#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 -3.05 2.69 0.00 0.00 7.35 -1.26 -1.71 117.46 121.49 1h2i n PHE 26 Ca 0.08 0.18 0.00 0.00 -0.76 0.00 0.00 57.45 56.95 1h2i n PHE 26 Cb 0.29 -2.61 0.00 0.00 0.35 0.00 0.00 39.48 37.50 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 3.07 1.56 0.05 7.13 0.00 0.36 -4.87 105.19 112.48 1h2i n GLY 27 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 2.34 -1.92 1.61 6.02 -0.69 -3.81 117.38 118.92 1h2i n GLN 28 Ca 0.00 -1.38 -0.30 0.00 -0.01 0.00 0.00 57.00 55.31 1h2i n GLN 28 Cb 0.00 -1.02 0.03 0.00 1.02 0.00 0.00 30.24 30.27 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 -5.27 1.25 0.33 0.00 0.74 -1.26 -4.23 119.66 111.22 1h2i s GLN 30 Ca 0.57 -0.39 -0.28 0.00 0.05 0.00 0.00 55.36 55.31 1h2i s GLN 30 Cb -0.11 -1.12 -0.10 0.00 1.10 0.00 0.00 33.01 32.78 1h2i s GLN 30 CO 0.52 0.13 1.25 0.71 -0.55 0.00 0.00 175.29 177.35 1h2i s TYR 31 N 0.24 3.16 0.58 1.67 1.51 -1.26 -5.00 117.35 118.25 1h2i s TYR 31 Ca -0.05 1.49 -0.15 0.00 -1.01 0.00 0.00 57.07 57.35 1h2i s TYR 31 Cb -0.10 -3.57 -0.05 0.00 -0.11 0.00 0.00 41.96 38.13 1h2i s TYR 31 CO 0.01 -1.53 1.03 0.95 -1.11 0.00 0.00 175.55 174.90 1h2i s THR 32 N -1.17 4.25 0.26 -0.71 -4.23 -1.26 -4.81 115.64 107.96 1h2i s THR 32 Ca 0.49 0.97 -0.02 0.00 -1.18 0.00 0.00 61.69 61.95 1h2i s THR 32 Cb -0.37 -3.58 0.23 0.00 1.34 0.00 0.00 72.50 70.12 1h2i s THR 32 CO 0.49 -0.72 1.80 0.00 -0.54 0.00 0.00 174.62 175.66 1h2i h ALA 33 N 0.36 1.26 0.03 3.99 0.00 -1.99 0.10 119.26 123.02 1h2i h ALA 33 Ca -0.46 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.49 1h2i h ALA 33 Cb 1.20 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1h2i h ALA 33 CO 0.60 0.07 -0.02 1.49 0.00 0.00 0.00 179.25 181.39 1h2i h GLU 34 N 0.78 -0.04 -0.61 0.00 4.81 -1.99 -0.35 114.58 117.18 1h2i h GLU 34 Ca 0.43 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.58 1h2i h GLU 34 Cb 0.46 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.83 1h2i h GLU 34 CO -0.28 0.10 0.04 1.49 -0.73 0.00 0.00 179.01 179.63 1h2i h GLU 35 N -0.18 1.05 -0.21 1.92 4.81 -1.82 -1.47 114.58 118.67 1h2i h GLU 35 Ca -0.00 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 58.95 1h2i h GLU 35 Cb 0.17 -0.10 -0.03 0.00 0.63 0.00 0.00 28.75 29.41 1h2i h GLU 35 CO 0.01 1.01 0.00 -0.92 -0.73 0.00 0.00 179.01 178.38 1h2i h TYR 36 N 0.95 -0.00 -0.49 0.92 3.20 -0.69 -1.42 116.97 119.43 1h2i h TYR 36 Ca 0.18 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.04 1h2i h TYR 36 Cb 0.51 0.03 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 1h2i h TYR 36 CO 0.04 -0.03 0.21 0.37 -1.64 0.00 0.00 178.16 177.11 1h2i h GLN 37 N 0.07 0.72 -0.41 1.82 4.15 -0.85 0.83 115.11 121.45 1h2i h GLN 37 Ca 0.10 -0.12 -0.00 0.00 0.77 0.00 0.00 58.65 59.39 1h2i h GLN 37 Cb 0.12 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.67 1h2i h GLN 37 CO -0.16 0.63 0.24 0.00 -1.93 0.00 0.00 178.83 177.61 1h2i h ALA 38 N 1.05 0.52 -0.38 3.38 0.00 -1.02 -2.33 119.26 120.48 1h2i h ALA 38 Ca 0.16 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.94 1h2i h ALA 38 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1h2i h ALA 38 CO -0.02 0.02 -0.05 0.82 0.00 0.00 0.00 179.25 180.02 1h2i h ILE 39 N 0.54 1.27 -0.66 0.00 2.04 -1.12 0.56 117.51 120.13 1h2i h ILE 39 Ca 0.15 -1.09 0.13 0.00 1.00 0.00 0.00 64.86 65.04 1h2i h ILE 39 Cb 0.01 1.21 -0.09 0.00 -0.74 0.00 0.00 36.82 37.20 1h2i h ILE 39 CO -0.03 0.36 0.17 1.56 0.00 0.00 0.00 178.15 180.22 1h2i h GLN 40 N 0.52 0.29 -0.06 2.37 1.08 -0.62 0.41 115.11 119.10 1h2i h GLN 40 Ca 0.10 -0.02 -0.02 0.00 -1.45 0.00 0.00 58.65 57.27 1h2i h GLN 40 Cb 0.54 -0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1h2i h GLN 40 CO 0.03 0.19 -0.03 0.87 -0.95 0.00 0.00 178.83 178.94 1h2i h LYS 41 N 0.30 0.12 -0.91 1.46 1.57 -1.19 -3.21 116.57 114.70 1h2i h LYS 41 Ca 0.36 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 59.16 1h2i h LYS 41 Cb 0.55 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1h2i h LYS 41 CO -0.42 0.52 0.59 0.00 -0.57 0.00 0.00 179.45 179.57 1h2i h ALA 42 N 0.60 1.54 0.00 3.86 0.00 -0.29 -2.14 119.26 122.83 1h2i h ALA 42 Ca 0.01 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 42 Cb 0.49 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.03 1h2i h ALA 42 CO 0.01 0.30 -0.07 -0.07 0.00 0.00 0.00 179.25 179.42 1h2i h LEU 43 N 0.99 0.00 -1.30 0.00 3.38 -0.94 -2.77 115.31 114.67 1h2i h LEU 43 Ca 0.40 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.30 1h2i h LEU 43 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 1h2i h LEU 43 CO -0.16 0.07 -0.35 0.03 0.09 0.00 0.00 178.44 178.12 1h2i h ARG 44 N 0.00 0.00 -6.64 1.13 3.08 -1.42 0.18 114.38 110.70 1h2i h ARG 44 Ca -0.00 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.47 1h2i h ARG 44 Cb 0.17 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.33 1h2i h ARG 44 CO 0.01 0.35 0.39 1.04 -1.07 0.00 0.00 179.97 180.69 1h2i n GLN 45 N -4.05 1.86 -2.95 0.04 6.02 -1.05 -4.59 117.38 112.67 1h2i n GLN 45 Ca -0.02 0.65 -0.27 0.00 -0.01 0.00 0.00 57.00 57.36 1h2i n GLN 45 Cb 0.39 -2.17 -0.01 0.00 1.02 0.00 0.00 30.24 29.47 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 -1.63 3.57 0.05 -1.09 1.81 -1.26 -1.33 118.95 119.06 1h2i s ARG 46 Ca 0.58 0.06 -0.03 0.00 -1.72 0.00 0.00 55.73 54.62 1h2i s ARG 46 Cb -0.62 -2.49 -0.04 0.00 -0.45 0.00 0.00 34.95 31.34 1h2i s ARG 46 CO 0.60 -0.04 0.25 -0.48 -0.68 0.00 0.00 175.30 174.96 1h2i s LEU 47 N -4.36 4.35 1.17 2.53 2.34 -1.26 -4.91 118.68 118.53 1h2i s LEU 47 Ca 0.45 0.42 -0.18 0.00 0.06 0.00 0.00 54.13 54.88 1h2i s LEU 47 Cb -0.10 -2.87 0.27 0.00 -0.56 0.00 0.00 46.19 42.93 1h2i s LEU 47 CO 0.39 0.19 1.11 -0.83 -1.06 0.00 0.00 176.35 176.15 1h2i s GLY 48 N -2.16 1.58 0.61 -3.48 0.00 -1.26 -4.91 107.32 97.70 1h2i s GLY 48 Ca 0.32 -0.85 0.32 0.00 0.00 0.00 0.00 44.72 44.52 1h2i s GLY 48 CO 0.22 -0.01 2.26 -2.55 0.00 0.00 0.00 173.10 173.02 1h2i h PRO 49 N -2.46 0.00 0.00 2.90 0.11 -1.95 -2.33 132.00 128.27 1h2i h PRO 49 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1h2i h PRO 49 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1h2i h PRO 49 CO 0.38 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.32 1h2i n GLU 50 N -3.69 0.11 -0.11 1.05 0.00 -1.26 -2.75 120.64 113.99 1h2i n GLU 50 Ca -0.03 0.21 -0.14 0.00 0.00 0.00 0.00 57.16 57.21 1h2i n GLU 50 Cb 0.11 -1.50 -0.13 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 -1.36 0.00 -2.70 -1.84 4.02 -0.88 -4.99 117.16 109.41 1h2i n TYR 51 Ca 0.05 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.52 1h2i n TYR 51 Cb 0.12 -0.96 -0.03 0.00 -0.02 0.00 0.00 39.34 38.45 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 -2.48 4.84 0.36 -0.72 -1.09 -1.11 -4.39 121.20 116.61 1h2i s ILE 52 Ca -0.23 2.04 0.04 0.00 -2.23 0.00 0.00 60.65 60.28 1h2i s ILE 52 Cb 0.07 -4.31 -0.06 0.00 -1.58 0.00 0.00 42.46 36.58 1h2i s ILE 52 CO 0.67 0.15 0.06 -0.94 -1.23 0.00 0.00 174.94 173.65 1h2i s SER 53 N 1.02 2.72 0.11 3.58 1.04 -0.36 -4.98 113.70 116.83 1h2i s SER 53 Ca 0.52 -1.42 -0.09 0.00 0.48 0.00 0.00 55.95 55.44 1h2i s SER 53 Cb -0.21 -0.04 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 1h2i s SER 53 CO 0.28 -0.63 0.22 -0.94 0.98 0.00 0.00 173.24 173.14 1h2i s SER 54 N -3.55 0.10 0.19 7.02 1.04 -1.26 -1.41 113.70 115.82 1h2i s SER 54 Ca 0.33 -0.71 -0.04 0.00 0.48 0.00 0.00 55.95 56.02 1h2i s SER 54 Cb 0.08 0.37 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1h2i s SER 54 CO 0.15 -0.77 0.18 0.00 0.98 0.00 0.00 173.24 173.78 1h2i s ARG 55 N -3.89 1.18 -0.27 4.02 1.70 -0.55 -4.96 118.95 116.17 1h2i s ARG 55 Ca 0.08 -1.48 -0.17 0.00 -0.47 0.00 0.00 55.73 53.69 1h2i s ARG 55 Cb 0.04 0.30 -0.03 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.08 -0.40 0.50 -1.64 -1.08 0.00 0.00 175.30 172.60 1h2i s MET 56 N -4.09 4.01 0.74 3.89 -1.94 -1.26 -1.39 119.30 119.25 1h2i s MET 56 Ca 0.31 0.22 -0.11 0.00 -1.71 0.00 0.00 55.69 54.40 1h2i s MET 56 Cb 0.06 -3.67 0.04 0.00 2.01 0.00 0.00 34.83 33.26 1h2i s MET 56 CO 0.08 -0.38 1.08 0.00 -0.01 0.00 0.00 175.02 175.79 1h2i s ALA 57 N 2.29 2.49 0.38 3.03 0.00 0.64 -4.89 121.76 125.70 1h2i s ALA 57 Ca 0.20 -0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.16 1h2i s ALA 57 Cb -0.16 -3.13 0.83 0.00 0.00 0.00 0.00 23.12 20.66 1h2i s ALA 57 CO 0.10 -1.45 1.94 0.78 0.00 0.00 0.00 175.76 177.13 1h2i h GLY 58 N -0.89 0.93 -0.82 0.00 0.00 -1.97 -0.41 103.07 99.91 1h2i h GLY 58 Ca -0.45 -0.27 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1h2i h GLY 58 CO 0.59 0.16 0.00 0.61 0.00 0.00 0.00 176.54 177.90 1h2i n GLY 59 N -1.46 0.67 3.43 4.60 0.00 -1.26 -4.75 105.19 106.42 1h2i n GLY 59 Ca 0.12 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 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 0.17 -0.54 3.09 -0.02 0.00 -0.16 -4.99 105.19 102.74 1h2i n GLY 60 Ca 0.00 0.21 -0.22 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.14 1.18 0.35 1.61 -2.07 -1.22 -4.90 119.66 108.47 1h2i s GLN 61 Ca 0.50 -0.48 -0.29 0.00 -1.82 0.00 0.00 55.36 53.28 1h2i s GLN 61 Cb -0.22 -1.11 -0.11 0.00 -1.09 0.00 0.00 33.01 30.47 1h2i s GLN 61 CO 0.62 0.26 1.49 1.17 -1.32 0.00 0.00 175.29 177.51 1h2i n LYS 62 N 2.88 2.61 -3.85 9.60 4.81 -1.26 -0.26 118.16 132.69 1h2i n LYS 62 Ca -0.15 0.92 -0.24 0.00 -0.87 0.00 0.00 58.31 57.97 1h2i n LYS 62 Cb 0.55 -2.64 -0.17 0.00 0.02 0.00 0.00 35.03 32.78 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 -0.83 0.58 0.15 3.15 1.01 -0.49 -4.85 120.40 119.12 1h2i s VAL 63 Ca 0.56 -0.02 -0.10 0.00 0.00 0.00 0.00 61.98 62.42 1h2i s VAL 63 Cb -0.49 -0.68 -0.06 0.00 0.00 0.00 0.00 36.38 35.14 1h2i s VAL 63 CO 0.60 0.29 0.48 0.00 0.00 0.00 0.00 175.10 176.47 1h2i s TYR 65 N -1.58 -0.24 -0.09 0.00 -0.85 -0.50 -5.00 117.35 109.09 1h2i s TYR 65 Ca 0.40 -0.09 0.00 0.00 -0.52 0.00 0.00 57.07 56.86 1h2i s TYR 65 Cb -0.13 0.64 -0.03 0.00 0.38 0.00 0.00 41.96 42.83 1h2i s TYR 65 CO 0.20 -0.97 -0.08 0.42 -1.52 0.00 0.00 175.55 173.60 1h2i s ILE 66 N -3.60 3.54 0.27 -3.49 1.01 -1.26 -1.22 121.20 116.45 1h2i s ILE 66 Ca 0.09 -0.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.93 1h2i s ILE 66 Cb -0.03 -2.47 -0.09 0.00 0.01 0.00 0.00 42.46 39.88 1h2i s ILE 66 CO 0.01 0.57 1.12 -1.61 0.00 0.00 0.00 174.94 175.02 1h2i s GLU 67 N -0.39 4.61 0.29 2.79 2.02 -1.26 -4.90 118.70 121.84 1h2i s GLU 67 Ca 0.05 1.83 -0.00 0.00 0.02 0.00 0.00 54.97 56.87 1h2i s GLU 67 Cb -0.12 -3.19 0.67 0.00 0.10 0.00 0.00 34.13 31.58 1h2i s GLU 67 CO 0.02 0.15 1.61 0.78 0.02 0.00 0.00 175.26 177.85 1h2i h GLY 68 N 4.01 1.20 2.00 -1.39 0.00 -1.99 0.36 103.07 107.27 1h2i h GLY 68 Ca -0.46 0.07 -0.03 0.00 0.00 0.00 0.00 47.33 46.91 1h2i h GLY 68 CO 0.68 -0.41 -0.13 1.12 0.00 0.00 0.00 176.54 177.80 1h2i h HIS 69 N 0.10 0.00 -0.11 5.60 2.07 -2.00 0.35 115.15 121.16 1h2i h HIS 69 Ca 0.54 0.00 -0.23 0.00 -2.85 0.00 0.00 60.37 57.83 1h2i h HIS 69 Cb 1.08 0.00 0.01 0.00 2.57 0.00 0.00 27.41 31.07 1h2i h HIS 69 CO -0.39 0.13 -0.82 0.00 -3.07 0.00 0.00 177.93 173.78 1h2i h ARG 70 N 0.00 0.75 -0.56 5.12 2.47 -0.65 -2.71 114.38 118.79 1h2i h ARG 70 Ca -0.00 -0.66 -0.06 0.00 -1.26 0.00 0.00 59.98 58.00 1h2i h ARG 70 Cb 0.31 0.15 -0.02 0.00 -1.65 0.00 0.00 29.97 28.76 1h2i h ARG 70 CO 0.02 1.26 0.11 0.28 0.56 0.00 0.00 179.97 182.19 1h2i h VAL 71 N 0.46 1.25 -0.57 2.04 2.07 -0.95 0.14 116.25 120.70 1h2i h VAL 71 Ca -0.07 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.53 1h2i h VAL 71 Cb 1.46 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 31.98 1h2i h VAL 71 CO 0.17 0.34 0.35 0.40 0.02 0.00 0.00 177.57 178.85 1h2i h ILE 72 N 0.81 1.08 -0.08 4.57 2.04 -0.94 -0.33 117.51 124.65 1h2i h ILE 72 Ca 0.17 -0.24 -0.13 0.00 1.00 0.00 0.00 64.86 65.66 1h2i h ILE 72 Cb 0.39 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1h2i h ILE 72 CO 0.01 0.13 -0.54 0.78 0.00 0.00 0.00 178.15 178.53 1h2i h ASN 73 N 0.70 0.26 -0.48 1.72 2.35 -1.12 -0.33 115.58 118.68 1h2i h ASN 73 Ca 0.23 -0.14 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 1h2i h ASN 73 Cb 0.01 -0.07 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 73 CO -0.09 0.75 0.22 -0.07 -1.65 0.00 0.00 177.43 176.59 1h2i h LEU 74 N 0.18 0.65 -0.05 1.61 3.38 -0.19 -1.87 115.31 119.02 1h2i h LEU 74 Ca 0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.82 1h2i h LEU 74 Cb 1.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 1h2i h LEU 74 CO 0.08 0.61 0.02 0.00 0.09 0.00 0.00 178.44 179.25 1h2i h ALA 75 N 1.06 0.07 -0.92 1.53 0.00 -0.63 0.70 119.26 121.07 1h2i h ALA 75 Ca 0.16 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.05 1h2i h ALA 75 Cb 0.15 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1h2i h ALA 75 CO -0.02 -0.34 0.58 -0.91 0.00 0.00 0.00 179.25 178.56 1h2i h ASN 76 N -0.08 0.93 0.34 0.00 2.35 -0.93 -0.28 115.58 117.89 1h2i h ASN 76 Ca 0.02 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.57 1h2i h ASN 76 Cb 0.17 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.36 1h2i h ASN 76 CO -0.00 0.59 -0.87 -0.33 -1.65 0.00 0.00 177.43 175.17 1h2i h GLU 77 N 1.06 0.39 -0.19 0.81 4.39 -1.22 0.70 114.58 120.52 1h2i h GLU 77 Ca 0.40 -0.38 -0.08 0.00 0.34 0.00 0.00 59.36 59.64 1h2i h GLU 77 Cb 0.18 0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 1h2i h GLU 77 CO -0.18 1.05 -0.20 1.98 -1.16 0.00 0.00 179.01 180.51 1h2i h MET 78 N 0.23 0.46 -0.00 2.33 4.05 -0.24 -3.37 114.93 118.40 1h2i h MET 78 Ca -0.06 -0.25 0.00 0.00 -0.28 0.00 0.00 59.70 59.11 1h2i h MET 78 Cb 1.48 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 32.29 1h2i h MET 78 CO 0.15 0.82 -0.41 1.19 0.23 0.00 0.00 176.91 178.89 1h2i n PHE 79 N -4.46 0.00 0.00 1.39 3.72 -0.17 -4.98 117.46 112.96 1h2i n PHE 79 Ca -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.35 1h2i n PHE 79 Cb 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 1.18 1.06 0.37 1.37 0.00 0.24 -3.29 105.19 106.12 1h2i n GLY 80 Ca 0.02 -1.54 0.19 0.00 0.00 0.00 0.00 46.02 44.69 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 -0.34 1.61 -0.00 -1.88 0.39 116.97 116.75 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 -3.61 3.48 -0.36 0.10 2.04 -1.26 -4.53 115.26 111.12 1h2i n ASN 82 Ca 0.05 -2.44 0.11 0.00 -0.44 0.00 0.00 54.58 51.86 1h2i n ASN 82 Cb 0.53 -0.39 -0.02 0.00 -2.53 0.00 0.00 39.78 37.37 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 0.17 -0.26 3.18 4.83 0.00 0.14 -4.70 105.19 108.56 1h2i n GLY 83 Ca 0.17 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.62 0.20 0.22 1.61 1.48 -1.25 -1.72 118.94 116.86 1h2i s TRP 84 Ca 0.16 -0.63 -0.15 0.00 -1.06 0.00 0.00 56.10 54.42 1h2i s TRP 84 Cb 0.18 -0.11 0.01 0.00 -1.16 0.00 0.00 33.47 32.39 1h2i s TRP 84 CO 0.65 -0.51 0.49 0.00 -4.06 0.00 0.00 176.95 173.52 1h2i s ALA 85 N -3.75 -0.55 -0.09 2.67 0.00 0.13 -4.96 121.76 115.21 1h2i s ALA 85 Ca 0.04 -0.59 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 1h2i s ALA 85 Cb 0.05 0.94 0.06 0.00 0.00 0.00 0.00 23.12 24.16 1h2i s ALA 85 CO -0.10 -0.82 0.57 -3.38 0.00 0.00 0.00 175.76 172.02 1h2i s HIS 86 N -3.95 -0.55 0.12 0.00 -3.43 -1.26 0.13 115.29 106.35 1h2i s HIS 86 Ca 0.16 1.04 0.01 0.00 -0.80 0.00 0.00 55.06 55.47 1h2i s HIS 86 Cb -0.01 0.29 -0.04 0.00 -1.43 0.00 0.00 32.58 31.39 1h2i s HIS 86 CO 0.03 -0.48 -0.02 -1.54 -2.00 0.00 0.00 174.74 170.73 1h2i s SER 87 N -0.84 0.89 -0.42 7.38 1.04 -0.31 -4.98 113.70 116.45 1h2i s SER 87 Ca -0.09 -1.09 -0.14 0.00 0.48 0.00 0.00 55.95 55.11 1h2i s SER 87 Cb -0.02 0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1h2i s SER 87 CO 0.06 -0.57 0.31 -0.63 0.98 0.00 0.00 173.24 173.40 1h2i s ILE 88 N -3.76 5.11 0.29 -1.02 1.01 -1.26 -1.31 121.20 120.26 1h2i s ILE 88 Ca 0.17 -0.85 0.09 0.00 0.00 0.00 0.00 60.65 60.06 1h2i s ILE 88 Cb 0.06 -3.92 0.01 0.00 0.01 0.00 0.00 42.46 38.62 1h2i s ILE 88 CO -0.02 -0.39 1.67 0.71 0.00 0.00 0.00 174.94 176.91 1h2i h THR 89 N 5.72 1.36 -1.44 2.92 1.35 -1.13 -3.46 112.91 118.23 1h2i h THR 89 Ca -0.27 -1.77 0.11 0.00 -0.55 0.00 0.00 66.41 63.93 1h2i h THR 89 Cb 1.11 1.91 -0.26 0.00 -1.73 0.00 0.00 68.15 69.18 1h2i h THR 89 CO 0.77 0.51 0.61 -1.58 -0.25 0.00 0.00 175.52 175.58 1h2i s GLN 90 N -3.89 0.42 -0.09 4.72 0.74 -1.19 -4.99 119.66 115.37 1h2i s GLN 90 Ca -0.03 0.29 0.01 0.00 0.05 0.00 0.00 55.36 55.68 1h2i s GLN 90 Cb 0.13 0.20 0.02 0.00 1.10 0.00 0.00 33.01 34.46 1h2i s GLN 90 CO 0.76 -0.09 -0.12 -1.14 -0.55 0.00 0.00 175.29 174.15 1h2i s GLN 91 N -0.42 1.78 -0.09 1.67 0.74 -1.26 -0.45 119.66 121.62 1h2i s GLN 91 Ca 0.03 -0.41 0.02 0.00 0.05 0.00 0.00 55.36 55.05 1h2i s GLN 91 Cb -0.03 -1.57 0.01 0.00 1.10 0.00 0.00 33.01 32.53 1h2i s GLN 91 CO -0.05 -0.07 -0.14 1.21 -0.55 0.00 0.00 175.29 175.69 1h2i s ASN 92 N 1.01 2.25 -0.48 6.67 3.84 0.41 -4.99 114.94 123.65 1h2i s ASN 92 Ca -0.08 -0.38 -0.29 0.00 0.21 0.00 0.00 52.86 52.32 1h2i s ASN 92 Cb -0.15 -1.01 0.03 0.00 -0.55 0.00 0.00 41.25 39.58 1h2i s ASN 92 CO -0.01 0.02 1.12 -0.69 -2.79 0.00 0.00 177.10 174.75 1h2i s VAL 93 N 0.90 4.22 0.21 -5.21 1.01 -1.26 -1.44 120.40 118.83 1h2i s VAL 93 Ca -0.09 1.16 -0.05 0.00 0.00 0.00 0.00 61.98 63.00 1h2i s VAL 93 Cb -0.15 -4.60 0.03 0.00 0.00 0.00 0.00 36.38 31.66 1h2i s VAL 93 CO 0.00 -1.01 1.62 0.44 0.00 0.00 0.00 175.10 176.15 1h2i h ASP 94 N 9.23 0.80 -3.92 3.32 3.45 -0.95 -3.47 116.42 124.89 1h2i h ASP 94 Ca -0.23 -0.29 0.17 0.00 0.43 0.00 0.00 57.03 57.11 1h2i h ASP 94 Cb 1.06 -0.22 -0.23 0.00 -0.56 0.00 0.00 39.33 39.39 1h2i h ASP 94 CO 1.12 1.00 0.72 0.72 -1.57 0.00 0.00 179.24 181.23 1h2i s PHE 95 N -4.60 -0.22 -0.31 4.55 -0.12 -1.17 -4.98 117.98 111.14 1h2i s PHE 95 Ca -0.09 0.30 -0.01 0.00 -0.05 0.00 0.00 56.93 57.07 1h2i s PHE 95 Cb 0.13 0.49 0.10 0.00 -0.63 0.00 0.00 43.02 43.11 1h2i s PHE 95 CO 0.84 -0.24 0.12 0.08 -0.05 0.00 0.00 175.22 175.96 1h2i s VAL 96 N -1.59 0.63 -0.11 -2.49 1.01 -1.26 -2.45 120.40 114.15 1h2i s VAL 96 Ca 0.05 -1.30 -0.04 0.00 0.00 0.00 0.00 61.98 60.68 1h2i s VAL 96 Cb -0.01 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1h2i s VAL 96 CO -0.04 -0.71 0.04 -1.81 0.00 0.00 0.00 175.10 172.58 1h2i s ASP 97 N 1.66 5.51 -0.34 3.32 1.01 0.72 -4.94 116.67 123.62 1h2i s ASP 97 Ca 0.10 0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.52 1h2i s ASP 97 Cb -0.18 -1.67 0.06 0.00 1.01 0.00 0.00 42.92 42.14 1h2i s ASP 97 CO -0.26 0.35 0.08 -0.22 0.21 0.00 0.00 175.17 175.33 1h2i s LEU 98 N -0.71 4.33 0.00 1.23 2.96 -1.26 0.46 118.68 125.68 1h2i s LEU 98 Ca 0.12 -1.38 0.11 0.00 -0.22 0.00 0.00 54.13 52.76 1h2i s LEU 98 Cb -0.12 -1.79 0.17 0.00 0.50 0.00 0.00 46.19 44.96 1h2i s LEU 98 CO 0.02 -0.34 1.01 0.59 -1.32 0.00 0.00 176.35 176.31 1h2i n ASN 99 N 4.69 2.33 0.00 3.68 5.03 -0.87 -4.97 115.26 125.14 1h2i n ASN 99 Ca -0.11 -1.67 0.00 0.00 0.87 0.00 0.00 54.58 53.67 1h2i n ASN 99 Cb 0.43 -0.09 0.00 0.00 -1.02 0.00 0.00 39.78 39.11 1h2i n ASN 99 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.26 174.97 1h2i n ASN 100 N 0.62 0.00 -0.21 6.41 6.94 -1.26 -4.91 115.26 122.85 1h2i n ASN 100 Ca 0.09 0.00 0.02 0.00 -0.02 0.00 0.00 54.58 54.67 1h2i n ASN 100 Cb 0.34 0.00 0.05 0.00 -2.36 0.00 0.00 39.78 37.81 1h2i n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1h2i n GLY 101 N 0.00 2.95 3.60 4.83 0.00 -1.26 -5.02 105.19 110.29 1h2i n GLY 101 Ca 0.00 -0.14 -0.26 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 -1.03 2.17 -0.05 1.61 1.02 -1.26 -4.50 119.74 117.69 1h2i s LYS 102 Ca 0.08 -1.28 -0.01 0.00 0.02 0.00 0.00 55.97 54.77 1h2i s LYS 102 Cb 0.04 -2.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.13 1h2i s LYS 102 CO 0.05 0.42 0.03 -0.06 -0.92 0.00 0.00 175.35 174.87 1h2i s PHE 103 N -1.87 3.21 -0.19 3.18 0.40 0.37 -2.06 117.98 121.02 1h2i s PHE 103 Ca 0.27 0.20 0.01 0.00 -0.60 0.00 0.00 56.93 56.81 1h2i s PHE 103 Cb -0.08 -1.77 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1h2i s PHE 103 CO 0.17 0.51 -0.12 0.71 0.70 0.00 0.00 175.22 177.19 1h2i s TYR 104 N -1.00 2.44 -0.04 0.36 1.51 0.17 -1.70 117.35 119.09 1h2i s TYR 104 Ca 0.17 -1.55 0.03 0.00 -1.01 0.00 0.00 57.07 54.71 1h2i s TYR 104 Cb -0.12 -1.67 0.00 0.00 -0.11 0.00 0.00 41.96 40.06 1h2i s TYR 104 CO 0.07 -0.74 -0.14 0.08 -1.11 0.00 0.00 175.55 173.70 1h2i s VAL 105 N 1.39 1.21 -0.10 0.71 1.01 0.58 -0.20 120.40 125.01 1h2i s VAL 105 Ca 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.41 1h2i s VAL 105 Cb -0.15 -1.06 0.02 0.00 0.00 0.00 0.00 36.38 35.18 1h2i s VAL 105 CO -0.09 0.36 -0.11 -0.83 0.00 0.00 0.00 175.10 174.43 1h2i s GLY 106 N 0.22 0.87 0.04 4.51 0.00 -1.02 -1.89 107.32 110.03 1h2i s GLY 106 Ca -0.06 -0.55 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1h2i s GLY 106 CO 0.02 0.42 -0.13 0.14 0.00 0.00 0.00 173.10 173.56 1h2i s VAL 107 N 1.16 0.99 0.10 1.40 1.01 -0.08 -0.20 120.40 124.79 1h2i s VAL 107 Ca -0.05 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.05 1h2i s VAL 107 Cb -0.14 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.29 1h2i s VAL 107 CO -0.03 -0.04 -0.21 0.00 0.00 0.00 0.00 175.10 174.83 1h2i s ALA 109 N -1.15 0.58 -0.23 0.00 0.00 -0.17 -0.44 121.76 120.35 1h2i s ALA 109 Ca 0.06 -0.45 -0.04 0.00 0.00 0.00 0.00 51.96 51.53 1h2i s ALA 109 Cb -0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 23.12 22.93 1h2i s ALA 109 CO 0.04 0.09 -0.04 -0.06 0.00 0.00 0.00 175.76 175.79 1h2i s PHE 110 N -0.56 2.98 -0.12 0.00 0.40 0.40 -0.28 117.98 120.81 1h2i s PHE 110 Ca -0.01 -1.00 0.03 0.00 -0.60 0.00 0.00 56.93 55.34 1h2i s PHE 110 Cb -0.05 -2.11 0.00 0.00 0.51 0.00 0.00 43.02 41.37 1h2i s PHE 110 CO 0.00 -0.57 -0.22 0.08 0.70 0.00 0.00 175.22 175.21 1h2i s VAL 111 N 1.47 2.14 -0.31 -0.44 1.01 -0.58 -0.45 120.40 123.25 1h2i s VAL 111 Ca 0.05 -0.97 -0.06 0.00 0.00 0.00 0.00 61.98 60.99 1h2i s VAL 111 Cb -0.15 -1.84 0.02 0.00 0.00 0.00 0.00 36.38 34.42 1h2i s VAL 111 CO -0.03 0.55 0.08 -0.60 0.00 0.00 0.00 175.10 175.10 1h2i s ARG 112 N 0.54 2.91 -0.11 2.72 3.52 -0.43 -1.53 118.95 126.58 1h2i s ARG 112 Ca -0.13 -0.97 -0.05 0.00 -0.13 0.00 0.00 55.73 54.44 1h2i s ARG 112 Cb -0.17 -3.37 -0.04 0.00 -1.56 0.00 0.00 34.95 29.82 1h2i s ARG 112 CO 0.04 -0.51 0.08 0.54 -0.81 0.00 0.00 175.30 174.64 1h2i s VAL 113 N 1.45 5.02 0.05 7.11 0.11 0.18 -1.17 120.40 133.15 1h2i s VAL 113 Ca 0.01 0.02 0.04 0.00 -2.93 0.00 0.00 61.98 59.12 1h2i s VAL 113 Cb -0.18 -3.17 -0.02 0.00 -1.53 0.00 0.00 36.38 31.48 1h2i s VAL 113 CO 0.02 0.60 -0.12 -1.58 -3.33 0.00 0.00 175.10 170.70 1h2i s GLN 114 N -0.88 0.74 0.40 1.54 0.74 0.12 -1.49 119.66 120.83 1h2i s GLN 114 Ca 0.14 -0.77 0.03 0.00 0.05 0.00 0.00 55.36 54.81 1h2i s GLN 114 Cb -0.12 -0.68 -0.01 0.00 1.10 0.00 0.00 33.01 33.31 1h2i s GLN 114 CO 0.03 0.16 0.59 -0.51 -0.55 0.00 0.00 175.29 175.00 1h2i s LEU 115 N -1.35 3.79 0.35 3.68 1.02 -0.24 0.17 118.68 126.10 1h2i s LEU 115 Ca -0.03 0.09 0.24 0.00 0.02 0.00 0.00 54.13 54.46 1h2i s LEU 115 Cb -0.09 -2.99 1.27 0.00 0.02 0.00 0.00 46.19 44.40 1h2i s LEU 115 CO 0.01 -0.58 1.74 0.07 0.02 0.00 0.00 176.35 177.61 1h2i h LYS 116 N 0.61 0.00 -0.36 1.70 2.10 -1.61 0.53 116.57 119.54 1h2i h LYS 116 Ca -0.46 0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.09 1h2i h LYS 116 Cb 1.25 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.57 1h2i h LYS 116 CO 0.56 0.00 -0.18 0.22 -2.00 0.00 0.00 179.45 178.05 1h2i h ASP 117 N 0.00 0.67 0.00 7.07 -0.00 -1.83 0.13 116.42 122.45 1h2i h ASP 117 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.03 56.82 1h2i h ASP 117 Cb 0.05 -0.18 0.00 0.00 -0.00 0.00 0.00 39.33 39.20 1h2i h ASP 117 CO 0.00 0.85 0.00 0.61 -0.00 0.00 0.00 179.24 180.70 1h2i n GLY 118 N -0.39 1.42 3.76 -0.78 0.00 0.18 -4.58 105.19 104.78 1h2i n GLY 118 Ca 0.01 0.00 -0.33 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 -1.74 4.75 0.13 1.61 1.04 -1.26 -4.77 113.70 113.46 1h2i s SER 119 Ca 0.00 2.07 -0.24 0.00 0.48 0.00 0.00 55.95 58.25 1h2i s SER 119 Cb 0.00 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.64 1h2i s SER 119 CO 0.00 -1.88 0.69 -0.72 0.98 0.00 0.00 173.24 172.31 1h2i s TYR 120 N -2.34 -0.46 -0.02 5.02 -0.85 -1.26 -1.07 117.35 116.37 1h2i s TYR 120 Ca 0.68 0.24 -0.04 0.00 -0.52 0.00 0.00 57.07 57.43 1h2i s TYR 120 Cb -0.22 0.57 0.00 0.00 0.38 0.00 0.00 41.96 42.69 1h2i s TYR 120 CO 0.44 -0.81 0.10 -1.01 -1.52 0.00 0.00 175.55 172.76 1h2i s HIS 121 N -3.60 -0.02 0.00 -3.49 3.76 -0.55 -5.00 115.29 106.38 1h2i s HIS 121 Ca 0.03 0.06 0.04 0.00 -0.15 0.00 0.00 55.06 55.04 1h2i s HIS 121 Cb -0.01 -0.02 -0.01 0.00 1.11 0.00 0.00 32.58 33.65 1h2i s HIS 121 CO -0.10 -0.14 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.52 1h2i s GLU 122 N -0.55 1.01 0.28 1.40 2.12 -1.26 -0.65 118.70 121.04 1h2i s GLU 122 Ca -0.06 -0.54 -0.07 0.00 0.36 0.00 0.00 54.97 54.65 1h2i s GLU 122 Cb -0.04 -0.99 -0.01 0.00 0.26 0.00 0.00 34.13 33.36 1h2i s GLU 122 CO 0.00 0.26 0.42 0.34 -0.54 0.00 0.00 175.26 175.75 1h2i s ASP 123 N -0.54 0.34 0.04 -1.70 -1.08 -0.58 -4.90 116.67 108.25 1h2i s ASP 123 Ca 0.04 -1.22 -0.02 0.00 -0.52 0.00 0.00 52.55 50.83 1h2i s ASP 123 Cb -0.06 0.59 -0.04 0.00 -1.46 0.00 0.00 42.92 41.95 1h2i s ASP 123 CO -0.00 -1.16 0.22 0.68 0.52 0.00 0.00 175.17 175.43 1h2i s VAL 124 N -3.65 5.38 0.11 1.11 -7.23 -1.26 -1.52 120.40 113.34 1h2i s VAL 124 Ca 0.28 -0.23 0.07 0.00 -1.81 0.00 0.00 61.98 60.30 1h2i s VAL 124 Cb 0.01 -3.59 -0.04 0.00 0.56 0.00 0.00 36.38 33.32 1h2i s VAL 124 CO 0.14 0.21 -0.19 -0.83 -0.31 0.00 0.00 175.10 174.13 1h2i s GLY 125 N -2.24 1.18 0.07 2.32 0.00 0.62 -4.45 107.32 104.82 1h2i s GLY 125 Ca 0.32 -1.25 0.08 0.00 0.00 0.00 0.00 44.72 43.87 1h2i s GLY 125 CO 0.23 -1.27 -0.21 -0.47 0.00 0.00 0.00 173.10 171.39 1h2i s TYR 126 N -1.42 1.82 -0.05 1.90 5.04 -1.26 -1.00 117.35 122.38 1h2i s TYR 126 Ca 0.07 -0.39 0.04 0.00 -2.44 0.00 0.00 57.07 54.35 1h2i s TYR 126 Cb -0.09 -1.05 -0.00 0.00 0.35 0.00 0.00 41.96 41.17 1h2i s TYR 126 CO 0.04 0.14 -0.17 0.20 -1.34 0.00 0.00 175.55 174.42 1h2i s GLY 127 N -1.44 0.93 0.02 8.97 0.00 0.17 -3.89 107.32 112.07 1h2i s GLY 127 Ca 0.07 -0.67 0.04 0.00 0.00 0.00 0.00 44.72 44.17 1h2i s GLY 127 CO 0.03 -0.29 -0.14 0.14 0.00 0.00 0.00 173.10 172.84 1h2i s VAL 128 N 0.13 1.07 -0.16 1.40 1.01 -1.26 -0.90 120.40 121.69 1h2i s VAL 128 Ca -0.06 -0.81 -0.04 0.00 0.00 0.00 0.00 61.98 61.07 1h2i s VAL 128 Cb -0.12 -0.94 0.08 0.00 0.00 0.00 0.00 36.38 35.39 1h2i s VAL 128 CO 0.03 0.12 0.21 -0.55 0.00 0.00 0.00 175.10 174.92 1h2i s SER 129 N -0.78 1.05 -0.08 3.32 0.15 -0.79 -4.54 113.70 112.02 1h2i s SER 129 Ca 0.03 0.06 0.02 0.00 0.70 0.00 0.00 55.95 56.75 1h2i s SER 129 Cb -0.07 0.41 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 1h2i s SER 129 CO 0.00 -0.29 -0.11 -1.61 1.20 0.00 0.00 173.24 172.43 1h2i s GLU 130 N 2.33 1.65 0.00 5.44 2.02 -1.26 -0.31 118.70 128.58 1h2i s GLU 130 Ca 0.05 -0.37 0.00 0.00 0.02 0.00 0.00 54.97 54.67 1h2i s GLU 130 Cb -0.14 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.64 1h2i s GLU 130 CO -0.10 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.54 1h2i n GLY 131 N 4.11 2.90 3.77 -1.39 0.00 -0.69 -5.01 105.19 108.88 1h2i n GLY 131 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 3.17 0.00 0.99 1.43 -1.26 -4.60 118.68 118.41 1h2i s LEU 132 Ca 0.00 1.90 0.22 0.00 -1.03 0.00 0.00 54.13 55.22 1h2i s LEU 132 Cb 0.00 -4.53 -0.10 0.00 0.03 0.00 0.00 46.19 41.59 1h2i s LEU 132 CO 0.00 -1.90 1.00 0.29 0.23 0.00 0.00 176.35 175.97 1h2i n LYS 133 N -3.10 0.18 -3.31 1.70 5.02 -1.26 -0.48 118.16 116.91 1h2i n LYS 133 Ca 0.10 -0.14 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 1h2i n LYS 133 Cb 0.53 -1.50 -0.08 0.00 -0.02 0.00 0.00 35.03 33.96 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 -2.92 6.40 0.00 4.39 0.15 -1.26 -4.82 113.70 115.65 1h2i s SER 134 Ca 0.10 0.48 -0.25 0.00 0.70 0.00 0.00 55.95 56.98 1h2i s SER 134 Cb 0.17 -2.25 -0.19 0.00 -1.71 0.00 0.00 66.02 62.04 1h2i s SER 134 CO 0.80 -0.20 1.34 0.50 1.20 0.00 0.00 173.24 176.88 1h2i h LYS 135 N 7.85 -0.07 -0.07 5.44 3.64 -1.98 -1.59 116.57 129.79 1h2i h LYS 135 Ca -0.32 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.11 1h2i h LYS 135 Cb 1.15 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1h2i h LYS 135 CO 0.70 0.29 -0.30 0.00 -2.27 0.00 0.00 179.45 177.87 1h2i h ALA 136 N 0.46 -0.38 -0.20 5.00 0.00 -1.99 0.16 119.26 122.30 1h2i h ALA 136 Ca -0.01 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 1h2i h ALA 136 Cb 0.40 0.56 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 1h2i h ALA 136 CO 0.01 -0.79 0.05 -0.07 0.00 0.00 0.00 179.25 178.45 1h2i h LEU 137 N -0.41 0.25 -0.13 0.00 -0.00 -1.97 -0.06 115.31 112.98 1h2i h LEU 137 Ca 0.08 -0.02 -0.07 0.00 -0.00 0.00 0.00 57.88 57.86 1h2i h LEU 137 Cb 0.53 -0.06 -0.00 0.00 -0.00 0.00 0.00 40.66 41.13 1h2i h LEU 137 CO -0.30 0.26 -0.20 0.28 -0.00 0.00 0.00 178.44 178.48 1h2i h SER 138 N 0.28 0.41 -0.29 -0.43 0.02 -0.21 -1.98 113.55 111.35 1h2i h SER 138 Ca 0.07 -0.53 -0.00 0.00 -0.84 0.00 0.00 61.79 60.49 1h2i h SER 138 Cb 0.12 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.53 1h2i h SER 138 CO -0.00 0.86 0.17 -0.07 -1.14 0.00 0.00 176.83 176.65 1h2i h LEU 139 N -0.03 0.36 -0.33 5.07 -0.00 -0.31 -1.54 115.31 118.53 1h2i h LEU 139 Ca 0.01 -0.06 0.04 0.00 -0.00 0.00 0.00 57.88 57.87 1h2i h LEU 139 Cb 0.77 -0.09 -0.04 0.00 -0.00 0.00 0.00 40.66 41.30 1h2i h LEU 139 CO 0.05 0.32 0.10 -0.08 -0.00 0.00 0.00 178.44 178.82 1h2i h GLU 140 N 0.37 0.22 -0.20 1.13 4.81 -1.03 0.00 114.58 119.88 1h2i h GLU 140 Ca 0.10 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 1h2i h GLU 140 Cb 0.03 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1h2i h GLU 140 CO -0.02 0.15 0.11 -0.22 -0.73 0.00 0.00 179.01 178.30 1h2i h LYS 141 N 0.23 0.28 -0.48 1.92 3.64 -1.15 -2.12 116.57 118.88 1h2i h LYS 141 Ca 0.15 -0.03 -0.12 0.00 -1.27 0.00 0.00 60.65 59.38 1h2i h LYS 141 Cb 0.14 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.89 1h2i h LYS 141 CO -0.17 0.26 -0.18 0.00 -2.27 0.00 0.00 179.45 177.09 1h2i h ALA 142 N 1.01 0.67 -0.15 5.00 0.00 -1.07 -1.75 119.26 122.98 1h2i h ALA 142 Ca 0.07 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1h2i h ALA 142 Cb 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1h2i h ALA 142 CO -0.01 0.64 0.06 0.00 0.00 0.00 0.00 179.25 179.93 1h2i h ARG 143 N 0.83 0.22 -0.45 0.00 3.08 -0.96 -1.87 114.38 115.23 1h2i h ARG 143 Ca 0.11 -0.04 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1h2i h ARG 143 Cb 0.76 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.75 1h2i h ARG 143 CO 0.06 0.31 0.23 0.87 -1.07 0.00 0.00 179.97 180.37 1h2i h LYS 144 N 0.08 0.64 -0.12 0.04 1.57 -1.37 -2.70 116.57 114.71 1h2i h LYS 144 Ca 0.05 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1h2i h LYS 144 Cb 0.18 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1h2i h LYS 144 CO -0.00 0.54 -0.30 0.93 -0.57 0.00 0.00 179.45 180.04 1h2i h GLU 145 N 0.59 0.23 -0.54 3.15 5.08 -1.28 -2.39 114.58 119.41 1h2i h GLU 145 Ca 0.16 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1h2i h GLU 145 Cb 0.10 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1h2i h GLU 145 CO -0.02 0.51 0.31 0.00 -1.00 0.00 0.00 179.01 178.81 1h2i h ALA 146 N 1.49 0.69 0.25 3.43 0.00 -1.03 0.21 119.26 124.30 1h2i h ALA 146 Ca 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1h2i h ALA 146 Cb 0.64 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1h2i h ALA 146 CO 0.05 0.20 -0.12 0.28 0.00 0.00 0.00 179.25 179.65 1h2i h VAL 147 N 0.73 0.79 -0.65 0.00 2.07 -1.18 -0.06 116.25 117.95 1h2i h VAL 147 Ca 0.19 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 1h2i h VAL 147 Cb 0.02 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1h2i h VAL 147 CO -0.03 0.05 0.23 0.74 0.02 0.00 0.00 177.57 178.57 1h2i h THR 148 N -0.44 1.23 -0.59 2.57 2.02 -1.30 0.17 112.91 116.56 1h2i h THR 148 Ca -0.03 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.30 1h2i h THR 148 Cb 0.34 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.21 1h2i h THR 148 CO 0.06 0.30 0.07 -0.78 0.37 0.00 0.00 175.52 175.54 1h2i h ASP 149 N 0.94 0.97 -0.49 4.18 -0.00 -0.48 -0.51 116.42 121.03 1h2i h ASP 149 Ca 0.22 -0.27 -0.10 0.00 -0.00 0.00 0.00 57.03 56.88 1h2i h ASP 149 Cb 0.23 -0.26 -0.02 0.00 -0.00 0.00 0.00 39.33 39.28 1h2i h ASP 149 CO -0.01 1.00 -0.07 1.23 -0.00 0.00 0.00 179.24 181.38 1h2i h GLY 150 N 0.90 0.99 0.95 -0.78 0.00 -0.34 -1.19 103.07 103.61 1h2i h GLY 150 Ca 0.18 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.73 1h2i h GLY 150 CO 0.02 0.72 0.32 -2.00 0.00 0.00 0.00 176.54 175.60 1h2i h LEU 151 N 0.77 0.54 -0.38 3.11 5.85 -0.36 0.50 115.31 125.33 1h2i h LEU 151 Ca 0.13 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.82 1h2i h LEU 151 Cb 0.61 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 1h2i h LEU 151 CO 0.04 0.39 0.16 0.11 -0.34 0.00 0.00 178.44 178.80 1h2i h LYS 152 N 0.65 0.56 -0.46 1.25 1.57 -0.93 -1.62 116.57 117.59 1h2i h LYS 152 Ca 0.19 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 58.80 1h2i h LYS 152 Cb -0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1h2i h LYS 152 CO -0.06 0.53 -0.01 0.00 -0.57 0.00 0.00 179.45 179.33 1h2i h ARG 153 N 0.47 0.76 0.42 3.15 3.08 -0.87 -1.93 114.38 119.47 1h2i h ARG 153 Ca 0.13 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.95 1h2i h ARG 153 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1h2i h ARG 153 CO -0.01 0.78 -0.21 0.00 -1.07 0.00 0.00 179.97 179.46 1h2i h ALA 154 N 1.28 -0.57 -0.82 0.04 0.00 -0.69 -2.90 119.26 115.60 1h2i h ALA 154 Ca 0.14 -0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.09 1h2i h ALA 154 Cb 0.45 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.41 1h2i h ALA 154 CO 0.02 -0.82 0.54 -0.07 0.00 0.00 0.00 179.25 178.92 1h2i h LEU 155 N -0.57 0.43 -1.49 0.00 -0.00 -1.07 -1.89 115.31 110.71 1h2i h LEU 155 Ca -0.06 0.03 0.15 0.00 -0.00 0.00 0.00 57.88 58.00 1h2i h LEU 155 Cb 0.44 -0.05 -0.06 0.00 -0.00 0.00 0.00 40.66 40.99 1h2i h LEU 155 CO 0.09 0.21 0.53 0.03 -0.00 0.00 0.00 178.44 179.30 1h2i h ARG 156 N 0.45 0.48 -0.17 1.13 3.08 -1.13 -1.72 114.38 116.49 1h2i h ARG 156 Ca 0.41 -0.03 0.05 0.00 0.07 0.00 0.00 59.98 60.48 1h2i h ARG 156 Cb 0.93 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.87 1h2i h ARG 156 CO -0.15 0.32 0.33 0.77 -1.07 0.00 0.00 179.97 180.17 1h2i h SER 157 N 0.50 0.00 1.43 7.04 0.02 -1.43 -1.53 113.55 119.58 1h2i h SER 157 Ca 0.40 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.31 1h2i h SER 157 Cb 0.82 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 1h2i h SER 157 CO -0.15 0.00 -0.18 -0.26 -1.14 0.00 0.00 176.83 175.11 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.50 -3.49 116.94 114.39 1h2i h PHE 158 Ca 0.08 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.86 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 0.18 0.00 0.41 -1.61 0.00 0.00 178.31 177.29 1h2i n GLY 159 N 0.69 0.74 0.23 -1.45 0.00 -0.57 -4.95 105.19 99.88 1h2i n GLY 159 Ca 0.02 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.46 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 0.53 0.00 1.61 2.35 -1.51 -1.29 115.58 117.26 1h2i h ASN 160 Ca 0.00 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1h2i h ASN 160 Cb 0.00 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.28 1h2i h ASN 160 CO 0.00 0.36 0.01 0.00 -1.65 0.00 0.00 177.43 176.15 1h2i n ALA 161 N -2.31 1.02 -0.43 -0.83 0.00 0.53 -0.70 120.51 117.79 1h2i n ALA 161 Ca 0.06 0.18 0.06 0.00 0.00 0.00 0.00 53.44 53.74 1h2i n ALA 161 Cb 0.11 -1.26 0.18 0.00 0.00 0.00 0.00 19.45 18.48 1h2i n ALA 161 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1h2i n LEU 162 N -2.17 3.15 0.00 0.00 7.99 -0.56 -4.94 117.00 120.47 1h2i n LEU 162 Ca -0.01 -2.33 0.00 0.00 -0.01 0.00 0.00 56.01 53.66 1h2i n LEU 162 Cb 0.04 -0.32 0.00 0.00 -0.11 0.00 0.00 43.42 43.04 1h2i n LEU 162 CO 0.08 0.70 0.00 0.61 -1.51 0.00 0.00 177.39 177.27 1h2i n GLY 163 N 0.11 1.52 0.21 -0.72 0.00 0.13 -3.88 105.19 102.55 1h2i n GLY 163 Ca 0.14 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.01 1.61 -0.00 -1.32 -1.82 115.58 114.03 1h2i h ASN 164 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.04 1h2i h ASN 164 Cb 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 38.32 38.34 1h2i h ASN 164 CO 0.00 0.00 -1.02 0.00 -0.00 0.00 0.00 177.43 176.41 1h2i n ILE 166 N -3.86 0.00 -0.13 0.00 0.00 -0.69 0.12 119.36 114.80 1h2i n ILE 166 Ca -0.11 0.73 0.04 0.00 0.00 0.00 0.00 62.75 63.41 1h2i n ILE 166 Cb 0.87 -1.26 0.10 0.00 0.00 0.00 0.00 39.64 39.36 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 -2.64 2.61 -4.53 9.51 -0.00 -1.26 -4.91 117.00 115.78 1h2i n LEU 167 Ca 0.18 -2.02 -0.42 0.00 -0.00 0.00 0.00 56.01 53.74 1h2i n LEU 167 Cb 0.94 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 44.17 1h2i n LEU 167 CO 0.18 0.65 0.92 -0.62 -0.00 0.00 0.00 177.39 178.51 1h2i s ASP 168 N -1.03 6.31 0.45 1.45 3.68 0.33 -4.93 116.67 122.92 1h2i s ASP 168 Ca 0.15 -0.34 0.22 0.00 2.13 0.00 0.00 52.55 54.72 1h2i s ASP 168 Cb 0.08 -2.49 1.21 0.00 -1.45 0.00 0.00 42.92 40.27 1h2i s ASP 168 CO 0.10 -1.44 1.83 0.11 0.13 0.00 0.00 175.17 175.90 1h2i h LYS 169 N 9.54 0.28 -0.02 4.34 1.57 -1.91 -0.10 116.57 130.28 1h2i h LYS 169 Ca -0.27 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.38 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 1.16 0.19 -0.52 -0.44 -0.57 0.00 0.00 179.45 179.27 1h2i h ASP 170 N 0.29 0.06 -0.04 0.86 3.32 -1.96 -0.64 116.42 118.32 1h2i h ASP 170 Ca 0.51 -0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.49 1h2i h ASP 170 Cb 1.48 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 41.02 1h2i h ASP 170 CO -0.17 0.57 -0.14 0.22 -1.72 0.00 0.00 179.24 178.01 1h2i h TYR 171 N 0.05 0.21 -0.42 4.55 3.20 -1.39 -2.26 116.97 120.91 1h2i h TYR 171 Ca -0.00 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 61.81 1h2i h TYR 171 Cb 0.94 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 39.14 1h2i h TYR 171 CO 0.00 0.77 0.20 -0.07 -1.64 0.00 0.00 178.16 177.43 1h2i h LEU 172 N -0.41 0.29 0.04 2.82 3.38 -1.19 -0.82 115.31 119.42 1h2i h LEU 172 Ca -0.01 0.02 0.03 0.00 0.09 0.00 0.00 57.88 58.01 1h2i h LEU 172 Cb 0.78 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.47 1h2i h LEU 172 CO 0.03 0.21 -0.23 -0.09 0.09 0.00 0.00 178.44 178.44 1h2i h ARG 173 N 0.41 -0.37 0.00 1.13 2.43 -1.15 -0.94 114.38 115.89 1h2i h ARG 173 Ca 0.18 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 1h2i h ARG 173 Cb 0.10 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 1h2i h ARG 173 CO -0.13 -0.25 0.00 -1.13 -1.51 0.00 0.00 179.97 176.95 1h2i n SER 174 N -5.36 0.00 0.07 -3.80 3.41 -0.85 -1.87 113.62 105.22 1h2i n SER 174 Ca -0.05 0.35 -0.16 0.00 -0.26 0.00 0.00 58.87 58.74 1h2i n SER 174 Cb 0.27 -0.43 -0.14 0.00 -0.26 0.00 0.00 64.21 63.65 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 0.36 -1.21 1.04 3.38 0.18 -3.31 115.31 115.76 1h2i h LEU 175 Ca 0.00 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.44 1h2i h LEU 175 Cb 0.23 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1h2i h LEU 175 CO 0.00 1.39 -0.09 0.78 0.09 0.00 0.00 178.44 180.61 1h2i h ASN 176 N 0.06 0.42 0.00 -0.43 2.35 -0.62 -2.45 115.58 114.91 1h2i h ASN 176 Ca -0.21 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.45 1h2i h ASN 176 Cb 1.99 -0.11 0.00 0.00 0.05 0.00 0.00 38.32 40.25 1h2i h ASN 176 CO 0.17 0.55 0.00 0.29 -1.65 0.00 0.00 177.43 176.78 1h2i n LYS 177 N -4.24 0.78 -5.05 0.81 5.02 -1.16 -4.66 118.16 109.65 1h2i n LYS 177 Ca 0.01 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 1h2i n LYS 177 Cb 0.29 -1.25 -0.15 0.00 -0.02 0.00 0.00 35.03 33.90 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 2.35 0.22 -0.35 1.43 -0.92 -5.08 118.68 116.32 1h2i s LEU 178 Ca 0.00 -0.40 -0.31 0.00 -1.03 0.00 0.00 54.13 52.39 1h2i s LEU 178 Cb 0.00 -1.42 -0.11 0.00 0.03 0.00 0.00 46.19 44.69 1h2i s LEU 178 CO 0.00 0.31 1.61 -2.84 0.23 0.00 0.00 176.35 175.66 1h2i s PRO 179 N -0.83 4.17 0.18 1.29 0.02 -1.26 -4.87 135.00 133.69 1h2i s PRO 179 Ca 0.11 2.50 -0.33 0.00 0.02 0.00 0.00 61.00 63.30 1h2i s PRO 179 Cb -0.10 -3.09 -0.15 0.00 0.02 0.00 0.00 34.50 31.18 1h2i s PRO 179 CO 0.01 -0.64 1.25 2.89 -0.33 0.00 0.00 177.00 180.18 1h2i n ARG 180 N 3.31 1.40 -4.08 5.54 1.85 -1.26 -4.92 116.66 118.50 1h2i n ARG 180 Ca 0.12 0.50 -0.35 0.00 -1.00 0.00 0.00 57.85 57.13 1h2i n ARG 180 Cb 0.37 -2.06 -0.11 0.00 -1.05 0.00 0.00 32.46 29.62 1h2i n ARG 180 CO 0.00 0.00 0.00 1.14 -0.01 0.00 0.00 177.63 178.76 1h2i s GLN 181 N -0.26 3.85 0.57 2.89 1.03 -1.26 -5.09 119.66 121.40 1h2i s GLN 181 Ca 0.73 -0.41 -0.20 0.00 0.04 0.00 0.00 55.36 55.52 1h2i s GLN 181 Cb -0.81 -3.15 -0.04 0.00 0.03 0.00 0.00 33.01 29.04 1h2i s GLN 181 CO 0.51 0.21 1.25 1.47 -2.54 0.00 0.00 175.29 176.18 1h2i n LEU 182 N 3.71 5.14 -4.59 2.60 -0.00 -1.26 -4.87 117.00 117.74 1h2i n LEU 182 Ca -0.17 0.91 -0.42 0.00 -0.00 0.00 0.00 56.01 56.34 1h2i n LEU 182 Cb 0.52 -1.52 -0.03 0.00 -0.00 0.00 0.00 43.42 42.39 1h2i n LEU 182 CO 0.34 -0.98 1.64 -2.16 -0.00 0.00 0.00 177.39 176.23 1h2i s PRO 183 N -2.93 3.08 0.79 1.47 0.04 -1.26 -4.95 135.00 131.24 1h2i s PRO 183 Ca 0.75 1.38 -0.13 0.00 0.04 0.00 0.00 61.00 63.04 1h2i s PRO 183 Cb -0.42 -4.29 0.07 0.00 0.04 0.00 0.00 34.50 29.91 1h2i s PRO 183 CO 0.47 -2.17 1.18 -1.17 0.04 0.00 0.00 177.00 175.35 1h2i s LEU 184 N 7.94 3.14 0.32 -3.56 0.20 -1.26 -4.99 118.68 120.47 1h2i s LEU 184 Ca 0.82 2.25 -0.18 0.00 0.69 0.00 0.00 54.13 57.71 1h2i s LEU 184 Cb -0.22 -4.58 -0.09 0.00 -0.43 0.00 0.00 46.19 40.87 1h2i s LEU 184 CO 0.31 -2.51 0.79 -1.61 -0.29 0.00 0.00 176.35 173.05 1h2i s GLU 185 N -4.24 4.16 -0.21 1.98 0.41 -1.26 -5.05 118.70 114.49 1h2i s GLU 185 Ca 0.71 0.86 -0.08 0.00 -0.41 0.00 0.00 54.97 56.05 1h2i s GLU 185 Cb -0.26 -2.52 -0.04 0.00 -1.78 0.00 0.00 34.13 29.53 1h2i s GLU 185 CO 0.50 0.19 0.09 0.08 -0.49 0.00 0.00 175.26 175.63 1h2i s VAL 186 N -1.88 4.79 -0.57 2.63 1.01 -1.26 -5.05 120.40 120.07 1h2i s VAL 186 Ca 0.53 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 62.28 1h2i s VAL 186 Cb -0.12 -3.19 0.08 0.00 0.00 0.00 0.00 36.38 33.14 1h2i s VAL 186 CO 0.18 0.40 0.73 -0.62 0.00 0.00 0.00 175.10 175.80 1h2i s ASP 187 N 0.83 6.21 0.00 3.32 3.68 -1.26 -4.92 116.67 124.54 1h2i s ASP 187 Ca 0.04 -1.07 0.00 0.00 2.13 0.00 0.00 52.55 53.65 1h2i s ASP 187 Cb -0.13 -2.33 0.00 0.00 -1.45 0.00 0.00 42.92 39.01 1h2i s ASP 187 CO 0.02 -1.09 0.92 0.18 0.13 0.00 0.00 175.17 175.34 1h2i n LEU 188 N 6.58 0.11 -0.20 -1.34 4.77 -1.26 -4.27 117.00 121.38 1h2i n LEU 188 Ca -0.07 -0.05 -0.04 0.00 -0.03 0.00 0.00 56.01 55.82 1h2i n LEU 188 Cb 0.44 -0.05 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1h2i n LEU 188 CO 0.58 0.03 0.65 0.74 -1.33 0.00 0.00 177.39 178.05 1h2i h THR 189 N 0.00 0.20 -1.00 -5.08 2.02 -2.05 -1.59 112.91 105.41 1h2i h THR 189 Ca 0.00 0.00 -0.62 0.00 0.77 0.00 0.00 66.41 66.56 1h2i h THR 189 Cb 0.05 0.20 -0.30 0.00 -1.74 0.00 0.00 68.15 66.36 1h2i h THR 189 CO 0.00 0.00 0.79 0.29 0.37 0.00 0.00 175.52 176.97 1h2i n LYS 190 N -5.44 2.51 -0.69 6.66 5.02 -1.26 -5.01 118.16 119.95 1h2i n LYS 190 Ca 0.05 -3.17 -0.29 0.00 -2.02 0.00 0.00 58.31 52.87 1h2i n LYS 190 Cb 0.35 -2.24 0.21 0.00 -0.02 0.00 0.00 35.03 33.33 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 -3.61 0.38 -0.21 7.82 0.00 -0.60 -4.97 121.76 120.57 1h2i s ALA 191 Ca 0.62 0.08 -0.18 0.00 0.00 0.00 0.00 51.96 52.48 1h2i s ALA 191 Cb 0.50 -3.30 -0.03 0.00 0.00 0.00 0.00 23.12 20.29 1h2i s ALA 191 CO 0.04 -3.32 0.51 0.21 0.00 0.00 0.00 175.76 173.20 1h2i s LYS 192 N -4.59 4.18 0.00 0.00 2.20 -1.26 -4.93 119.74 115.33 1h2i s LYS 192 Ca 0.67 0.39 0.00 0.00 -0.36 0.00 0.00 55.97 56.68 1h2i s LYS 192 Cb -0.23 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.52 1h2i s LYS 192 CO 0.61 -0.16 0.54 0.54 -0.36 0.00 0.00 175.35 176.52 1h2i n ARG 193 N 4.84 -0.76 -3.88 4.03 1.74 -1.26 -5.03 116.66 116.34 1h2i n ARG 193 Ca -0.05 -0.57 -0.10 0.00 -0.77 0.00 0.00 57.85 56.36 1h2i n ARG 193 Cb 0.50 -1.01 -0.09 0.00 -1.02 0.00 0.00 32.46 30.85 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 -0.08 0.65 0.02 5.56 -0.21 -1.26 -5.09 119.66 119.26 1h2i s GLN 194 Ca 0.01 -0.70 -0.25 0.00 0.02 0.00 0.00 55.36 54.43 1h2i s GLN 194 Cb 0.00 0.26 -0.18 0.00 1.00 0.00 0.00 33.01 34.10 1h2i s GLN 194 CO 0.01 -0.18 1.44 -0.44 -2.12 0.00 0.00 175.29 174.00 1h2i h ASP 195 N 3.51 -0.04 -1.98 5.90 3.45 -2.05 -3.46 116.42 121.74 1h2i h ASP 195 Ca -0.32 -0.27 -0.64 0.00 0.43 0.00 0.00 57.03 56.23 1h2i h ASP 195 Cb 1.19 0.01 0.10 0.00 -0.56 0.00 0.00 39.33 40.07 1h2i h ASP 195 CO 0.50 0.25 0.04 -0.11 -1.57 0.00 0.00 179.24 178.35 1h2i n LEU 196 N -4.98 1.08 -3.58 1.55 -0.00 -1.26 -4.98 117.00 104.83 1h2i n LEU 196 Ca -0.08 1.16 -0.29 0.00 -0.00 0.00 0.00 56.01 56.80 1h2i n LEU 196 Cb 0.17 -1.19 -0.12 0.00 -0.00 0.00 0.00 43.42 42.28 1h2i n LEU 196 CO 0.33 -1.69 -0.26 -1.61 -0.00 0.00 0.00 177.39 174.16 1h2i s GLU 197 N -1.05 1.09 0.31 1.96 0.41 -1.26 -5.03 118.70 115.14 1h2i s GLU 197 Ca 0.65 -1.97 0.07 0.00 -0.41 0.00 0.00 54.97 53.31 1h2i s GLU 197 Cb -0.81 -1.91 0.84 0.00 -1.78 0.00 0.00 34.13 30.48 1h2i s GLU 197 CO 0.57 -1.25 1.70 -1.35 -0.49 0.00 0.00 175.26 174.44 1h2i h PRO 198 N 6.40 0.42 -0.27 0.39 0.11 -1.98 -0.32 132.00 136.75 1h2i h PRO 198 Ca 0.10 -0.03 -0.06 0.00 0.11 0.00 0.00 66.00 66.12 1h2i h PRO 198 Cb 0.92 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 1h2i h PRO 198 CO 0.41 0.28 -0.09 0.66 -0.21 0.00 0.00 178.00 179.06 1h2i h SER 199 N 0.44 0.54 -0.20 -2.05 4.64 -1.99 -1.90 113.55 113.03 1h2i h SER 199 Ca 0.62 -0.38 -0.01 0.00 -0.47 0.00 0.00 61.79 61.55 1h2i h SER 199 Cb 1.23 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 63.16 1h2i h SER 199 CO -0.53 0.80 0.09 0.58 -0.87 0.00 0.00 176.83 176.89 1h2i h VAL 200 N 0.27 1.14 0.00 0.95 2.07 -1.80 -0.31 116.25 118.58 1h2i h VAL 200 Ca 0.06 -0.42 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1h2i h VAL 200 Cb 0.57 1.05 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1h2i h VAL 200 CO 0.03 0.14 -0.01 -0.08 0.02 0.00 0.00 177.57 177.67 1h2i h GLU 201 N 0.18 0.00 0.16 1.57 4.57 -0.99 0.46 114.58 120.53 1h2i h GLU 201 Ca 0.07 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.24 1h2i h GLU 201 Cb 0.14 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.73 1h2i h GLU 201 CO -0.01 0.01 -0.08 1.49 -1.18 0.00 0.00 179.01 179.24 1h2i h GLU 202 N 0.00 -0.21 -1.01 1.92 4.81 -0.50 -2.12 114.58 117.47 1h2i h GLU 202 Ca -0.00 0.01 0.24 0.00 -0.13 0.00 0.00 59.36 59.48 1h2i h GLU 202 Cb 0.03 0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.36 1h2i h GLU 202 CO 0.00 0.02 0.63 0.00 -0.73 0.00 0.00 179.01 178.94 1h2i h ALA 203 N -0.82 2.00 0.62 2.92 0.00 -0.75 -1.83 119.26 121.41 1h2i h ALA 203 Ca -0.02 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1h2i h ALA 203 Cb 0.33 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.11 1h2i h ALA 203 CO 0.04 -0.40 -0.30 -0.09 0.00 0.00 0.00 179.25 178.50 1h2i h ARG 204 N 0.53 -0.80 -1.00 0.00 2.43 -0.93 -2.41 114.38 112.20 1h2i h ARG 204 Ca 0.59 0.05 0.21 0.00 -0.81 0.00 0.00 59.98 60.02 1h2i h ARG 204 Cb 1.26 0.18 -0.11 0.00 -0.42 0.00 0.00 29.97 30.88 1h2i h ARG 204 CO -0.34 -0.52 0.61 -0.92 -1.51 0.00 0.00 179.97 177.29 1h2i h TYR 205 N -1.21 1.01 0.00 2.20 3.20 -1.05 0.13 116.97 121.25 1h2i h TYR 205 Ca -0.09 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1h2i h TYR 205 Cb 0.65 -0.30 0.00 0.00 1.54 0.00 0.00 36.73 38.62 1h2i h TYR 205 CO 0.00 0.18 0.00 0.09 -1.64 0.00 0.00 178.16 176.79 1h2i n ASN 206 N -4.78 0.62 0.11 -2.11 3.02 -0.72 -2.96 115.26 108.45 1h2i n ASN 206 Ca 0.24 0.62 -0.02 0.00 -0.03 0.00 0.00 54.58 55.39 1h2i n ASN 206 Cb 0.64 -0.76 0.08 0.00 -0.61 0.00 0.00 39.78 39.13 1h2i n ASN 206 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1h2i h SER 207 N 0.00 0.00 0.18 6.41 4.64 -0.21 -2.92 113.55 121.65 1h2i h SER 207 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1h2i h SER 207 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 1h2i h SER 207 CO 0.00 0.72 0.00 0.00 -0.87 0.00 0.00 176.83 176.68