#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1d2h h ALA 42 N 0.00 -0.49 -0.61 2.41 0.00 -1.96 -0.67 119.26 117.94 1d2h h ALA 42 Ca 0.00 0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1d2h h ALA 42 Cb 0.00 1.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.88 1d2h h ALA 42 CO 0.00 -0.93 -0.50 0.93 0.00 0.00 0.00 179.25 178.75 1d2h h GLU 43 N -0.16 -0.17 -0.06 0.00 3.07 -1.98 0.11 114.58 115.38 1d2h h GLU 43 Ca 0.16 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1d2h h GLU 43 Cb 0.52 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.46 1d2h h GLU 43 CO -0.79 -0.12 -0.04 -0.92 -1.40 0.00 0.00 179.01 175.74 1d2h h TYR 44 N -0.18 -0.14 -1.00 4.33 3.20 -1.38 0.60 116.97 122.41 1d2h h TYR 44 Ca 0.10 0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.13 1d2h h TYR 44 Cb 0.44 0.07 -0.16 0.00 1.54 0.00 0.00 36.73 38.62 1d2h h TYR 44 CO -0.86 -0.03 -0.40 1.17 -1.64 0.00 0.00 178.16 176.40 1d2h n LYS 45 N -3.07 -0.25 0.09 1.82 4.81 -0.79 -0.66 118.16 120.12 1d2h n LYS 45 Ca -0.00 1.53 -0.13 0.00 -0.87 0.00 0.00 58.31 58.84 1d2h n LYS 45 Cb 0.02 -2.27 -0.08 0.00 0.02 0.00 0.00 35.03 32.72 1d2h n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1d2h h ALA 46 N 1.31 -0.92 -0.49 3.14 0.00 0.15 -2.44 119.26 120.01 1d2h h ALA 46 Ca 0.33 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1d2h h ALA 46 Cb 0.58 0.82 -0.07 0.00 0.00 0.00 0.00 17.79 19.12 1d2h h ALA 46 CO -0.99 -1.03 -0.41 2.35 0.00 0.00 0.00 179.25 179.18 1d2h h TRP 47 N -0.62 -1.28 0.00 0.00 7.01 0.24 -1.63 115.95 119.68 1d2h h TRP 47 Ca -0.01 0.07 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1d2h h TRP 47 Cb 0.62 0.62 0.00 0.00 -2.10 0.00 0.00 29.16 28.30 1d2h h TRP 47 CO -0.42 -0.31 0.00 -0.11 -2.79 0.00 0.00 178.44 174.81 1d2h n LEU 48 N -4.60 0.00 -0.05 0.65 7.94 -0.22 -1.97 117.00 118.76 1d2h n LEU 48 Ca -0.01 0.36 -0.01 0.00 -1.11 0.00 0.00 56.01 55.24 1d2h n LEU 48 Cb 0.21 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 1d2h n LEU 48 CO -0.05 0.00 0.32 0.18 -1.11 0.00 0.00 177.39 176.73 1d2h n LEU 49 N -0.68 -0.12 -0.70 -1.96 4.32 -0.94 0.10 117.00 117.03 1d2h n LEU 49 Ca 0.00 0.73 0.52 0.00 -0.02 0.00 0.00 56.01 57.24 1d2h n LEU 49 Cb 0.00 -0.29 0.80 0.00 -1.62 0.00 0.00 43.42 42.31 1d2h n LEU 49 CO 0.00 -0.43 1.45 0.61 -1.22 0.00 0.00 177.39 177.81 1d2h n GLY 50 N -1.03 -0.97 0.09 -0.72 0.00 -0.62 0.73 105.19 102.68 1d2h n GLY 50 Ca 0.00 0.68 -0.18 0.00 0.00 0.00 0.00 46.02 46.52 1d2h n GLY 50 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1d2h h LEU 51 N 0.00 0.13 -0.73 0.99 5.85 0.14 0.26 115.31 121.95 1d2h h LEU 51 Ca 0.92 -0.86 0.11 0.00 0.84 0.00 0.00 57.88 58.89 1d2h h LEU 51 Cb 3.70 -0.04 -0.08 0.00 0.37 0.00 0.00 40.66 44.61 1d2h h LEU 51 CO -0.01 1.27 0.34 0.25 -0.34 0.00 0.00 178.44 179.95 1d2h h LEU 52 N -0.80 0.42 -0.08 2.25 5.85 0.12 -1.54 115.31 121.54 1d2h h LEU 52 Ca -0.15 0.07 -0.18 0.00 0.84 0.00 0.00 57.88 58.47 1d2h h LEU 52 Cb 1.28 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 1d2h h LEU 52 CO -0.02 0.22 -0.85 0.08 -0.34 0.00 0.00 178.44 177.54 1d2h h ARG 53 N 0.56 0.00 0.00 1.25 0.11 -0.66 -0.57 114.38 115.08 1d2h h ARG 53 Ca 0.37 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.45 1d2h h ARG 53 Cb 0.44 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.52 1d2h h ARG 53 CO -0.31 0.85 0.00 0.94 0.10 0.00 0.00 179.97 181.55 1d2h n GLN 54 N -3.36 0.57 -0.00 0.08 7.27 0.08 -2.99 117.38 119.03 1d2h n GLN 54 Ca 0.00 0.02 -0.00 0.00 0.07 0.00 0.00 57.00 57.09 1d2h n GLN 54 Cb 0.86 -1.50 -0.00 0.00 2.41 0.00 0.00 30.24 32.01 1d2h n GLN 54 CO 0.00 0.00 0.00 0.72 0.07 0.00 0.00 177.06 177.85 1d2h n HIS 55 N -1.05 0.00 0.00 3.69 8.25 -1.01 -5.01 115.22 120.09 1d2h n HIS 55 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1d2h n HIS 55 Cb 0.08 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.17 1d2h n HIS 55 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1d2h n GLY 56 N 2.95 1.14 3.69 -1.41 0.00 -1.08 -5.07 105.19 105.40 1d2h n GLY 56 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1d2h n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h n HIS 58 N 5.09 0.00 -3.15 0.00 8.25 -1.26 -4.37 115.22 119.78 1d2h n HIS 58 Ca 0.11 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.17 1d2h n HIS 58 Cb 0.46 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.50 1d2h n HIS 58 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1d2h s ARG 59 N -1.46 4.14 0.03 -0.41 1.81 -1.26 -1.58 118.95 120.22 1d2h s ARG 59 Ca 0.00 0.51 0.04 0.00 -1.72 0.00 0.00 55.73 54.56 1d2h s ARG 59 Cb 0.00 -3.62 -0.02 0.00 -0.45 0.00 0.00 34.95 30.86 1d2h s ARG 59 CO 0.00 -0.32 -0.13 0.08 -0.68 0.00 0.00 175.30 174.25 1d2h s VAL 60 N 2.20 1.02 -0.16 3.52 1.01 -0.65 -0.32 120.40 127.01 1d2h s VAL 60 Ca 0.26 -0.88 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1d2h s VAL 60 Cb -0.16 -0.92 0.01 0.00 0.00 0.00 0.00 36.38 35.31 1d2h s VAL 60 CO 0.09 0.04 -0.18 -0.22 0.00 0.00 0.00 175.10 174.83 1d2h s LEU 61 N -0.96 2.30 -0.25 3.92 2.96 -0.64 -1.58 118.68 124.43 1d2h s LEU 61 Ca 0.01 -0.56 -0.14 0.00 -0.22 0.00 0.00 54.13 53.23 1d2h s LEU 61 Cb -0.07 -1.52 -0.04 0.00 0.50 0.00 0.00 46.19 45.06 1d2h s LEU 61 CO 0.01 0.05 0.31 -0.62 -1.32 0.00 0.00 176.35 174.77 1d2h s ASP 62 N 1.02 6.24 -0.35 3.68 -1.08 -0.83 -1.69 116.67 123.66 1d2h s ASP 62 Ca -0.02 0.27 0.07 0.00 -0.52 0.00 0.00 52.55 52.36 1d2h s ASP 62 Cb -0.15 -2.18 0.69 0.00 -1.46 0.00 0.00 42.92 39.82 1d2h s ASP 62 CO -0.05 -0.08 1.79 1.33 0.52 0.00 0.00 175.17 178.68 1d2h n VAL 63 N 4.72 2.90 -2.59 1.11 0.24 -1.02 -1.38 118.33 122.31 1d2h n VAL 63 Ca -0.11 -1.62 -0.02 0.00 -2.04 0.00 0.00 64.34 60.56 1d2h n VAL 63 Cb 0.51 -0.42 0.09 0.00 -1.47 0.00 0.00 33.84 32.55 1d2h n VAL 63 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1d2h n ALA 64 N -0.43 1.82 -0.56 2.33 0.00 -0.90 -4.81 120.51 117.95 1d2h n ALA 64 Ca 0.45 -0.76 0.44 0.00 0.00 0.00 0.00 53.44 53.57 1d2h n ALA 64 Cb 1.44 -0.72 0.68 0.00 0.00 0.00 0.00 19.45 20.84 1d2h n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1d2h n GLY 66 N -1.79 1.83 0.00 0.00 0.00 -1.26 0.19 105.19 104.16 1d2h n GLY 66 Ca 0.37 0.56 0.12 0.00 0.00 0.00 0.00 46.02 47.06 1d2h n GLY 66 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1d2h n THR 67 N 0.00 0.02 -0.23 2.61 -2.24 -1.26 -2.60 114.28 110.58 1d2h n THR 67 Ca 0.00 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1d2h n THR 67 Cb 0.00 0.34 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 1d2h n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1d2h n GLY 68 N 1.49 0.64 0.15 3.38 0.00 0.52 -3.19 105.19 108.18 1d2h n GLY 68 Ca 0.05 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.03 1d2h n GLY 68 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1d2h n VAL 69 N -2.00 -0.24 0.06 1.61 0.24 -1.26 0.60 118.33 117.34 1d2h n VAL 69 Ca 0.00 1.55 -0.14 0.00 -2.04 0.00 0.00 64.34 63.72 1d2h n VAL 69 Cb 0.00 -1.99 -0.04 0.00 -1.47 0.00 0.00 33.84 30.34 1d2h n VAL 69 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 1d2h h ASP 70 N 0.00 0.56 0.34 -1.34 3.45 -1.94 -3.01 116.42 114.47 1d2h h ASP 70 Ca 0.06 -0.44 -0.01 0.00 0.43 0.00 0.00 57.03 57.06 1d2h h ASP 70 Cb 0.14 -0.17 -0.00 0.00 -0.56 0.00 0.00 39.33 38.74 1d2h h ASP 70 CO -0.33 1.23 -0.20 0.28 -1.57 0.00 0.00 179.24 178.66 1d2h h SER 71 N 0.25 -0.49 -0.83 6.45 0.02 -1.76 -0.24 113.55 116.96 1d2h h SER 71 Ca -0.08 0.03 0.20 0.00 -0.84 0.00 0.00 61.79 61.10 1d2h h SER 71 Cb 1.56 0.14 -0.13 0.00 0.14 0.00 0.00 62.40 64.11 1d2h h SER 71 CO 0.16 -0.32 0.20 0.40 -1.14 0.00 0.00 176.83 176.13 1d2h h ILE 72 N -0.51 0.39 0.89 3.27 2.04 0.11 0.30 117.51 124.00 1d2h h ILE 72 Ca -0.04 -0.08 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1d2h h ILE 72 Cb 0.42 0.14 0.01 0.00 -0.74 0.00 0.00 36.82 36.64 1d2h h ILE 72 CO 0.04 0.04 -0.43 -0.03 0.00 0.00 0.00 178.15 177.78 1d2h h MET 73 N 0.23 -1.16 -1.03 2.37 1.85 -1.29 -2.42 114.93 113.47 1d2h h MET 73 Ca 0.50 0.08 0.26 0.00 -0.61 0.00 0.00 59.70 59.93 1d2h h MET 73 Cb 0.94 0.26 -0.10 0.00 0.43 0.00 0.00 31.60 33.13 1d2h h MET 73 CO -0.61 -0.77 0.65 -0.07 -0.40 0.00 0.00 176.91 175.71 1d2h h LEU 74 N -1.24 0.52 -1.92 3.39 3.38 0.51 0.99 115.31 120.92 1d2h h LEU 74 Ca -0.12 0.10 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1d2h h LEU 74 Cb 0.92 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1d2h h LEU 74 CO 0.20 0.09 -0.10 0.58 0.09 0.00 0.00 178.44 179.30 1d2h h VAL 75 N 0.45 0.46 0.00 1.22 2.07 -0.09 -1.82 116.25 118.54 1d2h h VAL 75 Ca 0.61 -0.51 -0.03 0.00 0.82 0.00 0.00 66.70 67.59 1d2h h VAL 75 Cb 1.43 1.35 -0.00 0.00 -1.52 0.00 0.00 31.29 32.55 1d2h h VAL 75 CO -0.35 0.10 -0.18 -0.33 0.02 0.00 0.00 177.57 176.83 1d2h h GLU 76 N 0.00 0.00 0.00 1.57 5.08 0.15 -3.29 114.58 118.08 1d2h h GLU 76 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1d2h h GLU 76 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1d2h h GLU 76 CO 0.01 0.79 0.00 0.39 -1.00 0.00 0.00 179.01 179.20 1d2h n GLU 77 N -4.62 0.08 -2.09 2.33 -0.58 -0.70 -4.72 120.64 110.33 1d2h n GLU 77 Ca -0.11 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.63 1d2h n GLU 77 Cb 0.41 -1.06 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1d2h n GLU 77 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1d2h n GLY 78 N -0.48 0.96 3.76 0.62 0.00 -1.19 -5.08 105.19 103.78 1d2h n GLY 78 Ca 0.00 -0.57 -0.27 0.00 0.00 0.00 0.00 46.02 45.18 1d2h n GLY 78 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1d2h s PHE 79 N -2.84 3.07 -1.04 1.61 0.40 -0.70 -5.04 117.98 113.45 1d2h s PHE 79 Ca 0.00 -0.04 -0.16 0.00 -0.60 0.00 0.00 56.93 56.13 1d2h s PHE 79 Cb 0.00 -1.49 0.15 0.00 0.51 0.00 0.00 43.02 42.19 1d2h s PHE 79 CO 0.00 0.52 1.23 0.45 0.70 0.00 0.00 175.22 178.12 1d2h s SER 80 N -2.95 6.82 -0.23 1.36 0.15 -0.61 -4.55 113.70 113.69 1d2h s SER 80 Ca 0.30 -2.47 -0.12 0.00 0.70 0.00 0.00 55.95 54.35 1d2h s SER 80 Cb -0.10 -2.39 -0.05 0.00 -1.71 0.00 0.00 66.02 61.77 1d2h s SER 80 CO 0.22 -0.90 0.24 0.54 1.20 0.00 0.00 173.24 174.53 1d2h s VAL 81 N 2.07 5.30 -0.33 4.45 0.11 -1.26 -1.63 120.40 129.10 1d2h s VAL 81 Ca 0.36 0.34 0.00 0.00 -2.93 0.00 0.00 61.98 59.75 1d2h s VAL 81 Cb -0.04 -3.57 0.08 0.00 -1.53 0.00 0.00 36.38 31.31 1d2h s VAL 81 CO -0.06 0.30 0.05 0.28 -3.33 0.00 0.00 175.10 172.35 1d2h s THR 82 N 1.24 2.76 -0.08 5.04 -1.32 -0.62 -2.02 115.64 120.65 1d2h s THR 82 Ca 0.11 -1.86 -0.05 0.00 -1.21 0.00 0.00 61.69 58.68 1d2h s THR 82 Cb -0.14 -2.79 -0.04 0.00 -1.51 0.00 0.00 72.50 68.02 1d2h s THR 82 CO 0.06 -0.39 0.13 -0.44 -2.21 0.00 0.00 174.62 171.77 1d2h s SER 83 N 1.30 6.19 0.03 8.08 0.01 -0.47 -1.96 113.70 126.88 1d2h s SER 83 Ca 0.02 0.38 -0.02 0.00 1.31 0.00 0.00 55.95 57.64 1d2h s SER 83 Cb -0.20 -1.95 -0.02 0.00 0.21 0.00 0.00 66.02 64.06 1d2h s SER 83 CO -0.04 0.36 0.00 0.68 0.41 0.00 0.00 173.24 174.66 1d2h s VAL 84 N -1.09 0.14 0.07 3.43 -7.23 -0.48 -1.08 120.40 114.17 1d2h s VAL 84 Ca 0.18 -1.13 -0.20 0.00 -1.81 0.00 0.00 61.98 59.01 1d2h s VAL 84 Cb -0.12 -0.67 0.05 0.00 0.56 0.00 0.00 36.38 36.20 1d2h s VAL 84 CO 0.08 -0.62 0.49 -0.62 -0.31 0.00 0.00 175.10 174.11 1d2h s ASP 85 N -1.91 -0.39 0.17 4.85 2.15 -0.74 -0.85 116.67 119.96 1d2h s ASP 85 Ca -0.09 0.03 0.23 0.00 0.43 0.00 0.00 52.55 53.16 1d2h s ASP 85 Cb -0.04 0.49 0.16 0.00 -0.30 0.00 0.00 42.92 43.23 1d2h s ASP 85 CO -0.03 -0.76 1.18 0.00 -0.17 0.00 0.00 175.17 175.39 1d2h h ALA 86 N 2.66 0.54 -2.66 3.66 0.00 -1.67 -1.16 119.26 120.64 1d2h h ALA 86 Ca -0.32 0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.87 1d2h h ALA 86 Cb 1.23 0.00 -0.24 0.00 0.00 0.00 0.00 17.79 18.78 1d2h h ALA 86 CO 0.42 0.00 -0.46 0.45 0.00 0.00 0.00 179.25 179.66 1d2h s SER 87 N -4.80 5.87 0.13 0.00 0.15 -1.26 -4.77 113.70 109.02 1d2h s SER 87 Ca 0.03 -1.11 -0.24 0.00 0.70 0.00 0.00 55.95 55.33 1d2h s SER 87 Cb 0.11 -2.07 -0.04 0.00 -1.71 0.00 0.00 66.02 62.31 1d2h s SER 87 CO 0.76 -0.47 1.65 0.44 1.20 0.00 0.00 173.24 176.82 1d2h h ASP 88 N 8.53 -0.63 -0.52 5.45 3.32 -1.97 -0.42 116.42 130.18 1d2h h ASP 88 Ca -0.26 0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.05 1d2h h ASP 88 Cb 1.10 0.27 -0.10 0.00 0.22 0.00 0.00 39.33 40.83 1d2h h ASP 88 CO 0.73 -0.27 0.09 1.17 -1.72 0.00 0.00 179.24 179.24 1d2h n LYS 89 N -5.34 -0.04 -0.06 3.56 4.81 -1.26 0.13 118.16 119.96 1d2h n LYS 89 Ca -0.04 0.77 -0.03 0.00 -0.87 0.00 0.00 58.31 58.14 1d2h n LYS 89 Cb 0.25 -1.26 -0.01 0.00 0.02 0.00 0.00 35.03 34.03 1d2h n LYS 89 CO 0.00 0.00 0.00 0.52 1.17 0.00 0.00 177.40 179.09 1d2h h MET 90 N 0.00 0.00 -0.92 1.64 0.00 -1.61 -3.38 114.93 110.67 1d2h h MET 90 Ca 0.35 0.00 0.19 0.00 0.00 0.00 0.00 59.70 60.24 1d2h h MET 90 Cb 0.80 0.00 -0.17 0.00 0.00 0.00 0.00 31.60 32.22 1d2h h MET 90 CO -0.47 0.04 -0.20 1.25 0.00 0.00 0.00 176.91 177.53 1d2h h LEU 91 N -1.00 -0.80 -0.96 1.22 5.85 0.14 0.36 115.31 120.12 1d2h h LEU 91 Ca -0.01 0.27 0.29 0.00 0.84 0.00 0.00 57.88 59.28 1d2h h LEU 91 Cb 0.26 0.55 -0.15 0.00 0.37 0.00 0.00 40.66 41.70 1d2h h LEU 91 CO -0.00 -0.30 0.46 0.50 -0.34 0.00 0.00 178.44 178.75 1d2h h LYS 92 N 0.00 0.28 -0.14 1.25 3.64 0.89 0.29 116.57 122.79 1d2h h LYS 92 Ca 0.46 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.79 1d2h h LYS 92 Cb 0.73 -0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.48 1d2h h LYS 92 CO -0.93 0.19 -0.01 1.88 -2.27 0.00 0.00 179.45 178.31 1d2h h TYR 93 N 0.29 0.27 -0.13 1.91 0.05 -0.44 -0.54 116.97 118.39 1d2h h TYR 93 Ca 0.67 -0.05 0.04 0.00 0.05 0.00 0.00 58.73 59.44 1d2h h TYR 93 Cb 1.48 -0.07 -0.04 0.00 1.01 0.00 0.00 36.73 39.11 1d2h h TYR 93 CO -0.10 0.49 -0.11 0.00 -1.05 0.00 0.00 178.16 177.39 1d2h h ALA 94 N 0.75 -0.02 -0.91 3.88 0.00 -0.59 0.28 119.26 122.66 1d2h h ALA 94 Ca 0.04 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.23 1d2h h ALA 94 Cb 0.38 0.24 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1d2h h ALA 94 CO 0.01 -0.56 0.62 1.25 0.00 0.00 0.00 179.25 180.57 1d2h h LEU 95 N -0.13 0.23 0.00 0.00 5.85 -0.39 -2.55 115.31 118.31 1d2h h LEU 95 Ca 0.08 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1d2h h LEU 95 Cb 0.25 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.27 1d2h h LEU 95 CO -0.20 0.08 0.00 1.17 -0.34 0.00 0.00 178.44 179.15 1d2h n LYS 96 N -4.41 0.00 -0.30 1.25 4.81 0.96 -2.62 118.16 117.85 1d2h n LYS 96 Ca 0.19 0.48 0.09 0.00 -0.87 0.00 0.00 58.31 58.21 1d2h n LYS 96 Cb 0.83 -1.44 0.19 0.00 0.02 0.00 0.00 35.03 34.63 1d2h n LYS 96 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1d2h n GLU 97 N -1.90 -0.07 0.15 1.64 -0.58 -0.98 -1.18 120.64 117.71 1d2h n GLU 97 Ca 0.00 1.32 -0.14 0.00 -0.42 0.00 0.00 57.16 57.92 1d2h n GLU 97 Cb 0.00 -2.04 -0.08 0.00 -0.57 0.00 0.00 31.44 28.75 1d2h n GLU 97 CO 0.00 0.00 0.00 -0.09 -0.48 0.00 0.00 177.13 176.56 1d2h h ARG 98 N 0.00 -0.66 -0.87 3.49 2.43 -1.45 0.44 114.38 117.76 1d2h h ARG 98 Ca 0.47 0.04 0.20 0.00 -0.81 0.00 0.00 59.98 59.89 1d2h h ARG 98 Cb 0.87 0.15 -0.16 0.00 -0.42 0.00 0.00 29.97 30.41 1d2h h ARG 98 CO -0.85 -0.44 -0.09 2.35 -1.51 0.00 0.00 179.97 179.43 1d2h h TRP 99 N -0.68 -0.24 0.61 2.20 2.91 -0.89 1.00 115.95 120.85 1d2h h TRP 99 Ca -0.02 0.07 -0.03 0.00 1.13 0.00 0.00 58.89 60.04 1d2h h TRP 99 Cb 0.64 0.24 0.01 0.00 -0.51 0.00 0.00 29.16 29.54 1d2h h TRP 99 CO -0.34 -0.35 -0.29 -0.91 -1.03 0.00 0.00 178.44 175.52 1d2h h ASN 100 N 0.03 -0.69 0.00 2.65 2.35 -1.23 -2.09 115.58 116.60 1d2h h ASN 100 Ca 0.46 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 56.24 1d2h h ASN 100 Cb 0.81 0.18 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1d2h h ASN 100 CO -0.84 -0.45 0.00 0.54 -1.65 0.00 0.00 177.43 175.03 1d2h n ARG 101 N -4.44 0.58 0.18 0.81 1.74 0.15 -3.44 116.66 112.24 1d2h n ARG 101 Ca -0.10 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.11 1d2h n ARG 101 Cb 0.32 -1.22 0.33 0.00 -1.02 0.00 0.00 32.46 30.87 1d2h n ARG 101 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 1d2h h ARG 102 N 0.81 0.00 -1.94 5.56 0.11 0.17 -3.27 114.38 115.82 1d2h h ARG 102 Ca 0.00 0.00 -0.41 0.00 0.10 0.00 0.00 59.98 59.67 1d2h h ARG 102 Cb 0.56 0.00 -0.15 0.00 1.11 0.00 0.00 29.97 31.49 1d2h h ARG 102 CO 0.00 0.00 0.24 1.63 0.10 0.00 0.00 179.97 181.94 1d2h n LYS 103 N -2.75 2.22 -3.29 0.08 4.76 -1.22 -4.60 118.16 113.35 1d2h n LYS 103 Ca 0.04 -1.94 0.02 0.00 -2.87 0.00 0.00 58.31 53.55 1d2h n LYS 103 Cb 0.45 -2.03 -0.02 0.00 -1.84 0.00 0.00 35.03 31.59 1d2h n LYS 103 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 1d2h s GLU 104 N -1.17 0.55 0.29 1.97 2.02 -1.23 -5.05 118.70 116.08 1d2h s GLU 104 Ca 0.56 1.09 0.07 0.00 0.02 0.00 0.00 54.97 56.71 1d2h s GLU 104 Cb 0.35 0.57 0.82 0.00 0.10 0.00 0.00 34.13 35.97 1d2h s GLU 104 CO -0.15 -0.51 1.37 -2.30 0.02 0.00 0.00 175.26 173.69 1d2h n PRO 105 N 5.43 -0.06 -0.04 0.39 -0.01 -1.26 0.03 135.00 139.47 1d2h n PRO 105 Ca -0.04 1.28 -0.08 0.00 -0.01 0.00 0.00 63.50 64.65 1d2h n PRO 105 Cb 0.50 -2.11 -0.02 0.00 -0.01 0.00 0.00 33.50 31.87 1d2h n PRO 105 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1d2h h ALA 106 N 1.75 -0.09 0.00 3.55 0.00 -1.92 -1.89 119.26 120.65 1d2h h ALA 106 Ca 0.59 0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1d2h h ALA 106 Cb 1.36 0.46 0.00 0.00 0.00 0.00 0.00 17.79 19.60 1d2h h ALA 106 CO -0.78 -0.64 0.00 0.74 0.00 0.00 0.00 179.25 178.57 1d2h h PHE 107 N -0.23 0.00 0.00 0.00 -1.00 -0.60 -2.57 116.94 112.55 1d2h h PHE 107 Ca 0.13 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.91 1d2h h PHE 107 Cb 0.43 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.99 1d2h h PHE 107 CO -0.37 0.00 -0.19 0.22 -1.61 0.00 0.00 178.31 176.36 1d2h h ASP 108 N 0.00 0.00 -2.16 2.17 -0.00 -0.64 -3.29 116.42 112.50 1d2h h ASP 108 Ca 0.00 -0.03 -0.73 0.00 -0.00 0.00 0.00 57.03 56.27 1d2h h ASP 108 Cb 0.58 0.00 -0.32 0.00 -0.00 0.00 0.00 39.33 39.59 1d2h h ASP 108 CO 0.00 0.01 0.47 0.29 -0.00 0.00 0.00 179.24 180.02 1d2h n LYS 109 N -2.63 4.29 -3.84 0.28 4.01 -0.81 -4.95 118.16 114.51 1d2h n LYS 109 Ca 0.04 -4.52 -0.13 0.00 -0.51 0.00 0.00 58.31 53.19 1d2h n LYS 109 Cb 0.49 -2.36 -0.14 0.00 -0.51 0.00 0.00 35.03 32.50 1d2h n LYS 109 CO 0.00 0.00 0.00 -0.46 -1.11 0.00 0.00 177.40 175.83 1d2h s TRP 110 N -4.01 -0.01 0.34 2.13 -0.00 -1.24 -4.48 118.94 111.66 1d2h s TRP 110 Ca 0.44 0.09 0.08 0.00 -0.00 0.00 0.00 56.10 56.71 1d2h s TRP 110 Cb 0.27 -0.06 -0.04 0.00 -0.00 0.00 0.00 33.47 33.64 1d2h s TRP 110 CO -0.18 -0.04 0.17 0.08 -0.00 0.00 0.00 176.95 176.97 1d2h s VAL 111 N 0.33 3.10 -0.35 5.86 1.01 -0.85 -4.99 120.40 124.49 1d2h s VAL 111 Ca -0.03 -1.65 0.05 0.00 0.00 0.00 0.00 61.98 60.36 1d2h s VAL 111 Cb -0.04 -3.01 0.19 0.00 0.00 0.00 0.00 36.38 33.52 1d2h s VAL 111 CO -0.01 -0.18 0.67 -0.63 0.00 0.00 0.00 175.10 174.95 1d2h s ILE 112 N -2.41 -0.90 0.09 2.22 1.01 -1.00 -1.37 121.20 118.85 1d2h s ILE 112 Ca 0.38 0.00 0.10 0.00 0.00 0.00 0.00 60.65 61.13 1d2h s ILE 112 Cb -0.03 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 42.02 1d2h s ILE 112 CO 0.23 0.00 -0.24 -1.61 0.00 0.00 0.00 174.94 173.32 1d2h s GLU 113 N 2.29 1.68 0.63 2.79 8.01 -0.24 -4.95 118.70 128.91 1d2h s GLU 113 Ca 0.14 -1.20 -0.13 0.00 0.01 0.00 0.00 54.97 53.79 1d2h s GLU 113 Cb -0.06 -2.00 -0.02 0.00 -4.31 0.00 0.00 34.13 27.75 1d2h s GLU 113 CO -0.16 0.49 1.05 -1.21 0.01 0.00 0.00 175.26 175.44 1d2h s GLU 114 N -1.71 3.21 0.00 1.61 2.02 -1.24 -1.78 118.70 120.81 1d2h s GLU 114 Ca 0.14 1.05 0.00 0.00 0.02 0.00 0.00 54.97 56.18 1d2h s GLU 114 Cb -0.10 -2.02 0.00 0.00 0.10 0.00 0.00 34.13 32.10 1d2h s GLU 114 CO 0.05 -0.88 0.00 0.00 0.02 0.00 0.00 175.26 174.45 1d2h n ALA 115 N -2.52 0.00 -3.37 5.21 0.00 -0.44 -4.75 120.51 114.64 1d2h n ALA 115 Ca 0.08 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.32 1d2h n ALA 115 Cb 0.53 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.82 1d2h n ALA 115 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1d2h s ASN 116 N 0.00 0.97 0.64 0.00 3.84 -1.26 -1.78 114.94 117.35 1d2h s ASN 116 Ca 0.00 -0.14 0.31 0.00 0.21 0.00 0.00 52.86 53.23 1d2h s ASN 116 Cb 0.00 -0.38 1.66 0.00 -0.55 0.00 0.00 41.25 41.98 1d2h s ASN 116 CO 0.00 -0.01 1.93 -0.50 -2.79 0.00 0.00 177.10 175.74 1d2h h TRP 117 N 6.82 0.00 0.00 0.43 6.55 -1.92 0.49 115.95 128.31 1d2h h TRP 117 Ca -0.36 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.48 1d2h h TRP 117 Cb 1.16 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.46 1d2h h TRP 117 CO 0.47 0.00 0.00 1.28 -1.05 0.00 0.00 178.44 179.14 1d2h n LEU 118 N -2.85 0.00 -0.69 -4.49 4.32 -1.26 -3.42 117.00 108.60 1d2h n LEU 118 Ca -0.02 0.41 -0.02 0.00 -0.02 0.00 0.00 56.01 56.35 1d2h n LEU 118 Cb 0.34 -0.41 -0.02 0.00 -1.62 0.00 0.00 43.42 41.71 1d2h n LEU 118 CO 0.14 -0.19 0.28 0.35 -1.22 0.00 0.00 177.39 176.75 1d2h n THR 119 N -1.41 0.00 -0.28 -5.08 -2.24 0.13 -4.94 114.28 100.47 1d2h n THR 119 Ca 0.06 -0.03 0.27 0.00 -2.27 0.00 0.00 64.05 62.08 1d2h n THR 119 Cb 0.16 0.22 0.51 0.00 -2.10 0.00 0.00 70.33 69.12 1d2h n THR 119 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1d2h n LEU 120 N 0.02 0.30 0.36 3.22 7.94 0.89 -0.20 117.00 129.52 1d2h n LEU 120 Ca -0.09 1.43 -0.17 0.00 -1.11 0.00 0.00 56.01 56.07 1d2h n LEU 120 Cb 0.60 -0.70 -0.08 0.00 0.53 0.00 0.00 43.42 43.76 1d2h n LEU 120 CO -0.05 -1.60 0.54 -2.24 -1.11 0.00 0.00 177.39 172.93 1d2h h ASP 121 N 0.00 -0.78 -0.99 1.96 -0.00 -1.84 0.47 116.42 115.24 1d2h h ASP 121 Ca 0.73 -0.00 0.26 0.00 -0.00 0.00 0.00 57.03 58.02 1d2h h ASP 121 Cb 1.93 0.20 -0.07 0.00 -0.00 0.00 0.00 39.33 41.40 1d2h h ASP 121 CO -0.67 -0.48 0.67 0.11 -0.00 0.00 0.00 179.24 178.88 1d2h h LYS 122 N -1.05 0.25 0.00 4.15 6.56 -0.99 -1.89 116.57 123.59 1d2h h LYS 122 Ca -0.09 -0.01 -0.15 0.00 -1.06 0.00 0.00 60.65 59.33 1d2h h LYS 122 Cb 0.73 -0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.31 1d2h h LYS 122 CO 0.15 0.16 -1.63 -0.25 -2.06 0.00 0.00 179.45 175.82 1d2h n ASP 123 N -4.45 0.57 -4.01 0.86 9.92 -0.83 -4.88 116.55 113.72 1d2h n ASP 123 Ca 0.22 0.24 -0.30 0.00 -0.53 0.00 0.00 54.79 54.43 1d2h n ASP 123 Cb 0.90 0.66 -0.16 0.00 -0.64 0.00 0.00 41.12 41.87 1d2h n ASP 123 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1d2h s VAL 124 N -3.01 1.54 -0.63 2.53 1.01 0.16 -4.99 120.40 117.00 1d2h s VAL 124 Ca -0.05 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.05 1d2h s VAL 124 Cb 0.09 -1.45 0.00 0.00 0.00 0.00 0.00 36.38 35.02 1d2h s VAL 124 CO 0.83 0.45 1.59 -2.84 0.00 0.00 0.00 175.10 175.13 1d2h s PRO 125 N 1.50 2.95 0.38 2.72 0.02 -1.26 -4.52 135.00 136.79 1d2h s PRO 125 Ca 0.05 0.34 0.05 0.00 0.02 0.00 0.00 61.00 61.45 1d2h s PRO 125 Cb -0.13 -4.27 0.75 0.00 0.02 0.00 0.00 34.50 30.88 1d2h s PRO 125 CO -0.11 -2.37 2.04 0.00 -0.33 0.00 0.00 177.00 176.23 1d2h h ALA 126 N 12.61 1.63 -0.35 -1.55 0.00 -1.93 -3.47 119.26 126.21 1d2h h ALA 126 Ca -0.27 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1d2h h ALA 126 Cb 1.11 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1d2h h ALA 126 CO 1.22 0.34 0.00 0.41 0.00 0.00 0.00 179.25 181.22 1d2h n GLY 127 N -1.46 2.43 0.00 0.00 0.00 -1.26 -2.05 105.19 102.86 1d2h n GLY 127 Ca 0.05 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.98 1d2h n GLY 127 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1d2h n ASP 128 N 9.66 1.06 0.00 1.61 10.43 -1.26 -5.05 116.55 133.00 1d2h n ASP 128 Ca 0.00 -0.33 0.00 0.00 2.57 0.00 0.00 54.79 57.03 1d2h n ASP 128 Cb 0.00 1.47 0.00 0.00 1.84 0.00 0.00 41.12 44.43 1d2h n ASP 128 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1d2h n GLY 129 N 1.50 2.69 3.44 0.44 0.00 -0.87 -4.50 105.19 107.89 1d2h n GLY 129 Ca -0.01 -0.79 -0.37 0.00 0.00 0.00 0.00 46.02 44.86 1d2h n GLY 129 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1d2h n PHE 130 N 0.00 -0.98 0.29 1.61 3.01 -0.28 -3.55 117.46 117.56 1d2h n PHE 130 Ca 0.00 0.36 -0.16 0.00 1.01 0.00 0.00 57.45 58.66 1d2h n PHE 130 Cb 0.00 -1.90 -0.08 0.00 -0.01 0.00 0.00 39.48 37.49 1d2h n PHE 130 CO 0.00 0.00 0.00 -0.44 1.01 0.00 0.00 176.76 177.33 1d2h h ASP 131 N -0.26 -0.61 -4.11 4.37 3.45 -1.00 -1.43 116.42 116.83 1d2h h ASP 131 Ca -0.45 -0.02 -0.45 0.00 0.43 0.00 0.00 57.03 56.54 1d2h h ASP 131 Cb 1.36 0.16 -0.29 0.00 -0.56 0.00 0.00 39.33 40.00 1d2h h ASP 131 CO 0.43 -0.37 -0.80 0.00 -1.57 0.00 0.00 179.24 176.93 1d2h s ALA 132 N -5.74 1.01 -0.27 3.45 0.00 -0.67 -2.32 121.76 117.23 1d2h s ALA 132 Ca -0.16 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.25 1d2h s ALA 132 Cb 0.03 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1d2h s ALA 132 CO 0.59 0.24 -0.01 0.08 0.00 0.00 0.00 175.76 176.67 1d2h s VAL 133 N -0.23 3.22 -0.10 0.00 1.01 -0.82 -1.62 120.40 121.85 1d2h s VAL 133 Ca 0.04 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.03 1d2h s VAL 133 Cb -0.05 -2.68 -0.03 0.00 0.00 0.00 0.00 36.38 33.63 1d2h s VAL 133 CO -0.00 0.11 -0.08 0.27 0.00 0.00 0.00 175.10 175.40 1d2h s ILE 134 N 1.37 3.52 -0.35 2.22 -4.36 -0.68 -1.49 121.20 121.42 1d2h s ILE 134 Ca 0.00 -0.52 0.14 0.00 -0.26 0.00 0.00 60.65 60.01 1d2h s ILE 134 Cb -0.17 -2.47 0.40 0.00 1.25 0.00 0.00 42.46 41.47 1d2h s ILE 134 CO -0.02 0.56 0.84 0.00 0.24 0.00 0.00 174.94 176.56 1d2h s LEU 136 N -2.73 3.32 0.00 0.00 2.01 -0.99 -2.24 118.68 118.05 1d2h s LEU 136 Ca 0.34 0.97 0.00 0.00 0.01 0.00 0.00 54.13 55.45 1d2h s LEU 136 Cb 0.40 -3.88 0.00 0.00 0.01 0.00 0.00 46.19 42.72 1d2h s LEU 136 CO -0.03 -0.90 0.00 0.61 1.01 0.00 0.00 176.35 177.04 1d2h n GLY 137 N -2.56 1.69 2.16 -3.19 0.00 -1.26 -4.32 105.19 97.70 1d2h n GLY 137 Ca 0.04 -0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1d2h n GLY 137 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1d2h n ASN 138 N 0.36 -2.55 -0.31 1.61 5.15 -1.13 -4.81 115.26 113.58 1d2h n ASN 138 Ca 0.00 0.27 0.03 0.00 -0.60 0.00 0.00 54.58 54.28 1d2h n ASN 138 Cb 0.09 -2.33 0.18 0.00 -0.53 0.00 0.00 39.78 37.18 1d2h n ASN 138 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1d2h h SER 139 N 0.00 0.76 0.19 1.20 0.02 -1.75 -2.16 113.55 111.81 1d2h h SER 139 Ca -0.17 0.04 -0.00 0.00 -0.84 0.00 0.00 61.79 60.82 1d2h h SER 139 Cb 0.92 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.35 1d2h h SER 139 CO 0.22 0.43 -0.01 0.15 -1.14 0.00 0.00 176.83 176.48 1d2h h PHE 140 N 0.87 0.00 0.00 3.45 3.57 -1.83 -2.11 116.94 120.89 1d2h h PHE 140 Ca 0.42 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.92 1d2h h PHE 140 Cb 0.36 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.10 1d2h h PHE 140 CO -0.04 0.01 0.00 0.00 -2.23 0.00 0.00 178.31 176.05 1d2h n ALA 141 N -2.15 2.27 0.08 2.41 0.00 -0.81 -2.41 120.51 119.91 1d2h n ALA 141 Ca -0.02 -0.08 0.11 0.00 0.00 0.00 0.00 53.44 53.45 1d2h n ALA 141 Cb 0.13 -1.21 -0.03 0.00 0.00 0.00 0.00 19.45 18.34 1d2h n ALA 141 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1d2h n HIS 142 N -0.79 0.82 -2.31 0.00 8.25 -0.79 -0.04 115.22 120.36 1d2h n HIS 142 Ca 0.09 0.24 -0.39 0.00 -0.26 0.00 0.00 57.72 57.40 1d2h n HIS 142 Cb 0.04 -0.90 -0.03 0.00 1.12 0.00 0.00 29.99 30.23 1d2h n HIS 142 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1d2h s LEU 143 N -5.25 3.23 0.18 2.41 2.96 -1.01 -4.88 118.68 116.32 1d2h s LEU 143 Ca -0.02 -0.14 -0.30 0.00 -0.22 0.00 0.00 54.13 53.45 1d2h s LEU 143 Cb 0.10 -2.55 -0.08 0.00 0.50 0.00 0.00 46.19 44.17 1d2h s LEU 143 CO 0.81 -2.10 1.10 -2.16 -1.32 0.00 0.00 176.35 172.68 1d2h s PRO 144 N 6.34 4.59 -0.99 0.98 0.04 -1.26 -4.73 135.00 139.97 1d2h s PRO 144 Ca 0.51 1.72 -0.23 0.00 0.04 0.00 0.00 61.00 63.03 1d2h s PRO 144 Cb -0.10 -3.28 0.01 0.00 0.04 0.00 0.00 34.50 31.18 1d2h s PRO 144 CO 0.16 0.08 1.66 0.34 0.04 0.00 0.00 177.00 179.27 1d2h s ASP 145 N -0.11 5.97 0.04 6.66 3.68 -1.26 -4.83 116.67 126.81 1d2h s ASP 145 Ca 0.49 -1.20 -0.26 0.00 2.13 0.00 0.00 52.55 53.71 1d2h s ASP 145 Cb -0.29 -2.57 -0.17 0.00 -1.45 0.00 0.00 42.92 38.44 1d2h s ASP 145 CO 0.35 -2.00 1.45 0.28 0.13 0.00 0.00 175.17 175.38 1d2h h SER 146 N 10.27 -0.25 0.00 -0.34 0.02 -1.92 -3.21 113.55 118.13 1d2h h SER 146 Ca 0.17 -0.15 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 1d2h h SER 146 Cb 1.00 0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.61 1d2h h SER 146 CO 1.34 0.01 0.00 1.17 -1.14 0.00 0.00 176.83 178.21 1d2h n LYS 147 N -5.12 0.58 0.00 3.45 4.81 -1.26 -4.87 118.16 115.75 1d2h n LYS 147 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 1d2h n LYS 147 Cb 0.21 -1.50 0.00 0.00 0.02 0.00 0.00 35.03 33.76 1d2h n LYS 147 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1d2h n GLY 148 N 0.17 1.71 3.76 3.14 0.00 -1.22 -4.93 105.19 107.82 1d2h n GLY 148 Ca 0.14 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 1d2h n GLY 148 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1d2h s ASP 149 N 0.00 7.58 0.00 1.61 3.84 -1.26 -4.87 116.67 123.56 1d2h s ASP 149 Ca 0.00 1.86 0.00 0.00 -0.00 0.00 0.00 52.55 54.41 1d2h s ASP 149 Cb 0.00 -2.58 0.00 0.00 -1.38 0.00 0.00 42.92 38.96 1d2h s ASP 149 CO 0.00 0.17 0.64 1.67 -0.00 0.00 0.00 175.17 177.65 1d2h n GLN 150 N 1.54 0.51 -0.16 2.11 7.27 -1.26 -3.71 117.38 123.69 1d2h n GLN 150 Ca -0.03 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 57.03 1d2h n GLN 150 Cb 0.47 -1.24 0.24 0.00 2.41 0.00 0.00 30.24 32.12 1d2h n GLN 150 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1d2h h SER 151 N 1.33 0.79 -0.75 1.69 4.64 -1.95 -2.39 113.55 116.91 1d2h h SER 151 Ca 0.00 -0.07 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1d2h h SER 151 Cb 0.51 -0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.37 1d2h h SER 151 CO 0.00 0.66 0.40 -0.33 -0.87 0.00 0.00 176.83 176.68 1d2h h GLU 152 N 0.88 1.05 -0.32 4.77 4.39 -1.95 -2.71 114.58 120.70 1d2h h GLU 152 Ca 0.22 -0.13 -0.17 0.00 0.34 0.00 0.00 59.36 59.62 1d2h h GLU 152 Cb 0.06 -0.20 -0.00 0.00 -0.10 0.00 0.00 28.75 28.51 1d2h h GLU 152 CO -0.03 0.79 -0.48 0.45 -1.16 0.00 0.00 179.01 178.58 1d2h h HIS 153 N 1.04 1.10 0.78 4.33 3.86 -1.76 -2.13 115.15 122.37 1d2h h HIS 153 Ca 0.26 -0.37 -0.04 0.00 -1.16 0.00 0.00 60.37 59.06 1d2h h HIS 153 Cb 0.06 -0.22 0.01 0.00 1.06 0.00 0.00 27.41 28.32 1d2h h HIS 153 CO 0.00 1.20 -0.37 0.00 0.86 0.00 0.00 177.93 179.62 1d2h h ARG 154 N 0.69 -1.01 -0.48 2.45 3.08 -1.42 -2.30 114.38 115.40 1d2h h ARG 154 Ca 0.03 0.07 0.09 0.00 0.07 0.00 0.00 59.98 60.24 1d2h h ARG 154 Cb 1.08 0.23 -0.10 0.00 0.08 0.00 0.00 29.97 31.26 1d2h h ARG 154 CO 0.11 -0.66 -0.35 1.25 -1.07 0.00 0.00 179.97 179.25 1d2h h LEU 155 N -1.12 -1.19 -0.10 3.04 5.85 -1.54 0.45 115.31 120.70 1d2h h LEU 155 Ca -0.11 0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.85 1d2h h LEU 155 Cb 0.81 0.56 -0.05 0.00 0.37 0.00 0.00 40.66 42.35 1d2h h LEU 155 CO 0.18 -0.32 -0.46 0.00 -0.34 0.00 0.00 178.44 177.49 1d2h h ALA 156 N 0.78 -0.84 -0.45 1.25 0.00 -1.34 -1.55 119.26 117.11 1d2h h ALA 156 Ca 0.19 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1d2h h ALA 156 Cb 0.55 0.94 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1d2h h ALA 156 CO -0.61 -1.00 0.18 -0.07 0.00 0.00 0.00 179.25 177.75 1d2h h LEU 157 N -0.51 0.21 -0.68 0.00 -0.00 -0.81 -0.86 115.31 112.65 1d2h h LEU 157 Ca 0.02 0.05 0.08 0.00 -0.00 0.00 0.00 57.88 58.03 1d2h h LEU 157 Cb 0.58 0.02 -0.10 0.00 -0.00 0.00 0.00 40.66 41.16 1d2h h LEU 157 CO -0.36 0.15 -0.54 0.50 -0.00 0.00 0.00 178.44 178.20 1d2h h LYS 158 N 0.36 -0.20 -0.43 1.13 3.64 0.63 0.24 116.57 121.94 1d2h h LYS 158 Ca 0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1d2h h LYS 158 Cb 0.18 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.03 1d2h h LYS 158 CO -0.20 -0.13 0.24 -0.91 -2.27 0.00 0.00 179.45 176.18 1d2h h ASN 159 N -0.21 0.54 0.36 4.20 -0.26 -0.89 -1.39 115.58 117.93 1d2h h ASN 159 Ca 0.14 -0.09 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 1d2h h ASN 159 Cb 0.53 -0.14 -0.01 0.00 -1.06 0.00 0.00 38.32 37.64 1d2h h ASN 159 CO -0.76 0.47 -0.32 0.40 -1.06 0.00 0.00 177.43 176.16 1d2h h ILE 160 N 0.56 0.00 -0.81 2.81 2.04 0.30 -2.98 117.51 119.43 1d2h h ILE 160 Ca 0.15 0.00 0.11 0.00 1.00 0.00 0.00 64.86 66.12 1d2h h ILE 160 Cb 0.05 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.05 1d2h h ILE 160 CO -0.02 0.00 0.44 0.00 0.00 0.00 0.00 178.15 178.56 1d2h h ALA 161 N -1.26 1.16 -0.89 1.87 0.00 -0.61 -2.62 119.26 116.92 1d2h h ALA 161 Ca -0.05 0.05 0.23 0.00 0.00 0.00 0.00 54.91 55.15 1d2h h ALA 161 Cb 0.57 -0.08 -0.16 0.00 0.00 0.00 0.00 17.79 18.12 1d2h h ALA 161 CO -0.02 0.02 0.06 1.03 0.00 0.00 0.00 179.25 180.34 1d2h h SER 162 N 0.70 -0.34 0.00 0.00 0.87 -1.09 0.44 113.55 114.13 1d2h h SER 162 Ca 0.41 0.24 0.00 0.00 -1.23 0.00 0.00 61.79 61.20 1d2h h SER 162 Cb 0.44 0.40 0.00 0.00 -0.44 0.00 0.00 62.40 62.80 1d2h h SER 162 CO -0.28 -0.26 0.07 0.23 -0.53 0.00 0.00 176.83 176.06 1d2h n MET 163 N -5.39 0.13 -2.72 2.24 2.81 -0.99 -4.60 117.12 108.60 1d2h n MET 163 Ca 0.20 0.62 -0.41 0.00 -1.81 0.00 0.00 57.70 56.29 1d2h n MET 163 Cb 0.65 -1.98 -0.04 0.00 -0.71 0.00 0.00 33.22 31.13 1d2h n MET 163 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 1d2h s VAL 164 N -3.49 4.54 0.51 2.03 1.01 0.16 -1.13 120.40 124.03 1d2h s VAL 164 Ca -0.02 2.06 -0.08 0.00 0.00 0.00 0.00 61.98 63.94 1d2h s VAL 164 Cb 0.06 -4.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.07 1d2h s VAL 164 CO 0.18 0.29 0.86 0.00 0.00 0.00 0.00 175.10 176.43 1d2h s ARG 165 N 0.15 3.62 0.45 2.72 1.70 -0.54 -4.81 118.95 122.24 1d2h s ARG 165 Ca 0.48 0.44 -0.21 0.00 -0.47 0.00 0.00 55.73 55.97 1d2h s ARG 165 Cb -0.23 -2.28 -0.13 0.00 -0.57 0.00 0.00 34.95 31.74 1d2h s ARG 165 CO 0.30 -0.29 0.40 -2.30 -1.08 0.00 0.00 175.30 172.33 1d2h n PRO 166 N -2.21 0.40 -1.29 3.89 -0.02 -1.26 0.14 135.00 134.65 1d2h n PRO 166 Ca 0.03 0.15 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1d2h n PRO 166 Cb 0.55 -1.39 -0.04 0.00 -0.02 0.00 0.00 33.50 32.59 1d2h n PRO 166 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 167 N 1.95 1.01 3.08 -1.23 0.00 0.59 -4.95 105.19 105.65 1d2h n GLY 167 Ca 0.11 -0.07 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 1d2h n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLY 168 N -0.16 -1.17 3.21 -0.02 0.00 0.36 -4.80 105.19 102.61 1d2h n GLY 168 Ca -0.10 -1.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.06 1d2h n GLY 168 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1d2h s LEU 169 N 0.00 1.68 -0.24 0.99 1.02 -0.98 -1.18 118.68 119.97 1d2h s LEU 169 Ca 0.59 -1.28 -0.04 0.00 0.02 0.00 0.00 54.13 53.42 1d2h s LEU 169 Cb -0.02 0.18 0.12 0.00 0.02 0.00 0.00 46.19 46.50 1d2h s LEU 169 CO 0.41 -0.72 0.43 -0.22 0.02 0.00 0.00 176.35 176.27 1d2h s LEU 170 N -3.15 -0.75 -1.07 1.79 2.96 -0.44 -1.94 118.68 116.08 1d2h s LEU 170 Ca 0.30 0.64 -0.05 0.00 -0.22 0.00 0.00 54.13 54.80 1d2h s LEU 170 Cb 0.07 1.37 0.29 0.00 0.50 0.00 0.00 46.19 48.43 1d2h s LEU 170 CO 0.07 -0.27 1.31 0.52 -1.32 0.00 0.00 176.35 176.67 1d2h n VAL 171 N 5.39 4.89 -3.31 1.68 0.31 -0.55 -1.58 118.33 125.15 1d2h n VAL 171 Ca -0.05 -5.71 -0.38 0.00 -0.01 0.00 0.00 64.34 58.18 1d2h n VAL 171 Cb 0.50 -2.24 -0.06 0.00 -0.91 0.00 0.00 33.84 31.12 1d2h n VAL 171 CO 0.00 0.00 0.00 -0.51 -1.32 0.00 0.00 176.83 175.00 1d2h s ILE 172 N -2.28 5.18 0.10 2.52 2.07 -0.75 -1.26 121.20 126.78 1d2h s ILE 172 Ca 0.31 0.94 0.06 0.00 -1.41 0.00 0.00 60.65 60.55 1d2h s ILE 172 Cb 0.00 -3.81 -0.03 0.00 0.13 0.00 0.00 42.46 38.75 1d2h s ILE 172 CO 0.04 0.30 -0.16 1.51 -1.91 0.00 0.00 174.94 174.71 1d2h s ASP 173 N 0.74 2.06 -0.02 4.50 3.84 -0.95 -1.13 116.67 125.71 1d2h s ASP 173 Ca 0.25 -0.71 -0.10 0.00 -0.00 0.00 0.00 52.55 52.00 1d2h s ASP 173 Cb -0.15 -0.09 0.01 0.00 -1.38 0.00 0.00 42.92 41.31 1d2h s ASP 173 CO 0.10 -0.06 0.20 -1.38 -0.00 0.00 0.00 175.17 174.03 1d2h s HIS 174 N -1.54 -0.07 0.87 2.11 -3.43 -0.57 -2.85 115.29 109.82 1d2h s HIS 174 Ca 0.04 0.09 -0.11 0.00 -0.80 0.00 0.00 55.06 54.29 1d2h s HIS 174 Cb -0.08 0.01 0.11 0.00 -1.43 0.00 0.00 32.58 31.20 1d2h s HIS 174 CO 0.03 -0.29 1.11 0.15 -2.00 0.00 0.00 174.74 173.74 1d2h s LYS 175 N -1.13 1.45 -1.24 -0.38 1.02 -1.26 -1.32 119.74 116.88 1d2h s LYS 175 Ca -0.12 1.21 -0.17 0.00 0.02 0.00 0.00 55.97 56.90 1d2h s LYS 175 Cb -0.06 -1.80 0.10 0.00 -0.52 0.00 0.00 37.83 35.55 1d2h s LYS 175 CO 0.02 -2.22 1.61 1.21 -0.92 0.00 0.00 175.35 175.06 1d2h s ASN 176 N -3.11 6.87 0.37 2.83 2.47 -0.68 -4.72 114.94 118.97 1d2h s ASN 176 Ca 0.64 -2.50 0.20 0.00 0.42 0.00 0.00 52.86 51.61 1d2h s ASN 176 Cb -0.20 -2.52 0.49 0.00 -1.45 0.00 0.00 41.25 37.57 1d2h s ASN 176 CO 0.57 -1.08 1.64 1.88 -3.72 0.00 0.00 177.10 176.40 1d2h h TYR 177 N 7.68 0.00 -0.56 0.43 0.05 -1.89 -2.54 116.97 120.14 1d2h h TYR 177 Ca 0.38 0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.27 1d2h h TYR 177 Cb 0.89 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.52 1d2h h TYR 177 CO 1.32 0.32 -0.23 -0.44 -1.05 0.00 0.00 178.16 178.08 1d2h h ASP 178 N 0.00 -0.80 0.38 3.88 3.45 -1.86 0.74 116.42 122.22 1d2h h ASP 178 Ca -0.00 0.19 -0.02 0.00 0.43 0.00 0.00 57.03 57.63 1d2h h ASP 178 Cb 1.05 0.45 0.00 0.00 -0.56 0.00 0.00 39.33 40.27 1d2h h ASP 178 CO 0.04 -0.25 -0.18 0.22 -1.57 0.00 0.00 179.24 177.50 1d2h h TYR 179 N -0.09 -0.48 -1.01 4.55 5.03 -1.94 -2.27 116.97 120.76 1d2h h TYR 179 Ca 0.25 -0.01 0.39 0.00 2.58 0.00 0.00 58.73 61.94 1d2h h TYR 179 Cb 0.49 0.16 -0.17 0.00 1.55 0.00 0.00 36.73 38.76 1d2h h TYR 179 CO -0.53 -0.18 0.56 0.82 -1.32 0.00 0.00 178.16 177.51 1d2h h ILE 180 N -1.02 0.10 0.34 1.81 2.04 -0.98 1.13 117.51 120.93 1d2h h ILE 180 Ca -0.05 -0.04 -0.02 0.00 1.00 0.00 0.00 64.86 65.75 1d2h h ILE 180 Cb 0.52 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.58 1d2h h ILE 180 CO 0.09 0.02 -0.16 -0.07 0.00 0.00 0.00 178.15 178.02 1d2h h LEU 181 N 0.11 -0.39 -2.58 1.44 4.07 0.51 -1.69 115.31 116.77 1d2h h LEU 181 Ca 0.81 -0.16 -0.00 0.00 0.08 0.00 0.00 57.88 58.61 1d2h h LEU 181 Cb 2.07 0.10 -0.00 0.00 1.08 0.00 0.00 40.66 43.91 1d2h h LEU 181 CO -0.71 -0.01 -0.01 0.77 -1.08 0.00 0.00 178.44 177.40 1d2h h SER 182 N -0.82 0.00 0.12 -0.43 4.64 0.87 -2.84 113.55 115.08 1d2h h SER 182 Ca -0.05 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.01 1d2h h SER 182 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1d2h h SER 182 CO 0.08 0.01 -1.31 0.00 -0.87 0.00 0.00 176.83 174.74 1d2h h THR 183 N 0.00 1.11 0.00 2.95 1.03 0.11 -3.49 112.91 114.62 1d2h h THR 183 Ca -0.00 -2.42 0.00 0.00 -0.01 0.00 0.00 66.41 63.98 1d2h h THR 183 Cb 0.13 2.80 0.00 0.00 -1.07 0.00 0.00 68.15 70.00 1d2h h THR 183 CO 0.00 0.70 0.00 0.61 -0.01 0.00 0.00 175.52 176.82 1d2h n GLY 184 N 1.72 2.58 3.31 2.99 0.00 -0.65 -5.05 105.19 110.10 1d2h n GLY 184 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 1d2h n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h s ALA 186 N -3.45 2.83 -0.67 0.00 0.00 -1.26 -4.61 121.76 114.61 1d2h s ALA 186 Ca 0.39 -1.20 -0.26 0.00 0.00 0.00 0.00 51.96 50.89 1d2h s ALA 186 Cb 0.02 -1.74 0.04 0.00 0.00 0.00 0.00 23.12 21.44 1d2h s ALA 186 CO 0.25 -0.48 1.16 -1.25 0.00 0.00 0.00 175.76 175.44 1d2h s PRO 187 N 1.48 3.26 0.00 0.00 0.04 -1.26 -4.91 135.00 133.61 1d2h s PRO 187 Ca 0.05 -0.24 0.00 0.00 0.04 0.00 0.00 61.00 60.85 1d2h s PRO 187 Cb -0.15 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.26 1d2h s PRO 187 CO -0.03 -1.91 0.00 -0.35 0.04 0.00 0.00 177.00 174.75 1d2h n PRO 188 N 8.64 0.09 0.00 0.56 -0.04 -1.26 -4.71 135.00 138.28 1d2h n PRO 188 Ca 0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.49 1d2h n PRO 188 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1d2h n PRO 188 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1d2h n GLY 189 N 4.81 1.69 3.57 0.55 0.00 -1.26 -4.94 105.19 109.62 1d2h n GLY 189 Ca 0.00 -0.53 -0.18 0.00 0.00 0.00 0.00 46.02 45.31 1d2h n GLY 189 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1d2h s LYS 190 N 0.00 1.63 -1.06 1.61 2.47 -1.26 -4.73 119.74 118.40 1d2h s LYS 190 Ca 0.00 -0.39 -0.16 0.00 -1.56 0.00 0.00 55.97 53.86 1d2h s LYS 190 Cb 0.00 -5.00 0.16 0.00 -1.46 0.00 0.00 37.83 31.53 1d2h s LYS 190 CO 0.00 -4.83 1.24 1.21 0.16 0.00 0.00 175.35 173.13 1d2h s ASN 191 N 8.53 6.88 0.00 1.43 3.84 -1.26 -4.82 114.94 129.54 1d2h s ASN 191 Ca 0.80 -2.60 0.00 0.00 0.21 0.00 0.00 52.86 51.27 1d2h s ASN 191 Cb -0.06 -2.38 0.00 0.00 -0.55 0.00 0.00 41.25 38.26 1d2h s ASN 191 CO 0.14 -0.85 0.61 2.30 -2.79 0.00 0.00 177.10 176.51 1d2h n ILE 192 N 4.85 0.72 -0.06 -5.21 -5.35 -1.26 0.83 119.36 113.88 1d2h n ILE 192 Ca 0.29 0.24 -0.02 0.00 -0.27 0.00 0.00 62.75 63.00 1d2h n ILE 192 Cb 0.46 -1.24 -0.16 0.00 -1.74 0.00 0.00 39.64 36.95 1d2h n ILE 192 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1d2h n TYR 193 N -1.11 0.03 -3.64 4.28 4.02 -1.26 -4.54 117.16 114.94 1d2h n TYR 193 Ca 0.00 0.01 -0.14 0.00 -0.01 0.00 0.00 57.90 57.77 1d2h n TYR 193 Cb 0.06 -0.81 -0.07 0.00 -0.02 0.00 0.00 39.34 38.50 1d2h n TYR 193 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 176.86 176.56 1d2h s TYR 194 N -2.90 -0.76 -1.47 -0.72 2.02 0.24 -2.57 117.35 111.19 1d2h s TYR 194 Ca -0.09 1.84 -0.13 0.00 -0.37 0.00 0.00 57.07 58.32 1d2h s TYR 194 Cb 0.09 0.27 0.03 0.00 -0.40 0.00 0.00 41.96 41.96 1d2h s TYR 194 CO 0.86 -0.37 2.30 1.17 -1.57 0.00 0.00 175.55 177.94 1d2h n LYS 195 N 2.79 3.00 -1.53 -0.62 3.00 -1.26 -4.02 118.16 119.52 1d2h n LYS 195 Ca -0.14 -2.61 -0.55 0.00 -0.00 0.00 0.00 58.31 55.01 1d2h n LYS 195 Cb 0.55 -3.21 -0.07 0.00 0.00 0.00 0.00 35.03 32.31 1d2h n LYS 195 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1d2h n SER 196 N 5.67 0.49 -0.00 3.14 2.88 -1.26 -4.86 113.62 119.69 1d2h n SER 196 Ca 0.55 1.14 0.09 0.00 -1.33 0.00 0.00 58.87 59.32 1d2h n SER 196 Cb 0.37 -1.03 -0.11 0.00 -0.75 0.00 0.00 64.21 62.69 1d2h n SER 196 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1d2h n ASP 197 N 1.87 0.83 -4.88 -3.46 4.64 -1.26 -4.95 116.55 109.34 1d2h n ASP 197 Ca 0.19 -0.75 -0.36 0.00 -1.38 0.00 0.00 54.79 52.49 1d2h n ASP 197 Cb 0.14 1.17 -0.06 0.00 -1.04 0.00 0.00 41.12 41.33 1d2h n ASP 197 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1d2h s LEU 198 N -3.15 4.39 -0.07 -2.67 2.96 -1.26 -5.10 118.68 113.78 1d2h s LEU 198 Ca 0.04 0.48 -0.00 0.00 -0.22 0.00 0.00 54.13 54.43 1d2h s LEU 198 Cb 0.13 -2.20 -0.03 0.00 0.50 0.00 0.00 46.19 44.60 1d2h s LEU 198 CO 0.76 0.38 -0.02 0.42 -1.32 0.00 0.00 176.35 176.56 1d2h s THR 199 N -1.08 4.07 -0.11 3.68 -4.23 -1.26 -5.06 115.64 111.65 1d2h s THR 199 Ca 0.18 -0.38 -0.15 0.00 -1.18 0.00 0.00 61.69 60.16 1d2h s THR 199 Cb -0.12 -2.71 0.04 0.00 1.34 0.00 0.00 72.50 71.04 1d2h s THR 199 CO 0.07 0.57 0.39 -1.59 -0.54 0.00 0.00 174.62 173.52 1d2h s LYS 200 N -0.95 0.54 -0.30 3.99 0.00 -1.26 -1.94 119.74 119.82 1d2h s LYS 200 Ca 0.14 0.36 -0.21 0.00 0.00 0.00 0.00 55.97 56.26 1d2h s LYS 200 Cb -0.11 0.26 -0.01 0.00 0.00 0.00 0.00 37.83 37.97 1d2h s LYS 200 CO 0.03 -0.10 0.67 0.34 0.00 0.00 0.00 175.35 176.29 1d2h s ASP 201 N -0.22 6.55 0.15 0.03 -1.08 -0.80 -4.80 116.67 116.49 1d2h s ASP 201 Ca -0.04 0.51 -0.17 0.00 -0.52 0.00 0.00 52.55 52.33 1d2h s ASP 201 Cb -0.03 -2.35 -0.07 0.00 -1.46 0.00 0.00 42.92 39.00 1d2h s ASP 201 CO 0.02 -0.50 0.61 -0.63 0.52 0.00 0.00 175.17 175.19 1d2h s ILE 202 N 2.69 4.73 -0.29 4.11 1.01 -1.26 -1.30 121.20 130.88 1d2h s ILE 202 Ca 0.27 1.08 0.01 0.00 0.00 0.00 0.00 60.65 62.01 1d2h s ILE 202 Cb -0.15 -3.82 0.09 0.00 0.01 0.00 0.00 42.46 38.59 1d2h s ILE 202 CO 0.12 0.32 0.05 -0.89 0.00 0.00 0.00 174.94 174.54 1d2h s THR 203 N -1.38 1.35 -0.11 2.92 2.01 -0.42 -4.93 115.64 115.07 1d2h s THR 203 Ca 0.37 -1.55 -0.27 0.00 0.31 0.00 0.00 61.69 60.55 1d2h s THR 203 Cb -0.17 -1.91 -0.02 0.00 0.01 0.00 0.00 72.50 70.41 1d2h s THR 203 CO 0.20 -0.51 0.87 -0.89 -0.69 0.00 0.00 174.62 173.60 1d2h s THR 204 N 1.40 4.89 -0.33 -0.82 2.01 -1.26 -1.71 115.64 119.82 1d2h s THR 204 Ca 0.06 1.76 0.01 0.00 0.31 0.00 0.00 61.69 63.83 1d2h s THR 204 Cb -0.18 -4.19 0.10 0.00 0.01 0.00 0.00 72.50 68.24 1d2h s THR 204 CO -0.16 0.08 0.09 -0.44 -0.69 0.00 0.00 174.62 173.51 1d2h s SER 205 N 1.05 4.24 0.35 3.53 0.01 -0.68 -4.87 113.70 117.33 1d2h s SER 205 Ca 0.43 -1.87 -0.11 0.00 1.31 0.00 0.00 55.95 55.71 1d2h s SER 205 Cb -0.18 -1.12 -0.07 0.00 0.21 0.00 0.00 66.02 64.86 1d2h s SER 205 CO 0.17 -0.39 0.72 -0.69 0.41 0.00 0.00 173.24 173.45 1d2h s VAL 206 N 1.31 4.79 -0.30 3.43 1.01 -1.26 -1.57 120.40 127.80 1d2h s VAL 206 Ca 0.11 0.65 -0.02 0.00 0.00 0.00 0.00 61.98 62.71 1d2h s VAL 206 Cb -0.18 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.61 1d2h s VAL 206 CO -0.18 -0.35 0.11 -0.22 0.00 0.00 0.00 175.10 174.45 1d2h s LEU 207 N -3.45 1.65 0.36 3.92 0.20 -0.56 -4.99 118.68 115.80 1d2h s LEU 207 Ca 0.51 -1.50 -0.27 0.00 0.69 0.00 0.00 54.13 53.56 1d2h s LEU 207 Cb -0.10 -0.69 -0.09 0.00 -0.43 0.00 0.00 46.19 44.88 1d2h s LEU 207 CO 0.26 -0.42 1.18 -0.89 -0.29 0.00 0.00 176.35 176.19 1d2h s THR 208 N 1.78 3.14 -0.24 3.68 2.01 -1.26 -1.69 115.64 123.06 1d2h s THR 208 Ca 0.09 1.04 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 1d2h s THR 208 Cb -0.17 -3.62 0.07 0.00 0.01 0.00 0.00 72.50 68.80 1d2h s THR 208 CO -0.29 0.17 0.05 -0.69 -0.69 0.00 0.00 174.62 173.17 1d2h s VAL 209 N -1.30 0.72 -1.49 3.82 1.01 -0.55 -4.76 120.40 117.87 1d2h s VAL 209 Ca 0.52 -0.90 -0.06 0.00 0.00 0.00 0.00 61.98 61.54 1d2h s VAL 209 Cb -0.33 -1.31 0.02 0.00 0.00 0.00 0.00 36.38 34.76 1d2h s VAL 209 CO 0.42 -0.36 0.65 0.59 0.00 0.00 0.00 175.10 176.41 1d2h n ASN 210 N 4.95 -5.61 0.00 3.32 3.02 -1.26 -1.57 115.26 118.11 1d2h n ASN 210 Ca -0.07 -0.35 0.00 0.00 -0.03 0.00 0.00 54.58 54.13 1d2h n ASN 210 Cb 0.45 -4.54 0.00 0.00 -0.61 0.00 0.00 39.78 35.08 1d2h n ASN 210 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1d2h n ASN 211 N -2.54 0.00 -4.40 6.41 4.05 -1.26 -5.03 115.26 112.49 1d2h n ASN 211 Ca -0.08 0.00 -0.34 0.00 0.45 0.00 0.00 54.58 54.61 1d2h n ASN 211 Cb 0.60 0.00 -0.13 0.00 1.23 0.00 0.00 39.78 41.47 1d2h n ASN 211 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1d2h s LYS 212 N -0.17 3.51 -0.24 1.20 2.20 -0.61 -5.05 119.74 120.58 1d2h s LYS 212 Ca 0.00 -0.59 -0.40 0.00 -0.36 0.00 0.00 55.97 54.62 1d2h s LYS 212 Cb 0.00 -2.92 -0.16 0.00 -1.51 0.00 0.00 37.83 33.24 1d2h s LYS 212 CO 0.00 0.05 1.65 0.00 -0.36 0.00 0.00 175.35 176.69 1d2h n ALA 213 N 4.07 -0.55 0.49 3.13 0.00 -1.26 -1.48 120.51 124.91 1d2h n ALA 213 Ca -0.18 0.42 0.07 0.00 0.00 0.00 0.00 53.44 53.75 1d2h n ALA 213 Cb 0.52 -2.15 -0.08 0.00 0.00 0.00 0.00 19.45 17.73 1d2h n ALA 213 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1d2h n HIS 214 N 4.69 0.00 0.00 0.00 -0.00 -0.68 -4.79 115.22 114.44 1d2h n HIS 214 Ca 0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.44 1d2h n HIS 214 Cb 0.11 -0.07 0.00 0.00 -0.12 0.00 0.00 29.99 29.91 1d2h n HIS 214 CO 0.00 0.00 0.00 -0.12 0.46 0.00 0.00 176.34 176.68 1d2h n MET 215 N -1.48 0.00 -3.96 1.57 0.00 -1.23 -4.77 117.12 107.24 1d2h n MET 215 Ca 0.01 0.00 -0.29 0.00 -0.00 0.00 0.00 57.70 57.42 1d2h n MET 215 Cb 0.25 0.00 -0.16 0.00 0.00 0.00 0.00 33.22 33.30 1d2h n MET 215 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 1d2h s VAL 216 N -2.00 1.40 -0.32 1.12 1.01 -0.56 -1.50 120.40 119.55 1d2h s VAL 216 Ca 0.00 -0.69 -0.08 0.00 0.00 0.00 0.00 61.98 61.20 1d2h s VAL 216 Cb 0.00 -1.44 0.01 0.00 0.00 0.00 0.00 36.38 34.95 1d2h s VAL 216 CO 0.00 0.28 0.13 -0.89 0.00 0.00 0.00 175.10 174.62 1d2h s THR 217 N 1.53 4.28 -0.21 3.92 2.01 -0.61 -1.37 115.64 125.18 1d2h s THR 217 Ca 0.02 -0.68 -0.19 0.00 0.31 0.00 0.00 61.69 61.16 1d2h s THR 217 Cb -0.14 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1d2h s THR 217 CO -0.09 -0.01 0.53 -0.76 -0.69 0.00 0.00 174.62 173.60 1d2h s LEU 218 N 1.54 4.14 -0.52 4.42 2.01 -0.17 -1.69 118.68 128.41 1d2h s LEU 218 Ca 0.03 0.68 -0.09 0.00 0.01 0.00 0.00 54.13 54.75 1d2h s LEU 218 Cb -0.18 -2.73 0.13 0.00 0.01 0.00 0.00 46.19 43.43 1d2h s LEU 218 CO 0.05 -0.20 0.40 -1.81 1.01 0.00 0.00 176.35 175.79 1d2h s ASP 219 N 1.20 5.78 -0.16 2.29 1.01 -0.69 -1.79 116.67 124.31 1d2h s ASP 219 Ca 0.24 -2.05 -0.26 0.00 0.71 0.00 0.00 52.55 51.19 1d2h s ASP 219 Cb -0.15 -2.03 -0.01 0.00 1.01 0.00 0.00 42.92 41.73 1d2h s ASP 219 CO 0.10 -0.67 0.86 -0.31 0.21 0.00 0.00 175.17 175.36 1d2h s TYR 220 N 1.16 3.43 -0.86 4.23 4.12 -0.37 -1.30 117.35 127.75 1d2h s TYR 220 Ca 0.07 1.31 -0.02 0.00 0.02 0.00 0.00 57.07 58.46 1d2h s TYR 220 Cb -0.25 -3.04 0.21 0.00 -1.52 0.00 0.00 41.96 37.36 1d2h s TYR 220 CO -0.01 -0.24 0.74 0.99 0.02 0.00 0.00 175.55 177.05 1d2h s THR 221 N 2.14 4.32 0.34 -0.71 2.01 -0.42 -1.04 115.64 122.29 1d2h s THR 221 Ca 0.40 -3.72 -0.29 0.00 0.31 0.00 0.00 61.69 58.39 1d2h s THR 221 Cb -0.17 -3.70 -0.11 0.00 0.01 0.00 0.00 72.50 68.54 1d2h s THR 221 CO 0.13 -1.06 1.48 -0.69 -0.69 0.00 0.00 174.62 173.79 1d2h s VAL 222 N -1.16 2.20 -0.82 3.82 1.01 -0.38 -1.91 120.40 123.16 1d2h s VAL 222 Ca 0.26 0.19 0.02 0.00 0.00 0.00 0.00 61.98 62.45 1d2h s VAL 222 Cb -0.09 -3.12 0.25 0.00 0.00 0.00 0.00 36.38 33.41 1d2h s VAL 222 CO -0.11 0.04 0.89 1.67 0.00 0.00 0.00 175.10 177.59 1d2h n GLN 223 N 1.05 2.90 -1.63 2.72 0.00 -0.82 -1.51 117.38 120.10 1d2h n GLN 223 Ca 0.03 -4.58 -0.48 0.00 -0.00 0.00 0.00 57.00 51.98 1d2h n GLN 223 Cb 0.39 -2.36 -0.04 0.00 0.00 0.00 0.00 30.24 28.23 1d2h n GLN 223 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.06 178.61 1d2h n VAL 224 N 1.50 0.53 0.00 1.69 3.14 -0.44 -4.77 118.33 119.97 1d2h n VAL 224 Ca 0.26 -0.13 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 1d2h n VAL 224 Cb 0.37 -1.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.00 1d2h n VAL 224 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 1d2h n PRO 225 N 2.34 0.00 -3.91 1.45 -0.01 -1.26 -1.26 135.00 132.34 1d2h n PRO 225 Ca 0.15 0.59 -0.35 0.00 -0.01 0.00 0.00 63.50 63.88 1d2h n PRO 225 Cb 0.26 -1.03 -0.14 0.00 -0.01 0.00 0.00 33.50 32.58 1d2h n PRO 225 CO 0.00 0.00 0.00 0.20 -0.01 0.00 0.00 175.50 175.69 1d2h s GLY 226 N -0.33 1.67 -0.16 -1.23 0.00 -1.26 -1.45 107.32 104.56 1d2h s GLY 226 Ca 0.00 -1.48 0.06 0.00 0.00 0.00 0.00 44.72 43.30 1d2h s GLY 226 CO 0.00 0.56 1.19 0.00 0.00 0.00 0.00 173.10 174.85 1d2h n ALA 227 N 4.71 2.81 -2.36 3.20 0.00 0.13 -4.61 120.51 124.40 1d2h n ALA 227 Ca -0.16 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.51 1d2h n ALA 227 Cb 0.47 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.35 1d2h n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1d2h n GLY 228 N -0.75 2.26 0.00 0.00 0.00 0.26 -3.95 105.19 103.02 1d2h n GLY 228 Ca -0.20 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.66 1d2h n GLY 228 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1d2h n ARG 229 N 0.00 0.00 -0.11 1.61 3.00 -1.26 -4.81 116.66 115.09 1d2h n ARG 229 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1d2h n ARG 229 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 1d2h n ARG 229 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 1d2h n ASP 230 N -0.12 3.05 0.00 6.15 9.92 -1.26 -4.60 116.55 129.70 1d2h n ASP 230 Ca 0.00 -1.82 0.00 0.00 -0.53 0.00 0.00 54.79 52.44 1d2h n ASP 230 Cb 0.00 -0.56 0.00 0.00 -0.64 0.00 0.00 41.12 39.92 1d2h n ASP 230 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1d2h n GLY 231 N 0.84 1.92 3.34 0.44 0.00 -1.26 -5.09 105.19 105.38 1d2h n GLY 231 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1d2h n GLY 231 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1d2h n ALA 232 N -0.31 -2.39 -1.13 4.61 0.00 -1.26 -4.26 120.51 115.77 1d2h n ALA 232 Ca 0.00 -0.18 -0.29 0.00 0.00 0.00 0.00 53.44 52.98 1d2h n ALA 232 Cb 0.00 -1.62 0.18 0.00 0.00 0.00 0.00 19.45 18.01 1d2h n ALA 232 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1d2h s PRO 233 N -1.94 0.39 0.19 0.00 0.02 -0.52 0.92 135.00 134.05 1d2h s PRO 233 Ca 0.61 0.57 0.09 0.00 0.02 0.00 0.00 61.00 62.28 1d2h s PRO 233 Cb -0.40 -1.73 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 1d2h s PRO 233 CO 0.63 -2.77 -0.09 0.20 -0.33 0.00 0.00 177.00 174.63 1d2h s GLY 234 N -3.39 1.73 -0.51 0.52 0.00 -0.39 -3.54 107.32 101.74 1d2h s GLY 234 Ca 0.65 -1.50 -0.02 0.00 0.00 0.00 0.00 44.72 43.86 1d2h s GLY 234 CO 0.58 -1.52 0.30 -1.36 0.00 0.00 0.00 173.10 171.10 1d2h s PHE 235 N -1.77 3.49 -0.14 1.90 0.40 -1.26 -1.33 117.98 119.26 1d2h s PHE 235 Ca 0.25 -2.65 0.00 0.00 -0.60 0.00 0.00 56.93 53.94 1d2h s PHE 235 Cb -0.08 -3.16 -0.01 0.00 0.51 0.00 0.00 43.02 40.27 1d2h s PHE 235 CO 0.15 -0.89 -0.14 -1.12 0.70 0.00 0.00 175.22 173.92 1d2h s SER 236 N 1.10 3.82 0.40 1.36 0.01 -0.57 -4.95 113.70 114.87 1d2h s SER 236 Ca 0.13 -0.40 0.07 0.00 1.31 0.00 0.00 55.95 57.06 1d2h s SER 236 Cb -0.22 -1.58 -0.07 0.00 0.21 0.00 0.00 66.02 64.36 1d2h s SER 236 CO -0.04 0.13 0.04 -1.59 0.41 0.00 0.00 173.24 172.19 1d2h s LYS 237 N 0.57 2.01 -0.08 12.44 -2.85 -1.26 -1.25 119.74 129.32 1d2h s LYS 237 Ca -0.09 -2.01 -0.30 0.00 -1.00 0.00 0.00 55.97 52.57 1d2h s LYS 237 Cb -0.16 -1.75 0.09 0.00 -2.06 0.00 0.00 37.83 33.96 1d2h s LYS 237 CO 0.03 -0.03 0.80 -0.59 0.10 0.00 0.00 175.35 175.66 1d2h s PHE 238 N -2.66 -0.54 0.14 1.78 -0.71 -0.20 -4.92 117.98 110.87 1d2h s PHE 238 Ca 0.36 0.88 0.03 0.00 -1.04 0.00 0.00 56.93 57.16 1d2h s PHE 238 Cb 0.07 0.44 -0.04 0.00 -1.21 0.00 0.00 43.02 42.27 1d2h s PHE 238 CO 0.19 -0.52 -0.05 0.50 -1.34 0.00 0.00 175.22 174.00 1d2h s ARG 239 N -1.34 1.01 -0.00 1.99 3.52 -1.26 -1.24 118.95 121.62 1d2h s ARG 239 Ca -0.07 -1.45 -0.20 0.00 -0.13 0.00 0.00 55.73 53.88 1d2h s ARG 239 Cb -0.00 -0.37 0.04 0.00 -1.56 0.00 0.00 34.95 33.06 1d2h s ARG 239 CO 0.05 -0.03 0.44 -1.17 -0.81 0.00 0.00 175.30 173.78 1d2h s LEU 240 N -3.13 0.30 0.24 -0.88 0.20 -0.74 -5.00 118.68 109.66 1d2h s LEU 240 Ca 0.18 0.23 0.11 0.00 0.69 0.00 0.00 54.13 55.33 1d2h s LEU 240 Cb 0.05 1.76 -0.05 0.00 -0.43 0.00 0.00 46.19 47.53 1d2h s LEU 240 CO 0.00 -0.56 -0.13 -0.44 -0.29 0.00 0.00 176.35 174.93 1d2h s SER 241 N -1.50 3.96 0.13 3.68 0.01 -1.26 -0.99 113.70 117.72 1d2h s SER 241 Ca -0.10 -0.80 -0.00 0.00 1.31 0.00 0.00 55.95 56.35 1d2h s SER 241 Cb -0.02 -0.53 0.00 0.00 0.21 0.00 0.00 66.02 65.68 1d2h s SER 241 CO 0.04 0.06 0.17 -1.22 0.41 0.00 0.00 173.24 172.69 1d2h n TYR 242 N -0.40 -0.71 -4.16 2.43 0.53 -0.47 -4.78 117.16 109.59 1d2h n TYR 242 Ca -0.08 -0.90 -0.34 0.00 -1.02 0.00 0.00 57.90 55.55 1d2h n TYR 242 Cb 0.58 0.19 -0.10 0.00 -1.03 0.00 0.00 39.34 38.97 1d2h n TYR 242 CO 0.00 0.00 0.00 -0.47 -1.02 0.00 0.00 176.86 175.37 1d2h s TYR 243 N -3.90 3.18 -0.94 -0.72 5.04 0.94 -1.50 117.35 119.45 1d2h s TYR 243 Ca 0.12 -0.02 -0.06 0.00 -2.44 0.00 0.00 57.07 54.66 1d2h s TYR 243 Cb -0.00 -2.01 -0.08 0.00 0.35 0.00 0.00 41.96 40.22 1d2h s TYR 243 CO 0.08 0.14 2.40 -0.35 -1.34 0.00 0.00 175.55 176.48 1d2h n PRO 244 N 3.37 2.36 -1.73 4.97 -0.04 -1.26 -4.84 135.00 137.84 1d2h n PRO 244 Ca -0.17 -1.51 -0.41 0.00 -0.04 0.00 0.00 63.50 61.37 1d2h n PRO 244 Cb 0.52 -2.44 0.01 0.00 -0.04 0.00 0.00 33.50 31.56 1d2h n PRO 244 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1d2h n HIS 245 N 3.81 2.39 -5.19 0.54 8.25 -1.26 -4.79 115.22 118.96 1d2h n HIS 245 Ca 0.50 0.48 -0.32 0.00 -0.26 0.00 0.00 57.72 58.13 1d2h n HIS 245 Cb 0.23 -2.42 -0.16 0.00 1.12 0.00 0.00 29.99 28.77 1d2h n HIS 245 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1d2h n LEU 247 N 2.78 -0.12 -0.10 0.00 7.94 -1.26 -1.05 117.00 125.19 1d2h n LEU 247 Ca -0.17 0.54 -0.03 0.00 -1.11 0.00 0.00 56.01 55.25 1d2h n LEU 247 Cb 0.52 -0.20 -0.02 0.00 0.53 0.00 0.00 43.42 44.25 1d2h n LEU 247 CO 0.25 -0.33 0.32 0.00 -1.11 0.00 0.00 177.39 176.51 1d2h n ALA 248 N -2.75 -0.15 -0.11 1.96 0.00 -1.26 -0.21 120.51 117.98 1d2h n ALA 248 Ca 0.00 0.20 -0.07 0.00 0.00 0.00 0.00 53.44 53.58 1d2h n ALA 248 Cb 0.03 0.17 0.01 0.00 0.00 0.00 0.00 19.45 19.66 1d2h n ALA 248 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1d2h h SER 249 N 0.00 0.22 -0.52 0.00 0.87 -1.52 -2.82 113.55 109.79 1d2h h SER 249 Ca 0.04 0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.61 1d2h h SER 249 Cb 0.10 -0.01 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1d2h h SER 249 CO -0.22 0.17 0.29 0.15 -0.53 0.00 0.00 176.83 176.68 1d2h h PHE 250 N 0.34 0.72 -0.19 2.24 3.57 -0.34 0.18 116.94 123.46 1d2h h PHE 250 Ca 0.16 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.69 1d2h h PHE 250 Cb 0.09 -0.23 -0.07 0.00 2.79 0.00 0.00 35.95 38.53 1d2h h PHE 250 CO -0.11 0.53 -0.39 1.15 -2.23 0.00 0.00 178.31 177.25 1d2h h THR 251 N 0.70 0.18 -0.75 4.41 2.02 -0.39 0.45 112.91 119.53 1d2h h THR 251 Ca 0.18 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 1d2h h THR 251 Cb 0.05 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 66.61 1d2h h THR 251 CO -0.03 0.00 0.30 -0.08 0.37 0.00 0.00 175.52 176.08 1d2h h GLU 252 N -0.43 1.11 -0.42 6.66 4.81 -1.29 -2.67 114.58 122.34 1d2h h GLU 252 Ca 0.10 -0.19 0.02 0.00 -0.13 0.00 0.00 59.36 59.16 1d2h h GLU 252 Cb 0.59 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1d2h h GLU 252 CO -0.42 0.90 0.23 -0.07 -0.73 0.00 0.00 179.01 178.92 1d2h h LEU 253 N 1.08 0.36 0.39 1.64 3.38 0.77 -2.10 115.31 120.83 1d2h h LEU 253 Ca 0.25 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.21 1d2h h LEU 253 Cb 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1d2h h LEU 253 CO -0.02 0.26 -0.19 1.62 0.09 0.00 0.00 178.44 180.20 1d2h h VAL 254 N 0.47 0.62 -0.45 1.22 3.04 0.16 -3.08 116.25 118.23 1d2h h VAL 254 Ca 0.17 -0.13 0.05 0.00 -1.01 0.00 0.00 66.70 65.79 1d2h h VAL 254 Cb 0.04 0.69 -0.05 0.00 -2.01 0.00 0.00 31.29 29.96 1d2h h VAL 254 CO -0.10 0.03 0.19 1.56 -1.01 0.00 0.00 177.57 178.24 1d2h h GLN 255 N -0.60 0.38 -1.31 4.17 4.20 -1.46 -0.59 115.11 119.89 1d2h h GLN 255 Ca -0.05 -0.02 0.38 0.00 0.06 0.00 0.00 58.65 59.02 1d2h h GLN 255 Cb 0.44 -0.09 -0.07 0.00 0.30 0.00 0.00 27.48 28.07 1d2h h GLN 255 CO 0.09 0.25 0.92 1.49 -0.67 0.00 0.00 178.83 180.90 1d2h h GLU 256 N 0.39 0.08 0.26 1.46 4.81 -1.30 -0.57 114.58 119.71 1d2h h GLU 256 Ca 0.21 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.42 1d2h h GLU 256 Cb 0.16 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.52 1d2h h GLU 256 CO -0.18 0.06 -0.12 0.00 -0.73 0.00 0.00 179.01 178.03 1d2h h ALA 257 N 1.41 -0.35 0.00 2.92 0.00 -1.02 -3.02 119.26 119.21 1d2h h ALA 257 Ca 0.67 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 55.39 1d2h h ALA 257 Cb 2.43 0.13 0.00 0.00 0.00 0.00 0.00 17.79 20.35 1d2h h ALA 257 CO -0.12 -0.49 0.00 1.19 0.00 0.00 0.00 179.25 179.82 1d2h n PHE 258 N -5.07 0.00 -0.42 0.00 3.72 -0.24 -4.71 117.46 110.74 1d2h n PHE 258 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 1d2h n PHE 258 Cb 0.26 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.77 1d2h n PHE 258 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1d2h n GLY 259 N 0.20 0.00 0.00 1.37 0.00 -1.14 -1.35 105.19 104.27 1d2h n GLY 259 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1d2h n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1d2h n GLY 260 N -1.83 2.09 3.57 -0.02 0.00 -1.14 -4.99 105.19 102.87 1d2h n GLY 260 Ca 0.00 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 1d2h n GLY 260 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1d2h s ARG 261 N 0.00 2.45 0.02 1.61 0.52 -0.46 -4.80 118.95 118.29 1d2h s ARG 261 Ca 0.00 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 1d2h s ARG 261 Cb 0.00 -5.16 0.10 0.00 0.52 0.00 0.00 34.95 30.41 1d2h s ARG 261 CO 0.00 -3.83 1.06 0.00 0.02 0.00 0.00 175.30 172.54 1d2h s GLN 263 N -2.91 2.82 -0.12 0.00 0.74 -0.73 -4.83 119.66 114.63 1d2h s GLN 263 Ca 0.10 -0.98 -0.10 0.00 0.05 0.00 0.00 55.36 54.43 1d2h s GLN 263 Cb 0.00 -2.94 -0.05 0.00 1.10 0.00 0.00 33.01 31.12 1d2h s GLN 263 CO -0.03 -0.39 0.22 -1.58 -0.55 0.00 0.00 175.29 172.95 1d2h s HIS 264 N 1.31 3.57 -0.14 1.67 5.65 -1.26 -1.35 115.29 124.75 1d2h s HIS 264 Ca 0.00 0.60 -0.11 0.00 0.25 0.00 0.00 55.06 55.80 1d2h s HIS 264 Cb -0.16 -2.11 0.04 0.00 -1.18 0.00 0.00 32.58 29.16 1d2h s HIS 264 CO -0.05 0.56 0.35 -1.12 -0.65 0.00 0.00 174.74 173.84 1d2h s SER 265 N -0.56 -0.38 -0.09 9.88 0.01 -0.96 -5.03 113.70 116.56 1d2h s SER 265 Ca 0.16 0.73 0.01 0.00 1.31 0.00 0.00 55.95 58.16 1d2h s SER 265 Cb -0.13 0.70 0.02 0.00 0.21 0.00 0.00 66.02 66.82 1d2h s SER 265 CO 0.05 -0.14 -0.12 0.54 0.41 0.00 0.00 173.24 173.98 1d2h s VAL 266 N 0.46 1.20 -0.15 3.43 0.11 -1.26 -1.08 120.40 123.12 1d2h s VAL 266 Ca -0.02 -0.47 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 1d2h s VAL 266 Cb -0.04 -1.13 -0.04 0.00 -1.53 0.00 0.00 36.38 33.64 1d2h s VAL 266 CO -0.02 0.38 0.13 -0.76 -3.33 0.00 0.00 175.10 171.50 1d2h s LEU 267 N 1.04 4.28 1.17 2.54 2.01 -0.15 -1.82 118.68 127.75 1d2h s LEU 267 Ca -0.07 0.37 -0.18 0.00 0.01 0.00 0.00 54.13 54.26 1d2h s LEU 267 Cb -0.15 -2.06 0.27 0.00 0.01 0.00 0.00 46.19 44.26 1d2h s LEU 267 CO -0.01 0.33 1.10 -0.83 1.01 0.00 0.00 176.35 177.95 1d2h s GLY 268 N -0.54 1.57 0.00 -3.19 0.00 0.43 -1.75 107.32 103.84 1d2h s GLY 268 Ca 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 44.72 44.03 1d2h s GLY 268 CO 0.02 0.02 0.00 1.22 0.00 0.00 0.00 173.10 174.35 1d2h n ASP 269 N -4.66 0.00 0.00 1.64 8.00 -1.05 -1.71 116.55 118.77 1d2h n ASP 269 Ca 0.11 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.61 1d2h n ASP 269 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.69 1d2h n ASP 269 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1d2h n PHE 270 N 0.00 0.00 -4.35 1.24 0.99 -1.26 -4.66 117.46 109.42 1d2h n PHE 270 Ca 0.00 0.00 -0.28 0.00 -0.00 0.00 0.00 57.45 57.17 1d2h n PHE 270 Cb 0.00 0.00 -0.11 0.00 -1.00 0.00 0.00 39.48 38.37 1d2h n PHE 270 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1d2h s LYS 271 N -0.00 1.74 0.84 -1.08 1.02 -0.69 -4.98 119.74 116.58 1d2h s LYS 271 Ca 0.00 -1.34 -0.16 0.00 0.02 0.00 0.00 55.97 54.48 1d2h s LYS 271 Cb 0.00 -2.02 -0.14 0.00 -0.52 0.00 0.00 37.83 35.15 1d2h s LYS 271 CO 0.00 0.44 -0.61 -2.30 -0.92 0.00 0.00 175.35 171.95 1d2h n PRO 272 N 0.40 0.00 -5.11 -1.68 -0.02 -1.26 0.16 135.00 127.49 1d2h n PRO 272 Ca -0.13 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.03 1d2h n PRO 272 Cb 0.55 -0.95 -0.17 0.00 -0.02 0.00 0.00 33.50 32.91 1d2h n PRO 272 CO 0.00 0.00 0.00 -0.47 1.98 0.00 0.00 175.50 177.01 1d2h s TYR 273 N -1.90 2.59 -0.20 6.00 5.04 -0.75 -3.63 117.35 124.50 1d2h s TYR 273 Ca 0.42 -1.07 0.01 0.00 -2.44 0.00 0.00 57.07 53.99 1d2h s TYR 273 Cb -0.24 -1.74 0.03 0.00 0.35 0.00 0.00 41.96 40.37 1d2h s TYR 273 CO 0.75 -0.44 -0.15 -0.98 -1.34 0.00 0.00 175.55 173.39 1d2h s ARG 274 N 0.42 2.49 0.58 4.97 1.70 -1.26 -4.93 118.95 122.92 1d2h s ARG 274 Ca -0.17 -0.89 -0.18 0.00 -0.47 0.00 0.00 55.73 54.02 1d2h s ARG 274 Cb -0.17 -2.52 -0.15 0.00 -0.57 0.00 0.00 34.95 31.54 1d2h s ARG 274 CO 0.07 -0.34 -0.18 -2.30 -1.08 0.00 0.00 175.30 171.47 1d2h n PRO 275 N 4.62 0.03 -4.13 3.89 -0.02 -1.26 -1.45 135.00 136.68 1d2h n PRO 275 Ca -0.17 0.01 -0.30 0.00 -2.02 0.00 0.00 63.50 61.02 1d2h n PRO 275 Cb 0.48 -1.04 -0.05 0.00 -0.02 0.00 0.00 33.50 32.87 1d2h n PRO 275 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1d2h n GLY 276 N 2.60 -0.24 3.63 -1.23 0.00 -1.26 -4.91 105.19 103.78 1d2h n GLY 276 Ca 0.07 0.15 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 1d2h n GLY 276 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1d2h s GLN 277 N -6.88 4.00 0.11 1.61 -2.07 -0.53 -4.99 119.66 110.92 1d2h s GLN 277 Ca 0.18 -0.31 -0.02 0.00 -1.82 0.00 0.00 55.36 53.39 1d2h s GLN 277 Cb -0.10 -3.45 0.19 0.00 -1.09 0.00 0.00 33.01 28.57 1d2h s GLN 277 CO 0.93 0.08 0.57 0.00 -1.32 0.00 0.00 175.29 175.56 1d2h n ALA 278 N 4.19 0.11 -0.37 2.60 0.00 -1.26 -4.42 120.51 121.37 1d2h n ALA 278 Ca -0.15 0.40 -0.14 0.00 0.00 0.00 0.00 53.44 53.55 1d2h n ALA 278 Cb 0.52 -0.25 0.23 0.00 0.00 0.00 0.00 19.45 19.95 1d2h n ALA 278 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1d2h n TYR 279 N -4.55 -3.35 -3.06 0.00 -0.00 -1.26 -5.05 117.16 99.90 1d2h n TYR 279 Ca 0.06 -0.59 -0.06 0.00 -0.00 0.00 0.00 57.90 57.31 1d2h n TYR 279 Cb 0.20 -1.12 -0.02 0.00 -0.00 0.00 0.00 39.34 38.41 1d2h n TYR 279 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40 1d2h s VAL 280 N -1.95 -0.79 0.24 2.97 0.11 -1.26 -5.06 120.40 114.67 1d2h s VAL 280 Ca 0.53 -0.79 -0.31 0.00 -2.93 0.00 0.00 61.98 58.48 1d2h s VAL 280 Cb -0.09 -0.20 -0.13 0.00 -1.53 0.00 0.00 36.38 34.43 1d2h s VAL 280 CO 0.45 -0.19 1.52 -0.81 -3.33 0.00 0.00 175.10 172.73 1d2h n PRO 281 N 3.63 2.33 -0.03 1.54 -0.04 -1.26 -4.90 135.00 136.27 1d2h n PRO 281 Ca 0.16 0.83 -0.16 0.00 -0.04 0.00 0.00 63.50 64.29 1d2h n PRO 281 Cb 0.54 -2.56 -0.09 0.00 -0.04 0.00 0.00 33.50 31.35 1d2h n PRO 281 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1d2h s TYR 283 N -3.65 2.72 -0.12 0.00 1.51 -1.26 -1.69 117.35 114.86 1d2h s TYR 283 Ca -0.13 -0.43 -0.02 0.00 -1.01 0.00 0.00 57.07 55.48 1d2h s TYR 283 Cb 0.05 -1.84 0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1d2h s TYR 283 CO 0.81 0.19 0.03 -0.06 -1.11 0.00 0.00 175.55 175.40 1d2h s PHE 284 N -2.45 0.67 -0.26 2.71 2.99 -0.44 -2.53 117.98 118.68 1d2h s PHE 284 Ca 0.41 -0.36 -0.05 0.00 0.00 0.00 0.00 56.93 56.94 1d2h s PHE 284 Cb -0.02 -0.83 0.01 0.00 0.00 0.00 0.00 43.02 42.18 1d2h s PHE 284 CO 0.24 -0.42 0.01 0.42 -0.00 0.00 0.00 175.22 175.47 1d2h s ILE 285 N 1.97 3.54 -0.25 0.64 1.01 -0.72 -1.50 121.20 125.88 1d2h s ILE 285 Ca 0.03 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.89 1d2h s ILE 285 Cb -0.14 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1d2h s ILE 285 CO -0.06 0.22 0.14 -1.00 0.00 0.00 0.00 174.94 174.24 1d2h s HIS 286 N 1.45 3.21 -0.10 3.97 3.76 -0.29 -0.98 115.29 126.32 1d2h s HIS 286 Ca 0.03 -0.01 0.01 0.00 -0.15 0.00 0.00 55.06 54.95 1d2h s HIS 286 Cb -0.16 -2.28 -0.02 0.00 1.11 0.00 0.00 32.58 31.23 1d2h s HIS 286 CO -0.01 -0.13 -0.14 0.14 -0.85 0.00 0.00 174.74 173.75 1d2h s VAL 287 N 1.41 3.02 -0.13 -0.90 -7.23 -0.24 -1.80 120.40 114.52 1d2h s VAL 287 Ca 0.06 -0.70 0.02 0.00 -1.81 0.00 0.00 61.98 59.56 1d2h s VAL 287 Cb -0.15 -2.23 0.01 0.00 0.56 0.00 0.00 36.38 34.57 1d2h s VAL 287 CO 0.06 0.55 -0.21 -0.76 -0.31 0.00 0.00 175.10 174.44 1d2h s LEU 288 N -0.05 2.03 -1.13 1.32 1.43 -0.62 -2.27 118.68 119.39 1d2h s LEU 288 Ca -0.03 -0.57 -0.09 0.00 -1.03 0.00 0.00 54.13 52.41 1d2h s LEU 288 Cb -0.14 -1.37 0.26 0.00 0.03 0.00 0.00 46.19 44.97 1d2h s LEU 288 CO 0.04 0.07 1.25 1.17 0.23 0.00 0.00 176.35 179.11 1d2h n LYS 289 N 4.06 3.66 -1.67 1.70 4.81 -0.45 -1.33 118.16 128.94 1d2h n LYS 289 Ca -0.20 -4.35 -0.60 0.00 -0.87 0.00 0.00 58.31 52.29 1d2h n LYS 289 Cb 0.52 -2.63 -0.08 0.00 0.02 0.00 0.00 35.03 32.86 1d2h n LYS 289 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1d2h n LYS 290 N 2.95 0.64 -0.05 1.64 4.81 -0.33 -1.78 118.16 126.04 1d2h n LYS 290 Ca 0.27 0.23 -0.06 0.00 -0.87 0.00 0.00 58.31 57.88 1d2h n LYS 290 Cb 0.39 -1.83 -0.07 0.00 0.02 0.00 0.00 35.03 33.54 1d2h n LYS 290 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1d2h n THR 291 N 3.61 0.66 -0.81 3.15 -2.24 -0.50 -0.30 114.28 117.85 1d2h n THR 291 Ca 0.26 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1d2h n THR 291 Cb 0.08 -0.79 0.00 0.00 -2.10 0.00 0.00 70.33 67.51 1d2h n THR 291 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11