#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duo n HIS 53 N 0.00 0.77 -1.64 -0.32 8.25 -1.26 -4.99 115.22 116.03 2duo n HIS 53 Ca 0.00 -0.54 -0.47 0.00 -0.26 0.00 0.00 57.72 56.44 2duo n HIS 53 Cb 0.00 -0.07 -0.04 0.00 1.12 0.00 0.00 29.99 31.00 2duo n HIS 53 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 2duo n LEU 54 N 0.83 2.52 -4.20 2.41 7.94 -1.26 -0.30 117.00 124.94 2duo n LEU 54 Ca 0.18 1.12 -0.41 0.00 -1.11 0.00 0.00 56.01 55.79 2duo n LEU 54 Cb 0.57 -1.34 -0.07 0.00 0.53 0.00 0.00 43.42 43.12 2duo n LEU 54 CO 0.13 -0.69 0.18 -0.54 -1.11 0.00 0.00 177.39 175.36 2duo s LYS 55 N 0.19 2.95 0.38 1.96 -0.14 0.12 -4.84 119.74 120.36 2duo s LYS 55 Ca 0.76 -2.43 0.08 0.00 -1.36 0.00 0.00 55.97 53.01 2duo s LYS 55 Cb -0.76 -4.02 0.81 0.00 -1.68 0.00 0.00 37.83 32.18 2duo s LYS 55 CO 0.46 -1.22 1.95 -0.09 -0.76 0.00 0.00 175.35 175.69 2duo h ARG 56 N 7.45 0.66 0.00 1.68 9.65 -1.93 -1.02 114.38 130.87 2duo h ARG 56 Ca 0.01 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2duo h ARG 56 Cb 1.00 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.43 2duo h ARG 56 CO 0.74 0.44 0.00 1.05 2.80 0.00 0.00 179.97 185.00 2duo h GLU 57 N 0.68 0.00 -0.34 0.20 9.09 -1.96 -1.89 114.58 120.36 2duo h GLU 57 Ca 0.32 0.00 -0.06 0.00 0.05 0.00 0.00 59.36 59.67 2duo h GLU 57 Cb 0.37 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 27.44 2duo h GLU 57 CO -0.11 0.00 0.02 0.72 0.05 0.00 0.00 179.01 179.69 2duo n HIS 58 N -2.92 1.19 -4.36 2.06 8.25 -0.39 -4.86 115.22 114.18 2duo n HIS 58 Ca -0.00 -1.04 -0.21 0.00 -0.26 0.00 0.00 57.72 56.21 2duo n HIS 58 Cb 0.22 -0.40 -0.11 0.00 1.12 0.00 0.00 29.99 30.83 2duo n HIS 58 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2duo s SER 59 N -1.90 2.79 -0.24 0.41 0.01 -0.71 -4.18 113.70 109.87 2duo s SER 59 Ca 0.45 -0.94 0.02 0.00 1.31 0.00 0.00 55.95 56.78 2duo s SER 59 Cb 0.37 -0.17 0.06 0.00 0.21 0.00 0.00 66.02 66.48 2duo s SER 59 CO 0.08 -0.07 -0.09 -0.22 0.41 0.00 0.00 173.24 173.35 2duo s LEU 60 N -3.02 2.95 -0.03 2.44 2.96 0.11 -4.96 118.68 119.14 2duo s LEU 60 Ca 0.20 -1.23 -0.01 0.00 -0.22 0.00 0.00 54.13 52.87 2duo s LEU 60 Cb -0.04 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.29 2duo s LEU 60 CO 0.08 -0.19 0.06 -0.63 -1.32 0.00 0.00 176.35 174.35 2duo s ILE 61 N 1.24 -0.04 0.25 6.68 1.01 -1.26 -1.29 121.20 127.79 2duo s ILE 61 Ca -0.06 0.13 -0.30 0.00 0.00 0.00 0.00 60.65 60.42 2duo s ILE 61 Cb -0.19 -0.11 -0.09 0.00 0.01 0.00 0.00 42.46 42.08 2duo s ILE 61 CO -0.06 0.05 1.18 -0.54 0.00 0.00 0.00 174.94 175.57 2duo s LYS 62 N 0.73 4.53 0.12 2.79 1.02 -1.26 -3.14 119.74 124.53 2duo s LYS 62 Ca -0.06 1.91 -0.30 0.00 0.02 0.00 0.00 55.97 57.54 2duo s LYS 62 Cb -0.08 -3.19 -0.06 0.00 -0.52 0.00 0.00 37.83 33.98 2duo s LYS 62 CO -0.03 0.02 1.01 -1.25 -0.92 0.00 0.00 175.35 174.17 2duo s PRO 63 N -1.01 4.66 0.21 -1.68 0.04 -1.26 -5.08 135.00 130.88 2duo s PRO 63 Ca 0.49 1.53 -0.31 0.00 0.04 0.00 0.00 61.00 62.75 2duo s PRO 63 Cb -0.34 -3.35 -0.11 0.00 0.04 0.00 0.00 34.50 30.74 2duo s PRO 63 CO 0.41 0.16 1.59 0.71 0.04 0.00 0.00 177.00 179.91 2duo s TYR 64 N -0.01 2.97 0.20 0.56 4.12 -1.19 -4.84 117.35 119.17 2duo s TYR 64 Ca 0.48 0.65 -0.32 0.00 0.02 0.00 0.00 57.07 57.90 2duo s TYR 64 Cb -0.25 -3.98 -0.12 0.00 -1.52 0.00 0.00 41.96 36.09 2duo s TYR 64 CO 0.31 -3.54 1.71 -1.14 0.02 0.00 0.00 175.55 172.92 2duo s GLN 65 N 0.65 4.13 0.00 -0.62 0.74 -1.26 -1.89 119.66 121.42 2duo s GLN 65 Ca 0.68 2.58 0.00 0.00 0.05 0.00 0.00 55.36 58.68 2duo s GLN 65 Cb -0.45 -3.11 0.00 0.00 1.10 0.00 0.00 33.01 30.55 2duo s GLN 65 CO 0.36 -0.74 0.00 0.41 -0.55 0.00 0.00 175.29 174.76 2duo n GLY 66 N 3.97 0.48 3.25 2.59 0.00 -1.26 -4.23 105.19 109.99 2duo n GLY 66 Ca 0.16 -0.35 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 2duo n GLY 66 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duo s VAL 67 N -2.00 4.38 0.00 1.61 1.01 -0.79 -3.98 120.40 120.63 2duo s VAL 67 Ca 0.00 -1.60 0.00 0.00 0.00 0.00 0.00 61.98 60.38 2duo s VAL 67 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2duo s VAL 67 CO 0.00 -0.69 0.00 0.61 0.00 0.00 0.00 175.10 175.02 2duo n GLY 68 N 4.97 0.59 3.53 4.51 0.00 -1.26 -4.85 105.19 112.68 2duo n GLY 68 Ca -0.09 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.03 2duo n GLY 68 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2duo s SER 69 N -2.79 -0.11 0.00 1.61 1.04 -1.26 -5.03 113.70 107.16 2duo s SER 69 Ca 0.00 -0.80 0.29 0.00 0.48 0.00 0.00 55.95 55.92 2duo s SER 69 Cb 0.00 0.56 1.48 0.00 0.10 0.00 0.00 66.02 68.16 2duo s SER 69 CO 0.00 -1.08 2.01 -1.54 0.98 0.00 0.00 173.24 173.62 2duo n SER 70 N -0.34 0.00 -4.66 7.02 3.41 -1.26 -4.72 113.62 113.07 2duo n SER 70 Ca -0.05 -0.14 -0.35 0.00 -0.26 0.00 0.00 58.87 58.07 2duo n SER 70 Cb 0.62 -0.28 0.11 0.00 -0.26 0.00 0.00 64.21 64.40 2duo n SER 70 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2duo n SER 71 N -1.28 0.86 -4.65 4.04 7.64 -1.26 -4.93 113.62 114.04 2duo n SER 71 Ca 0.14 0.64 -0.42 0.00 1.01 0.00 0.00 58.87 60.23 2duo n SER 71 Cb 0.23 -1.47 -0.03 0.00 -1.01 0.00 0.00 64.21 61.93 2duo n SER 71 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 2duo s MET 72 N -3.73 4.02 0.60 1.43 -2.45 -1.26 -4.30 119.30 113.62 2duo s MET 72 Ca 0.74 2.28 -0.18 0.00 -1.25 0.00 0.00 55.69 57.28 2duo s MET 72 Cb -0.32 -4.10 -0.03 0.00 1.25 0.00 0.00 34.83 31.63 2duo s MET 72 CO 0.50 -1.06 1.15 -2.14 1.05 0.00 0.00 175.02 174.52 2duo s PRO 73 N 4.50 3.00 0.00 4.11 0.02 -1.26 -4.37 135.00 141.00 2duo s PRO 73 Ca 0.82 1.63 0.19 0.00 0.02 0.00 0.00 61.00 63.65 2duo s PRO 73 Cb -0.36 -1.96 0.10 0.00 0.02 0.00 0.00 34.50 32.31 2duo s PRO 73 CO 0.35 -1.13 1.05 1.28 -0.33 0.00 0.00 177.00 178.22 2duo n LEU 74 N -1.79 2.34 -3.96 -5.54 4.77 -1.26 -4.91 117.00 106.65 2duo n LEU 74 Ca 0.12 -0.93 -0.11 0.00 -0.03 0.00 0.00 56.01 55.06 2duo n LEU 74 Cb 0.51 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.48 2duo n LEU 74 CO 0.45 0.41 -0.37 0.26 -1.33 0.00 0.00 177.39 176.81 2duo s TRP 75 N -1.75 0.28 -0.12 -1.77 0.52 -1.26 -0.82 118.94 114.02 2duo s TRP 75 Ca 0.20 -0.34 -0.06 0.00 0.02 0.00 0.00 56.10 55.93 2duo s TRP 75 Cb 0.16 -0.18 -0.04 0.00 -1.15 0.00 0.00 33.47 32.25 2duo s TRP 75 CO 0.31 -0.10 0.09 -0.51 0.02 0.00 0.00 176.95 176.76 2duo s ASP 76 N -0.95 5.99 -0.16 2.95 1.01 0.70 -4.83 116.67 121.38 2duo s ASP 76 Ca -0.09 0.34 -0.02 0.00 0.71 0.00 0.00 52.55 53.49 2duo s ASP 76 Cb -0.06 -1.88 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 2duo s ASP 76 CO -0.00 0.38 -0.07 -0.36 0.21 0.00 0.00 175.17 175.32 2duo s PHE 77 N -0.86 2.92 0.10 4.23 0.40 -1.26 -1.24 117.98 122.26 2duo s PHE 77 Ca 0.14 -0.62 0.06 0.00 -0.60 0.00 0.00 56.93 55.90 2duo s PHE 77 Cb -0.12 -1.96 -0.03 0.00 0.51 0.00 0.00 43.02 41.42 2duo s PHE 77 CO 0.03 -0.25 -0.14 -1.14 0.70 0.00 0.00 175.22 174.42 2duo s GLN 78 N 0.68 0.93 5.17 0.44 -0.44 0.00 -5.01 119.66 121.44 2duo s GLN 78 Ca -0.04 -1.11 0.00 0.00 -2.50 0.00 0.00 55.36 51.71 2duo s GLN 78 Cb -0.15 -0.87 0.00 0.00 -1.64 0.00 0.00 33.01 30.35 2duo s GLN 78 CO 0.02 0.18 0.00 0.41 0.50 0.00 0.00 175.29 176.40 2duo n GLY 79 N 0.87 2.01 0.00 2.59 0.00 -1.26 -1.63 105.19 107.77 2duo n GLY 79 Ca -0.18 -0.56 0.08 0.00 0.00 0.00 0.00 46.02 45.36 2duo n GLY 79 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2duo n SER 80 N 1.25 0.00 -4.68 1.61 3.41 -0.20 -4.83 113.62 110.17 2duo n SER 80 Ca 0.00 0.07 -0.45 0.00 -0.26 0.00 0.00 58.87 58.24 2duo n SER 80 Cb 0.00 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.63 2duo n SER 80 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2duo n THR 81 N -1.29 0.80 -4.25 6.66 -1.04 -1.07 -4.66 114.28 109.43 2duo n THR 81 Ca 0.08 -0.20 -0.22 0.00 -2.04 0.00 0.00 64.05 61.67 2duo n THR 81 Cb 0.13 -1.55 -0.12 0.00 -1.82 0.00 0.00 70.33 66.97 2duo n THR 81 CO 0.00 0.00 0.00 0.27 -0.64 0.00 0.00 175.07 174.70 2duo s ILE 82 N 0.11 1.49 -0.21 12.58 -4.36 0.34 -4.84 121.20 126.31 2duo s ILE 82 Ca 0.69 -1.50 -0.04 0.00 -0.26 0.00 0.00 60.65 59.55 2duo s ILE 82 Cb -0.63 -1.41 -0.01 0.00 1.25 0.00 0.00 42.46 41.65 2duo s ILE 82 CO 0.47 -0.15 -0.04 -0.22 0.24 0.00 0.00 174.94 175.24 2duo s LEU 83 N -1.93 2.93 0.34 0.37 2.96 -1.26 -0.34 118.68 121.74 2duo s LEU 83 Ca 0.04 -0.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.65 2duo s LEU 83 Cb -0.09 -1.74 -0.07 0.00 0.50 0.00 0.00 46.19 44.79 2duo s LEU 83 CO 0.04 0.00 0.00 0.42 -1.32 0.00 0.00 176.35 175.49 2duo s THR 84 N 1.35 1.65 0.44 3.68 -4.23 -0.69 -5.02 115.64 112.81 2duo s THR 84 Ca 0.04 -2.05 0.18 0.00 -1.18 0.00 0.00 61.69 58.69 2duo s THR 84 Cb -0.14 -2.77 0.21 0.00 1.34 0.00 0.00 72.50 71.13 2duo s THR 84 CO -0.02 -0.08 2.01 0.77 -0.54 0.00 0.00 174.62 176.75 2duo h SER 85 N 2.03 0.00 -0.01 3.99 4.64 -2.01 -3.24 113.55 118.95 2duo h SER 85 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 2duo h SER 85 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2duo h SER 85 CO 0.73 0.17 -0.26 0.00 -0.87 0.00 0.00 176.83 176.61 2duo n GLN 86 N -4.10 1.89 -3.50 4.77 1.13 -1.26 -4.85 117.38 111.46 2duo n GLN 86 Ca -0.02 -0.70 -0.09 0.00 -1.94 0.00 0.00 57.00 54.25 2duo n GLN 86 Cb 0.25 -1.16 -0.02 0.00 0.11 0.00 0.00 30.24 29.42 2duo n GLN 86 CO 0.00 0.00 0.00 1.52 -1.44 0.00 0.00 177.06 177.14 2duo s TYR 87 N -1.57 -0.37 -0.32 1.08 -0.85 -1.22 -4.84 117.35 109.26 2duo s TYR 87 Ca 0.10 0.25 -0.11 0.00 -0.52 0.00 0.00 57.07 56.80 2duo s TYR 87 Cb 0.10 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.96 2duo s TYR 87 CO 0.31 -0.57 0.18 0.08 -1.52 0.00 0.00 175.55 174.03 2duo s VAL 88 N -3.11 4.89 -0.48 -3.49 1.01 0.27 -1.71 120.40 117.77 2duo s VAL 88 Ca 0.04 -0.30 -0.16 0.00 0.00 0.00 0.00 61.98 61.56 2duo s VAL 88 Cb -0.01 -3.48 0.07 0.00 0.00 0.00 0.00 36.38 32.96 2duo s VAL 88 CO -0.09 0.06 0.44 -0.60 0.00 0.00 0.00 175.10 174.91 2duo s ARG 89 N 1.66 3.00 0.15 2.72 3.52 0.54 -0.44 118.95 130.09 2duo s ARG 89 Ca 0.05 -1.29 -0.14 0.00 -0.13 0.00 0.00 55.73 54.23 2duo s ARG 89 Cb -0.17 -4.13 0.02 0.00 -1.56 0.00 0.00 34.95 29.10 2duo s ARG 89 CO 0.08 -1.08 1.65 -0.07 -0.81 0.00 0.00 175.30 175.07 2duo h LEU 90 N 8.93 0.72 -7.98 -0.88 3.38 -0.84 0.97 115.31 119.62 2duo h LEU 90 Ca -0.28 -0.23 -0.30 0.00 0.09 0.00 0.00 57.88 57.16 2duo h LEU 90 Cb 1.11 -0.19 -0.26 0.00 0.09 0.00 0.00 40.66 41.41 2duo h LEU 90 CO 0.90 0.77 -0.74 0.42 0.09 0.00 0.00 178.44 179.87 2duo s THR 91 N -5.31 0.41 0.93 0.22 -4.23 -1.23 -2.60 115.64 103.84 2duo s THR 91 Ca -0.13 -0.51 -0.14 0.00 -1.18 0.00 0.00 61.69 59.74 2duo s THR 91 Cb 0.11 -0.41 0.15 0.00 1.34 0.00 0.00 72.50 73.70 2duo s THR 91 CO 0.79 -0.08 1.17 -2.16 -0.54 0.00 0.00 174.62 173.80 2duo s PRO 92 N -0.64 0.96 -0.88 3.99 0.04 -1.26 -2.36 135.00 134.84 2duo s PRO 92 Ca -0.03 0.11 -0.06 0.00 0.04 0.00 0.00 61.00 61.06 2duo s PRO 92 Cb -0.05 -1.83 -0.09 0.00 0.04 0.00 0.00 34.50 32.57 2duo s PRO 92 CO -0.00 -2.29 2.43 -3.47 0.04 0.00 0.00 177.00 173.72 2duo n ASP 93 N -3.79 5.55 -4.16 6.66 2.03 -1.24 -4.40 116.55 117.20 2duo n ASP 93 Ca 0.09 -2.35 -0.14 0.00 0.52 0.00 0.00 54.79 52.91 2duo n ASP 93 Cb 0.60 -1.18 -0.11 0.00 -0.72 0.00 0.00 41.12 39.71 2duo n ASP 93 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 2duo s GLU 94 N 2.72 0.79 0.48 -0.67 2.02 -1.26 -4.79 118.70 117.99 2duo s GLU 94 Ca 0.48 -1.10 -0.19 0.00 0.02 0.00 0.00 54.97 54.19 2duo s GLU 94 Cb 0.15 -0.48 -0.09 0.00 0.10 0.00 0.00 34.13 33.81 2duo s GLU 94 CO -0.03 0.07 0.97 1.03 0.02 0.00 0.00 175.26 177.32 2duo s ARG 95 N -2.64 4.05 -1.19 1.61 0.52 -1.26 -4.39 118.95 115.65 2duo s ARG 95 Ca 0.03 1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 56.28 2duo s ARG 95 Cb -0.04 -2.15 -0.01 0.00 0.52 0.00 0.00 34.95 33.27 2duo s ARG 95 CO -0.00 -0.19 0.97 0.43 0.02 0.00 0.00 175.30 176.53 2duo n SER 96 N -1.16 -2.58 -4.35 0.23 7.64 -0.46 -4.91 113.62 108.03 2duo n SER 96 Ca 0.07 -0.65 -0.31 0.00 1.01 0.00 0.00 58.87 58.99 2duo n SER 96 Cb 0.54 -5.05 -0.15 0.00 -1.01 0.00 0.00 64.21 58.54 2duo n SER 96 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2duo s LYS 97 N -5.29 1.94 -0.08 1.43 -0.14 -1.11 -4.95 119.74 111.55 2duo s LYS 97 Ca 0.06 -1.03 -0.02 0.00 -1.36 0.00 0.00 55.97 53.62 2duo s LYS 97 Cb -0.01 -2.03 0.03 0.00 -1.68 0.00 0.00 37.83 34.15 2duo s LYS 97 CO 0.74 0.53 0.03 -1.21 -0.76 0.00 0.00 175.35 174.68 2duo s GLU 98 N -1.05 0.37 0.03 1.68 2.02 -1.26 -0.78 118.70 119.71 2duo s GLU 98 Ca 0.11 0.14 -0.00 0.00 0.02 0.00 0.00 54.97 55.24 2duo s GLU 98 Cb -0.10 -0.97 -0.02 0.00 0.10 0.00 0.00 34.13 33.14 2duo s GLU 98 CO 0.01 -0.36 -0.03 0.20 0.02 0.00 0.00 175.26 175.10 2duo s GLY 99 N 2.03 0.29 0.20 -1.39 0.00 -0.90 -1.03 107.32 106.51 2duo s GLY 99 Ca 0.04 -0.72 -0.06 0.00 0.00 0.00 0.00 44.72 43.99 2duo s GLY 99 CO -0.05 -0.80 0.24 -1.35 0.00 0.00 0.00 173.10 171.14 2duo s SER 100 N -1.76 0.09 -0.03 1.64 1.04 -0.64 -1.09 113.70 112.95 2duo s SER 100 Ca -0.11 -1.15 0.01 0.00 0.48 0.00 0.00 55.95 55.18 2duo s SER 100 Cb -0.06 0.43 0.02 0.00 0.10 0.00 0.00 66.02 66.51 2duo s SER 100 CO -0.03 -0.91 -0.03 -0.51 0.98 0.00 0.00 173.24 172.74 2duo s ILE 101 N -4.07 0.35 -0.06 -1.02 2.07 -0.08 -0.82 121.20 117.56 2duo s ILE 101 Ca 0.29 -0.05 0.02 0.00 -1.41 0.00 0.00 60.65 59.50 2duo s ILE 101 Cb 0.04 -0.38 0.01 0.00 0.13 0.00 0.00 42.46 42.26 2duo s ILE 101 CO 0.08 0.16 -0.12 0.26 -1.91 0.00 0.00 174.94 173.40 2duo s TRP 102 N 0.72 1.43 0.26 3.50 0.52 -0.38 -0.78 118.94 124.21 2duo s TRP 102 Ca -0.08 -0.50 -0.31 0.00 0.02 0.00 0.00 56.10 55.23 2duo s TRP 102 Cb -0.11 -1.04 -0.12 0.00 -1.15 0.00 0.00 33.47 31.05 2duo s TRP 102 CO -0.01 -0.25 1.65 1.21 0.02 0.00 0.00 176.95 179.57 2duo s ASN 103 N 0.56 6.37 0.34 2.95 3.04 0.01 -0.21 114.94 127.99 2duo s ASN 103 Ca -0.12 2.92 0.26 0.00 0.04 0.00 0.00 52.86 55.96 2duo s ASN 103 Cb -0.15 -2.62 1.12 0.00 -1.54 0.00 0.00 41.25 38.06 2duo s ASN 103 CO 0.03 -0.94 1.79 1.12 -3.04 0.00 0.00 177.10 176.06 2duo h HIS 104 N 5.61 0.00 -3.76 0.43 2.07 -1.30 -3.44 115.15 114.77 2duo h HIS 104 Ca -0.45 0.00 -0.32 0.00 -2.85 0.00 0.00 60.37 56.75 2duo h HIS 104 Cb 1.21 0.00 -0.18 0.00 2.57 0.00 0.00 27.41 31.01 2duo h HIS 104 CO 0.61 0.00 -0.73 -0.65 -3.07 0.00 0.00 177.93 174.08 2duo s GLN 105 N -3.44 0.83 0.71 5.12 -1.52 -1.26 -5.03 119.66 115.07 2duo s GLN 105 Ca 0.03 -1.13 -0.13 0.00 -1.95 0.00 0.00 55.36 52.18 2duo s GLN 105 Cb 0.09 -0.53 0.03 0.00 -0.22 0.00 0.00 33.01 32.38 2duo s GLN 105 CO 0.42 0.08 1.10 -2.14 -0.25 0.00 0.00 175.29 174.50 2duo s PRO 106 N -2.68 2.53 -0.19 2.91 0.02 -1.26 -4.74 135.00 131.58 2duo s PRO 106 Ca 0.04 1.29 -0.06 0.00 0.02 0.00 0.00 61.00 62.29 2duo s PRO 106 Cb -0.03 -1.92 -0.03 0.00 0.02 0.00 0.00 34.50 32.53 2duo s PRO 106 CO 0.00 -1.45 0.03 0.00 -0.33 0.00 0.00 177.00 175.25 2duo n PHE 108 N 3.96 1.09 -2.32 0.00 3.01 -1.26 -0.60 117.46 121.35 2duo n PHE 108 Ca -0.17 -0.70 -0.41 0.00 1.01 0.00 0.00 57.45 57.19 2duo n PHE 108 Cb 0.52 -0.24 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 2duo n PHE 108 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 2duo s LEU 109 N -2.09 4.47 0.11 4.37 1.43 -1.26 -4.82 118.68 120.89 2duo s LEU 109 Ca 0.41 2.39 0.11 0.00 -1.03 0.00 0.00 54.13 56.01 2duo s LEU 109 Cb 0.29 -3.62 -0.15 0.00 0.03 0.00 0.00 46.19 42.74 2duo s LEU 109 CO 0.16 -0.36 1.13 0.11 0.23 0.00 0.00 176.35 177.61 2duo h LYS 110 N 4.34 0.00 -3.77 1.70 1.57 -1.94 -3.45 116.57 115.01 2duo h LYS 110 Ca -0.46 0.00 -0.48 0.00 -1.87 0.00 0.00 60.65 57.83 2duo h LYS 110 Cb 1.22 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 33.14 2duo h LYS 110 CO 0.70 0.71 -0.77 -0.51 -0.57 0.00 0.00 179.45 179.01 2duo s ASP 111 N -6.42 2.17 0.17 0.86 1.01 -1.26 -4.60 116.67 108.60 2duo s ASP 111 Ca -0.00 -0.38 -0.10 0.00 0.71 0.00 0.00 52.55 52.78 2duo s ASP 111 Cb 0.09 -0.58 -0.01 0.00 1.01 0.00 0.00 42.92 43.43 2duo s ASP 111 CO 0.81 -0.22 0.31 -1.66 0.21 0.00 0.00 175.17 174.62 2duo s TRP 112 N 1.87 0.38 -0.10 4.23 1.48 -0.54 -1.47 118.94 124.78 2duo s TRP 112 Ca 0.03 -0.74 -0.04 0.00 -1.06 0.00 0.00 56.10 54.29 2duo s TRP 112 Cb -0.14 -0.02 0.05 0.00 -1.16 0.00 0.00 33.47 32.20 2duo s TRP 112 CO -0.07 -0.75 0.21 -2.00 -4.06 0.00 0.00 176.95 170.29 2duo s GLU 113 N -3.97 0.10 -0.20 3.25 2.12 -0.69 -1.00 118.70 118.31 2duo s GLU 113 Ca 0.17 0.63 -0.09 0.00 0.36 0.00 0.00 54.97 56.05 2duo s GLU 113 Cb 0.03 -0.15 -0.04 0.00 0.26 0.00 0.00 34.13 34.22 2duo s GLU 113 CO 0.01 -0.28 0.10 1.41 -0.54 0.00 0.00 175.26 175.95 2duo s MET 114 N 2.22 4.03 -0.21 4.30 -2.45 0.30 -0.63 119.30 126.85 2duo s MET 114 Ca 0.01 -0.31 -0.05 0.00 -1.25 0.00 0.00 55.69 54.09 2duo s MET 114 Cb -0.12 -3.33 -0.02 0.00 1.25 0.00 0.00 34.83 32.61 2duo s MET 114 CO -0.07 0.22 0.01 -1.01 1.05 0.00 0.00 175.02 175.21 2duo s HIS 115 N 0.55 3.04 -0.19 4.11 3.76 -0.10 -1.04 115.29 125.42 2duo s HIS 115 Ca 0.05 -0.52 -0.02 0.00 -0.15 0.00 0.00 55.06 54.42 2duo s HIS 115 Cb -0.12 -2.11 -0.01 0.00 1.11 0.00 0.00 32.58 31.45 2duo s HIS 115 CO 0.01 -0.30 -0.09 0.08 -0.85 0.00 0.00 174.74 173.59 2duo s VAL 116 N 1.17 3.15 -0.34 -0.90 1.01 0.11 -0.69 120.40 123.91 2duo s VAL 116 Ca 0.03 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.29 2duo s VAL 116 Cb -0.14 -2.39 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2duo s VAL 116 CO 0.01 0.47 0.26 -2.28 0.00 0.00 0.00 175.10 173.56 2duo s HIS 117 N 1.07 3.23 0.26 5.22 2.46 0.22 -1.14 115.29 126.62 2duo s HIS 117 Ca 0.00 -0.20 0.04 0.00 0.47 0.00 0.00 55.06 55.38 2duo s HIS 117 Cb -0.15 -2.51 -0.06 0.00 -0.13 0.00 0.00 32.58 29.74 2duo s HIS 117 CO -0.01 -0.38 -0.00 -0.59 -2.47 0.00 0.00 174.74 171.28 2duo s PHE 118 N 1.76 1.73 -0.12 3.88 -0.71 -1.11 -0.01 117.98 123.40 2duo s PHE 118 Ca 0.07 -0.88 -0.05 0.00 -1.04 0.00 0.00 56.93 55.03 2duo s PHE 118 Cb -0.17 -1.02 0.06 0.00 -1.21 0.00 0.00 43.02 40.67 2duo s PHE 118 CO 0.11 0.04 0.25 0.21 -1.34 0.00 0.00 175.22 174.49 2duo s LYS 119 N -3.84 0.16 -0.15 1.99 2.20 -0.10 -4.20 119.74 115.79 2duo s LYS 119 Ca 0.30 0.66 -0.01 0.00 -0.36 0.00 0.00 55.97 56.57 2duo s LYS 119 Cb 0.06 -0.08 -0.01 0.00 -1.51 0.00 0.00 37.83 36.29 2duo s LYS 119 CO 0.11 -0.25 -0.12 0.08 -0.36 0.00 0.00 175.35 174.81 2duo s VAL 120 N 2.02 2.97 -0.23 4.02 1.01 -1.26 -0.83 120.40 128.11 2duo s VAL 120 Ca -0.02 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.02 2duo s VAL 120 Cb -0.11 -2.27 0.08 0.00 0.00 0.00 0.00 36.38 34.08 2duo s VAL 120 CO -0.08 0.51 0.80 -1.38 0.00 0.00 0.00 175.10 174.94 2duo s HIS 121 N 0.69 -0.67 0.18 5.22 -0.00 -0.84 -1.54 115.29 118.32 2duo s HIS 121 Ca -0.06 1.55 -0.23 0.00 -0.00 0.00 0.00 55.06 56.32 2duo s HIS 121 Cb -0.15 0.33 0.07 0.00 -0.00 0.00 0.00 32.58 32.82 2duo s HIS 121 CO 0.02 -0.39 1.01 0.20 -0.00 0.00 0.00 174.74 175.59 2duo s GLY 122 N -0.02 0.01 0.00 -1.38 0.00 -1.26 -0.96 107.32 103.71 2duo s GLY 122 Ca -0.01 -0.20 0.15 0.00 0.00 0.00 0.00 44.72 44.66 2duo s GLY 122 CO 0.01 1.58 1.12 -1.30 0.00 0.00 0.00 173.10 174.51 2duo n THR 123 N -0.62 0.38 -1.63 0.90 -2.24 -1.26 -5.01 114.28 104.79 2duo n THR 123 Ca -0.04 -0.69 -0.47 0.00 -2.27 0.00 0.00 64.05 60.58 2duo n THR 123 Cb 0.60 1.01 -0.04 0.00 -2.10 0.00 0.00 70.33 69.80 2duo n THR 123 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2duo n GLY 124 N 0.87 0.62 3.75 3.38 0.00 -1.26 -4.95 105.19 107.61 2duo n GLY 124 Ca 0.12 0.58 -0.33 0.00 0.00 0.00 0.00 46.02 46.39 2duo n GLY 124 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2duo s LYS 125 N 0.06 2.36 4.58 1.61 -0.14 -1.26 -4.64 119.74 122.31 2duo s LYS 125 Ca 0.75 1.41 0.00 0.00 -1.36 0.00 0.00 55.97 56.77 2duo s LYS 125 Cb -0.76 -1.89 0.00 0.00 -1.68 0.00 0.00 37.83 33.50 2duo s LYS 125 CO 0.47 -1.60 0.00 1.63 -0.76 0.00 0.00 175.35 175.09 2duo n LYS 126 N -2.94 0.00 -0.19 1.68 5.02 -1.26 -0.66 118.16 119.81 2duo n LYS 126 Ca 0.11 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.50 2duo n LYS 126 Cb 0.52 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.73 2duo n LYS 126 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2duo n ASN 127 N 5.90 3.30 -4.45 4.39 4.05 -1.26 -4.90 115.26 122.29 2duo n ASN 127 Ca 0.00 -1.94 -0.44 0.00 0.45 0.00 0.00 54.58 52.65 2duo n ASN 127 Cb 0.00 -0.25 0.00 0.00 1.23 0.00 0.00 39.78 40.76 2duo n ASN 127 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 177.26 174.39 2duo n LEU 128 N 1.30 5.26 -3.75 1.20 4.77 0.16 -4.88 117.00 121.06 2duo n LEU 128 Ca 0.18 -4.41 -0.10 0.00 -0.03 0.00 0.00 56.01 51.65 2duo n LEU 128 Cb 0.55 -1.63 -0.05 0.00 -2.33 0.00 0.00 43.42 39.97 2duo n LEU 128 CO 0.14 0.69 0.19 -1.38 -1.33 0.00 0.00 177.39 175.70 2duo s HIS 129 N 1.82 -0.05 0.00 -1.77 -3.43 -1.26 -4.33 115.29 106.27 2duo s HIS 129 Ca 0.44 -0.29 0.00 0.00 -0.80 0.00 0.00 55.06 54.41 2duo s HIS 129 Cb -0.01 0.27 0.00 0.00 -1.43 0.00 0.00 32.58 31.41 2duo s HIS 129 CO 0.01 -0.82 0.00 0.41 -2.00 0.00 0.00 174.74 172.34 2duo n GLY 130 N -0.28 0.13 0.10 -1.38 0.00 -1.04 -4.61 105.19 98.12 2duo n GLY 130 Ca -0.11 -1.12 -0.11 0.00 0.00 0.00 0.00 46.02 44.68 2duo n GLY 130 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2duo n ASP 131 N 0.00 0.36 0.00 1.61 10.43 0.63 -2.55 116.55 127.04 2duo n ASP 131 Ca 0.00 -0.02 0.00 0.00 2.57 0.00 0.00 54.79 57.34 2duo n ASP 131 Cb 0.00 0.81 0.00 0.00 1.84 0.00 0.00 41.12 43.77 2duo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2duo n GLY 132 N 1.85 1.00 3.48 0.44 0.00 -1.23 -2.16 105.19 108.56 2duo n GLY 132 Ca -0.34 -1.95 -0.30 0.00 0.00 0.00 0.00 46.02 43.43 2duo n GLY 132 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2duo s ILE 133 N -1.36 2.86 -0.05 -0.61 1.01 -0.39 -2.99 121.20 119.68 2duo s ILE 133 Ca 0.00 -1.36 0.06 0.00 0.00 0.00 0.00 60.65 59.35 2duo s ILE 133 Cb 0.00 -2.27 -0.01 0.00 0.01 0.00 0.00 42.46 40.19 2duo s ILE 133 CO 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 174.94 174.90 2duo s ALA 134 N -1.06 2.01 -0.06 9.38 0.00 0.07 0.28 121.76 132.37 2duo s ALA 134 Ca 0.17 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 51.12 2duo s ALA 134 Cb -0.11 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.37 2duo s ALA 134 CO 0.08 0.40 0.10 -0.51 0.00 0.00 0.00 175.76 175.83 2duo s LEU 135 N -0.20 4.05 0.01 0.00 1.43 0.23 -0.51 118.68 123.69 2duo s LEU 135 Ca -0.01 0.28 0.04 0.00 -1.03 0.00 0.00 54.13 53.41 2duo s LEU 135 Cb -0.12 -2.14 -0.02 0.00 0.03 0.00 0.00 46.19 43.94 2duo s LEU 135 CO 0.03 0.34 -0.14 0.26 0.23 0.00 0.00 176.35 177.07 2duo s TRP 136 N -1.08 1.20 -0.41 0.29 0.52 -0.04 -0.52 118.94 118.90 2duo s TRP 136 Ca 0.19 -0.28 0.01 0.00 0.02 0.00 0.00 56.10 56.04 2duo s TRP 136 Cb -0.12 -0.74 0.13 0.00 -1.15 0.00 0.00 33.47 31.59 2duo s TRP 136 CO 0.09 0.01 0.22 -0.47 0.02 0.00 0.00 176.95 176.81 2duo s TYR 137 N -0.57 1.75 0.18 -1.98 5.04 -0.58 -1.92 117.35 119.27 2duo s TYR 137 Ca 0.03 -2.21 0.04 0.00 -2.44 0.00 0.00 57.07 52.49 2duo s TYR 137 Cb -0.06 -1.71 -0.05 0.00 0.35 0.00 0.00 41.96 40.48 2duo s TYR 137 CO 0.00 -0.80 -0.05 0.95 -1.34 0.00 0.00 175.55 174.31 2duo s THR 138 N 0.63 1.05 0.07 4.34 -4.23 -0.49 -1.62 115.64 115.39 2duo s THR 138 Ca 0.17 -2.04 -0.23 0.00 -1.18 0.00 0.00 61.69 58.41 2duo s THR 138 Cb -0.23 -2.07 -0.15 0.00 1.34 0.00 0.00 72.50 71.38 2duo s THR 138 CO -0.02 -0.55 1.66 -0.09 -0.54 0.00 0.00 174.62 175.08 2duo h ARG 139 N 2.65 0.02 -6.37 3.99 2.43 -1.39 0.19 114.38 115.90 2duo h ARG 139 Ca -0.37 -0.00 -0.43 0.00 -0.81 0.00 0.00 59.98 58.36 2duo h ARG 139 Cb 1.20 -0.00 0.01 0.00 -0.42 0.00 0.00 29.97 30.76 2duo h ARG 139 CO 0.64 0.10 -0.30 -0.51 -1.51 0.00 0.00 179.97 178.38 2duo s ASP 140 N -5.29 5.72 0.20 -3.80 1.01 -1.26 -4.62 116.67 108.63 2duo s ASP 140 Ca -0.13 -0.36 -0.11 0.00 0.71 0.00 0.00 52.55 52.66 2duo s ASP 140 Cb 0.05 -0.87 -0.01 0.00 1.01 0.00 0.00 42.92 43.11 2duo s ASP 140 CO 0.67 -0.62 0.37 0.00 0.21 0.00 0.00 175.17 175.79 2duo s ARG 141 N -4.26 1.33 0.00 8.23 1.70 -1.26 -4.81 118.95 119.88 2duo s ARG 141 Ca 0.51 -1.20 0.00 0.00 -0.47 0.00 0.00 55.73 54.57 2duo s ARG 141 Cb -0.09 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.71 2duo s ARG 141 CO 0.32 -0.52 0.00 1.28 -1.08 0.00 0.00 175.30 175.30 2duo n LEU 142 N -0.30 0.61 -4.58 -1.89 4.77 -1.26 -4.97 117.00 109.38 2duo n LEU 142 Ca -0.05 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.55 2duo n LEU 142 Cb 0.63 -1.25 -0.11 0.00 -2.33 0.00 0.00 43.42 40.35 2duo n LEU 142 CO 0.23 -0.43 -0.18 -0.69 -1.33 0.00 0.00 177.39 174.99 2duo s VAL 143 N -1.84 5.25 0.71 4.08 1.01 -1.26 -4.98 120.40 123.37 2duo s VAL 143 Ca 0.00 0.15 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2duo s VAL 143 Cb 0.00 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2duo s VAL 143 CO 0.00 0.26 1.08 -2.16 0.00 0.00 0.00 175.10 174.28 2duo s PRO 144 N 1.74 2.81 0.00 2.72 0.04 -1.26 -1.52 135.00 139.52 2duo s PRO 144 Ca 0.07 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.73 2duo s PRO 144 Cb -0.16 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2duo s PRO 144 CO 0.10 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.45 2duo n GLY 145 N -2.60 -0.95 0.05 0.56 0.00 -0.84 -3.85 105.19 97.55 2duo n GLY 145 Ca 0.07 -0.72 0.14 0.00 0.00 0.00 0.00 46.02 45.51 2duo n GLY 145 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2duo n PRO 146 N 0.00 0.34 -3.09 1.61 -0.04 -1.12 -2.87 135.00 129.82 2duo n PRO 146 Ca 0.00 -0.09 -0.45 0.00 -0.04 0.00 0.00 63.50 62.92 2duo n PRO 146 Cb 0.00 -1.50 -0.02 0.00 -0.04 0.00 0.00 33.50 31.95 2duo n PRO 146 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2duo s VAL 147 N -2.73 5.18 -1.46 0.52 1.01 -0.38 -4.39 120.40 118.15 2duo s VAL 147 Ca 0.21 -2.25 -0.00 0.00 0.00 0.00 0.00 61.98 59.95 2duo s VAL 147 Cb 0.19 -4.70 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2duo s VAL 147 CO 0.53 -1.36 0.26 0.49 0.00 0.00 0.00 175.10 175.02 2duo n PHE 148 N 5.21 -1.50 -0.26 5.22 3.72 -1.26 -1.41 117.46 127.18 2duo n PHE 148 Ca 0.24 0.70 0.00 0.00 -0.05 0.00 0.00 57.45 58.33 2duo n PHE 148 Cb 0.46 -3.38 0.00 0.00 -0.94 0.00 0.00 39.48 35.62 2duo n PHE 148 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2duo n GLY 149 N -2.20 1.62 3.63 1.37 0.00 -1.19 -1.75 105.19 106.68 2duo n GLY 149 Ca -0.31 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.42 2duo n GLY 149 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2duo s SER 150 N -3.24 3.91 0.48 1.61 0.15 -0.50 -1.99 113.70 114.11 2duo s SER 150 Ca 0.00 -1.38 -0.23 0.00 0.70 0.00 0.00 55.95 55.04 2duo s SER 150 Cb 0.00 -0.34 -0.07 0.00 -1.71 0.00 0.00 66.02 63.90 2duo s SER 150 CO 0.00 -0.48 1.25 -1.59 1.20 0.00 0.00 173.24 173.62 2duo s LYS 151 N -3.73 3.58 0.91 5.44 -2.85 -0.58 -1.24 119.74 121.28 2duo s LYS 151 Ca 0.33 1.98 -0.14 0.00 -1.00 0.00 0.00 55.97 57.14 2duo s LYS 151 Cb 0.09 -2.41 0.15 0.00 -2.06 0.00 0.00 37.83 33.60 2duo s LYS 151 CO 0.17 -0.75 1.22 0.34 0.10 0.00 0.00 175.35 176.42 2duo s ASP 152 N -1.14 3.56 -1.42 0.03 -1.08 -1.26 -4.45 116.67 110.92 2duo s ASP 152 Ca 0.65 0.63 -0.10 0.00 -0.52 0.00 0.00 52.55 53.21 2duo s ASP 152 Cb -0.34 -0.96 0.04 0.00 -1.46 0.00 0.00 42.92 40.20 2duo s ASP 152 CO 0.41 -2.49 1.06 0.59 0.52 0.00 0.00 175.17 175.26 2duo n ASN 153 N -3.67 -5.06 -4.76 -0.34 4.13 -1.19 -4.96 115.26 99.40 2duo n ASN 153 Ca 0.11 -0.66 -0.28 0.00 1.68 0.00 0.00 54.58 55.42 2duo n ASN 153 Cb 0.60 -4.50 0.10 0.00 -1.54 0.00 0.00 39.78 34.44 2duo n ASN 153 CO 0.00 0.00 0.00 0.72 0.28 0.00 0.00 177.26 178.26 2duo s PHE 154 N -3.34 2.66 -0.20 3.10 -0.12 -1.26 -4.44 117.98 114.38 2duo s PHE 154 Ca 0.53 0.59 0.01 0.00 -0.05 0.00 0.00 56.93 58.01 2duo s PHE 154 Cb -0.25 -3.54 0.04 0.00 -0.63 0.00 0.00 43.02 38.63 2duo s PHE 154 CO 0.78 -1.87 -0.12 -1.01 -0.05 0.00 0.00 175.22 172.95 2duo s HIS 155 N -3.56 2.53 -1.45 3.49 3.76 -1.26 -1.63 115.29 117.18 2duo s HIS 155 Ca 0.64 -1.65 0.00 0.00 -0.15 0.00 0.00 55.06 53.90 2duo s HIS 155 Cb -0.09 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.89 2duo s HIS 155 CO 0.49 -0.76 0.00 0.41 -0.85 0.00 0.00 174.74 174.03 2duo n GLY 156 N 4.66 0.39 3.48 -2.22 0.00 0.29 -0.98 105.19 110.81 2duo n GLY 156 Ca -0.16 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.79 2duo n GLY 156 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2duo s LEU 157 N 0.00 2.89 0.01 0.99 2.96 -0.64 -0.79 118.68 124.09 2duo s LEU 157 Ca 0.00 -0.17 0.07 0.00 -0.22 0.00 0.00 54.13 53.81 2duo s LEU 157 Cb 0.00 -1.62 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2duo s LEU 157 CO 0.00 0.29 -0.22 0.00 -1.32 0.00 0.00 176.35 175.11 2duo s ALA 158 N -0.42 1.84 -0.21 5.97 0.00 -0.06 -1.53 121.76 127.35 2duo s ALA 158 Ca 0.05 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 51.02 2duo s ALA 158 Cb -0.12 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.61 2duo s ALA 158 CO 0.02 0.44 -0.16 0.42 0.00 0.00 0.00 175.76 176.48 2duo s ILE 159 N -0.62 2.15 -0.19 0.00 1.09 0.32 -1.55 121.20 122.39 2duo s ILE 159 Ca 0.08 -1.19 -0.08 0.00 -1.10 0.00 0.00 60.65 58.36 2duo s ILE 159 Cb -0.09 -2.04 -0.04 0.00 -1.06 0.00 0.00 42.46 39.23 2duo s ILE 159 CO 0.00 0.32 0.08 -0.36 -0.10 0.00 0.00 174.94 174.88 2duo s PHE 160 N 1.22 3.30 -0.66 3.97 0.08 0.47 -0.60 117.98 125.77 2duo s PHE 160 Ca -0.00 0.15 -0.07 0.00 0.12 0.00 0.00 56.93 57.13 2duo s PHE 160 Cb -0.16 -2.10 0.17 0.00 -0.57 0.00 0.00 43.02 40.36 2duo s PHE 160 CO -0.10 0.19 0.52 -0.51 -0.10 0.00 0.00 175.22 175.23 2duo s LEU 161 N 0.37 5.74 -0.31 -0.37 1.02 0.14 -1.63 118.68 123.65 2duo s LEU 161 Ca 0.05 -2.68 -0.11 0.00 0.02 0.00 0.00 54.13 51.41 2duo s LEU 161 Cb -0.12 -1.98 -0.02 0.00 0.02 0.00 0.00 46.19 44.09 2duo s LEU 161 CO -0.01 -0.47 0.18 -0.62 0.02 0.00 0.00 176.35 175.46 2duo s ASP 162 N 1.38 5.78 0.05 2.29 3.68 -0.70 -1.26 116.67 127.89 2duo s ASP 162 Ca 0.16 -0.36 0.24 0.00 2.13 0.00 0.00 52.55 54.71 2duo s ASP 162 Cb -0.18 -2.06 0.26 0.00 -1.45 0.00 0.00 42.92 39.49 2duo s ASP 162 CO -0.05 -0.17 1.23 0.35 0.13 0.00 0.00 175.17 176.66 2duo n THR 163 N 5.03 0.17 -4.16 1.71 -2.24 -0.92 -0.69 114.28 113.18 2duo n THR 163 Ca -0.14 -0.17 -0.22 0.00 -2.27 0.00 0.00 64.05 61.26 2duo n THR 163 Cb 0.50 0.16 -0.17 0.00 -2.10 0.00 0.00 70.33 68.72 2duo n THR 163 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2duo s TYR 164 N -3.12 0.92 -0.76 4.78 5.04 -1.26 -4.32 117.35 118.62 2duo s TYR 164 Ca 0.07 -0.30 -0.26 0.00 -2.44 0.00 0.00 57.07 54.14 2duo s TYR 164 Cb 0.15 -0.80 0.01 0.00 0.35 0.00 0.00 41.96 41.67 2duo s TYR 164 CO 0.75 -0.25 1.55 -1.25 -1.34 0.00 0.00 175.55 175.01 2duo s PRO 165 N 1.08 3.02 0.33 4.97 0.04 -1.26 -4.78 135.00 138.40 2duo s PRO 165 Ca -0.08 -0.14 0.14 0.00 0.04 0.00 0.00 61.00 60.96 2duo s PRO 165 Cb -0.14 -4.52 0.58 0.00 0.04 0.00 0.00 34.50 30.46 2duo s PRO 165 CO -0.01 -2.46 1.72 -0.91 0.04 0.00 0.00 177.00 175.38 2duo h ASN 166 N 11.57 0.00 -3.63 6.66 4.21 -1.84 -3.43 115.58 129.13 2duo h ASN 166 Ca -0.16 0.00 -0.56 0.00 1.21 0.00 0.00 56.30 56.79 2duo h ASN 166 Cb 1.07 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.20 2duo h ASN 166 CO 1.28 0.47 0.90 -0.62 -1.29 0.00 0.00 177.43 178.17 2duo s ASP 167 N -6.75 6.70 0.60 5.81 2.15 -1.19 -4.79 116.67 119.19 2duo s ASP 167 Ca -0.01 0.59 0.37 0.00 0.43 0.00 0.00 52.55 53.92 2duo s ASP 167 Cb 0.13 -2.55 1.85 0.00 -0.30 0.00 0.00 42.92 42.06 2duo s ASP 167 CO 0.73 -1.17 2.18 -0.33 -0.17 0.00 0.00 175.17 176.41 2duo h GLU 168 N 8.98 0.00 -0.21 4.34 5.08 -1.84 -2.28 114.58 128.65 2duo h GLU 168 Ca -0.22 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.00 2duo h GLU 168 Cb 1.06 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 30.22 2duo h GLU 168 CO 1.11 0.03 -0.42 0.25 -1.00 0.00 0.00 179.01 178.97 2duo n THR 169 N -3.22 2.37 -1.29 1.13 -2.24 -1.26 -5.06 114.28 104.70 2duo n THR 169 Ca -0.02 -3.26 -0.35 0.00 -2.27 0.00 0.00 64.05 58.15 2duo n THR 169 Cb 0.19 -0.40 0.10 0.00 -2.10 0.00 0.00 70.33 68.11 2duo n THR 169 CO 0.00 0.00 0.00 1.07 -0.57 0.00 0.00 175.07 175.57 2duo n THR 170 N -1.06 2.66 -0.79 4.28 5.66 -0.86 -4.95 114.28 119.21 2duo n THR 170 Ca 0.27 -0.33 0.07 0.00 -3.05 0.00 0.00 64.05 61.01 2duo n THR 170 Cb 0.82 -1.14 0.10 0.00 -1.55 0.00 0.00 70.33 68.56 2duo n THR 170 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2duo n GLU 171 N -2.24 1.72 -4.34 1.09 1.02 -1.26 -5.03 120.64 111.59 2duo n GLU 171 Ca 0.13 -2.23 -0.25 0.00 -0.02 0.00 0.00 57.16 54.79 2duo n GLU 171 Cb 0.50 -1.33 -0.09 0.00 -0.02 0.00 0.00 31.44 30.49 2duo n GLU 171 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2duo s ARG 172 N -2.28 1.96 -0.17 3.49 0.52 -1.26 -5.14 118.95 116.08 2duo s ARG 172 Ca 0.22 -1.43 -0.07 0.00 -0.52 0.00 0.00 55.73 53.94 2duo s ARG 172 Cb 0.19 -2.05 -0.04 0.00 0.52 0.00 0.00 34.95 33.58 2duo s ARG 172 CO 0.02 0.40 0.07 0.08 0.02 0.00 0.00 175.30 175.89 2duo s VAL 173 N -1.97 4.87 0.19 3.52 1.01 -1.26 -5.07 120.40 121.69 2duo s VAL 173 Ca 0.26 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.29 2duo s VAL 173 Cb -0.07 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.09 2duo s VAL 173 CO 0.15 0.49 0.16 -0.36 0.00 0.00 0.00 175.10 175.54 2duo s PHE 174 N 0.13 3.14 0.73 5.22 0.40 -1.26 -4.29 117.98 122.04 2duo s PHE 174 Ca 0.05 -0.05 -0.15 0.00 -0.60 0.00 0.00 56.93 56.19 2duo s PHE 174 Cb -0.12 -1.47 0.04 0.00 0.51 0.00 0.00 43.02 41.97 2duo s PHE 174 CO 0.00 0.52 1.18 -2.14 0.70 0.00 0.00 175.22 175.49 2duo s PRO 175 N -3.36 2.20 -0.06 0.24 0.02 -1.25 -4.91 135.00 127.90 2duo s PRO 175 Ca 0.32 1.67 -0.00 0.00 0.02 0.00 0.00 61.00 63.00 2duo s PRO 175 Cb -0.09 -1.85 0.03 0.00 0.02 0.00 0.00 34.50 32.60 2duo s PRO 175 CO 0.24 -1.76 -0.02 -0.47 -0.33 0.00 0.00 177.00 174.66 2duo s TYR 176 N -2.11 0.66 -0.18 6.54 5.04 0.13 -0.95 117.35 126.48 2duo s TYR 176 Ca 0.72 -0.17 -0.09 0.00 -2.44 0.00 0.00 57.07 55.10 2duo s TYR 176 Cb -0.27 -0.71 -0.05 0.00 0.35 0.00 0.00 41.96 41.29 2duo s TYR 176 CO 0.45 -0.26 0.11 0.42 -1.34 0.00 0.00 175.55 174.93 2duo s ILE 177 N 1.48 5.20 0.18 3.14 1.01 -0.13 -1.72 121.20 130.34 2duo s ILE 177 Ca -0.03 0.11 -0.06 0.00 0.00 0.00 0.00 60.65 60.68 2duo s ILE 177 Cb -0.13 -3.35 -0.02 0.00 0.01 0.00 0.00 42.46 38.97 2duo s ILE 177 CO -0.03 0.47 0.22 -0.94 0.00 0.00 0.00 174.94 174.66 2duo s SER 178 N 0.18 0.12 0.15 3.58 1.04 -0.64 -0.67 113.70 117.45 2duo s SER 178 Ca 0.07 -1.10 0.10 0.00 0.48 0.00 0.00 55.95 55.50 2duo s SER 178 Cb -0.12 0.41 -0.04 0.00 0.10 0.00 0.00 66.02 66.37 2duo s SER 178 CO -0.01 -0.88 -0.22 0.68 0.98 0.00 0.00 173.24 173.80 2duo s VAL 179 N -4.04 2.02 -0.04 5.02 -7.23 -0.77 -0.39 120.40 114.96 2duo s VAL 179 Ca 0.25 -1.82 -0.03 0.00 -1.81 0.00 0.00 61.98 58.57 2duo s VAL 179 Cb 0.05 -1.87 0.02 0.00 0.56 0.00 0.00 36.38 35.13 2duo s VAL 179 CO 0.05 -0.12 0.11 -0.32 -0.31 0.00 0.00 175.10 174.51 2duo s MET 180 N -2.39 0.11 -0.09 4.82 0.00 -0.60 -1.42 119.30 119.73 2duo s MET 180 Ca 0.14 0.19 0.03 0.00 0.00 0.00 0.00 55.69 56.06 2duo s MET 180 Cb -0.08 -0.00 -0.01 0.00 0.00 0.00 0.00 34.83 34.73 2duo s MET 180 CO 0.07 -0.05 -0.20 0.08 0.00 0.00 0.00 175.02 174.92 2duo s VAL 181 N 0.33 2.48 -0.01 10.11 1.01 -1.26 -0.88 120.40 132.17 2duo s VAL 181 Ca -0.02 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 2duo s VAL 181 Cb -0.03 -1.97 0.00 0.00 0.00 0.00 0.00 36.38 34.38 2duo s VAL 181 CO -0.01 0.55 -0.04 0.21 0.00 0.00 0.00 175.10 175.81 2duo s ASN 182 N 0.11 0.55 -0.37 3.32 3.84 0.03 -4.95 114.94 117.47 2duo s ASN 182 Ca -0.10 -0.08 0.05 0.00 0.21 0.00 0.00 52.86 52.94 2duo s ASN 182 Cb -0.16 -0.11 0.46 0.00 -0.55 0.00 0.00 41.25 40.89 2duo s ASN 182 CO 0.06 0.03 1.38 -3.20 -2.79 0.00 0.00 177.10 172.58 2duo n ASN 183 N 3.18 5.55 0.00 -4.21 5.15 -1.26 -0.54 115.26 123.12 2duo n ASN 183 Ca -0.15 -3.76 0.00 0.00 -0.60 0.00 0.00 54.58 50.07 2duo n ASN 183 Cb 0.57 -0.48 0.00 0.00 -0.53 0.00 0.00 39.78 39.34 2duo n ASN 183 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2duo n GLY 184 N -0.76 3.18 0.09 8.20 0.00 -0.64 -4.88 105.19 110.39 2duo n GLY 184 Ca 0.48 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 2duo n GLY 184 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2duo h SER 185 N 0.00 0.00 -3.29 1.61 0.02 -1.85 -3.42 113.55 106.61 2duo h SER 185 Ca 0.00 0.00 -0.56 0.00 -0.84 0.00 0.00 61.79 60.39 2duo h SER 185 Cb 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2duo h SER 185 CO 0.00 0.78 -0.01 -0.76 -1.14 0.00 0.00 176.83 175.70 2duo s LEU 186 N -6.53 4.51 -0.15 5.07 1.43 -1.26 -5.00 118.68 116.74 2duo s LEU 186 Ca 0.02 1.30 -0.07 0.00 -1.03 0.00 0.00 54.13 54.35 2duo s LEU 186 Cb 0.09 -3.02 -0.04 0.00 0.03 0.00 0.00 46.19 43.25 2duo s LEU 186 CO 0.79 0.24 0.07 -0.55 0.23 0.00 0.00 176.35 177.13 2duo s SER 187 N -1.21 5.78 -0.19 2.29 0.15 -1.26 -3.20 113.70 116.07 2duo s SER 187 Ca 0.31 0.19 -0.29 0.00 0.70 0.00 0.00 55.95 56.86 2duo s SER 187 Cb -0.19 -1.92 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2duo s SER 187 CO 0.20 0.26 1.39 -0.47 1.20 0.00 0.00 173.24 175.82 2duo s TYR 188 N -0.14 2.55 -0.90 3.44 5.04 -1.26 -4.90 117.35 121.18 2duo s TYR 188 Ca 0.08 0.77 -0.20 0.00 -2.44 0.00 0.00 57.07 55.28 2duo s TYR 188 Cb -0.12 -3.73 0.11 0.00 0.35 0.00 0.00 41.96 38.56 2duo s TYR 188 CO 0.01 -2.24 1.16 0.34 -1.34 0.00 0.00 175.55 173.48 2duo s ASP 189 N 2.73 6.53 0.24 4.32 3.68 -1.26 -4.86 116.67 128.05 2duo s ASP 189 Ca 0.61 -1.75 -0.06 0.00 2.13 0.00 0.00 52.55 53.48 2duo s ASP 189 Cb -0.23 -2.44 0.29 0.00 -1.45 0.00 0.00 42.92 39.10 2duo s ASP 189 CO 0.21 -1.21 1.89 -0.74 0.13 0.00 0.00 175.17 175.45 2duo h HIS 190 N 9.14 1.14 -0.04 -5.34 -0.00 -1.93 -0.20 115.15 117.93 2duo h HIS 190 Ca 0.09 0.03 0.01 0.00 -0.00 0.00 0.00 60.37 60.50 2duo h HIS 190 Cb 1.03 -0.38 -0.00 0.00 -0.00 0.00 0.00 27.41 28.06 2duo h HIS 190 CO 1.16 0.66 0.12 0.66 -0.00 0.00 0.00 177.93 180.52 2duo h SER 191 N 1.18 0.00 0.00 3.26 4.64 -1.93 -1.95 113.55 118.75 2duo h SER 191 Ca 0.37 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.69 2duo h SER 191 Cb -0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 2duo h SER 191 CO -0.12 0.00 -0.22 0.29 -0.87 0.00 0.00 176.83 175.91 2duo n LYS 192 N -3.26 1.36 -4.00 4.77 4.76 -0.43 -3.15 118.16 118.22 2duo n LYS 192 Ca -0.02 -2.83 -0.33 0.00 -2.87 0.00 0.00 58.31 52.27 2duo n LYS 192 Cb 0.20 -1.51 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 2duo n LYS 192 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2duo n ASP 193 N -1.26 -3.84 -2.01 4.39 9.92 -0.73 -1.54 116.55 121.48 2duo n ASP 193 Ca 0.17 -0.84 -0.21 0.00 -0.53 0.00 0.00 54.79 53.38 2duo n ASP 193 Cb 0.67 -3.12 -0.05 0.00 -0.64 0.00 0.00 41.12 37.98 2duo n ASP 193 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2duo n GLY 194 N -1.44 0.74 0.32 0.44 0.00 -0.22 -4.88 105.19 100.15 2duo n GLY 194 Ca 0.06 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.23 2duo n GLY 194 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2duo h ARG 195 N 0.00 0.16 0.00 1.61 2.43 -1.52 -2.11 114.38 114.94 2duo h ARG 195 Ca -0.46 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2duo h ARG 195 Cb 1.37 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.88 2duo h ARG 195 CO 0.61 0.10 0.00 -1.49 -1.51 0.00 0.00 179.97 177.68 2duo h TRP 196 N 0.16 0.00 0.00 2.20 4.06 -1.90 -3.26 115.95 117.21 2duo h TRP 196 Ca 0.60 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.55 2duo h TRP 196 Cb 1.26 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.42 2duo h TRP 196 CO -0.27 0.00 0.00 0.25 -3.56 0.00 0.00 178.44 174.86 2duo n THR 197 N -3.04 0.42 -2.05 1.49 -2.24 -0.85 -5.04 114.28 102.97 2duo n THR 197 Ca 0.03 -0.70 -0.42 0.00 -2.27 0.00 0.00 64.05 60.69 2duo n THR 197 Cb 0.46 0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 69.46 2duo n THR 197 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2duo s GLU 198 N -0.42 4.23 0.01 -0.78 2.12 -0.89 -4.69 118.70 118.28 2duo s GLU 198 Ca 0.00 2.18 -0.18 0.00 0.36 0.00 0.00 54.97 57.33 2duo s GLU 198 Cb 0.00 -3.62 -0.31 0.00 0.26 0.00 0.00 34.13 30.46 2duo s GLU 198 CO 0.00 -0.69 1.02 -0.07 -0.54 0.00 0.00 175.26 174.98 2duo h LEU 199 N 8.64 0.71 -7.04 2.70 3.38 -1.61 -3.49 115.31 118.60 2duo h LEU 199 Ca -0.40 -0.88 0.19 0.00 0.09 0.00 0.00 57.88 56.87 2duo h LEU 199 Cb 1.19 -0.23 -0.16 0.00 0.09 0.00 0.00 40.66 41.55 2duo h LEU 199 CO 0.92 1.53 0.65 0.00 0.09 0.00 0.00 178.44 181.63 2duo s ALA 200 N -2.75 -1.94 0.10 1.53 0.00 -1.26 -5.03 121.76 112.41 2duo s ALA 200 Ca -0.11 1.21 -0.25 0.00 0.00 0.00 0.00 51.96 52.82 2duo s ALA 200 Cb 0.04 0.19 0.08 0.00 0.00 0.00 0.00 23.12 23.43 2duo s ALA 200 CO 0.89 -0.68 1.15 0.20 0.00 0.00 0.00 175.76 177.32 2duo s GLY 201 N -2.39 0.04 -0.06 0.00 0.00 -1.26 -1.84 107.32 101.80 2duo s GLY 201 Ca 0.08 -0.22 -0.28 0.00 0.00 0.00 0.00 44.72 44.30 2duo s GLY 201 CO -0.06 4.09 0.62 0.00 0.00 0.00 0.00 173.10 177.74 2duo s THR 203 N -1.11 3.44 -0.24 0.00 -1.32 -1.26 -0.96 115.64 114.19 2duo s THR 203 Ca -0.11 0.83 -0.11 0.00 -1.21 0.00 0.00 61.69 61.09 2duo s THR 203 Cb -0.01 -3.32 0.09 0.00 -1.51 0.00 0.00 72.50 67.75 2duo s THR 203 CO 0.08 -0.26 0.55 0.00 -2.21 0.00 0.00 174.62 172.79 2duo s ALA 204 N -2.02 -1.56 -0.78 11.08 0.00 -0.13 -4.84 121.76 123.52 2duo s ALA 204 Ca 0.69 1.98 -0.18 0.00 0.00 0.00 0.00 51.96 54.46 2duo s ALA 204 Cb -0.20 -1.37 0.14 0.00 0.00 0.00 0.00 23.12 21.69 2duo s ALA 204 CO 0.29 -0.57 0.89 0.34 0.00 0.00 0.00 175.76 176.71 2duo s ASP 205 N 2.10 6.50 0.00 0.00 2.15 -1.26 -3.78 116.67 122.38 2duo s ASP 205 Ca -0.07 -1.96 0.00 0.00 0.43 0.00 0.00 52.55 50.95 2duo s ASP 205 Cb -0.09 -2.32 0.00 0.00 -0.30 0.00 0.00 42.92 40.21 2duo s ASP 205 CO -0.16 -0.98 0.31 2.22 -0.17 0.00 0.00 175.17 176.38 2duo n PHE 206 N 5.89 0.00 -3.22 -5.34 -1.74 -1.26 -4.91 117.46 106.89 2duo n PHE 206 Ca 0.09 0.00 -0.36 0.00 -0.56 0.00 0.00 57.45 56.63 2duo n PHE 206 Cb 0.46 0.00 -0.06 0.00 1.52 0.00 0.00 39.48 41.40 2duo n PHE 206 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 2duo s ARG 207 N -0.15 4.12 -1.51 3.97 0.52 -1.26 -4.39 118.95 120.25 2duo s ARG 207 Ca 0.00 0.69 -0.13 0.00 -0.52 0.00 0.00 55.73 55.77 2duo s ARG 207 Cb 0.00 -2.90 0.08 0.00 0.52 0.00 0.00 34.95 32.64 2duo s ARG 207 CO 0.00 0.43 0.97 0.09 0.02 0.00 0.00 175.30 176.81 2duo n ASN 208 N 0.76 -4.99 -4.84 0.23 3.02 -0.59 -4.97 115.26 103.88 2duo n ASN 208 Ca -0.04 -0.72 -0.34 0.00 -0.03 0.00 0.00 54.58 53.45 2duo n ASN 208 Cb 0.51 -3.98 -0.06 0.00 -0.61 0.00 0.00 39.78 35.65 2duo n ASN 208 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2duo s ARG 209 N -6.54 4.10 -0.01 3.52 1.81 -1.26 -4.98 118.95 115.59 2duo s ARG 209 Ca 0.64 0.75 0.04 0.00 -1.72 0.00 0.00 55.73 55.44 2duo s ARG 209 Cb -0.32 -2.62 0.14 0.00 -0.45 0.00 0.00 34.95 31.70 2duo s ARG 209 CO 0.79 0.26 1.05 -0.25 -0.68 0.00 0.00 175.30 176.46 2duo n ASP 210 N 0.09 0.97 -4.04 0.23 8.00 -1.26 -4.85 116.55 115.68 2duo n ASP 210 Ca 0.01 -2.03 -0.10 0.00 0.71 0.00 0.00 54.79 53.38 2duo n ASP 210 Cb 0.52 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.38 2duo n ASP 210 CO 0.00 0.00 0.00 -1.38 -0.39 0.00 0.00 177.20 175.43 2duo s HIS 211 N -1.73 0.60 0.46 1.24 -3.43 -1.26 -5.15 115.29 106.01 2duo s HIS 211 Ca 0.10 -0.92 -0.24 0.00 -0.80 0.00 0.00 55.06 53.20 2duo s HIS 211 Cb 0.06 -0.10 -0.07 0.00 -1.43 0.00 0.00 32.58 31.03 2duo s HIS 211 CO 0.06 -0.81 1.28 -0.51 -2.00 0.00 0.00 174.74 172.76 2duo s ASP 212 N -3.04 6.01 -0.05 7.38 1.01 -1.26 -5.02 116.67 121.70 2duo s ASP 212 Ca 0.25 2.59 0.06 0.00 0.71 0.00 0.00 52.55 56.16 2duo s ASP 212 Cb 0.03 -2.63 -0.01 0.00 1.01 0.00 0.00 42.92 41.32 2duo s ASP 212 CO 0.07 -1.05 -0.24 0.42 0.21 0.00 0.00 175.17 174.58 2duo s THR 213 N -1.35 1.92 0.10 -1.27 -4.23 -1.26 -4.68 115.64 104.88 2duo s THR 213 Ca 0.62 -1.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.16 2duo s THR 213 Cb -0.36 -1.63 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 2duo s THR 213 CO 0.45 0.54 -0.08 -0.36 -0.54 0.00 0.00 174.62 174.63 2duo s PHE 214 N -0.20 0.96 0.02 3.99 0.40 -0.45 -2.75 117.98 119.94 2duo s PHE 214 Ca -0.01 -0.80 0.03 0.00 -0.60 0.00 0.00 56.93 55.55 2duo s PHE 214 Cb -0.13 -0.53 -0.01 0.00 0.51 0.00 0.00 43.02 42.86 2duo s PHE 214 CO 0.03 -0.08 -0.09 -1.17 0.70 0.00 0.00 175.22 174.61 2duo s LEU 215 N -2.79 2.12 -0.03 -0.37 2.96 -0.29 -1.35 118.68 118.93 2duo s LEU 215 Ca 0.09 -0.32 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 2duo s LEU 215 Cb 0.02 -0.34 -0.01 0.00 0.50 0.00 0.00 46.19 46.35 2duo s LEU 215 CO -0.02 -0.01 -0.20 0.00 -1.32 0.00 0.00 176.35 174.80 2duo s ALA 216 N -0.66 1.67 -0.18 5.97 0.00 -0.13 0.06 121.76 128.50 2duo s ALA 216 Ca -0.01 -0.83 -0.00 0.00 0.00 0.00 0.00 51.96 51.11 2duo s ALA 216 Cb -0.06 -0.47 0.05 0.00 0.00 0.00 0.00 23.12 22.64 2duo s ALA 216 CO 0.00 0.37 -0.05 0.08 0.00 0.00 0.00 175.76 176.17 2duo s VAL 217 N -0.30 1.17 -0.11 0.00 1.01 -0.21 -0.93 120.40 121.04 2duo s VAL 217 Ca 0.03 -0.76 -0.01 0.00 0.00 0.00 0.00 61.98 61.25 2duo s VAL 217 Cb -0.09 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.87 2duo s VAL 217 CO 0.00 0.06 -0.08 -0.60 0.00 0.00 0.00 175.10 174.48 2duo s ARG 218 N 1.59 3.16 -0.12 2.72 3.52 0.19 -0.54 118.95 129.47 2duo s ARG 218 Ca -0.01 -0.58 -0.02 0.00 -0.13 0.00 0.00 55.73 54.99 2duo s ARG 218 Cb -0.16 -2.68 0.04 0.00 -1.56 0.00 0.00 34.95 30.58 2duo s ARG 218 CO -0.07 0.43 0.00 -0.47 -0.81 0.00 0.00 175.30 174.37 2duo s TYR 219 N -0.17 0.90 -0.28 5.12 5.04 -0.17 -1.15 117.35 126.63 2duo s TYR 219 Ca 0.02 -0.47 -0.16 0.00 -2.44 0.00 0.00 57.07 54.03 2duo s TYR 219 Cb -0.13 -0.93 0.09 0.00 0.35 0.00 0.00 41.96 41.33 2duo s TYR 219 CO 0.03 -0.44 0.71 0.45 -1.34 0.00 0.00 175.55 174.95 2duo s SER 220 N 1.90 -0.93 -1.42 4.32 0.15 -0.65 -1.47 113.70 115.59 2duo s SER 220 Ca 0.03 1.47 -0.06 0.00 0.70 0.00 0.00 55.95 58.09 2duo s SER 220 Cb -0.14 1.43 0.04 0.00 -1.71 0.00 0.00 66.02 65.64 2duo s SER 220 CO -0.06 -0.23 0.75 0.54 1.20 0.00 0.00 173.24 175.43 2duo n ARG 221 N 4.35 -4.73 -0.28 5.44 1.74 -1.26 -1.34 116.66 120.57 2duo n ARG 221 Ca -0.19 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.45 2duo n ARG 221 Cb 0.58 -5.16 0.00 0.00 -1.02 0.00 0.00 32.46 26.86 2duo n ARG 221 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2duo n GLY 222 N -1.68 2.44 3.65 -0.13 0.00 -1.26 -4.83 105.19 103.39 2duo n GLY 222 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 2duo n GLY 222 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2duo s ARG 223 N -0.00 4.11 -0.20 1.61 3.52 -0.45 -1.44 118.95 126.10 2duo s ARG 223 Ca 0.00 0.07 -0.03 0.00 -0.13 0.00 0.00 55.73 55.64 2duo s ARG 223 Cb 0.00 -3.57 -0.01 0.00 -1.56 0.00 0.00 34.95 29.81 2duo s ARG 223 CO 0.00 -0.08 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.17 2duo s LEU 224 N 1.46 2.83 -0.10 -0.88 2.96 -0.16 -1.64 118.68 123.16 2duo s LEU 224 Ca 0.16 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.70 2duo s LEU 224 Cb -0.15 -1.70 0.01 0.00 0.50 0.00 0.00 46.19 44.85 2duo s LEU 224 CO 0.08 0.02 -0.15 -0.89 -1.32 0.00 0.00 176.35 174.09 2duo s THR 225 N 1.23 1.43 -0.12 3.68 2.01 -0.30 -1.36 115.64 122.21 2duo s THR 225 Ca 0.03 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.41 2duo s THR 225 Cb -0.14 -1.30 -0.02 0.00 0.01 0.00 0.00 72.50 71.05 2duo s THR 225 CO -0.02 0.43 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 2duo s VAL 226 N 0.86 3.08 0.10 3.82 1.01 -0.20 -0.64 120.40 128.43 2duo s VAL 226 Ca -0.10 -0.66 0.06 0.00 0.00 0.00 0.00 61.98 61.29 2duo s VAL 226 Cb -0.15 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2duo s VAL 226 CO 0.01 0.53 -0.16 -0.04 0.00 0.00 0.00 175.10 175.43 2duo s MET 227 N 0.25 0.97 0.16 2.72 -1.94 -0.11 -0.90 119.30 120.46 2duo s MET 227 Ca -0.09 -1.10 0.09 0.00 -1.71 0.00 0.00 55.69 52.88 2duo s MET 227 Cb -0.15 -1.04 -0.04 0.00 2.01 0.00 0.00 34.83 35.61 2duo s MET 227 CO 0.05 0.23 -0.20 0.95 -0.01 0.00 0.00 175.02 176.04 2duo s THR 228 N -1.46 1.92 -0.39 2.05 -4.23 0.23 -0.95 115.64 112.82 2duo s THR 228 Ca 0.04 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.70 2duo s THR 228 Cb -0.09 -1.85 0.14 0.00 1.34 0.00 0.00 72.50 72.05 2duo s THR 228 CO 0.03 -0.21 0.24 -0.62 -0.54 0.00 0.00 174.62 173.53 2duo s ASP 229 N -2.49 3.04 0.00 3.99 2.15 -0.46 -0.28 116.67 122.63 2duo s ASP 229 Ca 0.15 -2.45 0.00 0.00 0.43 0.00 0.00 52.55 50.67 2duo s ASP 229 Cb -0.07 -0.62 0.00 0.00 -0.30 0.00 0.00 42.92 41.93 2duo s ASP 229 CO 0.07 -0.28 0.10 0.18 -0.17 0.00 0.00 175.17 175.08 2duo n LEU 230 N 3.71 0.21 -0.40 -1.34 4.77 -1.26 -1.34 117.00 121.35 2duo n LEU 230 Ca 0.13 -0.55 0.04 0.00 -0.03 0.00 0.00 56.01 55.60 2duo n LEU 230 Cb 0.37 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.57 2duo n LEU 230 CO 0.17 0.05 0.59 -0.62 -1.33 0.00 0.00 177.39 176.25 2duo n GLU 231 N -0.69 2.84 -2.25 3.23 -0.58 -1.26 -4.92 120.64 117.00 2duo n GLU 231 Ca 0.00 -1.95 -0.15 0.00 -0.42 0.00 0.00 57.16 54.64 2duo n GLU 231 Cb 0.01 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 29.63 2duo n GLU 231 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 2duo n ASP 232 N -0.04 -4.45 -0.21 1.62 4.64 -1.26 -4.93 116.55 111.92 2duo n ASP 232 Ca 0.08 -0.00 0.12 0.00 -1.38 0.00 0.00 54.79 53.62 2duo n ASP 232 Cb 0.41 -3.60 0.29 0.00 -1.04 0.00 0.00 41.12 37.19 2duo n ASP 232 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 2duo n LYS 233 N -2.41 0.66 -3.93 -0.67 5.02 -1.26 -4.96 118.16 110.61 2duo n LYS 233 Ca -0.17 -0.42 -0.30 0.00 -2.02 0.00 0.00 58.31 55.41 2duo n LYS 233 Cb 0.63 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 34.16 2duo n LYS 233 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2duo n ASN 234 N -0.81 -3.98 -3.96 4.39 5.15 -1.26 -4.97 115.26 109.82 2duo n ASN 234 Ca 0.10 -0.82 -0.09 0.00 -0.60 0.00 0.00 54.58 53.16 2duo n ASN 234 Cb 0.36 -3.73 -0.11 0.00 -0.53 0.00 0.00 39.78 35.77 2duo n ASN 234 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 2duo s GLU 235 N -6.58 0.34 -0.35 1.20 2.02 -1.26 -5.13 118.70 108.94 2duo s GLU 235 Ca 0.56 -0.58 -0.16 0.00 0.02 0.00 0.00 54.97 54.81 2duo s GLU 235 Cb -0.29 0.13 -0.01 0.00 0.10 0.00 0.00 34.13 34.06 2duo s GLU 235 CO 0.84 -0.06 0.41 -1.58 0.02 0.00 0.00 175.26 174.89 2duo s TRP 236 N -1.47 3.20 -0.08 1.61 0.23 -1.26 -4.21 118.94 116.96 2duo s TRP 236 Ca -0.16 0.02 -0.14 0.00 -2.03 0.00 0.00 56.10 53.79 2duo s TRP 236 Cb -0.09 -2.76 -0.05 0.00 0.03 0.00 0.00 33.47 30.60 2duo s TRP 236 CO -0.01 -0.48 0.34 0.21 0.96 0.00 0.00 176.95 177.97 2duo s LYS 237 N 2.14 3.99 0.28 4.98 2.20 0.62 -4.85 119.74 129.10 2duo s LYS 237 Ca 0.14 0.24 -0.29 0.00 -0.36 0.00 0.00 55.97 55.69 2duo s LYS 237 Cb -0.16 -3.30 -0.10 0.00 -1.51 0.00 0.00 37.83 32.76 2duo s LYS 237 CO 0.12 0.51 1.34 1.21 -0.36 0.00 0.00 175.35 178.17 2duo s ASN 238 N -0.43 6.79 -0.07 1.43 3.84 -1.26 -0.60 114.94 124.63 2duo s ASN 238 Ca 0.20 2.60 -0.05 0.00 0.21 0.00 0.00 52.86 55.83 2duo s ASN 238 Cb -0.15 -2.63 -0.04 0.00 -0.55 0.00 0.00 41.25 37.88 2duo s ASN 238 CO 0.09 -0.56 -0.12 0.00 -2.79 0.00 0.00 177.10 173.71 2duo s ILE 240 N -2.20 0.46 -0.26 0.00 1.01 -0.75 -4.49 121.20 114.96 2duo s ILE 240 Ca -0.12 -0.23 -0.02 0.00 0.00 0.00 0.00 60.65 60.28 2duo s ILE 240 Cb 0.04 -0.40 0.13 0.00 0.01 0.00 0.00 42.46 42.24 2duo s ILE 240 CO 0.16 0.14 0.29 -0.62 0.00 0.00 0.00 174.94 174.91 2duo s ASP 241 N -0.01 1.43 0.15 3.58 -1.08 -1.26 -1.03 116.67 118.45 2duo s ASP 241 Ca 0.01 -0.50 0.05 0.00 -0.52 0.00 0.00 52.55 51.58 2duo s ASP 241 Cb -0.04 0.55 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 2duo s ASP 241 CO -0.00 -0.36 -0.11 0.27 0.52 0.00 0.00 175.17 175.48 2duo s ILE 242 N 2.38 1.24 0.39 4.11 -4.36 -0.46 -5.01 121.20 119.49 2duo s ILE 242 Ca 0.09 -2.00 0.04 0.00 -0.26 0.00 0.00 60.65 58.52 2duo s ILE 242 Cb -0.15 -1.79 -0.05 0.00 1.25 0.00 0.00 42.46 41.72 2duo s ILE 242 CO -0.26 -0.67 0.05 0.42 0.24 0.00 0.00 174.94 174.73 2duo s THR 243 N -3.06 1.23 -0.51 8.37 -4.23 -1.26 -0.99 115.64 115.19 2duo s THR 243 Ca 0.15 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2duo s THR 243 Cb 0.01 -2.64 0.00 0.00 1.34 0.00 0.00 72.50 71.20 2duo s THR 243 CO 0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2duo n GLY 244 N -0.89 0.75 3.64 3.99 0.00 -0.78 -4.72 105.19 107.18 2duo n GLY 244 Ca -0.06 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 44.76 2duo n GLY 244 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2duo s VAL 245 N -2.16 4.82 -0.25 1.61 1.01 -0.52 0.32 120.40 125.23 2duo s VAL 245 Ca 0.00 1.49 -0.07 0.00 0.00 0.00 0.00 61.98 63.40 2duo s VAL 245 Cb 0.00 -4.12 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2duo s VAL 245 CO 0.00 -0.11 0.06 -0.13 0.00 0.00 0.00 175.10 174.92 2duo s ARG 246 N 2.88 3.55 0.00 2.72 1.81 0.43 -4.14 118.95 126.20 2duo s ARG 246 Ca 0.34 -0.54 0.01 0.00 -1.72 0.00 0.00 55.73 53.83 2duo s ARG 246 Cb -0.15 -3.29 -0.01 0.00 -0.45 0.00 0.00 34.95 31.05 2duo s ARG 246 CO 0.08 -0.22 -0.05 -0.51 -0.68 0.00 0.00 175.30 173.92 2duo s LEU 247 N 1.59 2.04 0.74 2.53 1.43 -1.26 -1.52 118.68 124.23 2duo s LEU 247 Ca 0.06 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.91 2duo s LEU 247 Cb -0.15 -0.22 0.04 0.00 0.03 0.00 0.00 46.19 45.88 2duo s LEU 247 CO 0.03 0.02 1.11 -2.16 0.23 0.00 0.00 176.35 175.58 2duo s PRO 248 N -0.27 2.53 0.73 1.29 0.04 -1.25 -4.91 135.00 133.15 2duo s PRO 248 Ca 0.00 0.43 -0.10 0.00 0.04 0.00 0.00 61.00 61.38 2duo s PRO 248 Cb -0.03 -1.99 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2duo s PRO 248 CO -0.00 -1.27 1.08 0.95 0.04 0.00 0.00 177.00 177.81 2duo s THR 249 N -3.35 2.61 0.00 1.26 -4.23 -0.38 -4.52 115.64 107.03 2duo s THR 249 Ca 0.59 0.04 0.00 0.00 -1.18 0.00 0.00 61.69 61.14 2duo s THR 249 Cb -0.12 -3.16 0.00 0.00 1.34 0.00 0.00 72.50 70.56 2duo s THR 249 CO 0.52 -0.20 0.00 0.61 -0.54 0.00 0.00 174.62 175.01 2duo n GLY 250 N -3.05 0.67 3.96 3.99 0.00 0.24 -4.33 105.19 106.66 2duo n GLY 250 Ca 0.07 -0.18 -0.23 0.00 0.00 0.00 0.00 46.02 45.69 2duo n GLY 250 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2duo s TYR 251 N -2.00 2.93 -0.14 1.61 1.51 -1.24 -4.62 117.35 115.40 2duo s TYR 251 Ca 0.00 0.14 -0.05 0.00 -1.01 0.00 0.00 57.07 56.15 2duo s TYR 251 Cb 0.00 -2.80 -0.04 0.00 -0.11 0.00 0.00 41.96 39.02 2duo s TYR 251 CO 0.00 -0.93 0.05 0.71 -1.11 0.00 0.00 175.55 174.27 2duo s TYR 252 N -2.85 3.27 0.21 2.71 1.51 0.68 -0.79 117.35 122.07 2duo s TYR 252 Ca 0.57 0.17 -0.30 0.00 -1.01 0.00 0.00 57.07 56.50 2duo s TYR 252 Cb -0.10 -1.94 -0.08 0.00 -0.11 0.00 0.00 41.96 39.72 2duo s TYR 252 CO 0.40 0.36 1.00 -0.06 -1.11 0.00 0.00 175.55 176.13 2duo s PHE 253 N -0.32 3.81 0.22 2.71 0.08 -1.26 -1.40 117.98 121.83 2duo s PHE 253 Ca 0.08 1.80 -0.16 0.00 0.12 0.00 0.00 56.93 58.77 2duo s PHE 253 Cb -0.12 -3.10 0.02 0.00 -0.57 0.00 0.00 43.02 39.25 2duo s PHE 253 CO 0.02 0.05 0.53 0.20 -0.10 0.00 0.00 175.22 175.91 2duo s GLY 254 N -0.67 0.11 0.02 4.36 0.00 -0.81 -0.81 107.32 109.53 2duo s GLY 254 Ca 0.44 -0.45 0.01 0.00 0.00 0.00 0.00 44.72 44.72 2duo s GLY 254 CO 0.33 -0.37 -0.06 0.00 0.00 0.00 0.00 173.10 173.01 2duo s ALA 255 N -3.93 0.41 0.14 3.20 0.00 0.04 -0.86 121.76 120.76 2duo s ALA 255 Ca 0.14 -0.52 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 2duo s ALA 255 Cb -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2duo s ALA 255 CO 0.02 -0.01 0.14 -1.54 0.00 0.00 0.00 175.76 174.38 2duo s SER 256 N -1.02 0.21 0.07 0.00 1.04 0.33 -0.90 113.70 113.41 2duo s SER 256 Ca -0.07 -1.05 -0.08 0.00 0.48 0.00 0.00 55.95 55.23 2duo s SER 256 Cb -0.07 0.35 -0.00 0.00 0.10 0.00 0.00 66.02 66.40 2duo s SER 256 CO -0.00 -0.79 0.18 0.00 0.98 0.00 0.00 173.24 173.61 2duo s ALA 257 N -4.01 -0.24 0.08 5.32 0.00 -0.25 -0.75 121.76 121.92 2duo s ALA 257 Ca 0.20 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2duo s ALA 257 Cb 0.06 0.39 -0.04 0.00 0.00 0.00 0.00 23.12 23.53 2duo s ALA 257 CO 0.00 -0.44 -0.06 0.20 0.00 0.00 0.00 175.76 175.47 2duo s GLY 258 N -2.53 0.66 0.11 0.00 0.00 -1.16 -2.13 107.32 102.26 2duo s GLY 258 Ca 0.01 -1.23 0.05 0.00 0.00 0.00 0.00 44.72 43.54 2duo s GLY 258 CO -0.08 -1.33 -0.12 -0.51 0.00 0.00 0.00 173.10 171.05 2duo s THR 259 N -3.39 1.15 0.00 0.90 -4.23 0.04 -0.27 115.64 109.84 2duo s THR 259 Ca 0.08 -1.63 0.00 0.00 -1.18 0.00 0.00 61.69 58.96 2duo s THR 259 Cb 0.04 -1.40 0.00 0.00 1.34 0.00 0.00 72.50 72.48 2duo s THR 259 CO -0.05 -0.45 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 2duo n GLY 260 N 0.64 2.51 0.26 3.99 0.00 -1.26 -2.73 105.19 108.60 2duo n GLY 260 Ca -0.16 -0.13 0.15 0.00 0.00 0.00 0.00 46.02 45.88 2duo n GLY 260 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2duo h ASP 261 N 0.00 0.00 -3.30 1.61 3.32 -1.97 -1.23 116.42 114.86 2duo h ASP 261 Ca 0.00 0.00 -0.65 0.00 0.02 0.00 0.00 57.03 56.40 2duo h ASP 261 Cb 0.00 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 39.44 2duo h ASP 261 CO 0.00 0.07 -0.64 -0.76 -1.72 0.00 0.00 179.24 176.19 2duo s LEU 262 N -6.42 3.59 0.32 1.55 1.43 -1.26 -4.92 118.68 112.97 2duo s LEU 262 Ca 0.00 -0.07 0.04 0.00 -1.03 0.00 0.00 54.13 53.08 2duo s LEU 262 Cb 0.10 -2.23 -0.03 0.00 0.03 0.00 0.00 46.19 44.05 2duo s LEU 262 CO 0.57 0.21 0.19 -0.94 0.23 0.00 0.00 176.35 176.60 2duo s SER 263 N -2.09 1.64 -0.13 2.29 1.04 -1.23 -4.19 113.70 111.03 2duo s SER 263 Ca 0.25 -1.62 -0.31 0.00 0.48 0.00 0.00 55.95 54.75 2duo s SER 263 Cb -0.12 0.45 0.13 0.00 0.10 0.00 0.00 66.02 66.58 2duo s SER 263 CO 0.17 -0.94 1.06 -1.81 0.98 0.00 0.00 173.24 172.69 2duo s ASP 264 N -3.39 -0.27 0.05 7.02 1.01 -1.06 -2.48 116.67 117.55 2duo s ASP 264 Ca 0.36 0.14 -0.31 0.00 0.71 0.00 0.00 52.55 53.45 2duo s ASP 264 Cb 0.04 0.26 -0.06 0.00 1.01 0.00 0.00 42.92 44.17 2duo s ASP 264 CO 0.20 -0.37 1.28 0.20 0.21 0.00 0.00 175.17 176.69 2duo s ASN 265 N -1.80 6.97 -0.32 0.27 0.01 -0.14 -3.73 114.94 116.20 2duo s ASN 265 Ca 0.04 2.09 0.03 0.00 -0.71 0.00 0.00 52.86 54.32 2duo s ASN 265 Cb -0.01 -2.58 0.09 0.00 0.41 0.00 0.00 41.25 39.17 2duo s ASN 265 CO -0.04 -0.57 0.02 -1.00 -1.51 0.00 0.00 177.10 174.00 2duo s HIS 266 N 1.43 3.44 -0.07 2.20 3.76 -1.00 -1.98 115.29 123.08 2duo s HIS 266 Ca 0.61 -2.73 0.01 0.00 -0.15 0.00 0.00 55.06 52.80 2duo s HIS 266 Cb -0.31 -2.60 -0.03 0.00 1.11 0.00 0.00 32.58 30.75 2duo s HIS 266 CO 0.28 -0.92 -0.07 -0.51 -0.85 0.00 0.00 174.74 172.67 2duo s ASP 267 N 1.02 4.64 -0.25 1.40 1.01 -0.01 -0.17 116.67 124.31 2duo s ASP 267 Ca 0.07 -0.04 -0.07 0.00 0.71 0.00 0.00 52.55 53.23 2duo s ASP 267 Cb -0.19 -1.21 -0.02 0.00 1.01 0.00 0.00 42.92 42.51 2duo s ASP 267 CO -0.09 0.35 0.05 -0.63 0.21 0.00 0.00 175.17 175.05 2duo s ILE 268 N -0.71 4.07 -0.19 0.77 -1.09 0.41 -0.93 121.20 123.53 2duo s ILE 268 Ca 0.11 -0.30 -0.21 0.00 -2.23 0.00 0.00 60.65 58.02 2duo s ILE 268 Cb -0.11 -2.92 -0.21 0.00 -1.58 0.00 0.00 42.46 37.64 2duo s ILE 268 CO 0.02 0.33 0.31 0.40 -1.23 0.00 0.00 174.94 174.76 2duo h ILE 269 N 5.62 0.98 -3.10 2.92 5.03 -0.71 0.79 117.51 129.04 2duo h ILE 269 Ca -0.38 -2.23 -0.08 0.00 -0.12 0.00 0.00 64.86 62.05 2duo h ILE 269 Cb 1.17 2.40 -0.16 0.00 -3.03 0.00 0.00 36.82 37.19 2duo h ILE 269 CO 0.59 0.42 -0.12 -0.94 -0.68 0.00 0.00 178.15 177.42 2duo s SER 270 N -6.82 -0.26 -0.09 1.72 1.04 -0.95 -4.64 113.70 103.70 2duo s SER 270 Ca -0.27 -0.05 -0.00 0.00 0.48 0.00 0.00 55.95 56.11 2duo s SER 270 Cb 0.05 0.42 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2duo s SER 270 CO 0.63 -0.68 -0.05 -0.04 0.98 0.00 0.00 173.24 174.09 2duo s MET 271 N -2.61 1.12 -0.19 4.02 -1.94 -0.41 -0.61 119.30 118.68 2duo s MET 271 Ca -0.04 -0.12 0.01 0.00 -1.71 0.00 0.00 55.69 53.83 2duo s MET 271 Cb -0.01 -1.25 0.03 0.00 2.01 0.00 0.00 34.83 35.62 2duo s MET 271 CO -0.03 -0.23 -0.13 0.15 -0.01 0.00 0.00 175.02 174.76 2duo s LYS 272 N 1.61 2.33 -0.24 2.03 1.02 0.14 0.07 119.74 126.71 2duo s LYS 272 Ca 0.01 -0.82 -0.12 0.00 0.02 0.00 0.00 55.97 55.06 2duo s LYS 272 Cb -0.13 -2.42 -0.05 0.00 -0.52 0.00 0.00 37.83 34.71 2duo s LYS 272 CO -0.05 -0.35 0.22 -1.17 -0.92 0.00 0.00 175.35 173.08 2duo s LEU 273 N 1.36 4.11 -0.14 3.17 1.98 -1.26 -0.93 118.68 126.98 2duo s LEU 273 Ca 0.01 0.20 -0.04 0.00 -2.89 0.00 0.00 54.13 51.41 2duo s LEU 273 Cb -0.15 -2.20 -0.03 0.00 0.66 0.00 0.00 46.19 44.46 2duo s LEU 273 CO -0.10 0.02 -0.01 -0.36 -1.89 0.00 0.00 176.35 174.01 2duo s PHE 274 N 1.19 3.08 0.04 5.38 0.40 0.20 0.13 117.98 128.41 2duo s PHE 274 Ca 0.10 -0.13 -0.30 0.00 -0.60 0.00 0.00 56.93 56.00 2duo s PHE 274 Cb -0.14 -1.94 -0.05 0.00 0.51 0.00 0.00 43.02 41.41 2duo s PHE 274 CO 0.06 0.10 1.08 -1.14 0.70 0.00 0.00 175.22 176.02 2duo s GLN 275 N 0.09 4.51 -0.11 0.44 0.74 0.59 -1.70 119.66 124.22 2duo s GLN 275 Ca 0.01 1.59 -0.14 0.00 0.05 0.00 0.00 55.36 56.86 2duo s GLN 275 Cb -0.13 -3.40 -0.05 0.00 1.10 0.00 0.00 33.01 30.53 2duo s GLN 275 CO 0.02 -0.12 0.35 -0.51 -0.55 0.00 0.00 175.29 174.48 2duo s LEU 276 N 0.91 4.32 -0.73 3.68 1.43 -0.54 -4.77 118.68 122.97 2duo s LEU 276 Ca 0.55 0.68 -0.22 0.00 -1.03 0.00 0.00 54.13 54.11 2duo s LEU 276 Cb -0.25 -2.47 0.08 0.00 0.03 0.00 0.00 46.19 43.58 2duo s LEU 276 CO 0.29 0.15 1.01 -0.04 0.23 0.00 0.00 176.35 178.00 2duo s MET 277 N 0.03 3.23 -0.04 1.70 -1.94 -1.26 -4.72 119.30 116.29 2duo s MET 277 Ca 0.20 -1.04 0.03 0.00 -1.71 0.00 0.00 55.69 53.17 2duo s MET 277 Cb -0.14 -4.41 0.01 0.00 2.01 0.00 0.00 34.83 32.30 2duo s MET 277 CO 0.07 -1.82 -0.11 0.08 -0.01 0.00 0.00 175.02 173.23 2duo s VAL 278 N 3.81 0.98 0.32 -6.03 1.01 -1.26 -5.13 120.40 114.10 2duo s VAL 278 Ca 0.25 -0.44 -0.28 0.00 0.00 0.00 0.00 61.98 61.51 2duo s VAL 278 Cb -0.14 -0.89 -0.10 0.00 0.00 0.00 0.00 36.38 35.26 2duo s VAL 278 CO 0.05 0.31 1.16 -0.70 0.00 0.00 0.00 175.10 175.92 2duo s GLU 279 N 0.39 4.46 0.01 2.72 2.12 -1.26 -5.05 118.70 122.09 2duo s GLU 279 Ca -0.08 1.90 0.03 0.00 0.36 0.00 0.00 54.97 57.19 2duo s GLU 279 Cb -0.12 -3.05 -0.01 0.00 0.26 0.00 0.00 34.13 31.21 2duo s GLU 279 CO 0.02 0.01 -0.11 -1.01 -0.54 0.00 0.00 175.26 173.64 2duo s HIS 280 N -1.22 0.93 -0.36 5.30 3.76 -1.26 -5.09 115.29 117.34 2duo s HIS 280 Ca 0.48 -0.26 0.06 0.00 -0.15 0.00 0.00 55.06 55.19 2duo s HIS 280 Cb -0.33 -0.57 0.44 0.00 1.11 0.00 0.00 32.58 33.22 2duo s HIS 280 CO 0.43 -0.01 1.15 0.25 -0.85 0.00 0.00 174.74 175.71 2duo n THR 281 N 2.37 2.40 0.00 1.30 -2.24 -1.26 -5.33 114.28 111.52 2duo n THR 281 Ca -0.16 -4.52 0.00 0.00 -2.27 0.00 0.00 64.05 57.09 2duo n THR 281 Cb 0.56 -1.13 0.00 0.00 -2.10 0.00 0.00 70.33 67.66 2duo n THR 281 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2duo n ILE 287 N -0.59 0.00 -2.89 2.28 2.08 -1.26 -5.32 119.36 113.67 2duo n ILE 287 Ca 0.40 0.00 -0.43 0.00 0.56 0.00 0.00 62.75 63.28 2duo n ILE 287 Cb 0.82 0.00 -0.04 0.00 -0.75 0.00 0.00 39.64 39.66 2duo n ILE 287 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2duo s ASP 288 N 0.00 6.31 0.48 4.38 -1.08 -1.26 -4.92 116.67 120.58 2duo s ASP 288 Ca 0.00 -0.48 0.32 0.00 -0.52 0.00 0.00 52.55 51.87 2duo s ASP 288 Cb 0.00 -2.41 1.44 0.00 -1.46 0.00 0.00 42.92 40.48 2duo s ASP 288 CO 0.00 -1.19 1.95 -0.50 0.52 0.00 0.00 175.17 175.95 2duo h TRP 289 N 9.28 0.00 0.00 -5.34 4.06 -1.99 -2.26 115.95 119.70 2duo h TRP 289 Ca -0.26 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.69 2duo h TRP 289 Cb 1.08 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.24 2duo h TRP 289 CO 0.89 0.00 0.00 0.25 -3.56 0.00 0.00 178.44 176.02 2duo n THR 290 N -2.79 0.32 0.33 1.49 -2.24 -1.26 -1.24 114.28 108.88 2duo n THR 290 Ca 0.00 -0.04 0.08 0.00 -2.27 0.00 0.00 64.05 61.82 2duo n THR 290 Cb 0.22 -0.61 0.13 0.00 -2.10 0.00 0.00 70.33 67.97 2duo n THR 290 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2duo n LYS 291 N -1.76 1.84 -1.88 -0.78 5.02 -0.85 -4.73 118.16 115.03 2duo n LYS 291 Ca 0.06 -1.79 -0.42 0.00 -2.02 0.00 0.00 58.31 54.14 2duo n LYS 291 Cb 0.34 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 2duo n LYS 291 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2duo s ILE 292 N -1.23 2.72 0.03 -0.18 1.01 -1.22 -4.96 121.20 117.36 2duo s ILE 292 Ca 0.25 0.36 -0.30 0.00 0.00 0.00 0.00 60.65 60.96 2duo s ILE 292 Cb 0.15 -3.23 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 2duo s ILE 292 CO 0.22 0.01 1.02 -1.61 0.00 0.00 0.00 174.94 174.58 2duo s GLU 293 N 1.97 4.56 0.14 2.79 2.02 -1.26 -3.85 118.70 125.06 2duo s GLU 293 Ca 0.74 1.49 -0.32 0.00 0.02 0.00 0.00 54.97 56.90 2duo s GLU 293 Cb -0.43 -3.42 -0.11 0.00 0.10 0.00 0.00 34.13 30.26 2duo s GLU 293 CO 0.32 -0.04 1.80 -2.30 0.02 0.00 0.00 175.26 175.06 2duo n PRO 294 N 3.70 2.75 -3.83 0.39 -0.02 -1.26 -4.65 135.00 132.08 2duo n PRO 294 Ca 0.06 1.00 -0.04 0.00 -2.02 0.00 0.00 63.50 62.50 2duo n PRO 294 Cb 0.50 -2.88 0.01 0.00 -0.02 0.00 0.00 33.50 31.11 2duo n PRO 294 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2duo s SER 295 N 2.30 -0.05 -0.04 2.55 1.04 -0.57 -4.28 113.70 114.64 2duo s SER 295 Ca 0.80 -0.63 0.02 0.00 0.48 0.00 0.00 55.95 56.62 2duo s SER 295 Cb -0.50 0.53 0.01 0.00 0.10 0.00 0.00 66.02 66.16 2duo s SER 295 CO 0.36 -1.02 -0.08 -0.69 0.98 0.00 0.00 173.24 172.79 2duo s VAL 296 N -2.55 0.75 -0.03 5.02 1.01 -1.26 -0.43 120.40 122.91 2duo s VAL 296 Ca 0.18 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.73 2duo s VAL 296 Cb -0.02 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2duo s VAL 296 CO 0.05 0.26 0.39 0.20 0.00 0.00 0.00 175.10 176.00 2duo s ASN 297 N 0.62 6.75 -0.13 3.32 0.01 0.15 -5.00 114.94 120.66 2duo s ASN 297 Ca -0.10 0.89 0.01 0.00 -0.71 0.00 0.00 52.86 52.95 2duo s ASN 297 Cb -0.13 -2.24 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2duo s ASN 297 CO 0.01 0.29 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.37 2duo s PHE 298 N -0.82 2.76 0.25 2.20 0.40 -1.26 -4.42 117.98 117.08 2duo s PHE 298 Ca 0.23 -0.82 -0.31 0.00 -0.60 0.00 0.00 56.93 55.43 2duo s PHE 298 Cb -0.16 -1.83 -0.12 0.00 0.51 0.00 0.00 43.02 41.42 2duo s PHE 298 CO 0.12 -0.32 1.62 -0.11 0.70 0.00 0.00 175.22 177.23 2duo n LEU 299 N 3.66 4.05 -4.78 -0.37 7.94 -1.26 -4.95 117.00 121.28 2duo n LEU 299 Ca -0.19 1.11 -0.34 0.00 -1.11 0.00 0.00 56.01 55.49 2duo n LEU 299 Cb 0.53 -1.56 0.00 0.00 0.53 0.00 0.00 43.42 42.91 2duo n LEU 299 CO 0.30 0.08 0.75 -0.54 -1.11 0.00 0.00 177.39 176.86 2duo s LYS 300 N 0.15 3.38 0.00 1.96 1.02 -1.26 -5.28 119.74 119.71 2duo s LYS 300 Ca 0.69 1.44 0.00 0.00 0.02 0.00 0.00 55.97 58.11 2duo s LYS 300 Cb -0.52 -2.02 0.00 0.00 -0.52 0.00 0.00 37.83 34.76 2duo s LYS 300 CO 0.43 -0.80 0.43 -1.13 -0.92 0.00 0.00 175.35 173.36