#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6i n SER 8 N 0.00 0.98 0.08 4.38 2.88 -1.26 -4.86 113.62 115.83 3h6i n SER 8 Ca 0.00 1.15 -0.09 0.00 -1.33 0.00 0.00 58.87 58.59 3h6i n SER 8 Cb 0.00 -1.00 -0.07 0.00 -0.75 0.00 0.00 64.21 62.40 3h6i n SER 8 CO 0.00 0.00 0.00 -0.65 -1.23 0.00 0.00 175.04 173.16 3h6i h PRO 9 N 4.43 0.14 0.21 -1.46 0.10 -2.05 -2.64 132.00 130.73 3h6i h PRO 9 Ca -0.48 -0.20 -0.01 0.00 0.10 0.00 0.00 66.00 65.42 3h6i h PRO 9 Cb 1.38 0.07 -0.00 0.00 0.10 0.00 0.00 31.00 32.54 3h6i h PRO 9 CO 0.80 1.02 -0.11 0.93 0.10 0.00 0.00 178.00 180.74 3h6i h GLU 10 N 0.06 -0.29 0.37 1.05 4.39 -1.99 -1.93 114.58 116.25 3h6i h GLU 10 Ca -0.05 0.02 -0.02 0.00 0.34 0.00 0.00 59.36 59.65 3h6i h GLU 10 Cb 1.68 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 3h6i h GLU 10 CO 0.15 -0.19 -0.18 0.37 -1.16 0.00 0.00 179.01 177.99 3h6i h GLN 11 N -0.30 -0.48 -0.54 2.33 4.15 -1.94 -2.32 115.11 116.00 3h6i h GLN 11 Ca -0.03 0.03 0.07 0.00 0.77 0.00 0.00 58.65 59.50 3h6i h GLN 11 Cb 0.24 0.11 -0.06 0.00 0.21 0.00 0.00 27.48 27.98 3h6i h GLN 11 CO 0.04 -0.31 0.21 0.00 -1.93 0.00 0.00 178.83 176.84 3h6i h ALA 12 N 0.10 0.68 0.00 3.38 0.00 -1.46 -2.14 119.26 119.82 3h6i h ALA 12 Ca -0.05 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3h6i h ALA 12 Cb 0.40 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 3h6i h ALA 12 CO 0.08 -0.19 -0.38 1.98 0.00 0.00 0.00 179.25 180.75 3h6i h MET 13 N 0.40 0.00 0.21 0.00 4.05 -1.25 -1.99 114.93 116.34 3h6i h MET 13 Ca 0.26 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.36 3h6i h MET 13 Cb 0.28 0.00 0.02 0.00 -0.80 0.00 0.00 31.60 31.11 3h6i h MET 13 CO -0.25 0.38 -1.46 -0.09 0.23 0.00 0.00 176.91 175.71 3h6i h ARG 14 N 0.00 0.44 -0.26 0.39 2.43 -1.02 -2.76 114.38 113.59 3h6i h ARG 14 Ca -0.00 -0.75 -0.15 0.00 -0.81 0.00 0.00 59.98 58.27 3h6i h ARG 14 Cb 0.76 0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.58 3h6i h ARG 14 CO 0.05 1.35 -0.45 0.93 -1.51 0.00 0.00 179.97 180.34 3h6i h GLU 15 N 0.12 0.67 -0.47 0.20 5.08 -1.28 -1.94 114.58 116.96 3h6i h GLU 15 Ca -0.24 -0.37 -0.11 0.00 -1.00 0.00 0.00 59.36 57.64 3h6i h GLU 15 Cb 2.10 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 3h6i h GLU 15 CO 0.24 0.99 -0.14 0.00 -1.00 0.00 0.00 179.01 179.09 3h6i h ARG 16 N 0.54 0.93 -0.90 2.33 3.08 -1.46 -1.46 114.38 117.44 3h6i h ARG 16 Ca 0.03 -0.37 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3h6i h ARG 16 Cb 1.00 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.96 3h6i h ARG 16 CO 0.09 1.03 0.58 0.77 -1.07 0.00 0.00 179.97 181.37 3h6i h SER 17 N 0.78 1.05 -0.25 7.04 0.02 -1.35 -2.08 113.55 118.76 3h6i h SER 17 Ca 0.12 -0.04 -0.12 0.00 -0.84 0.00 0.00 61.79 60.90 3h6i h SER 17 Cb 0.70 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 3h6i h SER 17 CO 0.05 0.78 -0.32 -0.33 -1.14 0.00 0.00 176.83 175.87 3h6i h GLU 18 N 1.23 0.66 -0.94 3.45 4.39 -1.11 -0.59 114.58 121.67 3h6i h GLU 18 Ca 0.33 -0.38 0.05 0.00 0.34 0.00 0.00 59.36 59.70 3h6i h GLU 18 Cb -0.11 0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.51 3h6i h GLU 18 CO -0.07 0.99 0.60 1.25 -1.16 0.00 0.00 179.01 180.62 3h6i h LEU 19 N 0.37 0.98 -0.00 1.33 6.46 -0.94 -0.95 115.31 122.56 3h6i h LEU 19 Ca 0.03 0.00 -0.00 0.00 -0.12 0.00 0.00 57.88 57.79 3h6i h LEU 19 Cb 0.90 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 3h6i h LEU 19 CO 0.08 0.65 -0.01 0.00 -0.62 0.00 0.00 178.44 178.54 3h6i h ALA 20 N 1.41 0.00 -0.64 1.25 0.00 -1.30 -2.95 119.26 117.03 3h6i h ALA 20 Ca 0.39 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3h6i h ALA 20 Cb 0.09 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 3h6i h ALA 20 CO -0.15 -0.17 0.42 -0.09 0.00 0.00 0.00 179.25 179.27 3h6i h ARG 21 N -0.63 0.73 -0.36 0.00 2.43 -0.79 -2.11 114.38 113.65 3h6i h ARG 21 Ca -0.00 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 58.96 3h6i h ARG 21 Cb 0.65 -0.16 -0.00 0.00 -0.42 0.00 0.00 29.97 30.03 3h6i h ARG 21 CO 0.00 0.48 -0.43 0.87 -1.51 0.00 0.00 179.97 179.38 3h6i h LYS 22 N 0.75 0.93 -0.31 0.20 1.57 -1.25 -0.73 116.57 117.73 3h6i h LYS 22 Ca 0.26 -0.51 -0.09 0.00 -1.87 0.00 0.00 60.65 58.44 3h6i h LYS 22 Cb 0.10 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.42 3h6i h LYS 22 CO -0.07 1.16 -0.18 0.78 -0.57 0.00 0.00 179.45 180.57 3h6i h GLY 23 N 0.76 0.60 1.09 3.86 0.00 -1.25 -1.57 103.07 106.55 3h6i h GLY 23 Ca 0.05 -0.45 -0.21 0.00 0.00 0.00 0.00 47.33 46.72 3h6i h GLY 23 CO 0.10 0.42 -0.73 -2.22 0.00 0.00 0.00 176.54 174.11 3h6i h ILE 24 N 0.50 1.30 0.00 2.60 2.04 -1.29 -3.02 117.51 119.64 3h6i h ILE 24 Ca 0.08 -1.97 -0.04 0.00 1.00 0.00 0.00 64.86 63.93 3h6i h ILE 24 Cb 0.59 2.10 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 3h6i h ILE 24 CO 0.04 0.61 -0.19 0.00 0.00 0.00 0.00 178.15 178.61 3h6i h ALA 25 N 0.50 1.49 0.00 1.87 0.00 -0.93 -0.91 119.26 121.27 3h6i h ALA 25 Ca -0.06 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.59 3h6i h ALA 25 Cb 1.37 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.12 3h6i h ALA 25 CO 0.15 0.24 -0.40 -0.09 0.00 0.00 0.00 179.25 179.15 3h6i h ARG 26 N 0.00 0.00 -7.24 0.00 2.43 -1.22 -3.34 114.38 105.01 3h6i h ARG 26 Ca -0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 3h6i h ARG 26 Cb 0.39 0.00 0.06 0.00 -0.42 0.00 0.00 29.97 30.00 3h6i h ARG 26 CO 0.03 0.40 0.26 0.00 -1.51 0.00 0.00 179.97 179.14 3h6i s ALA 27 N -3.16 3.16 0.87 2.80 0.00 -0.91 -4.92 121.76 119.59 3h6i s ALA 27 Ca 0.03 -0.60 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 3h6i s ALA 27 Cb 0.08 -2.74 0.11 0.00 0.00 0.00 0.00 23.12 20.58 3h6i s ALA 27 CO 0.71 -0.94 1.11 0.15 0.00 0.00 0.00 175.76 176.79 3h6i s LYS 28 N -5.13 1.46 0.07 0.00 -0.14 -1.26 -1.92 119.74 112.83 3h6i s LYS 28 Ca 0.56 1.22 -0.03 0.00 -1.36 0.00 0.00 55.97 56.36 3h6i s LYS 28 Cb -0.11 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 3h6i s LYS 28 CO 0.47 -2.21 0.27 -1.12 -0.76 0.00 0.00 175.35 172.00 3h6i s SER 29 N -3.10 6.42 0.02 2.83 0.01 -1.26 -4.06 113.70 114.55 3h6i s SER 29 Ca 0.64 0.42 0.04 0.00 1.31 0.00 0.00 55.95 58.36 3h6i s SER 29 Cb -0.20 -2.02 -0.02 0.00 0.21 0.00 0.00 66.02 63.99 3h6i s SER 29 CO 0.57 0.15 -0.13 -0.69 0.41 0.00 0.00 173.24 173.55 3h6i s VAL 30 N -1.52 1.02 -0.02 3.43 1.01 0.56 -1.96 120.40 122.93 3h6i s VAL 30 Ca 0.35 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.59 3h6i s VAL 30 Cb -0.13 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.36 3h6i s VAL 30 CO 0.25 0.12 -0.12 -0.69 0.00 0.00 0.00 175.10 174.66 3h6i s VAL 31 N -0.60 0.95 -0.07 2.92 1.01 -0.06 -0.44 120.40 124.10 3h6i s VAL 31 Ca 0.03 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.54 3h6i s VAL 31 Cb -0.06 -0.82 0.02 0.00 0.00 0.00 0.00 36.38 35.51 3h6i s VAL 31 CO 0.00 0.28 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 3h6i s ALA 32 N -0.02 1.10 0.02 5.51 0.00 -0.33 -0.85 121.76 127.19 3h6i s ALA 32 Ca -0.00 -0.35 -0.04 0.00 0.00 0.00 0.00 51.96 51.57 3h6i s ALA 32 Cb -0.07 -0.64 -0.01 0.00 0.00 0.00 0.00 23.12 22.39 3h6i s ALA 32 CO 0.00 -0.11 0.07 -0.48 0.00 0.00 0.00 175.76 175.24 3h6i s LEU 33 N 1.11 1.87 0.08 0.00 0.05 -0.20 -0.53 118.68 121.06 3h6i s LEU 33 Ca -0.07 -0.44 -0.26 0.00 0.05 0.00 0.00 54.13 53.41 3h6i s LEU 33 Cb -0.14 0.47 -0.06 0.00 -2.05 0.00 0.00 46.19 44.41 3h6i s LEU 33 CO -0.01 -0.41 0.81 0.00 -0.55 0.00 0.00 176.35 176.19 3h6i s ALA 34 N -1.94 3.35 0.00 1.48 0.00 -0.75 -0.73 121.76 123.17 3h6i s ALA 34 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3h6i s ALA 34 Cb -0.05 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 20.01 3h6i s ALA 34 CO -0.02 0.07 0.00 2.48 0.00 0.00 0.00 175.76 178.29 3h6i n TYR 35 N 2.66 0.00 -0.05 0.00 0.18 -0.65 -4.73 117.16 114.56 3h6i n TYR 35 Ca -0.02 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.65 3h6i n TYR 35 Cb 0.50 0.00 -0.06 0.00 -0.38 0.00 0.00 39.34 39.40 3h6i n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3h6i h ALA 36 N 1.00 0.22 -0.23 -3.48 0.00 -1.41 -3.23 119.26 112.13 3h6i h ALA 36 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3h6i h ALA 36 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3h6i h ALA 36 CO 0.00 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.60 3h6i n GLY 37 N -0.25 0.30 0.00 0.00 0.00 -1.26 -5.02 105.19 98.95 3h6i n GLY 37 Ca -0.05 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3h6i n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6i n GLY 38 N 1.04 0.50 3.25 -0.02 0.00 -1.22 -1.11 105.19 107.63 3h6i n GLY 38 Ca 0.13 -0.75 -0.25 0.00 0.00 0.00 0.00 46.02 45.16 3h6i n GLY 38 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3h6i s VAL 39 N 0.00 1.65 -0.07 1.61 1.01 -0.72 -1.64 120.40 122.23 3h6i s VAL 39 Ca 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 61.98 60.73 3h6i s VAL 39 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 36.38 34.93 3h6i s VAL 39 CO 0.00 0.11 -0.19 -0.22 0.00 0.00 0.00 175.10 174.80 3h6i s LEU 40 N -1.40 1.91 -0.14 3.92 2.96 0.09 -0.99 118.68 125.03 3h6i s LEU 40 Ca 0.07 -0.42 -0.00 0.00 -0.22 0.00 0.00 54.13 53.55 3h6i s LEU 40 Cb -0.09 -1.11 -0.01 0.00 0.50 0.00 0.00 46.19 45.47 3h6i s LEU 40 CO 0.02 0.13 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.69 3h6i s PHE 41 N 0.29 2.81 -0.06 5.38 0.08 0.66 -1.03 117.98 126.11 3h6i s PHE 41 Ca -0.12 -0.75 -0.00 0.00 0.12 0.00 0.00 56.93 56.18 3h6i s PHE 41 Cb -0.15 -1.86 0.02 0.00 -0.57 0.00 0.00 43.02 40.46 3h6i s PHE 41 CO 0.05 -0.29 -0.03 0.08 -0.10 0.00 0.00 175.22 174.93 3h6i s VAL 42 N 0.50 0.53 0.04 -0.44 1.01 -0.03 -1.81 120.40 120.19 3h6i s VAL 42 Ca -0.09 -0.05 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3h6i s VAL 42 Cb -0.16 -0.60 -0.02 0.00 0.00 0.00 0.00 36.38 35.60 3h6i s VAL 42 CO 0.04 0.25 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 3h6i s ALA 43 N 1.40 0.71 -0.49 5.51 0.00 -0.35 -0.88 121.76 127.65 3h6i s ALA 43 Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 51.96 50.93 3h6i s ALA 43 Cb -0.13 -0.03 0.03 0.00 0.00 0.00 0.00 23.12 22.98 3h6i s ALA 43 CO -0.03 0.06 1.21 -1.21 0.00 0.00 0.00 175.76 175.79 3h6i s GLU 44 N -1.29 3.64 -0.27 0.00 2.02 -0.83 -1.28 118.70 120.70 3h6i s GLU 44 Ca -0.05 0.57 -0.02 0.00 0.02 0.00 0.00 54.97 55.49 3h6i s GLU 44 Cb -0.08 -3.96 0.12 0.00 0.10 0.00 0.00 34.13 30.31 3h6i s GLU 44 CO 0.01 -1.50 0.28 1.21 0.02 0.00 0.00 175.26 175.27 3h6i s ASN 45 N 2.90 1.59 0.43 -0.19 2.47 0.59 -4.69 114.94 118.05 3h6i s ASN 45 Ca 0.50 -0.59 0.22 0.00 0.42 0.00 0.00 52.86 53.40 3h6i s ASN 45 Cb -0.08 0.49 0.93 0.00 -1.45 0.00 0.00 41.25 41.13 3h6i s ASN 45 CO 0.31 -0.37 1.85 1.55 -3.72 0.00 0.00 177.10 176.71 3h6i h PRO 46 N 8.27 0.00 -6.92 0.43 0.13 -1.77 -3.18 132.00 128.97 3h6i h PRO 46 Ca -0.15 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.47 3h6i h PRO 46 Cb 1.10 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.27 3h6i h PRO 46 CO 0.32 0.27 0.51 0.45 -0.23 0.00 0.00 178.00 179.33 3h6i s SER 47 N -6.36 6.66 0.06 1.44 0.15 -1.26 -4.84 113.70 109.55 3h6i s SER 47 Ca -0.01 2.36 0.22 0.00 0.70 0.00 0.00 55.95 59.23 3h6i s SER 47 Cb 0.12 -2.62 -0.08 0.00 -1.71 0.00 0.00 66.02 61.73 3h6i s SER 47 CO 0.65 -0.58 0.88 -2.11 1.20 0.00 0.00 173.24 173.29 3h6i n ARG 48 N 0.30 0.44 0.00 5.44 1.85 -1.26 -4.59 116.66 118.84 3h6i n ARG 48 Ca 0.03 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 3h6i n ARG 48 Cb 0.46 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 30.25 3h6i n ARG 48 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 3h6i n SER 49 N -2.16 4.83 -4.40 2.89 3.41 -1.26 -4.93 113.62 112.00 3h6i n SER 49 Ca 0.00 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.16 3h6i n SER 49 Cb 0.49 0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 65.20 3h6i n SER 49 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h6i s LEU 50 N -3.26 5.48 0.22 1.04 1.43 -1.26 -5.04 118.68 117.29 3h6i s LEU 50 Ca 0.00 -1.88 -0.27 0.00 -1.03 0.00 0.00 54.13 50.95 3h6i s LEU 50 Cb 0.00 -2.33 -0.09 0.00 0.03 0.00 0.00 46.19 43.81 3h6i s LEU 50 CO 0.00 -1.01 0.87 -1.10 0.23 0.00 0.00 176.35 175.34 3h6i s GLN 51 N 2.27 4.70 -0.01 1.70 -0.21 -1.26 -4.84 119.66 122.01 3h6i s GLN 51 Ca 0.21 1.33 0.12 0.00 0.02 0.00 0.00 55.36 57.04 3h6i s GLN 51 Cb -0.14 -3.20 -0.16 0.00 1.00 0.00 0.00 33.01 30.51 3h6i s GLN 51 CO -0.02 0.51 0.40 1.63 -2.12 0.00 0.00 175.29 175.68 3h6i n LYS 52 N 1.38 1.66 -5.30 2.91 5.02 -1.26 -4.97 118.16 117.60 3h6i n LYS 52 Ca -0.03 -0.06 -0.31 0.00 -2.02 0.00 0.00 58.31 55.89 3h6i n LYS 52 Cb 0.48 -1.19 -0.16 0.00 -0.02 0.00 0.00 35.03 34.14 3h6i n LYS 52 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3h6i s ILE 53 N -2.52 2.06 0.10 -0.18 1.01 -1.26 -1.03 121.20 119.38 3h6i s ILE 53 Ca -0.00 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 3h6i s ILE 53 Cb 0.09 -1.71 0.06 0.00 0.01 0.00 0.00 42.46 40.91 3h6i s ILE 53 CO 0.51 0.58 0.56 -0.55 0.00 0.00 0.00 174.94 176.04 3h6i s SER 54 N -0.56 -0.50 0.39 3.58 0.15 0.46 -4.99 113.70 112.23 3h6i s SER 54 Ca 0.09 0.08 -0.25 0.00 0.70 0.00 0.00 55.95 56.57 3h6i s SER 54 Cb -0.10 0.55 -0.09 0.00 -1.71 0.00 0.00 66.02 64.67 3h6i s SER 54 CO -0.00 -0.85 1.09 -0.70 1.20 0.00 0.00 173.24 173.98 3h6i s GLU 55 N -3.14 4.15 -0.03 5.44 2.12 -1.26 -0.18 118.70 125.81 3h6i s GLU 55 Ca -0.02 1.65 -0.04 0.00 0.36 0.00 0.00 54.97 56.92 3h6i s GLU 55 Cb -0.00 -2.63 -0.02 0.00 0.26 0.00 0.00 34.13 31.73 3h6i s GLU 55 CO -0.07 -0.19 -0.10 1.28 -0.54 0.00 0.00 175.26 175.64 3h6i n LEU 56 N 0.06 0.96 0.00 2.70 4.77 -0.51 -4.77 117.00 120.21 3h6i n LEU 56 Ca 0.04 0.15 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 3h6i n LEU 56 Cb 0.48 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 3h6i n LEU 56 CO 0.48 -0.25 0.02 0.00 -1.33 0.00 0.00 177.39 176.31 3h6i n TYR 57 N -3.56 -0.56 -0.16 -1.77 9.36 -0.96 -4.71 117.16 114.80 3h6i n TYR 57 Ca -0.09 -0.38 -0.05 0.00 3.32 0.00 0.00 57.90 60.69 3h6i n TYR 57 Cb 0.37 0.08 0.04 0.00 -0.63 0.00 0.00 39.34 39.20 3h6i n TYR 57 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3h6i h ASP 58 N 0.32 0.40 -0.18 2.98 3.32 -1.94 -2.95 116.42 118.36 3h6i h ASP 58 Ca -0.04 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3h6i h ASP 58 Cb 0.19 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 39.68 3h6i h ASP 58 CO 0.06 0.28 0.00 0.54 -1.72 0.00 0.00 179.24 178.40 3h6i n ARG 59 N -4.86 1.80 -5.02 3.56 5.12 -1.26 -1.19 116.66 114.81 3h6i n ARG 59 Ca 0.03 -1.60 -0.32 0.00 -1.93 0.00 0.00 57.85 54.03 3h6i n ARG 59 Cb 0.10 -1.21 -0.15 0.00 -1.16 0.00 0.00 32.46 30.04 3h6i n ARG 59 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 3h6i s VAL 60 N -0.92 2.61 0.35 1.55 1.01 -1.12 -2.23 120.40 121.65 3h6i s VAL 60 Ca 0.16 -0.86 0.08 0.00 0.00 0.00 0.00 61.98 61.37 3h6i s VAL 60 Cb 0.10 -2.02 -0.07 0.00 0.00 0.00 0.00 36.38 34.39 3h6i s VAL 60 CO 0.13 0.56 -0.06 -0.83 0.00 0.00 0.00 175.10 174.90 3h6i s GLY 61 N -0.11 2.23 0.03 4.51 0.00 0.14 -1.43 107.32 112.69 3h6i s GLY 61 Ca -0.03 -2.13 0.04 0.00 0.00 0.00 0.00 44.72 42.60 3h6i s GLY 61 CO 0.04 -2.02 -0.11 -0.12 0.00 0.00 0.00 173.10 170.89 3h6i s PHE 62 N -2.70 0.93 -0.17 1.90 2.19 0.75 -1.52 117.98 119.35 3h6i s PHE 62 Ca 0.33 -0.35 -0.14 0.00 0.33 0.00 0.00 56.93 57.10 3h6i s PHE 62 Cb 0.05 -0.55 0.05 0.00 -1.31 0.00 0.00 43.02 41.25 3h6i s PHE 62 CO 0.16 -0.01 0.45 0.00 1.83 0.00 0.00 175.22 177.66 3h6i s ALA 63 N -0.90 -1.13 0.06 11.12 0.00 -0.34 -0.41 121.76 130.17 3h6i s ALA 63 Ca -0.02 1.39 -0.04 0.00 0.00 0.00 0.00 51.96 53.29 3h6i s ALA 63 Cb -0.08 -0.82 -0.02 0.00 0.00 0.00 0.00 23.12 22.20 3h6i s ALA 63 CO 0.01 -0.23 0.06 0.00 0.00 0.00 0.00 175.76 175.59 3h6i s ALA 64 N 0.61 0.18 0.01 0.00 0.00 -0.20 -0.23 121.76 122.14 3h6i s ALA 64 Ca -0.03 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.03 3h6i s ALA 64 Cb -0.05 0.34 -0.01 0.00 0.00 0.00 0.00 23.12 23.40 3h6i s ALA 64 CO -0.04 -0.41 -0.08 0.00 0.00 0.00 0.00 175.76 175.24 3h6i s ALA 65 N -3.71 0.61 0.00 0.00 0.00 -0.57 -4.85 121.76 113.25 3h6i s ALA 65 Ca 0.05 -0.47 0.00 0.00 0.00 0.00 0.00 51.96 51.53 3h6i s ALA 65 Cb 0.06 -0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.09 3h6i s ALA 65 CO -0.10 0.10 0.00 0.41 0.00 0.00 0.00 175.76 176.17 3h6i n GLY 66 N 2.40 0.46 3.64 0.00 0.00 -1.26 -1.21 105.19 109.22 3h6i n GLY 66 Ca -0.16 -1.83 -0.43 0.00 0.00 0.00 0.00 46.02 43.60 3h6i n GLY 66 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3h6i s LYS 67 N -0.91 3.99 0.15 1.61 2.20 -0.48 -4.91 119.74 121.39 3h6i s LYS 67 Ca 0.00 1.47 -0.28 0.00 -0.36 0.00 0.00 55.97 56.80 3h6i s LYS 67 Cb 0.00 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.41 3h6i s LYS 67 CO 0.00 -1.02 1.57 0.35 -0.36 0.00 0.00 175.35 175.88 3h6i h PHE 68 N 9.25 -1.35 -0.74 4.03 3.57 -1.96 -1.83 116.94 127.91 3h6i h PHE 68 Ca -0.28 0.07 0.21 0.00 3.53 0.00 0.00 57.97 61.50 3h6i h PHE 68 Cb 1.11 0.64 -0.03 0.00 2.79 0.00 0.00 35.95 40.46 3h6i h PHE 68 CO 0.86 -0.46 0.53 -2.95 -2.23 0.00 0.00 178.31 174.07 3h6i h ASN 69 N -0.36 0.04 0.17 0.41 7.08 -1.99 -0.40 115.58 120.53 3h6i h ASN 69 Ca 0.12 0.00 -0.23 0.00 -3.08 0.00 0.00 56.30 53.11 3h6i h ASN 69 Cb 0.59 -0.00 0.02 0.00 -2.08 0.00 0.00 38.32 36.85 3h6i h ASN 69 CO -0.57 0.02 -1.05 -0.33 -2.08 0.00 0.00 177.43 173.42 3h6i h GLU 70 N 0.04 0.36 0.00 4.14 5.08 -1.77 -3.04 114.58 119.40 3h6i h GLU 70 Ca 0.35 -0.62 -0.05 0.00 -1.00 0.00 0.00 59.36 58.05 3h6i h GLU 70 Cb 1.36 0.23 -0.01 0.00 0.50 0.00 0.00 28.75 30.84 3h6i h GLU 70 CO -0.02 1.30 -0.22 0.27 -1.00 0.00 0.00 179.01 179.34 3h6i h PHE 71 N -0.22 0.00 -0.02 4.33 -5.15 -0.82 -2.91 116.94 112.15 3h6i h PHE 71 Ca -0.19 0.00 -0.18 0.00 -0.20 0.00 0.00 57.97 57.40 3h6i h PHE 71 Cb 1.80 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.96 3h6i h PHE 71 CO 0.17 0.22 -0.80 0.22 -2.00 0.00 0.00 178.31 176.12 3h6i h ASP 72 N 0.00 0.25 -0.75 -0.68 3.58 -1.21 0.12 116.42 117.74 3h6i h ASP 72 Ca -0.00 -0.19 -0.02 0.00 0.42 0.00 0.00 57.03 57.24 3h6i h ASP 72 Cb 1.13 -0.08 -0.03 0.00 1.72 0.00 0.00 39.33 42.06 3h6i h ASP 72 CO 0.03 0.95 0.38 -1.13 -2.88 0.00 0.00 179.24 176.59 3h6i h ASN 73 N 0.12 0.96 -0.36 2.28 -1.24 -1.44 0.36 115.58 116.26 3h6i h ASN 73 Ca -0.03 -0.12 -0.17 0.00 0.71 0.00 0.00 56.30 56.69 3h6i h ASN 73 Cb 1.40 -0.25 -0.00 0.00 0.73 0.00 0.00 38.32 40.20 3h6i h ASN 73 CO 0.12 0.81 -0.44 -0.07 -1.29 0.00 0.00 177.43 176.56 3h6i h LEU 74 N 1.04 1.00 0.23 0.34 3.38 -1.31 -1.53 115.31 118.47 3h6i h LEU 74 Ca 0.26 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3h6i h LEU 74 Cb 0.08 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3h6i h LEU 74 CO -0.04 1.29 -0.20 -0.09 0.09 0.00 0.00 178.44 179.49 3h6i h ARG 75 N 0.74 -0.44 -0.44 1.13 2.43 -0.33 0.55 114.38 118.03 3h6i h ARG 75 Ca 0.05 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 3h6i h ARG 75 Cb 1.04 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.64 3h6i h ARG 75 CO 0.10 -0.29 0.16 0.00 -1.51 0.00 0.00 179.97 178.44 3h6i h ARG 76 N -0.45 0.33 -0.38 0.20 3.08 -0.91 -2.11 114.38 114.13 3h6i h ARG 76 Ca -0.01 -0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.02 3h6i h ARG 76 Cb 0.41 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3h6i h ARG 76 CO -0.03 0.22 0.22 0.78 -1.07 0.00 0.00 179.97 180.09 3h6i h GLY 77 N 0.34 0.55 1.46 0.04 0.00 -0.92 -2.18 103.07 102.35 3h6i h GLY 77 Ca 0.20 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 47.15 3h6i h GLY 77 CO -0.20 0.22 -0.54 -1.33 0.00 0.00 0.00 176.54 174.69 3h6i h GLY 78 N 0.58 0.62 1.52 4.60 0.00 -0.23 -1.74 103.07 108.42 3h6i h GLY 78 Ca 0.14 -0.71 -0.11 0.00 0.00 0.00 0.00 47.33 46.65 3h6i h GLY 78 CO -0.02 0.64 -0.29 -2.22 0.00 0.00 0.00 176.54 174.64 3h6i h ILE 79 N 0.44 1.28 -0.15 2.60 2.04 -1.15 -0.08 117.51 122.48 3h6i h ILE 79 Ca 0.01 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.49 3h6i h ILE 79 Cb 1.08 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 3h6i h ILE 79 CO 0.10 0.44 0.06 -0.61 0.00 0.00 0.00 178.15 178.14 3h6i h GLN 80 N 0.47 0.22 -0.16 2.37 4.15 -1.24 -1.19 115.11 119.73 3h6i h GLN 80 Ca 0.06 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3h6i h GLN 80 Cb 0.75 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.40 3h6i h GLN 80 CO 0.06 0.30 -0.04 0.35 -1.93 0.00 0.00 178.83 177.57 3h6i h PHE 81 N 0.09 0.35 -0.34 3.99 3.57 -1.18 -2.48 116.94 120.94 3h6i h PHE 81 Ca 0.05 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.48 3h6i h PHE 81 Cb 0.16 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 3h6i h PHE 81 CO -0.02 0.58 0.22 0.00 -2.23 0.00 0.00 178.31 176.87 3h6i h ALA 82 N 0.72 0.43 -0.40 2.41 0.00 -0.97 -1.42 119.26 120.02 3h6i h ALA 82 Ca 0.04 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 3h6i h ALA 82 Cb 0.47 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3h6i h ALA 82 CO 0.02 -0.12 -0.10 -0.44 0.00 0.00 0.00 179.25 178.61 3h6i h ASP 83 N 0.45 0.69 -0.24 0.00 3.32 -1.25 -0.43 116.42 118.96 3h6i h ASP 83 Ca 0.13 -0.19 -0.10 0.00 0.02 0.00 0.00 57.03 56.88 3h6i h ASP 83 Cb -0.05 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 39.32 3h6i h ASP 83 CO -0.03 0.82 -0.24 0.74 -1.72 0.00 0.00 179.24 178.80 3h6i h THR 84 N 0.64 1.32 -0.33 0.35 2.02 -1.34 -2.40 112.91 113.17 3h6i h THR 84 Ca 0.11 -1.41 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 3h6i h THR 84 Cb 0.54 1.69 -0.01 0.00 -1.74 0.00 0.00 68.15 68.63 3h6i h THR 84 CO 0.03 0.44 0.07 0.03 0.37 0.00 0.00 175.52 176.46 3h6i h ARG 85 N 0.29 0.53 0.00 6.66 2.47 -1.00 -0.74 114.38 122.58 3h6i h ARG 85 Ca 0.04 -0.13 -0.05 0.00 -1.26 0.00 0.00 59.98 58.57 3h6i h ARG 85 Cb 0.80 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.05 3h6i h ARG 85 CO 0.06 0.60 -0.26 0.78 0.56 0.00 0.00 179.97 181.71 3h6i h GLY 86 N 0.37 0.00 1.25 0.04 0.00 -1.10 0.54 103.07 104.17 3h6i h GLY 86 Ca 0.10 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 47.09 3h6i h GLY 86 CO 0.00 0.00 -1.50 -1.82 0.00 0.00 0.00 176.54 173.22 3h6i h TYR 87 N 0.00 0.95 0.00 5.60 3.20 -1.09 -3.15 116.97 122.48 3h6i h TYR 87 Ca -0.00 -0.69 -0.06 0.00 3.14 0.00 0.00 58.73 61.11 3h6i h TYR 87 Cb 0.53 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.76 3h6i h TYR 87 CO 0.00 1.57 -0.28 0.00 -1.64 0.00 0.00 178.16 177.80 3h6i h ALA 88 N 0.17 0.87 -3.00 1.82 0.00 -0.87 -3.44 119.26 114.81 3h6i h ALA 88 Ca -0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3h6i h ALA 88 Cb 2.16 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.91 3h6i h ALA 88 CO 0.27 0.35 0.00 0.66 0.00 0.00 0.00 179.25 180.53 3h6i n TYR 89 N -3.25 0.00 -3.92 0.00 4.01 0.16 -5.08 117.16 109.08 3h6i n TYR 89 Ca 0.02 0.00 -0.10 0.00 -0.16 0.00 0.00 57.90 57.66 3h6i n TYR 89 Cb 0.57 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.54 3h6i n TYR 89 CO 0.00 0.00 0.00 0.16 -0.46 0.00 0.00 176.86 176.56 3h6i s ASP 90 N 0.98 -0.04 0.50 7.72 1.47 -1.19 -4.98 116.67 121.13 3h6i s ASP 90 Ca 0.00 -0.80 0.20 0.00 1.18 0.00 0.00 52.55 53.13 3h6i s ASP 90 Cb 0.00 0.48 1.28 0.00 -0.34 0.00 0.00 42.92 44.34 3h6i s ASP 90 CO 0.00 -0.96 2.08 0.03 0.68 0.00 0.00 175.17 177.01 3h6i h ARG 91 N 2.44 0.00 0.00 2.11 3.08 -1.91 -2.31 114.38 117.79 3h6i h ARG 91 Ca -0.30 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.75 3h6i h ARG 91 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 3h6i h ARG 91 CO 0.44 0.11 0.00 -2.13 -1.07 0.00 0.00 179.97 177.32 3h6i n ARG 92 N -4.14 0.16 0.19 0.04 0.63 -1.26 -2.76 116.66 109.52 3h6i n ARG 92 Ca -0.03 0.33 0.04 0.00 -0.92 0.00 0.00 57.85 57.27 3h6i n ARG 92 Cb 0.19 -1.78 0.39 0.00 0.45 0.00 0.00 32.46 31.72 3h6i n ARG 92 CO 0.00 0.00 0.00 0.22 -2.51 0.00 0.00 177.63 175.34 3h6i h ASP 93 N 0.00 0.00 -3.19 6.15 3.58 -1.78 -3.42 116.42 117.76 3h6i h ASP 93 Ca 0.00 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.89 3h6i h ASP 93 Cb 0.43 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.44 3h6i h ASP 93 CO 0.00 0.35 0.65 -0.69 -2.88 0.00 0.00 179.24 176.67 3h6i s VAL 94 N -4.15 4.72 0.15 2.25 1.01 -1.11 -4.92 120.40 118.34 3h6i s VAL 94 Ca -0.03 2.01 -0.03 0.00 0.00 0.00 0.00 61.98 63.93 3h6i s VAL 94 Cb 0.14 -4.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 3h6i s VAL 94 CO 0.71 -0.05 0.13 0.42 0.00 0.00 0.00 175.10 176.30 3h6i s THR 95 N 2.41 0.08 0.15 3.92 -4.23 -1.26 -4.94 115.64 111.78 3h6i s THR 95 Ca 0.48 -1.77 -0.13 0.00 -1.18 0.00 0.00 61.69 59.08 3h6i s THR 95 Cb -0.18 -2.03 0.03 0.00 1.34 0.00 0.00 72.50 71.66 3h6i s THR 95 CO 0.14 -0.37 1.64 1.23 -0.54 0.00 0.00 174.62 176.73 3h6i h GLY 96 N 2.75 0.89 0.59 3.99 0.00 -1.93 -2.23 103.07 107.13 3h6i h GLY 96 Ca -0.34 -0.58 0.07 0.00 0.00 0.00 0.00 47.33 46.47 3h6i h GLY 96 CO 0.55 0.54 0.29 -0.09 0.00 0.00 0.00 176.54 177.84 3h6i h ARG 97 N 0.71 0.52 -0.66 4.80 1.12 -1.96 0.46 114.38 119.36 3h6i h ARG 97 Ca 0.16 -0.03 -0.03 0.00 -1.11 0.00 0.00 59.98 58.97 3h6i h ARG 97 Cb 0.38 -0.12 -0.03 0.00 -0.01 0.00 0.00 29.97 30.19 3h6i h ARG 97 CO 0.01 0.34 0.30 0.37 -3.11 0.00 0.00 179.97 177.88 3h6i h GLN 98 N 0.54 0.97 -0.20 0.20 4.15 -1.87 -0.65 115.11 118.25 3h6i h GLN 98 Ca 0.28 -0.15 -0.21 0.00 0.77 0.00 0.00 58.65 59.34 3h6i h GLN 98 Cb 0.24 -0.17 0.01 0.00 0.21 0.00 0.00 27.48 27.77 3h6i h GLN 98 CO -0.22 0.78 -0.69 -0.07 -1.93 0.00 0.00 178.83 176.71 3h6i h LEU 99 N 0.93 0.96 -0.46 -2.39 3.38 -0.72 -1.45 115.31 115.55 3h6i h LEU 99 Ca 0.23 -0.59 0.04 0.00 0.09 0.00 0.00 57.88 57.64 3h6i h LEU 99 Cb 0.15 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 3h6i h LEU 99 CO -0.03 1.39 0.23 0.00 0.09 0.00 0.00 178.44 180.12 3h6i h ALA 100 N 0.60 0.58 -0.38 1.53 0.00 0.02 0.09 119.26 121.69 3h6i h ALA 100 Ca -0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.93 3h6i h ALA 100 Cb 1.31 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 3h6i h ALA 100 CO 0.15 -0.12 0.20 -0.97 0.00 0.00 0.00 179.25 178.50 3h6i h ASN 101 N 0.46 0.31 -0.54 0.00 -0.73 -1.04 0.15 115.58 114.18 3h6i h ASN 101 Ca 0.20 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.34 3h6i h ASN 101 Cb 0.11 -0.05 -0.03 0.00 0.27 0.00 0.00 38.32 38.63 3h6i h ASN 101 CO -0.14 0.22 0.20 0.58 -0.37 0.00 0.00 177.43 177.92 3h6i h VAL 102 N 0.41 1.22 -0.46 2.57 2.07 -0.85 -1.65 116.25 119.57 3h6i h VAL 102 Ca 0.16 -0.73 -0.14 0.00 0.82 0.00 0.00 66.70 66.81 3h6i h VAL 102 Cb 0.05 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3h6i h VAL 102 CO -0.10 0.28 -0.26 1.88 0.02 0.00 0.00 177.57 179.39 3h6i h TYR 103 N 0.85 1.13 -0.87 1.57 0.05 -0.32 -1.93 116.97 117.46 3h6i h TYR 103 Ca 0.20 -0.29 0.03 0.00 0.05 0.00 0.00 58.73 58.72 3h6i h TYR 103 Cb 0.22 -0.26 -0.05 0.00 1.01 0.00 0.00 36.73 37.65 3h6i h TYR 103 CO 0.01 1.12 0.56 0.00 -1.05 0.00 0.00 178.16 178.80 3h6i h ALA 104 N 0.86 1.14 -0.34 3.88 0.00 -0.32 0.19 119.26 124.67 3h6i h ALA 104 Ca 0.10 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 3h6i h ALA 104 Cb 0.85 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3h6i h ALA 104 CO 0.07 0.41 -0.45 1.96 0.00 0.00 0.00 179.25 181.25 3h6i h GLN 105 N 1.10 0.90 -0.04 0.00 1.08 -1.23 -0.91 115.11 116.01 3h6i h GLN 105 Ca 0.34 -0.51 -0.01 0.00 -1.45 0.00 0.00 58.65 57.02 3h6i h GLN 105 Cb -0.01 0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.46 3h6i h GLN 105 CO -0.11 1.16 -0.03 1.15 -0.95 0.00 0.00 178.83 180.05 3h6i h THR 106 N 0.72 1.36 -0.47 -0.54 2.02 -0.84 -1.53 112.91 113.63 3h6i h THR 106 Ca 0.04 -1.12 -0.07 0.00 0.77 0.00 0.00 66.41 66.03 3h6i h THR 106 Cb 1.05 2.02 -0.02 0.00 -1.74 0.00 0.00 68.15 69.46 3h6i h THR 106 CO 0.11 0.30 -0.01 -0.07 0.37 0.00 0.00 175.52 176.22 3h6i h LEU 107 N -0.34 0.76 -0.76 2.58 3.38 -0.66 -1.41 115.31 118.86 3h6i h LEU 107 Ca 0.01 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3h6i h LEU 107 Cb 0.50 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 3h6i h LEU 107 CO 0.01 0.83 0.35 1.23 0.09 0.00 0.00 178.44 180.95 3h6i h GLY 108 N 0.97 1.19 1.22 0.83 0.00 -1.10 0.43 103.07 106.62 3h6i h GLY 108 Ca 0.14 -0.61 -0.17 0.00 0.00 0.00 0.00 47.33 46.70 3h6i h GLY 108 CO 0.02 0.58 -0.46 -0.84 0.00 0.00 0.00 176.54 175.84 3h6i h THR 109 N 1.08 1.28 -0.10 4.70 2.02 -1.01 0.16 112.91 121.05 3h6i h THR 109 Ca 0.26 -1.64 -0.01 0.00 0.77 0.00 0.00 66.41 65.79 3h6i h THR 109 Cb 0.15 1.51 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 3h6i h THR 109 CO -0.03 0.54 0.03 0.40 0.37 0.00 0.00 175.52 176.83 3h6i h ILE 110 N 0.67 1.17 -0.39 3.11 2.04 -0.61 0.85 117.51 124.36 3h6i h ILE 110 Ca 0.04 -0.53 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 3h6i h ILE 110 Cb 1.04 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 38.45 3h6i h ILE 110 CO 0.10 0.15 0.20 0.15 0.00 0.00 0.00 178.15 178.76 3h6i h PHE 111 N -0.03 0.54 -0.15 1.37 3.57 -0.86 0.43 116.94 121.80 3h6i h PHE 111 Ca 0.03 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3h6i h PHE 111 Cb 0.22 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 3h6i h PHE 111 CO -0.00 0.43 0.01 1.15 -2.23 0.00 0.00 178.31 177.67 3h6i h THR 112 N 0.49 1.23 0.00 4.41 2.02 -0.74 -3.40 112.91 116.93 3h6i h THR 112 Ca 0.13 -0.76 -0.37 0.00 0.77 0.00 0.00 66.41 66.18 3h6i h THR 112 Cb 0.08 1.45 -0.07 0.00 -1.74 0.00 0.00 68.15 67.87 3h6i h THR 112 CO -0.02 0.23 -2.37 -0.62 0.37 0.00 0.00 175.52 173.11 3h6i n GLU 113 N -4.78 0.68 -2.11 6.66 -0.58 0.29 -5.02 120.64 115.79 3h6i n GLU 113 Ca -0.05 0.06 -0.28 0.00 -0.42 0.00 0.00 57.16 56.47 3h6i n GLU 113 Cb 0.19 -1.54 0.05 0.00 -0.57 0.00 0.00 31.44 29.58 3h6i n GLU 113 CO 0.00 0.00 0.00 -0.65 -0.48 0.00 0.00 177.13 176.00 3h6i s GLN 114 N -2.51 2.59 0.13 3.49 -0.21 0.15 -5.00 119.66 118.30 3h6i s GLN 114 Ca -0.17 0.11 -0.16 0.00 0.02 0.00 0.00 55.36 55.16 3h6i s GLN 114 Cb 0.07 -2.11 -0.01 0.00 1.00 0.00 0.00 33.01 31.95 3h6i s GLN 114 CO 0.76 -1.07 1.69 0.00 -2.12 0.00 0.00 175.29 174.55 3h6i h ALA 115 N -0.57 0.50 -3.83 6.09 0.00 -1.94 -3.43 119.26 116.08 3h6i h ALA 115 Ca -0.45 -0.12 -0.66 0.00 0.00 0.00 0.00 54.91 53.68 3h6i h ALA 115 Cb 1.28 -0.15 -0.32 0.00 0.00 0.00 0.00 17.79 18.60 3h6i h ALA 115 CO 0.63 0.08 -0.87 0.21 0.00 0.00 0.00 179.25 179.30 3h6i s LYS 116 N -5.61 2.48 0.69 0.00 2.20 -1.26 -5.13 119.74 113.11 3h6i s LYS 116 Ca -0.13 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 54.52 3h6i s LYS 116 Cb 0.10 -2.05 0.01 0.00 -1.51 0.00 0.00 37.83 34.38 3h6i s LYS 116 CO 0.75 0.30 1.08 -1.25 -0.36 0.00 0.00 175.35 175.86 3h6i s PRO 117 N 0.01 2.81 0.08 4.03 0.04 -1.26 -4.90 135.00 135.81 3h6i s PRO 117 Ca -0.07 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 61.81 3h6i s PRO 117 Cb -0.14 -1.97 -0.06 0.00 0.04 0.00 0.00 34.50 32.37 3h6i s PRO 117 CO 0.05 -1.21 1.26 0.71 0.04 0.00 0.00 177.00 177.84 3h6i s TYR 118 N -2.75 3.38 -1.34 0.56 1.51 -1.26 -4.86 117.35 112.59 3h6i s TYR 118 Ca 0.62 1.20 -0.08 0.00 -1.01 0.00 0.00 57.07 57.80 3h6i s TYR 118 Cb -0.16 -3.50 0.12 0.00 -0.11 0.00 0.00 41.96 38.30 3h6i s TYR 118 CO 0.49 -1.61 2.19 0.39 -1.11 0.00 0.00 175.55 175.90 3h6i n GLU 119 N 3.87 3.96 -4.10 -0.62 1.02 -1.26 -4.72 120.64 118.79 3h6i n GLU 119 Ca 0.09 -3.32 -0.08 0.00 -0.02 0.00 0.00 57.16 53.83 3h6i n GLU 119 Cb 0.45 -2.82 -0.10 0.00 -0.02 0.00 0.00 31.44 28.95 3h6i n GLU 119 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 3h6i s VAL 120 N 0.11 0.24 -0.05 2.62 -7.23 -1.26 -1.38 120.40 113.46 3h6i s VAL 120 Ca 0.48 -1.83 -0.02 0.00 -1.81 0.00 0.00 61.98 58.80 3h6i s VAL 120 Cb 0.14 -1.61 0.04 0.00 0.56 0.00 0.00 36.38 35.51 3h6i s VAL 120 CO -0.05 -0.92 0.09 -0.70 -0.31 0.00 0.00 175.10 173.22 3h6i s GLU 121 N -3.93 0.02 0.13 4.82 2.12 -0.35 -3.00 118.70 118.51 3h6i s GLU 121 Ca 0.10 0.31 0.10 0.00 0.36 0.00 0.00 54.97 55.84 3h6i s GLU 121 Cb 0.08 -0.23 -0.04 0.00 0.26 0.00 0.00 34.13 34.19 3h6i s GLU 121 CO -0.08 -0.19 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.71 3h6i s LEU 122 N 1.27 2.49 -0.08 2.70 1.02 0.17 -1.51 118.68 124.73 3h6i s LEU 122 Ca -0.08 -0.68 0.01 0.00 0.02 0.00 0.00 54.13 53.41 3h6i s LEU 122 Cb -0.12 -1.35 0.02 0.00 0.02 0.00 0.00 46.19 44.75 3h6i s LEU 122 CO -0.05 0.17 -0.09 0.00 0.02 0.00 0.00 176.35 176.41 3h6i s VAL 124 N 1.12 2.74 0.12 0.00 1.01 -0.75 -1.20 120.40 123.44 3h6i s VAL 124 Ca -0.06 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.22 3h6i s VAL 124 Cb -0.14 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 3h6i s VAL 124 CO -0.02 0.53 -0.16 0.00 0.00 0.00 0.00 175.10 175.46 3h6i s ALA 125 N 0.48 1.56 -0.03 5.51 0.00 -0.58 -0.77 121.76 127.94 3h6i s ALA 125 Ca -0.11 -1.26 -0.02 0.00 0.00 0.00 0.00 51.96 50.57 3h6i s ALA 125 Cb -0.16 -0.12 0.01 0.00 0.00 0.00 0.00 23.12 22.85 3h6i s ALA 125 CO 0.05 0.17 0.07 -2.00 0.00 0.00 0.00 175.76 174.05 3h6i s GLU 126 N -2.42 0.06 0.45 0.00 2.12 -0.45 -0.69 118.70 117.78 3h6i s GLU 126 Ca 0.08 0.14 0.06 0.00 0.36 0.00 0.00 54.97 55.61 3h6i s GLU 126 Cb -0.07 -0.03 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3h6i s GLU 126 CO 0.04 -0.05 0.18 0.14 -0.54 0.00 0.00 175.26 175.03 3h6i s VAL 127 N 0.31 2.02 0.74 3.70 -7.23 -0.95 -1.10 120.40 117.90 3h6i s VAL 127 Ca -0.02 -1.72 -0.12 0.00 -1.81 0.00 0.00 61.98 58.30 3h6i s VAL 127 Cb -0.03 -2.74 0.04 0.00 0.56 0.00 0.00 36.38 34.20 3h6i s VAL 127 CO -0.01 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.88 3h6i s ALA 128 N -2.67 2.29 0.75 1.32 0.00 -1.26 -4.87 121.76 117.32 3h6i s ALA 128 Ca 0.35 0.40 -0.11 0.00 0.00 0.00 0.00 51.96 52.60 3h6i s ALA 128 Cb 0.03 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.89 3h6i s ALA 128 CO 0.19 -1.65 1.08 -1.01 0.00 0.00 0.00 175.76 174.37 3h6i s HIS 129 N -2.66 2.87 0.22 0.00 3.76 -1.26 -4.80 115.29 113.41 3h6i s HIS 129 Ca 0.64 1.40 -0.32 0.00 -0.15 0.00 0.00 55.06 56.63 3h6i s HIS 129 Cb -0.19 -2.98 -0.13 0.00 1.11 0.00 0.00 32.58 30.39 3h6i s HIS 129 CO 0.51 -1.56 1.55 0.98 -0.85 0.00 0.00 174.74 175.37 3h6i n TYR 130 N -3.34 2.42 -1.02 1.40 9.36 -1.26 -2.21 117.16 122.51 3h6i n TYR 130 Ca 0.08 0.28 -0.01 0.00 3.32 0.00 0.00 57.90 61.57 3h6i n TYR 130 Cb 0.54 -2.55 -0.00 0.00 -0.63 0.00 0.00 39.34 36.70 3h6i n TYR 130 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3h6i n GLY 131 N 2.87 0.44 3.60 2.98 0.00 -1.26 -5.02 105.19 108.80 3h6i n GLY 131 Ca 0.14 -0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 3h6i n GLY 131 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3h6i s GLU 132 N -0.70 2.16 -0.29 1.61 2.02 -0.94 -5.11 118.70 117.46 3h6i s GLU 132 Ca 0.00 -1.41 0.03 0.00 0.02 0.00 0.00 54.97 53.61 3h6i s GLU 132 Cb 0.00 -2.12 0.08 0.00 0.10 0.00 0.00 34.13 32.19 3h6i s GLU 132 CO 0.00 0.38 -0.04 0.95 0.02 0.00 0.00 175.26 176.57 3h6i s THR 133 N -2.16 2.05 -0.08 3.63 -4.23 -1.26 -4.76 115.64 108.82 3h6i s THR 133 Ca 0.29 -1.80 -0.07 0.00 -1.18 0.00 0.00 61.69 58.93 3h6i s THR 133 Cb -0.07 -2.32 0.03 0.00 1.34 0.00 0.00 72.50 71.48 3h6i s THR 133 CO 0.18 -0.26 0.22 -0.75 -0.54 0.00 0.00 174.62 173.47 3h6i s LYS 134 N 1.10 0.23 0.24 3.99 2.20 -1.26 -5.11 119.74 121.13 3h6i s LYS 134 Ca -0.01 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.66 3h6i s LYS 134 Cb -0.19 0.05 -0.09 0.00 -1.51 0.00 0.00 37.83 36.09 3h6i s LYS 134 CO -0.07 -0.07 1.18 1.03 -0.36 0.00 0.00 175.35 177.06 3h6i s ARG 135 N 0.42 4.52 0.46 4.03 0.52 -1.26 -4.43 118.95 123.22 3h6i s ARG 135 Ca -0.03 1.90 -0.24 0.00 -0.52 0.00 0.00 55.73 56.85 3h6i s ARG 135 Cb -0.04 -3.20 -0.09 0.00 0.52 0.00 0.00 34.95 32.15 3h6i s ARG 135 CO -0.02 0.00 1.17 -2.30 0.02 0.00 0.00 175.30 174.17 3h6i n PRO 136 N 1.79 1.59 -4.86 3.54 -0.02 -1.26 -4.86 135.00 130.93 3h6i n PRO 136 Ca 0.02 0.57 -0.33 0.00 -2.02 0.00 0.00 63.50 61.74 3h6i n PRO 136 Cb 0.44 -2.29 -0.13 0.00 -0.02 0.00 0.00 33.50 31.51 3h6i n PRO 136 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3h6i s GLU 137 N -2.33 2.59 -0.05 -0.52 2.02 -0.26 -4.99 118.70 115.17 3h6i s GLU 137 Ca 0.65 -0.68 0.01 0.00 0.02 0.00 0.00 54.97 54.97 3h6i s GLU 137 Cb -0.50 -2.42 0.02 0.00 0.10 0.00 0.00 34.13 31.34 3h6i s GLU 137 CO 0.55 0.60 -0.05 -0.51 0.02 0.00 0.00 175.26 175.87 3h6i s LEU 138 N -0.67 1.25 0.00 1.80 1.02 -1.24 -1.34 118.68 119.51 3h6i s LEU 138 Ca 0.10 -0.14 0.08 0.00 0.02 0.00 0.00 54.13 54.18 3h6i s LEU 138 Cb -0.11 -0.49 -0.02 0.00 0.02 0.00 0.00 46.19 45.59 3h6i s LEU 138 CO 0.01 -0.07 -0.24 -0.31 0.02 0.00 0.00 176.35 175.76 3h6i s TYR 139 N 1.08 2.11 -0.15 0.29 1.51 0.05 -1.67 117.35 120.57 3h6i s TYR 139 Ca -0.08 -0.40 -0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3h6i s TYR 139 Cb -0.14 -1.32 -0.02 0.00 -0.11 0.00 0.00 41.96 40.37 3h6i s TYR 139 CO -0.01 0.02 -0.10 0.50 -1.11 0.00 0.00 175.55 174.85 3h6i s ARG 140 N -0.79 3.44 -0.11 -0.62 3.52 -0.30 -1.81 118.95 122.29 3h6i s ARG 140 Ca 0.09 -0.64 0.03 0.00 -0.13 0.00 0.00 55.73 55.08 3h6i s ARG 140 Cb -0.09 -2.75 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 3h6i s ARG 140 CO 0.00 0.14 -0.19 0.42 -0.81 0.00 0.00 175.30 174.86 3h6i s ILE 141 N 0.56 1.78 0.33 4.11 1.09 0.25 -1.00 121.20 128.31 3h6i s ILE 141 Ca -0.06 -0.83 0.07 0.00 -1.10 0.00 0.00 60.65 58.73 3h6i s ILE 141 Cb -0.15 -1.58 -0.03 0.00 -1.06 0.00 0.00 42.46 39.64 3h6i s ILE 141 CO 0.03 0.50 0.30 0.42 -0.10 0.00 0.00 174.94 176.09 3h6i s THR 142 N 0.74 3.66 0.60 2.92 -4.23 -0.58 -0.66 115.64 118.09 3h6i s THR 142 Ca -0.11 -1.35 0.30 0.00 -1.18 0.00 0.00 61.69 59.35 3h6i s THR 142 Cb -0.16 -3.22 0.42 0.00 1.34 0.00 0.00 72.50 70.88 3h6i s THR 142 CO 0.02 -0.19 1.49 0.10 -0.54 0.00 0.00 174.62 175.50 3h6i h TYR 143 N 1.25 0.00 -0.02 3.99 -0.00 -1.82 0.36 116.97 120.73 3h6i h TYR 143 Ca -0.45 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.28 3h6i h TYR 143 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.98 3h6i h TYR 143 CO 0.53 0.00 -0.42 -0.40 -0.00 0.00 0.00 178.16 177.87 3h6i n ASP 144 N -3.45 1.94 0.00 0.10 5.75 -1.26 -4.57 116.55 115.07 3h6i n ASP 144 Ca 0.21 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.53 3h6i n ASP 144 Cb 1.34 0.40 0.00 0.00 -1.03 0.00 0.00 41.12 41.84 3h6i n ASP 144 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3h6i n GLY 145 N 1.40 0.99 3.74 6.12 0.00 0.11 -4.13 105.19 113.43 3h6i n GLY 145 Ca 0.10 -0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.71 3h6i n GLY 145 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3h6i s SER 146 N -2.00 7.43 -0.08 1.61 0.01 -1.25 -4.73 113.70 114.68 3h6i s SER 146 Ca 0.00 1.94 0.05 0.00 1.31 0.00 0.00 55.95 59.24 3h6i s SER 146 Cb 0.00 -2.60 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3h6i s SER 146 CO 0.00 -0.09 -0.24 -0.51 0.41 0.00 0.00 173.24 172.81 3h6i s ILE 147 N -0.29 2.00 -0.06 1.44 2.07 -1.26 -1.53 121.20 123.57 3h6i s ILE 147 Ca 0.47 -1.00 0.03 0.00 -1.41 0.00 0.00 60.65 58.74 3h6i s ILE 147 Cb -0.26 -1.72 0.00 0.00 0.13 0.00 0.00 42.46 40.62 3h6i s ILE 147 CO 0.32 0.55 -0.16 0.00 -1.91 0.00 0.00 174.94 173.75 3h6i s ALA 148 N 0.18 1.48 -0.52 1.50 0.00 -0.17 -4.98 121.76 119.25 3h6i s ALA 148 Ca -0.13 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.03 3h6i s ALA 148 Cb -0.16 -0.57 0.06 0.00 0.00 0.00 0.00 23.12 22.44 3h6i s ALA 148 CO 0.07 0.20 0.68 0.34 0.00 0.00 0.00 175.76 177.05 3h6i s ASP 149 N 0.36 6.24 -0.19 0.00 -1.08 -1.26 -1.15 116.67 119.59 3h6i s ASP 149 Ca -0.11 -0.83 -0.10 0.00 -0.52 0.00 0.00 52.55 51.00 3h6i s ASP 149 Cb -0.14 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 3h6i s ASP 149 CO 0.04 -0.95 0.13 -1.61 0.52 0.00 0.00 175.17 173.30 3h6i s GLU 150 N 2.85 4.14 0.29 4.34 0.41 -0.67 -5.02 118.70 125.04 3h6i s GLU 150 Ca 0.18 -0.21 0.22 0.00 -0.41 0.00 0.00 54.97 54.75 3h6i s GLU 150 Cb -0.18 -3.41 0.12 0.00 -1.78 0.00 0.00 34.13 28.88 3h6i s GLU 150 CO 0.13 0.33 1.26 -1.00 -0.49 0.00 0.00 175.26 175.49 3h6i h PRO 151 N 6.56 0.00 0.00 0.39 0.13 -1.94 -3.27 132.00 133.87 3h6i h PRO 151 Ca -0.42 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.65 3h6i h PRO 151 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 151 CO 0.75 0.05 -1.20 0.72 -0.23 0.00 0.00 178.00 178.08 3h6i n HIS 152 N -2.88 0.00 -3.74 1.56 8.25 -1.26 -4.88 115.22 112.28 3h6i n HIS 152 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3h6i n HIS 152 Cb 0.57 -0.13 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 3h6i n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3h6i s PHE 153 N -2.07 -0.08 -0.01 4.41 -0.12 -1.26 -1.80 117.98 117.05 3h6i s PHE 153 Ca -0.05 -0.26 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 3h6i s PHE 153 Cb 0.02 0.30 0.01 0.00 -0.63 0.00 0.00 43.02 42.71 3h6i s PHE 153 CO 0.07 -0.83 -0.03 0.08 -0.05 0.00 0.00 175.22 174.45 3h6i s VAL 154 N -3.87 0.33 -0.08 -2.49 1.01 0.31 -4.89 120.40 110.73 3h6i s VAL 154 Ca 0.08 -0.12 0.03 0.00 0.00 0.00 0.00 61.98 61.97 3h6i s VAL 154 Cb 0.00 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.07 3h6i s VAL 154 CO -0.05 0.12 -0.16 -0.69 0.00 0.00 0.00 175.10 174.33 3h6i s VAL 155 N 0.26 1.40 0.03 2.92 1.01 -1.26 -1.19 120.40 123.57 3h6i s VAL 155 Ca -0.03 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3h6i s VAL 155 Cb -0.06 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 35.05 3h6i s VAL 155 CO -0.00 0.41 -0.06 -0.04 0.00 0.00 0.00 175.10 175.41 3h6i s MET 156 N 0.59 0.46 0.05 2.72 -1.94 0.41 -5.01 119.30 116.59 3h6i s MET 156 Ca -0.15 -0.60 0.00 0.00 -1.71 0.00 0.00 55.69 53.22 3h6i s MET 156 Cb -0.16 -0.25 0.00 0.00 2.01 0.00 0.00 34.83 36.42 3h6i s MET 156 CO 0.05 0.05 0.00 0.41 -0.01 0.00 0.00 175.02 175.52 3h6i n GLY 157 N 1.82 -2.82 7.00 -0.03 0.00 -1.26 -0.32 105.19 109.58 3h6i n GLY 157 Ca -0.21 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3h6i n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6i n GLY 158 N -1.82 2.11 3.30 -0.02 0.00 -0.40 -4.13 105.19 104.24 3h6i n GLY 158 Ca -0.00 -0.55 -0.46 0.00 0.00 0.00 0.00 46.02 45.01 3h6i n GLY 158 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3h6i s THR 159 N 0.00 5.17 0.13 2.61 -4.23 -1.26 -4.29 115.64 113.76 3h6i s THR 159 Ca 0.00 -1.67 -0.12 0.00 -1.18 0.00 0.00 61.69 58.72 3h6i s THR 159 Cb 0.00 -4.30 -0.08 0.00 1.34 0.00 0.00 72.50 69.45 3h6i s THR 159 CO 0.00 -0.88 1.41 0.71 -0.54 0.00 0.00 174.62 175.32 3h6i h THR 160 N 5.75 1.27 -0.46 3.99 1.35 -1.95 -3.39 112.91 119.47 3h6i h THR 160 Ca -0.23 -1.70 0.09 0.00 -0.55 0.00 0.00 66.41 64.02 3h6i h THR 160 Cb 1.09 1.59 -0.09 0.00 -1.73 0.00 0.00 68.15 69.01 3h6i h THR 160 CO 0.98 0.56 -0.14 -0.33 -0.25 0.00 0.00 175.52 176.34 3h6i h GLU 161 N 0.68 -0.04 0.00 4.72 3.07 -1.95 0.89 114.58 121.95 3h6i h GLU 161 Ca 0.02 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.82 3h6i h GLU 161 Cb 1.13 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 3h6i h GLU 161 CO 0.12 -0.02 -0.31 -1.00 -1.40 0.00 0.00 179.01 176.40 3h6i h PRO 162 N -0.04 0.00 0.03 2.33 0.13 -1.89 -1.03 132.00 131.53 3h6i h PRO 162 Ca 0.22 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.10 3h6i h PRO 162 Cb 0.38 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.52 3h6i h PRO 162 CO -0.50 0.31 -1.04 0.82 -0.23 0.00 0.00 178.00 177.37 3h6i h ILE 163 N 0.00 1.36 -0.36 -3.56 2.04 -1.61 -2.26 117.51 113.12 3h6i h ILE 163 Ca -0.00 -2.43 -0.15 0.00 1.00 0.00 0.00 64.86 63.28 3h6i h ILE 163 Cb 0.61 2.48 -0.01 0.00 -0.74 0.00 0.00 36.82 39.17 3h6i h ILE 163 CO 0.04 0.73 -0.36 0.00 0.00 0.00 0.00 178.15 178.57 3h6i h ALA 164 N 0.57 0.53 -0.25 1.87 0.00 -0.65 -2.61 119.26 118.72 3h6i h ALA 164 Ca -0.11 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.20 3h6i h ALA 164 Cb 1.69 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 3h6i h ALA 164 CO 0.19 0.61 -0.48 -0.91 0.00 0.00 0.00 179.25 178.66 3h6i h ASN 165 N 0.68 0.73 0.28 0.00 -0.26 -1.25 -1.81 115.58 113.94 3h6i h ASN 165 Ca 0.06 -0.36 -0.05 0.00 -0.56 0.00 0.00 56.30 55.38 3h6i h ASN 165 Cb 0.95 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.99 3h6i h ASN 165 CO 0.09 1.09 -0.26 0.00 -1.06 0.00 0.00 177.43 177.29 3h6i h ALA 166 N 0.93 1.54 0.22 -0.83 0.00 -1.36 -2.83 119.26 116.94 3h6i h ALA 166 Ca 0.03 -0.24 -0.34 0.00 0.00 0.00 0.00 54.91 54.36 3h6i h ALA 166 Cb 1.03 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 166 CO 0.10 0.33 -1.55 -0.07 0.00 0.00 0.00 179.25 178.05 3h6i h LEU 167 N 0.00 0.73 -1.05 0.00 3.38 -1.30 -2.89 115.31 114.18 3h6i h LEU 167 Ca -0.00 -0.87 0.11 0.00 0.09 0.00 0.00 57.88 57.22 3h6i h LEU 167 Cb 0.47 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 3h6i h LEU 167 CO 0.03 1.70 0.62 0.11 0.09 0.00 0.00 178.44 181.00 3h6i h LYS 168 N 0.13 0.95 0.03 1.13 1.57 -1.08 0.16 116.57 119.46 3h6i h LYS 168 Ca -0.27 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.45 3h6i h LYS 168 Cb 2.13 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 34.23 3h6i h LYS 168 CO 0.24 0.63 -0.02 1.05 -0.57 0.00 0.00 179.45 180.78 3h6i h GLU 169 N 0.98 -0.04 0.00 3.15 4.11 -1.63 -3.37 114.58 117.77 3h6i h GLU 169 Ca 0.48 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 59.82 3h6i h GLU 169 Cb 0.47 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 3h6i h GLU 169 CO -0.24 0.58 -0.43 0.66 0.07 0.00 0.00 179.01 179.65 3h6i h SER 170 N -0.72 0.00 -3.96 3.06 4.64 -1.26 -3.46 113.55 111.85 3h6i h SER 170 Ca -0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3h6i h SER 170 Cb 0.64 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 62.82 3h6i h SER 170 CO 0.01 0.43 0.60 -0.47 -0.87 0.00 0.00 176.83 176.53 3h6i s TYR 171 N -3.55 2.76 -0.17 4.77 5.04 0.53 -5.02 117.35 121.71 3h6i s TYR 171 Ca 0.00 1.41 -0.08 0.00 -2.44 0.00 0.00 57.07 55.96 3h6i s TYR 171 Cb 0.11 -3.67 0.07 0.00 0.35 0.00 0.00 41.96 38.82 3h6i s TYR 171 CO 0.70 -2.14 0.39 0.00 -1.34 0.00 0.00 175.55 173.17 3h6i s ALA 172 N -1.29 -1.02 0.68 3.97 0.00 -1.26 -5.00 121.76 117.84 3h6i s ALA 172 Ca 0.59 1.45 -0.17 0.00 0.00 0.00 0.00 51.96 53.83 3h6i s ALA 172 Cb -0.38 -1.03 0.00 0.00 0.00 0.00 0.00 23.12 21.72 3h6i s ALA 172 CO 0.48 -0.42 1.21 0.39 0.00 0.00 0.00 175.76 177.41 3h6i n GLU 173 N 4.64 0.87 -2.09 0.00 1.02 -1.26 -3.62 120.64 120.19 3h6i n GLU 173 Ca -0.18 0.36 -0.20 0.00 -0.02 0.00 0.00 57.16 57.12 3h6i n GLU 173 Cb 0.53 -2.44 -0.04 0.00 -0.02 0.00 0.00 31.44 29.47 3h6i n GLU 173 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3h6i n ASN 174 N -1.98 -5.46 -4.76 1.62 3.02 -1.26 -4.99 115.26 101.44 3h6i n ASN 174 Ca 0.15 0.19 -0.35 0.00 -0.03 0.00 0.00 54.58 54.54 3h6i n ASN 174 Cb 0.49 -4.67 0.02 0.00 -0.61 0.00 0.00 39.78 35.01 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3h6i s ALA 175 N -2.86 2.59 1.03 5.41 0.00 -1.24 -4.34 121.76 122.36 3h6i s ALA 175 Ca 0.00 0.92 -0.16 0.00 0.00 0.00 0.00 51.96 52.72 3h6i s ALA 175 Cb 0.00 -3.41 0.21 0.00 0.00 0.00 0.00 23.12 19.92 3h6i s ALA 175 CO 0.00 -1.03 1.18 -1.54 0.00 0.00 0.00 175.76 174.37 3h6i s SER 176 N -1.71 2.42 0.08 0.00 1.04 -1.26 -1.35 113.70 112.92 3h6i s SER 176 Ca 0.75 0.65 -0.28 0.00 0.48 0.00 0.00 55.95 57.55 3h6i s SER 176 Cb -0.27 -0.96 -0.16 0.00 0.10 0.00 0.00 66.02 64.73 3h6i s SER 176 CO 0.31 -3.20 1.68 0.25 0.98 0.00 0.00 173.24 173.26 3h6i h LEU 177 N -1.95 -0.43 -0.73 2.42 5.85 -1.99 -1.31 115.31 117.17 3h6i h LEU 177 Ca -0.47 0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.32 3h6i h LEU 177 Cb 1.29 0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 3h6i h LEU 177 CO 0.45 -0.30 0.44 0.74 -0.34 0.00 0.00 178.44 179.43 3h6i h THR 178 N -0.48 1.04 -0.27 1.05 2.02 -1.94 -1.14 112.91 113.19 3h6i h THR 178 Ca -0.04 -0.28 -0.08 0.00 0.77 0.00 0.00 66.41 66.77 3h6i h THR 178 Cb 0.38 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.92 3h6i h THR 178 CO 0.06 0.15 -0.14 0.44 0.37 0.00 0.00 175.52 176.40 3h6i h ASP 179 N 0.83 0.60 -0.56 4.18 3.32 -1.91 -2.83 116.42 120.05 3h6i h ASP 179 Ca 0.31 -0.41 -0.05 0.00 0.02 0.00 0.00 57.03 56.89 3h6i h ASP 179 Cb 0.11 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 3h6i h ASP 179 CO -0.15 0.88 0.17 0.00 -1.72 0.00 0.00 179.24 178.42 3h6i h ALA 180 N 0.74 1.16 -0.16 3.45 0.00 -0.87 -2.06 119.26 121.52 3h6i h ALA 180 Ca 0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3h6i h ALA 180 Cb 0.66 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3h6i h ALA 180 CO 0.04 0.58 0.05 1.25 0.00 0.00 0.00 179.25 181.17 3h6i h LEU 181 N 0.89 0.23 -0.77 0.00 5.85 -1.19 -1.95 115.31 118.37 3h6i h LEU 181 Ca 0.20 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 3h6i h LEU 181 Cb 0.29 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 3h6i h LEU 181 CO -0.00 0.36 0.35 0.03 -0.34 0.00 0.00 178.44 178.84 3h6i h ARG 182 N 0.08 1.12 -0.23 1.25 3.08 -1.29 0.14 114.38 118.52 3h6i h ARG 182 Ca 0.05 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.88 3h6i h ARG 182 Cb 0.22 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3h6i h ARG 182 CO -0.00 0.89 -0.04 0.82 -1.07 0.00 0.00 179.97 180.57 3h6i h ILE 183 N 1.09 1.17 0.14 2.04 2.04 -1.29 0.35 117.51 123.05 3h6i h ILE 183 Ca 0.26 -0.67 -0.19 0.00 1.00 0.00 0.00 64.86 65.26 3h6i h ILE 183 Cb 0.15 1.03 0.02 0.00 -0.74 0.00 0.00 36.82 37.29 3h6i h ILE 183 CO -0.03 0.22 -0.82 0.00 0.00 0.00 0.00 178.15 177.52 3h6i h ALA 184 N 1.63 -0.09 -0.38 1.87 0.00 -0.70 -2.62 119.26 118.98 3h6i h ALA 184 Ca 0.08 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 54.23 3h6i h ALA 184 Cb 0.29 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3h6i h ALA 184 CO 0.01 0.38 -0.04 0.28 0.00 0.00 0.00 179.25 179.89 3h6i h VAL 185 N -0.34 1.22 -0.36 0.00 2.07 -0.49 -2.46 116.25 115.90 3h6i h VAL 185 Ca -0.14 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3h6i h VAL 185 Cb 1.64 0.98 -0.01 0.00 -1.52 0.00 0.00 31.29 32.38 3h6i h VAL 185 CO 0.15 0.32 -0.02 0.00 0.02 0.00 0.00 177.57 178.04 3h6i h ALA 186 N 1.38 0.49 -0.01 1.67 0.00 -1.01 -2.85 119.26 118.93 3h6i h ALA 186 Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 3h6i h ALA 186 Cb 0.42 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h6i h ALA 186 CO 0.02 0.28 -0.22 0.00 0.00 0.00 0.00 179.25 179.32 3h6i h ALA 187 N 0.85 1.61 0.00 0.00 0.00 -1.22 -1.99 119.26 118.51 3h6i h ALA 187 Ca 0.10 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.76 3h6i h ALA 187 Cb 0.50 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h6i h ALA 187 CO 0.02 0.29 -0.19 -0.07 0.00 0.00 0.00 179.25 179.31 3h6i h LEU 188 N 0.02 0.00 0.00 0.00 3.38 -1.29 -2.85 115.31 114.57 3h6i h LEU 188 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3h6i h LEU 188 Cb 0.41 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3h6i h LEU 188 CO 0.03 0.19 -0.24 0.03 0.09 0.00 0.00 178.44 178.54 3h6i h ARG 189 N 0.00 0.00 0.00 1.13 3.08 -1.13 -3.26 114.38 114.19 3h6i h ARG 189 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3h6i h ARG 189 Cb 0.90 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.95 3h6i h ARG 189 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 3h6i n ALA 190 N -1.83 1.87 -1.71 0.04 0.00 -1.07 -5.12 120.51 112.69 3h6i n ALA 190 Ca 0.05 0.01 -0.03 0.00 0.00 0.00 0.00 53.44 53.46 3h6i n ALA 190 Cb 0.44 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.49 3h6i n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3h6i n GLY 191 N 0.45 0.13 0.00 0.00 0.00 -1.23 -4.72 105.19 99.81 3h6i n GLY 191 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3h6i n GLY 191 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3h6i n LEU 203 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.80 117.00 116.70 3h6i n LEU 203 Ca -0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.87 3h6i n LEU 203 Cb 0.44 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 3h6i n LEU 203 CO -0.06 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.61 3h6i n GLY 204 N 0.00 6.01 0.46 -0.72 0.00 -1.26 -5.00 105.19 104.67 3h6i n GLY 204 Ca 0.00 -1.60 0.33 0.00 0.00 0.00 0.00 46.02 44.75 3h6i n GLY 204 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3h6i h VAL 205 N 0.00 0.26 -0.12 1.61 2.07 -1.96 -0.76 116.25 117.36 3h6i h VAL 205 Ca 0.00 -0.06 -0.12 0.00 0.82 0.00 0.00 66.70 67.35 3h6i h VAL 205 Cb 0.00 0.07 -0.01 0.00 -1.52 0.00 0.00 31.29 29.83 3h6i h VAL 205 CO 0.00 0.03 -0.44 0.00 0.02 0.00 0.00 177.57 177.18 3h6i h ALA 206 N 1.57 1.04 -0.30 1.67 0.00 -1.96 -3.22 119.26 118.06 3h6i h ALA 206 Ca 0.74 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 55.21 3h6i h ALA 206 Cb 2.27 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.97 3h6i h ALA 206 CO -0.34 0.62 0.00 -1.13 0.00 0.00 0.00 179.25 178.40 3h6i n SER 207 N -4.00 3.73 -4.27 0.00 3.41 -0.32 -4.42 113.62 107.75 3h6i n SER 207 Ca -0.02 -2.75 -0.19 0.00 -0.26 0.00 0.00 58.87 55.65 3h6i n SER 207 Cb 0.51 -0.47 -0.11 0.00 -0.26 0.00 0.00 64.21 63.87 3h6i n SER 207 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3h6i s LEU 208 N -2.36 2.44 -0.11 1.04 1.43 -1.02 -0.30 118.68 119.80 3h6i s LEU 208 Ca 0.38 -0.86 -0.01 0.00 -1.03 0.00 0.00 54.13 52.61 3h6i s LEU 208 Cb 0.29 -0.61 0.03 0.00 0.03 0.00 0.00 46.19 45.93 3h6i s LEU 208 CO 0.11 -0.14 -0.03 -0.70 0.23 0.00 0.00 176.35 175.82 3h6i s GLU 209 N -2.90 1.08 -0.02 1.70 2.12 -0.41 -4.71 118.70 115.56 3h6i s GLU 209 Ca 0.13 -0.17 0.04 0.00 0.36 0.00 0.00 54.97 55.32 3h6i s GLU 209 Cb -0.04 -1.46 -0.00 0.00 0.26 0.00 0.00 34.13 32.88 3h6i s GLU 209 CO 0.04 -0.34 -0.13 0.08 -0.54 0.00 0.00 175.26 174.37 3h6i s VAL 210 N 1.81 1.07 0.03 3.70 1.01 -1.26 -1.21 120.40 125.54 3h6i s VAL 210 Ca 0.04 -0.54 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 3h6i s VAL 210 Cb -0.13 -0.91 0.05 0.00 0.00 0.00 0.00 36.38 35.39 3h6i s VAL 210 CO -0.07 0.31 0.53 0.00 0.00 0.00 0.00 175.10 175.87 3h6i s ALA 211 N -0.07 -1.35 0.19 5.51 0.00 -0.75 -1.71 121.76 123.57 3h6i s ALA 211 Ca 0.00 0.68 0.08 0.00 0.00 0.00 0.00 51.96 52.73 3h6i s ALA 211 Cb -0.08 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 3h6i s ALA 211 CO 0.00 -0.47 -0.16 0.14 0.00 0.00 0.00 175.76 175.28 3h6i s VAL 212 N -2.17 1.81 -0.62 0.00 -7.23 -0.17 -0.25 120.40 111.77 3h6i s VAL 212 Ca -0.07 -2.08 -0.07 0.00 -1.81 0.00 0.00 61.98 57.96 3h6i s VAL 212 Cb -0.01 -1.95 0.16 0.00 0.56 0.00 0.00 36.38 35.14 3h6i s VAL 212 CO 0.01 -0.46 0.47 -0.76 -0.31 0.00 0.00 175.10 174.05 3h6i s LEU 213 N -3.02 5.67 -0.61 1.32 1.43 -0.16 -1.30 118.68 122.00 3h6i s LEU 213 Ca 0.20 -2.54 -0.26 0.00 -1.03 0.00 0.00 54.13 50.49 3h6i s LEU 213 Cb -0.03 -1.96 0.04 0.00 0.03 0.00 0.00 46.19 44.26 3h6i s LEU 213 CO 0.07 -0.50 1.11 -0.62 0.23 0.00 0.00 176.35 176.65 3h6i s ASP 214 N 1.54 6.33 0.05 2.29 2.15 0.93 -1.76 116.67 128.21 3h6i s ASP 214 Ca 0.14 -0.25 0.05 0.00 0.43 0.00 0.00 52.55 52.92 3h6i s ASP 214 Cb -0.20 -2.51 0.27 0.00 -0.30 0.00 0.00 42.92 40.18 3h6i s ASP 214 CO -0.04 -1.48 1.17 0.00 -0.17 0.00 0.00 175.17 174.65 3h6i n ALA 215 N 8.28 1.11 1.23 3.66 0.00 -0.27 -1.58 120.51 132.94 3h6i n ALA 215 Ca 0.04 0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3h6i n ALA 215 Cb 0.48 -1.08 0.33 0.00 0.00 0.00 0.00 19.45 19.17 3h6i n ALA 215 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3h6i n ASN 216 N -1.62 1.32 -4.76 0.00 5.15 -1.26 -4.49 115.26 109.60 3h6i n ASN 216 Ca 0.00 -1.12 -0.39 0.00 -0.60 0.00 0.00 54.58 52.47 3h6i n ASN 216 Cb 0.03 0.17 -0.05 0.00 -0.53 0.00 0.00 39.78 39.40 3h6i n ASN 216 CO 0.00 0.00 0.00 -0.13 1.40 0.00 0.00 177.26 178.53 3h6i s ARG 217 N -2.41 4.64 0.13 1.20 1.81 -0.61 -4.99 118.95 118.72 3h6i s ARG 217 Ca 0.25 1.59 -0.16 0.00 -1.72 0.00 0.00 55.73 55.69 3h6i s ARG 217 Cb 0.19 -3.08 -0.00 0.00 -0.45 0.00 0.00 34.95 31.61 3h6i s ARG 217 CO 0.49 0.28 1.69 -1.35 -0.68 0.00 0.00 175.30 175.74 3h6i h PRO 218 N 3.66 0.59 0.00 3.54 0.11 -1.90 -3.41 132.00 134.58 3h6i h PRO 218 Ca -0.46 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.55 3h6i h PRO 218 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3h6i h PRO 218 CO 0.66 0.54 -0.16 -2.13 -0.21 0.00 0.00 178.00 176.71 3h6i n ARG 219 N -4.66 0.00 -3.13 1.05 0.63 -1.26 -4.45 116.66 104.83 3h6i n ARG 219 Ca -0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3h6i n ARG 219 Cb 0.13 -0.29 -0.07 0.00 0.45 0.00 0.00 32.46 32.69 3h6i n ARG 219 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 3h6i s ARG 220 N -2.00 3.23 0.27 -0.14 0.52 -1.26 -4.37 118.95 115.20 3h6i s ARG 220 Ca 0.00 -0.51 0.13 0.00 -0.52 0.00 0.00 55.73 54.83 3h6i s ARG 220 Cb 0.00 -3.99 0.27 0.00 0.52 0.00 0.00 34.95 31.76 3h6i s ARG 220 CO 0.00 -1.06 1.54 0.00 0.02 0.00 0.00 175.30 175.80 3h6i h ALA 221 N 8.91 0.78 -2.48 2.13 0.00 -1.39 -3.46 119.26 123.75 3h6i h ALA 221 Ca -0.26 -0.55 -0.53 0.00 0.00 0.00 0.00 54.91 53.57 3h6i h ALA 221 Cb 1.10 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 0.91 0.75 0.79 0.12 0.00 0.00 0.00 179.25 181.82 3h6i s PHE 222 N -3.27 3.03 -0.08 0.00 5.36 -1.26 -0.05 117.98 121.71 3h6i s PHE 222 Ca 0.01 0.84 -0.04 0.00 -0.96 0.00 0.00 56.93 56.79 3h6i s PHE 222 Cb 0.10 -3.70 0.04 0.00 -0.34 0.00 0.00 43.02 39.12 3h6i s PHE 222 CO 0.75 -2.55 0.18 0.50 -1.46 0.00 0.00 175.22 172.64 3h6i s ARG 223 N 1.69 0.12 -0.04 10.12 3.52 -0.42 -4.96 118.95 128.99 3h6i s ARG 223 Ca 0.65 0.45 -0.18 0.00 -0.13 0.00 0.00 55.73 56.52 3h6i s ARG 223 Cb -0.35 -0.17 -0.05 0.00 -1.56 0.00 0.00 34.95 32.82 3h6i s ARG 223 CO 0.29 -0.18 0.49 1.03 -0.81 0.00 0.00 175.30 176.12 3h6i s ARG 224 N 1.35 4.20 -0.44 5.12 0.52 -1.26 -1.00 118.95 127.44 3h6i s ARG 224 Ca -0.08 0.54 -0.07 0.00 -0.52 0.00 0.00 55.73 55.60 3h6i s ARG 224 Cb -0.11 -3.33 0.11 0.00 0.52 0.00 0.00 34.95 32.14 3h6i s ARG 224 CO -0.07 0.41 0.28 0.42 0.02 0.00 0.00 175.30 176.37 3h6i s ILE 225 N -0.25 3.88 0.43 1.52 1.01 -0.70 -4.98 121.20 122.12 3h6i s ILE 225 Ca 0.27 -1.81 0.04 0.00 0.00 0.00 0.00 60.65 59.15 3h6i s ILE 225 Cb -0.17 -3.55 -0.05 0.00 0.01 0.00 0.00 42.46 38.70 3h6i s ILE 225 CO 0.14 -0.69 0.04 0.42 0.00 0.00 0.00 174.94 174.84 3h6i s THR 226 N 1.30 1.34 0.00 2.92 -4.23 -1.26 -4.29 115.64 111.41 3h6i s THR 226 Ca 0.06 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.57 3h6i s THR 226 Cb -0.24 -2.58 0.00 0.00 1.34 0.00 0.00 72.50 71.02 3h6i s THR 226 CO -0.01 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.68 3h6i n GLY 227 N -1.01 2.80 0.30 3.99 0.00 -1.26 -2.83 105.19 107.18 3h6i n GLY 227 Ca -0.09 -0.06 0.05 0.00 0.00 0.00 0.00 46.02 45.92 3h6i n GLY 227 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3h6i h SER 228 N 0.43 0.36 0.30 1.61 4.64 -2.00 -2.33 113.55 116.57 3h6i h SER 228 Ca 0.00 -0.01 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 3h6i h SER 228 Cb 0.00 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 61.99 3h6i h SER 228 CO 0.00 0.27 -0.44 0.00 -0.87 0.00 0.00 176.83 175.79 3h6i h ALA 229 N 1.79 1.13 0.12 5.18 0.00 -1.94 -2.82 119.26 122.72 3h6i h ALA 229 Ca 0.11 -0.42 -0.30 0.00 0.00 0.00 0.00 54.91 54.31 3h6i h ALA 229 Cb -0.03 -0.09 0.03 0.00 0.00 0.00 0.00 17.79 17.70 3h6i h ALA 229 CO -0.02 0.60 -1.24 1.25 0.00 0.00 0.00 179.25 179.83 3h6i h LEU 230 N 0.14 0.82 -1.35 0.00 5.85 -1.27 -3.26 115.31 116.24 3h6i h LEU 230 Ca 0.01 -0.77 0.02 0.00 0.84 0.00 0.00 57.88 57.98 3h6i h LEU 230 Cb 0.84 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.57 3h6i h LEU 230 CO 0.06 1.57 0.45 -0.61 -0.34 0.00 0.00 178.44 179.58 3h6i h GLN 231 N 0.25 0.86 -0.53 1.25 5.75 -1.42 -1.59 115.11 119.68 3h6i h GLN 231 Ca -0.18 -0.05 -0.00 0.00 -0.15 0.00 0.00 58.65 58.27 3h6i h GLN 231 Cb 1.91 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 30.25 3h6i h GLN 231 CO 0.23 0.57 0.32 0.00 -2.65 0.00 0.00 178.83 177.30 3h6i h ALA 232 N 1.59 1.57 0.00 3.38 0.00 -1.54 -2.26 119.26 122.00 3h6i h ALA 232 Ca 0.26 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3h6i h ALA 232 Cb -0.05 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.52 3h6i h ALA 232 CO -0.06 0.38 -1.02 1.28 0.00 0.00 0.00 179.25 179.83 3h6i n LEU 233 N -4.43 0.63 -0.94 0.00 4.77 -0.93 -5.13 117.00 110.97 3h6i n LEU 233 Ca 0.05 -0.10 0.12 0.00 -0.03 0.00 0.00 56.01 56.05 3h6i n LEU 233 Cb 0.07 -0.09 0.12 0.00 -2.33 0.00 0.00 43.42 41.18 3h6i n LEU 233 CO 0.36 0.08 0.64 -0.11 -1.33 0.00 0.00 177.39 177.03