#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1h2i n PHE 26 N -2.96 2.32 -0.08 0.00 7.35 -1.26 -1.39 117.46 121.44 1h2i n PHE 26 Ca 0.10 0.43 0.00 0.00 -0.76 0.00 0.00 57.45 57.21 1h2i n PHE 26 Cb 0.34 -2.48 0.00 0.00 0.35 0.00 0.00 39.48 37.69 1h2i n PHE 26 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1h2i n GLY 27 N 1.85 1.31 0.01 7.13 0.00 -0.22 -4.85 105.19 110.41 1h2i n GLY 27 Ca 0.09 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 2.13 -1.94 1.61 6.02 -0.49 -4.09 117.38 118.62 1h2i n GLN 28 Ca 0.00 -1.28 -0.30 0.00 -0.01 0.00 0.00 57.00 55.42 1h2i n GLN 28 Cb 0.00 -0.88 0.04 0.00 1.02 0.00 0.00 30.24 30.42 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 -5.31 0.98 0.31 0.00 0.74 -1.26 -4.26 119.66 110.86 1h2i s GLN 30 Ca 0.58 -0.25 -0.29 0.00 0.05 0.00 0.00 55.36 55.45 1h2i s GLN 30 Cb -0.11 -0.91 -0.10 0.00 1.10 0.00 0.00 33.01 32.99 1h2i s GLN 30 CO 0.51 0.04 1.27 0.71 -0.55 0.00 0.00 175.29 177.28 1h2i s TYR 31 N 0.45 3.16 0.54 1.67 1.51 -1.26 -4.99 117.35 118.43 1h2i s TYR 31 Ca -0.07 1.44 -0.18 0.00 -1.01 0.00 0.00 57.07 57.26 1h2i s TYR 31 Cb -0.11 -3.61 -0.06 0.00 -0.11 0.00 0.00 41.96 38.07 1h2i s TYR 31 CO 0.01 -1.65 1.04 0.95 -1.11 0.00 0.00 175.55 174.79 1h2i s THR 32 N -1.03 3.89 0.30 -0.71 -4.23 -1.26 -4.80 115.64 107.79 1h2i s THR 32 Ca 0.49 1.01 0.04 0.00 -1.18 0.00 0.00 61.69 62.04 1h2i s THR 32 Cb -0.38 -3.45 0.29 0.00 1.34 0.00 0.00 72.50 70.30 1h2i s THR 32 CO 0.50 -0.42 1.82 0.00 -0.54 0.00 0.00 174.62 175.98 1h2i h ALA 33 N 0.96 1.60 -0.07 3.99 0.00 -1.99 0.49 119.26 124.24 1h2i h ALA 33 Ca -0.48 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1h2i h ALA 33 Cb 1.22 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 1h2i h ALA 33 CO 0.59 0.11 0.02 1.49 0.00 0.00 0.00 179.25 181.46 1h2i h GLU 34 N 0.90 0.11 -0.49 0.00 4.81 -1.99 -0.95 114.58 116.96 1h2i h GLU 34 Ca 0.52 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.62 1h2i h GLU 34 Cb 0.63 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 1h2i h GLU 34 CO -0.29 0.27 -0.11 1.49 -0.73 0.00 0.00 179.01 179.63 1h2i h GLU 35 N -0.08 0.94 -0.07 1.92 4.81 -1.78 -1.80 114.58 118.53 1h2i h GLU 35 Ca 0.02 -0.36 0.03 0.00 -0.13 0.00 0.00 59.36 58.93 1h2i h GLU 35 Cb 0.21 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.49 1h2i h GLU 35 CO -0.00 1.02 -0.13 -0.92 -0.73 0.00 0.00 179.01 178.25 1h2i h TYR 36 N 0.79 -0.32 -0.54 0.92 3.20 -0.87 -1.66 116.97 118.49 1h2i h TYR 36 Ca 0.12 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 62.00 1h2i h TYR 36 Cb 0.67 0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1h2i h TYR 36 CO 0.05 -0.19 0.31 0.37 -1.64 0.00 0.00 178.16 177.06 1h2i h GLN 37 N -0.18 0.74 -0.91 1.82 4.15 -1.03 0.72 115.11 120.43 1h2i h GLN 37 Ca 0.07 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1h2i h GLN 37 Cb 0.28 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 1h2i h GLN 37 CO -0.18 0.55 0.52 0.00 -1.93 0.00 0.00 178.83 177.79 1h2i h ALA 38 N 1.15 1.16 -0.12 3.38 0.00 -1.11 -2.60 119.26 121.11 1h2i h ALA 38 Ca 0.19 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.80 1h2i h ALA 38 Cb 0.01 -0.36 0.01 0.00 0.00 0.00 0.00 17.79 17.45 1h2i h ALA 38 CO -0.03 0.65 -0.62 0.82 0.00 0.00 0.00 179.25 180.06 1h2i h ILE 39 N 1.26 1.33 -0.63 0.00 2.04 -0.98 -1.15 117.51 119.38 1h2i h ILE 39 Ca 0.32 -1.89 0.11 0.00 1.00 0.00 0.00 64.86 64.40 1h2i h ILE 39 Cb -0.00 2.11 -0.08 0.00 -0.74 0.00 0.00 36.82 38.11 1h2i h ILE 39 CO -0.06 0.58 0.21 1.56 0.00 0.00 0.00 178.15 180.44 1h2i h GLN 40 N 0.29 0.35 0.28 2.37 1.08 -0.71 0.13 115.11 118.90 1h2i h GLN 40 Ca -0.04 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1h2i h GLN 40 Cb 1.26 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 28.61 1h2i h GLN 40 CO 0.13 0.23 -0.13 0.87 -0.95 0.00 0.00 178.83 178.98 1h2i h LYS 41 N 0.36 -0.36 -0.77 1.46 1.57 -1.46 -3.20 116.57 114.18 1h2i h LYS 41 Ca 0.33 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.28 1h2i h LYS 41 Cb 0.45 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1h2i h LYS 41 CO -0.35 -0.03 0.51 0.00 -0.57 0.00 0.00 179.45 179.01 1h2i h ALA 42 N -0.19 2.11 0.00 3.86 0.00 -0.80 -1.32 119.26 122.92 1h2i h ALA 42 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1h2i h ALA 42 Cb 0.50 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h2i h ALA 42 CO 0.06 -0.32 -0.10 -0.07 0.00 0.00 0.00 179.25 178.83 1h2i h LEU 43 N 0.42 0.00 -1.05 0.00 3.38 -0.97 -3.02 115.31 114.07 1h2i h LEU 43 Ca 0.38 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.25 1h2i h LEU 43 Cb 0.86 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 1h2i h LEU 43 CO -0.12 0.10 -0.42 0.03 0.09 0.00 0.00 178.44 178.11 1h2i h ARG 44 N 0.00 0.10 -6.59 1.13 3.08 -1.28 0.95 114.38 111.77 1h2i h ARG 44 Ca -0.00 -0.05 -0.59 0.00 0.07 0.00 0.00 59.98 59.41 1h2i h ARG 44 Cb 0.46 -0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.62 1h2i h ARG 44 CO 0.01 0.51 0.28 1.04 -1.07 0.00 0.00 179.97 180.74 1h2i n GLN 45 N -4.03 1.66 -3.11 0.04 6.02 -1.14 -4.58 117.38 112.25 1h2i n GLN 45 Ca -0.02 0.58 -0.27 0.00 -0.01 0.00 0.00 57.00 57.29 1h2i n GLN 45 Cb 0.47 -2.05 -0.02 0.00 1.02 0.00 0.00 30.24 29.66 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 -1.71 3.58 0.02 -1.09 1.81 -1.26 -1.28 118.95 119.02 1h2i s ARG 46 Ca 0.58 0.01 -0.05 0.00 -1.72 0.00 0.00 55.73 54.55 1h2i s ARG 46 Cb -0.64 -2.55 -0.05 0.00 -0.45 0.00 0.00 34.95 31.26 1h2i s ARG 46 CO 0.61 0.06 0.26 -0.48 -0.68 0.00 0.00 175.30 175.06 1h2i s LEU 47 N -4.11 4.36 1.25 2.53 2.34 -1.26 -4.92 118.68 118.86 1h2i s LEU 47 Ca 0.44 0.49 -0.18 0.00 0.06 0.00 0.00 54.13 54.95 1h2i s LEU 47 Cb -0.10 -2.75 0.30 0.00 -0.56 0.00 0.00 46.19 43.08 1h2i s LEU 47 CO 0.36 0.23 1.02 -0.83 -1.06 0.00 0.00 176.35 176.06 1h2i s GLY 48 N -1.90 1.51 0.55 -3.48 0.00 -1.26 -4.90 107.32 97.84 1h2i s GLY 48 Ca 0.29 -0.60 0.24 0.00 0.00 0.00 0.00 44.72 44.66 1h2i s GLY 48 CO 0.19 0.25 2.17 -2.55 0.00 0.00 0.00 173.10 173.16 1h2i h PRO 49 N -2.81 0.00 0.00 2.90 0.11 -1.96 -2.47 132.00 127.77 1h2i h PRO 49 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 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 0.41 0.04 0.00 -0.85 -0.21 0.00 0.00 178.00 177.38 1h2i n GLU 50 N -4.04 0.04 -0.10 1.05 0.00 -1.26 -2.57 120.64 113.75 1h2i n GLU 50 Ca -0.03 0.32 -0.11 0.00 0.00 0.00 0.00 57.16 57.35 1h2i n GLU 50 Cb 0.13 -1.50 -0.14 0.00 0.00 0.00 0.00 31.44 29.92 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 -1.42 0.00 -2.90 -1.84 4.02 -0.93 -4.98 117.16 109.11 1h2i n TYR 51 Ca 0.02 0.00 -0.40 0.00 -0.01 0.00 0.00 57.90 57.51 1h2i n TYR 51 Cb 0.07 -0.95 -0.05 0.00 -0.02 0.00 0.00 39.34 38.40 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 -2.47 4.75 0.33 -0.72 -1.09 -1.06 -4.41 121.20 116.53 1h2i s ILE 52 Ca -0.14 1.75 0.03 0.00 -2.23 0.00 0.00 60.65 60.06 1h2i s ILE 52 Cb 0.06 -4.17 -0.05 0.00 -1.58 0.00 0.00 42.46 36.72 1h2i s ILE 52 CO 0.74 0.31 0.09 -0.94 -1.23 0.00 0.00 174.94 173.91 1h2i s SER 53 N 0.23 2.19 0.13 3.58 1.04 -0.41 -4.98 113.70 115.48 1h2i s SER 53 Ca 0.42 -1.46 -0.11 0.00 0.48 0.00 0.00 55.95 55.29 1h2i s SER 53 Cb -0.21 0.13 0.00 0.00 0.10 0.00 0.00 66.02 66.04 1h2i s SER 53 CO 0.24 -0.72 0.29 -0.94 0.98 0.00 0.00 173.24 173.09 1h2i s SER 54 N -3.48 -0.00 0.21 7.02 1.04 -1.26 -1.42 113.70 115.82 1h2i s SER 54 Ca 0.34 -0.65 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 1h2i s SER 54 Cb 0.07 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1h2i s SER 54 CO 0.15 -0.83 0.17 0.00 0.98 0.00 0.00 173.24 173.71 1h2i s ARG 55 N -3.89 1.27 -0.30 4.02 1.70 -0.49 -4.95 118.95 116.31 1h2i s ARG 55 Ca 0.09 -1.62 -0.17 0.00 -0.47 0.00 0.00 55.73 53.57 1h2i s ARG 55 Cb 0.03 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.68 1h2i s ARG 55 CO -0.07 -0.43 0.45 -1.64 -1.08 0.00 0.00 175.30 172.54 1h2i s MET 56 N -4.10 3.87 0.77 3.89 -1.94 -1.26 -1.30 119.30 119.22 1h2i s MET 56 Ca 0.38 0.02 -0.11 0.00 -1.71 0.00 0.00 55.69 54.26 1h2i s MET 56 Cb 0.06 -3.71 0.05 0.00 2.01 0.00 0.00 34.83 33.24 1h2i s MET 56 CO 0.13 -0.43 1.09 0.00 -0.01 0.00 0.00 175.02 175.79 1h2i s ALA 57 N 2.23 2.38 0.34 3.03 0.00 0.20 -4.88 121.76 125.06 1h2i s ALA 57 Ca 0.18 -0.12 0.05 0.00 0.00 0.00 0.00 51.96 52.07 1h2i s ALA 57 Cb -0.16 -3.13 0.71 0.00 0.00 0.00 0.00 23.12 20.54 1h2i s ALA 57 CO 0.11 -1.57 1.92 0.78 0.00 0.00 0.00 175.76 177.00 1h2i h GLY 58 N -0.98 1.11 -1.10 0.00 0.00 -1.98 -0.69 103.07 99.44 1h2i h GLY 58 Ca -0.46 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 46.54 1h2i h GLY 58 CO 0.58 0.21 0.00 0.61 0.00 0.00 0.00 176.54 177.94 1h2i n GLY 59 N -1.43 1.01 3.66 4.60 0.00 -1.26 -4.75 105.19 107.02 1h2i n GLY 59 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 0.23 -0.53 3.06 -0.02 0.00 -0.27 -4.98 105.19 102.68 1h2i n GLY 60 Ca 0.00 0.22 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 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 -6.37 1.11 0.35 1.61 -2.07 -1.22 -4.90 119.66 108.17 1h2i s GLN 61 Ca 0.59 -0.41 -0.28 0.00 -1.82 0.00 0.00 55.36 53.43 1h2i s GLN 61 Cb -0.28 -1.04 -0.12 0.00 -1.09 0.00 0.00 33.01 30.49 1h2i s GLN 61 CO 0.73 0.20 1.39 1.17 -1.32 0.00 0.00 175.29 177.46 1h2i n LYS 62 N 3.04 2.37 -3.85 9.60 4.81 -1.26 -0.63 118.16 132.24 1h2i n LYS 62 Ca -0.16 0.83 -0.24 0.00 -0.87 0.00 0.00 58.31 57.87 1h2i n LYS 62 Cb 0.55 -2.49 -0.17 0.00 0.02 0.00 0.00 35.03 32.94 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 -1.00 0.57 0.15 3.15 1.01 -0.42 -4.84 120.40 119.02 1h2i s VAL 63 Ca 0.56 -0.02 -0.09 0.00 0.00 0.00 0.00 61.98 62.43 1h2i s VAL 63 Cb -0.53 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.11 1h2i s VAL 63 CO 0.62 0.29 0.46 0.00 0.00 0.00 0.00 175.10 176.47 1h2i s TYR 65 N -1.59 -0.24 -0.08 0.00 -0.85 -0.50 -5.00 117.35 109.08 1h2i s TYR 65 Ca 0.40 -0.01 0.00 0.00 -0.52 0.00 0.00 57.07 56.94 1h2i s TYR 65 Cb -0.13 0.60 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1h2i s TYR 65 CO 0.21 -0.76 -0.08 0.42 -1.52 0.00 0.00 175.55 173.81 1h2i s ILE 66 N -3.31 3.61 0.18 -3.49 1.01 -1.26 -1.29 121.20 116.64 1h2i s ILE 66 Ca 0.09 -0.50 -0.30 0.00 0.00 0.00 0.00 60.65 59.94 1h2i s ILE 66 Cb -0.02 -2.49 -0.08 0.00 0.01 0.00 0.00 42.46 39.89 1h2i s ILE 66 CO -0.02 0.58 1.17 -1.61 0.00 0.00 0.00 174.94 175.05 1h2i s GLU 67 N -0.52 4.52 0.28 2.79 2.02 -1.26 -4.91 118.70 121.62 1h2i s GLU 67 Ca 0.08 1.82 -0.06 0.00 0.02 0.00 0.00 54.97 56.82 1h2i s GLU 67 Cb -0.12 -3.26 0.51 0.00 0.10 0.00 0.00 34.13 31.36 1h2i s GLU 67 CO 0.02 -0.05 1.57 0.78 0.02 0.00 0.00 175.26 177.60 1h2i h GLY 68 N 5.29 0.81 1.94 -1.39 0.00 -1.98 0.37 103.07 108.10 1h2i h GLY 68 Ca -0.44 0.29 0.01 0.00 0.00 0.00 0.00 47.33 47.18 1h2i h GLY 68 CO 0.74 -0.40 0.02 1.12 0.00 0.00 0.00 176.54 178.02 1h2i h HIS 69 N 0.00 0.00 -0.18 5.60 2.07 -2.00 0.45 115.15 121.10 1h2i h HIS 69 Ca 0.49 0.00 -0.20 0.00 -2.85 0.00 0.00 60.37 57.81 1h2i h HIS 69 Cb 0.81 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.80 1h2i h HIS 69 CO -0.70 0.00 -0.69 0.00 -3.07 0.00 0.00 177.93 173.46 1h2i h ARG 70 N 0.00 0.73 -0.65 5.12 2.47 -0.65 -2.60 114.38 118.80 1h2i h ARG 70 Ca 0.01 -0.54 -0.07 0.00 -1.26 0.00 0.00 59.98 58.11 1h2i h ARG 70 Cb 0.05 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.45 1h2i h ARG 70 CO -0.00 1.16 0.11 0.28 0.56 0.00 0.00 179.97 182.08 1h2i h VAL 71 N 0.52 1.26 -0.45 2.04 2.07 -0.55 0.42 116.25 121.56 1h2i h VAL 71 Ca -0.03 -1.01 -0.02 0.00 0.82 0.00 0.00 66.70 66.47 1h2i h VAL 71 Cb 1.30 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.69 1h2i h VAL 71 CO 0.14 0.38 0.21 0.40 0.02 0.00 0.00 177.57 178.71 1h2i h ILE 72 N 0.99 1.19 -0.23 4.57 2.04 -0.99 -0.72 117.51 124.36 1h2i h ILE 72 Ca 0.20 -0.56 -0.10 0.00 1.00 0.00 0.00 64.86 65.39 1h2i h ILE 72 Cb 0.42 0.72 -0.01 0.00 -0.74 0.00 0.00 36.82 37.20 1h2i h ILE 72 CO 0.01 0.21 -0.30 0.78 0.00 0.00 0.00 178.15 178.85 1h2i h ASN 73 N 0.59 0.48 -0.26 1.72 2.35 -1.12 -0.40 115.58 118.95 1h2i h ASN 73 Ca 0.15 -0.18 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1h2i h ASN 73 Cb 0.14 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1h2i h ASN 73 CO -0.02 0.76 0.16 -0.07 -1.65 0.00 0.00 177.43 176.62 1h2i h LEU 74 N 0.41 0.31 -0.22 1.61 3.38 -0.60 -0.78 115.31 119.41 1h2i h LEU 74 Ca 0.05 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1h2i h LEU 74 Cb 0.74 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 1h2i h LEU 74 CO 0.06 0.26 0.13 0.00 0.09 0.00 0.00 178.44 178.98 1h2i h ALA 75 N 1.06 0.28 -0.87 1.53 0.00 -0.79 0.82 119.26 121.29 1h2i h ALA 75 Ca 0.09 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 1h2i h ALA 75 Cb 0.01 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.67 1h2i h ALA 75 CO -0.02 -0.22 0.49 -0.91 0.00 0.00 0.00 179.25 178.60 1h2i h ASN 76 N 0.27 1.07 0.55 0.00 2.35 -0.90 -0.59 115.58 118.34 1h2i h ASN 76 Ca 0.08 -0.09 -0.18 0.00 -0.55 0.00 0.00 56.30 55.56 1h2i h ASN 76 Cb 0.01 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 1h2i h ASN 76 CO -0.02 0.85 -0.78 -0.33 -1.65 0.00 0.00 177.43 175.51 1h2i h GLU 77 N 1.21 0.17 -0.09 0.81 4.39 -0.90 0.65 114.58 120.82 1h2i h GLU 77 Ca 0.31 -0.16 -0.11 0.00 0.34 0.00 0.00 59.36 59.74 1h2i h GLU 77 Cb 0.00 0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.70 1h2i h GLU 77 CO -0.05 0.86 -0.36 1.98 -1.16 0.00 0.00 179.01 180.28 1h2i h MET 78 N 0.11 0.40 0.00 2.33 4.05 -0.49 -3.38 114.93 117.95 1h2i h MET 78 Ca -0.03 -0.31 0.00 0.00 -0.28 0.00 0.00 59.70 59.08 1h2i h MET 78 Cb 1.36 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.22 1h2i h MET 78 CO 0.12 0.95 -0.96 1.19 0.23 0.00 0.00 176.91 178.43 1h2i n PHE 79 N -4.37 0.00 0.00 1.39 3.72 -0.26 -4.98 117.46 112.96 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 0.52 -0.11 0.00 0.00 -0.94 0.00 0.00 39.48 38.95 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 1.51 1.49 0.35 1.37 0.00 0.23 -3.44 105.19 106.69 1h2i n GLY 80 Ca 0.00 -1.66 0.18 0.00 0.00 0.00 0.00 46.02 44.54 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 -0.32 1.61 -0.00 -1.89 0.91 116.97 117.28 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 -3.76 4.07 -0.00 0.10 2.04 -1.26 -4.52 115.26 111.93 1h2i n ASN 82 Ca 0.03 -2.92 0.09 0.00 -0.44 0.00 0.00 54.58 51.34 1h2i n ASN 82 Cb 0.39 -0.54 -0.11 0.00 -2.53 0.00 0.00 39.78 36.99 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 -0.25 -0.72 3.15 4.83 0.00 0.31 -4.70 105.19 107.81 1h2i n GLY 83 Ca 0.22 -0.50 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.79 0.82 0.19 1.61 1.48 -1.25 -0.91 118.94 118.09 1h2i s TRP 84 Ca 0.04 -1.09 -0.18 0.00 -1.06 0.00 0.00 56.10 53.81 1h2i s TRP 84 Cb 0.13 -0.50 0.03 0.00 -1.16 0.00 0.00 33.47 31.98 1h2i s TRP 84 CO 0.74 -0.36 0.53 0.00 -4.06 0.00 0.00 176.95 173.81 1h2i s ALA 85 N -3.87 -1.00 0.01 2.67 0.00 0.14 -4.95 121.76 114.77 1h2i s ALA 85 Ca 0.17 -0.17 -0.17 0.00 0.00 0.00 0.00 51.96 51.79 1h2i s ALA 85 Cb 0.07 0.85 0.03 0.00 0.00 0.00 0.00 23.12 24.07 1h2i s ALA 85 CO -0.03 -0.80 0.37 -3.38 0.00 0.00 0.00 175.76 171.92 1h2i s HIS 86 N -3.86 -0.23 0.08 0.00 -3.43 -1.26 0.27 115.29 106.86 1h2i s HIS 86 Ca 0.08 0.26 -0.00 0.00 -0.80 0.00 0.00 55.06 54.60 1h2i s HIS 86 Cb -0.01 0.16 -0.04 0.00 -1.43 0.00 0.00 32.58 31.26 1h2i s HIS 86 CO -0.04 -0.49 -0.02 -1.54 -2.00 0.00 0.00 174.74 170.65 1h2i s SER 87 N -1.70 0.59 -0.50 7.38 1.04 -0.34 -4.98 113.70 115.20 1h2i s SER 87 Ca -0.09 -1.04 -0.16 0.00 0.48 0.00 0.00 55.95 55.14 1h2i s SER 87 Cb -0.02 0.20 0.09 0.00 0.10 0.00 0.00 66.02 66.38 1h2i s SER 87 CO 0.01 -0.60 0.45 -0.63 0.98 0.00 0.00 173.24 173.45 1h2i s ILE 88 N -3.88 5.19 0.40 -1.02 1.01 -1.26 -1.32 121.20 120.32 1h2i s ILE 88 Ca 0.11 -1.15 0.15 0.00 0.00 0.00 0.00 60.65 59.76 1h2i s ILE 88 Cb 0.07 -4.21 0.15 0.00 0.01 0.00 0.00 42.46 38.48 1h2i s ILE 88 CO -0.07 -0.70 1.92 0.71 0.00 0.00 0.00 174.94 176.80 1h2i h THR 89 N 5.81 1.13 -1.28 2.92 1.35 -1.20 -3.46 112.91 118.17 1h2i h THR 89 Ca -0.29 -0.94 0.17 0.00 -0.55 0.00 0.00 66.41 64.80 1h2i h THR 89 Cb 1.11 1.52 -0.26 0.00 -1.73 0.00 0.00 68.15 68.78 1h2i h THR 89 CO 0.94 0.26 0.76 -1.58 -0.25 0.00 0.00 175.52 175.66 1h2i s GLN 90 N -4.36 0.29 -0.05 4.72 0.74 -1.20 -4.99 119.66 114.82 1h2i s GLN 90 Ca -0.03 0.09 0.01 0.00 0.05 0.00 0.00 55.36 55.48 1h2i s GLN 90 Cb 0.15 0.14 0.02 0.00 1.10 0.00 0.00 33.01 34.42 1h2i s GLN 90 CO 0.70 -0.09 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -0.94 0.80 -0.07 1.67 0.74 -1.26 -0.12 119.66 120.48 1h2i s GLN 91 Ca 0.04 -0.06 0.02 0.00 0.05 0.00 0.00 55.36 55.41 1h2i s GLN 91 Cb -0.01 -0.88 0.01 0.00 1.10 0.00 0.00 33.01 33.23 1h2i s GLN 91 CO -0.04 -0.13 -0.14 1.21 -0.55 0.00 0.00 175.29 175.64 1h2i s ASN 92 N 1.15 2.00 -0.38 6.67 3.84 0.04 -5.00 114.94 123.26 1h2i s ASN 92 Ca -0.07 -0.34 -0.26 0.00 0.21 0.00 0.00 52.86 52.40 1h2i s ASN 92 Cb -0.14 -0.92 0.02 0.00 -0.55 0.00 0.00 41.25 39.66 1h2i s ASN 92 CO -0.01 0.04 0.92 -0.69 -2.79 0.00 0.00 177.10 174.57 1h2i s VAL 93 N 0.69 4.58 0.19 -5.21 1.01 -1.26 -1.17 120.40 119.23 1h2i s VAL 93 Ca -0.14 1.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1h2i s VAL 93 Cb -0.16 -4.34 -0.08 0.00 0.00 0.00 0.00 36.38 31.80 1h2i s VAL 93 CO 0.03 -0.57 1.47 0.44 0.00 0.00 0.00 175.10 176.48 1h2i h ASP 94 N 8.55 0.49 -3.98 3.32 3.45 -0.74 -3.48 116.42 124.03 1h2i h ASP 94 Ca -0.23 -0.30 0.21 0.00 0.43 0.00 0.00 57.03 57.14 1h2i h ASP 94 Cb 1.08 -0.14 -0.21 0.00 -0.56 0.00 0.00 39.33 39.49 1h2i h ASP 94 CO 0.98 1.01 0.78 0.72 -1.57 0.00 0.00 179.24 181.17 1h2i s PHE 95 N -3.75 -0.16 -0.31 4.55 -0.12 -1.18 -4.98 117.98 112.03 1h2i s PHE 95 Ca -0.06 0.18 -0.03 0.00 -0.05 0.00 0.00 56.93 56.97 1h2i s PHE 95 Cb 0.11 0.50 0.11 0.00 -0.63 0.00 0.00 43.02 43.10 1h2i s PHE 95 CO 0.83 -0.21 0.13 0.08 -0.05 0.00 0.00 175.22 176.01 1h2i s VAL 96 N -1.90 0.23 -0.09 -2.49 1.01 -1.26 -2.61 120.40 113.29 1h2i s VAL 96 Ca 0.07 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.96 1h2i s VAL 96 Cb -0.01 -1.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1h2i s VAL 96 CO -0.05 -0.75 -0.01 -1.81 0.00 0.00 0.00 175.10 172.49 1h2i s ASP 97 N 1.82 5.13 -0.33 3.32 1.01 0.03 -4.95 116.67 122.70 1h2i s ASP 97 Ca 0.10 0.10 -0.03 0.00 0.71 0.00 0.00 52.55 53.43 1h2i s ASP 97 Cb -0.17 -1.46 0.06 0.00 1.01 0.00 0.00 42.92 42.36 1h2i s ASP 97 CO -0.29 0.36 0.07 -0.22 0.21 0.00 0.00 175.17 175.30 1h2i s LEU 98 N -0.77 4.30 0.00 1.23 2.96 -1.26 0.44 118.68 125.58 1h2i s LEU 98 Ca 0.12 -1.38 0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1h2i s LEU 98 Cb -0.11 -1.79 0.19 0.00 0.50 0.00 0.00 46.19 44.98 1h2i s LEU 98 CO 0.02 -0.34 1.05 0.59 -1.32 0.00 0.00 176.35 176.36 1h2i n ASN 99 N 4.68 2.41 0.00 3.68 5.03 -0.88 -4.97 115.26 125.21 1h2i n ASN 99 Ca -0.11 -1.75 0.00 0.00 0.87 0.00 0.00 54.58 53.59 1h2i n ASN 99 Cb 0.43 -0.12 0.00 0.00 -1.02 0.00 0.00 39.78 39.07 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 0.47 0.00 -0.01 6.41 3.02 -1.26 -4.91 115.26 118.99 1h2i n ASN 100 Ca 0.08 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.64 1h2i n ASN 100 Cb 0.34 0.00 0.01 0.00 -0.61 0.00 0.00 39.78 39.52 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 2.94 3.57 7.41 0.00 -1.26 -5.03 105.19 112.82 1h2i n GLY 101 Ca 0.00 -0.11 -0.28 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.14 2.06 -0.06 1.61 1.02 -1.26 -4.48 119.74 117.49 1h2i s LYS 102 Ca 0.03 -1.19 -0.03 0.00 0.02 0.00 0.00 55.97 54.81 1h2i s LYS 102 Cb 0.03 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.10 1h2i s LYS 102 CO 0.00 0.46 0.07 -0.06 -0.92 0.00 0.00 175.35 174.91 1h2i s PHE 103 N -1.51 3.34 -0.21 3.18 0.40 0.50 -2.08 117.98 121.60 1h2i s PHE 103 Ca 0.23 0.29 0.01 0.00 -0.60 0.00 0.00 56.93 56.87 1h2i s PHE 103 Cb -0.10 -1.81 0.04 0.00 0.51 0.00 0.00 43.02 41.66 1h2i s PHE 103 CO 0.14 0.58 -0.12 0.71 0.70 0.00 0.00 175.22 177.23 1h2i s TYR 104 N -1.05 2.65 -0.05 0.36 1.51 0.17 -1.38 117.35 119.55 1h2i s TYR 104 Ca 0.18 -1.74 0.03 0.00 -1.01 0.00 0.00 57.07 54.53 1h2i s TYR 104 Cb -0.12 -1.75 0.01 0.00 -0.11 0.00 0.00 41.96 39.99 1h2i s TYR 104 CO 0.08 -0.78 -0.14 0.08 -1.11 0.00 0.00 175.55 173.68 1h2i s VAL 105 N 1.32 1.20 -0.11 0.71 1.01 0.11 -0.79 120.40 123.85 1h2i s VAL 105 Ca -0.01 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.43 1h2i s VAL 105 Cb -0.16 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.16 1h2i s VAL 105 CO -0.09 0.36 -0.15 -0.83 0.00 0.00 0.00 175.10 174.40 1h2i s GLY 106 N 0.40 1.03 -0.01 4.51 0.00 -1.07 -1.79 107.32 110.39 1h2i s GLY 106 Ca -0.10 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 43.92 1h2i s GLY 106 CO 0.03 0.29 -0.10 0.14 0.00 0.00 0.00 173.10 173.47 1h2i s VAL 107 N 1.08 0.78 0.14 1.40 1.01 -0.05 0.06 120.40 124.81 1h2i s VAL 107 Ca -0.05 -0.41 0.10 0.00 0.00 0.00 0.00 61.98 61.62 1h2i s VAL 107 Cb -0.15 -0.66 -0.04 0.00 0.00 0.00 0.00 36.38 35.53 1h2i s VAL 107 CO -0.03 0.23 -0.23 0.00 0.00 0.00 0.00 175.10 175.07 1h2i s ALA 109 N -1.20 0.43 -0.26 0.00 0.00 -0.52 -0.78 121.76 119.43 1h2i s ALA 109 Ca 0.17 -0.34 -0.04 0.00 0.00 0.00 0.00 51.96 51.74 1h2i s ALA 109 Cb -0.10 -0.06 0.01 0.00 0.00 0.00 0.00 23.12 22.97 1h2i s ALA 109 CO 0.08 0.07 -0.00 -0.06 0.00 0.00 0.00 175.76 175.85 1h2i s PHE 110 N -0.42 3.07 -0.13 0.00 0.40 0.83 -0.75 117.98 120.98 1h2i s PHE 110 Ca -0.01 -1.14 -0.01 0.00 -0.60 0.00 0.00 56.93 55.18 1h2i s PHE 110 Cb -0.04 -2.15 -0.02 0.00 0.51 0.00 0.00 43.02 41.32 1h2i s PHE 110 CO -0.00 -0.61 -0.10 0.08 0.70 0.00 0.00 175.22 175.28 1h2i s VAL 111 N 1.44 3.31 -0.22 -0.44 1.01 -0.75 -0.58 120.40 124.18 1h2i s VAL 111 Ca 0.03 -0.58 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 1h2i s VAL 111 Cb -0.16 -2.40 -0.01 0.00 0.00 0.00 0.00 36.38 33.82 1h2i s VAL 111 CO -0.01 0.53 -0.05 -0.60 0.00 0.00 0.00 175.10 174.96 1h2i s ARG 112 N 0.18 3.36 -0.01 2.72 3.52 -0.44 -1.87 118.95 126.41 1h2i s ARG 112 Ca -0.06 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1h2i s ARG 112 Cb -0.15 -2.98 -0.03 0.00 -1.56 0.00 0.00 34.95 30.23 1h2i s ARG 112 CO 0.04 -0.18 -0.02 0.54 -0.81 0.00 0.00 175.30 174.87 1h2i s VAL 113 N 1.43 4.01 0.06 7.11 0.11 -0.01 -1.20 120.40 131.90 1h2i s VAL 113 Ca 0.05 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.52 1h2i s VAL 113 Cb -0.14 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.92 1h2i s VAL 113 CO -0.03 0.42 -0.09 -1.58 -3.33 0.00 0.00 175.10 170.48 1h2i s GLN 114 N -1.41 0.64 0.33 1.54 0.74 0.14 -1.61 119.66 120.03 1h2i s GLN 114 Ca 0.18 -0.90 0.07 0.00 0.05 0.00 0.00 55.36 54.75 1h2i s GLN 114 Cb -0.11 -0.39 -0.01 0.00 1.10 0.00 0.00 33.01 33.59 1h2i s GLN 114 CO 0.08 0.07 0.46 -0.51 -0.55 0.00 0.00 175.29 174.84 1h2i s LEU 115 N -1.87 3.98 0.16 3.68 1.02 -0.17 0.25 118.68 125.73 1h2i s LEU 115 Ca -0.05 -0.18 0.11 0.00 0.02 0.00 0.00 54.13 54.03 1h2i s LEU 115 Cb -0.07 -2.75 0.59 0.00 0.02 0.00 0.00 46.19 43.97 1h2i s LEU 115 CO 0.00 -0.41 1.33 2.29 0.02 0.00 0.00 176.35 179.58 1h2i n LYS 116 N -1.62 0.07 0.01 1.70 2.85 -0.09 -0.56 118.16 120.52 1h2i n LYS 116 Ca -0.01 0.56 -0.11 0.00 -1.05 0.00 0.00 58.31 57.71 1h2i n LYS 116 Cb 0.58 -1.73 0.02 0.00 -0.65 0.00 0.00 35.03 33.25 1h2i n LYS 116 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 1h2i h ASP 117 N 0.00 0.65 0.00 -5.58 -0.00 -1.85 -0.30 116.42 109.34 1h2i h ASP 117 Ca 0.00 -0.38 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 1h2i h ASP 117 Cb 0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 39.33 39.15 1h2i h ASP 117 CO 0.00 1.12 0.00 0.61 -0.00 0.00 0.00 179.24 180.97 1h2i n GLY 118 N 0.42 1.49 3.77 -0.78 0.00 0.27 -4.56 105.19 105.80 1h2i n GLY 118 Ca -0.04 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.79 5.55 0.17 1.61 1.04 -1.26 -4.77 113.70 114.25 1h2i s SER 119 Ca 0.00 2.21 -0.17 0.00 0.48 0.00 0.00 55.95 58.48 1h2i s SER 119 Cb 0.00 -2.58 0.03 0.00 0.10 0.00 0.00 66.02 63.57 1h2i s SER 119 CO 0.00 -1.33 0.48 -0.72 0.98 0.00 0.00 173.24 172.65 1h2i s TYR 120 N -1.77 -0.14 -0.07 5.02 -0.85 -1.26 -1.00 117.35 117.28 1h2i s TYR 120 Ca 0.73 -0.19 -0.08 0.00 -0.52 0.00 0.00 57.07 57.01 1h2i s TYR 120 Cb -0.25 0.34 0.02 0.00 0.38 0.00 0.00 41.96 42.45 1h2i s TYR 120 CO 0.29 -0.84 0.22 -1.01 -1.52 0.00 0.00 175.55 172.69 1h2i s HIS 121 N -3.85 -0.22 -0.02 -3.49 3.76 -0.64 -5.01 115.29 105.83 1h2i s HIS 121 Ca 0.07 0.53 0.03 0.00 -0.15 0.00 0.00 55.06 55.55 1h2i s HIS 121 Cb 0.00 0.07 -0.01 0.00 1.11 0.00 0.00 32.58 33.76 1h2i s HIS 121 CO -0.06 -0.14 -0.11 -2.00 -0.85 0.00 0.00 174.74 171.58 1h2i s GLU 122 N -0.04 1.01 0.30 1.40 2.12 -1.26 -0.83 118.70 121.40 1h2i s GLU 122 Ca -0.01 -0.40 -0.02 0.00 0.36 0.00 0.00 54.97 54.89 1h2i s GLU 122 Cb -0.02 -0.96 -0.01 0.00 0.26 0.00 0.00 34.13 33.40 1h2i s GLU 122 CO 0.01 0.21 0.37 0.34 -0.54 0.00 0.00 175.26 175.65 1h2i s ASP 123 N -0.12 0.74 0.02 -1.70 -1.08 -0.78 -4.93 116.67 108.81 1h2i s ASP 123 Ca 0.02 -1.42 -0.00 0.00 -0.52 0.00 0.00 52.55 50.62 1h2i s ASP 123 Cb -0.06 0.57 -0.04 0.00 -1.46 0.00 0.00 42.92 41.93 1h2i s ASP 123 CO -0.00 -1.14 0.12 -0.69 0.52 0.00 0.00 175.17 173.98 1h2i s VAL 124 N -3.51 4.93 0.18 1.11 1.01 -1.26 -1.80 120.40 121.06 1h2i s VAL 124 Ca 0.33 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.97 1h2i s VAL 124 Cb 0.02 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 33.04 1h2i s VAL 124 CO 0.18 0.27 -0.18 -0.83 0.00 0.00 0.00 175.10 174.54 1h2i s GLY 125 N -2.01 1.45 0.07 4.51 0.00 0.07 -4.48 107.32 106.94 1h2i s GLY 125 Ca 0.27 -1.55 0.05 0.00 0.00 0.00 0.00 44.72 43.49 1h2i s GLY 125 CO 0.18 -1.61 -0.15 -0.47 0.00 0.00 0.00 173.10 171.06 1h2i s TYR 126 N -2.17 1.26 -0.02 1.90 5.04 -1.26 -1.44 117.35 120.66 1h2i s TYR 126 Ca 0.18 -0.43 0.03 0.00 -2.44 0.00 0.00 57.07 54.41 1h2i s TYR 126 Cb -0.05 -0.71 -0.00 0.00 0.35 0.00 0.00 41.96 41.54 1h2i s TYR 126 CO 0.07 0.06 -0.12 0.20 -1.34 0.00 0.00 175.55 174.43 1h2i s GLY 127 N -1.62 0.65 0.01 8.97 0.00 0.32 -3.74 107.32 111.91 1h2i s GLY 127 Ca -0.01 -0.49 0.03 0.00 0.00 0.00 0.00 44.72 44.26 1h2i s GLY 127 CO 0.02 -0.27 -0.10 0.14 0.00 0.00 0.00 173.10 172.89 1h2i s VAL 128 N -0.00 0.82 -0.16 1.40 1.01 -1.26 -0.87 120.40 121.33 1h2i s VAL 128 Ca -0.01 -0.60 -0.04 0.00 0.00 0.00 0.00 61.98 61.33 1h2i s VAL 128 Cb -0.08 -0.72 0.07 0.00 0.00 0.00 0.00 36.38 35.65 1h2i s VAL 128 CO 0.01 0.11 0.17 -0.55 0.00 0.00 0.00 175.10 174.83 1h2i s SER 129 N -0.55 1.47 -0.10 3.32 0.15 -0.74 -4.55 113.70 112.70 1h2i s SER 129 Ca 0.02 -0.17 0.01 0.00 0.70 0.00 0.00 55.95 56.51 1h2i s SER 129 Cb -0.05 0.17 0.02 0.00 -1.71 0.00 0.00 66.02 64.45 1h2i s SER 129 CO 0.00 -0.31 -0.13 -1.61 1.20 0.00 0.00 173.24 172.39 1h2i s GLU 130 N 2.26 2.01 0.00 5.44 2.02 -1.26 -0.71 118.70 128.46 1h2i s GLU 130 Ca 0.04 -0.48 0.00 0.00 0.02 0.00 0.00 54.97 54.55 1h2i s GLU 130 Cb -0.15 -1.75 0.00 0.00 0.10 0.00 0.00 34.13 32.33 1h2i s GLU 130 CO -0.09 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.51 1h2i n GLY 131 N 4.27 2.07 3.80 -1.39 0.00 -0.48 -5.01 105.19 108.44 1h2i n GLY 131 Ca -0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 3.22 0.00 0.99 1.43 -1.26 -4.63 118.68 118.44 1h2i s LEU 132 Ca 0.00 1.77 0.22 0.00 -1.03 0.00 0.00 54.13 55.09 1h2i s LEU 132 Cb 0.00 -4.52 -0.10 0.00 0.03 0.00 0.00 46.19 41.60 1h2i s LEU 132 CO 0.00 -1.56 0.94 0.29 0.23 0.00 0.00 176.35 176.25 1h2i n LYS 133 N -2.89 0.11 -3.25 1.70 5.02 -1.26 -0.37 118.16 117.21 1h2i n LYS 133 Ca 0.09 -0.02 -0.40 0.00 -2.02 0.00 0.00 58.31 55.96 1h2i n LYS 133 Cb 0.53 -1.52 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -3.30 6.46 0.04 4.39 0.15 -1.26 -4.82 113.70 115.36 1h2i s SER 134 Ca 0.06 0.56 -0.25 0.00 0.70 0.00 0.00 55.95 57.02 1h2i s SER 134 Cb 0.16 -2.28 -0.17 0.00 -1.71 0.00 0.00 66.02 62.02 1h2i s SER 134 CO 0.84 -0.24 1.48 0.50 1.20 0.00 0.00 173.24 177.01 1h2i h LYS 135 N 7.84 -0.14 -0.16 5.44 3.64 -1.98 -1.49 116.57 129.71 1h2i h LYS 135 Ca -0.31 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.13 1h2i h LYS 135 Cb 1.15 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1h2i h LYS 135 CO 0.72 0.10 -0.21 0.00 -2.27 0.00 0.00 179.45 177.79 1h2i h ALA 136 N 0.48 -0.14 -0.22 5.00 0.00 -1.99 0.79 119.26 123.19 1h2i h ALA 136 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 136 Cb 0.31 0.42 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1h2i h ALA 136 CO 0.02 -0.66 0.04 -0.07 0.00 0.00 0.00 179.25 178.59 1h2i h LEU 137 N -0.25 0.27 -0.04 0.00 -0.00 -1.96 -0.29 115.31 113.04 1h2i h LEU 137 Ca 0.11 -0.03 -0.01 0.00 -0.00 0.00 0.00 57.88 57.95 1h2i h LEU 137 Cb 0.41 -0.07 -0.00 0.00 -0.00 0.00 0.00 40.66 41.00 1h2i h LEU 137 CO -0.30 0.30 -0.03 0.28 -0.00 0.00 0.00 178.44 178.68 1h2i h SER 138 N 0.30 0.10 -0.34 -0.43 0.02 -0.13 -2.23 113.55 110.84 1h2i h SER 138 Ca 0.07 -0.47 0.00 0.00 -0.84 0.00 0.00 61.79 60.55 1h2i h SER 138 Cb 0.15 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.64 1h2i h SER 138 CO -0.00 0.55 0.22 -0.07 -1.14 0.00 0.00 176.83 176.39 1h2i h LEU 139 N -0.36 0.39 -0.38 5.07 -0.00 -0.59 -1.33 115.31 118.11 1h2i h LEU 139 Ca 0.01 -0.02 0.07 0.00 -0.00 0.00 0.00 57.88 57.93 1h2i h LEU 139 Cb 0.52 -0.10 -0.06 0.00 -0.00 0.00 0.00 40.66 41.02 1h2i h LEU 139 CO 0.01 0.29 0.03 -0.08 -0.00 0.00 0.00 178.44 178.69 1h2i h GLU 140 N 0.45 0.13 -0.12 1.13 4.81 -1.07 0.19 114.58 120.11 1h2i h GLU 140 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.34 1h2i h GLU 140 Cb -0.04 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.30 1h2i h GLU 140 CO -0.03 0.09 0.05 -0.22 -0.73 0.00 0.00 179.01 178.17 1h2i h LYS 141 N 0.14 0.18 -0.52 1.92 3.64 -1.12 -2.03 116.57 118.78 1h2i h LYS 141 Ca 0.19 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1h2i h LYS 141 Cb 0.25 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1h2i h LYS 141 CO -0.29 0.30 0.18 0.00 -2.27 0.00 0.00 179.45 177.37 1h2i h ALA 142 N 0.88 0.68 -0.39 5.00 0.00 -0.99 -1.55 119.26 122.88 1h2i h ALA 142 Ca 0.04 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 1h2i h ALA 142 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1h2i h ALA 142 CO -0.00 0.32 0.05 0.00 0.00 0.00 0.00 179.25 179.62 1h2i h ARG 143 N 0.70 0.66 -0.62 0.00 3.08 -0.93 -1.87 114.38 115.40 1h2i h ARG 143 Ca 0.17 -0.18 -0.09 0.00 0.07 0.00 0.00 59.98 59.94 1h2i h ARG 143 Cb 0.25 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.20 1h2i h ARG 143 CO -0.01 0.71 0.02 0.87 -1.07 0.00 0.00 179.97 180.49 1h2i h LYS 144 N 0.50 1.08 -0.14 0.04 1.57 -1.31 -2.93 116.57 115.37 1h2i h LYS 144 Ca 0.12 -0.33 -0.15 0.00 -1.87 0.00 0.00 60.65 58.42 1h2i h LYS 144 Cb 0.38 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1h2i h LYS 144 CO 0.01 1.04 -0.54 0.93 -0.57 0.00 0.00 179.45 180.32 1h2i h GLU 145 N 0.99 0.42 -0.61 3.15 5.08 -1.22 -2.51 114.58 119.88 1h2i h GLU 145 Ca 0.18 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.34 1h2i h GLU 145 Cb 0.54 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 1h2i h GLU 145 CO 0.03 0.85 0.32 0.00 -1.00 0.00 0.00 179.01 179.21 1h2i h ALA 146 N 1.10 0.81 0.08 3.43 0.00 -1.22 0.40 119.26 123.86 1h2i h ALA 146 Ca 0.01 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 146 Cb 1.05 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1h2i h ALA 146 CO 0.09 -0.02 -0.04 0.28 0.00 0.00 0.00 179.25 179.56 1h2i h VAL 147 N 0.60 1.08 -0.85 0.00 2.07 -1.35 0.66 116.25 118.45 1h2i h VAL 147 Ca 0.28 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.22 1h2i h VAL 147 Cb 0.19 1.43 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 1h2i h VAL 147 CO -0.19 0.14 0.41 0.74 0.02 0.00 0.00 177.57 178.69 1h2i h THR 148 N -0.35 1.26 -0.46 2.57 2.02 -1.12 0.13 112.91 116.96 1h2i h THR 148 Ca -0.01 -0.71 -0.03 0.00 0.77 0.00 0.00 66.41 66.43 1h2i h THR 148 Cb 0.30 0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1h2i h THR 148 CO 0.02 0.31 0.17 -0.78 0.37 0.00 0.00 175.52 175.61 1h2i h ASP 149 N 1.20 0.65 -0.51 4.18 -0.00 -0.11 -0.00 116.42 121.83 1h2i h ASP 149 Ca 0.29 -0.18 -0.03 0.00 -0.00 0.00 0.00 57.03 57.11 1h2i h ASP 149 Cb 0.11 -0.17 -0.02 0.00 -0.00 0.00 0.00 39.33 39.24 1h2i h ASP 149 CO -0.04 0.65 0.20 1.23 -0.00 0.00 0.00 179.24 181.29 1h2i h GLY 150 N 0.61 0.82 0.78 -0.78 0.00 -0.21 -0.89 103.07 103.39 1h2i h GLY 150 Ca 0.15 -0.45 0.03 0.00 0.00 0.00 0.00 47.33 47.07 1h2i h GLY 150 CO -0.01 0.42 0.17 -2.00 0.00 0.00 0.00 176.54 175.12 1h2i h LEU 151 N 0.68 0.23 -0.47 3.11 5.85 -0.43 0.16 115.31 124.44 1h2i h LEU 151 Ca 0.17 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.91 1h2i h LEU 151 Cb 0.20 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 1h2i h LEU 151 CO -0.01 0.17 0.27 0.11 -0.34 0.00 0.00 178.44 178.64 1h2i h LYS 152 N 0.35 0.65 -0.52 1.25 1.57 -0.73 -1.46 116.57 117.68 1h2i h LYS 152 Ca 0.16 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.79 1h2i h LYS 152 Cb 0.09 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1h2i h LYS 152 CO -0.13 0.50 0.01 0.00 -0.57 0.00 0.00 179.45 179.26 1h2i h ARG 153 N 0.62 0.86 -0.42 3.15 3.08 -0.68 -2.01 114.38 118.98 1h2i h ARG 153 Ca 0.17 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 1h2i h ARG 153 Cb 0.03 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 29.96 1h2i h ARG 153 CO -0.03 0.85 0.16 0.00 -1.07 0.00 0.00 179.97 179.89 1h2i h ALA 154 N 1.21 0.55 -0.36 0.04 0.00 -0.70 -2.75 119.26 117.24 1h2i h ALA 154 Ca 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1h2i h ALA 154 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1h2i h ALA 154 CO 0.02 0.16 0.14 -0.07 0.00 0.00 0.00 179.25 179.50 1h2i h LEU 155 N 0.54 0.46 -1.25 0.00 -0.00 -1.01 -2.64 115.31 111.41 1h2i h LEU 155 Ca 0.14 -0.05 0.23 0.00 -0.00 0.00 0.00 57.88 58.20 1h2i h LEU 155 Cb 0.20 -0.12 -0.09 0.00 -0.00 0.00 0.00 40.66 40.65 1h2i h LEU 155 CO -0.01 0.43 0.63 0.03 -0.00 0.00 0.00 178.44 179.52 1h2i h ARG 156 N 0.51 0.51 -0.07 1.13 3.08 -1.05 -0.85 114.38 117.64 1h2i h ARG 156 Ca 0.13 -0.03 0.02 0.00 0.07 0.00 0.00 59.98 60.17 1h2i h ARG 156 Cb 0.12 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.05 1h2i h ARG 156 CO -0.01 0.34 0.34 0.77 -1.07 0.00 0.00 179.97 180.33 1h2i h SER 157 N 0.53 0.00 1.53 7.04 0.02 -1.56 -1.28 113.55 119.83 1h2i h SER 157 Ca 0.57 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.46 1h2i h SER 157 Cb 1.22 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.76 1h2i h SER 157 CO -0.31 0.00 -0.28 -0.26 -1.14 0.00 0.00 176.83 174.84 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.35 -3.50 116.94 114.54 1h2i h PHE 158 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1h2i h PHE 158 Cb 0.71 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.27 1h2i h PHE 158 CO 0.00 0.28 0.00 0.41 -1.61 0.00 0.00 178.31 177.39 1h2i n GLY 159 N 0.95 0.18 0.20 -1.45 0.00 -0.48 -4.95 105.19 99.63 1h2i n GLY 159 Ca 0.02 -1.55 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 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 0.52 0.00 1.61 2.35 -1.44 -1.68 115.58 116.94 1h2i h ASN 160 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1h2i h ASN 160 Cb 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 38.32 38.24 1h2i h ASN 160 CO 0.00 0.38 0.11 0.00 -1.65 0.00 0.00 177.43 176.27 1h2i h ALA 161 N 1.17 1.09 -0.34 -0.83 0.00 0.51 0.12 119.26 121.00 1h2i h ALA 161 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1h2i h ALA 161 Cb -0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1h2i h ALA 161 CO -0.04 -0.09 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1h2i n LEU 162 N -2.57 3.54 0.00 0.00 7.99 -0.79 -4.93 117.00 120.25 1h2i n LEU 162 Ca -0.02 -2.50 0.00 0.00 -0.01 0.00 0.00 56.01 53.48 1h2i n LEU 162 Cb 0.16 -0.41 0.00 0.00 -0.11 0.00 0.00 43.42 43.06 1h2i n LEU 162 CO 0.13 0.71 0.00 0.61 -1.51 0.00 0.00 177.39 177.33 1h2i n GLY 163 N 0.11 0.89 0.31 -0.72 0.00 0.41 -3.82 105.19 102.37 1h2i n GLY 163 Ca 0.17 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.40 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 -0.14 1.61 -0.00 -1.31 -2.76 115.58 112.98 1h2i h ASN 164 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.18 1h2i h ASN 164 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.32 1h2i h ASN 164 CO 0.00 0.00 -0.39 0.00 -0.00 0.00 0.00 177.43 177.04 1h2i n ILE 166 N -4.31 -0.01 -0.12 0.00 0.00 -1.04 0.12 119.36 114.01 1h2i n ILE 166 Ca -0.07 0.53 0.05 0.00 0.00 0.00 0.00 62.75 63.26 1h2i n ILE 166 Cb 0.53 -0.88 0.13 0.00 0.00 0.00 0.00 39.64 39.42 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 -2.71 2.75 -4.54 9.51 -0.00 -1.26 -4.90 117.00 115.86 1h2i n LEU 167 Ca 0.16 -1.93 -0.42 0.00 -0.00 0.00 0.00 56.01 53.81 1h2i n LEU 167 Cb 0.70 -0.19 -0.03 0.00 -0.00 0.00 0.00 43.42 43.89 1h2i n LEU 167 CO 0.15 0.68 0.93 -0.62 -0.00 0.00 0.00 177.39 178.53 1h2i s ASP 168 N -0.99 6.32 0.44 1.45 3.68 0.33 -4.94 116.67 122.97 1h2i s ASP 168 Ca 0.20 -0.30 0.22 0.00 2.13 0.00 0.00 52.55 54.80 1h2i s ASP 168 Cb 0.11 -2.49 1.19 0.00 -1.45 0.00 0.00 42.92 40.28 1h2i s ASP 168 CO 0.14 -1.44 1.82 0.11 0.13 0.00 0.00 175.17 175.93 1h2i h LYS 169 N 9.55 0.30 0.00 4.34 1.57 -1.90 0.10 116.57 130.52 1h2i h LYS 169 Ca -0.26 -0.02 -0.10 0.00 -1.87 0.00 0.00 60.65 58.40 1h2i h LYS 169 Cb 1.06 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 1h2i h LYS 169 CO 1.17 0.20 -0.49 -0.44 -0.57 0.00 0.00 179.45 179.31 1h2i h ASP 170 N 0.30 0.00 -0.04 0.86 3.32 -1.96 -0.32 116.42 118.58 1h2i h ASP 170 Ca 0.52 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.43 1h2i h ASP 170 Cb 1.48 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.04 1h2i h ASP 170 CO -0.18 0.49 -0.51 0.22 -1.72 0.00 0.00 179.24 177.54 1h2i h TYR 171 N 0.00 0.59 -0.46 4.55 3.20 -1.18 -2.41 116.97 121.26 1h2i h TYR 171 Ca -0.00 -0.29 0.00 0.00 3.14 0.00 0.00 58.73 61.58 1h2i h TYR 171 Cb 0.88 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 39.05 1h2i h TYR 171 CO 0.00 1.08 0.31 -0.07 -1.64 0.00 0.00 178.16 177.84 1h2i h LEU 172 N -0.06 0.53 0.19 2.82 3.38 -1.11 -1.47 115.31 119.58 1h2i h LEU 172 Ca -0.05 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.91 1h2i h LEU 172 Cb 1.19 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.78 1h2i h LEU 172 CO 0.10 0.39 -0.25 -0.09 0.09 0.00 0.00 178.44 178.68 1h2i h ARG 173 N 0.63 -0.48 0.00 1.13 2.43 -1.08 -1.40 114.38 115.61 1h2i h ARG 173 Ca 0.17 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 1h2i h ARG 173 Cb -0.07 0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1h2i h ARG 173 CO -0.04 -0.32 0.00 -1.13 -1.51 0.00 0.00 179.97 176.98 1h2i n SER 174 N -5.37 0.00 0.08 -3.80 3.41 -0.91 -1.92 113.62 105.11 1h2i n SER 174 Ca -0.08 0.15 -0.20 0.00 -0.26 0.00 0.00 58.87 58.49 1h2i n SER 174 Cb 0.28 -0.33 -0.15 0.00 -0.26 0.00 0.00 64.21 63.75 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 -1.45 1.04 3.38 -0.21 -3.30 115.31 115.30 1h2i h LEU 175 Ca 0.00 -0.74 -0.03 0.00 0.09 0.00 0.00 57.88 57.20 1h2i h LEU 175 Cb 0.18 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1h2i h LEU 175 CO 0.00 1.61 -0.01 0.78 0.09 0.00 0.00 178.44 180.91 1h2i h ASN 176 N 0.09 0.31 0.00 -0.43 2.35 -0.68 -2.91 115.58 114.32 1h2i h ASN 176 Ca -0.28 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1h2i h ASN 176 Cb 2.07 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 40.36 1h2i h ASN 176 CO 0.18 0.38 0.00 0.29 -1.65 0.00 0.00 177.43 176.63 1h2i n LYS 177 N -4.34 0.74 -4.18 0.81 5.02 -1.16 -4.76 118.16 110.28 1h2i n LYS 177 Ca 0.00 0.00 -0.16 0.00 -2.02 0.00 0.00 58.31 56.14 1h2i n LYS 177 Cb 0.21 -1.13 -0.11 0.00 -0.02 0.00 0.00 35.03 33.97 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 2.38 0.00 -0.35 1.43 -1.10 -5.08 118.68 115.96 1h2i s LEU 178 Ca 0.00 -0.77 -0.07 0.00 -1.03 0.00 0.00 54.13 52.26 1h2i s LEU 178 Cb 0.00 -0.37 0.10 0.00 0.03 0.00 0.00 46.19 45.95 1h2i s LEU 178 CO 0.00 -0.21 0.23 -2.65 0.23 0.00 0.00 176.35 173.95 1h2i n PRO 179 N 0.70 -0.47 -2.52 1.29 -0.02 -1.26 -4.85 135.00 127.88 1h2i n PRO 179 Ca -0.17 -0.39 -0.43 0.00 -2.02 0.00 0.00 63.50 60.50 1h2i n PRO 179 Cb 0.57 -0.86 -0.02 0.00 -0.02 0.00 0.00 33.50 33.17 1h2i n PRO 179 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1h2i s ARG 180 N -2.53 4.19 -1.21 -0.52 0.52 -1.26 -4.90 118.95 113.24 1h2i s ARG 180 Ca 0.18 1.47 -0.19 0.00 -0.52 0.00 0.00 55.73 56.67 1h2i s ARG 180 Cb -0.03 -3.74 0.07 0.00 0.52 0.00 0.00 34.95 31.77 1h2i s ARG 180 CO 0.15 -0.75 1.62 1.14 0.02 0.00 0.00 175.30 177.49 1h2i s GLN 181 N 3.49 3.87 0.09 3.54 1.03 -1.26 -4.94 119.66 125.49 1h2i s GLN 181 Ca 0.51 -1.78 -0.31 0.00 0.04 0.00 0.00 55.36 53.82 1h2i s GLN 181 Cb -0.18 -5.45 -0.09 0.00 0.03 0.00 0.00 33.01 27.32 1h2i s GLN 181 CO 0.13 -2.20 1.70 -0.48 -2.54 0.00 0.00 175.29 171.90 1h2i s LEU 182 N 4.24 4.38 -0.01 2.60 2.34 -1.26 -4.85 118.68 126.11 1h2i s LEU 182 Ca 0.51 2.58 -0.01 0.00 0.06 0.00 0.00 54.13 57.27 1h2i s LEU 182 Cb 0.02 -3.57 -0.01 0.00 -0.56 0.00 0.00 46.19 42.08 1h2i s LEU 182 CO 0.02 -0.92 0.04 -2.65 -1.06 0.00 0.00 176.35 171.78 1h2i n PRO 183 N 5.50 0.00 -3.39 1.48 -0.02 -1.26 -4.90 135.00 132.40 1h2i n PRO 183 Ca 0.16 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.32 1h2i n PRO 183 Cb 0.40 -0.04 -0.05 0.00 -0.02 0.00 0.00 33.50 33.78 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 0.07 4.17 0.08 2.45 1.98 -1.26 -5.06 118.68 121.11 1h2i s LEU 184 Ca 0.03 0.96 -0.18 0.00 -2.89 0.00 0.00 54.13 52.04 1h2i s LEU 184 Cb -0.04 -3.68 -0.07 0.00 0.66 0.00 0.00 46.19 43.07 1h2i s LEU 184 CO 0.02 -0.07 0.56 -1.61 -1.89 0.00 0.00 176.35 173.36 1h2i s GLU 185 N -2.76 4.15 -0.39 1.98 0.41 -1.26 -5.06 118.70 115.77 1h2i s GLU 185 Ca 0.47 0.68 -0.09 0.00 -0.41 0.00 0.00 54.97 55.62 1h2i s GLU 185 Cb -0.11 -3.18 0.06 0.00 -1.78 0.00 0.00 34.13 29.12 1h2i s GLU 185 CO 0.21 0.61 0.21 0.08 -0.49 0.00 0.00 175.26 175.88 1h2i s VAL 186 N -1.18 4.19 -0.44 2.63 1.01 -1.26 -5.07 120.40 120.29 1h2i s VAL 186 Ca 0.30 -1.23 -0.26 0.00 0.00 0.00 0.00 61.98 60.80 1h2i s VAL 186 Cb -0.18 -3.48 0.02 0.00 0.00 0.00 0.00 36.38 32.74 1h2i s VAL 186 CO 0.19 -0.38 0.94 -0.62 0.00 0.00 0.00 175.10 175.24 1h2i s ASP 187 N 1.82 6.56 -0.42 3.32 3.68 -1.26 -4.95 116.67 125.43 1h2i s ASP 187 Ca 0.02 0.28 0.05 0.00 2.13 0.00 0.00 52.55 55.03 1h2i s ASP 187 Cb -0.21 -2.46 0.55 0.00 -1.45 0.00 0.00 42.92 39.35 1h2i s ASP 187 CO 0.03 -1.01 1.71 0.18 0.13 0.00 0.00 175.17 176.21 1h2i n LEU 188 N 7.12 5.78 0.52 -1.34 4.77 -1.26 -4.57 117.00 128.02 1h2i n LEU 188 Ca 0.07 -3.89 -0.21 0.00 -0.03 0.00 0.00 56.01 51.95 1h2i n LEU 188 Cb 0.48 -0.75 -0.10 0.00 -2.33 0.00 0.00 43.42 40.73 1h2i n LEU 188 CO 0.63 1.30 0.54 0.74 -1.33 0.00 0.00 177.39 179.27 1h2i h THR 189 N 1.10 0.00 0.00 -5.08 2.02 -2.05 -2.59 112.91 106.31 1h2i h THR 189 Ca 0.46 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.64 1h2i h THR 189 Cb 1.96 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1h2i h THR 189 CO 0.89 0.00 0.00 0.29 0.37 0.00 0.00 175.52 177.07 1h2i n LYS 190 N -5.66 0.93 -2.55 6.66 5.02 -1.26 -4.92 118.16 116.38 1h2i n LYS 190 Ca -0.17 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.71 1h2i n LYS 190 Cb 0.53 -1.04 -0.04 0.00 -0.02 0.00 0.00 35.03 34.47 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 0.09 3.34 0.12 7.82 0.00 -0.98 -4.96 121.76 127.19 1h2i s ALA 191 Ca 0.00 0.77 -0.31 0.00 0.00 0.00 0.00 51.96 52.41 1h2i s ALA 191 Cb 0.00 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 1h2i s ALA 191 CO 0.00 -0.19 1.83 1.17 0.00 0.00 0.00 175.76 178.57 1h2i n LYS 192 N 2.58 2.74 0.00 0.00 4.81 -1.26 -4.87 118.16 122.16 1h2i n LYS 192 Ca 0.03 1.00 0.02 0.00 -0.87 0.00 0.00 58.31 58.49 1h2i n LYS 192 Cb 0.47 -2.89 -0.01 0.00 0.02 0.00 0.00 35.03 32.62 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 5.57 3.61 -4.43 1.64 1.74 -1.26 -5.04 116.66 118.49 1h2i n ARG 193 Ca 0.18 -0.26 -0.21 0.00 -0.77 0.00 0.00 57.85 56.79 1h2i n ARG 193 Cb 0.37 -0.83 -0.10 0.00 -1.02 0.00 0.00 32.46 30.88 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 -1.06 1.66 -0.19 5.56 -0.21 -1.26 -5.08 119.66 119.08 1h2i s GLN 194 Ca 0.03 -1.95 -0.20 0.00 0.02 0.00 0.00 55.36 53.26 1h2i s GLN 194 Cb 0.03 -0.61 -0.20 0.00 1.00 0.00 0.00 33.01 33.23 1h2i s GLN 194 CO 0.14 -0.31 0.25 -0.44 -2.12 0.00 0.00 175.29 172.81 1h2i h ASP 195 N 2.10 0.07 -1.93 5.90 3.45 -2.04 -3.47 116.42 120.48 1h2i h ASP 195 Ca -0.38 -0.58 -0.65 0.00 0.43 0.00 0.00 57.03 55.84 1h2i h ASP 195 Cb 1.25 -0.02 0.07 0.00 -0.56 0.00 0.00 39.33 40.07 1h2i h ASP 195 CO 0.63 1.54 0.35 -0.11 -1.57 0.00 0.00 179.24 180.08 1h2i n LEU 196 N -4.30 1.71 -3.60 1.55 -0.00 -1.26 -4.97 117.00 106.13 1h2i n LEU 196 Ca -0.32 1.13 -0.27 0.00 -0.00 0.00 0.00 56.01 56.56 1h2i n LEU 196 Cb 0.73 -1.23 -0.10 0.00 -0.00 0.00 0.00 43.42 42.82 1h2i n LEU 196 CO 0.23 -1.15 -0.15 -0.62 -0.00 0.00 0.00 177.39 175.70 1h2i n GLU 197 N 2.02 1.20 -0.26 1.96 -0.58 -1.26 -5.03 120.64 118.69 1h2i n GLU 197 Ca 0.16 -3.91 -0.01 0.00 -0.42 0.00 0.00 57.16 52.98 1h2i n GLU 197 Cb 0.24 -1.97 0.06 0.00 -0.57 0.00 0.00 31.44 29.20 1h2i n GLU 197 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1h2i h PRO 198 N 5.24 -0.05 -0.90 3.49 0.11 -1.99 0.14 132.00 138.05 1h2i h PRO 198 Ca 0.19 0.00 0.02 0.00 0.11 0.00 0.00 66.00 66.32 1h2i h PRO 198 Cb 0.81 0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.89 1h2i h PRO 198 CO 0.58 -0.03 0.60 0.66 -0.21 0.00 0.00 178.00 179.59 1h2i h SER 199 N -0.05 1.02 0.15 -2.05 4.64 -2.00 -1.46 113.55 113.80 1h2i h SER 199 Ca 0.33 -0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.62 1h2i h SER 199 Cb 0.57 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.41 1h2i h SER 199 CO -0.78 0.73 -0.07 0.58 -0.87 0.00 0.00 176.83 176.41 1h2i h VAL 200 N 1.20 0.96 -0.75 0.95 2.07 -1.45 -1.56 116.25 117.68 1h2i h VAL 200 Ca 0.34 -0.49 0.12 0.00 0.82 0.00 0.00 66.70 67.49 1h2i h VAL 200 Cb -0.10 1.27 -0.09 0.00 -1.52 0.00 0.00 31.29 30.85 1h2i h VAL 200 CO -0.09 0.12 0.34 -0.08 0.02 0.00 0.00 177.57 177.88 1h2i h GLU 201 N -0.43 0.51 0.28 1.57 4.57 -0.55 0.15 114.58 120.67 1h2i h GLU 201 Ca -0.02 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1h2i h GLU 201 Cb 0.34 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1h2i h GLU 201 CO 0.03 0.34 -0.13 1.49 -1.18 0.00 0.00 179.01 179.56 1h2i h GLU 202 N 0.52 -0.36 -0.67 1.92 4.81 -1.14 -0.83 114.58 118.84 1h2i h GLU 202 Ca 0.40 0.02 0.12 0.00 -0.13 0.00 0.00 59.36 59.77 1h2i h GLU 202 Cb 0.53 0.08 -0.08 0.00 0.63 0.00 0.00 28.75 29.91 1h2i h GLU 202 CO -0.35 -0.24 0.23 0.00 -0.73 0.00 0.00 179.01 177.93 1h2i h ALA 203 N 0.36 0.88 0.10 2.92 0.00 -0.18 -2.44 119.26 120.91 1h2i h ALA 203 Ca -0.04 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1h2i h ALA 203 Cb 0.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1h2i h ALA 203 CO 0.06 -0.22 -0.05 -0.09 0.00 0.00 0.00 179.25 178.95 1h2i h ARG 204 N 0.39 -0.14 0.00 0.00 2.43 -0.50 -2.69 114.38 113.87 1h2i h ARG 204 Ca 0.35 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.52 1h2i h ARG 204 Cb 0.50 0.03 -0.00 0.00 -0.42 0.00 0.00 29.97 30.08 1h2i h ARG 204 CO -0.37 0.14 -0.03 -0.92 -1.51 0.00 0.00 179.97 177.27 1h2i h TYR 205 N -0.40 0.00 0.00 2.20 3.20 -0.98 -0.87 116.97 120.11 1h2i h TYR 205 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 1h2i h TYR 205 Cb 0.33 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.60 1h2i h TYR 205 CO 0.01 0.03 -0.68 -0.91 -1.64 0.00 0.00 178.16 174.98 1h2i h ASN 206 N 0.00 0.00 0.76 -2.11 2.35 -1.33 -3.32 115.58 111.94 1h2i h ASN 206 Ca -0.00 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.65 1h2i h ASN 206 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1h2i h ASN 206 CO 0.00 0.05 0.00 0.77 -1.65 0.00 0.00 177.43 176.60 1h2i h SER 207 N 0.00 0.00 -0.36 5.81 4.64 -0.81 -2.67 113.55 120.16 1h2i h SER 207 Ca 0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 1h2i h SER 207 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.95 1h2i h SER 207 CO 0.00 0.00 0.02 0.00 -0.87 0.00 0.00 176.83 175.98