#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ied n GLY 3 N 0.00 -1.08 0.26 1.09 0.00 -1.26 -4.26 105.19 99.94 2ied n GLY 3 Ca 0.00 -1.24 0.03 0.00 0.00 0.00 0.00 46.02 44.81 2ied n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ied h LEU 4 N 0.00 0.19 -3.44 0.99 6.46 -1.87 -2.91 115.31 114.73 2ied h LEU 4 Ca 0.00 0.11 -0.17 0.00 -0.12 0.00 0.00 57.88 57.69 2ied h LEU 4 Cb 0.00 0.10 -0.10 0.00 -0.73 0.00 0.00 40.66 39.93 2ied h LEU 4 CO 0.00 0.08 0.07 0.18 -0.62 0.00 0.00 178.44 178.14 2ied n LEU 5 N -5.04 4.57 -4.70 2.25 4.32 0.28 -4.75 117.00 113.94 2ied n LEU 5 Ca 0.12 -3.49 -0.42 0.00 -0.02 0.00 0.00 56.01 52.20 2ied n LEU 5 Cb 0.37 -0.65 -0.03 0.00 -1.62 0.00 0.00 43.42 41.50 2ied n LEU 5 CO 0.18 1.03 1.36 -0.62 -1.22 0.00 0.00 177.39 178.12 2ied s ASP 6 N -2.08 6.54 0.00 -1.43 2.15 -0.85 -0.38 116.67 120.62 2ied s ASP 6 Ca 0.46 2.60 0.00 0.00 0.43 0.00 0.00 52.55 56.04 2ied s ASP 6 Cb 0.40 -2.57 0.00 0.00 -0.30 0.00 0.00 42.92 40.45 2ied s ASP 6 CO 0.05 -0.92 0.00 0.61 -0.17 0.00 0.00 175.17 174.74 2ied n GLY 7 N 4.03 2.66 3.71 2.66 0.00 -1.17 -4.97 105.19 112.12 2ied n GLY 7 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2ied n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ied s LYS 8 N -0.55 4.35 -0.33 1.61 -0.14 0.49 -4.76 119.74 120.40 2ied s LYS 8 Ca 0.00 1.97 -0.16 0.00 -1.36 0.00 0.00 55.97 56.43 2ied s LYS 8 Cb 0.00 -3.32 -0.02 0.00 -1.68 0.00 0.00 37.83 32.81 2ied s LYS 8 CO 0.00 -0.41 0.40 1.03 -0.76 0.00 0.00 175.35 175.61 2ied s ARG 9 N 1.29 3.68 -0.09 1.68 0.52 -1.26 0.59 118.95 125.36 2ied s ARG 9 Ca 0.63 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 55.60 2ied s ARG 9 Cb -0.34 -3.77 0.01 0.00 0.52 0.00 0.00 34.95 31.37 2ied s ARG 9 CO 0.29 -0.50 -0.14 0.42 0.02 0.00 0.00 175.30 175.40 2ied s ILE 10 N 2.12 1.31 -0.00 1.52 1.01 0.19 0.14 121.20 127.48 2ied s ILE 10 Ca 0.14 -0.55 -0.21 0.00 0.00 0.00 0.00 60.65 60.03 2ied s ILE 10 Cb -0.16 -1.21 -0.05 0.00 0.01 0.00 0.00 42.46 41.05 2ied s ILE 10 CO 0.12 0.40 0.63 -0.22 0.00 0.00 0.00 174.94 175.87 2ied s LEU 11 N 0.89 4.41 -0.14 2.97 0.20 -0.46 -0.19 118.68 126.35 2ied s LEU 11 Ca -0.10 1.21 0.01 0.00 0.69 0.00 0.00 54.13 55.94 2ied s LEU 11 Cb -0.15 -2.98 0.02 0.00 -0.43 0.00 0.00 46.19 42.65 2ied s LEU 11 CO 0.01 0.07 -0.15 -0.69 -0.29 0.00 0.00 176.35 175.30 2ied s VAL 12 N -0.09 1.58 0.16 1.68 1.01 0.13 -0.32 120.40 124.55 2ied s VAL 12 Ca 0.33 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.71 2ied s VAL 12 Cb -0.18 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 2ied s VAL 12 CO 0.18 0.46 0.14 -0.94 0.00 0.00 0.00 175.10 174.94 2ied s SER 13 N 1.37 5.56 0.00 3.32 1.04 -0.22 -2.62 113.70 122.15 2ied s SER 13 Ca 0.03 -0.10 0.00 0.00 0.48 0.00 0.00 55.95 56.35 2ied s SER 13 Cb -0.13 -1.47 0.00 0.00 0.10 0.00 0.00 66.02 64.52 2ied s SER 13 CO -0.09 0.08 0.00 0.61 0.98 0.00 0.00 173.24 174.82 2ied n GLY 14 N -0.28 0.68 3.62 7.32 0.00 -1.26 -2.66 105.19 112.62 2ied n GLY 14 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2ied n GLY 14 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2ied s ILE 15 N -2.00 3.38 0.00 -0.61 1.01 -1.26 -4.73 121.20 116.98 2ied s ILE 15 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2ied s ILE 15 Cb 0.00 -3.42 0.00 0.00 0.01 0.00 0.00 42.46 39.05 2ied s ILE 15 CO 0.00 -0.21 0.10 0.00 0.00 0.00 0.00 174.94 174.84 2ied n ILE 16 N 6.85 0.00 -3.76 2.92 0.00 -1.26 -4.89 119.36 119.22 2ied n ILE 16 Ca 0.23 -0.12 -0.10 0.00 0.00 0.00 0.00 62.75 62.75 2ied n ILE 16 Cb 0.45 1.62 -0.05 0.00 0.00 0.00 0.00 39.64 41.66 2ied n ILE 16 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 176.55 175.66 2ied s THR 17 N -0.04 0.04 -2.22 9.51 2.01 -1.26 -4.96 115.64 118.72 2ied s THR 17 Ca 0.00 -0.86 0.20 0.00 0.31 0.00 0.00 61.69 61.33 2ied s THR 17 Cb 0.00 -1.55 0.45 0.00 0.01 0.00 0.00 72.50 71.41 2ied s THR 17 CO 0.00 -0.19 1.54 -0.90 -0.69 0.00 0.00 174.62 174.38 2ied n ASP 18 N -0.29 1.44 -0.00 3.53 5.68 -1.26 -3.95 116.55 121.69 2ied n ASP 18 Ca -0.11 -1.69 0.08 0.00 -0.50 0.00 0.00 54.79 52.57 2ied n ASP 18 Cb 0.63 -0.10 -0.10 0.00 -1.14 0.00 0.00 41.12 40.41 2ied n ASP 18 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 2ied n SER 19 N 0.18 0.84 -4.38 -1.12 3.41 -1.26 -4.85 113.62 106.44 2ied n SER 19 Ca 0.15 -0.72 -0.39 0.00 -0.26 0.00 0.00 58.87 57.66 2ied n SER 19 Cb 0.29 1.15 0.02 0.00 -0.26 0.00 0.00 64.21 65.41 2ied n SER 19 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2ied n SER 20 N -1.53 -2.00 -0.17 4.04 7.64 -1.25 -4.79 113.62 115.55 2ied n SER 20 Ca 0.02 0.73 -0.06 0.00 1.01 0.00 0.00 58.87 60.57 2ied n SER 20 Cb 0.29 -1.04 0.03 0.00 -1.01 0.00 0.00 64.21 62.49 2ied n SER 20 CO 0.00 0.00 0.00 0.40 -3.01 0.00 0.00 175.04 172.43 2ied h ILE 21 N 0.22 1.08 -0.34 0.44 2.04 -1.94 -1.34 117.51 117.67 2ied h ILE 21 Ca -0.43 -0.22 0.07 0.00 1.00 0.00 0.00 64.86 65.28 2ied h ILE 21 Cb 1.42 0.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.81 2ied h ILE 21 CO 0.46 0.12 -0.10 0.00 0.00 0.00 0.00 178.15 178.62 2ied h ALA 22 N 1.22 0.20 -0.30 1.87 0.00 -1.89 0.63 119.26 121.00 2ied h ALA 22 Ca 0.20 0.13 -0.06 0.00 0.00 0.00 0.00 54.91 55.18 2ied h ALA 22 Cb -0.01 0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2ied h ALA 22 CO -0.08 -0.48 -0.07 0.35 0.00 0.00 0.00 179.25 178.97 2ied h PHE 23 N -0.02 0.51 0.00 0.00 3.04 -1.75 -2.51 116.94 116.21 2ied h PHE 23 Ca 0.17 -0.06 -0.11 0.00 3.98 0.00 0.00 57.97 61.94 2ied h PHE 23 Cb 0.27 -0.14 -0.02 0.00 2.56 0.00 0.00 35.95 38.62 2ied h PHE 23 CO -0.33 0.56 -0.78 0.45 -2.02 0.00 0.00 178.31 176.19 2ied h HIS 24 N 0.46 0.00 -0.04 0.41 3.86 0.00 -1.70 115.15 118.14 2ied h HIS 24 Ca 0.09 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2ied h HIS 24 Cb 0.42 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.88 2ied h HIS 24 CO 0.01 0.47 0.02 0.82 0.86 0.00 0.00 177.93 180.11 2ied h ILE 25 N 0.00 1.09 -0.73 2.45 2.04 0.36 -0.76 117.51 121.96 2ied h ILE 25 Ca -0.05 -0.26 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2ied h ILE 25 Cb 1.40 1.19 -0.03 0.00 -0.74 0.00 0.00 36.82 38.64 2ied h ILE 25 CO 0.05 0.07 0.41 0.00 0.00 0.00 0.00 178.15 178.68 2ied h ALA 26 N 0.91 0.93 0.48 1.87 0.00 -1.35 0.51 119.26 122.61 2ied h ALA 26 Ca 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.79 2ied h ALA 26 Cb 0.10 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.60 2ied h ALA 26 CO -0.00 0.44 -0.23 -0.09 0.00 0.00 0.00 179.25 179.37 2ied h ARG 27 N 1.00 -0.62 -0.75 0.00 2.43 -1.18 0.31 114.38 115.57 2ied h ARG 27 Ca 0.26 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.45 2ied h ARG 27 Cb 0.02 0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2ied h ARG 27 CO -0.04 -0.38 0.40 0.28 -1.51 0.00 0.00 179.97 178.72 2ied h VAL 28 N -0.71 1.23 -0.45 0.20 2.07 -1.03 0.15 116.25 117.72 2ied h VAL 28 Ca -0.07 -0.59 0.06 0.00 0.82 0.00 0.00 66.70 66.92 2ied h VAL 28 Cb 0.53 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 30.49 2ied h VAL 28 CO 0.11 0.26 0.16 0.00 0.02 0.00 0.00 177.57 178.12 2ied h ALA 29 N 1.21 0.54 -0.61 1.67 0.00 0.17 -0.46 119.26 121.77 2ied h ALA 29 Ca 0.26 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.13 2ied h ALA 29 Cb 0.05 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2ied h ALA 29 CO -0.04 -0.23 0.01 1.96 0.00 0.00 0.00 179.25 180.95 2ied h GLN 30 N 0.33 1.07 0.00 0.00 4.20 -0.26 -0.07 115.11 120.38 2ied h GLN 30 Ca 0.21 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2ied h GLN 30 Cb 0.21 -0.10 -0.00 0.00 0.30 0.00 0.00 27.48 27.89 2ied h GLN 30 CO -0.22 1.03 -0.04 0.93 -0.67 0.00 0.00 178.83 179.87 2ied h GLU 31 N 0.98 0.00 -0.62 1.46 5.08 -0.31 -0.09 114.58 121.07 2ied h GLU 31 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 2ied h GLU 31 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 2ied h GLU 31 CO 0.03 0.04 0.00 1.04 -1.00 0.00 0.00 179.01 179.12 2ied n GLN 32 N -3.34 4.49 -0.30 2.33 1.13 -0.22 -4.90 117.38 116.57 2ied n GLN 32 Ca -0.02 -2.89 0.00 0.00 -1.94 0.00 0.00 57.00 52.15 2ied n GLN 32 Cb 0.17 -2.17 0.00 0.00 0.11 0.00 0.00 30.24 28.35 2ied n GLN 32 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ied n GLY 33 N 0.64 0.67 3.79 1.08 0.00 -0.05 -0.55 105.19 110.78 2ied n GLY 33 Ca 0.26 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.90 2ied n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ied s ALA 34 N -2.53 3.32 -0.23 4.61 0.00 -0.14 -3.04 121.76 123.76 2ied s ALA 34 Ca 0.00 0.39 -0.16 0.00 0.00 0.00 0.00 51.96 52.20 2ied s ALA 34 Cb 0.00 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.05 2ied s ALA 34 CO 0.00 0.24 0.41 -0.65 0.00 0.00 0.00 175.76 175.76 2ied s GLN 35 N -1.82 4.12 0.11 0.00 -1.52 0.20 -4.25 119.66 116.51 2ied s GLN 35 Ca 0.45 0.18 0.03 0.00 -1.95 0.00 0.00 55.36 54.07 2ied s GLN 35 Cb -0.19 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 28.98 2ied s GLN 35 CO 0.24 -0.14 0.16 -0.51 -0.25 0.00 0.00 175.29 174.79 2ied s LEU 36 N 1.64 4.02 -0.06 2.90 1.43 -1.26 -0.64 118.68 126.71 2ied s LEU 36 Ca 0.18 0.05 0.06 0.00 -1.03 0.00 0.00 54.13 53.39 2ied s LEU 36 Cb -0.15 -2.65 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2ied s LEU 36 CO 0.09 0.12 -0.24 -0.69 0.23 0.00 0.00 176.35 175.85 2ied s VAL 37 N -1.59 2.11 0.25 -1.59 1.01 0.73 -4.14 120.40 117.18 2ied s VAL 37 Ca 0.32 -1.04 0.11 0.00 0.00 0.00 0.00 61.98 61.36 2ied s VAL 37 Cb -0.12 -1.77 -0.05 0.00 0.00 0.00 0.00 36.38 34.45 2ied s VAL 37 CO 0.25 0.57 -0.12 -0.76 0.00 0.00 0.00 175.10 175.04 2ied s LEU 38 N -0.11 2.86 0.06 3.92 1.43 0.45 0.22 118.68 127.51 2ied s LEU 38 Ca -0.05 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.26 2ied s LEU 38 Cb -0.14 -1.41 -0.03 0.00 0.03 0.00 0.00 46.19 44.64 2ied s LEU 38 CO 0.04 0.04 -0.08 0.42 0.23 0.00 0.00 176.35 177.00 2ied s THR 39 N -2.25 0.60 0.29 5.49 -4.23 -1.08 0.12 115.64 114.58 2ied s THR 39 Ca 0.29 -1.26 -0.19 0.00 -1.18 0.00 0.00 61.69 59.35 2ied s THR 39 Cb -0.06 -0.85 0.02 0.00 1.34 0.00 0.00 72.50 72.95 2ied s THR 39 CO 0.16 -0.47 0.70 -0.83 -0.54 0.00 0.00 174.62 173.64 2ied s GLY 40 N -1.88 0.07 0.00 3.99 0.00 -0.85 -3.98 107.32 104.67 2ied s GLY 40 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.22 2ied s GLY 40 CO -0.00 -0.19 0.00 0.33 0.00 0.00 0.00 173.10 173.23 2ied n PHE 41 N -0.46 0.00 0.00 1.90 7.35 -1.26 -0.89 117.46 124.10 2ied n PHE 41 Ca -0.04 0.00 -0.22 0.00 -0.76 0.00 0.00 57.45 56.43 2ied n PHE 41 Cb 0.59 0.00 -0.14 0.00 0.35 0.00 0.00 39.48 40.29 2ied n PHE 41 CO 0.00 0.00 0.00 0.38 -0.76 0.00 0.00 176.76 176.38 2ied h ASP 42 N 0.00 0.39 -0.85 -2.13 -0.00 -2.02 -3.38 116.42 108.42 2ied h ASP 42 Ca 0.00 -0.87 -0.63 0.00 -0.00 0.00 0.00 57.03 55.53 2ied h ASP 42 Cb 0.00 -0.13 -0.11 0.00 -0.00 0.00 0.00 39.33 39.10 2ied h ASP 42 CO 0.00 1.74 1.96 0.54 -0.00 0.00 0.00 179.24 183.49 2ied n ARG 43 N -3.74 3.74 -0.00 4.15 1.74 -1.26 -4.69 116.66 116.60 2ied n ARG 43 Ca -0.29 -2.80 -0.07 0.00 -0.77 0.00 0.00 57.85 53.92 2ied n ARG 43 Cb 0.97 -2.50 0.10 0.00 -1.02 0.00 0.00 32.46 30.01 2ied n ARG 43 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2ied h LEU 44 N 5.39 0.59 -0.22 0.55 5.85 -1.96 0.16 115.31 125.67 2ied h LEU 44 Ca 0.62 -0.27 -0.03 0.00 0.84 0.00 0.00 57.88 59.04 2ied h LEU 44 Cb 0.49 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2ied h LEU 44 CO 1.29 0.94 0.00 0.03 -0.34 0.00 0.00 178.44 180.36 2ied h ARG 45 N 0.45 0.39 -0.25 1.25 2.47 -1.96 0.66 114.38 117.39 2ied h ARG 45 Ca 0.03 -0.12 -0.06 0.00 -1.26 0.00 0.00 59.98 58.57 2ied h ARG 45 Cb 0.94 -0.04 -0.01 0.00 -1.65 0.00 0.00 29.97 29.20 2ied h ARG 45 CO 0.08 0.57 -0.11 -0.07 0.56 0.00 0.00 179.97 181.01 2ied h LEU 46 N 0.16 0.38 0.09 3.04 -0.00 -1.89 0.71 115.31 117.80 2ied h LEU 46 Ca 0.06 -0.09 -0.29 0.00 -0.00 0.00 0.00 57.88 57.56 2ied h LEU 46 Cb 0.39 -0.10 0.03 0.00 -0.00 0.00 0.00 40.66 40.98 2ied h LEU 46 CO 0.01 0.53 -1.21 0.40 -0.00 0.00 0.00 178.44 178.17 2ied h ILE 47 N 0.38 1.29 -0.27 1.22 2.04 -0.59 -2.43 117.51 119.15 2ied h ILE 47 Ca 0.07 -2.46 -0.07 0.00 1.00 0.00 0.00 64.86 63.41 2ied h ILE 47 Cb 0.43 2.65 -0.02 0.00 -0.74 0.00 0.00 36.82 39.14 2ied h ILE 47 CO 0.02 0.75 -0.12 -0.61 0.00 0.00 0.00 178.15 178.19 2ied h GLN 48 N 0.28 0.45 0.51 2.37 4.15 -0.55 -1.33 115.11 120.99 2ied h GLN 48 Ca -0.18 -0.12 -0.01 0.00 0.77 0.00 0.00 58.65 59.11 2ied h GLN 48 Cb 1.88 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 29.50 2ied h GLN 48 CO 0.23 0.57 -0.47 -0.09 -1.93 0.00 0.00 178.83 177.15 2ied h ARG 49 N 0.42 -0.93 -0.55 1.69 1.12 -0.90 -2.35 114.38 112.87 2ied h ARG 49 Ca 0.08 0.06 0.08 0.00 -1.11 0.00 0.00 59.98 59.09 2ied h ARG 49 Cb 0.47 0.21 -0.07 0.00 -0.01 0.00 0.00 29.97 30.58 2ied h ARG 49 CO 0.03 -0.62 0.19 0.82 -3.11 0.00 0.00 179.97 177.28 2ied h ILE 50 N -0.97 0.79 0.00 1.20 1.08 -0.94 -0.60 117.51 118.07 2ied h ILE 50 Ca -0.06 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.28 2ied h ILE 50 Cb 0.84 0.39 0.00 0.00 -3.07 0.00 0.00 36.82 34.98 2ied h ILE 50 CO -0.04 0.07 0.00 0.71 -0.69 0.00 0.00 178.15 178.20 2ied h THR 51 N 0.37 0.00 0.00 -0.27 1.35 -1.20 -0.73 112.91 112.44 2ied h THR 51 Ca 0.27 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 2ied h THR 51 Cb 0.32 1.10 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 2ied h THR 51 CO -0.28 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 175.43 2ied h ASP 52 N 0.00 0.00 1.12 5.36 3.32 -0.54 -1.99 116.42 123.69 2ied h ASP 52 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ied h ASP 52 Cb 0.44 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.99 2ied h ASP 52 CO 0.00 0.00 0.00 -1.14 -1.72 0.00 0.00 179.24 176.38 2ied n ARG 53 N -2.92 0.20 -2.33 3.56 0.63 -0.28 -4.79 116.66 110.73 2ied n ARG 53 Ca 0.01 0.27 -0.37 0.00 -0.92 0.00 0.00 57.85 56.85 2ied n ARG 53 Cb 0.32 -1.79 -0.02 0.00 0.45 0.00 0.00 32.46 31.42 2ied n ARG 53 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2ied s LEU 54 N -4.32 4.04 0.41 6.15 1.43 -0.75 -4.94 118.68 120.70 2ied s LEU 54 Ca 0.08 2.24 0.14 0.00 -1.03 0.00 0.00 54.13 55.56 2ied s LEU 54 Cb 0.12 -4.23 0.85 0.00 0.03 0.00 0.00 46.19 42.96 2ied s LEU 54 CO 0.50 -0.82 1.90 1.55 0.23 0.00 0.00 176.35 179.72 2ied h PRO 55 N 2.14 0.00 -6.27 1.29 0.13 -1.86 -3.43 132.00 124.00 2ied h PRO 55 Ca -0.49 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.03 2ied h PRO 55 Cb 1.24 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.23 2ied h PRO 55 CO 0.61 0.29 -0.76 0.00 -0.23 0.00 0.00 178.00 177.91 2ied s ALA 56 N -4.38 2.76 0.29 -0.56 0.00 -1.26 -5.11 121.76 113.50 2ied s ALA 56 Ca -0.03 -1.81 -0.29 0.00 0.00 0.00 0.00 51.96 49.82 2ied s ALA 56 Cb 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 23.12 22.84 2ied s ALA 56 CO 0.71 0.30 1.26 0.21 0.00 0.00 0.00 175.76 178.24 2ied s LYS 57 N -3.39 4.43 0.00 0.00 2.47 -1.26 -4.96 119.74 117.04 2ied s LYS 57 Ca 0.29 2.08 0.00 0.00 -1.56 0.00 0.00 55.97 56.78 2ied s LYS 57 Cb -0.06 -3.13 -0.00 0.00 -1.46 0.00 0.00 37.83 33.18 2ied s LYS 57 CO 0.15 -0.11 -0.01 0.00 0.16 0.00 0.00 175.35 175.54 2ied s ALA 58 N -0.84 0.03 0.28 3.13 0.00 -1.26 -4.71 121.76 118.39 2ied s ALA 58 Ca 0.50 -0.07 -0.30 0.00 0.00 0.00 0.00 51.96 52.08 2ied s ALA 58 Cb -0.37 0.01 -0.12 0.00 0.00 0.00 0.00 23.12 22.64 2ied s ALA 58 CO 0.47 -0.01 1.62 -0.35 0.00 0.00 0.00 175.76 177.48 2ied n PRO 59 N 2.92 2.72 -3.76 0.00 -0.04 -1.26 -4.82 135.00 130.76 2ied n PRO 59 Ca -0.13 0.97 -0.36 0.00 -0.04 0.00 0.00 63.50 63.94 2ied n PRO 59 Cb 0.59 -2.76 -0.10 0.00 -0.04 0.00 0.00 33.50 31.19 2ied n PRO 59 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2ied s LEU 60 N -0.26 3.99 0.21 1.53 2.96 -1.26 -0.41 118.68 125.44 2ied s LEU 60 Ca 0.65 0.08 0.10 0.00 -0.22 0.00 0.00 54.13 54.74 2ied s LEU 60 Cb -0.50 -2.05 -0.04 0.00 0.50 0.00 0.00 46.19 44.10 2ied s LEU 60 CO 0.46 0.09 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.73 2ied s LEU 61 N 0.89 2.95 0.07 -0.68 1.43 0.32 -4.94 118.68 118.72 2ied s LEU 61 Ca 0.06 -0.66 -0.21 0.00 -1.03 0.00 0.00 54.13 52.29 2ied s LEU 61 Cb -0.13 -1.58 -0.07 0.00 0.03 0.00 0.00 46.19 44.44 2ied s LEU 61 CO 0.03 0.07 0.63 -0.70 0.23 0.00 0.00 176.35 176.61 2ied s GLU 62 N -3.08 4.32 -0.34 1.70 2.12 -1.26 -2.00 118.70 120.16 2ied s GLU 62 Ca 0.27 0.84 0.07 0.00 0.36 0.00 0.00 54.97 56.51 2ied s GLU 62 Cb -0.08 -3.27 0.19 0.00 0.26 0.00 0.00 34.13 31.23 2ied s GLU 62 CO 0.16 0.54 0.61 -1.17 -0.54 0.00 0.00 175.26 174.86 2ied s LEU 63 N -0.84 -1.60 -0.53 2.70 2.96 -0.06 -4.86 118.68 116.45 2ied s LEU 63 Ca 0.31 -0.21 -0.24 0.00 -0.22 0.00 0.00 54.13 53.78 2ied s LEU 63 Cb -0.20 2.01 0.04 0.00 0.50 0.00 0.00 46.19 48.54 2ied s LEU 63 CO 0.20 -0.25 0.91 -0.62 -1.32 0.00 0.00 176.35 175.28 2ied s ASP 64 N 2.43 6.36 0.41 3.68 3.68 -1.26 -4.16 116.67 127.80 2ied s ASP 64 Ca 0.12 -0.30 0.29 0.00 2.13 0.00 0.00 52.55 54.79 2ied s ASP 64 Cb -0.08 -2.43 1.27 0.00 -1.45 0.00 0.00 42.92 40.24 2ied s ASP 64 CO -0.18 -1.16 1.86 -0.37 0.13 0.00 0.00 175.17 175.45 2ied h VAL 65 N 6.02 0.00 0.00 1.11 -1.51 -1.97 0.62 116.25 120.52 2ied h VAL 65 Ca -0.26 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 64.93 2ied h VAL 65 Cb 1.08 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2ied h VAL 65 CO 1.06 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 177.40 2ied n GLN 66 N -2.61 0.92 -4.03 5.19 6.02 -1.26 -4.66 117.38 116.95 2ied n GLN 66 Ca 0.01 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2ied n GLN 66 Cb 0.22 -1.03 -0.15 0.00 1.02 0.00 0.00 30.24 30.30 2ied n GLN 66 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 2ied s ASN 67 N -1.13 4.71 0.50 1.08 3.04 0.22 -4.97 114.94 118.39 2ied s ASN 67 Ca 0.03 -2.00 0.24 0.00 0.04 0.00 0.00 52.86 51.16 2ied s ASN 67 Cb 0.01 -1.62 1.33 0.00 -1.54 0.00 0.00 41.25 39.43 2ied s ASN 67 CO 0.02 -0.34 1.95 -0.33 -3.04 0.00 0.00 177.10 175.36 2ied h GLU 68 N 7.65 0.10 -0.21 0.43 4.39 -1.83 0.69 114.58 125.81 2ied h GLU 68 Ca -0.07 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2ied h GLU 68 Cb 1.02 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.64 2ied h GLU 68 CO 0.51 0.07 0.05 0.93 -1.16 0.00 0.00 179.01 179.40 2ied h GLU 69 N 0.11 0.34 -0.12 2.33 5.08 -1.93 0.59 114.58 120.97 2ied h GLU 69 Ca 0.32 -0.09 0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2ied h GLU 69 Cb 1.12 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 2ied h GLU 69 CO -0.04 0.47 -0.11 0.45 -1.00 0.00 0.00 179.01 178.78 2ied h HIS 70 N 0.15 -0.28 -0.40 4.33 3.86 -1.22 -2.77 115.15 118.83 2ied h HIS 70 Ca 0.07 0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.32 2ied h HIS 70 Cb 0.29 0.14 -0.03 0.00 1.06 0.00 0.00 27.41 28.87 2ied h HIS 70 CO 0.01 -0.17 0.20 -0.07 0.86 0.00 0.00 177.93 178.76 2ied h LEU 71 N -0.13 0.29 -6.13 2.43 -0.00 -1.06 -0.31 115.31 110.39 2ied h LEU 71 Ca 0.08 0.02 -0.75 0.00 -0.00 0.00 0.00 57.88 57.24 2ied h LEU 71 Cb 0.26 -0.03 -0.13 0.00 -0.00 0.00 0.00 40.66 40.75 2ied h LEU 71 CO -0.20 0.21 2.30 0.00 -0.00 0.00 0.00 178.44 180.74 2ied n ALA 72 N -2.29 5.86 0.00 1.53 0.00 0.21 -2.61 120.51 123.21 2ied n ALA 72 Ca 0.02 -4.19 0.00 0.00 0.00 0.00 0.00 53.44 49.27 2ied n ALA 72 Cb 0.10 -2.99 0.00 0.00 0.00 0.00 0.00 19.45 16.56 2ied n ALA 72 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2ied n SER 73 N 3.47 0.00 -0.18 0.00 2.88 -1.25 -4.84 113.62 113.69 2ied n SER 73 Ca 0.48 0.00 -0.08 0.00 -1.33 0.00 0.00 58.87 57.94 2ied n SER 73 Cb 0.33 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.76 2ied n SER 73 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2ied h LEU 74 N 0.00 -1.40 -0.80 2.46 6.46 -0.79 -1.64 115.31 119.61 2ied h LEU 74 Ca 0.00 0.23 0.14 0.00 -0.12 0.00 0.00 57.88 58.14 2ied h LEU 74 Cb 0.00 0.64 -0.09 0.00 -0.73 0.00 0.00 40.66 40.48 2ied h LEU 74 CO 0.00 -0.34 0.37 0.00 -0.62 0.00 0.00 178.44 177.85 2ied h ALA 75 N 0.65 1.16 0.02 1.25 0.00 -1.77 0.31 119.26 120.88 2ied h ALA 75 Ca 0.18 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ied h ALA 75 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2ied h ALA 75 CO -0.65 -0.15 -0.04 0.78 0.00 0.00 0.00 179.25 179.19 2ied h GLY 76 N 0.53 -0.06 1.88 0.00 0.00 -1.71 -0.44 103.07 103.28 2ied h GLY 76 Ca 0.44 0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.80 2ied h GLY 76 CO -0.38 -0.05 -0.02 3.21 0.00 0.00 0.00 176.54 179.31 2ied h ARG 77 N -0.08 0.15 -0.12 4.80 3.08 -0.61 -0.73 114.38 120.87 2ied h ARG 77 Ca 0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.90 2ied h ARG 77 Cb 0.09 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.12 2ied h ARG 77 CO -0.03 0.18 -0.49 0.28 -1.07 0.00 0.00 179.97 178.84 2ied h VAL 78 N 0.15 1.36 -0.90 2.04 2.07 -0.09 -2.02 116.25 118.86 2ied h VAL 78 Ca 0.04 -1.80 0.03 0.00 0.82 0.00 0.00 66.70 65.79 2ied h VAL 78 Cb 0.14 2.14 -0.05 0.00 -1.52 0.00 0.00 31.29 32.00 2ied h VAL 78 CO 0.00 0.54 0.59 0.74 0.02 0.00 0.00 177.57 179.47 2ied h THR 79 N 0.15 1.17 -0.57 2.57 2.02 -0.81 0.87 112.91 118.31 2ied h THR 79 Ca -0.03 -0.40 0.05 0.00 0.77 0.00 0.00 66.41 66.80 2ied h THR 79 Cb 1.13 -0.09 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 2ied h THR 79 CO 0.10 0.21 0.31 -0.33 0.37 0.00 0.00 175.52 176.18 2ied h GLU 80 N 1.15 0.56 0.00 6.66 5.08 -0.94 1.83 114.58 128.93 2ied h GLU 80 Ca 0.36 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.53 2ied h GLU 80 Cb -0.02 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2ied h GLU 80 CO -0.11 0.37 -0.74 0.00 -1.00 0.00 0.00 179.01 177.53 2ied h ALA 81 N 1.30 0.54 0.00 3.43 0.00 -0.73 -3.25 119.26 120.55 2ied h ALA 81 Ca 0.25 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2ied h ALA 81 Cb 0.15 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.82 2ied h ALA 81 CO -0.16 0.93 -1.39 0.44 0.00 0.00 0.00 179.25 179.06 2ied n ILE 82 N -3.31 0.00 0.00 0.00 -5.35 0.24 -4.95 119.36 105.99 2ied n ILE 82 Ca 0.01 -0.22 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2ied n ILE 82 Cb 0.82 0.57 0.00 0.00 -1.74 0.00 0.00 39.64 39.29 2ied n ILE 82 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ied n GLY 83 N 1.41 1.85 3.61 3.28 0.00 0.62 -4.70 105.19 111.26 2ied n GLY 83 Ca 0.00 -1.43 -0.54 0.00 0.00 0.00 0.00 46.02 44.05 2ied n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ied n ALA 84 N 2.73 -1.09 -0.80 4.61 0.00 -1.19 -0.47 120.51 124.30 2ied n ALA 84 Ca 0.00 0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.94 2ied n ALA 84 Cb 0.00 -2.07 0.00 0.00 0.00 0.00 0.00 19.45 17.38 2ied n ALA 84 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ied n GLY 85 N 2.82 0.76 3.84 0.00 0.00 -1.26 -5.02 105.19 106.33 2ied n GLY 85 Ca 0.21 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 2ied n GLY 85 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ied s ASN 86 N -2.54 6.56 0.31 1.61 0.01 0.38 -5.10 114.94 116.16 2ied s ASN 86 Ca 0.00 0.66 0.09 0.00 -0.71 0.00 0.00 52.86 52.91 2ied s ASN 86 Cb 0.00 -2.16 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 2ied s ASN 86 CO 0.00 0.33 -0.00 -0.54 -1.51 0.00 0.00 177.10 175.38 2ied s LYS 87 N -0.83 2.14 0.43 -0.60 1.02 -1.26 -4.83 119.74 115.81 2ied s LYS 87 Ca 0.18 -1.61 -0.23 0.00 0.02 0.00 0.00 55.97 54.33 2ied s LYS 87 Cb -0.14 -2.02 -0.09 0.00 -0.52 0.00 0.00 37.83 35.06 2ied s LYS 87 CO 0.08 0.23 1.05 -0.51 -0.92 0.00 0.00 175.35 175.28 2ied s LEU 88 N -3.69 4.05 -0.01 3.17 1.43 0.14 -4.65 118.68 119.11 2ied s LEU 88 Ca 0.33 2.01 0.12 0.00 -1.03 0.00 0.00 54.13 55.56 2ied s LEU 88 Cb -0.03 -4.30 -0.17 0.00 0.03 0.00 0.00 46.19 41.71 2ied s LEU 88 CO 0.19 -0.59 0.32 0.47 0.23 0.00 0.00 176.35 176.98 2ied n ASP 89 N -0.36 1.82 -3.81 2.29 8.00 0.37 -0.04 116.55 124.82 2ied n ASP 89 Ca 0.06 -0.19 -0.12 0.00 0.71 0.00 0.00 54.79 55.25 2ied n ASP 89 Cb 0.50 1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 42.92 2ied n ASP 89 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 2ied s GLY 90 N -3.07 -0.07 -0.04 0.44 0.00 -0.88 -0.56 107.32 103.14 2ied s GLY 90 Ca -0.02 0.17 0.01 0.00 0.00 0.00 0.00 44.72 44.88 2ied s GLY 90 CO 0.50 0.01 -0.04 0.14 0.00 0.00 0.00 173.10 173.70 2ied s VAL 91 N -1.16 0.51 -0.21 1.40 1.01 0.51 -1.36 120.40 121.09 2ied s VAL 91 Ca -0.12 -0.11 -0.03 0.00 0.00 0.00 0.00 61.98 61.72 2ied s VAL 91 Cb -0.06 -0.54 -0.01 0.00 0.00 0.00 0.00 36.38 35.78 2ied s VAL 91 CO 0.03 0.22 -0.07 -0.69 0.00 0.00 0.00 175.10 174.58 2ied s VAL 92 N 0.89 3.20 -0.38 2.92 1.01 0.56 -0.21 120.40 128.40 2ied s VAL 92 Ca -0.12 -0.56 -0.15 0.00 0.00 0.00 0.00 61.98 61.15 2ied s VAL 92 Cb -0.14 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.80 2ied s VAL 92 CO 0.00 0.45 0.36 -2.28 0.00 0.00 0.00 175.10 173.62 2ied s HIS 93 N 1.35 3.21 -0.28 5.22 2.46 0.39 -1.06 115.29 126.57 2ied s HIS 93 Ca 0.04 -0.25 0.15 0.00 0.47 0.00 0.00 55.06 55.47 2ied s HIS 93 Cb -0.14 -2.69 0.48 0.00 -0.13 0.00 0.00 32.58 30.10 2ied s HIS 93 CO -0.04 -0.53 1.14 0.00 -2.47 0.00 0.00 174.74 172.85 2ied n ALA 94 N 5.37 3.84 -2.93 1.58 0.00 -1.09 -1.96 120.51 125.32 2ied n ALA 94 Ca -0.09 -3.30 -0.37 0.00 0.00 0.00 0.00 53.44 49.68 2ied n ALA 94 Cb 0.48 -0.61 -0.12 0.00 0.00 0.00 0.00 19.45 19.21 2ied n ALA 94 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2ied s ILE 95 N -4.22 4.58 -0.10 0.00 1.01 -1.26 -4.40 121.20 116.81 2ied s ILE 95 Ca 0.39 -0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.87 2ied s ILE 95 Cb 0.37 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.73 2ied s ILE 95 CO -0.01 0.33 0.27 -0.83 0.00 0.00 0.00 174.94 174.71 2ied s GLY 96 N 1.50 -0.20 -0.30 6.18 0.00 -1.26 -4.39 107.32 108.85 2ied s GLY 96 Ca 0.06 0.78 -0.16 0.00 0.00 0.00 0.00 44.72 45.40 2ied s GLY 96 CO 0.05 0.71 1.06 -0.12 0.00 0.00 0.00 173.10 174.79 2ied s PHE 97 N 0.24 -0.50 -0.12 1.90 5.36 -1.26 -4.94 117.98 118.65 2ied s PHE 97 Ca -0.01 0.91 0.03 0.00 -0.96 0.00 0.00 56.93 56.90 2ied s PHE 97 Cb -0.03 0.30 0.01 0.00 -0.34 0.00 0.00 43.02 42.96 2ied s PHE 97 CO -0.00 -0.25 -0.21 1.41 -1.46 0.00 0.00 175.22 174.71 2ied s MET 98 N 2.01 2.86 0.62 10.12 -2.45 -1.26 -4.15 119.30 127.05 2ied s MET 98 Ca -0.04 -0.80 -0.18 0.00 -1.25 0.00 0.00 55.69 53.42 2ied s MET 98 Cb -0.04 -2.28 -0.05 0.00 1.25 0.00 0.00 34.83 33.71 2ied s MET 98 CO -0.16 0.03 0.83 -2.30 1.05 0.00 0.00 175.02 174.47 2ied n PRO 99 N 3.94 0.70 -0.11 4.11 -0.02 -1.26 -4.81 135.00 137.56 2ied n PRO 99 Ca -0.20 0.28 0.15 0.00 -2.02 0.00 0.00 63.50 61.71 2ied n PRO 99 Cb 0.52 -2.05 0.53 0.00 -0.02 0.00 0.00 33.50 32.49 2ied n PRO 99 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2ied h GLN 100 N 0.25 0.33 0.00 -0.52 4.20 -1.98 0.10 115.11 117.50 2ied h GLN 100 Ca -0.48 -0.02 -0.02 0.00 0.06 0.00 0.00 58.65 58.19 2ied h GLN 100 Cb 1.37 -0.08 -0.00 0.00 0.30 0.00 0.00 27.48 29.07 2ied h GLN 100 CO 0.49 0.22 -0.11 0.00 -0.67 0.00 0.00 178.83 178.76 2ied h THR 101 N 0.34 0.85 -0.41 -0.54 1.03 -1.96 -1.79 112.91 110.44 2ied h THR 101 Ca 0.32 -0.40 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 2ied h THR 101 Cb 0.76 1.23 0.00 0.00 -1.07 0.00 0.00 68.15 69.07 2ied h THR 101 CO -0.08 0.11 0.00 0.61 -0.01 0.00 0.00 175.52 176.14 2ied n GLY 102 N -1.05 1.12 3.41 2.99 0.00 0.36 -3.75 105.19 108.27 2ied n GLY 102 Ca -0.02 -0.53 -0.11 0.00 0.00 0.00 0.00 46.02 45.36 2ied n GLY 102 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2ied s MET 103 N -1.46 1.45 2.13 1.61 1.00 -0.67 -0.60 119.30 122.75 2ied s MET 103 Ca 0.33 -1.48 0.00 0.00 0.00 0.00 0.00 55.69 54.54 2ied s MET 103 Cb 0.18 0.38 0.00 0.00 0.00 0.00 0.00 34.83 35.39 2ied s MET 103 CO 0.24 -0.55 0.00 0.41 0.00 0.00 0.00 175.02 175.11 2ied n GLY 104 N -0.36 0.48 0.11 -0.03 0.00 0.31 -3.26 105.19 102.44 2ied n GLY 104 Ca 0.00 0.74 -0.14 0.00 0.00 0.00 0.00 46.02 46.63 2ied n GLY 104 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2ied n ILE 105 N 0.00 1.55 -1.81 -0.61 3.06 -1.26 -3.94 119.36 116.34 2ied n ILE 105 Ca 0.00 -0.74 -0.42 0.00 -2.50 0.00 0.00 62.75 59.10 2ied n ILE 105 Cb 0.00 -1.08 -0.02 0.00 0.54 0.00 0.00 39.64 39.07 2ied n ILE 105 CO 0.00 0.00 0.00 0.21 -2.50 0.00 0.00 176.55 174.26 2ied s ASN 106 N -6.19 6.43 0.71 9.51 2.47 -1.20 -4.90 114.94 121.77 2ied s ASN 106 Ca -0.17 2.85 -0.16 0.00 0.42 0.00 0.00 52.86 55.79 2ied s ASN 106 Cb 0.07 -2.62 -0.06 0.00 -1.45 0.00 0.00 41.25 37.20 2ied s ASN 106 CO 0.76 -0.90 0.41 -2.65 -3.72 0.00 0.00 177.10 171.01 2ied n PRO 107 N 3.01 0.27 -0.32 0.43 -0.02 -1.26 -4.72 135.00 132.40 2ied n PRO 107 Ca 0.11 0.13 0.07 0.00 -2.02 0.00 0.00 63.50 61.79 2ied n PRO 107 Cb 0.37 -1.71 0.23 0.00 -0.02 0.00 0.00 33.50 32.37 2ied n PRO 107 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 2ied h PHE 108 N -0.33 0.94 -0.07 6.00 3.04 -1.90 -2.54 116.94 122.08 2ied h PHE 108 Ca -0.45 0.03 -0.06 0.00 3.98 0.00 0.00 57.97 61.47 2ied h PHE 108 Cb 1.36 -0.28 -0.01 0.00 2.56 0.00 0.00 35.95 39.57 2ied h PHE 108 CO 0.33 0.31 -0.24 0.74 -2.02 0.00 0.00 178.31 177.43 2ied h PHE 109 N 0.79 0.12 -0.01 0.41 0.04 -1.93 -3.21 116.94 113.16 2ied h PHE 109 Ca 0.47 -0.02 0.00 0.00 2.80 0.00 0.00 57.97 61.23 2ied h PHE 109 Cb 0.57 -0.03 0.00 0.00 2.20 0.00 0.00 35.95 38.69 2ied h PHE 109 CO -0.05 0.34 -0.10 -0.25 -0.60 0.00 0.00 178.31 177.66 2ied n ASP 110 N -4.22 0.73 -4.63 2.17 10.43 -0.96 -4.83 116.55 115.24 2ied n ASP 110 Ca -0.02 -0.89 -0.43 0.00 2.57 0.00 0.00 54.79 56.03 2ied n ASP 110 Cb 0.32 -0.01 -0.02 0.00 1.84 0.00 0.00 41.12 43.24 2ied n ASP 110 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2ied s ALA 111 N -2.31 3.31 0.70 2.24 0.00 -1.21 -4.97 121.76 119.51 2ied s ALA 111 Ca 0.33 0.29 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 2ied s ALA 111 Cb 0.20 -3.82 0.02 0.00 0.00 0.00 0.00 23.12 19.53 2ied s ALA 111 CO 0.44 -1.87 1.16 -2.14 0.00 0.00 0.00 175.76 173.34 2ied s PRO 112 N 4.44 2.45 0.47 0.00 0.02 -1.26 -4.78 135.00 136.34 2ied s PRO 112 Ca 0.64 1.58 0.22 0.00 0.02 0.00 0.00 61.00 63.46 2ied s PRO 112 Cb -0.21 -1.89 1.19 0.00 0.02 0.00 0.00 34.50 33.61 2ied s PRO 112 CO 0.26 -1.56 2.00 -0.92 -0.33 0.00 0.00 177.00 176.45 2ied h TYR 113 N -0.14 0.00 -0.08 6.54 3.20 -1.98 -1.09 116.97 123.43 2ied h TYR 113 Ca -0.47 0.00 -0.06 0.00 3.14 0.00 0.00 58.73 61.34 2ied h TYR 113 Cb 1.27 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 2ied h TYR 113 CO 0.51 0.19 -0.24 0.00 -1.64 0.00 0.00 178.16 176.97 2ied h ALA 114 N 1.81 1.45 -0.09 1.82 0.00 -1.98 2.07 119.26 124.35 2ied h ALA 114 Ca -0.00 -0.26 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2ied h ALA 114 Cb 0.41 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2ied h ALA 114 CO 0.02 0.39 -0.32 -0.44 0.00 0.00 0.00 179.25 178.91 2ied h ASP 115 N 0.12 0.44 0.14 0.00 3.45 -1.56 -2.10 116.42 116.91 2ied h ASP 115 Ca 0.02 -0.62 -0.00 0.00 0.43 0.00 0.00 57.03 56.86 2ied h ASP 115 Cb 0.50 -0.13 -0.00 0.00 -0.56 0.00 0.00 39.33 39.14 2ied h ASP 115 CO 0.04 0.98 -0.08 0.58 -1.57 0.00 0.00 179.24 179.19 2ied h VAL 116 N -0.07 0.83 -0.73 -1.35 2.07 -0.76 0.74 116.25 116.97 2ied h VAL 116 Ca -0.01 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.64 2ied h VAL 116 Cb 0.95 0.83 -0.09 0.00 -1.52 0.00 0.00 31.29 31.46 2ied h VAL 116 CO 0.07 0.00 0.30 -1.28 0.02 0.00 0.00 177.57 176.68 2ied h SER 117 N -0.21 0.30 -0.29 0.57 0.87 0.33 0.77 113.55 115.88 2ied h SER 117 Ca -0.01 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2ied h SER 117 Cb 0.18 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2ied h SER 117 CO 0.02 0.13 0.09 0.50 -0.53 0.00 0.00 176.83 177.03 2ied h LYS 118 N 0.46 0.46 -0.82 2.24 3.64 -0.96 0.70 116.57 122.29 2ied h LYS 118 Ca 0.39 -0.10 0.02 0.00 -1.27 0.00 0.00 60.65 59.69 2ied h LYS 118 Cb 0.56 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.28 2ied h LYS 118 CO -0.37 0.52 0.54 0.78 -2.27 0.00 0.00 179.45 178.65 2ied h GLY 119 N 0.31 1.15 1.46 5.01 0.00 0.36 -1.16 103.07 110.20 2ied h GLY 119 Ca 0.09 -0.42 -0.22 0.00 0.00 0.00 0.00 47.33 46.78 2ied h GLY 119 CO -0.00 0.39 -0.89 -2.22 0.00 0.00 0.00 176.54 173.82 2ied h ILE 120 N 1.07 1.36 -0.14 2.60 2.04 -0.76 0.46 117.51 124.15 2ied h ILE 120 Ca 0.31 -2.28 0.03 0.00 1.00 0.00 0.00 64.86 63.92 2ied h ILE 120 Cb -0.06 2.28 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 2ied h ILE 120 CO -0.08 0.69 -0.07 -0.74 0.00 0.00 0.00 178.15 177.96 2ied h HIS 121 N 0.31 -0.16 0.03 1.37 2.76 -0.33 0.43 115.15 119.56 2ied h HIS 121 Ca -0.07 0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 57.95 2ied h HIS 121 Cb 1.51 0.09 0.01 0.00 1.55 0.00 0.00 27.41 30.58 2ied h HIS 121 CO 0.07 -0.11 -0.66 0.82 -1.30 0.00 0.00 177.93 176.74 2ied h ILE 122 N -0.06 1.44 0.06 6.26 2.04 -1.07 -1.52 117.51 124.66 2ied h ILE 122 Ca 0.08 -2.19 -0.24 0.00 1.00 0.00 0.00 64.86 63.51 2ied h ILE 122 Cb 0.17 2.74 -0.01 0.00 -0.74 0.00 0.00 36.82 38.98 2ied h ILE 122 CO -0.17 0.63 -1.10 0.28 0.00 0.00 0.00 178.15 177.79 2ied h SER 123 N -0.16 0.23 0.00 1.72 0.02 -0.11 -3.39 113.55 111.86 2ied h SER 123 Ca -0.09 -0.24 0.00 0.00 -0.84 0.00 0.00 61.79 60.62 2ied h SER 123 Cb 1.40 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.87 2ied h SER 123 CO 0.13 1.16 -0.37 0.00 -1.14 0.00 0.00 176.83 176.61 2ied n ALA 124 N -2.45 3.00 0.08 3.77 0.00 -0.28 -4.66 120.51 119.97 2ied n ALA 124 Ca -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.39 2ied n ALA 124 Cb 0.96 0.34 0.26 0.00 0.00 0.00 0.00 19.45 21.01 2ied n ALA 124 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ied h TYR 125 N 0.00 0.34 0.00 0.00 3.20 -0.99 -1.60 116.97 117.92 2ied h TYR 125 Ca 0.00 -0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.80 2ied h TYR 125 Cb 0.37 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.56 2ied h TYR 125 CO 0.00 0.57 0.00 0.66 -1.64 0.00 0.00 178.16 177.75 2ied h SER 126 N 0.27 0.00 -0.33 -2.11 4.64 -1.46 0.93 113.55 115.48 2ied h SER 126 Ca 0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.29 2ied h SER 126 Cb 0.65 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.73 2ied h SER 126 CO 0.05 0.00 -0.08 0.22 -0.87 0.00 0.00 176.83 176.14 2ied h TYR 127 N 0.00 0.72 -0.30 4.77 3.20 -1.55 -1.03 116.97 122.78 2ied h TYR 127 Ca 0.00 -0.16 -0.09 0.00 3.14 0.00 0.00 58.73 61.63 2ied h TYR 127 Cb 0.31 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.39 2ied h TYR 127 CO 0.00 0.81 -0.18 0.00 -1.64 0.00 0.00 178.16 177.15 2ied h ALA 128 N 0.81 1.13 -0.06 1.82 0.00 -0.92 -2.34 119.26 119.70 2ied h ALA 128 Ca 0.08 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ied h ALA 128 Cb 0.58 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ied h ALA 128 CO 0.03 0.54 0.03 0.77 0.00 0.00 0.00 179.25 180.63 2ied h SER 129 N 0.49 0.07 -0.38 0.00 0.02 -1.17 0.13 113.55 112.72 2ied h SER 129 Ca 0.08 -0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 60.86 2ied h SER 129 Cb 0.59 -0.02 -0.01 0.00 0.14 0.00 0.00 62.40 63.10 2ied h SER 129 CO 0.04 0.13 -0.12 0.24 -1.14 0.00 0.00 176.83 175.98 2ied h MET 130 N 0.01 0.76 -0.75 3.45 2.07 -1.21 0.20 114.93 119.46 2ied h MET 130 Ca 0.02 -0.31 0.07 0.00 -2.07 0.00 0.00 59.70 57.42 2ied h MET 130 Cb 0.08 -0.04 -0.06 0.00 -1.87 0.00 0.00 31.60 29.71 2ied h MET 130 CO -0.00 0.91 0.42 0.00 1.07 0.00 0.00 176.91 179.31 2ied h ALA 131 N 0.82 1.03 -0.32 6.32 0.00 -1.22 0.30 119.26 126.19 2ied h ALA 131 Ca 0.09 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 2ied h ALA 131 Cb 0.65 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2ied h ALA 131 CO 0.04 0.08 -0.04 -0.22 0.00 0.00 0.00 179.25 179.11 2ied h LYS 132 N 0.74 0.60 -0.81 0.00 3.64 -0.51 0.57 116.57 120.80 2ied h LYS 132 Ca 0.35 -0.21 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 2ied h LYS 132 Cb 0.26 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 31.99 2ied h LYS 132 CO -0.21 0.76 0.53 0.00 -2.27 0.00 0.00 179.45 178.25 2ied h ALA 133 N 0.82 1.55 0.00 5.00 0.00 -0.13 -3.36 119.26 123.14 2ied h ALA 133 Ca 0.09 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 2ied h ALA 133 Cb 0.52 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2ied h ALA 133 CO 0.02 0.36 -1.66 1.28 0.00 0.00 0.00 179.25 179.26 2ied n LEU 134 N -4.46 0.00 -0.26 0.00 4.77 0.10 -4.17 117.00 112.98 2ied n LEU 134 Ca 0.11 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.14 2ied n LEU 134 Cb 0.15 0.13 0.19 0.00 -2.33 0.00 0.00 43.42 41.56 2ied n LEU 134 CO 0.34 0.13 1.02 -0.07 -1.33 0.00 0.00 177.39 177.48 2ied h LEU 135 N 0.00 0.29 -2.45 2.23 -0.00 -0.01 0.22 115.31 115.60 2ied h LEU 135 Ca -0.14 0.11 0.02 0.00 -0.00 0.00 0.00 57.88 57.86 2ied h LEU 135 Cb 1.09 0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2ied h LEU 135 CO 0.01 0.11 0.15 -0.65 -0.00 0.00 0.00 178.44 178.06 2ied h PRO 136 N 0.45 0.00 -0.24 1.13 0.11 -1.79 -1.44 132.00 130.22 2ied h PRO 136 Ca 0.42 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 66.42 2ied h PRO 136 Cb 0.63 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.68 2ied h PRO 136 CO -0.40 0.00 -0.15 0.44 -0.21 0.00 0.00 178.00 177.68 2ied n ILE 137 N -3.35 2.39 -4.08 4.15 -5.35 0.75 -5.01 119.36 108.87 2ied n ILE 137 Ca -0.01 -2.69 -0.33 0.00 -0.27 0.00 0.00 62.75 59.44 2ied n ILE 137 Cb 0.23 -0.29 -0.07 0.00 -1.74 0.00 0.00 39.64 37.78 2ied n ILE 137 CO 0.00 0.00 0.00 -0.04 -1.76 0.00 0.00 176.55 174.75 2ied s MET 138 N -3.16 3.14 0.48 6.28 -1.94 -0.55 0.25 119.30 123.81 2ied s MET 138 Ca 0.42 -0.43 -0.22 0.00 -1.71 0.00 0.00 55.69 53.75 2ied s MET 138 Cb 0.38 -2.91 -0.07 0.00 2.01 0.00 0.00 34.83 34.24 2ied s MET 138 CO -0.00 0.66 1.12 -0.80 -0.01 0.00 0.00 175.02 175.99 2ied s ASN 139 N -1.65 6.15 0.47 3.03 0.01 0.94 -4.86 114.94 119.02 2ied s ASN 139 Ca 0.22 2.17 -0.23 0.00 -0.71 0.00 0.00 52.86 54.31 2ied s ASN 139 Cb -0.12 -2.59 -0.08 0.00 0.41 0.00 0.00 41.25 38.87 2ied s ASN 139 CO 0.13 -0.92 1.16 -2.65 -1.51 0.00 0.00 177.10 173.31 2ied n PRO 140 N -0.74 1.57 -0.06 -0.60 -0.02 -1.22 -0.67 135.00 133.26 2ied n PRO 140 Ca 0.09 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 2ied n PRO 140 Cb 0.50 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2ied n PRO 140 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ied n GLY 141 N 0.98 1.12 3.20 -1.23 0.00 0.07 -4.98 105.19 104.35 2ied n GLY 141 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2ied n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ied n GLY 142 N -2.00 -2.62 3.54 -0.02 0.00 0.16 -4.85 105.19 99.40 2ied n GLY 142 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.45 2ied n GLY 142 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ied s SER 143 N -4.30 -0.86 -0.14 1.61 0.15 0.27 -1.82 113.70 108.62 2ied s SER 143 Ca 0.65 1.38 -0.02 0.00 0.70 0.00 0.00 55.95 58.66 2ied s SER 143 Cb -0.06 1.53 -0.02 0.00 -1.71 0.00 0.00 66.02 65.76 2ied s SER 143 CO 0.49 -0.23 -0.07 -0.63 1.20 0.00 0.00 173.24 174.01 2ied s ILE 144 N 2.04 3.63 -0.05 6.45 1.01 0.10 -0.37 121.20 134.02 2ied s ILE 144 Ca -0.08 -0.46 0.02 0.00 0.00 0.00 0.00 60.65 60.13 2ied s ILE 144 Cb -0.08 -2.56 0.01 0.00 0.01 0.00 0.00 42.46 39.84 2ied s ILE 144 CO -0.18 0.51 -0.09 0.68 0.00 0.00 0.00 174.94 175.86 2ied s VAL 145 N 0.24 0.88 0.32 2.92 -7.23 0.71 -0.53 120.40 117.71 2ied s VAL 145 Ca -0.05 -0.34 0.09 0.00 -1.81 0.00 0.00 61.98 59.87 2ied s VAL 145 Cb -0.14 -0.83 -0.05 0.00 0.56 0.00 0.00 36.38 35.92 2ied s VAL 145 CO 0.04 0.30 0.06 -0.83 -0.31 0.00 0.00 175.10 174.36 2ied s GLY 146 N 0.68 1.89 -0.17 2.32 0.00 0.35 0.15 107.32 112.54 2ied s GLY 146 Ca -0.12 -1.81 -0.06 0.00 0.00 0.00 0.00 44.72 42.72 2ied s GLY 146 CO 0.02 -1.79 0.04 1.06 0.00 0.00 0.00 173.10 172.44 2ied s MET 147 N -3.76 3.86 0.31 2.90 -1.94 -0.83 -0.24 119.30 119.60 2ied s MET 147 Ca 0.35 -0.37 0.10 0.00 -1.71 0.00 0.00 55.69 54.06 2ied s MET 147 Cb -0.03 -3.14 -0.05 0.00 2.01 0.00 0.00 34.83 33.62 2ied s MET 147 CO 0.21 0.31 -0.07 0.34 -0.01 0.00 0.00 175.02 175.80 2ied s ASP 148 N 0.26 4.01 -0.10 3.03 3.68 0.94 -4.88 116.67 123.61 2ied s ASP 148 Ca 0.02 -0.98 -0.02 0.00 2.13 0.00 0.00 52.55 53.70 2ied s ASP 148 Cb -0.13 -0.49 0.04 0.00 -1.45 0.00 0.00 42.92 40.89 2ied s ASP 148 CO 0.01 -0.11 0.04 0.12 0.13 0.00 0.00 175.17 175.36 2ied s PHE 149 N -2.50 0.44 -0.51 -5.34 2.19 -1.26 -1.69 117.98 109.31 2ied s PHE 149 Ca 0.32 -0.16 -0.41 0.00 0.33 0.00 0.00 56.93 57.01 2ied s PHE 149 Cb -0.02 -0.71 -0.18 0.00 -1.31 0.00 0.00 43.02 40.80 2ied s PHE 149 CO 0.18 -0.36 2.19 -3.47 1.83 0.00 0.00 175.22 175.59 2ied n ASP 150 N 5.21 0.97 -1.32 6.13 4.64 -1.26 -4.80 116.55 126.11 2ied n ASP 150 Ca -0.06 0.58 0.11 0.00 -1.38 0.00 0.00 54.79 54.04 2ied n ASP 150 Cb 0.49 -0.97 0.31 0.00 -1.04 0.00 0.00 41.12 39.92 2ied n ASP 150 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 2ied n PRO 151 N 7.71 2.86 0.26 -0.67 -0.04 -1.26 -4.49 135.00 139.37 2ied n PRO 151 Ca 0.53 -2.64 0.14 0.00 -0.04 0.00 0.00 63.50 61.49 2ied n PRO 151 Cb 0.02 -1.58 0.84 0.00 -0.04 0.00 0.00 33.50 32.74 2ied n PRO 151 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2ied h SER 152 N 4.07 0.00 -4.29 3.54 4.64 -1.94 -3.41 113.55 116.17 2ied h SER 152 Ca 0.00 0.00 -0.45 0.00 -0.47 0.00 0.00 61.79 60.87 2ied h SER 152 Cb 1.02 0.00 -0.26 0.00 -0.31 0.00 0.00 62.40 62.85 2ied h SER 152 CO 0.03 0.00 -0.80 -0.13 -0.87 0.00 0.00 176.83 175.06 2ied s ARG 153 N -4.72 0.98 0.33 4.77 0.52 -1.26 -5.13 118.95 114.44 2ied s ARG 153 Ca -0.05 -0.70 -0.27 0.00 -0.52 0.00 0.00 55.73 54.20 2ied s ARG 153 Cb 0.16 -0.98 -0.09 0.00 0.52 0.00 0.00 34.95 34.55 2ied s ARG 153 CO 0.57 0.25 1.06 0.00 0.02 0.00 0.00 175.30 177.20 2ied s ALA 154 N -0.72 3.25 0.13 2.13 0.00 -1.26 -5.05 121.76 120.24 2ied s ALA 154 Ca 0.03 0.77 0.06 0.00 0.00 0.00 0.00 51.96 52.81 2ied s ALA 154 Cb -0.07 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.72 2ied s ALA 154 CO 0.01 -0.14 -0.13 0.00 0.00 0.00 0.00 175.76 175.50 2ied s MET 155 N -1.93 1.05 0.73 0.00 0.23 -1.26 -5.13 119.30 113.00 2ied s MET 155 Ca 0.50 -1.31 -0.16 0.00 -1.03 0.00 0.00 55.69 53.69 2ied s MET 155 Cb -0.26 -0.85 -0.06 0.00 -1.53 0.00 0.00 34.83 32.13 2ied s MET 155 CO 0.34 0.15 0.33 -2.30 -2.03 0.00 0.00 175.02 171.50 2ied n PRO 156 N 0.30 0.21 0.00 3.16 -0.02 -1.26 -4.13 135.00 133.26 2ied n PRO 156 Ca -0.14 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 2ied n PRO 156 Cb 0.58 -1.66 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2ied n PRO 156 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ied n ALA 157 N -2.33 0.00 -0.11 3.55 0.00 -1.25 -4.50 120.51 115.87 2ied n ALA 157 Ca 0.09 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.64 2ied n ALA 157 Cb 0.50 0.00 0.47 0.00 0.00 0.00 0.00 19.45 20.43 2ied n ALA 157 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 2ied h TYR 158 N 0.00 0.50 0.00 0.00 -0.00 -1.85 0.90 116.97 116.52 2ied h TYR 158 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 58.73 58.74 2ied h TYR 158 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 36.73 36.57 2ied h TYR 158 CO 0.00 0.24 0.00 0.09 -0.00 0.00 0.00 178.16 178.49 2ied n ASN 159 N -4.48 0.00 0.22 -2.11 3.02 -1.26 -0.53 115.26 110.12 2ied n ASN 159 Ca 0.10 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 54.77 2ied n ASN 159 Cb 0.36 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.74 2ied n ASN 159 CO 0.00 0.00 0.00 -0.50 -2.62 0.00 0.00 177.26 174.14 2ied h TRP 160 N 0.00 0.00 -0.98 3.10 4.06 -1.16 -2.04 115.95 118.94 2ied h TRP 160 Ca 0.00 0.00 0.02 0.00 2.06 0.00 0.00 58.89 60.97 2ied h TRP 160 Cb 0.00 0.00 -0.05 0.00 -1.00 0.00 0.00 29.16 28.11 2ied h TRP 160 CO 0.00 0.06 0.64 1.98 -3.56 0.00 0.00 178.44 177.56 2ied h MET 161 N 0.00 1.24 -0.09 0.49 4.05 -0.84 0.89 114.93 120.66 2ied h MET 161 Ca -0.00 -0.07 0.01 0.00 -0.28 0.00 0.00 59.70 59.35 2ied h MET 161 Cb 0.98 -0.28 -0.01 0.00 -0.80 0.00 0.00 31.60 31.50 2ied h MET 161 CO 0.01 0.82 0.03 1.15 0.23 0.00 0.00 176.91 179.15 2ied h THR 162 N 1.28 0.98 -0.05 -0.77 2.02 -1.10 0.21 112.91 115.48 2ied h THR 162 Ca 0.37 -0.03 0.01 0.00 0.77 0.00 0.00 66.41 67.54 2ied h THR 162 Cb -0.07 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2ied h THR 162 CO -0.10 0.01 -0.01 0.58 0.37 0.00 0.00 175.52 176.37 2ied h VAL 163 N 0.08 0.94 -0.91 3.16 2.07 -1.31 0.25 116.25 120.54 2ied h VAL 163 Ca 0.04 0.00 0.20 0.00 0.82 0.00 0.00 66.70 67.76 2ied h VAL 163 Cb 0.02 0.94 -0.11 0.00 -1.52 0.00 0.00 31.29 30.62 2ied h VAL 163 CO -0.04 0.00 0.46 0.00 0.02 0.00 0.00 177.57 178.01 2ied h ALA 164 N 1.05 1.46 -0.27 1.67 0.00 -0.65 -0.78 119.26 121.75 2ied h ALA 164 Ca 0.03 0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.92 2ied h ALA 164 Cb 0.04 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2ied h ALA 164 CO -0.06 -0.22 -0.40 0.87 0.00 0.00 0.00 179.25 179.44 2ied h LYS 165 N 0.53 0.65 -0.77 0.00 1.79 0.13 0.02 116.57 118.92 2ied h LYS 165 Ca 0.54 -0.33 -0.02 0.00 -2.18 0.00 0.00 60.65 58.66 2ied h LYS 165 Cb 0.94 0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 31.56 2ied h LYS 165 CO -0.45 0.94 0.41 0.77 -1.08 0.00 0.00 179.45 180.03 2ied h SER 166 N 0.53 0.96 -0.32 0.86 0.02 0.38 -0.95 113.55 115.04 2ied h SER 166 Ca 0.04 -0.09 -0.13 0.00 -0.84 0.00 0.00 61.79 60.78 2ied h SER 166 Cb 0.93 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.22 2ied h SER 166 CO 0.08 0.78 -0.29 0.00 -1.14 0.00 0.00 176.83 176.26 2ied h ALA 167 N 1.37 0.46 -0.57 3.77 0.00 -0.81 -2.38 119.26 121.11 2ied h ALA 167 Ca 0.27 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 2ied h ALA 167 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2ied h ALA 167 CO -0.04 0.48 0.35 1.25 0.00 0.00 0.00 179.25 181.29 2ied h LEU 168 N 0.52 0.67 -1.31 0.00 6.46 -0.39 0.50 115.31 121.76 2ied h LEU 168 Ca 0.05 -0.05 0.07 0.00 -0.12 0.00 0.00 57.88 57.83 2ied h LEU 168 Cb 0.86 -0.17 -0.05 0.00 -0.73 0.00 0.00 40.66 40.57 2ied h LEU 168 CO 0.07 0.53 0.51 -0.33 -0.62 0.00 0.00 178.44 178.60 2ied h GLU 169 N 0.76 0.80 -0.10 1.25 5.08 -0.85 0.36 114.58 121.89 2ied h GLU 169 Ca 0.20 -0.05 -0.14 0.00 -1.00 0.00 0.00 59.36 58.37 2ied h GLU 169 Cb -0.03 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.05 2ied h GLU 169 CO -0.04 0.53 -0.50 1.03 -1.00 0.00 0.00 179.01 179.04 2ied h SER 170 N 0.83 0.60 -0.64 1.42 0.87 -0.77 -2.93 113.55 112.94 2ied h SER 170 Ca 0.34 -0.65 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 2ied h SER 170 Cb 0.25 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.98 2ied h SER 170 CO -0.12 1.15 0.35 0.58 -0.53 0.00 0.00 176.83 178.26 2ied h VAL 171 N 0.09 0.97 -1.00 2.23 2.07 0.14 -2.16 116.25 118.58 2ied h VAL 171 Ca -0.04 -0.22 0.09 0.00 0.82 0.00 0.00 66.70 67.35 2ied h VAL 171 Cb 1.15 0.26 -0.07 0.00 -1.52 0.00 0.00 31.29 31.10 2ied h VAL 171 CO 0.10 0.12 0.64 -1.13 0.02 0.00 0.00 177.57 177.33 2ied h ASN 172 N 0.65 1.00 -0.36 0.57 -1.24 -0.31 0.52 115.58 116.41 2ied h ASN 172 Ca 0.28 0.02 -0.05 0.00 0.71 0.00 0.00 56.30 57.27 2ied h ASN 172 Cb 0.17 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.02 2ied h ASN 172 CO -0.18 0.60 0.07 0.03 -1.29 0.00 0.00 177.43 176.66 2ied h ARG 173 N 1.11 0.68 -0.04 6.67 3.08 -1.21 0.18 114.38 124.85 2ied h ARG 173 Ca 0.46 -0.14 -0.22 0.00 0.07 0.00 0.00 59.98 60.15 2ied h ARG 173 Cb 0.29 -0.10 0.02 0.00 0.08 0.00 0.00 29.97 30.25 2ied h ARG 173 CO -0.21 0.65 -0.84 0.74 -1.07 0.00 0.00 179.97 179.24 2ied h PHE 174 N 0.66 0.92 -0.74 3.04 -1.00 -1.00 -3.16 116.94 115.66 2ied h PHE 174 Ca 0.14 -0.47 0.11 0.00 2.81 0.00 0.00 57.97 60.56 2ied h PHE 174 Cb 0.30 -0.12 -0.08 0.00 3.61 0.00 0.00 35.95 39.67 2ied h PHE 174 CO 0.01 1.30 0.36 0.28 -1.61 0.00 0.00 178.31 178.66 2ied h VAL 175 N 0.29 0.80 -0.79 -0.55 2.07 0.22 -2.09 116.25 116.19 2ied h VAL 175 Ca -0.09 -0.20 0.11 0.00 0.82 0.00 0.00 66.70 67.33 2ied h VAL 175 Cb 1.50 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 2ied h VAL 175 CO 0.17 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.38 2ied h ALA 176 N 1.47 1.82 0.16 1.67 0.00 -0.62 0.58 119.26 124.33 2ied h ALA 176 Ca 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 2ied h ALA 176 Cb 0.46 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2ied h ALA 176 CO -0.31 0.01 -0.08 0.00 0.00 0.00 0.00 179.25 178.88 2ied h ARG 177 N 0.68 -0.21 -0.25 0.00 3.08 -1.35 0.23 114.38 116.56 2ied h ARG 177 Ca 0.37 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.42 2ied h ARG 177 Cb 0.52 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.61 2ied h ARG 177 CO -0.14 -0.10 0.09 0.93 -1.07 0.00 0.00 179.97 179.68 2ied h GLU 178 N -0.26 0.37 -0.16 0.04 4.39 -1.30 -3.18 114.58 114.48 2ied h GLU 178 Ca -0.02 -0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.50 2ied h GLU 178 Cb 0.20 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.78 2ied h GLU 178 CO 0.04 0.43 -0.37 0.00 -1.16 0.00 0.00 179.01 177.94 2ied h ALA 179 N 0.93 1.08 0.00 3.43 0.00 0.29 -2.25 119.26 122.74 2ied h ALA 179 Ca 0.08 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2ied h ALA 179 Cb 0.20 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ied h ALA 179 CO -0.01 0.59 0.00 0.78 0.00 0.00 0.00 179.25 180.61 2ied h GLY 180 N 1.14 0.00 2.00 0.00 0.00 -0.33 0.13 103.07 106.01 2ied h GLY 180 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2ied h GLY 180 CO 0.06 0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.10 2ied h LYS 181 N 0.00 0.00 -0.29 4.80 1.57 -1.46 -2.77 116.57 118.43 2ied h LYS 181 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2ied h LYS 181 Cb 0.30 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ied h LYS 181 CO 0.00 0.00 0.00 0.66 -0.57 0.00 0.00 179.45 179.54 2ied n TYR 182 N -2.73 0.37 -0.88 -1.35 4.02 0.28 -4.91 117.16 111.96 2ied n TYR 182 Ca 0.02 -0.24 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 2ied n TYR 182 Cb 0.35 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.66 2ied n TYR 182 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2ied n GLY 183 N 1.10 0.53 3.78 2.72 0.00 -1.04 -3.41 105.19 108.87 2ied n GLY 183 Ca 0.15 -0.25 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 2ied n GLY 183 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ied s VAL 184 N -2.00 4.84 0.14 1.61 1.01 -0.18 -0.75 120.40 125.06 2ied s VAL 184 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 61.98 61.80 2ied s VAL 184 Cb 0.00 -3.11 -0.05 0.00 0.00 0.00 0.00 36.38 33.21 2ied s VAL 184 CO 0.00 0.54 0.36 -0.13 0.00 0.00 0.00 175.10 175.87 2ied s ARG 185 N -1.18 3.61 -0.07 2.72 0.52 -0.76 -2.70 118.95 121.10 2ied s ARG 185 Ca 0.17 -0.11 0.02 0.00 -0.52 0.00 0.00 55.73 55.28 2ied s ARG 185 Cb -0.12 -2.86 0.02 0.00 0.52 0.00 0.00 34.95 32.51 2ied s ARG 185 CO 0.06 0.48 -0.10 0.45 0.02 0.00 0.00 175.30 176.21 2ied s SER 186 N -2.43 1.69 0.10 0.23 0.15 -1.26 0.01 113.70 112.19 2ied s SER 186 Ca 0.41 -0.27 -0.09 0.00 0.70 0.00 0.00 55.95 56.70 2ied s SER 186 Cb -0.12 -0.77 -0.00 0.00 -1.71 0.00 0.00 66.02 63.42 2ied s SER 186 CO 0.25 0.00 0.21 0.20 1.20 0.00 0.00 173.24 175.09 2ied s ASN 187 N 0.83 0.11 0.11 5.45 0.01 0.31 0.27 114.94 122.02 2ied s ASN 187 Ca -0.12 -0.69 0.09 0.00 -0.71 0.00 0.00 52.86 51.43 2ied s ASN 187 Cb -0.15 0.36 -0.04 0.00 0.41 0.00 0.00 41.25 41.83 2ied s ASN 187 CO 0.02 -0.76 -0.18 -0.76 -1.51 0.00 0.00 177.10 173.91 2ied s LEU 188 N -2.88 2.71 -0.27 0.60 1.02 0.43 -0.50 118.68 119.79 2ied s LEU 188 Ca 0.07 -0.54 -0.06 0.00 0.02 0.00 0.00 54.13 53.62 2ied s LEU 188 Cb 0.05 -1.56 -0.00 0.00 0.02 0.00 0.00 46.19 44.70 2ied s LEU 188 CO -0.09 0.19 0.05 -0.69 0.02 0.00 0.00 176.35 175.83 2ied s VAL 189 N -1.13 3.93 -0.55 -1.59 1.01 0.66 -0.44 120.40 122.29 2ied s VAL 189 Ca 0.18 -0.54 -0.22 0.00 0.00 0.00 0.00 61.98 61.40 2ied s VAL 189 Cb -0.11 -2.94 0.05 0.00 0.00 0.00 0.00 36.38 33.38 2ied s VAL 189 CO 0.10 0.20 0.85 0.00 0.00 0.00 0.00 175.10 176.25 2ied s ALA 190 N 1.52 3.22 0.24 5.51 0.00 0.21 -0.04 121.76 132.42 2ied s ALA 190 Ca 0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 51.96 50.50 2ied s ALA 190 Cb -0.16 -3.64 -0.04 0.00 0.00 0.00 0.00 23.12 19.27 2ied s ALA 190 CO 0.02 -2.33 0.45 0.00 0.00 0.00 0.00 175.76 173.89 2ied s ALA 191 N 3.57 3.76 0.98 0.00 0.00 -0.68 0.80 121.76 130.19 2ied s ALA 191 Ca 0.25 -0.76 -0.13 0.00 0.00 0.00 0.00 51.96 51.32 2ied s ALA 191 Cb -0.15 -2.09 0.18 0.00 0.00 0.00 0.00 23.12 21.06 2ied s ALA 191 CO 0.16 0.34 1.11 0.20 0.00 0.00 0.00 175.76 177.57 2ied s GLY 192 N -3.23 1.57 0.10 0.00 0.00 -0.68 -4.50 107.32 100.57 2ied s GLY 192 Ca 0.40 -0.46 -0.33 0.00 0.00 0.00 0.00 44.72 44.33 2ied s GLY 192 CO 0.30 0.15 1.72 -1.55 0.00 0.00 0.00 173.10 173.72 2ied n PRO 193 N -4.07 2.35 -5.12 2.90 -0.04 -1.26 -5.00 135.00 124.76 2ied n PRO 193 Ca 0.06 0.85 -0.32 0.00 -0.04 0.00 0.00 63.50 64.05 2ied n PRO 193 Cb 0.58 -2.67 -0.15 0.00 -0.04 0.00 0.00 33.50 31.22 2ied n PRO 193 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2ied s ILE 194 N 2.10 2.48 -0.94 0.52 1.01 -1.26 -4.27 121.20 120.84 2ied s ILE 194 Ca 0.83 -0.94 -0.22 0.00 0.00 0.00 0.00 60.65 60.32 2ied s ILE 194 Cb -0.63 -1.92 0.08 0.00 0.01 0.00 0.00 42.46 40.00 2ied s ILE 194 CO 0.41 0.58 1.29 -0.13 0.00 0.00 0.00 174.94 177.09 2ied s ARG 195 N -0.56 3.52 0.00 2.79 0.52 -0.03 -4.99 118.95 120.20 2ied s ARG 195 Ca 0.08 -1.24 0.00 0.00 -0.52 0.00 0.00 55.73 54.05 2ied s ARG 195 Cb -0.11 -5.02 0.00 0.00 0.52 0.00 0.00 34.95 30.34 2ied s ARG 195 CO 0.00 -2.03 0.00 2.41 0.02 0.00 0.00 175.30 175.71 2ied n THR 196 N 6.30 0.00 -0.01 0.02 -1.04 -1.26 -4.78 114.28 113.51 2ied n THR 196 Ca 0.24 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 62.22 2ied n THR 196 Cb 0.50 -0.02 -0.02 0.00 -1.82 0.00 0.00 70.33 68.97 2ied n THR 196 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2ied h LEU 197 N 0.00 -0.08 -3.55 -4.42 7.12 -1.96 -0.17 115.31 112.25 2ied h LEU 197 Ca 0.00 -0.12 -0.14 0.00 0.13 0.00 0.00 57.88 57.75 2ied h LEU 197 Cb 0.00 0.02 -0.05 0.00 -0.53 0.00 0.00 40.66 40.10 2ied h LEU 197 CO 0.00 0.46 -0.10 0.00 -0.13 0.00 0.00 178.44 178.67 2ied n ALA 198 N -2.74 5.23 -1.64 1.25 0.00 -1.26 -1.13 120.51 120.22 2ied n ALA 198 Ca -0.03 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.32 2ied n ALA 198 Cb 0.10 -1.65 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2ied n ALA 198 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2ied n MET 199 N 1.77 0.00 -0.21 0.00 2.81 -1.20 -2.86 117.12 117.42 2ied n MET 199 Ca 0.23 -0.01 0.11 0.00 -1.81 0.00 0.00 57.70 56.23 2ied n MET 199 Cb 0.68 -0.18 0.22 0.00 -0.71 0.00 0.00 33.22 33.23 2ied n MET 199 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2ied n SER 200 N 0.00 3.47 0.00 7.83 7.64 -0.08 -2.87 113.62 129.61 2ied n SER 200 Ca 0.00 -1.97 -0.00 0.00 1.01 0.00 0.00 58.87 57.91 2ied n SER 200 Cb 0.26 -0.28 -0.00 0.00 -1.01 0.00 0.00 64.21 63.18 2ied n SER 200 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ied n ALA 201 N 1.44 2.87 0.81 -0.43 0.00 -0.38 -2.94 120.51 121.87 2ied n ALA 201 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2ied n ALA 201 Cb 0.59 0.02 0.00 0.00 0.00 0.00 0.00 19.45 20.05 2ied n ALA 201 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2ied n ILE 202 N -2.57 0.00 -0.42 0.00 5.41 -1.13 -1.37 119.36 119.28 2ied n ILE 202 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 2ied n ILE 202 Cb 0.00 -0.25 0.00 0.00 -0.71 0.00 0.00 39.64 38.68 2ied n ILE 202 CO 0.00 0.00 0.00 0.55 0.00 0.00 0.00 176.55 177.10 2ied n VAL 203 N -0.10 0.00 0.00 1.39 3.14 -1.26 -4.86 118.33 116.64 2ied n VAL 203 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2ied n VAL 203 Cb 0.08 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.86 2ied n VAL 203 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ied n GLY 204 N 0.00 -0.58 2.65 7.55 0.00 -1.14 -4.25 105.19 109.42 2ied n GLY 204 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.98 2ied n GLY 204 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ied n GLY 205 N 1.27 1.57 2.69 -0.02 0.00 -1.15 -4.91 105.19 104.65 2ied n GLY 205 Ca 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 46.02 45.83 2ied n GLY 205 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ied n ALA 206 N -1.07 1.87 0.00 4.61 0.00 -0.47 -4.93 120.51 120.53 2ied n ALA 206 Ca -0.11 -1.26 0.00 0.00 0.00 0.00 0.00 53.44 52.07 2ied n ALA 206 Cb 0.85 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 19.36 2ied n ALA 206 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ied n LEU 207 N -0.91 0.11 0.00 0.00 4.77 -1.10 -4.34 117.00 115.53 2ied n LEU 207 Ca -0.08 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.90 2ied n LEU 207 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2ied n LEU 207 CO -0.10 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.48 2ied n GLY 208 N 2.65 1.69 0.09 -0.72 0.00 -1.26 -4.88 105.19 102.77 2ied n GLY 208 Ca 0.00 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 2ied n GLY 208 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2ied h GLU 209 N 0.00 0.09 -0.00 1.61 4.22 -1.99 -3.39 114.58 115.11 2ied h GLU 209 Ca 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 59.36 59.29 2ied h GLU 209 Cb 0.00 0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.31 2ied h GLU 209 CO 0.00 0.77 -0.34 -0.85 -2.18 0.00 0.00 179.01 176.41 2ied n GLU 210 N -3.22 0.49 -0.20 1.92 -0.00 -1.26 -3.56 120.64 114.81 2ied n GLU 210 Ca -0.18 -0.28 0.06 0.00 -0.00 0.00 0.00 57.16 56.76 2ied n GLU 210 Cb 1.04 -1.49 0.15 0.00 -0.00 0.00 0.00 31.44 31.14 2ied n GLU 210 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2ied n ALA 211 N -1.01 2.41 -0.37 -1.84 0.00 -1.26 -3.16 120.51 115.27 2ied n ALA 211 Ca 0.10 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.77 2ied n ALA 211 Cb 0.34 -0.42 0.00 0.00 0.00 0.00 0.00 19.45 19.37 2ied n ALA 211 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ied n GLY 212 N -0.40 1.13 0.00 0.00 0.00 -1.23 -4.14 105.19 100.54 2ied n GLY 212 Ca 0.13 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ied n GLY 212 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ied n ALA 213 N -0.36 0.27 -0.11 4.61 0.00 -1.24 -4.30 120.51 119.38 2ied n ALA 213 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.24 2ied n ALA 213 Cb 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.68 2ied n ALA 213 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2ied n GLN 214 N -0.17 0.65 -0.02 0.00 1.13 -1.19 -2.18 117.38 115.60 2ied n GLN 214 Ca 0.00 0.20 -0.01 0.00 -1.94 0.00 0.00 57.00 55.25 2ied n GLN 214 Cb 0.00 -1.55 0.26 0.00 0.11 0.00 0.00 30.24 29.07 2ied n GLN 214 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 2ied h ILE 215 N -0.21 1.21 -0.57 5.09 2.04 -1.81 -1.15 117.51 122.11 2ied h ILE 215 Ca -0.58 -0.85 -0.06 0.00 1.00 0.00 0.00 64.86 64.38 2ied h ILE 215 Cb 1.85 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2ied h ILE 215 CO -0.13 0.29 0.13 1.56 0.00 0.00 0.00 178.15 180.00 2ied h GLN 216 N 0.55 0.91 -0.55 2.37 1.08 -1.75 0.15 115.11 117.87 2ied h GLN 216 Ca 0.11 -0.22 -0.11 0.00 -1.45 0.00 0.00 58.65 56.98 2ied h GLN 216 Cb 0.37 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.66 2ied h GLN 216 CO 0.01 0.85 -0.09 1.25 -0.95 0.00 0.00 178.83 179.91 2ied h LEU 217 N 0.81 1.01 0.69 1.46 5.85 -1.39 -0.24 115.31 123.51 2ied h LEU 217 Ca 0.18 -0.32 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 2ied h LEU 217 Cb 0.36 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ied h LEU 217 CO 0.00 1.11 -0.48 0.25 -0.34 0.00 0.00 178.44 178.98 2ied h LEU 218 N 0.91 -1.25 -1.40 2.25 6.46 -1.14 -3.04 115.31 118.10 2ied h LEU 218 Ca 0.15 0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.92 2ied h LEU 218 Cb 0.64 0.38 -0.01 0.00 -0.73 0.00 0.00 40.66 40.94 2ied h LEU 218 CO 0.04 -0.71 -0.28 -0.33 -0.62 0.00 0.00 178.44 176.54 2ied h GLU 219 N -1.12 0.03 0.00 1.25 5.08 -0.64 -2.76 114.58 116.41 2ied h GLU 219 Ca -0.09 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 2ied h GLU 219 Cb 0.92 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.17 2ied h GLU 219 CO 0.05 0.31 0.00 0.93 -1.00 0.00 0.00 179.01 179.30 2ied h GLU 220 N 0.03 0.00 0.00 2.33 5.08 -1.09 -2.85 114.58 118.08 2ied h GLU 220 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ied h GLU 220 Cb 0.51 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 2ied h GLU 220 CO 0.04 0.00 -0.18 0.78 -1.00 0.00 0.00 179.01 178.65 2ied h GLY 221 N 3.95 0.00 -0.00 -3.84 0.00 -1.36 -2.83 103.07 98.99 2ied h GLY 221 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.34 2ied h GLY 221 CO 0.00 0.00 -0.33 1.49 0.00 0.00 0.00 176.54 177.70 2ied h TRP 222 N 0.00 -0.96 -0.37 5.60 6.55 -1.61 0.18 115.95 125.34 2ied h TRP 222 Ca -0.00 0.03 0.02 0.00 0.95 0.00 0.00 58.89 59.89 2ied h TRP 222 Cb 0.33 0.42 -0.02 0.00 -0.86 0.00 0.00 29.16 29.03 2ied h TRP 222 CO 0.00 -0.35 0.25 0.22 -1.05 0.00 0.00 178.44 177.51 2ied h ASP 223 N -0.41 0.35 0.31 -3.49 -0.00 -1.71 1.07 116.42 112.55 2ied h ASP 223 Ca 0.01 -0.01 -0.02 0.00 -0.00 0.00 0.00 57.03 57.02 2ied h ASP 223 Cb 0.44 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 39.69 2ied h ASP 223 CO -0.22 0.25 -0.15 1.56 -0.00 0.00 0.00 179.24 180.68 2ied h GLN 224 N 0.41 -0.40 -0.26 0.28 4.20 -1.23 -3.29 115.11 114.83 2ied h GLN 224 Ca 0.15 0.03 -0.17 0.00 0.06 0.00 0.00 58.65 58.72 2ied h GLN 224 Cb 0.09 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 27.95 2ied h GLN 224 CO -0.03 -0.26 -0.51 0.00 -0.67 0.00 0.00 178.83 177.36 2ied h ARG 225 N -0.42 0.73 -6.21 1.46 3.08 0.23 -3.43 114.38 109.82 2ied h ARG 225 Ca -0.04 -0.44 -0.56 0.00 0.07 0.00 0.00 59.98 59.00 2ied h ARG 225 Cb 0.32 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.41 2ied h ARG 225 CO 0.07 1.06 1.28 0.00 -1.07 0.00 0.00 179.97 181.31 2ied s ALA 226 N -4.14 3.17 0.52 0.04 0.00 0.34 -4.52 121.76 117.17 2ied s ALA 226 Ca -0.09 0.79 0.25 0.00 0.00 0.00 0.00 51.96 52.91 2ied s ALA 226 Cb 0.11 -3.93 1.36 0.00 0.00 0.00 0.00 23.12 20.67 2ied s ALA 226 CO 0.86 -2.14 1.97 -1.35 0.00 0.00 0.00 175.76 175.10 2ied h PRO 227 N 12.15 0.05 -0.35 0.00 0.11 -1.77 -0.55 132.00 141.64 2ied h PRO 227 Ca -0.40 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.70 2ied h PRO 227 Cb 1.20 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2ied h PRO 227 CO 0.97 0.04 0.00 0.44 -0.21 0.00 0.00 178.00 179.24 2ied n ILE 228 N -4.38 1.54 -0.41 4.15 -5.35 -1.21 -5.08 119.36 108.62 2ied n ILE 228 Ca 0.11 -1.33 0.05 0.00 -0.27 0.00 0.00 62.75 61.31 2ied n ILE 228 Cb 0.64 0.20 -0.02 0.00 -1.74 0.00 0.00 39.64 38.72 2ied n ILE 228 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2ied n GLY 229 N 0.23 -2.25 2.68 3.28 0.00 -0.21 -4.99 105.19 103.91 2ied n GLY 229 Ca 0.17 -1.38 -0.20 0.00 0.00 0.00 0.00 46.02 44.61 2ied n GLY 229 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2ied s TRP 230 N -2.51 0.05 -0.51 1.61 -0.11 -1.26 -4.24 118.94 111.96 2ied s TRP 230 Ca 0.00 0.26 -0.15 0.00 1.22 0.00 0.00 56.10 57.43 2ied s TRP 230 Cb 0.00 -0.48 0.12 0.00 -1.50 0.00 0.00 33.47 31.61 2ied s TRP 230 CO 0.00 -0.20 0.45 1.21 -4.62 0.00 0.00 176.95 173.79 2ied s ASN 231 N 2.17 6.09 0.64 5.86 3.04 -1.26 -4.43 114.94 127.06 2ied s ASN 231 Ca 0.05 -1.71 0.13 0.00 0.04 0.00 0.00 52.86 51.37 2ied s ASN 231 Cb -0.12 -2.17 0.57 0.00 -1.54 0.00 0.00 41.25 37.99 2ied s ASN 231 CO -0.03 -0.78 1.27 0.00 -3.04 0.00 0.00 177.10 174.51 2ied h MET 232 N 8.78 0.00 -0.02 0.43 -0.00 -1.95 -2.25 114.93 119.93 2ied h MET 232 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.42 2ied h MET 232 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.70 2ied h MET 232 CO 0.97 0.00 -0.32 1.63 -0.00 0.00 0.00 176.91 179.20 2ied n LYS 233 N -2.82 1.54 -3.93 -0.10 5.02 -1.26 -0.85 118.16 115.76 2ied n LYS 233 Ca 0.06 -1.07 -0.34 0.00 -2.02 0.00 0.00 58.31 54.94 2ied n LYS 233 Cb 1.02 -1.37 -0.14 0.00 -0.02 0.00 0.00 35.03 34.52 2ied n LYS 233 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2ied s ASP 234 N -2.07 4.87 0.00 4.39 3.68 -0.85 -4.91 116.67 121.78 2ied s ASP 234 Ca 0.17 -1.58 0.28 0.00 2.13 0.00 0.00 52.55 53.55 2ied s ASP 234 Cb 0.16 -1.70 1.08 0.00 -1.45 0.00 0.00 42.92 41.01 2ied s ASP 234 CO 0.43 -0.32 1.76 0.00 0.13 0.00 0.00 175.17 177.17 2ied n ALA 235 N 4.53 2.77 -0.11 3.66 0.00 -1.26 -4.38 120.51 125.72 2ied n ALA 235 Ca -0.08 -0.37 -0.09 0.00 0.00 0.00 0.00 53.44 52.89 2ied n ALA 235 Cb 0.42 -1.22 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 2ied n ALA 235 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2ied h THR 236 N 1.45 1.11 -0.93 0.00 2.02 -1.94 0.27 112.91 114.89 2ied h THR 236 Ca 0.00 -0.25 0.06 0.00 0.77 0.00 0.00 66.41 67.00 2ied h THR 236 Cb 0.43 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.42 2ied h THR 236 CO 0.00 0.11 0.61 -0.65 0.37 0.00 0.00 175.52 175.96 2ied h PRO 237 N 0.46 1.05 0.12 6.66 0.11 -1.99 0.24 132.00 138.66 2ied h PRO 237 Ca 0.13 -0.06 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 2ied h PRO 237 Cb -0.01 -0.24 0.00 0.00 0.11 0.00 0.00 31.00 30.86 2ied h PRO 237 CO -0.02 0.70 -0.06 0.28 -0.21 0.00 0.00 178.00 178.68 2ied h VAL 238 N 1.08 1.05 -0.93 3.15 2.07 -1.73 -1.70 116.25 119.24 2ied h VAL 238 Ca 0.40 -0.79 0.21 0.00 0.82 0.00 0.00 66.70 67.34 2ied h VAL 238 Cb 0.16 1.53 -0.07 0.00 -1.52 0.00 0.00 31.29 31.39 2ied h VAL 238 CO -0.15 0.18 0.61 0.00 0.02 0.00 0.00 177.57 178.24 2ied h ALA 239 N 0.26 2.17 0.12 1.67 0.00 0.16 -0.46 119.26 123.18 2ied h ALA 239 Ca -0.02 0.03 -0.28 0.00 0.00 0.00 0.00 54.91 54.64 2ied h ALA 239 Cb 0.43 -0.03 0.03 0.00 0.00 0.00 0.00 17.79 18.22 2ied h ALA 239 CO 0.03 -0.48 -1.15 0.87 0.00 0.00 0.00 179.25 178.52 2ied h LYS 240 N 0.44 0.57 -0.25 0.00 1.57 -0.47 -1.97 116.57 116.46 2ied h LYS 240 Ca 0.49 -0.77 0.03 0.00 -1.87 0.00 0.00 60.65 58.53 2ied h LYS 240 Cb 1.19 0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.73 2ied h LYS 240 CO -0.21 1.35 0.05 1.15 -0.57 0.00 0.00 179.45 181.22 2ied h THR 241 N 0.17 0.89 -0.64 -0.16 2.02 -0.75 0.20 112.91 114.63 2ied h THR 241 Ca -0.18 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 67.08 2ied h THR 241 Cb 1.84 0.73 -0.09 0.00 -1.74 0.00 0.00 68.15 68.89 2ied h THR 241 CO 0.22 0.03 0.13 0.58 0.37 0.00 0.00 175.52 176.85 2ied h VAL 242 N 0.14 0.60 -0.33 3.16 2.07 -1.12 -2.56 116.25 118.22 2ied h VAL 242 Ca 0.11 -0.09 -0.06 0.00 0.82 0.00 0.00 66.70 67.48 2ied h VAL 242 Cb 0.11 0.32 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 2ied h VAL 242 CO -0.15 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 177.43 2ied h ALA 244 N 1.44 1.55 0.08 0.00 0.00 -0.28 0.14 119.26 122.18 2ied h ALA 244 Ca 0.10 0.04 -0.26 0.00 0.00 0.00 0.00 54.91 54.79 2ied h ALA 244 Cb 0.42 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 2ied h ALA 244 CO 0.02 0.13 -1.26 1.25 0.00 0.00 0.00 179.25 179.39 2ied h LEU 245 N 0.91 0.26 -1.50 0.00 5.85 -0.93 -2.67 115.31 117.23 2ied h LEU 245 Ca 0.52 -0.30 -0.05 0.00 0.84 0.00 0.00 57.88 58.88 2ied h LEU 245 Cb 0.62 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.55 2ied h LEU 245 CO -0.30 1.24 -0.25 -0.07 -0.34 0.00 0.00 178.44 178.72 2ied h LEU 246 N 0.05 0.00 0.00 2.25 3.38 -0.53 -3.46 115.31 116.99 2ied h LEU 246 Ca -0.13 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.54 2ied h LEU 246 Cb 1.92 0.00 0.14 0.00 0.09 0.00 0.00 40.66 42.81 2ied h LEU 246 CO 0.16 0.25 0.17 -1.54 0.09 0.00 0.00 178.44 177.57 2ied n SER 247 N -3.85 -1.15 -1.10 -0.43 3.41 0.44 -4.78 113.62 106.17 2ied n SER 247 Ca -0.02 -1.13 0.08 0.00 -0.26 0.00 0.00 58.87 57.55 2ied n SER 247 Cb 0.34 -0.76 0.25 0.00 -0.26 0.00 0.00 64.21 63.78 2ied n SER 247 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2ied n ASP 248 N -4.13 3.19 -0.09 4.04 8.00 -1.26 -4.29 116.55 122.01 2ied n ASP 248 Ca 0.12 -2.10 0.14 0.00 0.71 0.00 0.00 54.79 53.66 2ied n ASP 248 Cb 0.44 -0.41 0.60 0.00 -0.02 0.00 0.00 41.12 41.73 2ied n ASP 248 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 2ied n TRP 249 N 1.03 0.00 -3.11 1.24 7.02 -1.26 -3.82 117.44 118.54 2ied n TRP 249 Ca 0.19 0.00 -0.23 0.00 -1.02 0.00 0.00 57.50 56.44 2ied n TRP 249 Cb 0.54 -0.22 -0.04 0.00 -2.42 0.00 0.00 31.31 29.17 2ied n TRP 249 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 2ied n LEU 250 N -1.06 2.48 -0.00 -0.99 4.77 -1.26 -4.92 117.00 116.03 2ied n LEU 250 Ca 0.13 -5.29 0.14 0.00 -0.03 0.00 0.00 56.01 50.97 2ied n LEU 250 Cb 0.28 0.08 0.66 0.00 -2.33 0.00 0.00 43.42 42.11 2ied n LEU 250 CO 0.25 2.28 0.98 -0.81 -1.33 0.00 0.00 177.39 178.75 2ied n PRO 251 N 0.23 0.13 -0.28 3.23 -0.04 -1.25 -2.91 135.00 134.10 2ied n PRO 251 Ca 0.27 -0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.80 2ied n PRO 251 Cb 0.52 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.67 2ied n PRO 251 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ied n ALA 252 N -1.44 2.57 -3.84 0.55 0.00 -1.26 -4.95 120.51 112.14 2ied n ALA 252 Ca 0.09 -1.85 -0.33 0.00 0.00 0.00 0.00 53.44 51.35 2ied n ALA 252 Cb 0.31 -0.53 -0.16 0.00 0.00 0.00 0.00 19.45 19.07 2ied n ALA 252 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2ied s THR 253 N -2.08 2.30 0.14 0.00 -1.32 -1.15 -5.08 115.64 108.46 2ied s THR 253 Ca 0.31 -0.87 -0.13 0.00 -1.21 0.00 0.00 61.69 59.79 2ied s THR 253 Cb 0.23 -1.97 0.02 0.00 -1.51 0.00 0.00 72.50 69.27 2ied s THR 253 CO 0.10 0.52 0.34 0.42 -2.21 0.00 0.00 174.62 173.80 2ied s THR 254 N 1.13 0.08 -0.39 5.08 -4.23 -1.26 -4.64 115.64 111.41 2ied s THR 254 Ca 0.01 -0.93 0.00 0.00 -1.18 0.00 0.00 61.69 59.59 2ied s THR 254 Cb -0.14 -1.42 0.00 0.00 1.34 0.00 0.00 72.50 72.28 2ied s THR 254 CO -0.07 -0.37 0.00 0.61 -0.54 0.00 0.00 174.62 174.25 2ied n GLY 255 N -0.20 0.62 3.74 3.99 0.00 0.75 -4.92 105.19 109.17 2ied n GLY 255 Ca -0.13 -0.28 -0.32 0.00 0.00 0.00 0.00 46.02 45.29 2ied n GLY 255 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2ied s ASP 256 N -2.39 4.05 -0.13 1.61 -1.08 -1.19 -4.42 116.67 113.12 2ied s ASP 256 Ca 0.00 -1.62 -0.00 0.00 -0.52 0.00 0.00 52.55 50.40 2ied s ASP 256 Cb 0.00 0.42 0.03 0.00 -1.46 0.00 0.00 42.92 41.91 2ied s ASP 256 CO 0.00 -0.81 -0.08 -0.63 0.52 0.00 0.00 175.17 174.17 2ied s ILE 257 N -2.87 1.12 -0.17 4.11 1.01 -1.26 -0.42 121.20 122.71 2ied s ILE 257 Ca 0.09 -0.43 -0.18 0.00 0.00 0.00 0.00 60.65 60.13 2ied s ILE 257 Cb 0.03 -1.17 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 2ied s ILE 257 CO 0.05 0.31 0.49 -0.63 0.00 0.00 0.00 174.94 175.16 2ied s ILE 258 N 1.66 5.14 -0.53 2.92 -1.09 0.41 -4.93 121.20 124.78 2ied s ILE 258 Ca 0.04 0.93 -0.19 0.00 -2.23 0.00 0.00 60.65 59.20 2ied s ILE 258 Cb -0.13 -3.82 0.07 0.00 -1.58 0.00 0.00 42.46 36.99 2ied s ILE 258 CO -0.08 0.24 0.66 -0.31 -1.23 0.00 0.00 174.94 174.21 2ied s TYR 259 N 1.24 3.02 -1.04 3.97 1.51 -1.26 0.67 117.35 125.47 2ied s TYR 259 Ca 0.24 -0.62 -0.06 0.00 -1.01 0.00 0.00 57.07 55.63 2ied s TYR 259 Cb -0.15 -3.66 0.27 0.00 -0.11 0.00 0.00 41.96 38.30 2ied s TYR 259 CO 0.10 -1.11 1.08 0.00 -1.11 0.00 0.00 175.55 174.51 2ied n ALA 260 N 6.26 4.29 -2.06 3.71 0.00 0.24 -4.70 120.51 128.25 2ied n ALA 260 Ca -0.07 -4.68 0.01 0.00 0.00 0.00 0.00 53.44 48.70 2ied n ALA 260 Cb 0.45 -2.17 0.00 0.00 0.00 0.00 0.00 19.45 17.73 2ied n ALA 260 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2ied n ASP 261 N 2.24 0.17 0.00 0.00 3.85 -1.26 -1.68 116.55 119.88 2ied n ASP 261 Ca 0.24 -2.01 0.00 0.00 -0.71 0.00 0.00 54.79 52.31 2ied n ASP 261 Cb 0.37 -0.22 0.00 0.00 -1.35 0.00 0.00 41.12 39.93 2ied n ASP 261 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 2ied n GLY 262 N 0.05 0.34 2.14 6.12 0.00 -1.26 -2.12 105.19 110.47 2ied n GLY 262 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2ied n GLY 262 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ied n GLY 263 N -1.56 0.46 0.37 -0.02 0.00 -1.26 -2.81 105.19 100.36 2ied n GLY 263 Ca 0.00 -0.17 0.11 0.00 0.00 0.00 0.00 46.02 45.96 2ied n GLY 263 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ied h ALA 264 N 0.00 1.81 0.00 4.61 0.00 -1.66 -1.49 119.26 122.53 2ied h ALA 264 Ca -0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2ied h ALA 264 Cb 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2ied h ALA 264 CO 0.02 -0.03 0.00 -2.39 0.00 0.00 0.00 179.25 176.85 2ied n HIS 265 N -4.55 0.00 1.10 0.00 1.44 -1.26 -2.76 115.22 109.18 2ied n HIS 265 Ca 0.16 0.00 0.12 0.00 -2.01 0.00 0.00 57.72 56.00 2ied n HIS 265 Cb 0.43 -0.15 0.18 0.00 0.12 0.00 0.00 29.99 30.57 2ied n HIS 265 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2ied n THR 266 N -1.15 0.00 -4.23 0.61 -2.24 -0.56 -4.94 114.28 101.76 2ied n THR 266 Ca 0.14 -0.45 -0.17 0.00 -2.27 0.00 0.00 64.05 61.30 2ied n THR 266 Cb 0.14 1.31 -0.13 0.00 -2.10 0.00 0.00 70.33 69.54 2ied n THR 266 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2ied s GLN 267 N -2.00 0.65 -0.06 -0.78 -1.52 -1.11 -5.09 119.66 109.75 2ied s GLN 267 Ca 0.30 -0.52 -0.03 0.00 -1.95 0.00 0.00 55.36 53.16 2ied s GLN 267 Cb 0.20 -0.58 -0.01 0.00 -0.22 0.00 0.00 33.01 32.40 2ied s GLN 267 CO 0.31 0.15 -0.06 1.25 -0.25 0.00 0.00 175.29 176.68 2ied h LEU 268 N 5.31 0.00 -1.26 2.90 5.85 -1.92 -3.49 115.31 122.71 2ied h LEU 268 Ca -0.33 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.39 2ied h LEU 268 Cb 1.19 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.22 2ied h LEU 268 CO 0.46 0.31 0.00 0.18 -0.34 0.00 0.00 178.44 179.05