#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 -3.18 2.47 0.00 0.00 7.35 -1.26 -1.51 117.46 121.33 1h2i n PHE 26 Ca 0.11 0.35 0.00 0.00 -0.76 0.00 0.00 57.45 57.15 1h2i n PHE 26 Cb 0.38 -2.52 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 2.19 1.26 0.01 7.13 0.00 0.35 -4.86 105.19 111.28 1h2i n GLY 27 Ca 0.10 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 2.46 -2.15 1.61 6.02 -0.57 -4.01 117.38 118.74 1h2i n GLN 28 Ca 0.00 -1.47 -0.27 0.00 -0.01 0.00 0.00 57.00 55.25 1h2i n GLN 28 Cb 0.00 -0.98 0.06 0.00 1.02 0.00 0.00 30.24 30.34 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 0.59 0.39 0.00 0.74 -1.26 -4.31 119.66 110.55 1h2i s GLN 30 Ca 0.59 -0.08 -0.26 0.00 0.05 0.00 0.00 55.36 55.66 1h2i s GLN 30 Cb -0.11 -0.64 -0.09 0.00 1.10 0.00 0.00 33.01 33.28 1h2i s GLN 30 CO 0.46 -0.04 1.20 0.71 -0.55 0.00 0.00 175.29 177.07 1h2i s TYR 31 N 0.66 3.03 0.53 1.67 1.51 -1.26 -5.00 117.35 118.49 1h2i s TYR 31 Ca -0.08 1.52 -0.16 0.00 -1.01 0.00 0.00 57.07 57.34 1h2i s TYR 31 Cb -0.11 -3.46 -0.07 0.00 -0.11 0.00 0.00 41.96 38.21 1h2i s TYR 31 CO -0.00 -1.49 1.00 0.95 -1.11 0.00 0.00 175.55 174.90 1h2i s THR 32 N -1.36 4.38 0.28 -0.71 -4.23 -1.26 -4.82 115.64 107.92 1h2i s THR 32 Ca 0.56 1.13 0.02 0.00 -1.18 0.00 0.00 61.69 62.22 1h2i s THR 32 Cb -0.33 -3.65 0.28 0.00 1.34 0.00 0.00 72.50 70.15 1h2i s THR 32 CO 0.41 -0.66 1.83 0.00 -0.54 0.00 0.00 174.62 175.66 1h2i h ALA 33 N 0.79 1.52 0.02 3.99 0.00 -1.99 0.86 119.26 124.46 1h2i h ALA 33 Ca -0.47 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.47 1h2i h ALA 33 Cb 1.19 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1h2i h ALA 33 CO 0.61 0.18 -0.01 1.49 0.00 0.00 0.00 179.25 181.52 1h2i h GLU 34 N 0.95 -0.03 -0.32 0.00 4.81 -1.99 -0.86 114.58 117.15 1h2i h GLU 34 Ca 0.51 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.67 1h2i h GLU 34 Cb 0.54 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.92 1h2i h GLU 34 CO -0.28 0.18 -0.06 1.49 -0.73 0.00 0.00 179.01 179.62 1h2i h GLU 35 N -0.24 0.60 -0.23 1.92 4.81 -1.82 -1.93 114.58 117.70 1h2i h GLU 35 Ca -0.00 -0.22 0.06 0.00 -0.13 0.00 0.00 59.36 59.07 1h2i h GLU 35 Cb 0.23 -0.04 -0.07 0.00 0.63 0.00 0.00 28.75 29.50 1h2i h GLU 35 CO 0.00 0.77 -0.27 -0.92 -0.73 0.00 0.00 179.01 177.86 1h2i h TYR 36 N 0.38 -0.73 -0.77 0.92 3.20 -0.83 -1.10 116.97 118.03 1h2i h TYR 36 Ca 0.08 0.04 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1h2i h TYR 36 Cb 0.54 0.36 -0.04 0.00 1.54 0.00 0.00 36.73 39.12 1h2i h TYR 36 CO 0.05 -0.35 0.49 0.37 -1.64 0.00 0.00 178.16 177.08 1h2i h GLN 37 N -0.29 0.95 -0.52 1.82 4.15 -1.06 0.74 115.11 120.90 1h2i h GLN 37 Ca 0.13 -0.06 -0.03 0.00 0.77 0.00 0.00 58.65 59.46 1h2i h GLN 37 Cb 0.49 -0.21 -0.02 0.00 0.21 0.00 0.00 27.48 27.94 1h2i h GLN 37 CO -0.39 0.63 0.20 0.00 -1.93 0.00 0.00 178.83 177.34 1h2i h ALA 38 N 1.31 0.68 -0.23 3.38 0.00 -0.78 -2.37 119.26 121.25 1h2i h ALA 38 Ca 0.30 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 38 Cb -0.03 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1h2i h ALA 38 CO -0.10 0.29 -0.20 0.82 0.00 0.00 0.00 179.25 180.06 1h2i h ILE 39 N 0.70 1.32 -0.74 0.00 2.04 -0.95 0.69 117.51 120.57 1h2i h ILE 39 Ca 0.17 -1.36 0.15 0.00 1.00 0.00 0.00 64.86 64.82 1h2i h ILE 39 Cb 0.21 1.69 -0.10 0.00 -0.74 0.00 0.00 36.82 37.88 1h2i h ILE 39 CO -0.01 0.42 0.27 1.56 0.00 0.00 0.00 178.15 180.38 1h2i h GLN 40 N 0.24 0.38 -0.03 2.37 1.08 -0.72 -0.06 115.11 118.37 1h2i h GLN 40 Ca 0.04 -0.02 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 1h2i h GLN 40 Cb 0.75 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.09 1h2i h GLN 40 CO 0.05 0.25 -0.02 0.87 -0.95 0.00 0.00 178.83 179.03 1h2i h LYS 41 N 0.40 0.07 -0.95 1.46 1.57 -1.21 -3.23 116.57 114.68 1h2i h LYS 41 Ca 0.41 -0.03 0.08 0.00 -1.87 0.00 0.00 60.65 59.24 1h2i h LYS 41 Cb 0.64 -0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.89 1h2i h LYS 41 CO -0.43 0.50 0.61 0.00 -0.57 0.00 0.00 179.45 179.57 1h2i h ALA 42 N 0.56 1.50 0.00 3.86 0.00 -0.03 -2.03 119.26 123.13 1h2i h ALA 42 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1h2i h ALA 42 Cb 0.49 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1h2i h ALA 42 CO 0.01 0.34 -0.00 -0.07 0.00 0.00 0.00 179.25 179.53 1h2i h LEU 43 N 1.05 0.00 -1.61 0.00 3.38 -1.06 -2.49 115.31 114.58 1h2i h LEU 43 Ca 0.42 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.35 1h2i h LEU 43 Cb 0.26 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1h2i h LEU 43 CO -0.17 0.00 -0.21 0.03 0.09 0.00 0.00 178.44 178.17 1h2i h ARG 44 N 0.00 0.00 -6.82 1.13 3.08 -1.40 0.11 114.38 110.48 1h2i h ARG 44 Ca -0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1h2i h ARG 44 Cb 0.00 0.00 0.11 0.00 0.08 0.00 0.00 29.97 30.16 1h2i h ARG 44 CO 0.00 0.21 0.61 1.04 -1.07 0.00 0.00 179.97 180.76 1h2i n GLN 45 N -3.99 2.34 -2.80 0.04 6.02 -0.94 -4.61 117.38 113.44 1h2i n GLN 45 Ca -0.02 0.82 -0.27 0.00 -0.01 0.00 0.00 57.00 57.52 1h2i n GLN 45 Cb 0.29 -2.46 -0.01 0.00 1.02 0.00 0.00 30.24 29.09 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 -1.96 3.57 0.06 -1.09 1.81 -1.26 -1.54 118.95 118.54 1h2i s ARG 46 Ca 0.55 0.15 -0.05 0.00 -1.72 0.00 0.00 55.73 54.66 1h2i s ARG 46 Cb -0.53 -2.43 -0.05 0.00 -0.45 0.00 0.00 34.95 31.49 1h2i s ARG 46 CO 0.63 -0.11 0.29 -0.48 -0.68 0.00 0.00 175.30 174.95 1h2i s LEU 47 N -4.51 4.34 1.15 2.53 2.34 -1.26 -4.92 118.68 118.35 1h2i s LEU 47 Ca 0.47 0.52 -0.16 0.00 0.06 0.00 0.00 54.13 55.02 1h2i s LEU 47 Cb -0.10 -2.93 0.26 0.00 -0.56 0.00 0.00 46.19 42.86 1h2i s LEU 47 CO 0.41 0.17 1.06 -0.83 -1.06 0.00 0.00 176.35 176.11 1h2i s GLY 48 N -2.07 1.54 0.61 -3.48 0.00 -1.26 -4.91 107.32 97.74 1h2i s GLY 48 Ca 0.33 -0.54 0.32 0.00 0.00 0.00 0.00 44.72 44.83 1h2i s GLY 48 CO 0.21 0.23 2.24 -2.55 0.00 0.00 0.00 173.10 173.23 1h2i h PRO 49 N -2.46 0.00 0.00 2.90 0.11 -1.96 -2.23 132.00 128.37 1h2i h PRO 49 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 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 0.47 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.41 1h2i n GLU 50 N -3.68 0.16 -0.08 1.05 0.00 -1.26 -2.53 120.64 114.30 1h2i n GLU 50 Ca -0.02 0.18 -0.09 0.00 0.00 0.00 0.00 57.16 57.23 1h2i n GLU 50 Cb 0.13 -1.50 -0.12 0.00 0.00 0.00 0.00 31.44 29.96 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 -1.28 0.00 -2.82 -1.84 4.02 -0.84 -4.99 117.16 109.41 1h2i n TYR 51 Ca 0.05 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.53 1h2i n TYR 51 Cb 0.09 -0.76 -0.04 0.00 -0.02 0.00 0.00 39.34 38.61 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 -2.38 4.85 0.32 -0.72 -1.09 -1.05 -4.43 121.20 116.71 1h2i s ILE 52 Ca -0.11 1.87 0.04 0.00 -2.23 0.00 0.00 60.65 60.22 1h2i s ILE 52 Cb 0.05 -4.23 -0.06 0.00 -1.58 0.00 0.00 42.46 36.63 1h2i s ILE 52 CO 0.60 0.22 0.06 -0.94 -1.23 0.00 0.00 174.94 173.65 1h2i s SER 53 N 0.73 2.29 0.12 3.58 1.04 -0.41 -4.97 113.70 116.08 1h2i s SER 53 Ca 0.47 -1.37 -0.07 0.00 0.48 0.00 0.00 55.95 55.46 1h2i s SER 53 Cb -0.20 -0.07 -0.01 0.00 0.10 0.00 0.00 66.02 65.83 1h2i s SER 53 CO 0.25 -0.61 0.19 -0.94 0.98 0.00 0.00 173.24 173.12 1h2i s SER 54 N -3.47 0.15 0.19 7.02 1.04 -1.26 -1.00 113.70 116.37 1h2i s SER 54 Ca 0.36 -0.86 -0.03 0.00 0.48 0.00 0.00 55.95 55.90 1h2i s SER 54 Cb 0.09 0.36 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1h2i s SER 54 CO 0.15 -0.79 0.16 0.00 0.98 0.00 0.00 173.24 173.75 1h2i s ARG 55 N -3.94 1.18 -0.29 4.02 1.70 -0.71 -4.96 118.95 115.96 1h2i s ARG 55 Ca 0.13 -1.53 -0.17 0.00 -0.47 0.00 0.00 55.73 53.70 1h2i s ARG 55 Cb 0.05 0.29 -0.02 0.00 -0.57 0.00 0.00 34.95 34.70 1h2i s ARG 55 CO -0.04 -0.40 0.47 -1.64 -1.08 0.00 0.00 175.30 172.61 1h2i s MET 56 N -4.11 3.91 0.77 3.89 -1.94 -1.26 -1.37 119.30 119.19 1h2i s MET 56 Ca 0.33 0.09 -0.11 0.00 -1.71 0.00 0.00 55.69 54.29 1h2i s MET 56 Cb 0.06 -3.70 0.05 0.00 2.01 0.00 0.00 34.83 33.25 1h2i s MET 56 CO 0.09 -0.42 1.09 0.00 -0.01 0.00 0.00 175.02 175.77 1h2i s ALA 57 N 2.26 2.37 0.34 3.03 0.00 0.62 -4.88 121.76 125.51 1h2i s ALA 57 Ca 0.19 -0.13 0.06 0.00 0.00 0.00 0.00 51.96 52.07 1h2i s ALA 57 Cb -0.16 -3.12 0.72 0.00 0.00 0.00 0.00 23.12 20.56 1h2i s ALA 57 CO 0.11 -1.59 1.91 0.78 0.00 0.00 0.00 175.76 176.97 1h2i h GLY 58 N -0.99 1.14 -0.98 0.00 0.00 -1.98 -0.44 103.07 99.83 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 0.59 0.19 0.00 0.61 0.00 0.00 0.00 176.54 177.93 1h2i n GLY 59 N -1.43 0.91 3.37 4.60 0.00 -1.26 -4.73 105.19 106.65 1h2i n GLY 59 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 1h2i n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1h2i n GLY 60 N 0.18 -0.53 3.08 -0.02 0.00 -0.18 -4.98 105.19 102.74 1h2i n GLY 60 Ca 0.00 0.19 -0.23 0.00 0.00 0.00 0.00 46.02 45.98 1h2i n GLY 60 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1h2i s GLN 61 N -6.07 1.27 0.36 1.61 -2.07 -1.22 -4.89 119.66 108.65 1h2i s GLN 61 Ca 0.46 -0.46 -0.28 0.00 -1.82 0.00 0.00 55.36 53.26 1h2i s GLN 61 Cb -0.21 -1.16 -0.12 0.00 -1.09 0.00 0.00 33.01 30.43 1h2i s GLN 61 CO 0.57 0.21 1.44 1.17 -1.32 0.00 0.00 175.29 177.37 1h2i n LYS 62 N 3.07 2.51 -3.82 9.60 4.81 -1.26 -0.27 118.16 132.80 1h2i n LYS 62 Ca -0.17 0.88 -0.25 0.00 -0.87 0.00 0.00 58.31 57.90 1h2i n LYS 62 Cb 0.54 -2.58 -0.17 0.00 0.02 0.00 0.00 35.03 32.84 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 -0.97 0.67 0.22 3.15 1.01 -0.47 -4.84 120.40 119.17 1h2i s VAL 63 Ca 0.55 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.25 1h2i s VAL 63 Cb -0.51 -0.83 -0.07 0.00 0.00 0.00 0.00 36.38 34.97 1h2i s VAL 63 CO 0.61 0.22 0.57 0.00 0.00 0.00 0.00 175.10 176.51 1h2i s TYR 65 N -1.73 -0.18 -0.08 0.00 -0.85 -0.17 -4.99 117.35 109.35 1h2i s TYR 65 Ca 0.45 -0.23 0.03 0.00 -0.52 0.00 0.00 57.07 56.80 1h2i s TYR 65 Cb -0.12 0.68 -0.02 0.00 0.38 0.00 0.00 41.96 42.88 1h2i s TYR 65 CO 0.20 -1.10 -0.16 0.42 -1.52 0.00 0.00 175.55 173.39 1h2i s ILE 66 N -3.72 2.84 0.25 -3.49 1.01 -1.26 -1.29 121.20 115.55 1h2i s ILE 66 Ca 0.11 -0.78 -0.30 0.00 0.00 0.00 0.00 60.65 59.69 1h2i s ILE 66 Cb -0.04 -2.13 -0.09 0.00 0.01 0.00 0.00 42.46 40.21 1h2i s ILE 66 CO 0.05 0.56 1.14 -1.61 0.00 0.00 0.00 174.94 175.09 1h2i s GLU 67 N -0.22 4.57 0.28 2.79 2.02 -1.26 -4.90 118.70 121.99 1h2i s GLU 67 Ca -0.00 1.85 0.00 0.00 0.02 0.00 0.00 54.97 56.84 1h2i s GLU 67 Cb -0.13 -3.20 0.67 0.00 0.10 0.00 0.00 34.13 31.56 1h2i s GLU 67 CO 0.03 0.09 1.62 0.78 0.02 0.00 0.00 175.26 177.80 1h2i h GLY 68 N 4.26 1.21 1.93 -1.39 0.00 -1.99 0.19 103.07 107.29 1h2i h GLY 68 Ca -0.46 0.06 -0.05 0.00 0.00 0.00 0.00 47.33 46.88 1h2i h GLY 68 CO 0.69 -0.40 -0.19 1.12 0.00 0.00 0.00 176.54 177.76 1h2i h HIS 69 N 0.12 0.09 -0.38 5.60 2.07 -2.00 0.89 115.15 121.54 1h2i h HIS 69 Ca 0.54 -0.01 -0.16 0.00 -2.85 0.00 0.00 60.37 57.89 1h2i h HIS 69 Cb 1.07 -0.03 -0.01 0.00 2.57 0.00 0.00 27.41 31.02 1h2i h HIS 69 CO -0.37 0.28 -0.39 0.00 -3.07 0.00 0.00 177.93 174.38 1h2i h ARG 70 N 0.08 0.93 -0.36 5.12 2.47 -1.00 -2.21 114.38 119.42 1h2i h ARG 70 Ca 0.02 -0.49 -0.02 0.00 -1.26 0.00 0.00 59.98 58.22 1h2i h ARG 70 Cb 0.39 0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.72 1h2i h ARG 70 CO 0.03 1.15 0.15 0.28 0.56 0.00 0.00 179.97 182.14 1h2i h VAL 71 N 0.76 1.18 -0.73 2.04 2.07 -0.80 0.12 116.25 120.89 1h2i h VAL 71 Ca 0.06 -0.55 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1h2i h VAL 71 Cb 0.99 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 31.58 1h2i h VAL 71 CO 0.10 0.20 0.40 0.40 0.02 0.00 0.00 177.57 178.68 1h2i h ILE 72 N 0.43 0.92 -0.11 4.57 2.04 -0.71 -0.46 117.51 124.19 1h2i h ILE 72 Ca 0.12 -0.24 -0.16 0.00 1.00 0.00 0.00 64.86 65.58 1h2i h ILE 72 Cb 0.17 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 1h2i h ILE 72 CO -0.01 0.13 -0.62 0.78 0.00 0.00 0.00 178.15 178.42 1h2i h ASN 73 N 0.70 0.43 -0.21 1.72 2.35 -0.93 -0.69 115.58 118.95 1h2i h ASN 73 Ca 0.34 -0.25 0.02 0.00 -0.55 0.00 0.00 56.30 55.86 1h2i h ASN 73 Cb 0.28 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.51 1h2i h ASN 73 CO -0.22 0.95 0.08 -0.07 -1.65 0.00 0.00 177.43 176.51 1h2i h LEU 74 N 0.28 0.10 -0.08 1.61 3.38 -0.04 -0.54 115.31 120.01 1h2i h LEU 74 Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1h2i h LEU 74 Cb 1.16 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.91 1h2i h LEU 74 CO 0.11 0.08 0.04 0.00 0.09 0.00 0.00 178.44 178.76 1h2i h ALA 75 N 1.12 0.10 -0.87 1.53 0.00 -0.84 0.14 119.26 120.44 1h2i h ALA 75 Ca 0.09 -0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1h2i h ALA 75 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 75 CO -0.09 -0.42 0.57 -0.91 0.00 0.00 0.00 179.25 178.41 1h2i h ASN 76 N 0.09 0.97 0.45 0.00 2.35 -0.93 0.70 115.58 119.22 1h2i h ASN 76 Ca 0.03 -0.02 -0.16 0.00 -0.55 0.00 0.00 56.30 55.61 1h2i h ASN 76 Cb -0.00 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.12 1h2i h ASN 76 CO -0.01 0.68 -0.67 -0.33 -1.65 0.00 0.00 177.43 175.45 1h2i h GLU 77 N 1.14 0.20 -0.06 0.81 4.39 -0.77 0.47 114.58 120.75 1h2i h GLU 77 Ca 0.33 -0.15 -0.09 0.00 0.34 0.00 0.00 59.36 59.79 1h2i h GLU 77 Cb -0.06 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.62 1h2i h GLU 77 CO -0.09 0.79 -0.32 1.98 -1.16 0.00 0.00 179.01 180.21 1h2i h MET 78 N 0.14 0.32 -0.00 2.33 4.05 -0.05 -3.38 114.93 118.34 1h2i h MET 78 Ca -0.01 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.14 1h2i h MET 78 Cb 1.20 0.06 0.00 0.00 -0.80 0.00 0.00 31.60 32.06 1h2i h MET 78 CO 0.10 0.91 -0.46 1.19 0.23 0.00 0.00 176.91 178.88 1h2i n PHE 79 N -4.43 0.00 0.00 1.39 3.72 0.18 -4.98 117.46 113.33 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 0.50 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.04 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 1.20 1.36 0.33 1.37 0.00 0.16 -3.34 105.19 106.27 1h2i n GLY 80 Ca 0.03 -1.62 0.18 0.00 0.00 0.00 0.00 46.02 44.61 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 -0.30 1.61 -0.00 -1.90 0.83 116.97 117.22 1h2i h TYR 81 Ca 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 58.73 58.67 1h2i h TYR 81 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 36.73 36.69 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 -3.54 3.48 -0.00 0.10 2.04 -1.26 -4.55 115.26 111.52 1h2i n ASN 82 Ca -0.01 -3.24 0.08 0.00 -0.44 0.00 0.00 54.58 50.97 1h2i n ASN 82 Cb 0.20 -0.58 -0.11 0.00 -2.53 0.00 0.00 39.78 36.77 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 -0.72 -0.63 3.10 4.83 0.00 0.29 -4.74 105.19 107.32 1h2i n GLY 83 Ca 0.26 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.77 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 0.47 0.19 1.61 1.48 -1.25 -1.25 118.94 117.40 1h2i s TRP 84 Ca 0.01 -1.00 -0.13 0.00 -1.06 0.00 0.00 56.10 53.93 1h2i s TRP 84 Cb 0.12 -0.35 0.01 0.00 -1.16 0.00 0.00 33.47 32.09 1h2i s TRP 84 CO 0.68 -0.39 0.41 0.00 -4.06 0.00 0.00 176.95 173.59 1h2i s ALA 85 N -3.84 -0.38 -0.01 2.67 0.00 0.11 -4.96 121.76 115.36 1h2i s ALA 85 Ca 0.06 -0.65 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 1h2i s ALA 85 Cb 0.07 0.90 0.04 0.00 0.00 0.00 0.00 23.12 24.13 1h2i s ALA 85 CO -0.10 -0.74 0.47 -3.38 0.00 0.00 0.00 175.76 172.00 1h2i s HIS 86 N -3.94 -0.37 0.07 0.00 -3.43 -1.26 -0.24 115.29 106.12 1h2i s HIS 86 Ca 0.15 0.56 -0.01 0.00 -0.80 0.00 0.00 55.06 54.96 1h2i s HIS 86 Cb 0.01 0.24 -0.04 0.00 -1.43 0.00 0.00 32.58 31.36 1h2i s HIS 86 CO 0.01 -0.52 -0.02 -1.54 -2.00 0.00 0.00 174.74 170.67 1h2i s SER 87 N -1.46 0.49 -0.43 7.38 1.04 -0.28 -4.98 113.70 115.46 1h2i s SER 87 Ca -0.11 -1.04 -0.15 0.00 0.48 0.00 0.00 55.95 55.14 1h2i s SER 87 Cb -0.02 0.21 0.03 0.00 0.10 0.00 0.00 66.02 66.34 1h2i s SER 87 CO 0.04 -0.62 0.34 -0.63 0.98 0.00 0.00 173.24 173.36 1h2i s ILE 88 N -3.93 5.24 0.26 -1.02 1.01 -1.26 -0.98 121.20 120.53 1h2i s ILE 88 Ca 0.10 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 60.06 1h2i s ILE 88 Cb 0.08 -4.00 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 1h2i s ILE 88 CO -0.08 -0.40 1.62 0.71 0.00 0.00 0.00 174.94 176.80 1h2i h THR 89 N 5.67 1.36 -1.54 2.92 1.35 -1.00 -3.46 112.91 118.20 1h2i h THR 89 Ca -0.27 -1.78 0.09 0.00 -0.55 0.00 0.00 66.41 63.89 1h2i h THR 89 Cb 1.12 1.87 -0.23 0.00 -1.73 0.00 0.00 68.15 69.17 1h2i h THR 89 CO 0.78 0.53 0.56 -1.58 -0.25 0.00 0.00 175.52 175.56 1h2i s GLN 90 N -3.92 0.57 -0.04 4.72 0.74 -1.20 -5.00 119.66 115.53 1h2i s GLN 90 Ca -0.04 0.14 0.01 0.00 0.05 0.00 0.00 55.36 55.52 1h2i s GLN 90 Cb 0.13 0.27 0.02 0.00 1.10 0.00 0.00 33.01 34.53 1h2i s GLN 90 CO 0.78 -0.18 -0.03 -1.14 -0.55 0.00 0.00 175.29 174.18 1h2i s GLN 91 N -1.11 0.68 -0.05 1.67 0.74 -1.26 -0.45 119.66 119.88 1h2i s GLN 91 Ca -0.01 -0.04 0.02 0.00 0.05 0.00 0.00 55.36 55.37 1h2i s GLN 91 Cb -0.00 -0.76 0.02 0.00 1.10 0.00 0.00 33.01 33.36 1h2i s GLN 91 CO 0.01 -0.11 -0.08 1.21 -0.55 0.00 0.00 175.29 175.77 1h2i s ASN 92 N 1.02 1.24 -0.36 6.67 3.84 0.01 -5.00 114.94 122.37 1h2i s ASN 92 Ca -0.10 -0.19 -0.25 0.00 0.21 0.00 0.00 52.86 52.53 1h2i s ASN 92 Cb -0.14 -0.56 0.01 0.00 -0.55 0.00 0.00 41.25 40.02 1h2i s ASN 92 CO -0.01 -0.01 0.88 -0.69 -2.79 0.00 0.00 177.10 174.48 1h2i s VAL 93 N 0.71 4.65 0.15 -5.21 1.01 -1.26 -0.99 120.40 119.45 1h2i s VAL 93 Ca -0.12 1.13 -0.05 0.00 0.00 0.00 0.00 61.98 62.94 1h2i s VAL 93 Cb -0.14 -4.28 -0.13 0.00 0.00 0.00 0.00 36.38 31.83 1h2i s VAL 93 CO 0.02 -0.47 1.39 0.44 0.00 0.00 0.00 175.10 176.47 1h2i h ASP 94 N 8.41 0.63 -3.76 3.32 3.45 -0.96 -3.48 116.42 124.04 1h2i h ASP 94 Ca -0.24 -0.42 0.16 0.00 0.43 0.00 0.00 57.03 56.97 1h2i h ASP 94 Cb 1.08 -0.19 -0.24 0.00 -0.56 0.00 0.00 39.33 39.43 1h2i h ASP 94 CO 0.95 1.18 0.73 0.72 -1.57 0.00 0.00 179.24 181.26 1h2i s PHE 95 N -3.64 -0.21 -0.32 4.55 -0.12 -1.18 -4.98 117.98 112.09 1h2i s PHE 95 Ca -0.07 0.33 -0.01 0.00 -0.05 0.00 0.00 56.93 57.13 1h2i s PHE 95 Cb 0.10 0.48 0.10 0.00 -0.63 0.00 0.00 43.02 43.07 1h2i s PHE 95 CO 0.86 -0.21 0.11 0.08 -0.05 0.00 0.00 175.22 176.01 1h2i s VAL 96 N -1.30 0.86 -0.08 -2.49 1.01 -1.26 -2.49 120.40 114.66 1h2i s VAL 96 Ca 0.04 -1.45 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1h2i s VAL 96 Cb -0.01 -1.65 -0.03 0.00 0.00 0.00 0.00 36.38 34.69 1h2i s VAL 96 CO -0.03 -0.70 -0.01 -1.81 0.00 0.00 0.00 175.10 172.55 1h2i s ASP 97 N 1.55 5.12 -0.31 3.32 1.01 0.73 -4.95 116.67 123.15 1h2i s ASP 97 Ca 0.10 0.10 -0.01 0.00 0.71 0.00 0.00 52.55 53.46 1h2i s ASP 97 Cb -0.18 -1.41 0.06 0.00 1.01 0.00 0.00 42.92 42.41 1h2i s ASP 97 CO -0.24 0.37 0.02 -0.22 0.21 0.00 0.00 175.17 175.31 1h2i s LEU 98 N -0.92 4.06 0.00 1.23 2.96 -1.26 0.50 118.68 125.25 1h2i s LEU 98 Ca 0.14 -1.42 0.09 0.00 -0.22 0.00 0.00 54.13 52.72 1h2i s LEU 98 Cb -0.11 -1.71 0.14 0.00 0.50 0.00 0.00 46.19 45.01 1h2i s LEU 98 CO 0.03 -0.29 0.94 0.59 -1.32 0.00 0.00 176.35 176.30 1h2i n ASN 99 N 4.58 2.13 0.00 3.68 5.03 -0.86 -4.97 115.26 124.85 1h2i n ASN 99 Ca -0.11 -1.61 0.00 0.00 0.87 0.00 0.00 54.58 53.73 1h2i n ASN 99 Cb 0.43 -0.07 0.00 0.00 -1.02 0.00 0.00 39.78 39.12 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 0.44 0.00 -0.06 6.41 3.02 -1.26 -4.91 115.26 118.89 1h2i n ASN 100 Ca 0.07 0.00 0.01 0.00 -0.03 0.00 0.00 54.58 54.63 1h2i n ASN 100 Cb 0.29 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.48 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 3.04 3.55 7.41 0.00 -1.26 -5.02 105.19 112.91 1h2i n GLY 101 Ca 0.00 -0.07 -0.27 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.06 2.00 -0.03 1.61 1.02 -1.26 -4.48 119.74 117.54 1h2i s LYS 102 Ca 0.03 -1.25 -0.01 0.00 0.02 0.00 0.00 55.97 54.76 1h2i s LYS 102 Cb 0.02 -2.15 -0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1h2i s LYS 102 CO 0.02 0.44 0.06 -0.06 -0.92 0.00 0.00 175.35 174.89 1h2i s PHE 103 N -1.59 3.26 -0.18 3.18 0.40 0.27 -2.04 117.98 121.29 1h2i s PHE 103 Ca 0.23 0.21 0.01 0.00 -0.60 0.00 0.00 56.93 56.78 1h2i s PHE 103 Cb -0.09 -1.75 0.03 0.00 0.51 0.00 0.00 43.02 41.71 1h2i s PHE 103 CO 0.14 0.54 -0.15 0.71 0.70 0.00 0.00 175.22 177.16 1h2i s TYR 104 N -1.10 2.50 -0.04 0.36 1.51 0.18 -1.32 117.35 119.44 1h2i s TYR 104 Ca 0.20 -1.52 0.02 0.00 -1.01 0.00 0.00 57.07 54.76 1h2i s TYR 104 Cb -0.12 -1.73 0.01 0.00 -0.11 0.00 0.00 41.96 40.01 1h2i s TYR 104 CO 0.10 -0.75 -0.10 0.08 -1.11 0.00 0.00 175.55 173.77 1h2i s VAL 105 N 1.38 0.92 -0.13 0.71 1.01 0.53 -0.19 120.40 124.63 1h2i s VAL 105 Ca 0.03 -0.41 0.02 0.00 0.00 0.00 0.00 61.98 61.62 1h2i s VAL 105 Cb -0.14 -0.83 0.01 0.00 0.00 0.00 0.00 36.38 35.42 1h2i s VAL 105 CO -0.11 0.29 -0.18 -0.83 0.00 0.00 0.00 175.10 174.28 1h2i s GLY 106 N 0.37 1.18 0.02 4.51 0.00 -1.04 -1.63 107.32 110.74 1h2i s GLY 106 Ca -0.07 -0.91 0.04 0.00 0.00 0.00 0.00 44.72 43.77 1h2i s GLY 106 CO 0.01 0.19 -0.11 0.14 0.00 0.00 0.00 173.10 173.34 1h2i s VAL 107 N 1.02 0.86 0.10 1.40 1.01 -0.21 -0.21 120.40 124.37 1h2i s VAL 107 Ca -0.04 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.29 1h2i s VAL 107 Cb -0.15 -0.78 -0.03 0.00 0.00 0.00 0.00 36.38 35.42 1h2i s VAL 107 CO -0.04 0.05 -0.22 0.00 0.00 0.00 0.00 175.10 174.89 1h2i s ALA 109 N -1.09 0.71 -0.32 0.00 0.00 -0.28 -0.81 121.76 119.96 1h2i s ALA 109 Ca 0.08 -0.45 -0.07 0.00 0.00 0.00 0.00 51.96 51.52 1h2i s ALA 109 Cb -0.10 -0.14 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1h2i s ALA 109 CO 0.04 0.15 0.11 -0.06 0.00 0.00 0.00 175.76 176.00 1h2i s PHE 110 N -0.40 3.20 -0.16 0.00 0.40 0.40 -0.20 117.98 121.21 1h2i s PHE 110 Ca 0.01 -1.09 -0.04 0.00 -0.60 0.00 0.00 56.93 55.22 1h2i s PHE 110 Cb -0.04 -2.29 -0.03 0.00 0.51 0.00 0.00 43.02 41.16 1h2i s PHE 110 CO -0.00 -0.63 -0.04 0.08 0.70 0.00 0.00 175.22 175.34 1h2i s VAL 111 N 1.48 3.89 -0.25 -0.44 1.01 -0.53 -0.28 120.40 125.29 1h2i s VAL 111 Ca 0.01 -0.36 -0.05 0.00 0.00 0.00 0.00 61.98 61.59 1h2i s VAL 111 Cb -0.18 -2.70 -0.00 0.00 0.00 0.00 0.00 36.38 33.49 1h2i s VAL 111 CO 0.03 0.49 -0.00 -0.60 0.00 0.00 0.00 175.10 175.02 1h2i s ARG 112 N 0.38 3.28 -0.05 2.72 3.52 -0.15 -2.05 118.95 126.60 1h2i s ARG 112 Ca -0.04 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 54.82 1h2i s ARG 112 Cb -0.14 -3.13 -0.04 0.00 -1.56 0.00 0.00 34.95 30.08 1h2i s ARG 112 CO 0.03 -0.28 0.11 0.54 -0.81 0.00 0.00 175.30 174.89 1h2i s VAL 113 N 1.48 5.07 0.04 7.11 0.11 -0.15 -1.12 120.40 132.94 1h2i s VAL 113 Ca 0.04 -0.16 0.02 0.00 -2.93 0.00 0.00 61.98 58.96 1h2i s VAL 113 Cb -0.15 -3.28 -0.02 0.00 -1.53 0.00 0.00 36.38 31.39 1h2i s VAL 113 CO -0.01 0.45 -0.08 -1.58 -3.33 0.00 0.00 175.10 170.54 1h2i s GLN 114 N -1.50 0.56 0.38 1.54 0.74 0.67 -1.83 119.66 120.22 1h2i s GLN 114 Ca 0.21 -0.75 0.05 0.00 0.05 0.00 0.00 55.36 54.92 1h2i s GLN 114 Cb -0.12 -0.36 -0.00 0.00 1.10 0.00 0.00 33.01 33.63 1h2i s GLN 114 CO 0.11 0.07 0.53 -0.51 -0.55 0.00 0.00 175.29 174.94 1h2i s LEU 115 N -1.51 3.84 0.27 3.68 1.02 -0.27 0.10 118.68 125.81 1h2i s LEU 115 Ca -0.08 -0.11 0.20 0.00 0.02 0.00 0.00 54.13 54.15 1h2i s LEU 115 Cb -0.10 -2.83 1.01 0.00 0.02 0.00 0.00 46.19 44.30 1h2i s LEU 115 CO 0.01 -0.55 1.60 2.29 0.02 0.00 0.00 176.35 179.71 1h2i n LYS 116 N -1.78 0.13 -0.19 1.70 2.85 -0.38 -0.64 118.16 119.85 1h2i n LYS 116 Ca 0.01 0.58 -0.09 0.00 -1.05 0.00 0.00 58.31 57.75 1h2i n LYS 116 Cb 0.58 -1.89 0.03 0.00 -0.65 0.00 0.00 35.03 33.10 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 1.03 0.00 -5.58 -0.00 -1.84 0.12 116.42 110.15 1h2i h ASP 117 Ca 0.00 -0.32 0.00 0.00 -0.00 0.00 0.00 57.03 56.71 1h2i h ASP 117 Cb 0.08 -0.28 0.00 0.00 -0.00 0.00 0.00 39.33 39.13 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 -0.33 1.73 3.75 -0.78 0.00 0.19 -4.53 105.19 105.22 1h2i n GLY 118 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.75 4.59 0.15 1.61 1.04 -1.26 -4.76 113.70 113.31 1h2i s SER 119 Ca 0.00 2.07 -0.24 0.00 0.48 0.00 0.00 55.95 58.26 1h2i s SER 119 Cb 0.00 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.63 1h2i s SER 119 CO 0.00 -1.98 0.69 -0.72 0.98 0.00 0.00 173.24 172.21 1h2i s TYR 120 N -2.39 -0.43 -0.09 5.02 -0.85 -1.26 -1.11 117.35 116.24 1h2i s TYR 120 Ca 0.68 0.19 -0.10 0.00 -0.52 0.00 0.00 57.07 57.31 1h2i s TYR 120 Cb -0.22 0.58 0.03 0.00 0.38 0.00 0.00 41.96 42.73 1h2i s TYR 120 CO 0.46 -0.85 0.28 -1.01 -1.52 0.00 0.00 175.55 172.91 1h2i s HIS 121 N -3.64 -0.27 0.02 -3.49 3.76 -0.76 -5.01 115.29 105.90 1h2i s HIS 121 Ca 0.04 0.64 0.05 0.00 -0.15 0.00 0.00 55.06 55.64 1h2i s HIS 121 Cb -0.02 0.09 -0.02 0.00 1.11 0.00 0.00 32.58 33.75 1h2i s HIS 121 CO -0.08 -0.18 -0.14 -2.00 -0.85 0.00 0.00 174.74 171.48 1h2i s GLU 122 N -0.11 1.01 0.29 1.40 2.12 -1.26 -0.98 118.70 121.17 1h2i s GLU 122 Ca -0.02 -0.66 -0.06 0.00 0.36 0.00 0.00 54.97 54.58 1h2i s GLU 122 Cb -0.03 -1.01 -0.00 0.00 0.26 0.00 0.00 34.13 33.35 1h2i s GLU 122 CO 0.01 0.26 0.44 0.34 -0.54 0.00 0.00 175.26 175.77 1h2i s ASP 123 N -0.83 0.45 0.04 -1.70 -1.08 -0.87 -4.87 116.67 107.81 1h2i s ASP 123 Ca 0.03 -1.27 0.01 0.00 -0.52 0.00 0.00 52.55 50.80 1h2i s ASP 123 Cb -0.07 0.61 -0.04 0.00 -1.46 0.00 0.00 42.92 41.96 1h2i s ASP 123 CO 0.01 -1.20 0.09 0.68 0.52 0.00 0.00 175.17 175.26 1h2i s VAL 124 N -3.50 4.67 0.19 1.11 -7.23 -1.26 -1.45 120.40 112.93 1h2i s VAL 124 Ca 0.28 -0.59 0.08 0.00 -1.81 0.00 0.00 61.98 59.94 1h2i s VAL 124 Cb 0.00 -3.20 -0.04 0.00 0.56 0.00 0.00 36.38 33.70 1h2i s VAL 124 CO 0.15 0.22 -0.16 -0.83 -0.31 0.00 0.00 175.10 174.17 1h2i s GLY 125 N -2.13 1.41 0.09 2.32 0.00 0.71 -4.50 107.32 105.22 1h2i s GLY 125 Ca 0.27 -1.57 0.07 0.00 0.00 0.00 0.00 44.72 43.49 1h2i s GLY 125 CO 0.19 -1.65 -0.17 -0.47 0.00 0.00 0.00 173.10 171.00 1h2i s TYR 126 N -2.50 1.51 -0.03 1.90 5.04 -1.26 -1.12 117.35 120.88 1h2i s TYR 126 Ca 0.19 -0.45 0.03 0.00 -2.44 0.00 0.00 57.07 54.40 1h2i s TYR 126 Cb -0.03 -0.83 0.00 0.00 0.35 0.00 0.00 41.96 41.45 1h2i s TYR 126 CO 0.07 0.14 -0.12 0.20 -1.34 0.00 0.00 175.55 174.50 1h2i s GLY 127 N -1.89 0.68 0.05 8.97 0.00 0.21 -3.75 107.32 111.59 1h2i s GLY 127 Ca 0.03 -0.46 0.05 0.00 0.00 0.00 0.00 44.72 44.34 1h2i s GLY 127 CO 0.03 -0.16 -0.15 0.14 0.00 0.00 0.00 173.10 172.97 1h2i s VAL 128 N 0.18 1.17 -0.16 1.40 1.01 -1.26 -1.05 120.40 121.69 1h2i s VAL 128 Ca -0.04 -1.08 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1h2i s VAL 128 Cb -0.10 -1.07 0.08 0.00 0.00 0.00 0.00 36.38 35.28 1h2i s VAL 128 CO 0.01 -0.02 0.23 -0.55 0.00 0.00 0.00 175.10 174.77 1h2i s SER 129 N -1.26 0.87 -0.08 3.32 0.15 -0.64 -4.48 113.70 111.57 1h2i s SER 129 Ca 0.02 0.18 0.01 0.00 0.70 0.00 0.00 55.95 56.85 1h2i s SER 129 Cb -0.08 0.50 0.02 0.00 -1.71 0.00 0.00 66.02 64.74 1h2i s SER 129 CO 0.02 -0.28 -0.08 -1.61 1.20 0.00 0.00 173.24 172.48 1h2i s GLU 130 N 2.36 1.40 0.00 5.44 2.02 -1.26 -0.35 118.70 128.31 1h2i s GLU 130 Ca 0.04 -0.27 0.00 0.00 0.02 0.00 0.00 54.97 54.77 1h2i s GLU 130 Cb -0.14 -1.32 0.00 0.00 0.10 0.00 0.00 34.13 32.77 1h2i s GLU 130 CO -0.10 -0.11 0.00 0.41 0.02 0.00 0.00 175.26 175.48 1h2i n GLY 131 N 4.31 3.04 3.76 -1.39 0.00 -0.43 -5.01 105.19 109.46 1h2i n GLY 131 Ca -0.19 0.00 -0.31 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 2.98 -0.00 0.99 1.43 -1.26 -4.58 118.68 118.25 1h2i s LEU 132 Ca 0.00 1.85 0.22 0.00 -1.03 0.00 0.00 54.13 55.17 1h2i s LEU 132 Cb 0.00 -4.51 -0.20 0.00 0.03 0.00 0.00 46.19 41.51 1h2i s LEU 132 CO 0.00 -2.18 0.83 0.29 0.23 0.00 0.00 176.35 175.53 1h2i n LYS 133 N -3.62 0.18 -3.19 1.70 5.02 -1.26 -0.56 118.16 116.42 1h2i n LYS 133 Ca 0.09 -0.05 -0.40 0.00 -2.02 0.00 0.00 58.31 55.94 1h2i n LYS 133 Cb 0.53 -1.51 -0.07 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 -3.43 6.52 0.03 4.39 0.15 -1.26 -4.82 113.70 115.28 1h2i s SER 134 Ca 0.04 0.63 -0.24 0.00 0.70 0.00 0.00 55.95 57.07 1h2i s SER 134 Cb 0.15 -2.30 -0.18 0.00 -1.71 0.00 0.00 66.02 61.98 1h2i s SER 134 CO 0.87 -0.29 1.49 0.50 1.20 0.00 0.00 173.24 177.01 1h2i h LYS 135 N 7.83 0.01 -0.21 5.44 3.64 -1.98 -1.85 116.57 129.45 1h2i h LYS 135 Ca -0.29 -0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.13 1h2i h LYS 135 Cb 1.14 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1h2i h LYS 135 CO 0.74 0.27 -0.06 0.00 -2.27 0.00 0.00 179.45 178.12 1h2i h ALA 136 N 0.74 0.12 -0.30 5.00 0.00 -1.99 -0.29 119.26 122.54 1h2i h ALA 136 Ca 0.00 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 136 Cb 0.26 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 1h2i h ALA 136 CO 0.00 -0.49 0.06 -0.07 0.00 0.00 0.00 179.25 178.76 1h2i h LEU 137 N -0.02 0.40 -0.05 0.00 -0.00 -1.97 -0.51 115.31 113.16 1h2i h LEU 137 Ca 0.10 -0.05 -0.01 0.00 -0.00 0.00 0.00 57.88 57.92 1h2i h LEU 137 Cb 0.17 -0.10 -0.00 0.00 -0.00 0.00 0.00 40.66 40.73 1h2i h LEU 137 CO -0.22 0.42 -0.03 0.28 -0.00 0.00 0.00 178.44 178.88 1h2i h SER 138 N 0.43 0.10 -0.22 -0.43 0.02 -0.52 -2.01 113.55 110.92 1h2i h SER 138 Ca 0.10 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.62 1h2i h SER 138 Cb 0.19 -0.03 -0.01 0.00 0.14 0.00 0.00 62.40 62.69 1h2i h SER 138 CO -0.00 0.52 0.14 -0.07 -1.14 0.00 0.00 176.83 176.28 1h2i h LEU 139 N -0.31 0.27 -0.59 5.07 -0.00 -0.93 -1.49 115.31 117.33 1h2i h LEU 139 Ca 0.01 -0.04 0.06 0.00 -0.00 0.00 0.00 57.88 57.91 1h2i h LEU 139 Cb 0.48 -0.07 -0.05 0.00 -0.00 0.00 0.00 40.66 41.02 1h2i h LEU 139 CO 0.01 0.22 0.30 -0.08 -0.00 0.00 0.00 178.44 178.89 1h2i h GLU 140 N 0.29 0.54 -0.14 1.13 4.81 -1.07 0.66 114.58 120.80 1h2i h GLU 140 Ca 0.08 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1h2i h GLU 140 Cb 0.00 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.25 1h2i h GLU 140 CO -0.02 0.36 0.04 -0.22 -0.73 0.00 0.00 179.01 178.44 1h2i h LYS 141 N 0.56 0.22 -0.58 1.92 3.64 -1.18 -2.12 116.57 119.04 1h2i h LYS 141 Ca 0.27 -0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 1h2i h LYS 141 Cb 0.19 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 31.95 1h2i h LYS 141 CO -0.19 0.37 0.24 0.00 -2.27 0.00 0.00 179.45 177.60 1h2i h ALA 142 N 0.84 0.75 -0.47 5.00 0.00 -0.82 -1.30 119.26 123.26 1h2i h ALA 142 Ca 0.04 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1h2i h ALA 142 Cb 0.24 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1h2i h ALA 142 CO -0.00 0.36 -0.06 0.00 0.00 0.00 0.00 179.25 179.55 1h2i h ARG 143 N 0.80 0.87 -0.40 0.00 3.08 -0.87 -2.02 114.38 115.84 1h2i h ARG 143 Ca 0.19 -0.31 -0.15 0.00 0.07 0.00 0.00 59.98 59.78 1h2i h ARG 143 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 1h2i h ARG 143 CO -0.02 0.94 -0.34 0.87 -1.07 0.00 0.00 179.97 180.35 1h2i h LYS 144 N 0.72 0.94 -0.16 0.04 1.57 -1.27 -2.92 116.57 115.49 1h2i h LYS 144 Ca 0.13 -0.48 -0.11 0.00 -1.87 0.00 0.00 60.65 58.32 1h2i h LYS 144 Cb 0.59 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.89 1h2i h LYS 144 CO 0.04 1.14 -0.40 0.93 -0.57 0.00 0.00 179.45 180.58 1h2i h GLU 145 N 0.77 0.36 -0.26 3.15 5.08 -1.22 -2.41 114.58 120.04 1h2i h GLU 145 Ca 0.07 -0.17 0.03 0.00 -1.00 0.00 0.00 59.36 58.28 1h2i h GLU 145 Cb 0.94 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.16 1h2i h GLU 145 CO 0.09 0.70 0.09 0.00 -1.00 0.00 0.00 179.01 178.90 1h2i h ALA 146 N 1.28 0.29 0.15 3.43 0.00 -1.28 0.32 119.26 123.45 1h2i h ALA 146 Ca 0.03 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1h2i h ALA 146 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.63 1h2i h ALA 146 CO 0.07 -0.31 -0.08 0.28 0.00 0.00 0.00 179.25 179.21 1h2i h VAL 147 N 0.22 0.84 -0.46 0.00 2.07 -1.33 0.07 116.25 117.67 1h2i h VAL 147 Ca 0.11 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.62 1h2i h VAL 147 Cb 0.08 0.84 -0.02 0.00 -1.52 0.00 0.00 31.29 30.67 1h2i h VAL 147 CO -0.11 0.00 0.23 0.74 0.02 0.00 0.00 177.57 178.44 1h2i h THR 148 N -0.20 1.18 -0.52 2.57 2.02 -1.20 0.97 112.91 117.73 1h2i h THR 148 Ca -0.02 -0.50 0.05 0.00 0.77 0.00 0.00 66.41 66.71 1h2i h THR 148 Cb 0.16 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 1h2i h THR 148 CO 0.03 0.20 0.25 -0.78 0.37 0.00 0.00 175.52 175.59 1h2i h ASP 149 N 0.60 0.36 -0.38 4.18 -0.00 -0.26 0.25 116.42 121.16 1h2i h ASP 149 Ca 0.16 0.03 -0.02 0.00 -0.00 0.00 0.00 57.03 57.20 1h2i h ASP 149 Cb 0.10 -0.03 -0.02 0.00 -0.00 0.00 0.00 39.33 39.39 1h2i h ASP 149 CO -0.02 0.24 0.16 1.23 -0.00 0.00 0.00 179.24 180.85 1h2i h GLY 150 N 0.49 0.61 0.80 -0.78 0.00 -0.21 -0.87 103.07 103.11 1h2i h GLY 150 Ca 0.23 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 47.28 1h2i h GLY 150 CO -0.17 0.31 0.49 -2.00 0.00 0.00 0.00 176.54 175.17 1h2i h LEU 151 N 0.47 0.79 -0.29 3.11 5.85 -0.35 -0.32 115.31 124.58 1h2i h LEU 151 Ca 0.13 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.81 1h2i h LEU 151 Cb 0.18 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.03 1h2i h LEU 151 CO -0.01 0.53 -0.01 0.11 -0.34 0.00 0.00 178.44 178.72 1h2i h LYS 152 N 0.94 0.51 -0.60 1.25 1.57 -0.60 -2.12 116.57 117.52 1h2i h LYS 152 Ca 0.33 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.91 1h2i h LYS 152 Cb 0.08 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 1h2i h LYS 152 CO -0.14 0.67 0.25 0.00 -0.57 0.00 0.00 179.45 179.66 1h2i h ARG 153 N 0.30 0.88 0.08 3.15 3.08 -0.67 -2.01 114.38 119.19 1h2i h ARG 153 Ca 0.08 -0.15 0.01 0.00 0.07 0.00 0.00 59.98 59.99 1h2i h ARG 153 Cb 0.44 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1h2i h ARG 153 CO 0.02 0.75 -0.16 0.00 -1.07 0.00 0.00 179.97 179.50 1h2i h ALA 154 N 1.09 -0.26 -0.87 0.04 0.00 -1.00 -2.66 119.26 115.60 1h2i h ALA 154 Ca 0.20 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1h2i h ALA 154 Cb 0.18 0.26 -0.07 0.00 0.00 0.00 0.00 17.79 18.17 1h2i h ALA 154 CO -0.02 -0.68 0.56 -0.07 0.00 0.00 0.00 179.25 179.05 1h2i h LEU 155 N -0.31 0.60 -1.48 0.00 4.07 -1.17 -1.84 115.31 115.17 1h2i h LEU 155 Ca 0.03 0.04 0.21 0.00 0.08 0.00 0.00 57.88 58.23 1h2i h LEU 155 Cb 0.34 -0.08 -0.07 0.00 1.08 0.00 0.00 40.66 41.93 1h2i h LEU 155 CO -0.10 0.30 0.60 0.03 -1.08 0.00 0.00 178.44 178.19 1h2i h ARG 156 N 0.63 0.41 -0.12 1.13 3.08 -0.99 -1.07 114.38 117.46 1h2i h ARG 156 Ca 0.44 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.50 1h2i h ARG 156 Cb 0.77 -0.09 -0.00 0.00 0.08 0.00 0.00 29.97 30.72 1h2i h ARG 156 CO -0.19 0.27 0.33 0.77 -1.07 0.00 0.00 179.97 180.08 1h2i h SER 157 N 0.42 0.00 1.60 7.04 0.02 -1.41 -0.81 113.55 120.41 1h2i h SER 157 Ca 0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.43 1h2i h SER 157 Cb 1.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.72 1h2i h SER 157 CO -0.19 0.00 0.00 -0.26 -1.14 0.00 0.00 176.83 175.24 1h2i h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.39 -3.49 116.94 114.50 1h2i h PHE 158 Ca 0.06 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.84 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 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1h2i n GLY 159 N 1.24 0.96 0.20 -1.45 0.00 -0.31 -4.93 105.19 100.90 1h2i n GLY 159 Ca 0.05 -1.68 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 0.54 -0.08 1.61 2.35 -1.55 -0.96 115.58 117.49 1h2i h ASN 160 Ca 0.00 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.73 1h2i h ASN 160 Cb 0.00 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.23 1h2i h ASN 160 CO 0.00 0.42 0.19 0.00 -1.65 0.00 0.00 177.43 176.39 1h2i h ALA 161 N 1.14 1.43 -0.61 -0.83 0.00 0.25 0.28 119.26 120.91 1h2i h ALA 161 Ca 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1h2i h ALA 161 Cb -0.02 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1h2i h ALA 161 CO -0.03 -0.23 0.00 1.28 0.00 0.00 0.00 179.25 180.27 1h2i n LEU 162 N -3.30 3.94 0.00 0.00 7.99 -0.97 -4.92 117.00 119.74 1h2i n LEU 162 Ca -0.01 -2.16 0.00 0.00 -0.01 0.00 0.00 56.01 53.84 1h2i n LEU 162 Cb 0.28 -0.46 0.00 0.00 -0.11 0.00 0.00 43.42 43.13 1h2i n LEU 162 CO 0.21 0.88 0.00 0.61 -1.51 0.00 0.00 177.39 177.57 1h2i n GLY 163 N 1.18 1.17 0.24 -0.72 0.00 0.96 -3.91 105.19 104.11 1h2i n GLY 163 Ca 0.22 0.00 0.16 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 -0.25 1.61 -0.00 -1.06 -2.37 115.58 113.50 1h2i h ASN 164 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.30 56.11 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 -0.59 0.00 -0.00 0.00 0.00 177.43 176.84 1h2i n ILE 166 N -4.01 0.00 0.03 0.00 0.00 -0.89 0.58 119.36 115.06 1h2i n ILE 166 Ca -0.05 0.75 0.05 0.00 0.00 0.00 0.00 62.75 63.50 1h2i n ILE 166 Cb 0.65 -1.27 0.12 0.00 0.00 0.00 0.00 39.64 39.14 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 -2.82 2.60 -4.56 9.51 -0.00 -1.26 -4.91 117.00 115.56 1h2i n LEU 167 Ca 0.20 -1.68 -0.42 0.00 -0.00 0.00 0.00 56.01 54.11 1h2i n LEU 167 Cb 1.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 43.42 44.23 1h2i n LEU 167 CO 0.20 0.61 1.12 -0.62 -0.00 0.00 0.00 177.39 178.70 1h2i s ASP 168 N -0.97 6.30 0.47 1.45 3.68 0.20 -4.92 116.67 122.88 1h2i s ASP 168 Ca 0.20 -0.18 0.26 0.00 2.13 0.00 0.00 52.55 54.95 1h2i s ASP 168 Cb 0.11 -2.55 1.30 0.00 -1.45 0.00 0.00 42.92 40.33 1h2i s ASP 168 CO 0.15 -1.65 1.83 0.11 0.13 0.00 0.00 175.17 175.74 1h2i h LYS 169 N 9.78 0.20 0.00 4.34 1.57 -1.91 0.12 116.57 130.66 1h2i h LYS 169 Ca -0.26 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.42 1h2i h LYS 169 Cb 1.05 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.31 1h2i h LYS 169 CO 1.23 0.13 -0.41 -0.44 -0.57 0.00 0.00 179.45 179.39 1h2i h ASP 170 N 0.20 0.00 0.01 0.86 3.32 -1.96 -0.74 116.42 118.12 1h2i h ASP 170 Ca 0.51 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 57.43 1h2i h ASP 170 Cb 1.63 0.00 0.01 0.00 0.22 0.00 0.00 39.33 41.20 1h2i h ASP 170 CO -0.13 0.41 -0.50 0.22 -1.72 0.00 0.00 179.24 177.52 1h2i h TYR 171 N 0.00 0.48 -0.46 4.55 3.20 -1.14 -2.45 116.97 121.15 1h2i h TYR 171 Ca -0.00 -0.27 0.01 0.00 3.14 0.00 0.00 58.73 61.61 1h2i h TYR 171 Cb 0.94 -0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.13 1h2i h TYR 171 CO 0.00 1.10 0.29 -0.07 -1.64 0.00 0.00 178.16 177.84 1h2i h LEU 172 N -0.27 0.48 -0.14 2.82 3.38 -1.18 -1.38 115.31 119.02 1h2i h LEU 172 Ca -0.07 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 57.94 1h2i h LEU 172 Cb 1.25 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.85 1h2i h LEU 172 CO 0.10 0.34 -0.08 -0.09 0.09 0.00 0.00 178.44 178.80 1h2i h ARG 173 N 0.58 -0.08 0.00 1.13 2.43 -1.16 -0.55 114.38 116.73 1h2i h ARG 173 Ca 0.18 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1h2i h ARG 173 Cb -0.02 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1h2i h ARG 173 CO -0.07 -0.05 0.00 -1.13 -1.51 0.00 0.00 179.97 177.21 1h2i n SER 174 N -5.23 0.00 0.11 -3.80 3.41 -0.92 -2.30 113.62 104.88 1h2i n SER 174 Ca -0.03 0.22 -0.20 0.00 -0.26 0.00 0.00 58.87 58.60 1h2i n SER 174 Cb 0.15 -0.39 -0.15 0.00 -0.26 0.00 0.00 64.21 63.57 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 0.61 -1.43 1.04 3.38 0.01 -3.27 115.31 115.64 1h2i h LEU 175 Ca 0.00 -0.70 -0.03 0.00 0.09 0.00 0.00 57.88 57.24 1h2i h LEU 175 Cb 0.28 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1h2i h LEU 175 CO 0.00 1.56 0.06 0.78 0.09 0.00 0.00 178.44 180.93 1h2i h ASN 176 N 0.11 0.40 0.00 -0.43 2.35 -0.93 -2.60 115.58 114.47 1h2i h ASN 176 Ca -0.23 -0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 1h2i h ASN 176 Cb 2.07 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 40.34 1h2i h ASN 176 CO 0.22 0.42 0.00 0.29 -1.65 0.00 0.00 177.43 176.71 1h2i n LYS 177 N -4.36 0.83 -4.35 0.81 5.02 -1.18 -4.79 118.16 110.14 1h2i n LYS 177 Ca 0.01 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.06 1h2i n LYS 177 Cb 0.18 -1.21 -0.08 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 2.97 -0.38 -0.35 1.43 -0.98 -5.06 118.68 116.31 1h2i s LEU 178 Ca 0.00 -0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 52.06 1h2i s LEU 178 Cb 0.00 -1.51 -0.03 0.00 0.03 0.00 0.00 46.19 44.68 1h2i s LEU 178 CO 0.00 0.03 1.93 -2.84 0.23 0.00 0.00 176.35 175.70 1h2i s PRO 179 N -3.50 3.05 0.06 1.29 0.02 -1.26 -4.87 135.00 129.80 1h2i s PRO 179 Ca 0.30 1.37 -0.13 0.00 0.02 0.00 0.00 61.00 62.56 1h2i s PRO 179 Cb -0.06 -4.30 -0.08 0.00 0.02 0.00 0.00 34.50 30.08 1h2i s PRO 179 CO 0.18 -2.19 0.28 2.89 -0.33 0.00 0.00 177.00 177.83 1h2i n ARG 180 N 8.67 0.00 -3.71 5.54 1.85 -1.26 -4.81 116.66 122.94 1h2i n ARG 180 Ca 0.25 0.00 -0.36 0.00 -1.00 0.00 0.00 57.85 56.73 1h2i n ARG 180 Cb 0.48 -0.48 -0.07 0.00 -1.05 0.00 0.00 32.46 31.34 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 -0.32 3.92 -0.33 2.89 1.03 -1.26 -5.06 119.66 120.54 1h2i s GLN 181 Ca 0.30 -0.04 -0.29 0.00 0.04 0.00 0.00 55.36 55.38 1h2i s GLN 181 Cb -0.44 -3.32 0.00 0.00 0.03 0.00 0.00 33.01 29.28 1h2i s GLN 181 CO 0.24 0.49 1.39 -0.48 -2.54 0.00 0.00 175.29 174.39 1h2i s LEU 182 N -0.25 3.77 -0.11 2.60 2.34 -1.26 -4.90 118.68 120.88 1h2i s LEU 182 Ca 0.14 1.13 -0.03 0.00 0.06 0.00 0.00 54.13 55.43 1h2i s LEU 182 Cb -0.12 -3.54 -0.03 0.00 -0.56 0.00 0.00 46.19 41.94 1h2i s LEU 182 CO 0.03 -1.24 1.12 -2.65 -1.06 0.00 0.00 176.35 172.55 1h2i n PRO 183 N 7.64 0.01 -1.64 1.48 -0.02 -1.26 -4.85 135.00 136.37 1h2i n PRO 183 Ca 0.16 -0.17 -0.39 0.00 -2.02 0.00 0.00 63.50 61.08 1h2i n PRO 183 Cb 0.47 -1.30 0.04 0.00 -0.02 0.00 0.00 33.50 32.69 1h2i n PRO 183 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1h2i n LEU 184 N 6.06 3.69 -4.79 2.45 4.77 -1.26 -4.99 117.00 122.92 1h2i n LEU 184 Ca 0.04 0.90 -0.34 0.00 -0.03 0.00 0.00 56.01 56.59 1h2i n LEU 184 Cb 0.50 -1.41 -0.02 0.00 -2.33 0.00 0.00 43.42 40.15 1h2i n LEU 184 CO 0.51 -1.51 0.73 -1.61 -1.33 0.00 0.00 177.39 174.18 1h2i s GLU 185 N -2.55 3.64 -0.22 3.23 0.41 -1.26 -5.07 118.70 116.88 1h2i s GLU 185 Ca 0.71 1.39 -0.08 0.00 -0.41 0.00 0.00 54.97 56.58 1h2i s GLU 185 Cb -0.46 -2.07 -0.04 0.00 -1.78 0.00 0.00 34.13 29.79 1h2i s GLU 185 CO 0.51 -0.57 0.07 0.08 -0.49 0.00 0.00 175.26 174.86 1h2i s VAL 186 N -2.01 4.63 -0.74 2.63 1.01 -1.26 -5.06 120.40 119.60 1h2i s VAL 186 Ca 0.68 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 1h2i s VAL 186 Cb -0.18 -3.12 0.10 0.00 0.00 0.00 0.00 36.38 33.18 1h2i s VAL 186 CO 0.24 0.39 0.98 -0.62 0.00 0.00 0.00 175.10 176.09 1h2i s ASP 187 N 0.97 6.33 0.00 3.32 3.68 -1.26 -4.89 116.67 124.83 1h2i s ASP 187 Ca 0.04 -1.43 0.10 0.00 2.13 0.00 0.00 52.55 53.40 1h2i s ASP 187 Cb -0.14 -2.39 0.62 0.00 -1.45 0.00 0.00 42.92 39.56 1h2i s ASP 187 CO 0.03 -1.26 1.31 0.18 0.13 0.00 0.00 175.17 175.56 1h2i n LEU 188 N 7.08 0.00 0.18 -1.34 4.77 -1.26 -4.26 117.00 122.17 1h2i n LEU 188 Ca 0.05 0.00 -0.17 0.00 -0.03 0.00 0.00 56.01 55.86 1h2i n LEU 188 Cb 0.46 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.46 1h2i n LEU 188 CO 0.58 0.00 0.52 0.74 -1.33 0.00 0.00 177.39 177.90 1h2i h THR 189 N 0.00 0.00 -0.22 -5.08 2.02 -2.05 -2.28 112.91 105.30 1h2i h THR 189 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 66.41 67.10 1h2i h THR 189 Cb 0.00 0.00 -0.05 0.00 -1.74 0.00 0.00 68.15 66.36 1h2i h THR 189 CO 0.00 0.00 0.10 0.29 0.37 0.00 0.00 175.52 176.28 1h2i n LYS 190 N -5.40 1.66 -2.04 6.66 5.02 -1.26 -4.94 118.16 117.87 1h2i n LYS 190 Ca -0.10 -0.84 -0.42 0.00 -2.02 0.00 0.00 58.31 54.94 1h2i n LYS 190 Cb 0.42 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.91 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 -1.16 3.66 -0.24 7.82 0.00 -0.86 -4.91 121.76 126.07 1h2i s ALA 191 Ca 0.15 1.28 -0.39 0.00 0.00 0.00 0.00 51.96 53.00 1h2i s ALA 191 Cb 0.12 -3.57 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 1h2i s ALA 191 CO 0.04 -0.71 1.76 1.17 0.00 0.00 0.00 175.76 178.01 1h2i n LYS 192 N 3.14 1.32 0.00 0.00 4.81 -1.26 -4.83 118.16 121.34 1h2i n LYS 192 Ca 0.10 0.48 0.06 0.00 -0.87 0.00 0.00 58.31 58.08 1h2i n LYS 192 Cb 0.40 -2.19 0.00 0.00 0.02 0.00 0.00 35.03 33.26 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 5.50 1.92 -4.14 1.64 1.74 -1.26 -5.04 116.66 117.02 1h2i n ARG 193 Ca 0.26 -0.68 -0.15 0.00 -0.77 0.00 0.00 57.85 56.51 1h2i n ARG 193 Cb 0.16 -1.14 -0.06 0.00 -1.02 0.00 0.00 32.46 30.40 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 -1.49 1.75 -0.06 5.56 -0.21 -1.26 -5.08 119.66 118.88 1h2i s GLN 194 Ca 0.10 -1.75 -0.05 0.00 0.02 0.00 0.00 55.36 53.68 1h2i s GLN 194 Cb 0.09 0.40 -0.28 0.00 1.00 0.00 0.00 33.01 34.22 1h2i s GLN 194 CO 0.29 -0.69 0.62 -0.44 -2.12 0.00 0.00 175.29 172.94 1h2i h ASP 195 N 2.20 0.43 -2.62 5.90 3.45 -2.04 -3.47 116.42 120.27 1h2i h ASP 195 Ca -0.28 -0.75 -0.57 0.00 0.43 0.00 0.00 57.03 55.86 1h2i h ASP 195 Cb 1.24 -0.14 0.07 0.00 -0.56 0.00 0.00 39.33 39.94 1h2i h ASP 195 CO 0.40 1.65 0.78 -0.11 -1.57 0.00 0.00 179.24 180.38 1h2i n LEU 196 N -3.47 3.42 -3.78 1.55 -0.00 -1.26 -4.97 117.00 108.50 1h2i n LEU 196 Ca -0.24 1.11 -0.30 0.00 -0.00 0.00 0.00 56.01 56.58 1h2i n LEU 196 Cb 1.06 -1.47 -0.13 0.00 -0.00 0.00 0.00 43.42 42.87 1h2i n LEU 196 CO 0.48 -0.22 -0.22 -1.61 -0.00 0.00 0.00 177.39 175.81 1h2i s GLU 197 N 0.26 1.52 0.01 1.96 0.41 -1.26 -5.05 118.70 116.54 1h2i s GLU 197 Ca 0.72 -2.23 -0.01 0.00 -0.41 0.00 0.00 54.97 53.03 1h2i s GLU 197 Cb -0.62 -2.64 -0.00 0.00 -1.78 0.00 0.00 34.13 29.09 1h2i s GLU 197 CO 0.43 -1.15 1.02 -1.35 -0.49 0.00 0.00 175.26 173.72 1h2i h PRO 198 N 6.59 -0.01 -0.76 0.39 0.11 -1.98 0.57 132.00 136.91 1h2i h PRO 198 Ca -0.02 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.07 1h2i h PRO 198 Cb 0.91 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.99 1h2i h PRO 198 CO 0.55 -0.01 0.41 0.66 -0.21 0.00 0.00 178.00 179.40 1h2i h SER 199 N -0.01 0.95 0.77 -2.05 4.64 -1.99 -1.59 113.55 114.27 1h2i h SER 199 Ca 0.01 -0.08 -0.04 0.00 -0.47 0.00 0.00 61.79 61.20 1h2i h SER 199 Cb 0.02 -0.24 0.01 0.00 -0.31 0.00 0.00 62.40 61.88 1h2i h SER 199 CO -0.04 0.78 -0.37 0.58 -0.87 0.00 0.00 176.83 176.91 1h2i h VAL 200 N 1.07 0.00 -1.02 0.95 2.07 -1.97 -0.86 116.25 116.50 1h2i h VAL 200 Ca 0.27 -0.23 0.28 0.00 0.82 0.00 0.00 66.70 67.84 1h2i h VAL 200 Cb 0.04 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.76 1h2i h VAL 200 CO -0.04 0.00 0.71 -0.08 0.02 0.00 0.00 177.57 178.18 1h2i h GLU 201 N -1.26 0.14 0.17 1.57 4.57 0.34 0.11 114.58 120.21 1h2i h GLU 201 Ca -0.11 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.06 1h2i h GLU 201 Cb 0.79 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 1h2i h GLU 201 CO 0.17 0.09 -0.08 1.49 -1.18 0.00 0.00 179.01 179.50 1h2i h GLU 202 N 0.14 -0.22 -0.92 1.92 4.81 -1.11 -1.55 114.58 117.66 1h2i h GLU 202 Ca 0.51 0.01 0.10 0.00 -0.13 0.00 0.00 59.36 59.86 1h2i h GLU 202 Cb 1.77 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 31.12 1h2i h GLU 202 CO -0.10 0.20 0.55 0.00 -0.73 0.00 0.00 179.01 178.94 1h2i h ALA 203 N -0.32 1.34 -0.41 2.92 0.00 -0.01 -1.91 119.26 120.86 1h2i h ALA 203 Ca -0.02 0.02 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1h2i h ALA 203 Cb 0.52 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1h2i h ALA 203 CO 0.04 0.18 -0.26 -0.09 0.00 0.00 0.00 179.25 179.12 1h2i h ARG 204 N 0.91 0.90 -0.73 0.00 2.43 -0.90 -2.66 114.38 114.34 1h2i h ARG 204 Ca 0.44 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 59.21 1h2i h ARG 204 Cb 0.40 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.90 1h2i h ARG 204 CO -0.25 1.07 0.47 -0.92 -1.51 0.00 0.00 179.97 178.83 1h2i h TYR 205 N 0.72 0.88 0.00 2.20 3.20 -0.54 -2.77 116.97 120.67 1h2i h TYR 205 Ca 0.08 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.88 1h2i h TYR 205 Cb 0.84 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.80 1h2i h TYR 205 CO 0.06 0.53 -0.48 -0.91 -1.64 0.00 0.00 178.16 175.72 1h2i h ASN 206 N 0.93 0.00 0.00 -2.11 2.35 -1.31 -3.17 115.58 112.28 1h2i h ASN 206 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1h2i h ASN 206 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.33 1h2i h ASN 206 CO -0.09 0.48 0.20 -1.54 -1.65 0.00 0.00 177.43 174.84 1h2i n SER 207 N -3.73 0.39 -1.63 5.81 3.41 -1.01 -0.34 113.62 116.52 1h2i n SER 207 Ca -0.01 0.61 -0.12 0.00 -0.26 0.00 0.00 58.87 59.09 1h2i n SER 207 Cb 0.54 -0.59 0.11 0.00 -0.26 0.00 0.00 64.21 64.00 1h2i n SER 207 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88