -0.36 0.05 0.00 0.31 0.00 0.00 61.69 61.66 2dwt s THR 206 Cb 0.09 -0.32 -0.01 0.00 0.01 0.00 0.00 72.50 72.27 2dwt s THR 206 CO 0.81 -0.20 -0.21 0.54 -0.69 0.00 0.00 174.62 174.88 2dwt s VAL 207 N -0.66 1.74 -0.04 3.82 0.11 -1.26 -0.38 120.40 123.73 2dwt s VAL 207 Ca -0.07 -0.89 0.07 0.00 -2.93 0.00 0.00 61.98 58.15 2dwt s VAL 207 Cb -0.04 -1.48 -0.02 0.00 -1.53 0.00 0.00 36.38 33.31 2dwt s VAL 207 CO 0.01 0.49 -0.25 -0.31 -3.33 0.00 0.00 175.10 171.71 2dwt s TYR 208 N -0.06 2.42 -0.42 1.54 2.02 -0.09 -4.61 117.35 118.16 2dwt s TYR 208 Ca -0.04 -0.57 -0.17 0.00 -0.37 0.00 0.00 57.07 55.93 2dwt s TYR 208 Cb -0.13 -1.56 0.02 0.00 -0.40 0.00 0.00 41.96 39.89 2dwt s TYR 208 CO 0.03 -0.12 0.39 -0.47 -1.57 0.00 0.00 175.55 173.82 2dwt s TYR 209 N -0.38 3.19 -0.42 2.71 5.04 0.39 -1.88 117.35 126.01 2dwt s TYR 209 Ca 0.03 -0.43 -0.15 0.00 -2.44 0.00 0.00 57.07 54.08 2dwt s TYR 209 Cb -0.12 -2.79 0.03 0.00 0.35 0.00 0.00 41.96 39.42 2dwt s TYR 209 CO 0.02 -0.66 0.31 0.42 -1.34 0.00 0.00 175.55 174.29 2dwt s ILE 210 N 1.99 5.23 -0.27 3.14 -1.09 0.13 -4.31 121.20 126.02 2dwt s ILE 210 Ca 0.10 -0.72 -0.09 0.00 -2.23 0.00 0.00 60.65 57.71 2dwt s ILE 210 Cb -0.18 -3.94 -0.04 0.00 -1.58 0.00 0.00 42.46 36.73 2dwt s ILE 210 CO 0.12 -0.34 0.14 -0.83 -1.23 0.00 0.00 174.94 172.81 2dwt s GLY 211 N 1.78 1.87 -0.12 6.18 0.00 -1.26 -1.64 107.32 114.12 2dwt s GLY 211 Ca 0.05 -1.10 -0.06 0.00 0.00 0.00 0.00 44.72 43.61 2dwt s GLY 211 CO 0.09 0.59 0.12 1.85 0.00 0.00 0.00 173.10 175.76 2dwt s GLU 212 N 1.67 3.39 -0.02 2.90 2.12 0.47 -1.84 118.70 127.39 2dwt s GLU 212 Ca 0.07 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.20 2dwt s GLU 212 Cb -0.16 -3.14 0.01 0.00 0.26 0.00 0.00 34.13 31.10 2dwt s GLU 212 CO 0.08 0.75 0.06 -1.54 -0.54 0.00 0.00 175.26 174.07 2dwt s SER 213 N -0.97 -0.05 0.00 -1.70 1.04 -0.57 -4.30 113.70 107.15 2dwt s SER 213 Ca 0.14 0.10 -0.08 0.00 0.48 0.00 0.00 55.95 56.59 2dwt s SER 213 Cb -0.12 0.13 -0.05 0.00 0.10 0.00 0.00 66.02 66.08 2dwt s SER 213 CO 0.04 -0.03 0.29 1.51 0.98 0.00 0.00 173.24 176.03 2dwt s ASP 214 N -0.03 6.55 0.08 7.02 -4.77 -1.26 -1.43 116.67 122.83 2dwt s ASP 214 Ca -0.01 0.64 0.02 0.00 -3.30 0.00 0.00 52.55 49.90 2dwt s ASP 214 Cb -0.01 -2.12 -0.04 0.00 -1.09 0.00 0.00 42.92 39.66 2dwt s ASP 214 CO 0.00 0.27 -0.06 -1.00 0.70 0.00 0.00 175.17 175.07 2dwt s HIS 215 N -1.25 0.77 -0.52 2.11 3.76 -0.59 -4.72 115.29 114.86 2dwt s HIS 215 Ca 0.26 -0.80 0.07 0.00 -0.15 0.00 0.00 55.06 54.45 2dwt s HIS 215 Cb -0.14 -0.46 0.26 0.00 1.11 0.00 0.00 32.58 33.35 2dwt s HIS 215 CO 0.15 -0.15 0.66 0.66 -0.85 0.00 0.00 174.74 175.20 2dwt n TYR 216 N 0.46 1.77 -2.78 1.40 4.02 -1.26 -1.02 117.16 119.75 2dwt n TYR 216 Ca -0.16 -3.87 -0.42 0.00 -0.01 0.00 0.00 57.90 53.44 2dwt n TYR 216 Cb 0.59 -0.46 -0.03 0.00 -0.02 0.00 0.00 39.34 39.42 2dwt n TYR 216 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 2dwt s ILE 217 N -2.02 4.77 0.79 -0.72 -1.09 -1.26 -4.66 121.20 117.02 2dwt s ILE 217 Ca 0.38 1.81 -0.11 0.00 -2.23 0.00 0.00 60.65 60.50 2dwt s ILE 217 Cb 0.17 -4.22 0.08 0.00 -1.58 0.00 0.00 42.46 36.91 2dwt s ILE 217 CO -0.06 -0.10 1.16 -2.16 -1.23 0.00 0.00 174.94 172.54 2dwt s PRO 218 N 2.83 2.01 0.07 2.79 0.04 -1.26 -4.88 135.00 136.60 2dwt s PRO 218 Ca 0.40 0.07 0.09 0.00 0.04 0.00 0.00 61.00 61.60 2dwt s PRO 218 Cb -0.16 -1.98 -0.03 0.00 0.04 0.00 0.00 34.50 32.37 2dwt s PRO 218 CO 0.08 -1.54 -0.24 0.15 0.04 0.00 0.00 177.00 175.49 2dwt s LYS 219 N -5.53 1.51 1.08 4.56 1.02 -1.26 -1.60 119.74 119.53 2dwt s LYS 219 Ca 0.62 -1.10 -0.13 0.00 0.02 0.00 0.00 55.97 55.37 2dwt s LYS 219 Cb -0.11 -1.74 0.23 0.00 -0.52 0.00 0.00 37.83 35.70 2dwt s LYS 219 CO 0.48 0.44 1.07 -0.51 -0.92 0.00 0.00 175.35 175.91 2dwt s ASP 220 N -1.44 1.84 0.41 2.83 1.11 0.19 -4.82 116.67 116.78 2dwt s ASP 220 Ca 0.10 1.19 0.16 0.00 0.18 0.00 0.00 52.55 54.18 2dwt s ASP 220 Cb -0.10 -1.85 1.03 0.00 1.07 0.00 0.00 42.92 43.07 2dwt s ASP 220 CO 0.03 -3.62 1.87 -0.33 1.18 0.00 0.00 175.17 174.30 2dwt h GLU 221 N -2.23 0.44 0.00 8.23 3.07 -2.01 -0.92 114.58 121.17 2dwt h GLU 221 Ca -0.56 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.27 2dwt h GLU 221 Cb 1.33 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 29.14 2dwt h GLU 221 CO 0.54 0.29 0.00 -0.40 -1.40 0.00 0.00 179.01 178.04 2dwt n ASP 222 N -4.51 0.00 0.00 1.42 5.68 -1.26 -4.88 116.55 112.99 2dwt n ASP 222 Ca 0.18 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.83 2dwt n ASP 222 Cb 0.62 -0.07 0.00 0.00 -1.14 0.00 0.00 41.12 40.53 2dwt n ASP 222 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dwt n GLY 223 N 0.70 0.69 3.90 6.12 0.00 -0.35 -5.05 105.19 111.19 2dwt n GLY 223 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2dwt n GLY 223 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2dwt s THR 224 N -2.05 5.26 0.35 2.61 2.01 -1.26 -4.86 115.64 117.71 2dwt s THR 224 Ca 0.00 0.02 -0.28 0.00 0.31 0.00 0.00 61.69 61.73 2dwt s THR 224 Cb 0.00 -3.60 -0.10 0.00 0.01 0.00 0.00 72.50 68.80 2dwt s THR 224 CO 0.00 0.20 1.37 -0.31 -0.69 0.00 0.00 174.62 175.19 2dwt s TYR 225 N -1.48 2.87 0.35 4.92 2.02 -1.26 0.55 117.35 125.32 2dwt s TYR 225 Ca 0.34 1.33 -0.21 0.00 -0.37 0.00 0.00 57.07 58.16 2dwt s TYR 225 Cb -0.13 -3.80 -0.10 0.00 -0.40 0.00 0.00 41.96 37.53 2dwt s TYR 225 CO 0.22 -2.28 0.88 -1.64 -1.57 0.00 0.00 175.55 171.16 2dwt s MET 226 N -1.94 4.31 0.17 -0.62 -1.94 -0.63 -4.71 119.30 113.95 2dwt s MET 226 Ca 0.51 1.07 0.08 0.00 -1.71 0.00 0.00 55.69 55.64 2dwt s MET 226 Cb -0.42 -2.52 -0.04 0.00 2.01 0.00 0.00 34.83 33.85 2dwt s MET 226 CO 0.56 0.16 -0.05 1.03 -0.01 0.00 0.00 175.02 176.71 2dwt s ARG 227 N -2.61 2.22 0.22 2.03 0.52 -1.26 -4.73 118.95 115.34 2dwt s ARG 227 Ca 0.54 -1.18 0.02 0.00 -0.52 0.00 0.00 55.73 54.58 2dwt s ARG 227 Cb -0.13 -2.25 -0.05 0.00 0.52 0.00 0.00 34.95 33.03 2dwt s ARG 227 CO 0.18 0.45 0.05 -0.06 0.02 0.00 0.00 175.30 175.94 2dwt s PHE 228 N -1.69 1.41 -0.10 -0.53 0.40 -1.26 -5.06 117.98 111.15 2dwt s PHE 228 Ca 0.26 -1.10 0.16 0.00 -0.60 0.00 0.00 56.93 55.65 2dwt s PHE 228 Cb -0.09 -0.82 -0.18 0.00 0.51 0.00 0.00 43.02 42.44 2dwt s PHE 228 CO 0.17 -0.27 0.70 0.43 0.70 0.00 0.00 175.22 176.95 2dwt n SER 229 N -0.37 0.77 -3.87 1.36 7.64 -1.26 -4.98 113.62 112.91 2dwt n SER 229 Ca -0.03 0.35 -0.09 0.00 1.01 0.00 0.00 58.87 60.11 2dwt n SER 229 Cb 0.65 0.20 -0.05 0.00 -1.01 0.00 0.00 64.21 64.01 2dwt n SER 229 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2dwt s ASP 230 N -5.82 -0.15 0.08 6.43 3.84 -1.26 -5.01 116.67 114.78 2dwt s ASP 230 Ca -0.04 -0.70 -0.22 0.00 -0.00 0.00 0.00 52.55 51.59 2dwt s ASP 230 Cb 0.08 0.57 -0.13 0.00 -1.38 0.00 0.00 42.92 42.06 2dwt s ASP 230 CO 0.82 -1.07 1.65 -0.65 -0.00 0.00 0.00 175.17 175.92 2dwt h PRO 231 N 2.26 0.10 -1.00 2.11 0.11 -1.93 -3.17 132.00 130.48 2dwt h PRO 231 Ca -0.28 -0.01 0.25 0.00 0.11 0.00 0.00 66.00 66.07 2dwt h PRO 231 Cb 1.25 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 2dwt h PRO 231 CO 0.38 0.18 0.66 0.77 -0.21 0.00 0.00 178.00 179.77 2dwt h SER 232 N 0.00 0.40 0.14 -2.05 0.02 -1.98 0.35 113.55 110.43 2dwt h SER 232 Ca 0.03 0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.99 2dwt h SER 232 Cb 0.11 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2dwt h SER 232 CO -0.00 0.11 -0.18 -0.08 -1.14 0.00 0.00 176.83 175.54 2dwt h GLU 233 N 0.37 0.08 0.00 3.45 4.81 -1.98 -2.93 114.58 118.38 2dwt h GLU 233 Ca 0.54 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.76 2dwt h GLU 233 Cb 1.43 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.80 2dwt h GLU 233 CO -0.23 0.26 -0.45 0.41 -0.73 0.00 0.00 179.01 178.27 2dwt n GLY 234 N -0.94 -1.36 0.15 1.92 0.00 0.12 -4.58 105.19 100.50 2dwt n GLY 234 Ca -0.02 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.68 2dwt n GLY 234 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2dwt h TYR 235 N 0.00 -0.02 -0.14 1.61 3.20 -1.26 -0.95 116.97 119.40 2dwt h TYR 235 Ca 0.00 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 61.73 2dwt h TYR 235 Cb 0.60 0.06 -0.01 0.00 1.54 0.00 0.00 36.73 38.92 2dwt h TYR 235 CO 0.00 -0.06 -0.60 0.93 -1.64 0.00 0.00 178.16 176.79 2dwt h GLU 236 N 0.10 0.48 0.01 1.82 5.08 -1.81 -2.44 114.58 117.82 2dwt h GLU 236 Ca 0.17 -0.32 -0.19 0.00 -1.00 0.00 0.00 59.36 58.01 2dwt h GLU 236 Cb 0.23 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2dwt h GLU 236 CO -0.28 0.93 -0.88 -0.44 -1.00 0.00 0.00 179.01 177.34 2dwt h ASP 237 N 0.36 0.16 -0.52 1.42 3.32 -1.81 -3.07 116.42 116.28 2dwt h ASP 237 Ca -0.00 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 56.88 2dwt h ASP 237 Cb 1.14 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 2dwt h ASP 237 CO 0.11 0.96 0.21 -0.03 -1.72 0.00 0.00 179.24 178.77 2dwt h MET 238 N 0.06 0.77 -0.90 3.56 4.05 -1.12 -3.10 114.93 118.26 2dwt h MET 238 Ca -0.03 -0.14 0.18 0.00 -0.28 0.00 0.00 59.70 59.43 2dwt h MET 238 Cb 1.52 -0.13 -0.11 0.00 -0.80 0.00 0.00 31.60 32.09 2dwt h MET 238 CO 0.13 0.67 0.46 0.28 0.23 0.00 0.00 176.91 178.68 2dwt h VAL 239 N 0.69 0.62 -0.55 -5.77 2.07 -1.35 -0.04 116.25 111.93 2dwt h VAL 239 Ca 0.17 -0.19 -0.09 0.00 0.82 0.00 0.00 66.70 67.41 2dwt h VAL 239 Cb 0.19 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.95 2dwt h VAL 239 CO -0.02 0.10 -0.01 0.00 0.02 0.00 0.00 177.57 177.67 2dwt h ALA 240 N 1.63 0.74 -0.02 1.67 0.00 -1.46 0.66 119.26 122.49 2dwt h ALA 240 Ca 0.52 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 2dwt h ALA 240 Cb 0.87 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.46 2dwt h ALA 240 CO -0.43 0.57 0.00 0.28 0.00 0.00 0.00 179.25 179.68 2dwt h VAL 241 N 0.86 1.18 -0.90 0.00 2.07 -1.23 -3.05 116.25 115.18 2dwt h VAL 241 Ca 0.15 -0.54 0.21 0.00 0.82 0.00 0.00 66.70 67.34 2dwt h VAL 241 Cb 0.55 1.52 -0.12 0.00 -1.52 0.00 0.00 31.29 31.72 2dwt h VAL 241 CO 0.03 0.14 0.43 0.24 0.02 0.00 0.00 177.57 178.43 2dwt h MET 242 N -0.20 0.46 0.00 1.57 2.86 -0.81 -1.26 114.93 117.55 2dwt h MET 242 Ca 0.00 -0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.61 2dwt h MET 242 Cb 0.23 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 2dwt h MET 242 CO 0.00 0.31 -0.02 -0.44 1.06 0.00 0.00 176.91 177.82 2dwt h ASP 243 N 0.47 0.00 0.94 1.22 3.32 -0.75 -0.54 116.42 121.08 2dwt h ASP 243 Ca 0.55 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.60 2dwt h ASP 243 Cb 0.99 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2dwt h ASP 243 CO -0.48 0.02 0.00 0.35 -1.72 0.00 0.00 179.24 177.40 2dwt n THR 244 N -3.97 0.01 -1.12 0.35 -2.24 -0.48 -4.92 114.28 101.92 2dwt n THR 244 Ca -0.03 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.70 2dwt n THR 244 Cb 0.10 -0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 67.80 2dwt n THR 244 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2dwt n LEU 245 N -1.48 0.36 -4.41 3.22 4.77 -0.21 -4.96 117.00 114.29 2dwt n LEU 245 Ca 0.08 0.13 -0.41 0.00 -0.03 0.00 0.00 56.01 55.78 2dwt n LEU 245 Cb 0.33 -2.53 -0.11 0.00 -2.33 0.00 0.00 43.42 38.78 2dwt n LEU 245 CO 0.26 -0.99 -0.14 -0.63 -1.33 0.00 0.00 177.39 174.56 2dwt s ILE 246 N -1.40 4.74 0.48 -0.08 1.01 -1.26 -5.08 121.20 119.60 2dwt s ILE 246 Ca 0.00 -0.75 -0.23 0.00 0.00 0.00 0.00 60.65 59.67 2dwt s ILE 246 Cb 0.00 -3.61 -0.07 0.00 0.01 0.00 0.00 42.46 38.79 2dwt s ILE 246 CO 0.00 -0.21 1.29 -2.84 0.00 0.00 0.00 174.94 173.18 2dwt s PRO 247 N 1.59 3.58 0.03 2.79 0.02 -1.26 -4.84 135.00 136.91 2dwt s PRO 247 Ca 0.03 2.08 0.00 0.00 0.02 0.00 0.00 61.00 63.14 2dwt s PRO 247 Cb -0.19 -2.46 -0.26 0.00 0.02 0.00 0.00 34.50 31.61 2dwt s PRO 247 CO 0.07 -0.79 0.95 0.66 -0.33 0.00 0.00 177.00 177.57 2dwt h SER 248 N 2.01 0.28 -4.75 2.53 4.64 -1.42 -3.47 113.55 113.37 2dwt h SER 248 Ca -0.50 -0.37 -0.25 0.00 -0.47 0.00 0.00 61.79 60.19 2dwt h SER 248 Cb 1.27 -0.09 -0.20 0.00 -0.31 0.00 0.00 62.40 63.07 2dwt h SER 248 CO 0.60 1.31 -0.72 -1.00 -0.87 0.00 0.00 176.83 176.14 2dwt s HIS 249 N -2.64 0.70 -0.21 4.77 3.76 -1.16 -4.81 115.29 115.71 2dwt s HIS 249 Ca -0.06 -0.61 -0.04 0.00 -0.15 0.00 0.00 55.06 54.20 2dwt s HIS 249 Cb 0.08 -0.42 0.11 0.00 1.11 0.00 0.00 32.58 33.45 2dwt s HIS 249 CO 0.85 -0.11 0.31 0.42 -0.85 0.00 0.00 174.74 175.36 2dwt s ILE 250 N -1.98 -0.49 0.10 0.60 1.01 -0.16 -1.55 121.20 118.73 2dwt s ILE 250 Ca -0.05 -0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.62 2dwt s ILE 250 Cb -0.06 -0.72 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2dwt s ILE 250 CO -0.01 -0.11 -0.13 0.68 0.00 0.00 0.00 174.94 175.36 2dwt s VAL 251 N 2.46 1.17 -0.15 2.92 -7.23 -0.51 -0.37 120.40 118.68 2dwt s VAL 251 Ca 0.09 -1.56 -0.08 0.00 -1.81 0.00 0.00 61.98 58.62 2dwt s VAL 251 Cb -0.15 -1.34 -0.04 0.00 0.56 0.00 0.00 36.38 35.41 2dwt s VAL 251 CO -0.14 -0.39 0.12 -0.36 -0.31 0.00 0.00 175.10 174.03 2dwt s PHE 252 N -1.93 3.50 -1.48 2.82 0.08 -1.26 -1.52 117.98 118.19 2dwt s PHE 252 Ca 0.04 0.42 -0.13 0.00 0.12 0.00 0.00 56.93 57.39 2dwt s PHE 252 Cb -0.06 -2.01 0.10 0.00 -0.57 0.00 0.00 43.02 40.48 2dwt s PHE 252 CO 0.02 0.55 0.71 -1.71 -0.10 0.00 0.00 175.22 174.70 2dwt n ASN 253 N 2.55 -3.95 0.00 1.36 4.05 -0.76 -3.46 115.26 115.04 2dwt n ASN 253 Ca -0.19 -0.67 0.00 0.00 0.45 0.00 0.00 54.58 54.18 2dwt n ASN 253 Cb 0.54 -3.22 0.00 0.00 1.23 0.00 0.00 39.78 38.33 2dwt n ASN 253 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dwt n GLY 254 N -1.38 0.76 3.59 8.20 0.00 -0.87 -4.77 105.19 110.72 2dwt n GLY 254 Ca 0.03 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2dwt n GLY 254 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt s ALA 255 N -2.79 -1.97 0.45 4.61 0.00 -1.22 -4.62 121.76 116.22 2dwt s ALA 255 Ca 0.00 1.64 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 2dwt s ALA 255 Cb 0.00 -0.86 -0.09 0.00 0.00 0.00 0.00 23.12 22.18 2dwt s ALA 255 CO 0.00 -0.30 1.29 0.28 0.00 0.00 0.00 175.76 177.04 2dwt n VAL 256 N 0.69 2.79 -0.92 0.00 0.31 0.16 -1.64 118.33 119.73 2dwt n VAL 256 Ca -0.08 -0.50 -0.03 0.00 -0.01 0.00 0.00 64.34 63.72 2dwt n VAL 256 Cb 0.58 -1.60 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 2dwt n VAL 256 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dwt n GLY 257 N 0.79 0.28 0.26 2.92 0.00 -1.26 -4.83 105.19 103.35 2dwt n GLY 257 Ca 0.07 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.17 2dwt n GLY 257 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt h ALA 258 N 0.07 1.96 -0.38 4.61 0.00 -1.51 -0.27 119.26 123.76 2dwt h ALA 258 Ca -0.06 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 2dwt h ALA 258 Cb 0.85 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.56 2dwt h ALA 258 CO 0.09 0.03 0.03 1.28 0.00 0.00 0.00 179.25 180.69 2dwt n LEU 259 N -4.52 4.36 0.00 0.00 4.77 -1.26 -4.24 117.00 116.10 2dwt n LEU 259 Ca -0.03 -3.30 -0.25 0.00 -0.03 0.00 0.00 56.01 52.41 2dwt n LEU 259 Cb 0.10 -0.61 -0.03 0.00 -2.33 0.00 0.00 43.42 40.55 2dwt n LEU 259 CO 0.34 0.88 -0.06 0.35 -1.33 0.00 0.00 177.39 177.57 2dwt n THR 260 N -0.67 0.00 0.00 -5.08 -2.24 -0.11 -1.84 114.28 104.34 2dwt n THR 260 Ca 0.29 -1.94 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 2dwt n THR 260 Cb 1.03 0.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 2dwt n THR 260 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dwt n GLY 261 N -0.42 2.97 0.38 3.38 0.00 -1.26 -0.07 105.19 110.17 2dwt n GLY 261 Ca -0.09 0.03 0.20 0.00 0.00 0.00 0.00 46.02 46.15 2dwt n GLY 261 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2dwt h GLU 262 N 0.00 0.00 -0.01 1.61 4.81 -1.93 -0.75 114.58 118.31 2dwt h GLU 262 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2dwt h GLU 262 Cb 0.00 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2dwt h GLU 262 CO 0.00 0.00 -0.05 0.41 -0.73 0.00 0.00 179.01 178.64 2dwt n GLY 263 N -1.49 -0.52 3.76 1.92 0.00 0.90 -4.96 105.19 104.80 2dwt n GLY 263 Ca 0.06 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.33 2dwt n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt s ALA 264 N -2.14 3.68 0.79 4.61 0.00 -0.29 -4.38 121.76 124.02 2dwt s ALA 264 Ca 0.37 1.56 -0.11 0.00 0.00 0.00 0.00 51.96 53.79 2dwt s ALA 264 Cb 0.21 -3.63 0.07 0.00 0.00 0.00 0.00 23.12 19.77 2dwt s ALA 264 CO 0.39 -1.00 1.09 -0.51 0.00 0.00 0.00 175.76 175.72 2dwt s LEU 265 N -1.09 2.77 0.00 0.00 1.43 -0.21 -4.85 118.68 116.73 2dwt s LEU 265 Ca 0.59 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.29 2dwt s LEU 265 Cb -0.47 -4.24 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 2dwt s LEU 265 CO 0.53 -2.05 -0.02 -0.54 0.23 0.00 0.00 176.35 174.50 2dwt s LYS 266 N -4.99 0.18 0.30 1.70 1.02 -1.26 -0.83 119.74 115.86 2dwt s LYS 266 Ca 0.61 -0.17 -0.08 0.00 0.02 0.00 0.00 55.97 56.35 2dwt s LYS 266 Cb -0.16 -0.12 0.03 0.00 -0.52 0.00 0.00 37.83 37.06 2dwt s LYS 266 CO 0.56 0.03 0.54 0.00 -0.92 0.00 0.00 175.35 175.55 2dwt n ALA 267 N 2.78 -1.00 -2.70 5.17 0.00 -0.39 -4.91 120.51 119.46 2dwt n ALA 267 Ca -0.14 -1.09 -0.18 0.00 0.00 0.00 0.00 53.44 52.03 2dwt n ALA 267 Cb 0.59 0.87 -0.12 0.00 0.00 0.00 0.00 19.45 20.78 2dwt n ALA 267 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2dwt s LYS 268 N -2.26 0.83 0.09 0.00 1.02 -1.26 -1.65 119.74 116.50 2dwt s LYS 268 Ca 0.16 -0.85 -0.36 0.00 0.02 0.00 0.00 55.97 54.94 2dwt s LYS 268 Cb -0.03 -0.81 -0.17 0.00 -0.52 0.00 0.00 37.83 36.30 2dwt s LYS 268 CO 0.12 0.19 1.21 0.28 -0.92 0.00 0.00 175.35 176.23 2dwt n VAL 269 N 1.57 0.30 0.00 3.17 0.31 0.53 -0.24 118.33 123.97 2dwt n VAL 269 Ca -0.20 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 2dwt n VAL 269 Cb 0.54 -0.63 0.00 0.00 -0.91 0.00 0.00 33.84 32.85 2dwt n VAL 269 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2dwt n GLY 270 N 2.17 3.29 3.72 2.92 0.00 0.76 -4.97 105.19 113.08 2dwt n GLY 270 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2dwt n GLY 270 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dwt s ASP 271 N -1.06 6.64 -0.44 1.61 -0.00 0.67 -4.72 116.67 119.39 2dwt s ASP 271 Ca 0.00 2.56 -0.21 0.00 -0.00 0.00 0.00 52.55 54.90 2dwt s ASP 271 Cb 0.00 -2.60 0.02 0.00 -0.00 0.00 0.00 42.92 40.35 2dwt s ASP 271 CO 0.00 -0.77 0.69 0.21 -0.00 0.00 0.00 175.17 175.29 2dwt s ASN 272 N 1.04 6.36 -0.12 0.27 2.47 -1.26 -0.98 114.94 122.72 2dwt s ASN 272 Ca 0.68 -0.23 -0.03 0.00 0.42 0.00 0.00 52.86 53.69 2dwt s ASN 272 Cb -0.42 -2.34 -0.03 0.00 -1.45 0.00 0.00 41.25 37.01 2dwt s ASN 272 CO 0.32 -0.81 -0.02 -0.69 -3.72 0.00 0.00 177.10 172.19 2dwt s VAL 273 N 2.96 4.12 -0.23 -5.21 1.01 0.58 -0.55 120.40 123.08 2dwt s VAL 273 Ca 0.25 -0.30 -0.10 0.00 0.00 0.00 0.00 61.98 61.83 2dwt s VAL 273 Cb -0.13 -2.77 -0.05 0.00 0.00 0.00 0.00 36.38 33.42 2dwt s VAL 273 CO 0.20 0.54 0.16 -0.22 0.00 0.00 0.00 175.10 175.78 2dwt s LEU 274 N -0.20 4.13 -0.51 3.92 2.96 0.49 -1.43 118.68 128.04 2dwt s LEU 274 Ca 0.04 0.13 -0.09 0.00 -0.22 0.00 0.00 54.13 53.99 2dwt s LEU 274 Cb -0.13 -2.11 0.13 0.00 0.50 0.00 0.00 46.19 44.59 2dwt s LEU 274 CO 0.02 0.08 0.39 -0.36 -1.32 0.00 0.00 176.35 175.16 2dwt s PHE 275 N 0.97 3.44 -0.13 5.38 0.40 -0.03 -0.91 117.98 127.10 2dwt s PHE 275 Ca 0.08 -1.92 -0.21 0.00 -0.60 0.00 0.00 56.93 54.28 2dwt s PHE 275 Cb -0.13 -3.52 -0.03 0.00 0.51 0.00 0.00 43.02 39.85 2dwt s PHE 275 CO 0.04 -0.99 0.63 0.08 0.70 0.00 0.00 175.22 175.69 2dwt s VAL 276 N 1.19 5.06 -0.10 -0.44 1.01 -0.79 -1.51 120.40 124.82 2dwt s VAL 276 Ca 0.07 1.26 -0.01 0.00 0.00 0.00 0.00 61.98 63.30 2dwt s VAL 276 Cb -0.25 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.20 2dwt s VAL 276 CO -0.01 0.21 -0.02 -2.28 0.00 0.00 0.00 175.10 172.99 2dwt s HIS 277 N 1.23 1.02 0.08 5.22 2.46 -0.58 0.18 115.29 124.90 2dwt s HIS 277 Ca 0.32 -0.47 0.04 0.00 0.47 0.00 0.00 55.06 55.42 2dwt s HIS 277 Cb -0.16 -0.99 -0.04 0.00 -0.13 0.00 0.00 32.58 31.26 2dwt s HIS 277 CO 0.13 -0.43 0.03 -1.54 -2.47 0.00 0.00 174.74 170.46 2dwt s SER 278 N 1.86 5.24 -0.25 9.88 1.04 -0.65 -1.13 113.70 129.68 2dwt s SER 278 Ca 0.04 -0.09 -0.02 0.00 0.48 0.00 0.00 55.95 56.36 2dwt s SER 278 Cb -0.13 -1.33 0.12 0.00 0.10 0.00 0.00 66.02 64.79 2dwt s SER 278 CO -0.07 0.18 0.29 -1.58 0.98 0.00 0.00 173.24 173.05 2dwt s GLN 279 N -2.27 0.29 0.15 4.02 -0.44 -0.27 -0.40 119.66 120.73 2dwt s GLN 279 Ca 0.27 0.15 0.22 0.00 -2.50 0.00 0.00 55.36 53.49 2dwt s GLN 279 Cb -0.12 -0.79 0.87 0.00 -1.64 0.00 0.00 33.01 31.33 2dwt s GLN 279 CO 0.19 -0.81 1.67 -0.35 0.50 0.00 0.00 175.29 176.49 2dwt n PRO 280 N 5.33 0.12 0.00 1.67 -0.04 -1.26 -0.56 135.00 140.27 2dwt n PRO 280 Ca -0.04 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2dwt n PRO 280 Cb 0.48 -1.71 0.00 0.00 -0.04 0.00 0.00 33.50 32.24 2dwt n PRO 280 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2dwt n ASN 281 N -1.94 0.00 -3.66 3.54 2.85 -1.26 -3.00 115.26 111.78 2dwt n ASN 281 Ca 0.04 0.00 -0.13 0.00 -0.11 0.00 0.00 54.58 54.37 2dwt n ASN 281 Cb 0.25 0.00 -0.07 0.00 1.24 0.00 0.00 39.78 41.21 2dwt n ASN 281 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2dwt s ARG 282 N 0.00 0.90 0.60 1.20 3.52 -1.26 -4.72 118.95 119.19 2dwt s ARG 282 Ca 0.00 -0.28 -0.17 0.00 -0.13 0.00 0.00 55.73 55.14 2dwt s ARG 282 Cb 0.00 0.40 -0.03 0.00 -1.56 0.00 0.00 34.95 33.76 2dwt s ARG 282 CO 0.00 -0.30 1.12 -0.51 -0.81 0.00 0.00 175.30 174.80 2dwt s ASP 283 N -1.84 5.43 0.15 -2.12 1.01 -1.26 -3.52 116.67 114.51 2dwt s ASP 283 Ca -0.07 2.09 0.02 0.00 0.71 0.00 0.00 52.55 55.29 2dwt s ASP 283 Cb -0.01 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 2dwt s ASP 283 CO -0.00 -1.42 -0.02 -0.55 0.21 0.00 0.00 175.17 173.39 2dwt s SER 284 N -2.17 1.15 -0.50 0.27 0.15 0.10 -4.86 113.70 107.83 2dwt s SER 284 Ca 0.70 -1.12 0.06 0.00 0.70 0.00 0.00 55.95 56.29 2dwt s SER 284 Cb -0.22 0.12 0.22 0.00 -1.71 0.00 0.00 66.02 64.43 2dwt s SER 284 CO 0.34 -0.54 0.52 -2.11 1.20 0.00 0.00 173.24 172.66 2dwt n ARG 285 N -0.17 1.17 -1.90 5.44 1.85 -1.26 -0.82 116.66 120.97 2dwt n ARG 285 Ca -0.08 -3.73 -0.40 0.00 -1.00 0.00 0.00 57.85 52.64 2dwt n ARG 285 Cb 0.62 -1.73 0.01 0.00 -1.05 0.00 0.00 32.46 30.32 2dwt n ARG 285 CO 0.00 0.00 0.00 -1.25 -0.01 0.00 0.00 177.63 176.37 2dwt s PRO 286 N -1.22 3.79 -0.07 2.89 0.04 -1.11 -0.83 135.00 138.49 2dwt s PRO 286 Ca 0.34 2.31 -0.06 0.00 0.04 0.00 0.00 61.00 63.63 2dwt s PRO 286 Cb 0.10 -2.69 0.02 0.00 0.04 0.00 0.00 34.50 31.97 2dwt s PRO 286 CO -0.12 -0.69 0.19 -1.58 0.04 0.00 0.00 177.00 174.84 2dwt s HIS 287 N -1.23 -0.21 -0.40 0.56 2.46 0.36 -1.65 115.29 115.18 2dwt s HIS 287 Ca 0.59 0.53 -0.12 0.00 0.47 0.00 0.00 55.06 56.53 2dwt s HIS 287 Cb -0.41 0.06 0.04 0.00 -0.13 0.00 0.00 32.58 32.13 2dwt s HIS 287 CO 0.53 -0.11 0.25 -1.17 -2.47 0.00 0.00 174.74 171.77 2dwt s LEU 288 N 0.25 4.93 -0.05 8.88 2.96 -1.26 -1.56 118.68 132.83 2dwt s LEU 288 Ca -0.01 -1.08 -0.30 0.00 -0.22 0.00 0.00 54.13 52.52 2dwt s LEU 288 Cb -0.03 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 2dwt s LEU 288 CO -0.01 -0.44 1.34 -0.63 -1.32 0.00 0.00 176.35 175.29 2dwt s ILE 289 N 1.56 3.96 0.00 6.68 1.01 0.24 -0.67 121.20 133.98 2dwt s ILE 289 Ca 0.03 1.29 0.00 0.00 0.00 0.00 0.00 60.65 61.96 2dwt s ILE 289 Cb -0.20 -3.83 0.00 0.00 0.01 0.00 0.00 42.46 38.44 2dwt s ILE 289 CO 0.07 -0.03 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2dwt n GLY 290 N 3.60 1.09 0.00 6.18 0.00 -1.26 -4.02 105.19 110.77 2dwt n GLY 290 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2dwt n GLY 290 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dwt n GLY 291 N -2.00 5.32 3.57 -0.02 0.00 0.15 -5.00 105.19 107.20 2dwt n GLY 291 Ca 0.00 -1.61 -0.10 0.00 0.00 0.00 0.00 46.02 44.31 2dwt n GLY 291 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2dwt s HIS 292 N -0.89 0.54 -0.37 1.61 0.09 -1.26 -4.75 115.29 110.26 2dwt s HIS 292 Ca 0.00 -0.89 -0.17 0.00 -0.00 0.00 0.00 55.06 54.00 2dwt s HIS 292 Cb 0.00 0.14 0.00 0.00 -0.00 0.00 0.00 32.58 32.72 2dwt s HIS 292 CO 0.00 -1.05 0.46 0.20 -0.00 0.00 0.00 174.74 174.35 2dwt s GLY 293 N -3.08 1.85 0.01 -2.22 0.00 -0.52 -4.69 107.32 98.68 2dwt s GLY 293 Ca 0.24 -1.21 -0.25 0.00 0.00 0.00 0.00 44.72 43.50 2dwt s GLY 293 CO 0.12 1.19 1.34 -0.55 0.00 0.00 0.00 173.10 175.20 2dwt h ASP 294 N 8.56 -0.16 -3.36 1.64 3.32 -1.13 -0.62 116.42 124.66 2dwt h ASP 294 Ca -0.28 -0.26 -0.50 0.00 0.02 0.00 0.00 57.03 56.02 2dwt h ASP 294 Cb 1.12 0.04 -0.34 0.00 0.22 0.00 0.00 39.33 40.37 2dwt h ASP 294 CO 0.77 0.18 -0.80 -0.76 -1.72 0.00 0.00 179.24 176.90 2dwt s LEU 295 N -9.53 1.46 -0.08 1.55 1.43 -1.11 -2.88 118.68 109.52 2dwt s LEU 295 Ca -0.15 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.70 2dwt s LEU 295 Cb 0.03 -0.76 0.02 0.00 0.03 0.00 0.00 46.19 45.50 2dwt s LEU 295 CO 0.61 -0.02 -0.10 -0.69 0.23 0.00 0.00 176.35 176.39 2dwt s VAL 296 N 0.98 1.02 -0.80 -1.59 1.01 0.37 0.33 120.40 121.72 2dwt s VAL 296 Ca -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2dwt s VAL 296 Cb -0.15 -0.98 0.20 0.00 0.00 0.00 0.00 36.38 35.46 2dwt s VAL 296 CO 0.00 0.34 0.68 0.26 0.00 0.00 0.00 175.10 176.39 2dwt s TRP 297 N 1.08 3.72 0.25 5.22 0.51 -0.07 -0.59 118.94 129.05 2dwt s TRP 297 Ca -0.07 -2.66 0.15 0.00 -2.12 0.00 0.00 56.10 51.40 2dwt s TRP 297 Cb -0.14 -3.41 0.57 0.00 -0.81 0.00 0.00 33.47 29.68 2dwt s TRP 297 CO -0.01 -0.85 1.70 1.05 -0.51 0.00 0.00 176.95 178.33 2dwt h GLU 298 N 6.84 0.00 -0.00 4.98 4.11 -1.88 -0.56 114.58 128.07 2dwt h GLU 298 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.52 2dwt h GLU 298 Cb 0.92 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2dwt h GLU 298 CO 0.79 0.47 -0.01 0.25 0.07 0.00 0.00 179.01 180.58 2dwt n THR 299 N -3.72 0.00 -0.62 -1.06 -2.24 -1.26 -4.16 114.28 101.22 2dwt n THR 299 Ca -0.01 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.77 2dwt n THR 299 Cb 0.53 -0.47 0.00 0.00 -2.10 0.00 0.00 70.33 68.29 2dwt n THR 299 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dwt n GLY 300 N 1.29 0.71 3.12 3.38 0.00 -0.31 -4.80 105.19 108.58 2dwt n GLY 300 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 2dwt n GLY 300 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dwt s LYS 301 N -0.38 2.64 0.49 1.61 -0.14 -1.26 -1.17 119.74 121.52 2dwt s LYS 301 Ca 0.00 -1.08 0.32 0.00 -1.36 0.00 0.00 55.97 53.85 2dwt s LYS 301 Cb 0.00 -2.82 1.41 0.00 -1.68 0.00 0.00 37.83 34.73 2dwt s LYS 301 CO 0.00 -0.41 1.96 0.74 -0.76 0.00 0.00 175.35 176.88 2dwt h PHE 302 N 7.89 0.00 0.00 3.18 0.04 -1.91 -0.60 116.94 125.54 2dwt h PHE 302 Ca -0.31 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.46 2dwt h PHE 302 Cb 1.09 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.24 2dwt h PHE 302 CO 0.57 0.00 0.00 0.72 -0.60 0.00 0.00 178.31 179.00 2dwt n HIS 303 N -2.85 0.00 -3.00 -0.55 8.25 -1.26 -4.79 115.22 111.01 2dwt n HIS 303 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.13 2dwt n HIS 303 Cb 0.25 -0.38 -0.06 0.00 1.12 0.00 0.00 29.99 30.91 2dwt n HIS 303 CO 0.00 0.00 0.00 -0.80 0.64 0.00 0.00 176.34 176.18 2dwt s ASN 304 N -2.76 6.94 0.16 0.41 0.01 -0.24 -5.00 114.94 114.47 2dwt s ASN 304 Ca 0.20 1.48 -0.32 0.00 -0.71 0.00 0.00 52.86 53.52 2dwt s ASN 304 Cb 0.18 -2.45 -0.11 0.00 0.41 0.00 0.00 41.25 39.27 2dwt s ASN 304 CO 0.45 -0.18 1.78 0.00 -1.51 0.00 0.00 177.10 177.63 2dwt n ALA 305 N -0.12 2.48 -1.87 0.60 0.00 -1.26 -4.98 120.51 115.36 2dwt n ALA 305 Ca 0.03 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.52 2dwt n ALA 305 Cb 0.53 -2.55 0.01 0.00 0.00 0.00 0.00 19.45 17.43 2dwt n ALA 305 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2dwt s PRO 306 N 1.93 3.60 0.31 0.00 0.04 -1.26 -4.92 135.00 134.71 2dwt s PRO 306 Ca 0.79 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.57 2dwt s PRO 306 Cb -0.50 -2.08 -0.04 0.00 0.04 0.00 0.00 34.50 31.92 2dwt s PRO 306 CO 0.35 -0.57 0.53 -1.21 0.04 0.00 0.00 177.00 176.14 2dwt s GLU 307 N -5.15 3.52 0.18 4.56 2.02 0.25 -4.69 118.70 119.37 2dwt s GLU 307 Ca 0.55 -0.27 0.10 0.00 0.02 0.00 0.00 54.97 55.37 2dwt s GLU 307 Cb -0.11 -2.69 -0.04 0.00 0.10 0.00 0.00 34.13 31.39 2dwt s GLU 307 CO 0.54 0.20 -0.21 1.03 0.02 0.00 0.00 175.26 176.83 2dwt s ARG 308 N -4.01 1.38 -1.04 1.61 0.52 -1.26 -0.48 118.95 115.67 2dwt s ARG 308 Ca 0.41 -1.45 0.00 0.00 -0.52 0.00 0.00 55.73 54.16 2dwt s ARG 308 Cb -0.10 -1.57 0.00 0.00 0.52 0.00 0.00 34.95 33.80 2dwt s ARG 308 CO 0.34 0.33 0.00 -0.25 0.02 0.00 0.00 175.30 175.74 2dwt n ASP 309 N 0.31 -3.87 -4.78 0.23 8.00 -0.34 -4.97 116.55 111.13 2dwt n ASP 309 Ca -0.13 0.03 -0.37 0.00 0.71 0.00 0.00 54.79 55.03 2dwt n ASP 309 Cb 0.56 -2.99 -0.05 0.00 -0.02 0.00 0.00 41.12 38.62 2dwt n ASP 309 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2dwt s LEU 310 N -3.29 4.21 -0.07 0.64 1.43 -0.64 -4.81 118.68 116.15 2dwt s LEU 310 Ca 0.00 1.96 -0.14 0.00 -1.03 0.00 0.00 54.13 54.92 2dwt s LEU 310 Cb 0.00 -4.13 -0.29 0.00 0.03 0.00 0.00 46.19 41.79 2dwt s LEU 310 CO 0.00 -0.33 0.65 1.05 0.23 0.00 0.00 176.35 177.95 2dwt h GLU 311 N 2.73 0.33 -3.35 1.70 4.11 -1.92 -1.38 114.58 116.81 2dwt h GLU 311 Ca -0.48 -0.57 -0.16 0.00 0.07 0.00 0.00 59.36 58.22 2dwt h GLU 311 Cb 1.20 0.21 -0.24 0.00 0.50 0.00 0.00 28.75 30.43 2dwt h GLU 311 CO 0.63 1.27 -0.48 0.99 0.07 0.00 0.00 179.01 181.49 2dwt s THR 312 N -2.53 0.03 0.37 -1.06 2.01 -1.26 -4.16 115.64 109.04 2dwt s THR 312 Ca -0.17 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.57 2dwt s THR 312 Cb 0.05 -0.35 -0.00 0.00 0.01 0.00 0.00 72.50 72.21 2dwt s THR 312 CO 0.82 -0.15 0.04 -2.67 -0.69 0.00 0.00 174.62 171.97 2dwt n TRP 313 N 2.35 0.61 -3.89 4.92 2.14 -0.66 -4.99 117.44 117.92 2dwt n TRP 313 Ca -0.17 -2.00 -0.27 0.00 2.07 0.00 0.00 57.50 57.13 2dwt n TRP 313 Cb 0.57 -0.16 -0.17 0.00 -0.81 0.00 0.00 31.31 30.74 2dwt n TRP 313 CO 0.00 0.00 0.00 0.12 2.07 0.00 0.00 177.69 179.88 2dwt s PHE 314 N -2.56 1.46 -0.35 -2.67 5.36 -1.26 -2.73 117.98 115.23 2dwt s PHE 314 Ca 0.06 -0.76 -0.12 0.00 -0.96 0.00 0.00 56.93 55.15 2dwt s PHE 314 Cb 0.00 -1.21 -0.00 0.00 -0.34 0.00 0.00 43.02 41.47 2dwt s PHE 314 CO 0.04 -0.52 0.22 0.42 -1.46 0.00 0.00 175.22 173.92 2dwt s ILE 315 N 1.72 4.98 0.08 3.12 -1.09 0.00 -4.58 121.20 125.43 2dwt s ILE 315 Ca 0.04 -0.42 -0.31 0.00 -2.23 0.00 0.00 60.65 57.73 2dwt s ILE 315 Cb -0.13 -3.61 -0.07 0.00 -1.58 0.00 0.00 42.46 37.07 2dwt s ILE 315 CO -0.08 -0.06 1.36 -0.13 -1.23 0.00 0.00 174.94 174.80 2dwt s ARG 316 N 1.66 4.33 0.17 2.79 0.52 -1.26 0.03 118.95 127.19 2dwt s ARG 316 Ca 0.05 2.00 -0.34 0.00 -0.52 0.00 0.00 55.73 56.93 2dwt s ARG 316 Cb -0.18 -3.33 -0.15 0.00 0.52 0.00 0.00 34.95 31.82 2dwt s ARG 316 CO 0.09 -0.43 1.42 0.41 0.02 0.00 0.00 175.30 176.81 2dwt n GLY 317 N 3.48 0.74 0.64 -3.53 0.00 -1.23 -1.56 105.19 103.74 2dwt n GLY 317 Ca 0.11 0.60 0.00 0.00 0.00 0.00 0.00 46.02 46.74 2dwt n GLY 317 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dwt n GLY 318 N 2.68 0.81 3.64 -0.02 0.00 0.28 -4.74 105.19 107.83 2dwt n GLY 318 Ca 0.15 -0.29 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 2dwt n GLY 318 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dwt s SER 319 N -2.26 -0.21 0.01 1.61 1.04 -0.60 -4.80 113.70 108.49 2dwt s SER 319 Ca 0.00 -0.65 0.06 0.00 0.48 0.00 0.00 55.95 55.83 2dwt s SER 319 Cb 0.00 0.63 -0.02 0.00 0.10 0.00 0.00 66.02 66.73 2dwt s SER 319 CO 0.00 -1.17 -0.17 0.00 0.98 0.00 0.00 173.24 172.88 2dwt s ALA 320 N -3.93 1.44 0.50 5.32 0.00 -1.26 -1.12 121.76 122.71 2dwt s ALA 320 Ca 0.14 -0.83 0.02 0.00 0.00 0.00 0.00 51.96 51.28 2dwt s ALA 320 Cb -0.02 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 2dwt s ALA 320 CO 0.04 0.33 0.01 0.20 0.00 0.00 0.00 175.76 176.34 2dwt s GLY 321 N -0.75 2.97 -0.08 0.00 0.00 -0.28 -3.80 107.32 105.37 2dwt s GLY 321 Ca 0.06 -0.54 -0.07 0.00 0.00 0.00 0.00 44.72 44.17 2dwt s GLY 321 CO 0.00 -2.17 0.21 0.00 0.00 0.00 0.00 173.10 171.15 2dwt s ALA 322 N -2.90 -0.51 -0.04 3.20 0.00 -0.66 -1.52 121.76 119.33 2dwt s ALA 322 Ca 0.09 0.69 0.02 0.00 0.00 0.00 0.00 51.96 52.75 2dwt s ALA 322 Cb 0.02 -0.41 0.01 0.00 0.00 0.00 0.00 23.12 22.74 2dwt s ALA 322 CO 0.05 -0.12 -0.09 0.00 0.00 0.00 0.00 175.76 175.59 2dwt s ALA 323 N 0.42 0.93 -0.01 0.00 0.00 -0.57 -0.89 121.76 121.64 2dwt s ALA 323 Ca -0.03 -0.30 -0.09 0.00 0.00 0.00 0.00 51.96 51.55 2dwt s ALA 323 Cb -0.04 -0.40 -0.05 0.00 0.00 0.00 0.00 23.12 22.63 2dwt s ALA 323 CO -0.02 0.11 0.29 -0.51 0.00 0.00 0.00 175.76 175.62 2dwt s LEU 324 N 0.45 4.40 -0.10 0.00 1.43 0.15 -0.85 118.68 124.16 2dwt s LEU 324 Ca -0.08 0.66 -0.06 0.00 -1.03 0.00 0.00 54.13 53.62 2dwt s LEU 324 Cb -0.12 -2.55 0.04 0.00 0.03 0.00 0.00 46.19 43.59 2dwt s LEU 324 CO 0.01 0.30 0.24 -0.47 0.23 0.00 0.00 176.35 176.65 2dwt s TYR 325 N -1.20 -0.30 -0.36 0.29 5.04 -0.52 -0.53 117.35 119.78 2dwt s TYR 325 Ca 0.24 0.71 -0.12 0.00 -2.44 0.00 0.00 57.07 55.47 2dwt s TYR 325 Cb -0.14 0.06 0.01 0.00 0.35 0.00 0.00 41.96 42.23 2dwt s TYR 325 CO 0.13 -0.19 0.23 0.21 -1.34 0.00 0.00 175.55 174.59 2dwt s LYS 326 N 0.87 3.13 0.26 4.97 2.20 -1.26 -0.31 119.74 129.60 2dwt s LYS 326 Ca -0.06 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.36 2dwt s LYS 326 Cb -0.07 -3.79 -0.10 0.00 -1.51 0.00 0.00 37.83 32.35 2dwt s LYS 326 CO -0.05 -0.60 1.50 -0.06 -0.36 0.00 0.00 175.35 175.78 2dwt s PHE 327 N 1.64 2.93 -0.04 4.03 0.08 -0.15 -4.87 117.98 121.60 2dwt s PHE 327 Ca 0.04 0.91 0.08 0.00 0.12 0.00 0.00 56.93 58.08 2dwt s PHE 327 Cb -0.18 -3.91 -0.12 0.00 -0.57 0.00 0.00 43.02 38.24 2dwt s PHE 327 CO 0.08 -3.05 0.12 1.28 -0.10 0.00 0.00 175.22 173.56 2dwt n LEU 328 N 2.43 0.00 -4.08 -0.37 4.77 -1.26 -0.17 117.00 118.33 2dwt n LEU 328 Ca 0.08 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.85 2dwt n LEU 328 Cb 0.39 0.08 -0.15 0.00 -2.33 0.00 0.00 43.42 41.41 2dwt n LEU 328 CO 0.62 0.08 -0.46 -1.10 -1.33 0.00 0.00 177.39 175.20 2dwt s GLN 329 N -2.42 1.00 0.76 3.23 -1.52 -1.26 -4.70 119.66 114.75 2dwt s GLN 329 Ca -0.03 -0.44 -0.12 0.00 -1.95 0.00 0.00 55.36 52.82 2dwt s GLN 329 Cb 0.04 -0.97 0.05 0.00 -0.22 0.00 0.00 33.01 31.91 2dwt s GLN 329 CO 0.34 0.26 1.13 -1.25 -0.25 0.00 0.00 175.29 175.52 2dwt s PRO 330 N -0.27 2.41 0.00 2.91 0.04 -1.26 -4.84 135.00 133.99 2dwt s PRO 330 Ca 0.04 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.36 2dwt s PRO 330 Cb -0.05 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 32.50 2dwt s PRO 330 CO -0.00 -1.31 0.00 0.41 0.04 0.00 0.00 177.00 176.14 2dwt n GLY 331 N -3.15 0.60 3.72 0.56 0.00 0.13 -4.94 105.19 102.12 2dwt n GLY 331 Ca 0.07 -2.29 -0.41 0.00 0.00 0.00 0.00 46.02 43.40 2dwt n GLY 331 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dwt s VAL 332 N -0.61 4.81 0.28 1.61 1.01 -1.26 -1.06 120.40 125.19 2dwt s VAL 332 Ca 0.00 1.80 0.10 0.00 0.00 0.00 0.00 61.98 63.88 2dwt s VAL 332 Cb 0.00 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 32.13 2dwt s VAL 332 CO 0.00 0.26 -0.07 -0.31 0.00 0.00 0.00 175.10 174.98 2dwt s TYR 333 N 0.50 2.52 -0.04 5.22 1.51 0.74 -4.98 117.35 122.82 2dwt s TYR 333 Ca 0.44 -0.30 0.05 0.00 -1.01 0.00 0.00 57.07 56.25 2dwt s TYR 333 Cb -0.20 -1.17 -0.01 0.00 -0.11 0.00 0.00 41.96 40.47 2dwt s TYR 333 CO 0.25 0.63 -0.19 0.00 -1.11 0.00 0.00 175.55 175.13 2dwt s ALA 334 N -2.43 1.62 -0.24 3.71 0.00 -1.26 -0.83 121.76 122.34 2dwt s ALA 334 Ca 0.31 -0.77 -0.07 0.00 0.00 0.00 0.00 51.96 51.44 2dwt s ALA 334 Cb -0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 23.12 22.55 2dwt s ALA 334 CO 0.18 0.32 0.05 -0.47 0.00 0.00 0.00 175.76 175.84 2dwt s TYR 335 N -0.11 3.07 0.08 0.00 5.04 0.13 -0.60 117.35 124.96 2dwt s TYR 335 Ca -0.01 -0.46 0.04 0.00 -2.44 0.00 0.00 57.07 54.20 2dwt s TYR 335 Cb -0.11 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.97 2dwt s TYR 335 CO 0.02 -0.34 -0.11 0.14 -1.34 0.00 0.00 175.55 173.91 2dwt s VAL 336 N 1.49 0.92 -0.10 3.14 -7.23 -0.60 -0.39 120.40 117.63 2dwt s VAL 336 Ca 0.06 -1.42 -0.29 0.00 -1.81 0.00 0.00 61.98 58.52 2dwt s VAL 336 Cb -0.15 -1.11 -0.04 0.00 0.56 0.00 0.00 36.38 35.64 2dwt s VAL 336 CO 0.03 -0.41 1.52 0.21 -0.31 0.00 0.00 175.10 176.14 2dwt s ASN 337 N -2.03 6.75 -0.08 4.85 3.84 -1.02 -0.49 114.94 126.75 2dwt s ASN 337 Ca -0.00 2.02 0.04 0.00 0.21 0.00 0.00 52.86 55.12 2dwt s ASN 337 Cb -0.07 -2.53 0.23 0.00 -0.55 0.00 0.00 41.25 38.33 2dwt s ASN 337 CO 0.01 -0.88 0.95 1.57 -2.79 0.00 0.00 177.10 175.95 2dwt n HIS 338 N 7.01 0.67 -2.99 0.43 -0.00 -0.02 -3.74 115.22 116.59 2dwt n HIS 338 Ca 0.16 -0.35 -0.43 0.00 -0.00 0.00 0.00 57.72 57.10 2dwt n HIS 338 Cb 0.44 -0.27 -0.05 0.00 -0.00 0.00 0.00 29.99 30.11 2dwt n HIS 338 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 2dwt s ASN 339 N -0.12 6.23 0.57 0.26 3.04 -1.26 -4.89 114.94 118.77 2dwt s ASN 339 Ca 0.16 -0.87 0.36 0.00 0.04 0.00 0.00 52.86 52.55 2dwt s ASN 339 Cb 0.13 -2.36 1.60 0.00 -1.54 0.00 0.00 41.25 39.07 2dwt s ASN 339 CO 0.04 -1.16 2.06 -0.07 -3.04 0.00 0.00 177.10 174.94 2dwt h LEU 340 N 10.51 0.00 -0.60 3.21 3.38 -1.99 0.46 115.31 130.28 2dwt h LEU 340 Ca -0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2dwt h LEU 340 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2dwt h LEU 340 CO 1.08 0.00 0.15 0.40 0.09 0.00 0.00 178.44 180.15 2dwt h ILE 341 N 0.00 1.25 -0.34 1.22 2.04 -1.90 -0.14 117.51 119.64 2dwt h ILE 341 Ca 0.00 -0.91 -0.13 0.00 1.00 0.00 0.00 64.86 64.82 2dwt h ILE 341 Cb 0.39 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 2dwt h ILE 341 CO 0.00 0.34 -0.32 -0.33 0.00 0.00 0.00 178.15 177.84 2dwt h GLU 342 N 0.88 0.75 -0.35 2.37 5.08 -0.47 0.13 114.58 122.97 2dwt h GLU 342 Ca 0.19 -0.35 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2dwt h GLU 342 Cb 0.35 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2dwt h GLU 342 CO 0.00 0.96 -0.33 0.00 -1.00 0.00 0.00 179.01 178.65 2dwt h ALA 343 N 1.01 0.51 0.00 3.43 0.00 -0.79 -1.25 119.26 122.17 2dwt h ALA 343 Ca 0.07 -0.43 -0.28 0.00 0.00 0.00 0.00 54.91 54.27 2dwt h ALA 343 Cb 0.85 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2dwt h ALA 343 CO 0.07 0.57 -1.89 0.28 0.00 0.00 0.00 179.25 178.29 2dwt n VAL 344 N -4.15 1.26 0.13 0.00 0.31 -0.08 -2.39 118.33 113.41 2dwt n VAL 344 Ca -0.03 -0.19 -0.01 0.00 -0.01 0.00 0.00 64.34 64.10 2dwt n VAL 344 Cb 0.51 -1.89 0.15 0.00 -0.91 0.00 0.00 33.84 31.70 2dwt n VAL 344 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 2dwt h HIS 345 N -0.79 0.00 0.00 3.52 3.86 -0.93 -3.36 115.15 117.45 2dwt h HIS 345 Ca -0.43 0.00 -0.23 0.00 -1.16 0.00 0.00 60.37 58.55 2dwt h HIS 345 Cb 1.32 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.75 2dwt h HIS 345 CO -0.13 0.64 -2.24 1.63 0.86 0.00 0.00 177.93 178.68 2dwt n LYS 346 N -3.72 0.69 0.00 2.45 4.76 -0.57 -4.99 118.16 116.78 2dwt n LYS 346 Ca -0.01 -0.08 0.00 0.00 -2.87 0.00 0.00 58.31 55.35 2dwt n LYS 346 Cb 0.64 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.32 2dwt n LYS 346 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2dwt n GLY 347 N 1.58 0.69 2.27 0.72 0.00 -0.59 -0.99 105.19 108.86 2dwt n GLY 347 Ca -0.22 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 2dwt n GLY 347 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dwt n ALA 348 N 0.00 7.17 -3.42 4.61 0.00 0.50 -4.14 120.51 125.21 2dwt n ALA 348 Ca 0.00 -3.19 -0.22 0.00 0.00 0.00 0.00 53.44 50.03 2dwt n ALA 348 Cb 0.00 -3.01 -0.16 0.00 0.00 0.00 0.00 19.45 16.28 2dwt n ALA 348 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2dwt s THR 349 N 1.29 0.84 0.22 0.00 2.01 -1.14 -2.45 115.64 116.40 2dwt s THR 349 Ca 0.67 -0.33 0.11 0.00 0.31 0.00 0.00 61.69 62.45 2dwt s THR 349 Cb 0.22 -0.79 -0.05 0.00 0.01 0.00 0.00 72.50 71.89 2dwt s THR 349 CO -0.06 0.28 -0.22 0.00 -0.69 0.00 0.00 174.62 173.94 2dwt s ALA 350 N 0.64 2.52 0.07 7.40 0.00 0.48 -4.55 121.76 128.31 2dwt s ALA 350 Ca -0.11 -1.69 0.08 0.00 0.00 0.00 0.00 51.96 50.23 2dwt s ALA 350 Cb -0.14 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.66 2dwt s ALA 350 CO 0.02 0.35 -0.18 -1.01 0.00 0.00 0.00 175.76 174.94 2dwt s HIS 351 N -2.00 2.54 -0.10 0.00 3.76 -0.77 0.18 115.29 118.91 2dwt s HIS 351 Ca 0.23 -0.26 0.03 0.00 -0.15 0.00 0.00 55.06 54.90 2dwt s HIS 351 Cb -0.07 -1.42 0.01 0.00 1.11 0.00 0.00 32.58 32.21 2dwt s HIS 351 CO 0.11 0.29 -0.19 0.08 -0.85 0.00 0.00 174.74 174.18 2dwt s VAL 352 N -0.99 1.76 -0.23 -0.90 1.01 -0.01 -1.05 120.40 119.99 2dwt s VAL 352 Ca 0.16 -0.83 -0.07 0.00 0.00 0.00 0.00 61.98 61.24 2dwt s VAL 352 Cb -0.10 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 2dwt s VAL 352 CO 0.07 0.49 0.06 -0.76 0.00 0.00 0.00 175.10 174.96 2dwt s LEU 353 N 0.62 3.51 -0.12 3.92 1.43 -0.01 -0.18 118.68 127.84 2dwt s LEU 353 Ca -0.14 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 52.84 2dwt s LEU 353 Cb -0.16 -1.93 0.02 0.00 0.03 0.00 0.00 46.19 44.15 2dwt s LEU 353 CO 0.04 0.02 -0.15 -0.69 0.23 0.00 0.00 176.35 175.80 2dwt s VAL 354 N 1.29 1.56 0.21 -1.59 1.01 -0.23 -1.26 120.40 121.39 2dwt s VAL 354 Ca 0.05 -0.66 0.05 0.00 0.00 0.00 0.00 61.98 61.41 2dwt s VAL 354 Cb -0.15 -1.44 -0.03 0.00 0.00 0.00 0.00 36.38 34.76 2dwt s VAL 354 CO 0.03 0.46 0.28 -1.83 0.00 0.00 0.00 175.10 174.04 2dwt s GLU 355 N 1.14 3.28 0.00 2.72 -1.05 -0.66 0.22 118.70 124.35 2dwt s GLU 355 Ca -0.03 -0.79 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 2dwt s GLU 355 Cb -0.14 -2.82 0.00 0.00 -0.44 0.00 0.00 34.13 30.73 2dwt s GLU 355 CO -0.05 0.45 0.00 0.41 0.95 0.00 0.00 175.26 177.03 2dwt n GLY 356 N -1.03 -0.08 3.72 -3.83 0.00 -1.26 -0.34 105.19 102.36 2dwt n GLY 356 Ca -0.08 -1.77 -0.40 0.00 0.00 0.00 0.00 46.02 43.77 2dwt n GLY 356 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dwt s GLU 357 N -1.29 4.44 0.29 1.61 2.02 -1.26 -4.67 118.70 119.84 2dwt s GLU 357 Ca 0.00 0.90 -0.29 0.00 0.02 0.00 0.00 54.97 55.60 2dwt s GLU 357 Cb 0.00 -3.43 -0.10 0.00 0.10 0.00 0.00 34.13 30.70 2dwt s GLU 357 CO 0.00 0.10 1.31 -0.46 0.02 0.00 0.00 175.26 176.22 2dwt s TRP 358 N 0.68 3.12 -0.35 1.61 -0.11 -1.26 -4.45 118.94 118.19 2dwt s TRP 358 Ca 0.38 1.35 -0.02 0.00 1.22 0.00 0.00 56.10 59.03 2dwt s TRP 358 Cb -0.18 -3.65 0.08 0.00 -1.50 0.00 0.00 33.47 28.21 2dwt s TRP 358 CO 0.19 -1.87 0.08 0.34 -4.62 0.00 0.00 176.95 171.07 2dwt s ASP 359 N -0.25 5.02 0.57 5.86 2.15 -1.26 -4.97 116.67 123.79 2dwt s ASP 359 Ca 0.51 -1.65 0.34 0.00 0.43 0.00 0.00 52.55 52.18 2dwt s ASP 359 Cb -0.39 -1.75 1.72 0.00 -0.30 0.00 0.00 42.92 42.20 2dwt s ASP 359 CO 0.48 -0.38 2.14 0.78 -0.17 0.00 0.00 175.17 178.02 2dwt h ASN 360 N 7.98 0.00 -0.82 -0.34 2.35 -1.97 -2.74 115.58 120.04 2dwt h ASN 360 Ca -0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2dwt h ASN 360 Cb 1.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.38 2dwt h ASN 360 CO 0.59 0.06 0.52 -0.78 -1.65 0.00 0.00 177.43 176.17 2dwt h ASP 361 N 0.00 0.96 -0.23 5.81 3.58 -2.02 -3.10 116.42 121.41 2dwt h ASP 361 Ca -0.00 -0.05 -0.15 0.00 0.42 0.00 0.00 57.03 57.25 2dwt h ASP 361 Cb 0.27 -0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.08 2dwt h ASP 361 CO 0.01 0.72 -0.45 -0.07 -2.88 0.00 0.00 179.24 176.56 2dwt h LEU 362 N 1.11 0.80 -7.18 2.28 3.38 -1.93 -3.46 115.31 110.31 2dwt h LEU 362 Ca 0.30 -0.54 -0.08 0.00 0.09 0.00 0.00 57.88 57.64 2dwt h LEU 362 Cb -0.08 -0.23 -0.21 0.00 0.09 0.00 0.00 40.66 40.22 2dwt h LEU 362 CO -0.06 1.20 -0.04 -0.32 0.09 0.00 0.00 178.44 179.31 2dwt s MET 363 N -4.09 0.75 -0.16 1.13 0.00 -1.13 -5.15 119.30 110.65 2dwt s MET 363 Ca -0.12 0.50 -0.11 0.00 0.00 0.00 0.00 55.69 55.96 2dwt s MET 363 Cb 0.08 0.36 0.05 0.00 0.00 0.00 0.00 34.83 35.32 2dwt s MET 363 CO 0.85 -0.15 0.39 -2.00 0.00 0.00 0.00 175.02 174.11 2dwt s GLU 364 N -0.32 0.40 -0.71 4.11 2.12 -1.25 -4.14 118.70 118.92 2dwt s GLU 364 Ca -0.05 0.67 -0.27 0.00 0.36 0.00 0.00 54.97 55.68 2dwt s GLU 364 Cb -0.03 0.06 0.02 0.00 0.26 0.00 0.00 34.13 34.45 2dwt s GLU 364 CO 0.03 -0.12 1.33 -1.14 -0.54 0.00 0.00 175.26 174.82 2dwt s GLN 365 N 0.92 3.18 0.12 4.30 0.74 -1.26 -4.86 119.66 122.80 2dwt s GLN 365 Ca -0.06 -0.09 -0.14 0.00 0.05 0.00 0.00 55.36 55.12 2dwt s GLN 365 Cb -0.06 -4.18 -0.04 0.00 1.10 0.00 0.00 33.01 29.83 2dwt s GLN 365 CO -0.07 -2.15 1.51 0.28 -0.55 0.00 0.00 175.29 174.31 2dwt h VAL 366 N 6.13 1.28 -3.29 1.34 2.07 -2.02 -3.41 116.25 118.35 2dwt h VAL 366 Ca -0.27 -1.21 -0.41 0.00 0.82 0.00 0.00 66.70 65.62 2dwt h VAL 366 Cb 1.06 1.30 -0.38 0.00 -1.52 0.00 0.00 31.29 31.75 2dwt h VAL 366 CO 1.26 0.40 -0.76 -0.69 0.02 0.00 0.00 177.57 177.80 2dwt s VAL 367 N -4.73 0.23 0.88 2.57 1.01 -1.26 -5.15 120.40 113.96 2dwt s VAL 367 Ca -0.13 0.20 -0.11 0.00 0.00 0.00 0.00 61.98 61.94 2dwt s VAL 367 Cb 0.10 -0.41 0.12 0.00 0.00 0.00 0.00 36.38 36.19 2dwt s VAL 367 CO 0.81 0.23 1.09 0.00 0.00 0.00 0.00 175.10 177.23 2dwt s ALA 368 N 1.93 1.64 -0.52 5.51 0.00 -1.26 -4.85 121.76 124.21 2dwt s ALA 368 Ca 0.03 -0.02 -0.33 0.00 0.00 0.00 0.00 51.96 51.65 2dwt s ALA 368 Cb -0.12 -3.20 -0.13 0.00 0.00 0.00 0.00 23.12 19.66 2dwt s ALA 368 CO -0.04 -2.27 2.34 -2.30 0.00 0.00 0.00 175.76 173.49 2dwt n PRO 369 N -3.83 0.78 -4.35 0.00 -0.02 -1.26 -4.94 135.00 121.37 2dwt n PRO 369 Ca 0.07 0.15 -0.20 0.00 -2.02 0.00 0.00 63.50 61.50 2dwt n PRO 369 Cb 0.55 -2.40 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 2dwt n PRO 369 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2dwt s VAL 370 N 8.60 1.16 0.71 -1.45 0.11 -1.26 -5.14 120.40 123.12 2dwt s VAL 370 Ca 1.13 -1.05 -0.16 0.00 -2.93 0.00 0.00 61.98 58.97 2dwt s VAL 370 Cb -0.84 -1.05 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2dwt s VAL 370 CO 0.45 -0.01 0.67 0.61 -3.33 0.00 0.00 175.10 173.50 2dwt n GLY 371 N 1.82 -1.17 0.07 6.54 0.00 -1.26 -5.26 105.19 105.93 2dwt n GLY 371 Ca -0.18 -0.35 0.16 0.00 0.00 0.00 0.00 46.02 45.64 2dwt n GLY 371 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36