#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3h6i h PRO 9 N 0.00 0.00 0.14 4.33 0.13 -2.05 0.22 132.00 134.76 3h6i h PRO 9 Ca 0.00 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.85 3h6i h PRO 9 Cb 0.00 0.00 0.03 0.00 0.13 0.00 0.00 31.00 31.16 3h6i h PRO 9 CO 0.00 0.00 -1.20 0.93 -0.23 0.00 0.00 178.00 177.50 3h6i h GLU 10 N 0.00 0.56 0.02 0.86 4.39 -2.06 -3.03 114.58 115.33 3h6i h GLU 10 Ca 0.24 -0.79 -0.22 0.00 0.34 0.00 0.00 59.36 58.93 3h6i h GLU 10 Cb 1.37 0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 30.28 3h6i h GLU 10 CO -0.00 1.36 -0.95 0.37 -1.16 0.00 0.00 179.01 178.63 3h6i h GLN 11 N 0.15 0.25 -0.36 2.33 4.15 -1.63 -3.00 115.11 117.01 3h6i h GLN 11 Ca -0.19 -0.30 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 3h6i h GLN 11 Cb 1.89 0.09 -0.02 0.00 0.21 0.00 0.00 27.48 29.66 3h6i h GLN 11 CO 0.23 1.03 0.17 0.00 -1.93 0.00 0.00 178.83 178.33 3h6i h ALA 12 N 0.86 0.46 -0.01 3.38 0.00 -1.13 -0.26 119.26 122.56 3h6i h ALA 12 Ca -0.06 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3h6i h ALA 12 Cb 1.60 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 19.24 3h6i h ALA 12 CO 0.15 0.02 -0.26 1.98 0.00 0.00 0.00 179.25 181.14 3h6i h MET 13 N 0.44 0.01 0.20 0.00 4.05 -1.58 -1.71 114.93 116.34 3h6i h MET 13 Ca 0.12 -0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.22 3h6i h MET 13 Cb 0.12 -0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.95 3h6i h MET 13 CO -0.02 0.27 -1.38 -0.09 0.23 0.00 0.00 176.91 175.92 3h6i h ARG 14 N 0.01 0.57 -0.34 0.39 2.43 -1.29 -2.69 114.38 113.47 3h6i h ARG 14 Ca -0.00 -0.88 -0.14 0.00 -0.81 0.00 0.00 59.98 58.15 3h6i h ARG 14 Cb 0.46 0.31 -0.01 0.00 -0.42 0.00 0.00 29.97 30.32 3h6i h ARG 14 CO 0.03 1.41 -0.36 0.93 -1.51 0.00 0.00 179.97 180.47 3h6i h GLU 15 N 0.20 0.78 -0.43 0.20 5.08 -0.88 -1.93 114.58 117.60 3h6i h GLU 15 Ca -0.23 -0.39 -0.08 0.00 -1.00 0.00 0.00 59.36 57.66 3h6i h GLU 15 Cb 2.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.31 3h6i h GLU 15 CO 0.26 1.02 -0.05 0.00 -1.00 0.00 0.00 179.01 179.24 3h6i h ARG 16 N 0.65 0.80 -0.72 2.33 3.08 -1.42 -1.80 114.38 117.29 3h6i h ARG 16 Ca 0.06 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.80 3h6i h ARG 16 Cb 0.91 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.87 3h6i h ARG 16 CO 0.08 0.89 0.33 0.77 -1.07 0.00 0.00 179.97 180.97 3h6i h SER 17 N 0.63 0.97 -0.60 7.04 0.02 -1.29 -1.47 113.55 118.85 3h6i h SER 17 Ca 0.12 -0.15 -0.09 0.00 -0.84 0.00 0.00 61.79 60.83 3h6i h SER 17 Cb 0.56 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 3h6i h SER 17 CO 0.03 0.85 0.03 -0.33 -1.14 0.00 0.00 176.83 176.27 3h6i h GLU 18 N 1.02 1.03 -0.77 3.45 4.39 -1.24 0.10 114.58 122.57 3h6i h GLU 18 Ca 0.25 -0.31 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 3h6i h GLU 18 Cb 0.15 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 28.67 3h6i h GLU 18 CO -0.03 1.00 0.41 1.25 -1.16 0.00 0.00 179.01 180.48 3h6i h LEU 19 N 0.93 0.97 -0.45 1.33 6.46 -0.99 0.46 115.31 124.02 3h6i h LEU 19 Ca 0.17 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 3h6i h LEU 19 Cb 0.51 -0.25 -0.02 0.00 -0.73 0.00 0.00 40.66 40.18 3h6i h LEU 19 CO 0.02 0.80 -0.02 0.00 -0.62 0.00 0.00 178.44 178.62 3h6i h ALA 20 N 1.21 0.61 -0.60 1.25 0.00 -1.14 -2.99 119.26 117.59 3h6i h ALA 20 Ca 0.27 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3h6i h ALA 20 Cb 0.05 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 3h6i h ALA 20 CO -0.04 0.42 0.25 -0.09 0.00 0.00 0.00 179.25 179.79 3h6i h ARG 21 N 0.65 0.89 -0.67 0.00 2.43 0.12 -2.56 114.38 115.24 3h6i h ARG 21 Ca 0.12 -0.15 -0.06 0.00 -0.81 0.00 0.00 59.98 59.09 3h6i h ARG 21 Cb 0.53 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.90 3h6i h ARG 21 CO 0.03 0.75 0.20 0.87 -1.51 0.00 0.00 179.97 180.31 3h6i h LYS 22 N 0.83 1.05 -0.57 0.20 1.57 -0.14 -1.53 116.57 117.98 3h6i h LYS 22 Ca 0.20 -0.23 -0.03 0.00 -1.87 0.00 0.00 60.65 58.72 3h6i h LYS 22 Cb 0.18 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.32 3h6i h LYS 22 CO -0.02 0.92 0.24 0.78 -0.57 0.00 0.00 179.45 180.80 3h6i h GLY 23 N 0.98 0.90 1.00 3.86 0.00 -1.36 -1.89 103.07 106.55 3h6i h GLY 23 Ca 0.22 -0.48 -0.08 0.00 0.00 0.00 0.00 47.33 46.99 3h6i h GLY 23 CO -0.01 0.45 -0.01 -2.22 0.00 0.00 0.00 176.54 174.76 3h6i h ILE 24 N 0.78 1.26 -0.03 2.60 2.04 -1.34 -2.90 117.51 119.91 3h6i h ILE 24 Ca 0.19 -1.07 -0.00 0.00 1.00 0.00 0.00 64.86 64.97 3h6i h ILE 24 Cb 0.18 1.02 -0.00 0.00 -0.74 0.00 0.00 36.82 37.27 3h6i h ILE 24 CO -0.02 0.37 -0.00 0.00 0.00 0.00 0.00 178.15 178.50 3h6i h ALA 25 N 0.92 1.94 0.00 1.87 0.00 -1.09 -1.43 119.26 121.46 3h6i h ALA 25 Ca 0.13 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 3h6i h ALA 25 Cb 0.52 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3h6i h ALA 25 CO 0.03 0.05 -0.19 -0.09 0.00 0.00 0.00 179.25 179.05 3h6i h ARG 26 N 0.04 0.00 -7.01 0.00 2.43 -1.16 -3.31 114.38 105.38 3h6i h ARG 26 Ca 0.01 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.71 3h6i h ARG 26 Cb 0.04 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3h6i h ARG 26 CO 0.00 0.19 0.11 0.00 -1.51 0.00 0.00 179.97 178.76 3h6i s ALA 27 N -3.31 3.41 0.85 2.80 0.00 -0.77 -4.93 121.76 119.80 3h6i s ALA 27 Ca 0.04 -0.74 -0.10 0.00 0.00 0.00 0.00 51.96 51.16 3h6i s ALA 27 Cb 0.07 -2.51 0.11 0.00 0.00 0.00 0.00 23.12 20.79 3h6i s ALA 27 CO 0.66 -0.65 1.12 0.15 0.00 0.00 0.00 175.76 177.04 3h6i s LYS 28 N -4.87 1.55 0.14 0.00 -0.14 -1.26 -1.70 119.74 113.46 3h6i s LYS 28 Ca 0.52 1.38 -0.03 0.00 -1.36 0.00 0.00 55.97 56.47 3h6i s LYS 28 Cb -0.10 -1.80 -0.05 0.00 -1.68 0.00 0.00 37.83 34.19 3h6i s LYS 28 CO 0.44 -2.20 0.35 -1.12 -0.76 0.00 0.00 175.35 172.06 3h6i s SER 29 N -2.99 6.45 0.01 2.83 0.01 -1.26 -4.11 113.70 114.64 3h6i s SER 29 Ca 0.64 0.51 0.03 0.00 1.31 0.00 0.00 55.95 58.44 3h6i s SER 29 Cb -0.20 -2.06 -0.01 0.00 0.21 0.00 0.00 66.02 63.96 3h6i s SER 29 CO 0.57 0.05 -0.10 -0.69 0.41 0.00 0.00 173.24 173.49 3h6i s VAL 30 N -1.67 0.75 -0.02 3.43 1.01 0.64 -2.00 120.40 122.55 3h6i s VAL 30 Ca 0.40 -0.66 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3h6i s VAL 30 Cb -0.12 -0.68 -0.01 0.00 0.00 0.00 0.00 36.38 35.57 3h6i s VAL 30 CO 0.26 0.03 -0.13 -0.69 0.00 0.00 0.00 175.10 174.58 3h6i s VAL 31 N -0.59 1.01 -0.07 2.92 1.01 -0.01 -0.50 120.40 124.18 3h6i s VAL 31 Ca 0.00 -0.53 0.01 0.00 0.00 0.00 0.00 61.98 61.46 3h6i s VAL 31 Cb -0.06 -0.86 0.02 0.00 0.00 0.00 0.00 36.38 35.49 3h6i s VAL 31 CO 0.00 0.29 -0.08 0.00 0.00 0.00 0.00 175.10 175.32 3h6i s ALA 32 N -0.18 1.02 0.01 5.51 0.00 -0.35 -0.89 121.76 126.88 3h6i s ALA 32 Ca 0.03 -0.29 -0.06 0.00 0.00 0.00 0.00 51.96 51.64 3h6i s ALA 32 Cb -0.06 -0.59 -0.00 0.00 0.00 0.00 0.00 23.12 22.46 3h6i s ALA 32 CO -0.00 -0.07 0.10 -0.48 0.00 0.00 0.00 175.76 175.31 3h6i s LEU 33 N 1.04 1.70 0.16 0.00 0.05 -0.10 -0.26 118.68 121.27 3h6i s LEU 33 Ca -0.08 -0.26 -0.30 0.00 0.05 0.00 0.00 54.13 53.54 3h6i s LEU 33 Cb -0.14 0.55 -0.07 0.00 -2.05 0.00 0.00 46.19 44.47 3h6i s LEU 33 CO -0.00 -0.35 0.96 0.00 -0.55 0.00 0.00 176.35 176.41 3h6i s ALA 34 N -1.37 3.29 0.04 1.48 0.00 -0.65 -0.70 121.76 123.84 3h6i s ALA 34 Ca -0.15 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.43 3h6i s ALA 34 Cb -0.08 -3.26 -0.00 0.00 0.00 0.00 0.00 23.12 19.78 3h6i s ALA 34 CO 0.01 0.04 0.03 2.48 0.00 0.00 0.00 175.76 178.32 3h6i n TYR 35 N 2.29 -0.06 0.01 0.00 0.18 -0.77 -4.76 117.16 114.05 3h6i n TYR 35 Ca 0.01 -0.33 -0.12 0.00 1.88 0.00 0.00 57.90 59.34 3h6i n TYR 35 Cb 0.48 0.03 -0.08 0.00 -0.38 0.00 0.00 39.34 39.39 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 1.11 0.04 -0.26 -3.48 0.00 -1.66 -3.22 119.26 111.79 3h6i h ALA 36 Ca -0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3h6i h ALA 36 Cb 0.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3h6i h ALA 36 CO 0.05 -0.35 0.00 0.41 0.00 0.00 0.00 179.25 179.36 3h6i n GLY 37 N -0.51 0.27 0.00 0.00 0.00 -1.26 -5.02 105.19 98.67 3h6i n GLY 37 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.64 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 0.96 0.55 3.20 -0.02 0.00 -1.22 -1.19 105.19 107.47 3h6i n GLY 38 Ca 0.10 -0.77 -0.22 0.00 0.00 0.00 0.00 46.02 45.13 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 1.37 -0.08 1.61 1.01 -0.91 -1.85 120.40 121.56 3h6i s VAL 39 Ca 0.00 -1.13 0.04 0.00 0.00 0.00 0.00 61.98 60.89 3h6i s VAL 39 Cb 0.00 -1.22 -0.00 0.00 0.00 0.00 0.00 36.38 35.15 3h6i s VAL 39 CO 0.00 0.07 -0.21 -0.22 0.00 0.00 0.00 175.10 174.73 3h6i s LEU 40 N -1.24 1.99 -0.14 3.92 2.96 0.12 -1.19 118.68 125.10 3h6i s LEU 40 Ca 0.04 -0.48 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3h6i s LEU 40 Cb -0.08 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.35 3h6i s LEU 40 CO 0.02 0.16 -0.15 -0.36 -1.32 0.00 0.00 176.35 174.70 3h6i s PHE 41 N 0.24 2.78 -0.06 5.38 0.08 0.88 -0.92 117.98 126.36 3h6i s PHE 41 Ca -0.13 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.03 3h6i s PHE 41 Cb -0.16 -1.87 0.02 0.00 -0.57 0.00 0.00 43.02 40.45 3h6i s PHE 41 CO 0.06 -0.38 -0.03 0.08 -0.10 0.00 0.00 175.22 174.85 3h6i s VAL 42 N 0.63 0.51 0.02 -0.44 1.01 -0.06 -1.60 120.40 120.48 3h6i s VAL 42 Ca -0.08 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 61.88 3h6i s VAL 42 Cb -0.16 -0.59 -0.02 0.00 0.00 0.00 0.00 36.38 35.62 3h6i s VAL 42 CO 0.03 0.25 -0.08 0.00 0.00 0.00 0.00 175.10 175.30 3h6i s ALA 43 N 1.34 0.62 -0.45 5.51 0.00 -0.29 -0.83 121.76 127.65 3h6i s ALA 43 Ca -0.04 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.06 3h6i s ALA 43 Cb -0.13 -0.05 0.02 0.00 0.00 0.00 0.00 23.12 22.95 3h6i s ALA 43 CO -0.02 0.07 1.28 -1.21 0.00 0.00 0.00 175.76 175.88 3h6i s GLU 44 N -0.94 3.63 -0.27 0.00 2.02 -0.85 -1.36 118.70 120.93 3h6i s GLU 44 Ca -0.04 0.73 -0.01 0.00 0.02 0.00 0.00 54.97 55.67 3h6i s GLU 44 Cb -0.07 -3.98 0.13 0.00 0.10 0.00 0.00 34.13 30.31 3h6i s GLU 44 CO 0.00 -1.51 0.29 1.21 0.02 0.00 0.00 175.26 175.27 3h6i s ASN 45 N 3.28 1.50 0.43 -0.19 2.47 -0.63 -4.68 114.94 117.11 3h6i s ASN 45 Ca 0.55 -0.57 0.22 0.00 0.42 0.00 0.00 52.86 53.48 3h6i s ASN 45 Cb -0.10 0.54 0.94 0.00 -1.45 0.00 0.00 41.25 41.17 3h6i s ASN 45 CO 0.32 -0.37 1.85 1.55 -3.72 0.00 0.00 177.10 176.73 3h6i h PRO 46 N 8.27 0.00 -6.93 0.43 0.13 -1.88 -3.29 132.00 128.73 3h6i h PRO 46 Ca -0.15 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.48 3h6i h PRO 46 Cb 1.10 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.27 3h6i h PRO 46 CO 0.32 0.26 0.49 0.45 -0.23 0.00 0.00 178.00 179.29 3h6i s SER 47 N -6.32 6.66 0.08 1.44 0.15 -1.26 -4.84 113.70 109.60 3h6i s SER 47 Ca -0.01 2.29 0.23 0.00 0.70 0.00 0.00 55.95 59.16 3h6i s SER 47 Cb 0.11 -2.61 -0.07 0.00 -1.71 0.00 0.00 66.02 61.75 3h6i s SER 47 CO 0.65 -0.58 0.89 -2.11 1.20 0.00 0.00 173.24 173.30 3h6i n ARG 48 N 0.20 0.48 -0.00 5.44 1.85 -1.26 -4.58 116.66 118.78 3h6i n ARG 48 Ca 0.04 -0.01 -0.00 0.00 -1.00 0.00 0.00 57.85 56.87 3h6i n ARG 48 Cb 0.47 -1.65 -0.01 0.00 -1.05 0.00 0.00 32.46 30.22 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 -2.25 4.78 -4.41 2.89 3.41 -1.26 -4.93 113.62 111.84 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 0.50 0.73 -0.03 0.00 -0.26 0.00 0.00 64.21 65.16 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 -3.66 5.41 0.30 1.04 1.43 -1.26 -5.04 118.68 116.89 3h6i s LEU 50 Ca -0.00 -1.99 -0.28 0.00 -1.03 0.00 0.00 54.13 50.83 3h6i s LEU 50 Cb 0.00 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.78 3h6i s LEU 50 CO 0.04 -1.00 0.97 -1.10 0.23 0.00 0.00 176.35 175.48 3h6i s GLN 51 N 2.28 4.65 -0.01 1.70 -0.21 -1.26 -4.86 119.66 121.95 3h6i s GLN 51 Ca 0.25 1.45 0.12 0.00 0.02 0.00 0.00 55.36 57.20 3h6i s GLN 51 Cb -0.10 -2.99 -0.16 0.00 1.00 0.00 0.00 33.01 30.75 3h6i s GLN 51 CO -0.05 0.32 0.35 1.63 -2.12 0.00 0.00 175.29 175.42 3h6i n LYS 52 N 0.91 1.39 -5.30 2.91 5.02 -1.26 -4.96 118.16 116.87 3h6i n LYS 52 Ca 0.00 -0.07 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3h6i n LYS 52 Cb 0.48 -1.20 -0.16 0.00 -0.02 0.00 0.00 35.03 34.13 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 -2.57 2.04 0.12 -0.18 1.01 -1.26 -1.12 121.20 119.25 3h6i s ILE 53 Ca -0.01 -1.10 -0.23 0.00 0.00 0.00 0.00 60.65 59.31 3h6i s ILE 53 Cb 0.08 -1.70 0.06 0.00 0.01 0.00 0.00 42.46 40.91 3h6i s ILE 53 CO 0.49 0.58 0.57 -0.55 0.00 0.00 0.00 174.94 176.03 3h6i s SER 54 N -0.52 -0.52 0.42 3.58 0.15 0.11 -4.98 113.70 111.94 3h6i s SER 54 Ca 0.07 0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.55 3h6i s SER 54 Cb -0.11 0.56 -0.09 0.00 -1.71 0.00 0.00 66.02 64.68 3h6i s SER 54 CO -0.00 -0.88 1.06 -0.70 1.20 0.00 0.00 173.24 173.92 3h6i s GLU 55 N -3.32 4.04 -0.02 5.44 2.12 -1.26 0.21 118.70 125.91 3h6i s GLU 55 Ca -0.01 1.52 -0.03 0.00 0.36 0.00 0.00 54.97 56.82 3h6i s GLU 55 Cb -0.00 -2.44 -0.02 0.00 0.26 0.00 0.00 34.13 31.92 3h6i s GLU 55 CO -0.09 -0.25 -0.06 1.28 -0.54 0.00 0.00 175.26 175.60 3h6i n LEU 56 N -0.29 0.59 0.00 2.70 4.77 -0.71 -4.76 117.00 119.30 3h6i n LEU 56 Ca 0.06 0.09 -0.01 0.00 -0.03 0.00 0.00 56.01 56.12 3h6i n LEU 56 Cb 0.50 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.37 3h6i n LEU 56 CO 0.44 -0.10 0.02 0.00 -1.33 0.00 0.00 177.39 176.42 3h6i n TYR 57 N -3.34 -0.62 -0.10 -1.77 9.36 -1.05 -4.75 117.16 114.90 3h6i n TYR 57 Ca -0.08 -0.23 -0.08 0.00 3.32 0.00 0.00 57.90 60.83 3h6i n TYR 57 Cb 0.44 0.06 -0.00 0.00 -0.63 0.00 0.00 39.34 39.21 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 0.20 0.32 -0.22 2.98 3.32 -1.93 -2.94 116.42 118.14 3h6i h ASP 58 Ca -0.03 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.02 3h6i h ASP 58 Cb 0.12 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.60 3h6i h ASP 58 CO 0.04 0.23 0.00 0.54 -1.72 0.00 0.00 179.24 178.33 3h6i n ARG 59 N -4.90 2.18 -4.96 3.56 5.12 -1.26 -1.25 116.66 115.16 3h6i n ARG 59 Ca -0.00 -1.73 -0.32 0.00 -1.93 0.00 0.00 57.85 53.86 3h6i n ARG 59 Cb 0.05 -1.22 -0.15 0.00 -1.16 0.00 0.00 32.46 29.98 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 -0.95 2.76 0.33 1.55 1.01 -1.11 -2.37 120.40 121.62 3h6i s VAL 60 Ca 0.18 -0.80 0.10 0.00 0.00 0.00 0.00 61.98 61.46 3h6i s VAL 60 Cb 0.10 -2.10 -0.06 0.00 0.00 0.00 0.00 36.38 34.32 3h6i s VAL 60 CO 0.13 0.56 -0.11 -0.83 0.00 0.00 0.00 175.10 174.85 3h6i s GLY 61 N -0.11 2.11 0.05 4.51 0.00 0.17 -1.74 107.32 112.31 3h6i s GLY 61 Ca -0.03 -2.04 0.04 0.00 0.00 0.00 0.00 44.72 42.69 3h6i s GLY 61 CO 0.04 -2.01 -0.12 -0.12 0.00 0.00 0.00 173.10 170.89 3h6i s PHE 62 N -2.63 1.08 -0.17 1.90 2.19 0.13 -1.65 117.98 118.82 3h6i s PHE 62 Ca 0.32 -0.39 -0.16 0.00 0.33 0.00 0.00 56.93 57.03 3h6i s PHE 62 Cb 0.01 -0.63 0.05 0.00 -1.31 0.00 0.00 43.02 41.14 3h6i s PHE 62 CO 0.16 0.02 0.46 0.00 1.83 0.00 0.00 175.22 177.69 3h6i s ALA 63 N -1.01 -1.15 0.08 11.12 0.00 -0.56 0.05 121.76 130.31 3h6i s ALA 63 Ca -0.01 1.33 -0.04 0.00 0.00 0.00 0.00 51.96 53.24 3h6i s ALA 63 Cb -0.08 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.23 3h6i s ALA 63 CO 0.01 -0.22 0.09 0.00 0.00 0.00 0.00 175.76 175.64 3h6i s ALA 64 N 0.35 0.26 0.00 0.00 0.00 -0.27 0.05 121.76 122.15 3h6i s ALA 64 Ca -0.01 -1.01 0.02 0.00 0.00 0.00 0.00 51.96 50.96 3h6i s ALA 64 Cb -0.04 0.48 -0.01 0.00 0.00 0.00 0.00 23.12 23.56 3h6i s ALA 64 CO -0.01 -0.46 -0.07 0.00 0.00 0.00 0.00 175.76 175.22 3h6i s ALA 65 N -3.92 0.58 0.00 0.00 0.00 -0.49 -4.85 121.76 113.07 3h6i s ALA 65 Ca 0.10 -0.37 0.00 0.00 0.00 0.00 0.00 51.96 51.68 3h6i s ALA 65 Cb 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 23.12 23.07 3h6i s ALA 65 CO -0.08 0.12 0.00 0.41 0.00 0.00 0.00 175.76 176.21 3h6i n GLY 66 N 2.67 0.50 3.64 0.00 0.00 -1.26 -1.34 105.19 109.40 3h6i n GLY 66 Ca -0.15 -1.59 -0.43 0.00 0.00 0.00 0.00 46.02 43.85 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 -1.48 4.08 0.16 1.61 2.20 -0.42 -4.89 119.74 120.99 3h6i s LYS 67 Ca 0.00 1.14 -0.26 0.00 -0.36 0.00 0.00 55.97 56.49 3h6i s LYS 67 Cb 0.00 -3.74 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 3h6i s LYS 67 CO 0.00 -0.89 1.57 0.35 -0.36 0.00 0.00 175.35 176.02 3h6i h PHE 68 N 8.16 -1.24 -0.71 4.03 3.57 -1.96 -1.79 116.94 126.99 3h6i h PHE 68 Ca -0.21 0.07 0.18 0.00 3.53 0.00 0.00 57.97 61.54 3h6i h PHE 68 Cb 1.07 0.61 -0.04 0.00 2.79 0.00 0.00 35.95 40.38 3h6i h PHE 68 CO 0.83 -0.43 0.49 -2.95 -2.23 0.00 0.00 178.31 174.02 3h6i h ASN 69 N -0.29 0.17 0.14 0.41 -0.00 -1.99 0.15 115.58 114.18 3h6i h ASN 69 Ca 0.16 0.01 -0.19 0.00 -0.00 0.00 0.00 56.30 56.28 3h6i h ASN 69 Cb 0.57 -0.02 0.02 0.00 -0.00 0.00 0.00 38.32 38.89 3h6i h ASN 69 CO -0.62 0.08 -0.85 -0.33 -0.00 0.00 0.00 177.43 175.72 3h6i h GLU 70 N 0.18 0.30 0.00 4.14 5.08 -1.75 -2.98 114.58 119.55 3h6i h GLU 70 Ca 0.35 -0.52 -0.12 0.00 -1.00 0.00 0.00 59.36 58.07 3h6i h GLU 70 Cb 1.11 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.53 3h6i h GLU 70 CO -0.06 1.25 -0.57 0.27 -1.00 0.00 0.00 179.01 178.89 3h6i h PHE 71 N -0.36 0.00 -0.48 4.33 -5.15 -0.85 -2.89 116.94 111.54 3h6i h PHE 71 Ca -0.15 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 57.50 3h6i h PHE 71 Cb 1.66 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 37.81 3h6i h PHE 71 CO 0.19 0.57 -0.17 0.22 -2.00 0.00 0.00 178.31 177.12 3h6i h ASP 72 N 0.00 0.97 -0.63 -0.68 3.58 -1.10 -0.06 116.42 118.49 3h6i h ASP 72 Ca -0.01 -0.34 0.00 0.00 0.42 0.00 0.00 57.03 57.10 3h6i h ASP 72 Cb 1.34 -0.26 -0.03 0.00 1.72 0.00 0.00 39.33 42.10 3h6i h ASP 72 CO 0.07 1.12 0.41 -1.13 -2.88 0.00 0.00 179.24 176.83 3h6i h ASN 73 N 0.83 0.74 0.95 2.28 -1.24 -1.42 0.24 115.58 117.96 3h6i h ASN 73 Ca 0.12 -0.03 -0.18 0.00 0.71 0.00 0.00 56.30 56.93 3h6i h ASN 73 Cb 0.73 -0.19 -0.03 0.00 0.73 0.00 0.00 38.32 39.57 3h6i h ASN 73 CO 0.06 0.55 -0.84 -0.07 -1.29 0.00 0.00 177.43 175.84 3h6i h LEU 74 N 0.87 0.00 -0.05 0.34 3.38 -1.27 -0.81 115.31 117.77 3h6i h LEU 74 Ca 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.19 3h6i h LEU 74 Cb -0.07 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 3h6i h LEU 74 CO -0.05 0.84 0.00 -0.09 0.09 0.00 0.00 178.44 179.23 3h6i h ARG 75 N 0.00 0.09 -0.29 1.13 2.43 -0.04 -0.38 114.38 117.32 3h6i h ARG 75 Ca -0.01 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3h6i h ARG 75 Cb 1.54 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 31.06 3h6i h ARG 75 CO 0.11 0.37 0.16 0.00 -1.51 0.00 0.00 179.97 179.11 3h6i h ARG 76 N -0.20 0.33 -0.36 0.20 3.08 -0.94 -1.79 114.38 114.70 3h6i h ARG 76 Ca 0.02 -0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.01 3h6i h ARG 76 Cb 0.33 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 3h6i h ARG 76 CO 0.00 0.22 0.08 0.78 -1.07 0.00 0.00 179.97 179.98 3h6i h GLY 77 N 0.34 0.57 1.41 0.04 0.00 -1.08 -1.01 103.07 103.35 3h6i h GLY 77 Ca 0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 47.33 47.00 3h6i h GLY 77 CO -0.06 0.28 -0.42 -1.33 0.00 0.00 0.00 176.54 175.01 3h6i h GLY 78 N 0.76 0.70 1.45 4.60 0.00 -0.64 -1.57 103.07 108.38 3h6i h GLY 78 Ca 0.12 -0.72 -0.15 0.00 0.00 0.00 0.00 47.33 46.58 3h6i h GLY 78 CO -0.00 0.65 -0.48 -2.22 0.00 0.00 0.00 176.54 174.49 3h6i h ILE 79 N 0.52 1.31 -0.21 2.60 2.04 -0.56 -0.72 117.51 122.49 3h6i h ILE 79 Ca 0.04 -1.69 -0.01 0.00 1.00 0.00 0.00 64.86 64.20 3h6i h ILE 79 Cb 0.95 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.68 3h6i h ILE 79 CO 0.09 0.53 0.09 -0.61 0.00 0.00 0.00 178.15 178.25 3h6i h GLN 80 N 0.46 0.30 0.23 2.37 5.75 -1.08 -1.32 115.11 121.84 3h6i h GLN 80 Ca 0.02 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 3h6i h GLN 80 Cb 1.01 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 29.51 3h6i h GLN 80 CO 0.09 0.34 -0.11 0.35 -2.65 0.00 0.00 178.83 176.85 3h6i h PHE 81 N 0.20 -0.29 -0.97 3.99 3.57 -1.14 -2.27 116.94 120.03 3h6i h PHE 81 Ca 0.07 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.57 3h6i h PHE 81 Cb 0.14 0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.93 3h6i h PHE 81 CO -0.02 -0.06 0.64 0.00 -2.23 0.00 0.00 178.31 176.64 3h6i h ALA 82 N 0.24 1.29 -0.33 2.41 0.00 -1.03 -0.28 119.26 121.57 3h6i h ALA 82 Ca -0.03 -0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.65 3h6i h ALA 82 Cb 0.36 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3h6i h ALA 82 CO 0.05 0.65 -0.40 -0.44 0.00 0.00 0.00 179.25 179.11 3h6i h ASP 83 N 1.32 0.84 -0.37 0.00 3.32 -1.20 -0.95 116.42 119.39 3h6i h ASP 83 Ca 0.36 -0.39 -0.07 0.00 0.02 0.00 0.00 57.03 56.95 3h6i h ASP 83 Cb -0.14 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.16 3h6i h ASP 83 CO -0.08 1.14 -0.06 0.74 -1.72 0.00 0.00 179.24 179.26 3h6i h THR 84 N 0.65 1.27 -0.30 0.35 2.02 -1.12 -1.79 112.91 113.98 3h6i h THR 84 Ca 0.05 -1.11 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 3h6i h THR 84 Cb 0.96 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.60 3h6i h THR 84 CO 0.09 0.37 0.03 0.03 0.37 0.00 0.00 175.52 176.40 3h6i h ARG 85 N 0.50 0.51 -0.21 6.66 2.47 -0.92 -0.60 114.38 122.79 3h6i h ARG 85 Ca 0.10 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.59 3h6i h ARG 85 Cb 0.56 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.81 3h6i h ARG 85 CO 0.03 0.64 -0.19 0.78 0.56 0.00 0.00 179.97 181.78 3h6i h GLY 86 N 0.32 0.39 0.97 0.04 0.00 -1.13 0.97 103.07 104.63 3h6i h GLY 86 Ca 0.09 -0.28 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 3h6i h GLY 86 CO 0.01 0.26 -0.61 -1.82 0.00 0.00 0.00 176.54 174.38 3h6i h TYR 87 N 0.33 0.82 0.00 5.60 3.20 -1.00 -3.09 116.97 122.83 3h6i h TYR 87 Ca 0.06 -0.37 -0.05 0.00 3.14 0.00 0.00 58.73 61.50 3h6i h TYR 87 Cb 0.54 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3h6i h TYR 87 CO 0.01 1.17 -0.25 0.00 -1.64 0.00 0.00 178.16 177.46 3h6i h ALA 88 N 0.48 0.95 -3.00 1.82 0.00 -0.78 -3.44 119.26 115.28 3h6i h ALA 88 Ca -0.05 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3h6i h ALA 88 Cb 1.26 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3h6i h ALA 88 CO 0.13 0.31 0.00 0.66 0.00 0.00 0.00 179.25 180.35 3h6i n TYR 89 N -3.32 0.00 -3.92 0.00 4.01 0.31 -5.08 117.16 109.16 3h6i n TYR 89 Ca 0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.66 3h6i n TYR 89 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 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 1.00 0.07 0.55 7.72 1.47 -1.17 -4.97 116.67 121.34 3h6i s ASP 90 Ca 0.00 -0.78 0.22 0.00 1.18 0.00 0.00 52.55 53.17 3h6i s ASP 90 Cb 0.00 0.40 1.50 0.00 -0.34 0.00 0.00 42.92 44.48 3h6i s ASP 90 CO 0.00 -0.83 2.18 0.03 0.68 0.00 0.00 175.17 177.23 3h6i h ARG 91 N 2.62 0.00 0.00 2.11 3.08 -1.91 -2.20 114.38 118.08 3h6i h ARG 91 Ca -0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.72 3h6i h ARG 91 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.27 3h6i h ARG 91 CO 0.51 0.02 0.00 -0.09 -1.07 0.00 0.00 179.97 179.34 3h6i h ARG 92 N 0.00 0.00 0.00 0.04 2.43 -1.96 -2.90 114.38 111.98 3h6i h ARG 92 Ca -0.00 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.12 3h6i h ARG 92 Cb 0.03 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 3h6i h ARG 92 CO 0.00 0.00 -0.25 0.22 -1.51 0.00 0.00 179.97 178.43 3h6i h ASP 93 N 0.00 0.00 -3.39 -3.80 3.58 -1.77 -3.40 116.42 107.63 3h6i h ASP 93 Ca 0.00 0.00 -0.57 0.00 0.42 0.00 0.00 57.03 56.88 3h6i h ASP 93 Cb 0.46 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.45 3h6i h ASP 93 CO 0.00 0.25 0.92 -0.69 -2.88 0.00 0.00 179.24 176.85 3h6i s VAL 94 N -4.47 4.26 0.23 2.25 1.01 -1.10 -4.93 120.40 117.66 3h6i s VAL 94 Ca -0.03 1.39 0.05 0.00 0.00 0.00 0.00 61.98 63.38 3h6i s VAL 94 Cb 0.15 -4.39 -0.05 0.00 0.00 0.00 0.00 36.38 32.09 3h6i s VAL 94 CO 0.71 -0.67 -0.05 0.42 0.00 0.00 0.00 175.10 175.50 3h6i s THR 95 N 4.25 1.28 0.14 3.92 -4.23 -1.26 -4.93 115.64 114.81 3h6i s THR 95 Ca 0.50 -2.08 -0.15 0.00 -1.18 0.00 0.00 61.69 58.79 3h6i s THR 95 Cb -0.12 -2.26 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3h6i s THR 95 CO 0.24 -0.42 1.68 1.23 -0.54 0.00 0.00 174.62 176.81 3h6i h GLY 96 N 2.48 0.74 0.27 3.99 0.00 -1.94 -1.68 103.07 106.94 3h6i h GLY 96 Ca -0.38 -0.42 0.12 0.00 0.00 0.00 0.00 47.33 46.64 3h6i h GLY 96 CO 0.65 0.40 0.28 -0.09 0.00 0.00 0.00 176.54 177.77 3h6i h ARG 97 N 0.59 0.44 0.14 4.80 2.43 -1.96 0.23 114.38 121.04 3h6i h ARG 97 Ca 0.15 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 3h6i h ARG 97 Cb 0.23 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3h6i h ARG 97 CO -0.01 0.29 -0.07 0.37 -1.51 0.00 0.00 179.97 179.05 3h6i h GLN 98 N 0.45 -0.18 -0.52 0.20 4.15 -1.82 -0.35 115.11 117.04 3h6i h GLN 98 Ca 0.37 0.01 -0.04 0.00 0.77 0.00 0.00 58.65 59.76 3h6i h GLN 98 Cb 0.50 0.04 -0.02 0.00 0.21 0.00 0.00 27.48 28.21 3h6i h GLN 98 CO -0.35 0.06 0.14 -0.07 -1.93 0.00 0.00 178.83 176.68 3h6i h LEU 99 N -0.41 0.72 -0.74 -2.39 3.38 -0.87 -1.19 115.31 113.82 3h6i h LEU 99 Ca -0.02 -0.12 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 3h6i h LEU 99 Cb 0.33 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 3h6i h LEU 99 CO 0.03 0.70 -0.11 0.00 0.09 0.00 0.00 178.44 179.16 3h6i h ALA 100 N 1.40 0.93 -0.40 1.53 0.00 -0.37 -1.33 119.26 121.01 3h6i h ALA 100 Ca 0.17 -0.33 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3h6i h ALA 100 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 3h6i h ALA 100 CO -0.00 0.62 0.09 -0.97 0.00 0.00 0.00 179.25 178.99 3h6i h ASN 101 N 0.77 0.61 -0.37 0.00 -0.73 -0.60 -0.55 115.58 114.71 3h6i h ASN 101 Ca 0.13 -0.24 -0.08 0.00 1.87 0.00 0.00 56.30 57.98 3h6i h ASN 101 Cb 0.61 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 39.02 3h6i h ASN 101 CO 0.04 0.69 -0.05 0.58 -0.37 0.00 0.00 177.43 178.32 3h6i h VAL 102 N 0.50 1.25 -0.37 2.57 2.07 -1.02 -1.65 116.25 119.60 3h6i h VAL 102 Ca 0.12 -1.07 -0.14 0.00 0.82 0.00 0.00 66.70 66.43 3h6i h VAL 102 Cb 0.32 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 3h6i h VAL 102 CO 0.00 0.37 -0.34 1.88 0.02 0.00 0.00 177.57 179.50 3h6i h TYR 103 N 0.72 0.99 -0.53 1.57 0.05 -0.96 -1.59 116.97 117.23 3h6i h TYR 103 Ca 0.13 -0.28 0.00 0.00 0.05 0.00 0.00 58.73 58.64 3h6i h TYR 103 Cb 0.51 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 38.01 3h6i h TYR 103 CO 0.03 1.06 0.34 0.00 -1.05 0.00 0.00 178.16 178.54 3h6i h ALA 104 N 0.91 0.67 -0.45 3.88 0.00 -0.65 0.27 119.26 123.89 3h6i h ALA 104 Ca 0.07 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3h6i h ALA 104 Cb 0.90 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3h6i h ALA 104 CO 0.08 0.12 0.05 1.96 0.00 0.00 0.00 179.25 181.46 3h6i h GLN 105 N 0.71 0.77 -0.18 0.00 1.08 -1.25 -0.75 115.11 115.49 3h6i h GLN 105 Ca 0.19 -0.22 -0.04 0.00 -1.45 0.00 0.00 58.65 57.13 3h6i h GLN 105 Cb -0.07 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.27 3h6i h GLN 105 CO -0.04 0.80 -0.04 1.15 -0.95 0.00 0.00 178.83 179.75 3h6i h THR 106 N 0.62 1.28 -0.46 -0.54 2.02 -0.77 -1.61 112.91 113.46 3h6i h THR 106 Ca 0.13 -1.00 -0.10 0.00 0.77 0.00 0.00 66.41 66.21 3h6i h THR 106 Cb 0.42 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.39 3h6i h THR 106 CO 0.01 0.30 -0.12 -0.07 0.37 0.00 0.00 175.52 176.02 3h6i h LEU 107 N 0.07 0.90 -0.86 2.58 3.38 -0.48 -1.70 115.31 119.20 3h6i h LEU 107 Ca 0.05 -0.36 0.07 0.00 0.09 0.00 0.00 57.88 57.73 3h6i h LEU 107 Cb 0.48 -0.25 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 3h6i h LEU 107 CO 0.02 1.06 0.53 1.23 0.09 0.00 0.00 178.44 181.36 3h6i h GLY 108 N 0.74 1.32 1.44 0.83 0.00 -1.08 0.14 103.07 106.46 3h6i h GLY 108 Ca 0.12 -0.37 -0.16 0.00 0.00 0.00 0.00 47.33 46.91 3h6i h GLY 108 CO 0.05 0.23 -0.52 -0.84 0.00 0.00 0.00 176.54 175.45 3h6i h THR 109 N 0.94 1.31 -0.22 4.70 2.02 -1.18 -2.46 112.91 118.02 3h6i h THR 109 Ca 0.39 -1.75 -0.04 0.00 0.77 0.00 0.00 66.41 65.78 3h6i h THR 109 Cb 0.24 1.72 -0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3h6i h THR 109 CO -0.20 0.55 -0.00 0.40 0.37 0.00 0.00 175.52 176.64 3h6i h ILE 110 N 0.46 1.25 -0.54 3.11 2.04 -0.17 0.54 117.51 124.20 3h6i h ILE 110 Ca 0.01 -0.89 0.04 0.00 1.00 0.00 0.00 64.86 65.03 3h6i h ILE 110 Cb 1.07 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3h6i h ILE 110 CO 0.10 0.27 0.36 0.15 0.00 0.00 0.00 178.15 179.04 3h6i h PHE 111 N 0.16 0.59 0.00 1.37 3.57 -0.75 -1.54 116.94 120.34 3h6i h PHE 111 Ca 0.06 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3h6i h PHE 111 Cb 0.40 -0.20 -0.00 0.00 2.79 0.00 0.00 35.95 38.94 3h6i h PHE 111 CO 0.03 0.34 -0.46 1.15 -2.23 0.00 0.00 178.31 177.15 3h6i h THR 112 N 0.61 0.12 0.05 4.41 2.02 -1.34 -3.44 112.91 115.34 3h6i h THR 112 Ca 0.22 -1.14 -0.23 0.00 0.77 0.00 0.00 66.41 66.03 3h6i h THR 112 Cb 0.12 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 3h6i h THR 112 CO -0.06 0.04 -1.03 -0.33 0.37 0.00 0.00 175.52 174.51 3h6i h GLU 113 N -1.00 0.26 -6.91 6.66 3.07 -0.92 -3.48 114.58 112.27 3h6i h GLU 113 Ca -0.03 -0.34 -0.49 0.00 -0.50 0.00 0.00 59.36 57.99 3h6i h GLU 113 Cb 0.49 0.11 0.02 0.00 -0.84 0.00 0.00 28.75 28.53 3h6i h GLU 113 CO -0.02 1.09 0.12 -0.65 -1.40 0.00 0.00 179.01 178.15 3h6i s GLN 114 N -2.99 3.65 0.22 2.33 -0.21 -0.58 -5.01 119.66 117.06 3h6i s GLN 114 Ca -0.04 0.34 -0.09 0.00 0.02 0.00 0.00 55.36 55.59 3h6i s GLN 114 Cb 0.09 -2.37 0.22 0.00 1.00 0.00 0.00 33.01 31.95 3h6i s GLN 114 CO 0.86 -0.14 1.85 0.00 -2.12 0.00 0.00 175.29 175.73 3h6i h ALA 115 N 0.67 0.99 -4.22 6.09 0.00 -1.92 -3.42 119.26 117.45 3h6i h ALA 115 Ca -0.47 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 53.85 3h6i h ALA 115 Cb 1.20 -0.23 -0.30 0.00 0.00 0.00 0.00 17.79 18.45 3h6i h ALA 115 CO 0.63 0.25 -0.84 0.21 0.00 0.00 0.00 179.25 179.49 3h6i s LYS 116 N -6.11 1.61 0.82 0.00 2.20 -1.26 -5.14 119.74 111.86 3h6i s LYS 116 Ca -0.13 -0.65 -0.12 0.00 -0.36 0.00 0.00 55.97 54.71 3h6i s LYS 116 Cb 0.16 -1.50 0.08 0.00 -1.51 0.00 0.00 37.83 35.06 3h6i s LYS 116 CO 0.78 0.35 1.11 -1.25 -0.36 0.00 0.00 175.35 175.98 3h6i s PRO 117 N -0.29 1.91 -0.11 4.03 0.04 -1.26 -4.87 135.00 134.45 3h6i s PRO 117 Ca 0.04 0.48 -0.26 0.00 0.04 0.00 0.00 61.00 61.30 3h6i s PRO 117 Cb -0.09 -1.91 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 3h6i s PRO 117 CO 0.00 -1.71 0.86 0.71 0.04 0.00 0.00 177.00 176.91 3h6i s TYR 118 N -3.25 3.51 -1.35 0.56 1.51 -1.26 -4.92 117.35 112.15 3h6i s TYR 118 Ca 0.61 1.39 -0.12 0.00 -1.01 0.00 0.00 57.07 57.95 3h6i s TYR 118 Cb -0.14 -3.02 0.11 0.00 -0.11 0.00 0.00 41.96 38.80 3h6i s TYR 118 CO 0.53 -0.13 2.01 0.39 -1.11 0.00 0.00 175.55 177.24 3h6i n GLU 119 N 4.67 3.28 -3.97 -0.62 1.02 -1.26 -4.72 120.64 119.04 3h6i n GLU 119 Ca 0.04 -3.15 -0.08 0.00 -0.02 0.00 0.00 57.16 53.96 3h6i n GLU 119 Cb 0.50 -3.10 -0.09 0.00 -0.02 0.00 0.00 31.44 28.73 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 1.69 0.18 -0.03 2.62 -7.23 -1.26 -1.30 120.40 115.07 3h6i s VAL 120 Ca 0.43 -1.45 -0.01 0.00 -1.81 0.00 0.00 61.98 59.14 3h6i s VAL 120 Cb 0.11 -1.36 0.02 0.00 0.56 0.00 0.00 36.38 35.71 3h6i s VAL 120 CO -0.03 -0.80 0.05 -0.70 -0.31 0.00 0.00 175.10 173.31 3h6i s GLU 121 N -3.73 0.01 0.09 4.82 2.12 -0.45 -3.21 118.70 118.35 3h6i s GLU 121 Ca 0.05 0.18 0.08 0.00 0.36 0.00 0.00 54.97 55.64 3h6i s GLU 121 Cb 0.06 -0.15 -0.03 0.00 0.26 0.00 0.00 34.13 34.26 3h6i s GLU 121 CO -0.10 -0.12 -0.21 -0.51 -0.54 0.00 0.00 175.26 173.78 3h6i s LEU 122 N 0.76 2.26 -0.07 2.70 1.02 -0.16 -1.40 118.68 123.79 3h6i s LEU 122 Ca -0.06 -0.64 0.02 0.00 0.02 0.00 0.00 54.13 53.47 3h6i s LEU 122 Cb -0.09 -0.92 0.01 0.00 0.02 0.00 0.00 46.19 45.21 3h6i s LEU 122 CO -0.03 0.09 -0.13 0.00 0.02 0.00 0.00 176.35 176.31 3h6i s VAL 124 N 0.61 2.47 0.14 0.00 1.01 -0.71 -1.49 120.40 122.42 3h6i s VAL 124 Ca -0.14 -0.84 0.09 0.00 0.00 0.00 0.00 61.98 61.09 3h6i s VAL 124 Cb -0.16 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 3h6i s VAL 124 CO 0.04 0.53 -0.22 0.00 0.00 0.00 0.00 175.10 175.44 3h6i s ALA 125 N 0.83 2.10 -0.01 5.51 0.00 -0.66 -0.96 121.76 128.58 3h6i s ALA 125 Ca -0.05 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 50.50 3h6i s ALA 125 Cb -0.15 -0.28 0.01 0.00 0.00 0.00 0.00 23.12 22.70 3h6i s ALA 125 CO -0.01 0.39 -0.00 -2.00 0.00 0.00 0.00 175.76 174.14 3h6i s GLU 126 N -2.25 0.11 0.44 0.00 2.12 -0.41 -0.66 118.70 118.05 3h6i s GLU 126 Ca 0.12 0.01 0.07 0.00 0.36 0.00 0.00 54.97 55.53 3h6i s GLU 126 Cb -0.09 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.08 3h6i s GLU 126 CO 0.06 -0.03 0.20 0.14 -0.54 0.00 0.00 175.26 175.09 3h6i s VAL 127 N 0.30 2.15 0.79 3.70 -7.23 -1.00 -1.05 120.40 118.07 3h6i s VAL 127 Ca -0.03 -1.68 -0.11 0.00 -1.81 0.00 0.00 61.98 58.35 3h6i s VAL 127 Cb -0.04 -2.83 0.07 0.00 0.56 0.00 0.00 36.38 34.13 3h6i s VAL 127 CO -0.01 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.89 3h6i s ALA 128 N -2.64 2.14 0.71 1.32 0.00 -1.26 -4.87 121.76 117.16 3h6i s ALA 128 Ca 0.38 0.36 -0.11 0.00 0.00 0.00 0.00 51.96 52.59 3h6i s ALA 128 Cb 0.03 -3.31 0.02 0.00 0.00 0.00 0.00 23.12 19.85 3h6i s ALA 128 CO 0.21 -1.90 1.07 -1.01 0.00 0.00 0.00 175.76 174.13 3h6i s HIS 129 N -2.79 3.08 0.18 0.00 3.76 -1.26 -4.79 115.29 113.46 3h6i s HIS 129 Ca 0.63 1.37 -0.33 0.00 -0.15 0.00 0.00 55.06 56.58 3h6i s HIS 129 Cb -0.19 -2.92 -0.13 0.00 1.11 0.00 0.00 32.58 30.45 3h6i s HIS 129 CO 0.55 -1.32 1.60 0.98 -0.85 0.00 0.00 174.74 175.70 3h6i n TYR 130 N -3.18 2.41 -1.01 1.40 9.36 -1.26 -2.16 117.16 122.72 3h6i n TYR 130 Ca 0.07 0.22 -0.00 0.00 3.32 0.00 0.00 57.90 61.52 3h6i n TYR 130 Cb 0.54 -2.57 -0.00 0.00 -0.63 0.00 0.00 39.34 36.68 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 3.41 0.43 3.61 2.98 0.00 -1.26 -5.03 105.19 109.33 3h6i n GLY 131 Ca 0.16 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.48 2.18 -0.29 1.61 2.02 -0.92 -5.11 118.70 117.71 3h6i s GLU 132 Ca 0.00 -1.32 0.03 0.00 0.02 0.00 0.00 54.97 53.70 3h6i s GLU 132 Cb 0.00 -2.17 0.07 0.00 0.10 0.00 0.00 34.13 32.13 3h6i s GLU 132 CO 0.00 0.41 -0.05 0.95 0.02 0.00 0.00 175.26 176.59 3h6i s THR 133 N -1.98 2.28 -0.08 3.63 -4.23 -1.26 -4.74 115.64 109.26 3h6i s THR 133 Ca 0.28 -1.86 -0.07 0.00 -1.18 0.00 0.00 61.69 58.86 3h6i s THR 133 Cb -0.08 -2.46 0.03 0.00 1.34 0.00 0.00 72.50 71.33 3h6i s THR 133 CO 0.17 -0.23 0.21 -0.75 -0.54 0.00 0.00 174.62 173.49 3h6i s LYS 134 N 1.05 0.23 0.22 3.99 2.20 -1.26 -5.11 119.74 121.05 3h6i s LYS 134 Ca -0.02 0.35 -0.30 0.00 -0.36 0.00 0.00 55.97 55.65 3h6i s LYS 134 Cb -0.20 0.04 -0.09 0.00 -1.51 0.00 0.00 37.83 36.08 3h6i s LYS 134 CO -0.06 -0.07 1.22 1.03 -0.36 0.00 0.00 175.35 177.11 3h6i s ARG 135 N 0.46 4.48 0.43 4.03 0.52 -1.26 -4.36 118.95 123.24 3h6i s ARG 135 Ca -0.03 1.95 -0.24 0.00 -0.52 0.00 0.00 55.73 56.88 3h6i s ARG 135 Cb -0.04 -3.20 -0.10 0.00 0.52 0.00 0.00 34.95 32.13 3h6i s ARG 135 CO -0.02 -0.09 1.15 -2.30 0.02 0.00 0.00 175.30 174.06 3h6i n PRO 136 N 2.13 1.63 -4.78 3.54 -0.02 -1.26 -4.86 135.00 131.37 3h6i n PRO 136 Ca 0.03 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.77 3h6i n PRO 136 Cb 0.44 -2.24 -0.13 0.00 -0.02 0.00 0.00 33.50 31.55 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 -2.19 2.94 -0.06 -0.52 2.02 -0.21 -4.98 118.70 115.70 3h6i s GLU 137 Ca 0.63 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.98 3h6i s GLU 137 Cb -0.52 -2.54 0.01 0.00 0.10 0.00 0.00 34.13 31.19 3h6i s GLU 137 CO 0.56 0.46 -0.11 -0.51 0.02 0.00 0.00 175.26 175.68 3h6i s LEU 138 N -0.28 1.63 0.01 1.80 1.02 -1.23 -1.29 118.68 120.34 3h6i s LEU 138 Ca 0.02 -0.28 0.07 0.00 0.02 0.00 0.00 54.13 53.97 3h6i s LEU 138 Cb -0.13 -0.78 -0.02 0.00 0.02 0.00 0.00 46.19 45.28 3h6i s LEU 138 CO 0.03 0.03 -0.22 -0.31 0.02 0.00 0.00 176.35 175.90 3h6i s TYR 139 N 0.64 1.94 -0.16 0.29 1.51 -0.14 -1.76 117.35 119.68 3h6i s TYR 139 Ca -0.14 -0.37 0.00 0.00 -1.01 0.00 0.00 57.07 55.55 3h6i s TYR 139 Cb -0.15 -1.20 -0.00 0.00 -0.11 0.00 0.00 41.96 40.50 3h6i s TYR 139 CO 0.03 0.04 -0.16 0.50 -1.11 0.00 0.00 175.55 174.85 3h6i s ARG 140 N -0.86 3.20 -0.15 -0.62 3.52 -0.45 -1.75 118.95 121.84 3h6i s ARG 140 Ca 0.08 -0.76 0.02 0.00 -0.13 0.00 0.00 55.73 54.95 3h6i s ARG 140 Cb -0.09 -2.62 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 3h6i s ARG 140 CO 0.01 0.00 -0.21 0.42 -0.81 0.00 0.00 175.30 174.71 3h6i s ILE 141 N 0.85 2.17 0.39 4.11 1.09 0.69 -1.02 121.20 129.47 3h6i s ILE 141 Ca -0.05 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.64 3h6i s ILE 141 Cb -0.15 -1.88 0.00 0.00 -1.06 0.00 0.00 42.46 39.37 3h6i s ILE 141 CO -0.01 0.54 0.51 0.42 -0.10 0.00 0.00 174.94 176.31 3h6i s THR 142 N 0.88 3.37 0.61 2.92 -4.23 -0.30 -0.99 115.64 117.89 3h6i s THR 142 Ca -0.05 -1.03 0.27 0.00 -1.18 0.00 0.00 61.69 59.69 3h6i s THR 142 Cb -0.15 -3.15 0.36 0.00 1.34 0.00 0.00 72.50 70.90 3h6i s THR 142 CO -0.03 -0.06 1.64 0.10 -0.54 0.00 0.00 174.62 175.73 3h6i h TYR 143 N 0.77 0.00 -0.02 3.99 -0.00 -1.83 -0.15 116.97 119.73 3h6i h TYR 143 Ca -0.42 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.31 3h6i h TYR 143 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 38.00 3h6i h TYR 143 CO 0.42 0.00 -0.45 -0.40 -0.00 0.00 0.00 178.16 177.73 3h6i n ASP 144 N -3.39 2.06 0.00 0.10 5.75 -1.26 -4.56 116.55 115.25 3h6i n ASP 144 Ca 0.12 -1.53 0.00 0.00 -0.01 0.00 0.00 54.79 53.37 3h6i n ASP 144 Cb 0.97 0.46 0.00 0.00 -1.03 0.00 0.00 41.12 41.51 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 0.92 3.73 6.12 0.00 -0.07 -4.12 105.19 113.18 3h6i n GLY 145 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.19 7.37 -0.08 1.61 0.01 -1.25 -4.73 113.70 114.45 3h6i s SER 146 Ca 0.00 1.97 0.05 0.00 1.31 0.00 0.00 55.95 59.28 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 -0.15 -0.24 -0.51 0.41 0.00 0.00 173.24 172.75 3h6i s ILE 147 N -0.19 2.02 -0.06 1.44 2.07 -1.26 -1.14 121.20 124.07 3h6i s ILE 147 Ca 0.48 -1.02 0.03 0.00 -1.41 0.00 0.00 60.65 58.72 3h6i s ILE 147 Cb -0.27 -1.73 0.01 0.00 0.13 0.00 0.00 42.46 40.60 3h6i s ILE 147 CO 0.33 0.56 -0.14 0.00 -1.91 0.00 0.00 174.94 173.78 3h6i s ALA 148 N 0.11 1.38 -0.50 1.50 0.00 -0.19 -4.98 121.76 119.07 3h6i s ALA 148 Ca -0.11 -0.50 -0.20 0.00 0.00 0.00 0.00 51.96 51.14 3h6i s ALA 148 Cb -0.16 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.43 3h6i s ALA 148 CO 0.06 0.15 0.65 0.34 0.00 0.00 0.00 175.76 176.97 3h6i s ASP 149 N 0.54 6.25 -0.20 0.00 -1.08 -1.26 -1.34 116.67 119.57 3h6i s ASP 149 Ca -0.13 -0.75 -0.10 0.00 -0.52 0.00 0.00 52.55 51.04 3h6i s ASP 149 Cb -0.15 -2.31 -0.05 0.00 -1.46 0.00 0.00 42.92 38.95 3h6i s ASP 149 CO 0.04 -0.90 0.13 -1.61 0.52 0.00 0.00 175.17 173.35 3h6i s GLU 150 N 2.78 4.17 0.26 4.34 0.41 -0.72 -5.03 118.70 124.90 3h6i s GLU 150 Ca 0.18 -0.23 0.23 0.00 -0.41 0.00 0.00 54.97 54.74 3h6i s GLU 150 Cb -0.18 -3.40 0.27 0.00 -1.78 0.00 0.00 34.13 29.04 3h6i s GLU 150 CO 0.14 0.30 1.36 -1.00 -0.49 0.00 0.00 175.26 175.57 3h6i h PRO 151 N 6.65 0.00 0.00 0.39 0.13 -1.94 -3.27 132.00 133.97 3h6i h PRO 151 Ca -0.41 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.72 3h6i h PRO 151 Cb 1.15 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 151 CO 0.75 0.00 -1.00 0.72 -0.23 0.00 0.00 178.00 178.24 3h6i n HIS 152 N -2.63 0.00 -3.77 1.56 8.25 -1.26 -4.88 115.22 112.49 3h6i n HIS 152 Ca 0.03 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.39 3h6i n HIS 152 Cb 0.51 -0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.56 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 -2.00 0.00 -0.02 4.41 -0.12 -1.26 -1.64 117.98 117.35 3h6i s PHE 153 Ca -0.00 -0.35 0.02 0.00 -0.05 0.00 0.00 56.93 56.54 3h6i s PHE 153 Cb 0.00 0.20 0.00 0.00 -0.63 0.00 0.00 43.02 42.59 3h6i s PHE 153 CO 0.00 -0.76 -0.06 0.08 -0.05 0.00 0.00 175.22 174.43 3h6i s VAL 154 N -3.87 0.55 -0.09 -2.49 1.01 0.64 -4.89 120.40 111.27 3h6i s VAL 154 Ca 0.09 -0.24 0.03 0.00 0.00 0.00 0.00 61.98 61.85 3h6i s VAL 154 Cb 0.02 -0.50 0.01 0.00 0.00 0.00 0.00 36.38 35.90 3h6i s VAL 154 CO -0.06 0.18 -0.18 -0.69 0.00 0.00 0.00 175.10 174.36 3h6i s VAL 155 N 0.20 1.59 0.04 2.92 1.01 -1.26 -1.21 120.40 123.68 3h6i s VAL 155 Ca -0.02 -0.73 0.03 0.00 0.00 0.00 0.00 61.98 61.25 3h6i s VAL 155 Cb -0.07 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.87 3h6i s VAL 155 CO -0.00 0.46 -0.09 -0.04 0.00 0.00 0.00 175.10 175.42 3h6i s MET 156 N 0.64 0.63 0.11 2.72 -1.94 0.35 -5.01 119.30 116.80 3h6i s MET 156 Ca -0.14 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.18 3h6i s MET 156 Cb -0.16 -0.52 0.00 0.00 2.01 0.00 0.00 34.83 36.15 3h6i s MET 156 CO 0.04 0.12 0.00 0.41 -0.01 0.00 0.00 175.02 175.58 3h6i n GLY 157 N 1.84 -2.92 7.00 -0.03 0.00 -1.26 -0.26 105.19 109.56 3h6i n GLY 157 Ca -0.20 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.96 1.77 3.30 -0.02 0.00 -0.61 -4.19 105.19 103.48 3h6i n GLY 158 Ca -0.01 -0.62 -0.45 0.00 0.00 0.00 0.00 46.02 44.94 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 5.13 0.14 2.61 -4.23 -1.26 -4.32 115.64 113.70 3h6i s THR 159 Ca 0.00 -1.69 -0.11 0.00 -1.18 0.00 0.00 61.69 58.72 3h6i s THR 159 Cb 0.00 -4.28 -0.07 0.00 1.34 0.00 0.00 72.50 69.49 3h6i s THR 159 CO 0.00 -0.88 1.43 0.71 -0.54 0.00 0.00 174.62 175.34 3h6i h THR 160 N 5.76 1.27 -0.48 3.99 1.35 -1.95 -3.38 112.91 119.47 3h6i h THR 160 Ca -0.23 -1.69 0.10 0.00 -0.55 0.00 0.00 66.41 64.04 3h6i h THR 160 Cb 1.09 1.56 -0.09 0.00 -1.73 0.00 0.00 68.15 68.98 3h6i h THR 160 CO 0.98 0.55 -0.10 -0.33 -0.25 0.00 0.00 175.52 176.37 3h6i h GLU 161 N 0.69 0.02 0.00 4.72 3.07 -1.96 0.12 114.58 121.24 3h6i h GLU 161 Ca 0.03 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.82 3h6i h GLU 161 Cb 1.11 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.00 3h6i h GLU 161 CO 0.11 0.01 -0.33 -1.00 -1.40 0.00 0.00 179.01 176.41 3h6i h PRO 162 N 0.02 0.00 0.04 2.33 0.13 -1.97 -0.80 132.00 131.75 3h6i h PRO 162 Ca 0.23 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.10 3h6i h PRO 162 Cb 0.35 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.50 3h6i h PRO 162 CO -0.48 0.33 -1.08 0.82 -0.23 0.00 0.00 178.00 177.36 3h6i h ILE 163 N 0.00 1.33 -0.39 -3.56 2.04 -1.60 -2.29 117.51 113.04 3h6i h ILE 163 Ca -0.00 -2.42 -0.14 0.00 1.00 0.00 0.00 64.86 63.30 3h6i h ILE 163 Cb 0.67 2.51 -0.01 0.00 -0.74 0.00 0.00 36.82 39.26 3h6i h ILE 163 CO 0.04 0.73 -0.29 0.00 0.00 0.00 0.00 178.15 178.63 3h6i h ALA 164 N 0.49 0.56 -0.24 1.87 0.00 -0.57 -2.65 119.26 118.72 3h6i h ALA 164 Ca -0.13 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.22 3h6i h ALA 164 Cb 1.74 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 3h6i h ALA 164 CO 0.20 0.60 -0.46 -0.91 0.00 0.00 0.00 179.25 178.68 3h6i h ASN 165 N 0.70 0.66 0.30 0.00 -0.26 -1.20 -1.69 115.58 114.08 3h6i h ASN 165 Ca 0.07 -0.31 -0.06 0.00 -0.56 0.00 0.00 56.30 55.44 3h6i h ASN 165 Cb 0.88 -0.19 -0.01 0.00 -1.06 0.00 0.00 38.32 37.94 3h6i h ASN 165 CO 0.08 1.02 -0.27 0.00 -1.06 0.00 0.00 177.43 177.20 3h6i h ALA 166 N 1.01 1.50 0.22 -0.83 0.00 -1.37 -2.88 119.26 116.91 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 0.99 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.76 3h6i h ALA 166 CO 0.09 0.33 -1.56 -0.07 0.00 0.00 0.00 179.25 178.05 3h6i h LEU 167 N 0.00 0.74 -1.29 0.00 3.38 -1.27 -2.87 115.31 113.99 3h6i h LEU 167 Ca -0.00 -0.93 0.18 0.00 0.09 0.00 0.00 57.88 57.22 3h6i h LEU 167 Cb 0.49 -0.24 -0.08 0.00 0.09 0.00 0.00 40.66 40.92 3h6i h LEU 167 CO 0.03 1.73 0.60 0.11 0.09 0.00 0.00 178.44 181.00 3h6i h LYS 168 N 0.09 0.60 0.01 1.13 1.57 -1.10 0.32 116.57 119.20 3h6i h LYS 168 Ca -0.29 -0.04 -0.30 0.00 -1.87 0.00 0.00 60.65 58.16 3h6i h LYS 168 Cb 2.11 -0.14 -0.05 0.00 0.08 0.00 0.00 32.23 34.24 3h6i h LYS 168 CO 0.23 0.40 -1.73 0.39 -0.57 0.00 0.00 179.45 178.17 3h6i n GLU 169 N -4.59 0.64 -0.02 3.15 1.02 -1.14 -4.42 120.64 115.28 3h6i n GLU 169 Ca 0.20 0.30 0.10 0.00 -0.02 0.00 0.00 57.16 57.73 3h6i n GLU 169 Cb 0.57 -1.79 0.10 0.00 -0.02 0.00 0.00 31.44 30.30 3h6i n GLU 169 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 3h6i n SER 170 N -3.10 2.71 -4.70 1.62 3.41 -0.82 -5.00 113.62 107.74 3h6i n SER 170 Ca -0.18 -1.83 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 3h6i n SER 170 Cb 1.05 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.94 3h6i n SER 170 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3h6i s TYR 171 N -1.59 3.60 -0.10 7.33 5.04 0.11 -5.00 117.35 126.72 3h6i s TYR 171 Ca 0.24 1.54 0.02 0.00 -2.44 0.00 0.00 57.07 56.44 3h6i s TYR 171 Cb 0.17 -3.05 0.01 0.00 0.35 0.00 0.00 41.96 39.44 3h6i s TYR 171 CO 0.25 -0.04 -0.17 0.00 -1.34 0.00 0.00 175.55 174.24 3h6i s ALA 172 N 1.23 1.76 0.40 3.97 0.00 -1.26 -5.02 121.76 122.83 3h6i s ALA 172 Ca 0.47 -0.75 -0.25 0.00 0.00 0.00 0.00 51.96 51.42 3h6i s ALA 172 Cb -0.19 -0.80 -0.09 0.00 0.00 0.00 0.00 23.12 22.04 3h6i s ALA 172 CO 0.23 0.03 1.18 -1.21 0.00 0.00 0.00 175.76 175.99 3h6i s GLU 173 N 0.80 4.07 -1.19 0.00 2.02 -1.26 -3.54 118.70 119.60 3h6i s GLU 173 Ca -0.10 1.87 -0.00 0.00 0.02 0.00 0.00 54.97 56.76 3h6i s GLU 173 Cb -0.16 -2.71 0.00 0.00 0.10 0.00 0.00 34.13 31.37 3h6i s GLU 173 CO 0.01 -0.31 0.04 0.09 0.02 0.00 0.00 175.26 175.10 3h6i n ASN 174 N 0.13 -4.34 -4.72 -0.19 5.03 -1.26 -5.01 115.26 104.90 3h6i n ASN 174 Ca 0.04 -0.03 -0.31 0.00 0.87 0.00 0.00 54.58 55.15 3h6i n ASN 174 Cb 0.46 -3.48 0.13 0.00 -1.02 0.00 0.00 39.78 35.87 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3h6i s ALA 175 N -2.72 1.80 0.96 5.41 0.00 -1.23 -4.52 121.76 121.45 3h6i s ALA 175 Ca 0.02 0.23 -0.14 0.00 0.00 0.00 0.00 51.96 52.07 3h6i s ALA 175 Cb -0.01 -3.29 0.21 0.00 0.00 0.00 0.00 23.12 20.03 3h6i s ALA 175 CO 0.02 -2.20 1.25 -1.13 0.00 0.00 0.00 175.76 173.69 3h6i n SER 176 N -3.82 0.28 -0.00 0.00 3.41 -1.26 -2.14 113.62 110.09 3h6i n SER 176 Ca 0.09 -1.56 -0.13 0.00 -0.26 0.00 0.00 58.87 57.01 3h6i n SER 176 Cb 0.53 -0.94 -0.09 0.00 -0.26 0.00 0.00 64.21 63.46 3h6i n SER 176 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3h6i h LEU 177 N 0.00 0.04 -0.82 1.04 5.85 -1.99 -2.10 115.31 117.34 3h6i h LEU 177 Ca -0.40 -0.33 0.02 0.00 0.84 0.00 0.00 57.88 58.01 3h6i h LEU 177 Cb 1.16 -0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.13 3h6i h LEU 177 CO 0.30 0.36 0.53 0.74 -0.34 0.00 0.00 178.44 180.03 3h6i h THR 178 N -0.28 1.15 -0.18 1.05 2.02 -1.94 -0.35 112.91 114.38 3h6i h THR 178 Ca 0.01 -0.36 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 3h6i h THR 178 Cb 0.34 0.01 -0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3h6i h THR 178 CO 0.00 0.19 -0.12 0.44 0.37 0.00 0.00 175.52 176.40 3h6i h ASP 179 N 1.05 0.41 -0.83 4.18 3.32 -1.91 -2.74 116.42 119.90 3h6i h ASP 179 Ca 0.32 -0.44 -0.02 0.00 0.02 0.00 0.00 57.03 56.90 3h6i h ASP 179 Cb -0.04 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.36 3h6i h ASP 179 CO -0.10 0.77 0.43 0.00 -1.72 0.00 0.00 179.24 178.62 3h6i h ALA 180 N 0.66 1.06 -0.16 3.45 0.00 -1.10 -1.87 119.26 121.30 3h6i h ALA 180 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3h6i h ALA 180 Cb 0.63 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3h6i h ALA 180 CO 0.03 0.60 0.11 1.25 0.00 0.00 0.00 179.25 181.24 3h6i h LEU 181 N 1.16 0.18 -0.69 0.00 5.85 -1.02 -1.80 115.31 119.00 3h6i h LEU 181 Ca 0.29 -0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.95 3h6i h LEU 181 Cb 0.07 -0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3h6i h LEU 181 CO -0.04 0.13 0.22 0.03 -0.34 0.00 0.00 178.44 178.44 3h6i h ARG 182 N 0.22 1.08 -0.53 1.25 3.08 -1.22 0.81 114.38 119.06 3h6i h ARG 182 Ca 0.06 -0.23 -0.03 0.00 0.07 0.00 0.00 59.98 59.85 3h6i h ARG 182 Cb -0.02 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 3h6i h ARG 182 CO -0.01 0.93 0.21 0.82 -1.07 0.00 0.00 179.97 180.85 3h6i h ILE 183 N 1.01 1.19 0.02 2.04 2.04 -1.23 0.15 117.51 122.73 3h6i h ILE 183 Ca 0.22 -0.61 -0.17 0.00 1.00 0.00 0.00 64.86 65.31 3h6i h ILE 183 Cb 0.30 0.56 0.01 0.00 -0.74 0.00 0.00 36.82 36.96 3h6i h ILE 183 CO -0.01 0.24 -0.67 0.00 0.00 0.00 0.00 178.15 177.71 3h6i h ALA 184 N 1.48 0.05 -0.23 1.87 0.00 -0.83 -1.49 119.26 120.11 3h6i h ALA 184 Ca 0.18 -0.60 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3h6i h ALA 184 Cb 0.15 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3h6i h ALA 184 CO -0.02 0.38 -0.18 0.28 0.00 0.00 0.00 179.25 179.72 3h6i h VAL 185 N -0.10 1.23 0.23 0.00 2.07 -0.57 -1.51 116.25 117.59 3h6i h VAL 185 Ca -0.09 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.37 3h6i h VAL 185 Cb 1.39 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3h6i h VAL 185 CO 0.13 0.33 -0.11 0.00 0.02 0.00 0.00 177.57 177.94 3h6i h ALA 186 N 1.46 -0.31 0.00 1.67 0.00 -0.73 -2.97 119.26 118.39 3h6i h ALA 186 Ca 0.06 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3h6i h ALA 186 Cb 0.52 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3h6i h ALA 186 CO 0.03 -0.49 -0.03 0.00 0.00 0.00 0.00 179.25 178.76 3h6i h ALA 187 N -0.02 1.90 -0.17 0.00 0.00 -1.13 -2.24 119.26 117.61 3h6i h ALA 187 Ca -0.03 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 3h6i h ALA 187 Cb 0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 3h6i h ALA 187 CO 0.05 0.04 -0.43 -0.07 0.00 0.00 0.00 179.25 178.83 3h6i h LEU 188 N 0.00 0.42 -1.67 0.00 3.38 -1.17 -3.24 115.31 113.02 3h6i h LEU 188 Ca -0.00 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 57.85 3h6i h LEU 188 Cb 0.05 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3h6i h LEU 188 CO 0.00 0.80 0.53 0.03 0.09 0.00 0.00 178.44 179.90 3h6i h ARG 189 N 0.32 0.00 -0.39 1.13 2.47 -1.24 -3.48 114.38 113.19 3h6i h ARG 189 Ca 0.03 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 3h6i h ARG 189 Cb 0.90 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.22 3h6i h ARG 189 CO 0.07 0.00 0.00 0.00 0.56 0.00 0.00 179.97 180.60 3h6i n ALA 190 N -2.04 2.25 -2.67 0.04 0.00 -1.22 -5.12 120.51 111.75 3h6i n ALA 190 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 3h6i n ALA 190 Cb 0.65 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 204 N 0.20 4.55 0.10 0.00 0.00 -1.26 -4.90 105.19 103.89 3h6i n GLY 204 Ca 0.00 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 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 0.84 -0.54 1.61 2.07 -2.02 -3.41 116.25 114.79 3h6i h VAL 205 Ca 0.00 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.49 3h6i h VAL 205 Cb 0.00 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 3h6i h VAL 205 CO 0.00 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.87 3h6i n ALA 206 N -3.40 2.74 -0.19 1.67 0.00 -1.26 -4.42 120.51 115.65 3h6i n ALA 206 Ca -0.28 -1.54 0.06 0.00 0.00 0.00 0.00 53.44 51.68 3h6i n ALA 206 Cb 0.61 -0.82 0.16 0.00 0.00 0.00 0.00 19.45 19.40 3h6i n ALA 206 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3h6i n SER 207 N 0.86 2.96 -4.45 0.00 3.41 -1.26 -4.81 113.62 110.34 3h6i n SER 207 Ca 0.22 -2.02 -0.26 0.00 -0.26 0.00 0.00 58.87 56.54 3h6i n SER 207 Cb 0.74 -0.24 -0.11 0.00 -0.26 0.00 0.00 64.21 64.34 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 -1.04 2.51 -0.19 1.04 1.43 -1.24 -1.61 118.68 119.58 3h6i s LEU 208 Ca 0.24 -0.86 0.00 0.00 -1.03 0.00 0.00 54.13 52.48 3h6i s LEU 208 Cb 0.13 -1.21 0.04 0.00 0.03 0.00 0.00 46.19 45.18 3h6i s LEU 208 CO 0.16 0.11 -0.08 -0.70 0.23 0.00 0.00 176.35 176.07 3h6i s GLU 209 N -2.82 1.75 0.01 1.70 2.12 -0.46 -4.80 118.70 116.19 3h6i s GLU 209 Ca 0.23 -0.72 0.06 0.00 0.36 0.00 0.00 54.97 54.89 3h6i s GLU 209 Cb -0.08 -2.27 -0.02 0.00 0.26 0.00 0.00 34.13 32.03 3h6i s GLU 209 CO 0.11 -0.45 -0.18 0.08 -0.54 0.00 0.00 175.26 174.28 3h6i s VAL 210 N 1.49 1.43 0.13 3.70 1.01 -1.26 -1.14 120.40 125.77 3h6i s VAL 210 Ca -0.01 -0.91 -0.24 0.00 0.00 0.00 0.00 61.98 60.82 3h6i s VAL 210 Cb -0.16 -1.22 0.07 0.00 0.00 0.00 0.00 36.38 35.07 3h6i s VAL 210 CO -0.08 0.29 0.63 0.00 0.00 0.00 0.00 175.10 175.94 3h6i s ALA 211 N -0.58 -1.63 0.13 5.51 0.00 -0.63 -1.69 121.76 122.87 3h6i s ALA 211 Ca 0.06 0.62 0.04 0.00 0.00 0.00 0.00 51.96 52.68 3h6i s ALA 211 Cb -0.07 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3h6i s ALA 211 CO 0.00 -0.72 -0.11 0.14 0.00 0.00 0.00 175.76 175.08 3h6i s VAL 212 N -3.42 1.13 -0.68 0.00 -7.23 -0.14 -0.09 120.40 109.97 3h6i s VAL 212 Ca -0.00 -1.87 -0.07 0.00 -1.81 0.00 0.00 61.98 58.23 3h6i s VAL 212 Cb -0.01 -1.64 0.18 0.00 0.56 0.00 0.00 36.38 35.47 3h6i s VAL 212 CO -0.10 -0.63 0.54 -0.76 -0.31 0.00 0.00 175.10 173.84 3h6i s LEU 213 N -2.82 5.77 -0.61 1.32 1.43 -0.33 -0.92 118.68 122.52 3h6i s LEU 213 Ca 0.12 -2.75 -0.28 0.00 -1.03 0.00 0.00 54.13 50.19 3h6i s LEU 213 Cb -0.00 -1.98 0.03 0.00 0.03 0.00 0.00 46.19 44.27 3h6i s LEU 213 CO 0.01 -0.45 1.19 -0.62 0.23 0.00 0.00 176.35 176.70 3h6i s ASP 214 N 1.29 6.39 0.00 2.29 2.15 0.11 -2.13 116.67 126.76 3h6i s ASP 214 Ca 0.17 -0.03 0.06 0.00 0.43 0.00 0.00 52.55 53.17 3h6i s ASP 214 Cb -0.17 -2.55 0.26 0.00 -0.30 0.00 0.00 42.92 40.16 3h6i s ASP 214 CO -0.05 -1.53 1.10 0.00 -0.17 0.00 0.00 175.17 174.52 3h6i n ALA 215 N 8.54 1.35 1.28 3.66 0.00 -0.33 -1.46 120.51 133.55 3h6i n ALA 215 Ca 0.07 -0.02 0.13 0.00 0.00 0.00 0.00 53.44 53.62 3h6i n ALA 215 Cb 0.49 -1.09 0.35 0.00 0.00 0.00 0.00 19.45 19.20 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 -1.40 1.69 -4.78 0.00 5.15 -1.26 -4.47 115.26 110.19 3h6i n ASN 216 Ca 0.02 -1.41 -0.37 0.00 -0.60 0.00 0.00 54.58 52.22 3h6i n ASN 216 Cb 0.06 0.09 -0.06 0.00 -0.53 0.00 0.00 39.78 39.33 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 -2.20 4.59 0.07 1.20 1.81 -0.53 -4.99 118.95 118.89 3h6i s ARG 217 Ca 0.30 1.33 -0.22 0.00 -1.72 0.00 0.00 55.73 55.42 3h6i s ARG 217 Cb 0.20 -2.80 -0.14 0.00 -0.45 0.00 0.00 34.95 31.76 3h6i s ARG 217 CO 0.41 0.28 1.60 -1.35 -0.68 0.00 0.00 175.30 175.56 3h6i h PRO 218 N 3.18 0.12 0.00 3.54 0.11 -1.90 -3.40 132.00 133.65 3h6i h PRO 218 Ca -0.47 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h6i h PRO 218 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3h6i h PRO 218 CO 0.65 0.25 0.00 -2.13 -0.21 0.00 0.00 178.00 176.56 3h6i n ARG 219 N -4.94 0.00 -2.98 1.05 0.63 -1.26 -4.47 116.66 104.70 3h6i n ARG 219 Ca -0.06 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.44 3h6i n ARG 219 Cb 0.11 -0.33 -0.05 0.00 0.45 0.00 0.00 32.46 32.64 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 -1.78 3.25 0.32 -0.14 0.52 -1.26 -4.38 118.95 115.47 3h6i s ARG 220 Ca 0.00 -0.52 0.16 0.00 -0.52 0.00 0.00 55.73 54.85 3h6i s ARG 220 Cb 0.00 -4.07 0.46 0.00 0.52 0.00 0.00 34.95 31.87 3h6i s ARG 220 CO 0.00 -1.36 1.63 0.00 0.02 0.00 0.00 175.30 175.60 3h6i h ALA 221 N 9.16 0.90 -2.38 2.13 0.00 -1.41 -3.45 119.26 124.20 3h6i h ALA 221 Ca -0.27 -0.44 -0.54 0.00 0.00 0.00 0.00 54.91 53.66 3h6i h ALA 221 Cb 1.08 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 1.03 0.61 0.89 0.12 0.00 0.00 0.00 179.25 181.90 3h6i s PHE 222 N -3.45 2.69 -0.04 0.00 5.36 -1.26 0.09 117.98 121.38 3h6i s PHE 222 Ca 0.00 0.66 -0.01 0.00 -0.96 0.00 0.00 56.93 56.62 3h6i s PHE 222 Cb 0.11 -3.75 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 3h6i s PHE 222 CO 0.72 -2.88 0.07 0.50 -1.46 0.00 0.00 175.22 172.16 3h6i s ARG 223 N 2.58 -0.02 0.01 10.12 3.52 -0.10 -4.96 118.95 130.09 3h6i s ARG 223 Ca 0.67 0.29 -0.21 0.00 -0.13 0.00 0.00 55.73 56.35 3h6i s ARG 223 Cb -0.33 -0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 32.71 3h6i s ARG 223 CO 0.28 -0.21 0.61 1.03 -0.81 0.00 0.00 175.30 176.20 3h6i s ARG 224 N 1.41 4.33 -0.44 5.12 0.52 -1.26 -0.97 118.95 127.65 3h6i s ARG 224 Ca -0.05 0.76 -0.07 0.00 -0.52 0.00 0.00 55.73 55.85 3h6i s ARG 224 Cb -0.12 -3.34 0.11 0.00 0.52 0.00 0.00 34.95 32.12 3h6i s ARG 224 CO -0.04 0.38 0.28 0.42 0.02 0.00 0.00 175.30 176.36 3h6i s ILE 225 N -0.24 3.89 0.47 1.52 1.01 -0.68 -4.98 121.20 122.19 3h6i s ILE 225 Ca 0.32 -1.80 0.02 0.00 0.00 0.00 0.00 60.65 59.19 3h6i s ILE 225 Cb -0.18 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.71 3h6i s ILE 225 CO 0.18 -0.69 0.03 0.42 0.00 0.00 0.00 174.94 174.88 3h6i s THR 226 N 1.30 1.15 0.00 2.92 -4.23 -1.26 -4.27 115.64 111.24 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 -2.33 0.00 0.00 1.34 0.00 0.00 72.50 71.27 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 -1.13 2.67 0.30 3.99 0.00 -1.26 -2.65 105.19 107.12 3h6i n GLY 227 Ca -0.14 -0.04 0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 0.23 0.44 0.50 1.61 4.64 -2.00 -2.24 113.55 116.74 3h6i h SER 228 Ca 0.00 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.21 3h6i h SER 228 Cb 0.00 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 3h6i h SER 228 CO 0.00 0.33 -0.45 0.00 -0.87 0.00 0.00 176.83 175.83 3h6i h ALA 229 N 1.75 1.20 0.00 5.18 0.00 -1.94 -2.06 119.26 123.38 3h6i h ALA 229 Ca 0.14 -0.41 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3h6i h ALA 229 Cb -0.04 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3h6i h ALA 229 CO -0.03 0.57 -0.69 1.25 0.00 0.00 0.00 179.25 180.35 3h6i h LEU 230 N 0.00 0.00 -0.22 0.00 5.85 -1.17 -3.13 115.31 116.64 3h6i h LEU 230 Ca -0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.64 3h6i h LEU 230 Cb 0.83 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 3h6i h LEU 230 CO 0.06 0.69 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.09 3h6i h GLN 231 N 0.00 0.49 0.00 1.25 5.75 -1.19 -3.14 115.11 118.27 3h6i h GLN 231 Ca -0.01 -0.23 0.00 0.00 -0.15 0.00 0.00 58.65 58.26 3h6i h GLN 231 Cb 1.44 -0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.99 3h6i h GLN 231 CO 0.09 0.79 0.00 0.00 -2.65 0.00 0.00 178.83 177.06 3h6i h ALA 232 N 0.68 1.00 -0.64 3.38 0.00 -1.33 -0.29 119.26 122.07 3h6i h ALA 232 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3h6i h ALA 232 Cb 0.67 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.46 3h6i h ALA 232 CO 0.04 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.57 3h6i n LEU 233 N -2.98 3.84 0.00 0.00 4.32 -1.19 -5.11 117.00 115.90 3h6i n LEU 233 Ca -0.03 -1.84 0.00 0.00 -0.02 0.00 0.00 56.01 54.12 3h6i n LEU 233 Cb 0.07 -0.42 0.00 0.00 -1.62 0.00 0.00 43.42 41.45 3h6i n LEU 233 CO 0.19 0.92 0.00 0.18 -1.22 0.00 0.00 177.39 177.46