#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i s PHE 26 N -1.21 2.89 0.00 0.00 5.36 -1.26 -2.00 117.98 121.76 1h2i s PHE 26 Ca 0.06 0.76 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1h2i s PHE 26 Cb -0.00 -3.99 0.00 0.00 -0.34 0.00 0.00 43.02 38.69 1h2i s PHE 26 CO 0.04 -3.42 0.00 0.41 -1.46 0.00 0.00 175.22 170.79 1h2i n GLY 27 N 2.68 1.15 0.00 13.12 0.00 0.25 -4.87 105.19 117.52 1h2i n GLY 27 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 1h2i n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1h2i n GLN 28 N -2.00 2.54 -1.89 1.61 6.02 -0.85 -3.93 117.38 118.88 1h2i n GLN 28 Ca 0.00 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.32 1h2i n GLN 28 Cb 0.00 -0.97 0.07 0.00 1.02 0.00 0.00 30.24 30.35 1h2i n GLN 28 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1h2i s GLN 30 N -5.46 0.62 0.25 0.00 0.74 -1.26 -4.28 119.66 110.28 1h2i s GLN 30 Ca 0.60 -0.11 -0.30 0.00 0.05 0.00 0.00 55.36 55.61 1h2i s GLN 30 Cb -0.11 -0.65 -0.09 0.00 1.10 0.00 0.00 33.01 33.25 1h2i s GLN 30 CO 0.51 -0.02 1.30 0.71 -0.55 0.00 0.00 175.29 177.23 1h2i s TYR 31 N 0.60 3.20 0.66 1.67 1.51 -1.26 -4.99 117.35 118.74 1h2i s TYR 31 Ca -0.07 1.30 -0.14 0.00 -1.01 0.00 0.00 57.07 57.15 1h2i s TYR 31 Cb -0.11 -3.62 -0.00 0.00 -0.11 0.00 0.00 41.96 38.12 1h2i s TYR 31 CO -0.00 -1.83 1.08 0.95 -1.11 0.00 0.00 175.55 174.63 1h2i s THR 32 N -0.40 3.63 0.26 -0.71 -4.23 -1.26 -4.80 115.64 108.13 1h2i s THR 32 Ca 0.53 0.67 -0.02 0.00 -1.18 0.00 0.00 61.69 61.70 1h2i s THR 32 Cb -0.38 -3.24 0.24 0.00 1.34 0.00 0.00 72.50 70.47 1h2i s THR 32 CO 0.43 -0.55 1.81 0.00 -0.54 0.00 0.00 174.62 175.78 1h2i h ALA 33 N -0.18 1.31 -0.18 3.99 0.00 -1.99 -0.26 119.26 121.95 1h2i h ALA 33 Ca -0.46 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1h2i h ALA 33 Cb 1.23 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1h2i h ALA 33 CO 0.55 0.13 0.04 1.49 0.00 0.00 0.00 179.25 181.46 1h2i h GLU 34 N 0.85 0.30 -0.42 0.00 4.81 -1.99 -0.98 114.58 117.15 1h2i h GLU 34 Ca 0.44 -0.07 -0.08 0.00 -0.13 0.00 0.00 59.36 59.52 1h2i h GLU 34 Cb 0.43 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1h2i h GLU 34 CO -0.26 0.44 -0.04 1.49 -0.73 0.00 0.00 179.01 179.90 1h2i h GLU 35 N 0.11 0.76 0.05 1.92 4.81 -1.85 -1.58 114.58 118.80 1h2i h GLU 35 Ca 0.06 -0.26 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 1h2i h GLU 35 Cb 0.27 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.55 1h2i h GLU 35 CO 0.00 0.86 -0.26 -0.92 -0.73 0.00 0.00 179.01 177.96 1h2i h TYR 36 N 0.59 -0.69 -0.45 0.92 3.20 -0.98 -0.17 116.97 119.38 1h2i h TYR 36 Ca 0.11 0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.03 1h2i h TYR 36 Cb 0.54 0.30 -0.03 0.00 1.54 0.00 0.00 36.73 39.08 1h2i h TYR 36 CO 0.04 -0.35 0.25 0.37 -1.64 0.00 0.00 178.16 176.83 1h2i h GLN 37 N -0.43 0.48 -0.58 1.82 4.15 -1.12 0.59 115.11 120.03 1h2i h GLN 37 Ca 0.05 -0.03 0.02 0.00 0.77 0.00 0.00 58.65 59.46 1h2i h GLN 37 Cb 0.49 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 1h2i h GLN 37 CO -0.20 0.32 0.36 0.00 -1.93 0.00 0.00 178.83 177.38 1h2i h ALA 38 N 1.22 0.74 -0.13 3.38 0.00 -0.94 -2.45 119.26 121.09 1h2i h ALA 38 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1h2i h ALA 38 Cb 0.05 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1h2i h ALA 38 CO -0.11 0.10 -0.05 0.82 0.00 0.00 0.00 179.25 180.02 1h2i h ILE 39 N 0.72 1.31 -0.65 0.00 2.04 -0.68 -1.05 117.51 119.19 1h2i h ILE 39 Ca 0.23 -1.04 0.14 0.00 1.00 0.00 0.00 64.86 65.18 1h2i h ILE 39 Cb -0.01 1.73 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 1h2i h ILE 39 CO -0.09 0.30 -0.05 1.56 0.00 0.00 0.00 178.15 179.88 1h2i h GLN 40 N -0.08 0.07 0.18 2.37 1.08 -0.77 0.16 115.11 118.13 1h2i h GLN 40 Ca 0.03 -0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 1h2i h GLN 40 Cb 0.49 -0.02 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1h2i h GLN 40 CO 0.02 0.05 -0.09 0.87 -0.95 0.00 0.00 178.83 178.73 1h2i h LYS 41 N 0.07 -0.24 -0.91 1.46 1.57 -1.37 -3.18 116.57 113.98 1h2i h LYS 41 Ca 0.34 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.25 1h2i h LYS 41 Cb 0.55 0.05 -0.08 0.00 0.08 0.00 0.00 32.23 32.83 1h2i h LYS 41 CO -0.60 0.03 0.53 0.00 -0.57 0.00 0.00 179.45 178.85 1h2i h ALA 42 N 0.26 1.35 -0.06 3.86 0.00 -0.36 -1.85 119.26 122.47 1h2i h ALA 42 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 42 Cb 0.38 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h2i h ALA 42 CO 0.04 0.11 0.06 -0.07 0.00 0.00 0.00 179.25 179.38 1h2i h LEU 43 N 0.84 0.00 -1.37 0.00 3.38 -0.70 -2.56 115.31 114.90 1h2i h LEU 43 Ca 0.46 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.36 1h2i h LEU 43 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 1h2i h LEU 43 CO -0.28 0.00 -0.31 0.03 0.09 0.00 0.00 178.44 177.96 1h2i h ARG 44 N 0.00 0.00 -6.76 1.13 3.08 -1.36 0.15 114.38 110.62 1h2i h ARG 44 Ca 0.03 0.00 -0.57 0.00 0.07 0.00 0.00 59.98 59.51 1h2i h ARG 44 Cb 0.14 0.00 0.13 0.00 0.08 0.00 0.00 29.97 30.32 1h2i h ARG 44 CO -0.00 0.31 0.30 1.04 -1.07 0.00 0.00 179.97 180.56 1h2i n GLN 45 N -4.08 1.52 -3.25 0.04 6.02 -0.96 -4.59 117.38 112.08 1h2i n GLN 45 Ca -0.02 0.55 -0.25 0.00 -0.01 0.00 0.00 57.00 57.27 1h2i n GLN 45 Cb 0.36 -2.21 -0.01 0.00 1.02 0.00 0.00 30.24 29.40 1h2i n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1h2i s ARG 46 N -2.23 3.52 0.03 -1.09 0.52 -1.26 -1.32 118.95 117.11 1h2i s ARG 46 Ca 0.65 -0.19 -0.03 0.00 -0.52 0.00 0.00 55.73 55.63 1h2i s ARG 46 Cb -0.51 -2.61 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1h2i s ARG 46 CO 0.55 0.10 0.23 -0.48 0.02 0.00 0.00 175.30 175.72 1h2i s LEU 47 N -4.27 4.36 1.18 2.53 2.34 -1.26 -4.91 118.68 118.64 1h2i s LEU 47 Ca 0.42 0.40 -0.16 0.00 0.06 0.00 0.00 54.13 54.85 1h2i s LEU 47 Cb -0.10 -2.81 0.28 0.00 -0.56 0.00 0.00 46.19 43.00 1h2i s LEU 47 CO 0.37 0.21 1.04 -0.83 -1.06 0.00 0.00 176.35 176.08 1h2i s GLY 48 N -2.11 1.53 0.61 -3.48 0.00 -1.26 -4.89 107.32 97.71 1h2i s GLY 48 Ca 0.31 -0.48 0.32 0.00 0.00 0.00 0.00 44.72 44.87 1h2i s GLY 48 CO 0.22 0.30 2.27 -2.55 0.00 0.00 0.00 173.10 173.33 1h2i h PRO 49 N -2.57 0.00 0.00 2.90 0.11 -1.96 -2.28 132.00 128.20 1h2i h PRO 49 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1h2i h PRO 49 Cb 1.33 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.44 1h2i h PRO 49 CO 0.46 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.40 1h2i n GLU 50 N -3.70 0.23 -0.08 1.05 0.00 -1.26 -2.71 120.64 114.17 1h2i n GLU 50 Ca -0.03 0.13 -0.08 0.00 0.00 0.00 0.00 57.16 57.18 1h2i n GLU 50 Cb 0.10 -1.50 -0.11 0.00 0.00 0.00 0.00 31.44 29.93 1h2i n GLU 50 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1h2i n TYR 51 N -1.22 0.00 -2.90 -1.84 4.02 -0.86 -5.00 117.16 109.37 1h2i n TYR 51 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.55 1h2i n TYR 51 Cb 0.08 -0.73 -0.04 0.00 -0.02 0.00 0.00 39.34 38.63 1h2i n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1h2i s ILE 52 N -2.36 4.76 0.33 -0.72 -1.09 -1.10 -4.41 121.20 116.61 1h2i s ILE 52 Ca -0.11 1.76 0.03 0.00 -2.23 0.00 0.00 60.65 60.10 1h2i s ILE 52 Cb 0.05 -4.18 -0.05 0.00 -1.58 0.00 0.00 42.46 36.70 1h2i s ILE 52 CO 0.57 0.30 0.08 -0.94 -1.23 0.00 0.00 174.94 173.72 1h2i s SER 53 N 0.27 2.22 0.10 3.58 1.04 -0.47 -4.98 113.70 115.46 1h2i s SER 53 Ca 0.42 -1.44 -0.12 0.00 0.48 0.00 0.00 55.95 55.29 1h2i s SER 53 Cb -0.21 0.08 0.02 0.00 0.10 0.00 0.00 66.02 66.01 1h2i s SER 53 CO 0.24 -0.70 0.29 -0.94 0.98 0.00 0.00 173.24 173.12 1h2i s SER 54 N -3.48 -0.05 0.18 7.02 1.04 -1.26 -1.20 113.70 115.95 1h2i s SER 54 Ca 0.34 -0.48 -0.01 0.00 0.48 0.00 0.00 55.95 56.28 1h2i s SER 54 Cb 0.07 0.40 -0.04 0.00 0.10 0.00 0.00 66.02 66.56 1h2i s SER 54 CO 0.15 -0.78 0.12 0.00 0.98 0.00 0.00 173.24 173.70 1h2i s ARG 55 N -3.80 1.14 -0.29 4.02 1.70 -0.67 -4.96 118.95 116.09 1h2i s ARG 55 Ca 0.04 -1.57 -0.18 0.00 -0.47 0.00 0.00 55.73 53.55 1h2i s ARG 55 Cb 0.03 0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 34.66 1h2i s ARG 55 CO -0.11 -0.36 0.50 -1.64 -1.08 0.00 0.00 175.30 172.60 1h2i s MET 56 N -4.13 3.95 0.77 3.89 -1.94 -1.26 -1.24 119.30 119.34 1h2i s MET 56 Ca 0.35 0.17 -0.11 0.00 -1.71 0.00 0.00 55.69 54.38 1h2i s MET 56 Cb 0.07 -3.69 0.05 0.00 2.01 0.00 0.00 34.83 33.27 1h2i s MET 56 CO 0.09 -0.42 1.09 0.00 -0.01 0.00 0.00 175.02 175.77 1h2i s ALA 57 N 2.31 2.39 0.34 3.03 0.00 0.36 -4.88 121.76 125.30 1h2i s ALA 57 Ca 0.20 -0.14 0.05 0.00 0.00 0.00 0.00 51.96 52.06 1h2i s ALA 57 Cb -0.16 -3.12 0.68 0.00 0.00 0.00 0.00 23.12 20.53 1h2i s ALA 57 CO 0.10 -1.57 1.91 0.78 0.00 0.00 0.00 175.76 176.98 1h2i h GLY 58 N -0.98 1.19 -0.89 0.00 0.00 -1.98 -0.30 103.07 100.12 1h2i h GLY 58 Ca -0.46 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.52 1h2i h GLY 58 CO 0.59 0.20 0.00 0.61 0.00 0.00 0.00 176.54 177.94 1h2i n GLY 59 N -1.42 0.72 3.44 4.60 0.00 -1.26 -4.74 105.19 106.53 1h2i n GLY 59 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.20 -0.53 3.10 -0.02 0.00 -0.13 -4.99 105.19 102.82 1h2i n GLY 60 Ca 0.00 0.20 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.15 1.31 0.35 1.61 -2.07 -1.22 -4.90 119.66 108.60 1h2i s GLN 61 Ca 0.50 -0.51 -0.29 0.00 -1.82 0.00 0.00 55.36 53.24 1h2i s GLN 61 Cb -0.23 -1.22 -0.11 0.00 -1.09 0.00 0.00 33.01 30.36 1h2i s GLN 61 CO 0.61 0.26 1.51 1.17 -1.32 0.00 0.00 175.29 177.52 1h2i n LYS 62 N 2.95 2.65 -3.93 9.60 4.81 -1.26 -0.49 118.16 132.50 1h2i n LYS 62 Ca -0.16 0.93 -0.25 0.00 -0.87 0.00 0.00 58.31 57.96 1h2i n LYS 62 Cb 0.54 -2.67 -0.17 0.00 0.02 0.00 0.00 35.03 32.75 1h2i n LYS 62 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1h2i s VAL 63 N -0.78 0.82 0.17 3.15 1.01 -0.37 -4.85 120.40 119.55 1h2i s VAL 63 Ca 0.57 -0.17 -0.10 0.00 0.00 0.00 0.00 61.98 62.28 1h2i s VAL 63 Cb -0.49 -0.87 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 1h2i s VAL 63 CO 0.59 0.33 0.49 0.00 0.00 0.00 0.00 175.10 176.51 1h2i s TYR 65 N -1.64 -0.15 -0.09 0.00 -0.85 -0.34 -4.99 117.35 109.28 1h2i s TYR 65 Ca 0.42 -0.20 0.02 0.00 -0.52 0.00 0.00 57.07 56.79 1h2i s TYR 65 Cb -0.13 0.66 -0.02 0.00 0.38 0.00 0.00 41.96 42.86 1h2i s TYR 65 CO 0.21 -0.97 -0.16 0.42 -1.52 0.00 0.00 175.55 173.53 1h2i s ILE 66 N -3.51 2.82 0.32 -3.49 1.01 -1.26 -1.37 121.20 115.73 1h2i s ILE 66 Ca 0.12 -0.77 -0.28 0.00 0.00 0.00 0.00 60.65 59.71 1h2i s ILE 66 Cb -0.03 -2.13 -0.10 0.00 0.01 0.00 0.00 42.46 40.21 1h2i s ILE 66 CO 0.04 0.55 1.22 -1.61 0.00 0.00 0.00 174.94 175.14 1h2i s GLU 67 N -0.05 4.41 0.25 2.79 2.02 -1.26 -4.88 118.70 121.98 1h2i s GLU 67 Ca -0.04 2.02 -0.05 0.00 0.02 0.00 0.00 54.97 56.92 1h2i s GLU 67 Cb -0.14 -3.05 0.48 0.00 0.10 0.00 0.00 34.13 31.52 1h2i s GLU 67 CO 0.04 -0.07 1.66 0.78 0.02 0.00 0.00 175.26 177.69 1h2i h GLY 68 N 3.41 0.99 2.00 -1.39 0.00 -1.99 1.00 103.07 107.09 1h2i h GLY 68 Ca -0.48 0.03 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1h2i h GLY 68 CO 0.65 -0.26 -0.05 1.12 0.00 0.00 0.00 176.54 178.00 1h2i h HIS 69 N 0.19 0.00 -0.18 5.60 2.07 -1.99 0.16 115.15 120.99 1h2i h HIS 69 Ca 0.43 0.00 -0.14 0.00 -2.85 0.00 0.00 60.37 57.81 1h2i h HIS 69 Cb 0.77 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.75 1h2i h HIS 69 CO -0.33 0.05 -0.43 0.00 -3.07 0.00 0.00 177.93 174.15 1h2i h ARG 70 N 0.00 0.62 -0.75 5.12 2.47 -1.18 -2.25 114.38 118.40 1h2i h ARG 70 Ca -0.00 -0.42 -0.05 0.00 -1.26 0.00 0.00 59.98 58.25 1h2i h ARG 70 Cb 0.10 0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 28.44 1h2i h ARG 70 CO 0.01 1.03 0.26 0.28 0.56 0.00 0.00 179.97 182.11 1h2i h VAL 71 N 0.29 1.26 -0.49 2.04 2.07 -0.75 0.13 116.25 120.80 1h2i h VAL 71 Ca -0.00 -0.87 0.02 0.00 0.82 0.00 0.00 66.70 66.67 1h2i h VAL 71 Cb 1.04 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1h2i h VAL 71 CO 0.09 0.35 0.29 0.40 0.02 0.00 0.00 177.57 178.72 1h2i h ILE 72 N 1.10 1.05 -0.31 4.57 2.04 -0.67 -0.38 117.51 124.91 1h2i h ILE 72 Ca 0.24 -0.20 -0.13 0.00 1.00 0.00 0.00 64.86 65.78 1h2i h ILE 72 Cb 0.27 0.42 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 1h2i h ILE 72 CO -0.01 0.11 -0.33 0.78 0.00 0.00 0.00 178.15 178.69 1h2i h ASN 73 N 0.58 0.70 -0.51 1.72 2.35 -0.88 -0.59 115.58 118.94 1h2i h ASN 73 Ca 0.19 -0.29 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1h2i h ASN 73 Cb 0.02 -0.20 -0.04 0.00 0.05 0.00 0.00 38.32 38.16 1h2i h ASN 73 CO -0.09 0.98 0.30 -0.07 -1.65 0.00 0.00 177.43 176.90 1h2i h LEU 74 N 0.57 0.47 -0.49 1.61 3.38 -0.34 -1.13 115.31 119.38 1h2i h LEU 74 Ca 0.06 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 1h2i h LEU 74 Cb 0.84 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1h2i h LEU 74 CO 0.07 0.33 0.16 0.00 0.09 0.00 0.00 178.44 179.09 1h2i h ALA 75 N 1.24 0.63 -0.51 1.53 0.00 -0.71 0.83 119.26 122.27 1h2i h ALA 75 Ca 0.21 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 75 Cb 0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1h2i h ALA 75 CO -0.11 0.27 0.09 -0.91 0.00 0.00 0.00 179.25 178.60 1h2i h ASN 76 N 0.65 0.75 0.75 0.00 2.35 -0.72 -0.53 115.58 118.83 1h2i h ASN 76 Ca 0.16 -0.14 -0.22 0.00 -0.55 0.00 0.00 56.30 55.54 1h2i h ASN 76 Cb 0.25 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 1h2i h ASN 76 CO -0.01 0.76 -1.02 -0.33 -1.65 0.00 0.00 177.43 175.18 1h2i h GLU 77 N 0.76 0.15 -0.10 0.81 4.39 -1.01 0.46 114.58 120.03 1h2i h GLU 77 Ca 0.16 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.54 1h2i h GLU 77 Cb 0.33 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1h2i h GLU 77 CO 0.00 1.04 -0.40 1.98 -1.16 0.00 0.00 179.01 180.48 1h2i h MET 78 N 0.06 0.45 -0.00 2.33 4.05 -0.51 -3.38 114.93 117.92 1h2i h MET 78 Ca -0.06 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.01 1h2i h MET 78 Cb 1.73 0.07 0.00 0.00 -0.80 0.00 0.00 31.60 32.60 1h2i h MET 78 CO 0.15 0.98 -0.34 1.19 0.23 0.00 0.00 176.91 179.12 1h2i n PHE 79 N -4.33 0.00 0.00 1.39 3.72 -0.23 -4.97 117.46 113.04 1h2i n PHE 79 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1h2i n PHE 79 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1h2i n PHE 79 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1h2i n GLY 80 N 1.10 0.75 0.32 1.37 0.00 0.16 -3.30 105.19 105.59 1h2i n GLY 80 Ca 0.02 -1.62 0.17 0.00 0.00 0.00 0.00 46.02 44.59 1h2i n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1h2i h TYR 81 N 0.00 0.00 -0.27 1.61 -0.00 -1.89 -0.58 116.97 115.84 1h2i h TYR 81 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.73 1h2i h TYR 81 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 36.73 1h2i h TYR 81 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1h2i n ASN 82 N -3.68 3.93 -0.00 0.10 2.04 -1.26 -4.53 115.26 111.86 1h2i n ASN 82 Ca -0.01 -3.01 0.09 0.00 -0.44 0.00 0.00 54.58 51.21 1h2i n ASN 82 Cb 0.21 -0.55 -0.11 0.00 -2.53 0.00 0.00 39.78 36.80 1h2i n ASN 82 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1h2i n GLY 83 N -0.47 -0.72 3.08 4.83 0.00 -0.23 -4.72 105.19 106.97 1h2i n GLY 83 Ca 0.21 -0.48 -0.07 0.00 0.00 0.00 0.00 46.02 45.68 1h2i n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1h2i s TRP 84 N -2.84 0.47 0.17 1.61 1.48 -1.25 -0.80 118.94 117.77 1h2i s TRP 84 Ca 0.03 -0.97 -0.15 0.00 -1.06 0.00 0.00 56.10 53.94 1h2i s TRP 84 Cb 0.13 -0.35 0.02 0.00 -1.16 0.00 0.00 33.47 32.11 1h2i s TRP 84 CO 0.74 -0.36 0.44 0.00 -4.06 0.00 0.00 176.95 173.71 1h2i s ALA 85 N -3.60 -0.73 -0.10 2.67 0.00 0.97 -4.96 121.76 116.01 1h2i s ALA 85 Ca 0.04 -0.33 -0.19 0.00 0.00 0.00 0.00 51.96 51.48 1h2i s ALA 85 Cb 0.06 0.81 0.04 0.00 0.00 0.00 0.00 23.12 24.03 1h2i s ALA 85 CO -0.09 -0.73 0.47 -3.38 0.00 0.00 0.00 175.76 172.03 1h2i s HIS 86 N -3.88 -0.45 0.22 0.00 -3.43 -1.26 0.62 115.29 107.11 1h2i s HIS 86 Ca 0.09 0.93 0.03 0.00 -0.80 0.00 0.00 55.06 55.32 1h2i s HIS 86 Cb 0.01 0.20 -0.05 0.00 -1.43 0.00 0.00 32.58 31.31 1h2i s HIS 86 CO -0.04 -0.37 0.00 -1.54 -2.00 0.00 0.00 174.74 170.79 1h2i s SER 87 N -0.56 1.62 -0.46 7.38 1.04 0.18 -4.97 113.70 117.93 1h2i s SER 87 Ca -0.07 -1.22 -0.13 0.00 0.48 0.00 0.00 55.95 55.01 1h2i s SER 87 Cb -0.03 0.05 0.08 0.00 0.10 0.00 0.00 66.02 66.21 1h2i s SER 87 CO 0.04 -0.54 0.35 -0.63 0.98 0.00 0.00 173.24 173.44 1h2i s ILE 88 N -3.51 4.88 0.32 -1.02 1.01 -1.26 -1.29 121.20 120.33 1h2i s ILE 88 Ca 0.28 -1.20 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1h2i s ILE 88 Cb 0.06 -3.95 0.07 0.00 0.01 0.00 0.00 42.46 38.65 1h2i s ILE 88 CO 0.08 -0.57 1.75 0.71 0.00 0.00 0.00 174.94 176.91 1h2i h THR 89 N 5.87 1.28 -1.47 2.92 1.35 -1.03 -3.46 112.91 118.37 1h2i h THR 89 Ca -0.27 -1.35 0.12 0.00 -0.55 0.00 0.00 66.41 64.36 1h2i h THR 89 Cb 1.10 1.57 -0.24 0.00 -1.73 0.00 0.00 68.15 68.85 1h2i h THR 89 CO 0.84 0.40 0.63 -1.58 -0.25 0.00 0.00 175.52 175.57 1h2i s GLN 90 N -4.28 0.49 -0.04 4.72 0.74 -1.21 -5.00 119.66 115.08 1h2i s GLN 90 Ca -0.05 0.11 0.01 0.00 0.05 0.00 0.00 55.36 55.49 1h2i s GLN 90 Cb 0.14 0.23 0.02 0.00 1.10 0.00 0.00 33.01 34.50 1h2i s GLN 90 CO 0.76 -0.15 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.16 1h2i s GLN 91 N -1.13 0.81 -0.07 1.67 0.74 -1.26 -0.43 119.66 119.98 1h2i s GLN 91 Ca 0.01 -0.13 0.02 0.00 0.05 0.00 0.00 55.36 55.30 1h2i s GLN 91 Cb -0.01 -0.80 0.01 0.00 1.10 0.00 0.00 33.01 33.32 1h2i s GLN 91 CO -0.00 -0.04 -0.12 1.21 -0.55 0.00 0.00 175.29 175.78 1h2i s ASN 92 N 0.73 1.80 -0.36 6.67 3.84 0.41 -4.99 114.94 123.03 1h2i s ASN 92 Ca -0.10 -0.30 -0.26 0.00 0.21 0.00 0.00 52.86 52.41 1h2i s ASN 92 Cb -0.13 -0.84 0.01 0.00 -0.55 0.00 0.00 41.25 39.75 1h2i s ASN 92 CO 0.00 0.03 0.91 -0.69 -2.79 0.00 0.00 177.10 174.57 1h2i s VAL 93 N 0.66 4.62 0.16 -5.21 1.01 -1.26 -1.40 120.40 118.98 1h2i s VAL 93 Ca -0.15 1.21 -0.05 0.00 0.00 0.00 0.00 61.98 62.99 1h2i s VAL 93 Cb -0.16 -4.31 -0.11 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 93 CO 0.04 -0.49 1.41 0.44 0.00 0.00 0.00 175.10 176.50 1h2i h ASP 94 N 8.40 0.64 -4.08 3.32 3.45 -0.80 -3.48 116.42 123.87 1h2i h ASP 94 Ca -0.23 -0.40 0.18 0.00 0.43 0.00 0.00 57.03 57.01 1h2i h ASP 94 Cb 1.08 -0.19 -0.21 0.00 -0.56 0.00 0.00 39.33 39.46 1h2i h ASP 94 CO 0.97 1.16 0.71 0.72 -1.57 0.00 0.00 179.24 181.23 1h2i s PHE 95 N -3.72 -0.21 -0.30 4.55 -0.12 -1.17 -4.98 117.98 112.03 1h2i s PHE 95 Ca -0.07 0.25 -0.03 0.00 -0.05 0.00 0.00 56.93 57.03 1h2i s PHE 95 Cb 0.10 0.50 0.10 0.00 -0.63 0.00 0.00 43.02 43.09 1h2i s PHE 95 CO 0.86 -0.27 0.12 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.94 0.30 -0.04 -2.49 1.01 -1.26 -2.58 120.40 113.40 1h2i s VAL 96 Ca 0.06 -1.03 -0.00 0.00 0.00 0.00 0.00 61.98 61.00 1h2i s VAL 96 Cb -0.01 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.09 1h2i s VAL 96 CO -0.04 -0.72 0.01 -1.81 0.00 0.00 0.00 175.10 172.55 1h2i s ASP 97 N 1.89 5.27 -0.29 3.32 1.01 0.70 -4.94 116.67 123.63 1h2i s ASP 97 Ca 0.10 0.09 -0.01 0.00 0.71 0.00 0.00 52.55 53.44 1h2i s ASP 97 Cb -0.17 -1.45 0.05 0.00 1.01 0.00 0.00 42.92 42.36 1h2i s ASP 97 CO -0.32 0.33 -0.02 -0.22 0.21 0.00 0.00 175.17 175.15 1h2i s LEU 98 N -1.25 3.82 0.00 1.23 2.96 -1.26 0.42 118.68 124.59 1h2i s LEU 98 Ca 0.17 -1.28 0.07 0.00 -0.22 0.00 0.00 54.13 52.87 1h2i s LEU 98 Cb -0.11 -1.69 0.11 0.00 0.50 0.00 0.00 46.19 45.00 1h2i s LEU 98 CO 0.07 -0.25 0.90 0.59 -1.32 0.00 0.00 176.35 176.34 1h2i n ASN 99 N 4.60 1.98 0.00 3.68 5.03 -0.82 -4.98 115.26 124.75 1h2i n ASN 99 Ca -0.13 -1.58 0.00 0.00 0.87 0.00 0.00 54.58 53.74 1h2i n ASN 99 Cb 0.43 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 39.13 1h2i n ASN 99 CO 0.00 0.00 0.00 0.59 -1.83 0.00 0.00 177.26 176.02 1h2i n ASN 100 N 0.28 0.00 -0.06 6.41 3.02 -1.26 -4.91 115.26 118.74 1h2i n ASN 100 Ca 0.05 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.61 1h2i n ASN 100 Cb 0.25 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.43 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1h2i n GLY 101 N 0.00 2.87 3.59 7.41 0.00 -1.26 -5.02 105.19 112.79 1h2i n GLY 101 Ca 0.00 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.70 1h2i n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1h2i s LYS 102 N -0.98 2.16 -0.08 1.61 1.02 -1.26 -4.51 119.74 117.70 1h2i s LYS 102 Ca 0.02 -1.12 -0.04 0.00 0.02 0.00 0.00 55.97 54.85 1h2i s LYS 102 Cb 0.01 -2.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.01 1h2i s LYS 102 CO 0.01 0.47 0.10 -0.06 -0.92 0.00 0.00 175.35 174.96 1h2i s PHE 103 N -1.48 3.44 -0.22 3.18 0.40 0.34 -1.95 117.98 121.69 1h2i s PHE 103 Ca 0.24 0.38 0.02 0.00 -0.60 0.00 0.00 56.93 56.96 1h2i s PHE 103 Cb -0.10 -1.86 0.05 0.00 0.51 0.00 0.00 43.02 41.62 1h2i s PHE 103 CO 0.15 0.63 -0.12 0.71 0.70 0.00 0.00 175.22 177.30 1h2i s TYR 104 N -1.05 2.76 -0.07 0.36 1.51 0.17 -1.47 117.35 119.55 1h2i s TYR 104 Ca 0.17 -1.87 0.03 0.00 -1.01 0.00 0.00 57.07 54.39 1h2i s TYR 104 Cb -0.12 -1.78 0.01 0.00 -0.11 0.00 0.00 41.96 39.96 1h2i s TYR 104 CO 0.07 -0.80 -0.16 0.08 -1.11 0.00 0.00 175.55 173.62 1h2i s VAL 105 N 1.28 1.44 -0.12 0.71 1.01 0.30 -0.21 120.40 124.82 1h2i s VAL 105 Ca -0.03 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.30 1h2i s VAL 105 Cb -0.17 -1.28 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1h2i s VAL 105 CO -0.08 0.42 -0.18 -0.83 0.00 0.00 0.00 175.10 174.43 1h2i s GLY 106 N 0.48 1.17 -0.00 4.51 0.00 -1.06 -1.62 107.32 110.80 1h2i s GLY 106 Ca -0.14 -0.87 0.03 0.00 0.00 0.00 0.00 44.72 43.74 1h2i s GLY 106 CO 0.05 0.09 -0.09 0.14 0.00 0.00 0.00 173.10 173.29 1h2i s VAL 107 N 0.86 0.73 0.10 1.40 1.01 -0.22 -0.01 120.40 124.27 1h2i s VAL 107 Ca -0.08 -0.48 0.10 0.00 0.00 0.00 0.00 61.98 61.52 1h2i s VAL 107 Cb -0.15 -0.63 -0.04 0.00 0.00 0.00 0.00 36.38 35.56 1h2i s VAL 107 CO -0.01 0.15 -0.25 0.00 0.00 0.00 0.00 175.10 174.99 1h2i s ALA 109 N -1.00 0.85 -0.27 0.00 0.00 -0.33 -0.45 121.76 120.56 1h2i s ALA 109 Ca 0.11 -0.50 -0.06 0.00 0.00 0.00 0.00 51.96 51.52 1h2i s ALA 109 Cb -0.10 -0.19 0.00 0.00 0.00 0.00 0.00 23.12 22.83 1h2i s ALA 109 CO 0.04 0.19 0.05 -0.06 0.00 0.00 0.00 175.76 175.99 1h2i s PHE 110 N -0.37 3.11 -0.13 0.00 0.40 0.42 -0.74 117.98 120.67 1h2i s PHE 110 Ca 0.03 -0.94 -0.00 0.00 -0.60 0.00 0.00 56.93 55.41 1h2i s PHE 110 Cb -0.05 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.25 1h2i s PHE 110 CO -0.00 -0.55 -0.13 0.08 0.70 0.00 0.00 175.22 175.32 1h2i s VAL 111 N 1.50 3.09 -0.19 -0.44 1.01 -0.62 -0.31 120.40 124.44 1h2i s VAL 111 Ca 0.03 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.33 1h2i s VAL 111 Cb -0.16 -2.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.91 1h2i s VAL 111 CO 0.01 0.52 -0.06 -0.60 0.00 0.00 0.00 175.10 174.97 1h2i s ARG 112 N 0.32 3.41 -0.00 2.72 3.52 -0.41 -1.77 118.95 126.72 1h2i s ARG 112 Ca -0.10 -0.63 0.03 0.00 -0.13 0.00 0.00 55.73 54.90 1h2i s ARG 112 Cb -0.16 -2.92 -0.03 0.00 -1.56 0.00 0.00 34.95 30.28 1h2i s ARG 112 CO 0.05 -0.07 -0.07 0.54 -0.81 0.00 0.00 175.30 174.95 1h2i s VAL 113 N 1.12 3.64 0.03 7.11 0.11 -0.09 -0.64 120.40 131.68 1h2i s VAL 113 Ca 0.01 -0.75 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 1h2i s VAL 113 Cb -0.15 -2.57 -0.02 0.00 -1.53 0.00 0.00 36.38 32.11 1h2i s VAL 113 CO -0.01 0.42 -0.07 -1.58 -3.33 0.00 0.00 175.10 170.53 1h2i s GLN 114 N -1.35 0.49 0.33 1.54 0.74 0.20 -1.67 119.66 119.95 1h2i s GLN 114 Ca 0.16 -0.67 0.04 0.00 0.05 0.00 0.00 55.36 54.94 1h2i s GLN 114 Cb -0.11 -0.26 -0.02 0.00 1.10 0.00 0.00 33.01 33.72 1h2i s GLN 114 CO 0.07 0.05 0.50 -0.51 -0.55 0.00 0.00 175.29 174.84 1h2i s LEU 115 N -1.38 4.01 0.40 3.68 1.02 -0.50 -0.02 118.68 125.87 1h2i s LEU 115 Ca -0.09 0.10 0.24 0.00 0.02 0.00 0.00 54.13 54.39 1h2i s LEU 115 Cb -0.09 -2.97 1.28 0.00 0.02 0.00 0.00 46.19 44.43 1h2i s LEU 115 CO 0.00 -0.36 1.70 0.07 0.02 0.00 0.00 176.35 177.78 1h2i h LYS 116 N 0.84 0.00 -0.54 1.70 2.10 -1.25 0.32 116.57 119.74 1h2i h LYS 116 Ca -0.48 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.06 1h2i h LYS 116 Cb 1.24 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.55 1h2i h LYS 116 CO 0.58 0.00 -0.09 0.22 -2.00 0.00 0.00 179.45 178.16 1h2i h ASP 117 N 0.00 0.99 0.00 7.07 -0.00 -1.84 0.97 116.42 123.62 1h2i h ASP 117 Ca 0.00 -0.31 0.00 0.00 -0.00 0.00 0.00 57.03 56.72 1h2i h ASP 117 Cb 0.18 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.24 1h2i h ASP 117 CO 0.00 1.09 0.00 0.61 -0.00 0.00 0.00 179.24 180.94 1h2i n GLY 118 N -0.33 1.20 3.78 -0.78 0.00 0.10 -4.53 105.19 104.63 1h2i n GLY 118 Ca 0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.70 1h2i n GLY 118 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1h2i s SER 119 N -1.87 5.51 0.19 1.61 1.04 -1.26 -4.77 113.70 114.15 1h2i s SER 119 Ca 0.00 2.06 -0.17 0.00 0.48 0.00 0.00 55.95 58.32 1h2i s SER 119 Cb 0.00 -2.56 0.03 0.00 0.10 0.00 0.00 66.02 63.59 1h2i s SER 119 CO 0.00 -1.36 0.51 -0.72 0.98 0.00 0.00 173.24 172.65 1h2i s TYR 120 N -2.07 -0.12 -0.09 5.02 -0.85 -1.26 -1.42 117.35 116.56 1h2i s TYR 120 Ca 0.69 -0.22 -0.09 0.00 -0.52 0.00 0.00 57.07 56.94 1h2i s TYR 120 Cb -0.21 0.37 0.02 0.00 0.38 0.00 0.00 41.96 42.52 1h2i s TYR 120 CO 0.33 -0.89 0.25 -1.01 -1.52 0.00 0.00 175.55 172.72 1h2i s HIS 121 N -3.87 -0.26 0.03 -3.49 3.76 -0.67 -5.00 115.29 105.80 1h2i s HIS 121 Ca 0.09 0.63 0.05 0.00 -0.15 0.00 0.00 55.06 55.67 1h2i s HIS 121 Cb -0.01 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 1h2i s HIS 121 CO -0.04 -0.15 -0.14 -2.00 -0.85 0.00 0.00 174.74 171.56 1h2i s GLU 122 N 0.01 0.97 0.29 1.40 2.12 -1.26 -0.91 118.70 121.31 1h2i s GLU 122 Ca -0.01 -0.74 -0.11 0.00 0.36 0.00 0.00 54.97 54.47 1h2i s GLU 122 Cb -0.02 -0.98 0.00 0.00 0.26 0.00 0.00 34.13 33.40 1h2i s GLU 122 CO 0.01 0.24 0.51 0.34 -0.54 0.00 0.00 175.26 175.82 1h2i s ASP 123 N -1.07 0.16 0.04 -1.70 -1.08 -0.73 -4.88 116.67 107.43 1h2i s ASP 123 Ca 0.02 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 50.97 1h2i s ASP 123 Cb -0.08 0.63 -0.04 0.00 -1.46 0.00 0.00 42.92 41.98 1h2i s ASP 123 CO 0.01 -1.24 0.16 0.68 0.52 0.00 0.00 175.17 175.30 1h2i s VAL 124 N -3.60 5.11 0.16 1.11 -7.23 -1.26 -1.58 120.40 113.11 1h2i s VAL 124 Ca 0.24 -0.44 0.07 0.00 -1.81 0.00 0.00 61.98 60.03 1h2i s VAL 124 Cb -0.01 -3.45 -0.04 0.00 0.56 0.00 0.00 36.38 33.44 1h2i s VAL 124 CO 0.12 0.19 -0.15 -0.83 -0.31 0.00 0.00 175.10 174.13 1h2i s GLY 125 N -2.29 1.27 0.03 2.32 0.00 0.08 -4.50 107.32 104.23 1h2i s GLY 125 Ca 0.31 -1.49 0.05 0.00 0.00 0.00 0.00 44.72 43.59 1h2i s GLY 125 CO 0.23 -1.56 -0.13 -0.47 0.00 0.00 0.00 173.10 171.17 1h2i s TYR 126 N -2.53 1.18 -0.03 1.90 5.04 -1.26 -1.19 117.35 120.47 1h2i s TYR 126 Ca 0.16 -0.33 0.05 0.00 -2.44 0.00 0.00 57.07 54.52 1h2i s TYR 126 Cb -0.03 -0.71 -0.01 0.00 0.35 0.00 0.00 41.96 41.56 1h2i s TYR 126 CO 0.05 0.02 -0.19 0.20 -1.34 0.00 0.00 175.55 174.29 1h2i s GLY 127 N -0.98 0.98 0.01 8.97 0.00 0.20 -3.99 107.32 112.51 1h2i s GLY 127 Ca 0.02 -0.81 0.03 0.00 0.00 0.00 0.00 44.72 43.95 1h2i s GLY 127 CO 0.01 -0.59 -0.09 0.14 0.00 0.00 0.00 173.10 172.57 1h2i s VAL 128 N -0.27 0.73 -0.15 1.40 1.01 -1.26 -1.05 120.40 120.80 1h2i s VAL 128 Ca 0.03 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.37 1h2i s VAL 128 Cb -0.09 -0.65 0.07 0.00 0.00 0.00 0.00 36.38 35.70 1h2i s VAL 128 CO 0.01 0.06 0.18 -0.55 0.00 0.00 0.00 175.10 174.79 1h2i s SER 129 N -0.60 1.25 -0.10 3.32 0.15 -0.64 -4.56 113.70 112.52 1h2i s SER 129 Ca 0.01 -0.04 0.01 0.00 0.70 0.00 0.00 55.95 56.63 1h2i s SER 129 Cb -0.05 0.25 0.02 0.00 -1.71 0.00 0.00 66.02 64.53 1h2i s SER 129 CO 0.00 -0.30 -0.11 -1.61 1.20 0.00 0.00 173.24 172.43 1h2i s GLU 130 N 2.29 1.76 0.00 5.44 2.02 -1.26 -0.53 118.70 128.42 1h2i s GLU 130 Ca 0.04 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.65 1h2i s GLU 130 Cb -0.14 -1.61 0.00 0.00 0.10 0.00 0.00 34.13 32.48 1h2i s GLU 130 CO -0.09 -0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1h2i n GLY 131 N 4.40 1.91 3.76 -1.39 0.00 -0.54 -5.02 105.19 108.30 1h2i n GLY 131 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.54 1h2i n GLY 131 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1h2i s LEU 132 N 0.00 2.85 -0.01 0.99 1.43 -1.26 -4.61 118.68 118.07 1h2i s LEU 132 Ca 0.00 1.73 0.21 0.00 -1.03 0.00 0.00 54.13 55.04 1h2i s LEU 132 Cb 0.00 -4.37 -0.26 0.00 0.03 0.00 0.00 46.19 41.59 1h2i s LEU 132 CO 0.00 -2.15 0.76 0.29 0.23 0.00 0.00 176.35 175.49 1h2i n LYS 133 N -3.59 0.22 -3.23 1.70 5.02 -1.26 -0.50 118.16 116.52 1h2i n LYS 133 Ca 0.08 -0.07 -0.39 0.00 -2.02 0.00 0.00 58.31 55.92 1h2i n LYS 133 Cb 0.54 -1.51 -0.07 0.00 -0.02 0.00 0.00 35.03 33.97 1h2i n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1h2i s SER 134 N -3.51 6.59 -0.01 4.39 0.15 -1.26 -4.82 113.70 115.23 1h2i s SER 134 Ca 0.03 0.70 -0.25 0.00 0.70 0.00 0.00 55.95 57.13 1h2i s SER 134 Cb 0.15 -2.30 -0.19 0.00 -1.71 0.00 0.00 66.02 61.98 1h2i s SER 134 CO 0.88 -0.19 1.29 0.50 1.20 0.00 0.00 173.24 176.92 1h2i h LYS 135 N 7.44 -0.10 -0.13 5.44 3.64 -1.98 -1.88 116.57 129.01 1h2i h LYS 135 Ca -0.34 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.10 1h2i h LYS 135 Cb 1.15 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1h2i h LYS 135 CO 0.74 0.30 -0.28 0.00 -2.27 0.00 0.00 179.45 177.94 1h2i h ALA 136 N 0.36 -0.30 -0.24 5.00 0.00 -1.99 0.90 119.26 122.98 1h2i h ALA 136 Ca -0.01 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1h2i h ALA 136 Cb 0.44 0.54 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 1h2i h ALA 136 CO 0.02 -0.75 0.10 -0.07 0.00 0.00 0.00 179.25 178.55 1h2i h LEU 137 N -0.36 0.30 -0.06 0.00 -0.00 -1.97 -0.39 115.31 112.83 1h2i h LEU 137 Ca 0.10 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 137 Cb 0.51 -0.08 -0.00 0.00 -0.00 0.00 0.00 40.66 41.09 1h2i h LEU 137 CO -0.33 0.27 -0.07 0.28 -0.00 0.00 0.00 178.44 178.59 1h2i h SER 138 N 0.34 0.16 -0.25 -0.43 0.02 -0.36 -1.92 113.55 111.11 1h2i h SER 138 Ca 0.09 -0.51 -0.00 0.00 -0.84 0.00 0.00 61.79 60.52 1h2i h SER 138 Cb 0.06 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 62.54 1h2i h SER 138 CO -0.01 0.65 0.15 -0.07 -1.14 0.00 0.00 176.83 176.41 1h2i h LEU 139 N -0.31 0.30 -0.27 5.07 -0.00 -0.63 -1.36 115.31 118.10 1h2i h LEU 139 Ca 0.01 -0.04 0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1h2i h LEU 139 Cb 0.61 -0.07 -0.06 0.00 -0.00 0.00 0.00 40.66 41.13 1h2i h LEU 139 CO 0.02 0.25 -0.12 -0.08 -0.00 0.00 0.00 178.44 178.50 1h2i h GLU 140 N 0.32 -0.08 -0.16 1.13 4.81 -1.08 0.16 114.58 119.68 1h2i h GLU 140 Ca 0.09 0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1h2i h GLU 140 Cb -0.00 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 1h2i h GLU 140 CO -0.02 -0.06 0.06 -0.22 -0.73 0.00 0.00 179.01 178.04 1h2i h LYS 141 N -0.09 0.13 -0.64 1.92 3.64 -1.10 -1.94 116.57 118.50 1h2i h LYS 141 Ca 0.14 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1h2i h LYS 141 Cb 0.30 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 1h2i h LYS 141 CO -0.33 0.09 0.09 0.00 -2.27 0.00 0.00 179.45 177.04 1h2i h ALA 142 N 1.10 0.85 -0.45 5.00 0.00 -0.79 -1.26 119.26 123.71 1h2i h ALA 142 Ca 0.07 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.61 1h2i h ALA 142 Cb 0.04 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1h2i h ALA 142 CO -0.07 0.62 -0.11 0.00 0.00 0.00 0.00 179.25 179.69 1h2i h ARG 143 N 0.98 0.87 -0.44 0.00 3.08 -0.57 -2.16 114.38 116.14 1h2i h ARG 143 Ca 0.19 -0.34 -0.08 0.00 0.07 0.00 0.00 59.98 59.83 1h2i h ARG 143 Cb 0.45 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 1h2i h ARG 143 CO 0.01 0.98 -0.03 0.87 -1.07 0.00 0.00 179.97 180.73 1h2i h LYS 144 N 0.71 0.80 0.00 0.04 1.57 -1.19 -2.67 116.57 115.82 1h2i h LYS 144 Ca 0.11 -0.27 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 1h2i h LYS 144 Cb 0.66 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1h2i h LYS 144 CO 0.05 0.88 -0.38 0.93 -0.57 0.00 0.00 179.45 180.35 1h2i h GLU 145 N 0.63 0.00 -0.39 3.15 5.08 -1.20 -1.93 114.58 119.92 1h2i h GLU 145 Ca 0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.44 1h2i h GLU 145 Cb 0.54 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.77 1h2i h GLU 145 CO 0.03 0.38 0.09 0.00 -1.00 0.00 0.00 179.01 178.52 1h2i h ALA 146 N 1.62 0.52 0.06 3.43 0.00 -1.11 0.24 119.26 124.01 1h2i h ALA 146 Ca -0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 1h2i h ALA 146 Cb 0.81 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1h2i h ALA 146 CO 0.05 0.20 -0.03 0.28 0.00 0.00 0.00 179.25 179.75 1h2i h VAL 147 N 0.50 1.06 -0.75 0.00 2.07 -1.11 -0.28 116.25 117.74 1h2i h VAL 147 Ca 0.12 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.25 1h2i h VAL 147 Cb 0.32 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 1h2i h VAL 147 CO 0.00 0.10 0.47 0.74 0.02 0.00 0.00 177.57 178.90 1h2i h THR 148 N -0.25 1.21 -0.68 2.57 2.02 -1.20 0.90 112.91 117.48 1h2i h THR 148 Ca -0.01 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1h2i h THR 148 Cb 0.22 0.14 -0.03 0.00 -1.74 0.00 0.00 68.15 66.74 1h2i h THR 148 CO 0.01 0.21 0.42 -0.78 0.37 0.00 0.00 175.52 175.76 1h2i h ASP 149 N 1.02 0.81 -0.52 4.18 -0.00 -0.36 -0.68 116.42 120.87 1h2i h ASP 149 Ca 0.27 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.03 57.18 1h2i h ASP 149 Cb -0.06 -0.20 -0.02 0.00 -0.00 0.00 0.00 39.33 39.05 1h2i h ASP 149 CO -0.05 0.62 0.02 1.23 -0.00 0.00 0.00 179.24 181.05 1h2i h GLY 150 N 0.92 0.97 1.01 -0.78 0.00 -0.33 -1.08 103.07 103.78 1h2i h GLY 150 Ca 0.25 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.88 1h2i h GLY 150 CO -0.05 0.64 0.46 -2.00 0.00 0.00 0.00 176.54 175.59 1h2i h LEU 151 N 0.77 0.81 -0.39 3.11 5.85 -0.32 -0.52 115.31 124.63 1h2i h LEU 151 Ca 0.15 -0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 1h2i h LEU 151 Cb 0.49 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.30 1h2i h LEU 151 CO 0.02 0.60 0.12 0.11 -0.34 0.00 0.00 178.44 178.95 1h2i h LYS 152 N 0.95 0.61 -0.23 1.25 1.57 -0.87 -1.26 116.57 118.59 1h2i h LYS 152 Ca 0.26 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 1h2i h LYS 152 Cb -0.09 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.12 1h2i h LYS 152 CO -0.05 0.61 0.09 0.00 -0.57 0.00 0.00 179.45 179.53 1h2i h ARG 153 N 0.49 0.35 -0.42 3.15 3.08 -0.90 -2.08 114.38 118.04 1h2i h ARG 153 Ca 0.13 -0.07 0.07 0.00 0.07 0.00 0.00 59.98 60.18 1h2i h ARG 153 Cb 0.26 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1h2i h ARG 153 CO -0.00 0.41 0.04 0.00 -1.07 0.00 0.00 179.97 179.35 1h2i h ALA 154 N 0.92 0.43 -0.30 0.04 0.00 -0.94 -1.94 119.26 117.46 1h2i h ALA 154 Ca 0.08 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1h2i h ALA 154 Cb 0.19 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1h2i h ALA 154 CO -0.01 -0.36 0.18 -0.07 0.00 0.00 0.00 179.25 179.00 1h2i h LEU 155 N 0.16 0.35 -1.50 0.00 4.07 -1.03 -2.36 115.31 115.00 1h2i h LEU 155 Ca 0.21 -0.01 0.21 0.00 0.08 0.00 0.00 57.88 58.37 1h2i h LEU 155 Cb 0.28 -0.09 -0.07 0.00 1.08 0.00 0.00 40.66 41.87 1h2i h LEU 155 CO -0.31 0.28 0.61 0.03 -1.08 0.00 0.00 178.44 177.96 1h2i h ARG 156 N 0.41 0.39 -0.22 1.13 3.08 -0.63 -1.45 114.38 117.09 1h2i h ARG 156 Ca 0.11 -0.02 0.06 0.00 0.07 0.00 0.00 59.98 60.20 1h2i h ARG 156 Cb -0.01 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 29.94 1h2i h ARG 156 CO -0.02 0.26 0.32 0.77 -1.07 0.00 0.00 179.97 180.22 1h2i h SER 157 N 0.40 0.00 1.54 7.04 0.02 -1.49 -0.87 113.55 120.19 1h2i h SER 157 Ca 0.48 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.42 1h2i h SER 157 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.75 1h2i h SER 157 CO -0.19 0.00 -0.04 -0.26 -1.14 0.00 0.00 176.83 175.20 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.46 -3.49 116.94 114.43 1h2i h PHE 158 Ca 0.10 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.88 1h2i h PHE 158 Cb 0.74 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.30 1h2i h PHE 158 CO 0.00 0.04 0.00 0.41 -1.61 0.00 0.00 178.31 177.15 1h2i n GLY 159 N 0.65 0.39 0.25 -1.45 0.00 -0.33 -4.95 105.19 99.75 1h2i n GLY 159 Ca 0.02 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.33 1h2i n GLY 159 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1h2i h ASN 160 N 0.00 0.72 -0.01 1.61 2.35 -1.51 -1.78 115.58 116.96 1h2i h ASN 160 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 1h2i h ASN 160 Cb 0.00 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.19 1h2i h ASN 160 CO 0.00 0.56 0.07 0.00 -1.65 0.00 0.00 177.43 176.41 1h2i h ALA 161 N 1.19 1.17 -0.47 -0.83 0.00 0.58 0.19 119.26 121.08 1h2i h ALA 161 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 1h2i h ALA 161 Cb -0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1h2i h ALA 161 CO -0.04 -0.08 0.00 1.28 0.00 0.00 0.00 179.25 180.41 1h2i n LEU 162 N -3.18 4.59 0.00 0.00 7.99 -0.82 -4.92 117.00 120.67 1h2i n LEU 162 Ca -0.03 -2.73 0.00 0.00 -0.01 0.00 0.00 56.01 53.25 1h2i n LEU 162 Cb 0.14 -0.56 0.00 0.00 -0.11 0.00 0.00 43.42 42.89 1h2i n LEU 162 CO 0.20 0.71 0.00 0.61 -1.51 0.00 0.00 177.39 177.40 1h2i n GLY 163 N 0.40 1.08 0.29 -0.72 0.00 0.05 -3.73 105.19 102.55 1h2i n GLY 163 Ca 0.24 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.45 1h2i n GLY 163 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1h2i h ASN 164 N 0.00 0.00 0.03 1.61 -0.00 -1.34 -2.59 115.58 113.28 1h2i h ASN 164 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 56.30 56.07 1h2i h ASN 164 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 38.32 38.33 1h2i h ASN 164 CO 0.00 0.00 -0.86 0.00 -0.00 0.00 0.00 177.43 176.57 1h2i n ILE 166 N -3.87 0.00 -0.09 0.00 0.00 -0.98 0.60 119.36 115.01 1h2i n ILE 166 Ca -0.08 0.84 0.04 0.00 0.00 0.00 0.00 62.75 63.56 1h2i n ILE 166 Cb 0.79 -1.42 0.11 0.00 0.00 0.00 0.00 39.64 39.12 1h2i n ILE 166 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1h2i n LEU 167 N -2.95 2.63 -4.52 9.51 -0.00 -1.26 -4.91 117.00 115.50 1h2i n LEU 167 Ca 0.23 -1.91 -0.42 0.00 -0.00 0.00 0.00 56.01 53.92 1h2i n LEU 167 Cb 1.12 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 44.34 1h2i n LEU 167 CO 0.23 0.65 1.00 -0.62 -0.00 0.00 0.00 177.39 178.65 1h2i s ASP 168 N -0.97 6.22 0.43 1.45 3.68 0.20 -4.93 116.67 122.75 1h2i s ASP 168 Ca 0.17 -0.52 0.24 0.00 2.13 0.00 0.00 52.55 54.58 1h2i s ASP 168 Cb 0.09 -2.51 1.25 0.00 -1.45 0.00 0.00 42.92 40.30 1h2i s ASP 168 CO 0.12 -1.63 1.74 0.11 0.13 0.00 0.00 175.17 175.65 1h2i h LYS 169 N 9.77 0.25 0.00 4.34 1.57 -1.91 0.37 116.57 130.97 1h2i h LYS 169 Ca -0.28 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.39 1h2i h LYS 169 Cb 1.06 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.30 1h2i h LYS 169 CO 1.22 0.17 -0.48 -0.44 -0.57 0.00 0.00 179.45 179.35 1h2i h ASP 170 N 0.26 0.00 -0.02 0.86 3.32 -1.95 -0.29 116.42 118.59 1h2i h ASP 170 Ca 0.64 0.00 -0.18 0.00 0.02 0.00 0.00 57.03 57.51 1h2i h ASP 170 Cb 1.87 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.44 1h2i h ASP 170 CO -0.27 0.48 -0.68 0.22 -1.72 0.00 0.00 179.24 177.27 1h2i h TYR 171 N 0.00 0.73 -0.30 4.55 3.20 -0.63 -2.48 116.97 122.04 1h2i h TYR 171 Ca -0.00 -0.38 -0.00 0.00 3.14 0.00 0.00 58.73 61.48 1h2i h TYR 171 Cb 0.91 -0.09 -0.01 0.00 1.54 0.00 0.00 36.73 39.07 1h2i h TYR 171 CO 0.00 1.20 0.18 -0.07 -1.64 0.00 0.00 178.16 177.83 1h2i h LEU 172 N 0.06 0.36 -0.07 2.82 3.38 -1.09 -1.36 115.31 119.41 1h2i h LEU 172 Ca -0.08 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.88 1h2i h LEU 172 Cb 1.37 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.98 1h2i h LEU 172 CO 0.14 0.30 -0.19 -0.09 0.09 0.00 0.00 178.44 178.69 1h2i h ARG 173 N 0.39 -0.26 0.00 1.13 2.43 -1.09 -0.68 114.38 116.30 1h2i h ARG 173 Ca 0.11 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 1h2i h ARG 173 Cb 0.01 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1h2i h ARG 173 CO -0.02 -0.17 0.00 -1.13 -1.51 0.00 0.00 179.97 177.14 1h2i n SER 174 N -5.33 0.04 0.10 -3.80 3.41 -0.93 -2.09 113.62 105.01 1h2i n SER 174 Ca -0.04 0.51 -0.19 0.00 -0.26 0.00 0.00 58.87 58.89 1h2i n SER 174 Cb 0.24 -0.52 -0.15 0.00 -0.26 0.00 0.00 64.21 63.53 1h2i n SER 174 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1h2i h LEU 175 N 0.00 0.53 -1.55 1.04 3.38 0.00 -3.27 115.31 115.44 1h2i h LEU 175 Ca 0.00 -0.63 -0.04 0.00 0.09 0.00 0.00 57.88 57.30 1h2i h LEU 175 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1h2i h LEU 175 CO 0.00 1.51 -0.13 0.78 0.09 0.00 0.00 178.44 180.69 1h2i h ASN 176 N 0.09 0.12 0.00 -0.43 2.35 -0.76 -2.78 115.58 114.17 1h2i h ASN 176 Ca -0.22 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 1h2i h ASN 176 Cb 2.05 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 40.39 1h2i h ASN 176 CO 0.21 0.27 0.00 0.29 -1.65 0.00 0.00 177.43 176.54 1h2i n LYS 177 N -4.32 0.84 -4.43 0.81 5.02 -1.17 -4.75 118.16 110.16 1h2i n LYS 177 Ca -0.01 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 56.03 1h2i n LYS 177 Cb 0.24 -1.08 -0.10 0.00 -0.02 0.00 0.00 35.03 34.07 1h2i n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1h2i s LEU 178 N 0.00 2.63 1.21 -0.35 1.43 -1.05 -5.08 118.68 117.46 1h2i s LEU 178 Ca 0.00 -0.92 -0.15 0.00 -1.03 0.00 0.00 54.13 52.04 1h2i s LEU 178 Cb 0.00 -1.22 0.30 0.00 0.03 0.00 0.00 46.19 45.30 1h2i s LEU 178 CO 0.00 0.06 1.01 -2.84 0.23 0.00 0.00 176.35 174.82 1h2i s PRO 179 N -3.24 -1.26 1.20 1.29 0.02 -1.26 -4.95 135.00 126.80 1h2i s PRO 179 Ca 0.27 0.65 -0.19 0.00 0.02 0.00 0.00 61.00 61.75 1h2i s PRO 179 Cb -0.06 -1.53 0.29 0.00 0.02 0.00 0.00 34.50 33.22 1h2i s PRO 179 CO 0.14 -3.90 0.66 0.54 -0.33 0.00 0.00 177.00 174.11 1h2i n ARG 180 N -5.01 -3.51 -3.84 5.54 1.74 -1.26 -5.02 116.66 105.29 1h2i n ARG 180 Ca 0.04 -1.10 -0.21 0.00 -0.77 0.00 0.00 57.85 55.81 1h2i n ARG 180 Cb 0.56 -1.60 -0.17 0.00 -1.02 0.00 0.00 32.46 30.22 1h2i n ARG 180 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1h2i s GLN 181 N -4.36 0.55 0.17 5.56 2.00 -1.26 -5.14 119.66 117.17 1h2i s GLN 181 Ca 0.51 0.09 0.04 0.00 -2.00 0.00 0.00 55.36 54.00 1h2i s GLN 181 Cb -0.09 -0.85 -0.04 0.00 0.80 0.00 0.00 33.01 32.83 1h2i s GLN 181 CO 0.42 -0.25 0.22 -0.48 -0.50 0.00 0.00 175.29 174.71 1h2i s LEU 182 N 1.70 4.09 0.10 3.68 2.34 -1.26 -5.03 118.68 124.30 1h2i s LEU 182 Ca 0.01 0.02 -0.36 0.00 0.06 0.00 0.00 54.13 53.86 1h2i s LEU 182 Cb -0.13 -2.67 -0.17 0.00 -0.56 0.00 0.00 46.19 42.66 1h2i s LEU 182 CO -0.04 0.04 1.23 -2.65 -1.06 0.00 0.00 176.35 173.88 1h2i n PRO 183 N -0.56 0.97 -2.78 1.48 -0.02 -1.26 -4.92 135.00 127.90 1h2i n PRO 183 Ca -0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 63.50 61.42 1h2i n PRO 183 Cb 0.55 -1.91 -0.07 0.00 -0.02 0.00 0.00 33.50 32.05 1h2i n PRO 183 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1h2i s LEU 184 N 0.54 3.97 -0.21 2.45 0.20 -1.26 -5.03 118.68 119.34 1h2i s LEU 184 Ca 0.81 1.73 -0.15 0.00 0.69 0.00 0.00 54.13 57.22 1h2i s LEU 184 Cb -0.97 -4.49 -0.04 0.00 -0.43 0.00 0.00 46.19 40.27 1h2i s LEU 184 CO 0.50 -0.38 0.35 -1.61 -0.29 0.00 0.00 176.35 174.92 1h2i s GLU 185 N -3.07 4.16 -0.08 1.98 0.41 -1.26 -5.07 118.70 115.77 1h2i s GLU 185 Ca 0.61 0.11 -0.15 0.00 -0.41 0.00 0.00 54.97 55.13 1h2i s GLU 185 Cb -0.11 -3.53 -0.05 0.00 -1.78 0.00 0.00 34.13 28.66 1h2i s GLU 185 CO 0.15 -0.01 0.38 0.08 -0.49 0.00 0.00 175.26 175.37 1h2i s VAL 186 N 1.23 5.17 -0.35 2.63 1.01 -1.26 -5.06 120.40 123.78 1h2i s VAL 186 Ca 0.17 0.76 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 1h2i s VAL 186 Cb -0.14 -3.70 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1h2i s VAL 186 CO 0.07 0.47 0.24 -0.62 0.00 0.00 0.00 175.10 175.26 1h2i s ASP 187 N -0.25 5.99 -0.10 3.32 3.68 -1.26 -4.96 116.67 123.09 1h2i s ASP 187 Ca 0.22 -0.52 0.17 0.00 2.13 0.00 0.00 52.55 54.56 1h2i s ASP 187 Cb -0.15 -2.12 0.67 0.00 -1.45 0.00 0.00 42.92 39.87 1h2i s ASP 187 CO 0.10 -0.26 1.57 0.18 0.13 0.00 0.00 175.17 176.88 1h2i n LEU 188 N 5.09 4.41 -0.30 -1.34 4.77 -1.26 -4.51 117.00 123.87 1h2i n LEU 188 Ca -0.13 -2.22 0.11 0.00 -0.03 0.00 0.00 56.01 53.74 1h2i n LEU 188 Cb 0.49 -0.55 0.28 0.00 -2.33 0.00 0.00 43.42 41.31 1h2i n LEU 188 CO 0.37 0.78 1.05 0.74 -1.33 0.00 0.00 177.39 179.00 1h2i h THR 189 N 3.86 0.55 -1.09 -5.08 2.02 -2.05 -1.17 112.91 109.95 1h2i h THR 189 Ca 0.00 -0.16 -0.61 0.00 0.77 0.00 0.00 66.41 66.41 1h2i h THR 189 Cb 1.33 0.05 -0.38 0.00 -1.74 0.00 0.00 68.15 67.42 1h2i h THR 189 CO 0.20 0.08 -0.19 0.29 0.37 0.00 0.00 175.52 176.28 1h2i n LYS 190 N -5.00 3.26 -2.70 6.66 5.02 -1.26 -5.03 118.16 119.11 1h2i n LYS 190 Ca 0.20 -3.95 -0.39 0.00 -2.02 0.00 0.00 58.31 52.15 1h2i n LYS 190 Cb 0.58 -2.28 -0.06 0.00 -0.02 0.00 0.00 35.03 33.26 1h2i n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1h2i s ALA 191 N -3.70 3.30 0.15 7.82 0.00 -0.45 -4.97 121.76 123.92 1h2i s ALA 191 Ca 0.54 0.65 -0.32 0.00 0.00 0.00 0.00 51.96 52.83 1h2i s ALA 191 Cb 0.44 -3.23 -0.12 0.00 0.00 0.00 0.00 23.12 20.21 1h2i s ALA 191 CO -0.06 0.11 1.77 1.17 0.00 0.00 0.00 175.76 178.74 1h2i n LYS 192 N 1.10 2.67 0.00 0.00 4.81 -1.26 -4.85 118.16 120.63 1h2i n LYS 192 Ca -0.00 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1h2i n LYS 192 Cb 0.48 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.70 1h2i n LYS 192 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1h2i n ARG 193 N 4.82 5.71 -4.29 1.64 1.74 -1.26 -5.05 116.66 119.97 1h2i n ARG 193 Ca 0.17 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 57.10 1h2i n ARG 193 Cb 0.35 -0.54 -0.10 0.00 -1.02 0.00 0.00 32.46 31.14 1h2i n ARG 193 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 1h2i s GLN 194 N -1.08 1.16 -0.03 5.56 -0.21 -1.26 -5.07 119.66 118.73 1h2i s GLN 194 Ca 0.00 -1.50 -0.22 0.00 0.02 0.00 0.00 55.36 53.66 1h2i s GLN 194 Cb 0.00 -0.82 -0.24 0.00 1.00 0.00 0.00 33.01 32.95 1h2i s GLN 194 CO 0.00 0.12 1.05 -0.44 -2.12 0.00 0.00 175.29 173.89 1h2i h ASP 195 N 2.71 0.36 -1.97 5.90 3.45 -2.04 -3.46 116.42 121.37 1h2i h ASP 195 Ca -0.37 -0.78 -0.63 0.00 0.43 0.00 0.00 57.03 55.67 1h2i h ASP 195 Cb 1.20 -0.11 0.05 0.00 -0.56 0.00 0.00 39.33 39.92 1h2i h ASP 195 CO 0.63 1.10 0.65 -0.11 -1.57 0.00 0.00 179.24 179.93 1h2i n LEU 196 N -4.37 2.40 -3.88 1.55 -0.00 -1.26 -4.97 117.00 106.47 1h2i n LEU 196 Ca -0.10 1.10 -0.29 0.00 -0.00 0.00 0.00 56.01 56.71 1h2i n LEU 196 Cb 0.59 -1.31 -0.13 0.00 -0.00 0.00 0.00 43.42 42.57 1h2i n LEU 196 CO 0.43 -0.64 -0.16 -1.61 -0.00 0.00 0.00 177.39 175.40 1h2i s GLU 197 N 0.87 1.95 0.17 1.96 0.41 -1.26 -5.00 118.70 117.80 1h2i s GLU 197 Ca 0.82 -2.69 -0.19 0.00 -0.41 0.00 0.00 54.97 52.51 1h2i s GLU 197 Cb -0.82 -3.13 0.09 0.00 -1.78 0.00 0.00 34.13 28.49 1h2i s GLU 197 CO 0.43 -1.17 1.64 -1.35 -0.49 0.00 0.00 175.26 174.33 1h2i h PRO 198 N 6.24 -0.10 -0.72 0.39 0.11 -1.99 0.13 132.00 136.06 1h2i h PRO 198 Ca -0.00 0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.17 1h2i h PRO 198 Cb 0.86 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 31.94 1h2i h PRO 198 CO 0.65 -0.07 0.42 0.66 -0.21 0.00 0.00 178.00 179.45 1h2i h SER 199 N -0.11 0.64 0.05 -2.05 4.64 -2.00 -0.89 113.55 113.84 1h2i h SER 199 Ca 0.19 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.53 1h2i h SER 199 Cb 0.39 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1h2i h SER 199 CO -0.44 0.41 -0.02 0.58 -0.87 0.00 0.00 176.83 176.49 1h2i h VAL 200 N 0.77 1.00 -0.42 0.95 2.07 -1.66 -1.90 116.25 117.06 1h2i h VAL 200 Ca 0.31 -0.16 0.03 0.00 0.82 0.00 0.00 66.70 67.71 1h2i h VAL 200 Cb 0.16 1.11 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1h2i h VAL 200 CO -0.17 0.04 0.28 -0.08 0.02 0.00 0.00 177.57 177.66 1h2i h GLU 201 N -0.13 0.43 0.18 1.57 4.57 -0.29 0.06 114.58 120.97 1h2i h GLU 201 Ca -0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 1h2i h GLU 201 Cb 0.12 -0.10 0.00 0.00 -0.16 0.00 0.00 28.75 28.61 1h2i h GLU 201 CO 0.01 0.28 -0.09 1.49 -1.18 0.00 0.00 179.01 179.53 1h2i h GLU 202 N 0.44 -0.24 -0.92 1.92 4.81 -0.82 0.68 114.58 120.46 1h2i h GLU 202 Ca 0.17 0.02 0.09 0.00 -0.13 0.00 0.00 59.36 59.50 1h2i h GLU 202 Cb 0.14 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 29.51 1h2i h GLU 202 CO -0.04 0.10 0.60 0.00 -0.73 0.00 0.00 179.01 178.94 1h2i h ALA 203 N 0.11 1.56 0.00 2.92 0.00 -0.62 0.15 119.26 123.37 1h2i h ALA 203 Ca -0.03 -0.01 -0.20 0.00 0.00 0.00 0.00 54.91 54.67 1h2i h ALA 203 Cb 0.45 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1h2i h ALA 203 CO 0.04 0.27 -0.88 -0.09 0.00 0.00 0.00 179.25 178.59 1h2i h ARG 204 N 0.98 0.22 -0.49 0.00 2.43 -0.83 -3.02 114.38 113.67 1h2i h ARG 204 Ca 0.42 -0.24 -0.11 0.00 -0.81 0.00 0.00 59.98 59.23 1h2i h ARG 204 Cb 0.32 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.92 1h2i h ARG 204 CO -0.18 0.97 -0.14 -0.92 -1.51 0.00 0.00 179.97 178.19 1h2i h TYR 205 N 0.12 1.03 0.00 2.20 3.20 0.20 -2.33 116.97 121.39 1h2i h TYR 205 Ca -0.05 -0.22 0.00 0.00 3.14 0.00 0.00 58.73 61.61 1h2i h TYR 205 Cb 1.51 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.53 1h2i h TYR 205 CO 0.03 0.99 0.00 0.09 -1.64 0.00 0.00 178.16 177.64 1h2i n ASN 206 N -4.14 0.00 -0.07 -2.11 3.02 0.38 -3.91 115.26 108.42 1h2i n ASN 206 Ca 0.01 -1.14 -0.04 0.00 -0.03 0.00 0.00 54.58 53.38 1h2i n ASN 206 Cb 0.41 0.00 -0.16 0.00 -0.61 0.00 0.00 39.78 39.42 1h2i n ASN 206 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1h2i n SER 207 N -0.73 0.02 0.07 6.41 3.41 -0.88 -4.49 113.62 117.42 1h2i n SER 207 Ca 0.08 0.01 0.11 0.00 -0.26 0.00 0.00 58.87 58.81 1h2i n SER 207 Cb 0.04 1.26 0.45 0.00 -0.26 0.00 0.00 64.21 65.69 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88