#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 0.24 -0.43 4.33 0.11 -2.05 -1.38 132.00 132.81 3h6i h PRO 9 Ca 0.00 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 66.02 3h6i h PRO 9 Cb 0.00 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.04 3h6i h PRO 9 CO 0.00 0.16 -0.03 0.93 -0.21 0.00 0.00 178.00 178.84 3h6i h GLU 10 N 0.25 0.77 0.01 1.05 4.39 -2.06 -1.96 114.58 117.04 3h6i h GLU 10 Ca 0.76 -0.26 -0.20 0.00 0.34 0.00 0.00 59.36 59.99 3h6i h GLU 10 Cb 1.87 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.45 3h6i h GLU 10 CO -0.60 0.87 -0.92 0.37 -1.16 0.00 0.00 179.01 177.57 3h6i h GLN 11 N 0.61 0.17 -0.18 2.33 4.15 -1.75 -3.00 115.11 117.45 3h6i h GLN 11 Ca 0.12 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 59.32 3h6i h GLN 11 Cb 0.54 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3h6i h GLN 11 CO 0.03 0.97 0.09 0.00 -1.93 0.00 0.00 178.83 177.99 3h6i h ALA 12 N 0.95 0.23 0.00 3.38 0.00 -1.19 -0.19 119.26 122.43 3h6i h ALA 12 Ca -0.05 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 3h6i h ALA 12 Cb 1.57 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.28 3h6i h ALA 12 CO 0.14 -0.21 -0.22 1.98 0.00 0.00 0.00 179.25 180.94 3h6i h MET 13 N 0.16 0.00 0.21 0.00 4.05 -1.40 -1.39 114.93 116.56 3h6i h MET 13 Ca 0.06 0.00 -0.32 0.00 -0.28 0.00 0.00 59.70 59.16 3h6i h MET 13 Cb 0.12 0.00 0.03 0.00 -0.80 0.00 0.00 31.60 30.94 3h6i h MET 13 CO -0.01 0.22 -1.44 -0.09 0.23 0.00 0.00 176.91 175.82 3h6i h ARG 14 N 0.00 0.45 -0.28 0.39 2.43 -1.32 -2.85 114.38 113.20 3h6i h ARG 14 Ca -0.00 -0.77 -0.15 0.00 -0.81 0.00 0.00 59.98 58.25 3h6i h ARG 14 Cb 0.43 0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 30.25 3h6i h ARG 14 CO 0.03 1.36 -0.42 0.93 -1.51 0.00 0.00 179.97 180.36 3h6i h GLU 15 N 0.12 0.70 -0.48 0.20 5.08 -0.70 -2.09 114.58 117.42 3h6i h GLU 15 Ca -0.23 -0.38 -0.12 0.00 -1.00 0.00 0.00 59.36 57.64 3h6i h GLU 15 Cb 2.11 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.36 3h6i h GLU 15 CO 0.25 0.99 -0.16 0.00 -1.00 0.00 0.00 179.01 179.09 3h6i h ARG 16 N 0.57 0.96 -0.88 2.33 3.08 -1.38 -1.73 114.38 117.32 3h6i h ARG 16 Ca 0.04 -0.39 0.01 0.00 0.07 0.00 0.00 59.98 59.72 3h6i h ARG 16 Cb 0.97 -0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.93 3h6i h ARG 16 CO 0.09 1.05 0.58 0.77 -1.07 0.00 0.00 179.97 181.39 3h6i h SER 17 N 0.81 1.00 -0.36 7.04 0.02 -1.37 -2.14 113.55 118.55 3h6i h SER 17 Ca 0.12 -0.02 -0.13 0.00 -0.84 0.00 0.00 61.79 60.91 3h6i h SER 17 Cb 0.73 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.01 3h6i h SER 17 CO 0.06 0.72 -0.28 -0.33 -1.14 0.00 0.00 176.83 175.86 3h6i h GLU 18 N 1.18 0.83 -0.75 3.45 4.39 -1.18 -0.79 114.58 121.70 3h6i h GLU 18 Ca 0.33 -0.41 0.03 0.00 0.34 0.00 0.00 59.36 59.65 3h6i h GLU 18 Cb -0.12 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3h6i h GLU 18 CO -0.08 1.04 0.48 1.25 -1.16 0.00 0.00 179.01 180.55 3h6i h LEU 19 N 0.62 0.80 -0.02 1.33 6.46 -1.00 -0.41 115.31 123.08 3h6i h LEU 19 Ca 0.07 -0.00 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 3h6i h LEU 19 Cb 0.86 -0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.61 3h6i h LEU 19 CO 0.07 0.55 -0.05 0.00 -0.62 0.00 0.00 178.44 178.40 3h6i h ALA 20 N 1.31 0.03 -0.83 1.25 0.00 -1.30 -2.81 119.26 116.92 3h6i h ALA 20 Ca 0.30 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3h6i h ALA 20 Cb 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3h6i h ALA 20 CO -0.11 -0.13 0.54 -0.09 0.00 0.00 0.00 179.25 179.47 3h6i h ARG 21 N -0.50 0.91 -0.47 0.00 2.43 -0.89 -1.67 114.38 114.19 3h6i h ARG 21 Ca -0.00 -0.05 -0.12 0.00 -0.81 0.00 0.00 59.98 58.99 3h6i h ARG 21 Cb 0.65 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 3h6i h ARG 21 CO 0.01 0.60 -0.17 0.87 -1.51 0.00 0.00 179.97 179.77 3h6i h LYS 22 N 0.94 0.95 -0.22 0.20 1.57 -1.12 -0.15 116.57 118.74 3h6i h LYS 22 Ca 0.35 -0.39 -0.11 0.00 -1.87 0.00 0.00 60.65 58.63 3h6i h LYS 22 Cb 0.19 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3h6i h LYS 22 CO -0.12 1.06 -0.32 0.78 -0.57 0.00 0.00 179.45 180.28 3h6i h GLY 23 N 0.80 0.50 1.09 3.86 0.00 -1.11 -1.77 103.07 106.45 3h6i h GLY 23 Ca 0.11 -0.44 -0.20 0.00 0.00 0.00 0.00 47.33 46.80 3h6i h GLY 23 CO 0.06 0.40 -0.67 -2.22 0.00 0.00 0.00 176.54 174.11 3h6i h ILE 24 N 0.40 1.30 -0.01 2.60 2.04 -1.16 -3.01 117.51 119.66 3h6i h ILE 24 Ca 0.05 -1.89 -0.03 0.00 1.00 0.00 0.00 64.86 63.99 3h6i h ILE 24 Cb 0.76 1.98 -0.00 0.00 -0.74 0.00 0.00 36.82 38.81 3h6i h ILE 24 CO 0.06 0.59 -0.14 0.00 0.00 0.00 0.00 178.15 178.67 3h6i h ALA 25 N 0.55 1.76 0.00 1.87 0.00 -0.89 -1.06 119.26 121.49 3h6i h ALA 25 Ca -0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 3h6i h ALA 25 Cb 1.30 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.06 3h6i h ALA 25 CO 0.14 0.18 -0.25 -0.09 0.00 0.00 0.00 179.25 179.23 3h6i h ARG 26 N 0.01 0.00 -7.07 0.00 2.43 -1.27 -3.33 114.38 105.15 3h6i h ARG 26 Ca 0.00 0.00 -0.47 0.00 -0.81 0.00 0.00 59.98 58.70 3h6i h ARG 26 Cb 0.25 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 29.85 3h6i h ARG 26 CO 0.02 0.25 0.15 0.00 -1.51 0.00 0.00 179.97 178.88 3h6i s ALA 27 N -3.29 3.35 0.82 2.80 0.00 -0.83 -4.93 121.76 119.68 3h6i s ALA 27 Ca 0.03 -0.72 -0.11 0.00 0.00 0.00 0.00 51.96 51.17 3h6i s ALA 27 Cb 0.08 -2.56 0.09 0.00 0.00 0.00 0.00 23.12 20.73 3h6i s ALA 27 CO 0.68 -0.74 1.13 0.15 0.00 0.00 0.00 175.76 176.98 3h6i s LYS 28 N -4.94 1.72 0.14 0.00 -0.14 -1.26 -1.65 119.74 113.61 3h6i s LYS 28 Ca 0.53 1.43 -0.04 0.00 -1.36 0.00 0.00 55.97 56.53 3h6i s LYS 28 Cb -0.10 -1.82 -0.05 0.00 -1.68 0.00 0.00 37.83 34.17 3h6i s LYS 28 CO 0.45 -2.09 0.37 -1.12 -0.76 0.00 0.00 175.35 172.20 3h6i s SER 29 N -2.84 6.48 0.01 2.83 0.01 -1.26 -4.06 113.70 114.87 3h6i s SER 29 Ca 0.66 0.57 0.03 0.00 1.31 0.00 0.00 55.95 58.52 3h6i s SER 29 Cb -0.21 -2.08 -0.01 0.00 0.21 0.00 0.00 66.02 63.92 3h6i s SER 29 CO 0.54 0.06 -0.10 -0.69 0.41 0.00 0.00 173.24 173.47 3h6i s VAL 30 N -1.65 0.76 -0.05 3.43 1.01 0.87 -2.05 120.40 122.73 3h6i s VAL 30 Ca 0.41 -0.58 0.03 0.00 0.00 0.00 0.00 61.98 61.84 3h6i s VAL 30 Cb -0.12 -0.67 0.00 0.00 0.00 0.00 0.00 36.38 35.59 3h6i s VAL 30 CO 0.25 0.09 -0.14 -0.69 0.00 0.00 0.00 175.10 174.60 3h6i s VAL 31 N -0.47 1.22 -0.11 2.92 1.01 0.04 -0.42 120.40 124.58 3h6i s VAL 31 Ca 0.01 -0.58 0.01 0.00 0.00 0.00 0.00 61.98 61.43 3h6i s VAL 31 Cb -0.05 -1.07 0.02 0.00 0.00 0.00 0.00 36.38 35.27 3h6i s VAL 31 CO 0.00 0.36 -0.14 0.00 0.00 0.00 0.00 175.10 175.33 3h6i s ALA 32 N 0.27 1.62 0.02 5.51 0.00 -0.16 -1.07 121.76 127.95 3h6i s ALA 32 Ca -0.07 -0.70 -0.02 0.00 0.00 0.00 0.00 51.96 51.17 3h6i s ALA 32 Cb -0.12 -0.84 -0.02 0.00 0.00 0.00 0.00 23.12 22.14 3h6i s ALA 32 CO 0.02 -0.14 0.02 -0.48 0.00 0.00 0.00 175.76 175.18 3h6i s LEU 33 N 1.12 2.07 0.07 0.00 0.05 -0.21 -0.34 118.68 121.44 3h6i s LEU 33 Ca -0.04 -0.47 -0.27 0.00 0.05 0.00 0.00 54.13 53.39 3h6i s LEU 33 Cb -0.14 0.27 -0.06 0.00 -2.05 0.00 0.00 46.19 44.21 3h6i s LEU 33 CO -0.03 -0.35 0.86 0.00 -0.55 0.00 0.00 176.35 176.28 3h6i s ALA 34 N -1.69 3.31 0.02 1.48 0.00 -0.89 -0.34 121.76 123.65 3h6i s ALA 34 Ca -0.13 0.42 0.00 0.00 0.00 0.00 0.00 51.96 52.25 3h6i s ALA 34 Cb -0.08 -3.13 -0.00 0.00 0.00 0.00 0.00 23.12 19.91 3h6i s ALA 34 CO -0.01 0.02 0.01 2.48 0.00 0.00 0.00 175.76 178.26 3h6i n TYR 35 N 2.83 -0.02 -0.01 0.00 0.18 -0.64 -4.73 117.16 114.78 3h6i n TYR 35 Ca -0.00 -0.16 -0.12 0.00 1.88 0.00 0.00 57.90 59.50 3h6i n TYR 35 Cb 0.50 0.01 -0.07 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 1.05 0.09 -0.16 -3.48 0.00 -1.59 -3.22 119.26 111.95 3h6i h ALA 36 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h6i h ALA 36 Cb 0.07 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 3h6i h ALA 36 CO 0.02 -0.30 0.00 0.41 0.00 0.00 0.00 179.25 179.38 3h6i n GLY 37 N -0.54 -0.05 0.00 0.00 0.00 -1.26 -5.01 105.19 98.33 3h6i n GLY 37 Ca -0.06 -0.29 0.00 0.00 0.00 0.00 0.00 46.02 45.67 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 3.31 -0.02 0.00 -1.22 -1.03 105.19 107.74 3h6i n GLY 38 Ca 0.12 -0.85 -0.29 0.00 0.00 0.00 0.00 46.02 45.01 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 1.99 -0.07 1.61 1.01 -0.74 -1.61 120.40 122.58 3h6i s VAL 39 Ca 0.00 -1.30 0.05 0.00 0.00 0.00 0.00 61.98 60.73 3h6i s VAL 39 Cb 0.00 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 3h6i s VAL 39 CO 0.00 0.34 -0.24 -0.22 0.00 0.00 0.00 175.10 174.98 3h6i s LEU 40 N -1.15 2.05 -0.12 3.92 2.96 0.54 -1.04 118.68 125.84 3h6i s LEU 40 Ca 0.10 -0.51 0.02 0.00 -0.22 0.00 0.00 54.13 53.52 3h6i s LEU 40 Cb -0.10 -1.34 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 3h6i s LEU 40 CO 0.02 0.20 -0.18 -0.36 -1.32 0.00 0.00 176.35 174.70 3h6i s PHE 41 N 0.06 2.69 -0.05 5.38 0.08 0.13 -1.04 117.98 125.23 3h6i s PHE 41 Ca -0.09 -0.89 0.00 0.00 0.12 0.00 0.00 56.93 56.07 3h6i s PHE 41 Cb -0.15 -1.79 0.02 0.00 -0.57 0.00 0.00 43.02 40.53 3h6i s PHE 41 CO 0.05 -0.35 -0.02 0.08 -0.10 0.00 0.00 175.22 174.89 3h6i s VAL 42 N 0.42 0.41 0.04 -0.44 1.01 -0.23 -1.80 120.40 119.81 3h6i s VAL 42 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 61.98 61.87 3h6i s VAL 42 Cb -0.17 -0.49 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3h6i s VAL 42 CO 0.06 0.22 -0.09 0.00 0.00 0.00 0.00 175.10 175.30 3h6i s ALA 43 N 1.28 0.67 -0.51 5.51 0.00 -0.22 -0.78 121.76 127.70 3h6i s ALA 43 Ca -0.06 -0.70 -0.29 0.00 0.00 0.00 0.00 51.96 50.91 3h6i s ALA 43 Cb -0.13 -0.02 0.03 0.00 0.00 0.00 0.00 23.12 22.99 3h6i s ALA 43 CO -0.02 0.04 1.23 -1.21 0.00 0.00 0.00 175.76 175.80 3h6i s GLU 44 N -1.31 3.58 -0.28 0.00 2.02 -0.87 -1.52 118.70 120.33 3h6i s GLU 44 Ca -0.06 0.50 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 3h6i s GLU 44 Cb -0.08 -3.99 0.13 0.00 0.10 0.00 0.00 34.13 30.29 3h6i s GLU 44 CO 0.01 -1.58 0.26 1.21 0.02 0.00 0.00 175.26 175.18 3h6i s ASN 45 N 3.07 1.96 0.46 -0.19 2.47 -0.61 -4.68 114.94 117.43 3h6i s ASN 45 Ca 0.49 -0.79 0.24 0.00 0.42 0.00 0.00 52.86 53.21 3h6i s ASN 45 Cb -0.09 0.35 1.11 0.00 -1.45 0.00 0.00 41.25 41.18 3h6i s ASN 45 CO 0.29 -0.39 1.93 1.55 -3.72 0.00 0.00 177.10 176.76 3h6i h PRO 46 N 8.29 0.00 -6.89 0.43 0.13 -1.83 -3.29 132.00 128.85 3h6i h PRO 46 Ca -0.15 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.48 3h6i h PRO 46 Cb 1.07 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.24 3h6i h PRO 46 CO 0.35 0.21 0.51 0.45 -0.23 0.00 0.00 178.00 179.29 3h6i s SER 47 N -6.29 6.82 0.07 1.44 0.15 -1.26 -4.79 113.70 109.84 3h6i s SER 47 Ca -0.01 2.34 0.23 0.00 0.70 0.00 0.00 55.95 59.21 3h6i s SER 47 Cb 0.12 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.77 3h6i s SER 47 CO 0.63 -0.47 0.93 -2.11 1.20 0.00 0.00 173.24 173.42 3h6i n ARG 48 N 0.52 0.43 0.00 5.44 1.85 -1.26 -4.57 116.66 119.06 3h6i n ARG 48 Ca 0.02 -0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3h6i n ARG 48 Cb 0.46 -1.63 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 -2.18 4.77 -4.41 2.89 3.41 -1.26 -4.94 113.62 111.90 3h6i n SER 49 Ca 0.00 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.17 3h6i n SER 49 Cb 0.49 0.66 -0.03 0.00 -0.26 0.00 0.00 64.21 65.07 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 -3.47 5.30 0.21 1.04 1.43 -1.26 -5.03 118.68 116.89 3h6i s LEU 50 Ca 0.00 -1.86 -0.29 0.00 -1.03 0.00 0.00 54.13 50.95 3h6i s LEU 50 Cb 0.00 -2.35 -0.08 0.00 0.03 0.00 0.00 46.19 43.79 3h6i s LEU 50 CO 0.00 -1.05 0.91 -1.10 0.23 0.00 0.00 176.35 175.34 3h6i s GLN 51 N 2.49 4.79 -0.01 1.70 -0.21 -1.26 -4.84 119.66 122.32 3h6i s GLN 51 Ca 0.24 1.43 0.14 0.00 0.02 0.00 0.00 55.36 57.18 3h6i s GLN 51 Cb -0.12 -3.29 -0.19 0.00 1.00 0.00 0.00 33.01 30.41 3h6i s GLN 51 CO -0.03 0.49 0.37 1.63 -2.12 0.00 0.00 175.29 175.63 3h6i n LYS 52 N 1.67 0.99 -4.92 2.91 5.02 -1.26 -4.97 118.16 117.59 3h6i n LYS 52 Ca -0.02 -0.09 -0.32 0.00 -2.02 0.00 0.00 58.31 55.86 3h6i n LYS 52 Cb 0.48 -1.27 -0.14 0.00 -0.02 0.00 0.00 35.03 34.08 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 -2.76 2.76 0.08 -0.18 1.01 -1.26 -1.41 121.20 119.44 3h6i s ILE 53 Ca -0.02 -0.94 -0.26 0.00 0.00 0.00 0.00 60.65 59.43 3h6i s ILE 53 Cb 0.09 -2.08 0.07 0.00 0.01 0.00 0.00 42.46 40.55 3h6i s ILE 53 CO 0.56 0.52 0.64 -0.55 0.00 0.00 0.00 174.94 176.11 3h6i s SER 54 N -0.90 -0.60 0.40 3.58 0.15 0.25 -4.99 113.70 111.58 3h6i s SER 54 Ca 0.12 0.27 -0.25 0.00 0.70 0.00 0.00 55.95 56.80 3h6i s SER 54 Cb -0.10 0.57 -0.09 0.00 -1.71 0.00 0.00 66.02 64.69 3h6i s SER 54 CO 0.01 -0.82 1.12 -0.70 1.20 0.00 0.00 173.24 174.05 3h6i s GLU 55 N -2.76 4.10 -0.03 5.44 2.12 -1.26 0.04 118.70 126.35 3h6i s GLU 55 Ca -0.03 1.70 -0.03 0.00 0.36 0.00 0.00 54.97 56.96 3h6i s GLU 55 Cb -0.01 -2.62 -0.02 0.00 0.26 0.00 0.00 34.13 31.74 3h6i s GLU 55 CO -0.04 -0.24 -0.07 1.28 -0.54 0.00 0.00 175.26 175.64 3h6i n LEU 56 N 0.02 0.65 0.00 2.70 4.77 -0.64 -4.77 117.00 119.73 3h6i n LEU 56 Ca 0.05 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.07 3h6i n LEU 56 Cb 0.48 -0.24 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 3h6i n LEU 56 CO 0.48 -0.10 0.06 0.00 -1.33 0.00 0.00 177.39 176.50 3h6i n TYR 57 N -3.38 -0.81 -0.11 -1.77 9.36 -0.94 -4.79 117.16 114.71 3h6i n TYR 57 Ca -0.09 -0.88 -0.07 0.00 3.32 0.00 0.00 57.90 60.19 3h6i n TYR 57 Cb 0.45 0.21 0.01 0.00 -0.63 0.00 0.00 39.34 39.38 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 0.74 0.26 -0.19 2.98 3.32 -1.94 -2.85 116.42 118.73 3h6i h ASP 58 Ca -0.10 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.97 3h6i h ASP 58 Cb 0.44 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3h6i h ASP 58 CO 0.14 0.19 0.00 0.54 -1.72 0.00 0.00 179.24 178.39 3h6i n ARG 59 N -4.94 1.74 -4.62 3.56 5.12 -1.26 -1.61 116.66 114.65 3h6i n ARG 59 Ca 0.01 -1.64 -0.33 0.00 -1.93 0.00 0.00 57.85 53.95 3h6i n ARG 59 Cb 0.10 -1.26 -0.12 0.00 -1.16 0.00 0.00 32.46 30.02 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 -0.99 3.55 0.33 1.55 1.01 -1.08 -2.25 120.40 122.52 3h6i s VAL 60 Ca 0.19 -0.51 0.08 0.00 0.00 0.00 0.00 61.98 61.74 3h6i s VAL 60 Cb 0.11 -2.49 -0.06 0.00 0.00 0.00 0.00 36.38 33.94 3h6i s VAL 60 CO 0.16 0.55 -0.07 -0.83 0.00 0.00 0.00 175.10 174.91 3h6i s GLY 61 N -0.20 2.10 0.02 4.51 0.00 0.29 -1.63 107.32 112.42 3h6i s GLY 61 Ca 0.02 -2.05 0.03 0.00 0.00 0.00 0.00 44.72 42.72 3h6i s GLY 61 CO 0.03 -1.97 -0.09 -0.12 0.00 0.00 0.00 173.10 170.95 3h6i s PHE 62 N -2.79 0.83 -0.15 1.90 2.19 0.11 -1.81 117.98 118.25 3h6i s PHE 62 Ca 0.32 -0.32 -0.17 0.00 0.33 0.00 0.00 56.93 57.10 3h6i s PHE 62 Cb 0.04 -0.50 0.04 0.00 -1.31 0.00 0.00 43.02 41.29 3h6i s PHE 62 CO 0.15 -0.02 0.46 0.00 1.83 0.00 0.00 175.22 177.64 3h6i s ALA 63 N -0.78 -1.14 0.13 11.12 0.00 -0.37 -0.58 121.76 130.14 3h6i s ALA 63 Ca -0.02 1.19 -0.08 0.00 0.00 0.00 0.00 51.96 53.06 3h6i s ALA 63 Cb -0.07 -0.62 -0.01 0.00 0.00 0.00 0.00 23.12 22.42 3h6i s ALA 63 CO 0.00 -0.23 0.21 0.00 0.00 0.00 0.00 175.76 175.74 3h6i s ALA 64 N -0.01 0.02 -0.01 0.00 0.00 -0.50 0.17 121.76 121.43 3h6i s ALA 64 Ca -0.02 -0.85 -0.01 0.00 0.00 0.00 0.00 51.96 51.08 3h6i s ALA 64 Cb -0.03 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.77 3h6i s ALA 64 CO 0.02 -0.56 0.02 0.00 0.00 0.00 0.00 175.76 175.23 3h6i s ALA 65 N -3.93 -0.04 0.00 0.00 0.00 -0.47 -4.86 121.76 112.45 3h6i s ALA 65 Ca 0.12 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3h6i s ALA 65 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.15 3h6i s ALA 65 CO -0.05 -0.03 0.00 0.41 0.00 0.00 0.00 175.76 176.10 3h6i n GLY 66 N 2.92 0.63 3.63 0.00 0.00 -1.26 -1.19 105.19 109.92 3h6i n GLY 66 Ca -0.13 -1.73 -0.43 0.00 0.00 0.00 0.00 46.02 43.73 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 3.89 0.15 1.61 2.20 -0.30 -4.90 119.74 120.91 3h6i s LYS 67 Ca 0.00 1.39 -0.30 0.00 -0.36 0.00 0.00 55.97 56.70 3h6i s LYS 67 Cb 0.00 -3.92 -0.05 0.00 -1.51 0.00 0.00 37.83 32.35 3h6i s LYS 67 CO 0.00 -1.15 1.56 0.35 -0.36 0.00 0.00 175.35 175.74 3h6i h PHE 68 N 9.67 -1.55 -0.94 4.03 3.57 -1.96 -1.74 116.94 128.03 3h6i h PHE 68 Ca -0.28 0.08 0.23 0.00 3.53 0.00 0.00 57.97 61.53 3h6i h PHE 68 Cb 1.11 0.74 -0.07 0.00 2.79 0.00 0.00 35.95 40.53 3h6i h PHE 68 CO 0.89 -0.46 0.62 -2.95 -2.23 0.00 0.00 178.31 174.18 3h6i h ASN 69 N -0.32 0.35 0.08 0.41 -0.00 -1.99 0.35 115.58 114.46 3h6i h ASN 69 Ca 0.12 0.04 -0.19 0.00 -0.00 0.00 0.00 56.30 56.27 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 -0.64 0.12 -0.79 -0.33 -0.00 0.00 0.00 177.43 175.79 3h6i h GLU 70 N 0.34 0.40 0.00 4.14 5.08 -1.79 -2.89 114.58 119.86 3h6i h GLU 70 Ca 0.49 -0.53 -0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3h6i h GLU 70 Cb 1.33 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 3h6i h GLU 70 CO -0.17 1.20 -0.27 0.27 -1.00 0.00 0.00 179.01 179.04 3h6i h PHE 71 N -0.15 0.00 -0.10 4.33 -5.15 -0.48 -2.82 116.94 112.56 3h6i h PHE 71 Ca -0.12 0.00 -0.15 0.00 -0.20 0.00 0.00 57.97 57.50 3h6i h PHE 71 Cb 1.54 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.70 3h6i h PHE 71 CO 0.16 0.27 -0.60 0.22 -2.00 0.00 0.00 178.31 176.37 3h6i h ASP 72 N 0.00 0.39 -0.45 -0.68 3.58 -1.06 0.93 116.42 119.13 3h6i h ASP 72 Ca -0.00 -0.22 -0.05 0.00 0.42 0.00 0.00 57.03 57.17 3h6i h ASP 72 Cb 1.15 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 42.06 3h6i h ASP 72 CO 0.04 0.90 0.10 -1.13 -2.88 0.00 0.00 179.24 176.26 3h6i h ASN 73 N 0.26 0.75 0.66 2.28 -1.24 -1.31 -1.06 115.58 115.91 3h6i h ASN 73 Ca -0.00 -0.14 -0.22 0.00 0.71 0.00 0.00 56.30 56.64 3h6i h ASN 73 Cb 1.12 -0.20 -0.01 0.00 0.73 0.00 0.00 38.32 39.96 3h6i h ASN 73 CO 0.10 0.76 -0.99 -0.07 -1.29 0.00 0.00 177.43 175.94 3h6i h LEU 74 N 0.77 0.26 -0.58 0.34 3.38 -1.21 -1.97 115.31 116.30 3h6i h LEU 74 Ca 0.17 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3h6i h LEU 74 Cb 0.32 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3h6i h LEU 74 CO 0.00 1.10 0.28 -0.09 0.09 0.00 0.00 178.44 179.82 3h6i h ARG 75 N 0.09 0.84 -0.27 1.13 2.43 -0.36 -1.28 114.38 116.96 3h6i h ARG 75 Ca -0.06 -0.12 -0.10 0.00 -0.81 0.00 0.00 59.98 58.88 3h6i h ARG 75 Cb 1.66 -0.15 -0.00 0.00 -0.42 0.00 0.00 29.97 31.06 3h6i h ARG 75 CO 0.15 0.68 -0.24 0.00 -1.51 0.00 0.00 179.97 179.05 3h6i h ARG 76 N 0.79 0.64 0.00 0.20 3.08 -1.20 -2.50 114.38 115.39 3h6i h ARG 76 Ca 0.20 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.90 3h6i h ARG 76 Cb 0.12 0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 3h6i h ARG 76 CO -0.03 0.93 -0.13 0.78 -1.07 0.00 0.00 179.97 180.45 3h6i h GLY 77 N 0.37 0.00 2.00 0.04 0.00 -1.19 -1.46 103.07 102.83 3h6i h GLY 77 Ca 0.05 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.22 3h6i h GLY 77 CO 0.06 0.00 -0.74 -1.33 0.00 0.00 0.00 176.54 174.53 3h6i h GLY 78 N 0.46 0.00 1.72 4.60 0.00 -1.11 -2.32 103.07 106.42 3h6i h GLY 78 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3h6i h GLY 78 CO 0.02 0.00 -1.12 -2.22 0.00 0.00 0.00 176.54 173.21 3h6i h ILE 79 N 0.00 1.54 -0.36 2.60 2.04 -0.93 -1.94 117.51 120.45 3h6i h ILE 79 Ca -0.01 -3.04 -0.14 0.00 1.00 0.00 0.00 64.86 62.67 3h6i h ILE 79 Cb 1.57 2.83 -0.01 0.00 -0.74 0.00 0.00 36.82 40.47 3h6i h ILE 79 CO 0.10 0.88 -0.31 1.56 0.00 0.00 0.00 178.15 180.38 3h6i h GLN 80 N 0.07 0.85 -0.08 2.37 4.20 -1.30 -1.91 115.11 119.31 3h6i h GLN 80 Ca -0.09 -0.43 -0.00 0.00 0.06 0.00 0.00 58.65 58.18 3h6i h GLN 80 Cb 1.84 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 29.63 3h6i h GLN 80 CO 0.18 1.07 0.04 0.35 -0.67 0.00 0.00 178.83 179.79 3h6i h PHE 81 N 0.64 0.12 -0.53 2.96 3.57 -1.43 -2.10 116.94 120.18 3h6i h PHE 81 Ca 0.06 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3h6i h PHE 81 Cb 0.89 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.57 3h6i h PHE 81 CO 0.06 0.21 0.16 0.00 -2.23 0.00 0.00 178.31 176.51 3h6i h ALA 82 N 0.90 0.69 -0.31 2.41 0.00 -1.29 -0.84 119.26 120.82 3h6i h ALA 82 Ca 0.03 -0.19 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3h6i h ALA 82 Cb 0.14 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3h6i h ALA 82 CO -0.00 0.36 -0.18 -0.44 0.00 0.00 0.00 179.25 178.99 3h6i h ASP 83 N 0.73 0.56 -0.19 0.00 3.32 -1.36 -0.75 116.42 118.73 3h6i h ASP 83 Ca 0.17 -0.17 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3h6i h ASP 83 Cb 0.29 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.69 3h6i h ASP 83 CO -0.00 0.76 -0.43 0.74 -1.72 0.00 0.00 179.24 178.58 3h6i h THR 84 N 0.51 1.33 -0.20 0.35 2.02 -1.17 -2.48 112.91 113.28 3h6i h THR 84 Ca 0.08 -1.67 -0.01 0.00 0.77 0.00 0.00 66.41 65.59 3h6i h THR 84 Cb 0.60 1.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.89 3h6i h THR 84 CO 0.04 0.52 0.08 0.03 0.37 0.00 0.00 175.52 176.55 3h6i h ARG 85 N 0.31 0.31 -0.16 6.66 2.47 -1.04 -1.38 114.38 121.55 3h6i h ARG 85 Ca 0.00 -0.06 -0.05 0.00 -1.26 0.00 0.00 59.98 58.61 3h6i h ARG 85 Cb 1.04 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 29.30 3h6i h ARG 85 CO 0.09 0.38 -0.12 0.78 0.56 0.00 0.00 179.97 181.66 3h6i h GLY 86 N 0.17 0.27 1.24 0.04 0.00 -1.15 -0.42 103.07 103.21 3h6i h GLY 86 Ca 0.07 -0.16 -0.28 0.00 0.00 0.00 0.00 47.33 46.96 3h6i h GLY 86 CO -0.00 0.15 -1.12 -1.82 0.00 0.00 0.00 176.54 173.75 3h6i h TYR 87 N 0.24 1.01 0.00 5.60 3.20 -1.21 -3.13 116.97 122.67 3h6i h TYR 87 Ca 0.05 -0.58 -0.09 0.00 3.14 0.00 0.00 58.73 61.25 3h6i h TYR 87 Cb 0.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.52 3h6i h TYR 87 CO 0.01 1.42 -0.43 0.00 -1.64 0.00 0.00 178.16 177.52 3h6i h ALA 88 N 0.38 0.77 -3.00 1.82 0.00 -0.97 -3.45 119.26 114.81 3h6i h ALA 88 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.37 3h6i h ALA 88 Cb 1.78 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.50 3h6i h ALA 88 CO 0.22 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.66 3h6i n TYR 89 N -3.28 0.00 -3.72 0.00 4.01 -0.19 -5.09 117.16 108.89 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 0.66 0.00 -0.04 0.00 -0.31 0.00 0.00 39.34 39.65 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 0.78 -0.23 0.54 7.72 1.47 -1.18 -4.99 116.67 120.78 3h6i s ASP 90 Ca 0.00 -0.46 0.20 0.00 1.18 0.00 0.00 52.55 53.47 3h6i s ASP 90 Cb 0.00 0.53 1.43 0.00 -0.34 0.00 0.00 42.92 44.54 3h6i s ASP 90 CO 0.00 -0.97 2.18 0.03 0.68 0.00 0.00 175.17 177.08 3h6i h ARG 91 N 2.28 0.00 0.00 2.11 3.08 -1.91 -2.53 114.38 117.41 3h6i h ARG 91 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 3h6i h ARG 91 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.31 3h6i h ARG 91 CO 0.41 0.01 0.00 -0.09 -1.07 0.00 0.00 179.97 179.23 3h6i h ARG 92 N 0.00 0.00 0.00 0.04 2.43 -1.96 -2.79 114.38 112.10 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 0.01 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.56 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 -3.21 -3.80 3.58 -1.83 -3.41 116.42 107.76 3h6i h ASP 93 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 3h6i h ASP 93 Cb 0.48 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.47 3h6i h ASP 93 CO 0.00 0.25 0.79 -0.69 -2.88 0.00 0.00 179.24 176.72 3h6i s VAL 94 N -4.24 4.61 0.23 2.25 1.01 -1.05 -4.93 120.40 118.28 3h6i s VAL 94 Ca -0.03 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.82 3h6i s VAL 94 Cb 0.14 -4.35 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 3h6i s VAL 94 CO 0.67 -0.32 0.02 0.42 0.00 0.00 0.00 175.10 175.90 3h6i s THR 95 N 3.39 0.83 0.13 3.92 -4.23 -1.26 -4.96 115.64 113.45 3h6i s THR 95 Ca 0.44 -2.01 -0.14 0.00 -1.18 0.00 0.00 61.69 58.80 3h6i s THR 95 Cb -0.14 -2.37 -0.02 0.00 1.34 0.00 0.00 72.50 71.31 3h6i s THR 95 CO 0.11 -0.28 1.54 1.23 -0.54 0.00 0.00 174.62 176.68 3h6i h GLY 96 N 2.50 0.85 0.30 3.99 0.00 -1.94 -1.88 103.07 106.89 3h6i h GLY 96 Ca -0.38 -0.69 0.10 0.00 0.00 0.00 0.00 47.33 46.36 3h6i h GLY 96 CO 0.63 0.63 0.12 -0.09 0.00 0.00 0.00 176.54 177.84 3h6i h ARG 97 N 0.60 0.26 0.06 4.80 2.43 -1.96 0.15 114.38 120.72 3h6i h ARG 97 Ca 0.11 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.26 3h6i h ARG 97 Cb 0.60 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 3h6i h ARG 97 CO 0.04 0.17 -0.03 0.37 -1.51 0.00 0.00 179.97 179.01 3h6i h GLN 98 N 0.27 -0.08 -0.55 0.20 4.15 -1.87 0.22 115.11 117.44 3h6i h GLN 98 Ca 0.28 0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.67 3h6i h GLN 98 Cb 0.39 0.02 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 3h6i h GLN 98 CO -0.35 0.14 0.21 -0.07 -1.93 0.00 0.00 178.83 176.83 3h6i h LEU 99 N -0.29 0.74 -0.43 -2.39 3.38 -0.98 -0.59 115.31 114.74 3h6i h LEU 99 Ca -0.01 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.74 3h6i h LEU 99 Cb 0.25 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 3h6i h LEU 99 CO 0.01 0.67 -0.22 0.00 0.09 0.00 0.00 178.44 179.00 3h6i h ALA 100 N 1.43 0.61 -0.54 1.53 0.00 -0.49 -0.95 119.26 120.86 3h6i h ALA 100 Ca 0.19 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 3h6i h ALA 100 Cb 0.18 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3h6i h ALA 100 CO -0.02 0.59 0.29 -0.97 0.00 0.00 0.00 179.25 179.15 3h6i h ASN 101 N 0.74 0.67 -0.62 0.00 -0.73 -0.58 0.12 115.58 115.18 3h6i h ASN 101 Ca 0.09 -0.09 -0.07 0.00 1.87 0.00 0.00 56.30 58.10 3h6i h ASN 101 Cb 0.79 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 39.19 3h6i h ASN 101 CO 0.07 0.57 0.10 0.58 -0.37 0.00 0.00 177.43 178.38 3h6i h VAL 102 N 0.72 1.26 -0.58 2.57 2.07 -0.81 -1.98 116.25 119.50 3h6i h VAL 102 Ca 0.19 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.63 3h6i h VAL 102 Cb 0.05 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 30.50 3h6i h VAL 102 CO -0.03 0.37 0.07 1.88 0.02 0.00 0.00 177.57 179.88 3h6i h TYR 103 N 0.93 1.00 -0.47 1.57 0.05 -0.82 -1.09 116.97 118.15 3h6i h TYR 103 Ca 0.19 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.84 3h6i h TYR 103 Cb 0.43 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.87 3h6i h TYR 103 CO 0.03 0.86 0.30 0.00 -1.05 0.00 0.00 178.16 178.30 3h6i h ALA 104 N 1.19 0.59 -0.48 3.88 0.00 -0.65 0.25 119.26 124.04 3h6i h ALA 104 Ca 0.18 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 3h6i h ALA 104 Cb 0.42 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3h6i h ALA 104 CO 0.01 0.06 0.06 1.96 0.00 0.00 0.00 179.25 181.34 3h6i h GLN 105 N 0.63 0.81 -0.06 0.00 1.08 -1.20 0.24 115.11 116.60 3h6i h GLN 105 Ca 0.17 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.13 3h6i h GLN 105 Cb -0.04 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 27.30 3h6i h GLN 105 CO -0.03 0.82 -0.02 1.15 -0.95 0.00 0.00 178.83 179.80 3h6i h THR 106 N 0.68 1.29 -0.52 -0.54 2.02 -0.80 -1.53 112.91 113.51 3h6i h THR 106 Ca 0.14 -0.92 -0.10 0.00 0.77 0.00 0.00 66.41 66.31 3h6i h THR 106 Cb 0.42 1.79 -0.02 0.00 -1.74 0.00 0.00 68.15 68.59 3h6i h THR 106 CO 0.01 0.25 -0.06 -0.07 0.37 0.00 0.00 175.52 176.02 3h6i h LEU 107 N -0.22 0.92 -1.06 2.58 3.38 -0.49 -1.36 115.31 119.05 3h6i h LEU 107 Ca 0.02 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.71 3h6i h LEU 107 Cb 0.41 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 3h6i h LEU 107 CO 0.01 1.01 0.49 1.23 0.09 0.00 0.00 178.44 181.26 3h6i h GLY 108 N 0.98 1.22 1.14 0.83 0.00 -0.89 0.13 103.07 106.47 3h6i h GLY 108 Ca 0.14 -0.51 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 3h6i h GLY 108 CO 0.04 0.50 -0.53 -0.84 0.00 0.00 0.00 176.54 175.70 3h6i h THR 109 N 1.15 1.27 -0.09 4.70 2.02 -1.00 -2.76 112.91 118.21 3h6i h THR 109 Ca 0.30 -1.72 -0.00 0.00 0.77 0.00 0.00 66.41 65.76 3h6i h THR 109 Cb -0.03 1.63 -0.00 0.00 -1.74 0.00 0.00 68.15 68.01 3h6i h THR 109 CO -0.05 0.56 0.04 0.40 0.37 0.00 0.00 175.52 176.83 3h6i h ILE 110 N 0.66 1.13 -0.49 3.11 2.04 -0.46 0.69 117.51 124.19 3h6i h ILE 110 Ca 0.02 -0.39 0.12 0.00 1.00 0.00 0.00 64.86 65.60 3h6i h ILE 110 Cb 1.14 1.23 -0.02 0.00 -0.74 0.00 0.00 36.82 38.44 3h6i h ILE 110 CO 0.12 0.12 0.34 0.15 0.00 0.00 0.00 178.15 178.88 3h6i h PHE 111 N -0.00 0.14 0.00 1.37 3.57 -0.75 -2.60 116.94 118.66 3h6i h PHE 111 Ca 0.03 0.00 -0.16 0.00 3.53 0.00 0.00 57.97 61.38 3h6i h PHE 111 Cb 0.15 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 38.82 3h6i h PHE 111 CO -0.02 0.06 -1.16 2.41 -2.23 0.00 0.00 178.31 177.37 3h6i n THR 112 N -4.43 1.49 0.14 4.41 -1.04 -1.04 -4.78 114.28 109.03 3h6i n THR 112 Ca 0.08 0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.89 3h6i n THR 112 Cb 0.48 -2.18 -0.16 0.00 -1.82 0.00 0.00 70.33 66.65 3h6i n THR 112 CO 0.00 0.00 0.00 -0.33 -0.64 0.00 0.00 175.07 174.10 3h6i h GLU 113 N -1.00 0.50 -7.34 -2.82 3.07 -0.85 -3.48 114.58 102.65 3h6i h GLU 113 Ca -0.23 -0.86 -0.49 0.00 -0.50 0.00 0.00 59.36 57.28 3h6i h GLU 113 Cb 1.03 0.32 0.07 0.00 -0.84 0.00 0.00 28.75 29.33 3h6i h GLU 113 CO -0.14 1.41 0.35 -0.65 -1.40 0.00 0.00 179.01 178.58 3h6i s GLN 114 N -2.61 3.10 0.26 2.33 -0.21 -0.98 -5.01 119.66 116.54 3h6i s GLN 114 Ca -0.08 0.43 -0.03 0.00 0.02 0.00 0.00 55.36 55.70 3h6i s GLN 114 Cb 0.05 -2.11 0.34 0.00 1.00 0.00 0.00 33.01 32.28 3h6i s GLN 114 CO 0.94 -0.80 1.83 0.00 -2.12 0.00 0.00 175.29 175.14 3h6i h ALA 115 N -0.42 1.19 -3.82 6.09 0.00 -1.93 -3.43 119.26 116.94 3h6i h ALA 115 Ca -0.45 -0.18 -0.46 0.00 0.00 0.00 0.00 54.91 53.82 3h6i h ALA 115 Cb 1.23 -0.26 -0.31 0.00 0.00 0.00 0.00 17.79 18.45 3h6i h ALA 115 CO 0.63 0.58 -0.80 0.21 0.00 0.00 0.00 179.25 179.87 3h6i s LYS 116 N -5.40 1.17 0.76 0.00 2.20 -1.26 -5.13 119.74 112.08 3h6i s LYS 116 Ca -0.11 -0.38 -0.11 0.00 -0.36 0.00 0.00 55.97 55.01 3h6i s LYS 116 Cb 0.16 -1.06 0.05 0.00 -1.51 0.00 0.00 37.83 35.46 3h6i s LYS 116 CO 0.81 0.14 1.09 -1.25 -0.36 0.00 0.00 175.35 175.79 3h6i s PRO 117 N 0.17 2.39 0.01 4.03 0.04 -1.26 -4.88 135.00 135.50 3h6i s PRO 117 Ca -0.04 0.61 -0.30 0.00 0.04 0.00 0.00 61.00 61.32 3h6i s PRO 117 Cb -0.09 -1.96 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3h6i s PRO 117 CO 0.01 -1.40 1.04 0.71 0.04 0.00 0.00 177.00 177.40 3h6i s TYR 118 N -3.21 3.59 -1.36 0.56 1.51 -1.26 -4.89 117.35 112.29 3h6i s TYR 118 Ca 0.60 1.58 -0.10 0.00 -1.01 0.00 0.00 57.07 58.15 3h6i s TYR 118 Cb -0.13 -3.21 0.10 0.00 -0.11 0.00 0.00 41.96 38.61 3h6i s TYR 118 CO 0.54 -0.37 2.17 0.39 -1.11 0.00 0.00 175.55 177.17 3h6i n GLU 119 N 3.95 3.68 -4.00 -0.62 1.02 -1.26 -4.72 120.64 118.70 3h6i n GLU 119 Ca 0.07 -3.18 -0.08 0.00 -0.02 0.00 0.00 57.16 53.94 3h6i n GLU 119 Cb 0.50 -2.92 -0.09 0.00 -0.02 0.00 0.00 31.44 28.90 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 0.81 0.17 -0.03 2.62 -7.23 -1.26 -1.14 120.40 114.34 3h6i s VAL 120 Ca 0.47 -1.43 0.00 0.00 -1.81 0.00 0.00 61.98 59.21 3h6i s VAL 120 Cb 0.13 -1.22 0.03 0.00 0.56 0.00 0.00 36.38 35.88 3h6i s VAL 120 CO -0.04 -0.79 0.00 -0.70 -0.31 0.00 0.00 175.10 173.26 3h6i s GLU 121 N -3.36 0.32 0.11 4.82 2.12 -0.33 -3.11 118.70 119.26 3h6i s GLU 121 Ca 0.02 0.09 0.10 0.00 0.36 0.00 0.00 54.97 55.54 3h6i s GLU 121 Cb 0.04 -0.55 -0.04 0.00 0.26 0.00 0.00 34.13 33.84 3h6i s GLU 121 CO -0.08 -0.16 -0.23 -0.51 -0.54 0.00 0.00 175.26 173.73 3h6i s LEU 122 N 1.20 2.46 -0.09 2.70 1.02 0.09 -1.37 118.68 124.68 3h6i s LEU 122 Ca -0.07 -0.64 0.01 0.00 0.02 0.00 0.00 54.13 53.45 3h6i s LEU 122 Cb -0.13 -1.36 0.02 0.00 0.02 0.00 0.00 46.19 44.73 3h6i s LEU 122 CO -0.02 0.19 -0.12 0.00 0.02 0.00 0.00 176.35 176.42 3h6i s VAL 124 N 1.02 2.92 0.17 0.00 1.01 -0.65 -1.23 120.40 123.64 3h6i s VAL 124 Ca -0.07 -0.68 0.10 0.00 0.00 0.00 0.00 61.98 61.33 3h6i s VAL 124 Cb -0.15 -2.26 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 3h6i s VAL 124 CO -0.01 0.50 -0.21 0.00 0.00 0.00 0.00 175.10 175.37 3h6i s ALA 125 N 0.85 2.23 -0.05 5.51 0.00 -0.75 -0.52 121.76 129.03 3h6i s ALA 125 Ca -0.04 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.36 3h6i s ALA 125 Cb -0.15 -0.26 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3h6i s ALA 125 CO -0.00 0.34 0.12 -2.00 0.00 0.00 0.00 175.76 174.23 3h6i s GLU 126 N -2.64 0.11 0.40 0.00 2.12 -0.51 -0.54 118.70 117.65 3h6i s GLU 126 Ca 0.17 0.23 0.08 0.00 0.36 0.00 0.00 54.97 55.81 3h6i s GLU 126 Cb -0.07 -0.03 -0.06 0.00 0.26 0.00 0.00 34.13 34.23 3h6i s GLU 126 CO 0.08 -0.07 0.14 0.14 -0.54 0.00 0.00 175.26 175.01 3h6i s VAL 127 N 0.48 2.34 0.78 3.70 -7.23 -0.95 -0.87 120.40 118.65 3h6i s VAL 127 Ca -0.03 -1.76 -0.12 0.00 -1.81 0.00 0.00 61.98 58.25 3h6i s VAL 127 Cb -0.05 -2.98 0.06 0.00 0.56 0.00 0.00 36.38 33.98 3h6i s VAL 127 CO -0.02 -0.03 1.13 0.00 -0.31 0.00 0.00 175.10 175.87 3h6i s ALA 128 N -2.59 2.07 0.71 1.32 0.00 -1.26 -4.85 121.76 117.16 3h6i s ALA 128 Ca 0.40 0.53 -0.11 0.00 0.00 0.00 0.00 51.96 52.78 3h6i s ALA 128 Cb 0.04 -3.37 0.02 0.00 0.00 0.00 0.00 23.12 19.81 3h6i s ALA 128 CO 0.22 -1.94 1.07 -1.01 0.00 0.00 0.00 175.76 174.09 3h6i s HIS 129 N -2.54 3.06 0.21 0.00 3.76 -1.26 -4.80 115.29 113.72 3h6i s HIS 129 Ca 0.66 1.38 -0.32 0.00 -0.15 0.00 0.00 55.06 56.63 3h6i s HIS 129 Cb -0.22 -2.92 -0.13 0.00 1.11 0.00 0.00 32.58 30.42 3h6i s HIS 129 CO 0.51 -1.32 1.52 0.98 -0.85 0.00 0.00 174.74 175.59 3h6i n TYR 130 N -3.18 2.32 -1.02 1.40 9.36 -1.26 -2.24 117.16 122.54 3h6i n TYR 130 Ca 0.07 0.32 -0.01 0.00 3.32 0.00 0.00 57.90 61.60 3h6i n TYR 130 Cb 0.54 -2.52 -0.00 0.00 -0.63 0.00 0.00 39.34 36.72 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 2.85 0.43 3.59 2.98 0.00 -1.26 -5.02 105.19 108.76 3h6i n GLY 131 Ca 0.14 -0.11 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.74 2.11 -0.30 1.61 2.02 -0.95 -5.11 118.70 117.35 3h6i s GLU 132 Ca 0.00 -1.37 0.03 0.00 0.02 0.00 0.00 54.97 53.65 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 0.40 -0.03 0.95 0.02 0.00 0.00 175.26 176.60 3h6i s THR 133 N -2.02 2.18 -0.06 3.63 -4.23 -1.26 -4.75 115.64 109.13 3h6i s THR 133 Ca 0.28 -1.95 -0.05 0.00 -1.18 0.00 0.00 61.69 58.78 3h6i s THR 133 Cb -0.07 -2.45 0.02 0.00 1.34 0.00 0.00 72.50 71.34 3h6i s THR 133 CO 0.17 -0.31 0.16 -0.75 -0.54 0.00 0.00 174.62 173.35 3h6i s LYS 134 N 1.02 0.17 0.22 3.99 2.20 -1.26 -5.11 119.74 120.97 3h6i s LYS 134 Ca 0.01 0.26 -0.30 0.00 -0.36 0.00 0.00 55.97 55.58 3h6i s LYS 134 Cb -0.19 0.03 -0.09 0.00 -1.51 0.00 0.00 37.83 36.07 3h6i s LYS 134 CO -0.07 -0.05 1.20 1.03 -0.36 0.00 0.00 175.35 177.10 3h6i s ARG 135 N 0.34 4.50 0.42 4.03 0.52 -1.26 -4.38 118.95 123.11 3h6i s ARG 135 Ca -0.02 1.91 -0.25 0.00 -0.52 0.00 0.00 55.73 56.85 3h6i s ARG 135 Cb -0.03 -3.21 -0.10 0.00 0.52 0.00 0.00 34.95 32.12 3h6i s ARG 135 CO -0.01 -0.05 1.13 -2.30 0.02 0.00 0.00 175.30 174.09 3h6i n PRO 136 N 2.08 1.61 -4.81 3.54 -0.02 -1.26 -4.85 135.00 131.30 3h6i n PRO 136 Ca 0.03 0.58 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 3h6i n PRO 136 Cb 0.44 -2.20 -0.13 0.00 -0.02 0.00 0.00 33.50 31.60 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 -2.10 2.66 -0.06 -0.52 2.02 -0.05 -4.98 118.70 115.66 3h6i s GLU 137 Ca 0.62 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3h6i s GLU 137 Cb -0.54 -2.46 0.02 0.00 0.10 0.00 0.00 34.13 31.25 3h6i s GLU 137 CO 0.57 0.59 -0.06 -0.51 0.02 0.00 0.00 175.26 175.87 3h6i s LEU 138 N -0.64 1.30 -0.00 1.80 1.02 -1.23 -1.42 118.68 119.51 3h6i s LEU 138 Ca 0.09 -0.19 0.08 0.00 0.02 0.00 0.00 54.13 54.14 3h6i s LEU 138 Cb -0.11 -0.60 -0.02 0.00 0.02 0.00 0.00 46.19 45.48 3h6i s LEU 138 CO 0.01 -0.06 -0.26 -0.31 0.02 0.00 0.00 176.35 175.76 3h6i s TYR 139 N 1.08 2.30 -0.17 0.29 1.51 0.32 -1.69 117.35 121.00 3h6i s TYR 139 Ca -0.08 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.54 3h6i s TYR 139 Cb -0.14 -1.45 -0.01 0.00 -0.11 0.00 0.00 41.96 40.25 3h6i s TYR 139 CO -0.01 0.01 -0.12 0.50 -1.11 0.00 0.00 175.55 174.82 3h6i s ARG 140 N -0.78 3.31 -0.14 -0.62 3.52 -0.60 -1.64 118.95 122.00 3h6i s ARG 140 Ca 0.10 -0.69 0.02 0.00 -0.13 0.00 0.00 55.73 55.03 3h6i s ARG 140 Cb -0.10 -2.74 0.01 0.00 -1.56 0.00 0.00 34.95 30.56 3h6i s ARG 140 CO -0.00 0.01 -0.21 0.42 -0.81 0.00 0.00 175.30 174.71 3h6i s ILE 141 N 0.87 2.19 0.34 4.11 1.09 0.55 -1.12 121.20 129.23 3h6i s ILE 141 Ca -0.03 -0.94 0.07 0.00 -1.10 0.00 0.00 60.65 58.65 3h6i s ILE 141 Cb -0.15 -1.88 -0.02 0.00 -1.06 0.00 0.00 42.46 39.35 3h6i s ILE 141 CO -0.00 0.54 0.36 0.42 -0.10 0.00 0.00 174.94 176.16 3h6i s THR 142 N 0.77 3.68 0.60 2.92 -4.23 -0.54 -0.74 115.64 118.10 3h6i s THR 142 Ca -0.08 -1.23 0.29 0.00 -1.18 0.00 0.00 61.69 59.49 3h6i s THR 142 Cb -0.16 -3.25 0.42 0.00 1.34 0.00 0.00 72.50 70.85 3h6i s THR 142 CO -0.01 -0.16 1.54 0.10 -0.54 0.00 0.00 174.62 175.56 3h6i h TYR 143 N 1.11 0.00 -0.01 3.99 -0.00 -1.83 -0.18 116.97 120.04 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 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.99 3h6i h TYR 143 CO 0.49 0.00 -0.46 -0.40 -0.00 0.00 0.00 178.16 177.79 3h6i n ASP 144 N -3.47 1.94 0.00 0.10 5.75 -1.26 -4.55 116.55 115.05 3h6i n ASP 144 Ca 0.19 -1.46 0.00 0.00 -0.01 0.00 0.00 54.79 53.52 3h6i n ASP 144 Cb 1.25 0.45 0.00 0.00 -1.03 0.00 0.00 41.12 41.80 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 1.41 1.04 3.74 6.12 0.00 -0.08 -4.11 105.19 113.32 3h6i n GLY 145 Ca 0.09 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 7.55 -0.07 1.61 0.01 -1.25 -4.74 113.70 114.81 3h6i s SER 146 Ca 0.00 1.85 0.05 0.00 1.31 0.00 0.00 55.95 59.16 3h6i s SER 146 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 3h6i s SER 146 CO 0.00 0.04 -0.22 -0.51 0.41 0.00 0.00 173.24 172.96 3h6i s ILE 147 N -0.52 1.83 -0.06 1.44 2.07 -1.26 -1.47 121.20 123.24 3h6i s ILE 147 Ca 0.44 -0.92 0.03 0.00 -1.41 0.00 0.00 60.65 58.80 3h6i s ILE 147 Cb -0.24 -1.57 0.00 0.00 0.13 0.00 0.00 42.46 40.78 3h6i s ILE 147 CO 0.31 0.51 -0.16 0.00 -1.91 0.00 0.00 174.94 173.69 3h6i s ALA 148 N 0.13 1.48 -0.48 1.50 0.00 -0.27 -4.98 121.76 119.13 3h6i s ALA 148 Ca -0.10 -0.61 -0.19 0.00 0.00 0.00 0.00 51.96 51.06 3h6i s ALA 148 Cb -0.15 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.46 3h6i s ALA 148 CO 0.05 0.21 0.61 0.34 0.00 0.00 0.00 175.76 176.98 3h6i s ASP 149 N 0.31 6.24 -0.20 0.00 -1.08 -1.26 -1.56 116.67 119.13 3h6i s ASP 149 Ca -0.10 -0.75 -0.09 0.00 -0.52 0.00 0.00 52.55 51.09 3h6i s ASP 149 Cb -0.14 -2.29 -0.05 0.00 -1.46 0.00 0.00 42.92 38.98 3h6i s ASP 149 CO 0.04 -0.84 0.11 -1.61 0.52 0.00 0.00 175.17 173.39 3h6i s GLU 150 N 2.64 4.12 0.28 4.34 0.41 -0.68 -5.02 118.70 124.80 3h6i s GLU 150 Ca 0.17 -0.26 0.23 0.00 -0.41 0.00 0.00 54.97 54.70 3h6i s GLU 150 Cb -0.18 -3.37 0.22 0.00 -1.78 0.00 0.00 34.13 29.02 3h6i s GLU 150 CO 0.14 0.28 1.33 -1.00 -0.49 0.00 0.00 175.26 175.52 3h6i h PRO 151 N 6.73 0.00 0.00 0.39 0.13 -1.94 -3.27 132.00 134.04 3h6i h PRO 151 Ca -0.40 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3h6i h PRO 151 Cb 1.16 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3h6i h PRO 151 CO 0.74 0.00 -1.06 0.72 -0.23 0.00 0.00 178.00 178.17 3h6i n HIS 152 N -2.75 0.00 -3.70 1.56 8.25 -1.26 -4.89 115.22 112.44 3h6i n HIS 152 Ca 0.02 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.38 3h6i n HIS 152 Cb 0.52 -0.04 -0.04 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.02 -0.13 -0.01 4.41 -0.12 -1.26 -2.10 117.98 116.75 3h6i s PHE 153 Ca -0.02 -0.20 0.02 0.00 -0.05 0.00 0.00 56.93 56.68 3h6i s PHE 153 Cb 0.01 0.30 -0.00 0.00 -0.63 0.00 0.00 43.02 42.69 3h6i s PHE 153 CO 0.02 -0.80 -0.06 0.08 -0.05 0.00 0.00 175.22 174.42 3h6i s VAL 154 N -3.84 0.47 -0.07 -2.49 1.01 0.54 -4.87 120.40 111.15 3h6i s VAL 154 Ca 0.07 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.82 3h6i s VAL 154 Cb 0.01 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3h6i s VAL 154 CO -0.07 0.14 -0.09 -0.69 0.00 0.00 0.00 175.10 174.39 3h6i s VAL 155 N -0.01 0.92 0.04 2.92 1.01 -1.26 -0.99 120.40 123.04 3h6i s VAL 155 Ca 0.01 -0.32 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3h6i s VAL 155 Cb -0.04 -0.90 -0.02 0.00 0.00 0.00 0.00 36.38 35.42 3h6i s VAL 155 CO -0.00 0.32 -0.09 -0.04 0.00 0.00 0.00 175.10 175.29 3h6i s MET 156 N 1.02 0.59 0.09 2.72 -1.94 0.44 -5.00 119.30 117.21 3h6i s MET 156 Ca -0.09 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.15 3h6i s MET 156 Cb -0.15 -0.43 0.00 0.00 2.01 0.00 0.00 34.83 36.27 3h6i s MET 156 CO -0.00 0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 3h6i n GLY 157 N 1.57 -2.90 7.00 -0.03 0.00 -1.26 -0.09 105.19 109.48 3h6i n GLY 157 Ca -0.21 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.52 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 -1.88 1.72 3.31 -0.02 0.00 -0.46 -4.18 105.19 103.68 3h6i n GLY 158 Ca -0.00 -0.63 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 5.21 0.14 2.61 -4.23 -1.26 -4.29 115.64 113.82 3h6i s THR 159 Ca 0.00 -1.69 -0.10 0.00 -1.18 0.00 0.00 61.69 58.72 3h6i s THR 159 Cb 0.00 -4.32 -0.07 0.00 1.34 0.00 0.00 72.50 69.45 3h6i s THR 159 CO 0.00 -0.89 1.44 0.71 -0.54 0.00 0.00 174.62 175.34 3h6i h THR 160 N 5.71 1.28 -0.50 3.99 1.35 -1.95 -3.39 112.91 119.39 3h6i h THR 160 Ca -0.23 -1.67 0.10 0.00 -0.55 0.00 0.00 66.41 64.06 3h6i h THR 160 Cb 1.09 1.55 -0.09 0.00 -1.73 0.00 0.00 68.15 68.97 3h6i h THR 160 CO 0.98 0.55 -0.07 -0.33 -0.25 0.00 0.00 175.52 176.40 3h6i h GLU 161 N 0.69 0.05 0.00 4.72 3.07 -1.96 0.11 114.58 121.25 3h6i h GLU 161 Ca 0.03 -0.00 -0.08 0.00 -0.50 0.00 0.00 59.36 58.81 3h6i h GLU 161 Cb 1.09 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.98 3h6i h GLU 161 CO 0.11 0.03 -0.37 -1.00 -1.40 0.00 0.00 179.01 176.38 3h6i h PRO 162 N 0.05 0.00 -0.01 2.33 0.13 -1.92 -1.33 132.00 131.25 3h6i h PRO 162 Ca 0.25 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 65.12 3h6i h PRO 162 Cb 0.38 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.53 3h6i h PRO 162 CO -0.48 0.37 -1.01 0.82 -0.23 0.00 0.00 178.00 177.48 3h6i h ILE 163 N 0.00 1.28 -0.50 -3.56 2.04 -1.62 -2.10 117.51 113.06 3h6i h ILE 163 Ca -0.00 -2.22 -0.10 0.00 1.00 0.00 0.00 64.86 63.54 3h6i h ILE 163 Cb 0.69 2.37 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 3h6i h ILE 163 CO 0.05 0.69 -0.06 0.00 0.00 0.00 0.00 178.15 178.83 3h6i h ALA 164 N 0.40 0.69 -0.26 1.87 0.00 -0.68 -2.54 119.26 118.73 3h6i h ALA 164 Ca -0.12 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.32 3h6i h ALA 164 Cb 1.66 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 19.27 3h6i h ALA 164 CO 0.20 0.55 -0.45 -0.91 0.00 0.00 0.00 179.25 178.64 3h6i h ASN 165 N 0.79 0.73 0.29 0.00 -0.26 -1.29 -1.36 115.58 114.48 3h6i h ASN 165 Ca 0.14 -0.35 -0.06 0.00 -0.56 0.00 0.00 56.30 55.47 3h6i h ASN 165 Cb 0.60 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.65 3h6i h ASN 165 CO 0.04 1.08 -0.27 0.00 -1.06 0.00 0.00 177.43 177.21 3h6i h ALA 166 N 0.95 1.52 0.23 -0.83 0.00 -1.30 -2.91 119.26 116.92 3h6i h ALA 166 Ca 0.03 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.37 3h6i h ALA 166 Cb 1.00 -0.04 0.03 0.00 0.00 0.00 0.00 17.79 18.78 3h6i h ALA 166 CO 0.09 0.34 -1.47 -0.07 0.00 0.00 0.00 179.25 178.15 3h6i h LEU 167 N 0.00 0.77 -1.86 0.00 3.38 -1.22 -2.56 115.31 113.81 3h6i h LEU 167 Ca -0.00 -0.93 0.19 0.00 0.09 0.00 0.00 57.88 57.24 3h6i h LEU 167 Cb 0.49 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 3h6i h LEU 167 CO 0.04 1.70 0.63 0.11 0.09 0.00 0.00 178.44 181.00 3h6i h LYS 168 N 0.08 0.00 0.00 1.13 1.57 -1.05 -0.73 116.57 117.58 3h6i h LYS 168 Ca -0.26 0.00 -0.43 0.00 -1.87 0.00 0.00 60.65 58.09 3h6i h LYS 168 Cb 2.10 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 34.35 3h6i h LYS 168 CO 0.24 0.00 -2.43 0.39 -0.57 0.00 0.00 179.45 177.08 3h6i n GLU 169 N -3.80 0.55 0.00 3.15 1.02 -1.20 -4.58 120.64 115.77 3h6i n GLU 169 Ca 0.13 0.23 0.14 0.00 -0.02 0.00 0.00 57.16 57.65 3h6i n GLU 169 Cb 0.87 -1.42 0.73 0.00 -0.02 0.00 0.00 31.44 31.61 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 -4.07 0.00 -4.63 1.62 3.41 -0.96 -4.84 113.62 104.14 3h6i n SER 170 Ca -0.50 -0.17 -0.43 0.00 -0.26 0.00 0.00 58.87 57.51 3h6i n SER 170 Cb 0.87 -0.27 -0.02 0.00 -0.26 0.00 0.00 64.21 64.52 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 -2.54 2.46 -0.20 7.33 5.04 -0.29 -4.98 117.35 124.17 3h6i s TYR 171 Ca 0.28 0.74 -0.06 0.00 -2.44 0.00 0.00 57.07 55.60 3h6i s TYR 171 Cb 0.19 -3.96 -0.03 0.00 0.35 0.00 0.00 41.96 38.51 3h6i s TYR 171 CO 0.43 -2.16 0.02 0.00 -1.34 0.00 0.00 175.55 172.50 3h6i s ALA 172 N 4.75 3.14 0.60 3.97 0.00 -1.26 -5.04 121.76 127.93 3h6i s ALA 172 Ca 0.62 -0.93 -0.17 0.00 0.00 0.00 0.00 51.96 51.48 3h6i s ALA 172 Cb -0.19 -1.83 -0.03 0.00 0.00 0.00 0.00 23.12 21.07 3h6i s ALA 172 CO 0.26 -0.07 1.12 -1.21 0.00 0.00 0.00 175.76 175.86 3h6i s GLU 173 N 0.85 3.06 -1.04 0.00 2.02 -1.26 -3.62 118.70 118.71 3h6i s GLU 173 Ca 0.02 1.50 -0.02 0.00 0.02 0.00 0.00 54.97 56.49 3h6i s GLU 173 Cb -0.14 -1.98 0.02 0.00 0.10 0.00 0.00 34.13 32.13 3h6i s GLU 173 CO 0.02 -1.06 0.12 0.09 0.02 0.00 0.00 175.26 174.45 3h6i n ASN 174 N -1.88 -3.70 -4.78 -0.19 3.02 -1.26 -4.95 115.26 101.52 3h6i n ASN 174 Ca 0.11 0.08 -0.35 0.00 -0.03 0.00 0.00 54.58 54.39 3h6i n ASN 174 Cb 0.51 -3.13 -0.01 0.00 -0.61 0.00 0.00 39.78 36.54 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 -2.65 2.77 1.19 5.41 0.00 -1.24 -4.45 121.76 122.79 3h6i s ALA 175 Ca 0.10 0.74 -0.19 0.00 0.00 0.00 0.00 51.96 52.61 3h6i s ALA 175 Cb -0.05 -3.32 0.28 0.00 0.00 0.00 0.00 23.12 20.03 3h6i s ALA 175 CO 0.12 -0.58 1.12 -1.54 0.00 0.00 0.00 175.76 174.88 3h6i s SER 176 N -1.85 1.05 0.05 0.00 1.04 -1.26 -1.87 113.70 110.86 3h6i s SER 176 Ca 0.70 0.63 -0.26 0.00 0.48 0.00 0.00 55.95 57.50 3h6i s SER 176 Cb -0.21 -0.87 -0.17 0.00 0.10 0.00 0.00 66.02 64.87 3h6i s SER 176 CO 0.24 -4.04 1.54 0.25 0.98 0.00 0.00 173.24 172.21 3h6i h LEU 177 N -2.53 -0.20 -0.73 2.42 5.85 -1.99 -1.53 115.31 116.60 3h6i h LEU 177 Ca -0.45 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.21 3h6i h LEU 177 Cb 1.29 0.05 -0.06 0.00 0.37 0.00 0.00 40.66 42.32 3h6i h LEU 177 CO 0.35 -0.01 0.43 0.74 -0.34 0.00 0.00 178.44 179.61 3h6i h THR 178 N -0.39 1.01 -0.27 1.05 2.02 -1.93 -0.50 112.91 113.90 3h6i h THR 178 Ca -0.02 -0.27 -0.08 0.00 0.77 0.00 0.00 66.41 66.80 3h6i h THR 178 Cb 0.30 0.14 -0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3h6i h THR 178 CO 0.04 0.15 -0.14 0.44 0.37 0.00 0.00 175.52 176.37 3h6i h ASP 179 N 0.80 0.60 -0.74 4.18 3.32 -1.91 -2.82 116.42 119.84 3h6i h ASP 179 Ca 0.32 -0.41 -0.06 0.00 0.02 0.00 0.00 57.03 56.90 3h6i h ASP 179 Cb 0.16 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.51 3h6i h ASP 179 CO -0.17 0.88 0.25 0.00 -1.72 0.00 0.00 179.24 178.48 3h6i h ALA 180 N 0.74 1.02 0.07 3.45 0.00 -0.86 -1.99 119.26 121.70 3h6i h ALA 180 Ca 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 3h6i h ALA 180 Cb 0.66 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.16 3h6i h ALA 180 CO 0.04 0.66 -0.04 1.25 0.00 0.00 0.00 179.25 181.17 3h6i h LEU 181 N 1.11 -0.08 -0.79 0.00 5.85 -1.07 -1.70 115.31 118.62 3h6i h LEU 181 Ca 0.24 -0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.94 3h6i h LEU 181 Cb 0.29 0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3h6i h LEU 181 CO -0.01 -0.05 0.42 0.03 -0.34 0.00 0.00 178.44 178.48 3h6i h ARG 182 N -0.10 1.11 -0.33 1.25 3.08 -1.32 0.31 114.38 118.37 3h6i h ARG 182 Ca -0.01 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 59.86 3h6i h ARG 182 Cb 0.08 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.90 3h6i h ARG 182 CO 0.02 0.83 0.04 0.82 -1.07 0.00 0.00 179.97 180.61 3h6i h ILE 183 N 1.10 1.18 0.04 2.04 2.04 -1.27 0.58 117.51 123.22 3h6i h ILE 183 Ca 0.28 -0.66 -0.09 0.00 1.00 0.00 0.00 64.86 65.38 3h6i h ILE 183 Cb 0.06 0.89 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 3h6i h ILE 183 CO -0.04 0.23 -0.38 0.00 0.00 0.00 0.00 178.15 177.96 3h6i h ALA 184 N 1.57 -0.01 -0.32 1.87 0.00 -0.40 -1.60 119.26 120.36 3h6i h ALA 184 Ca 0.11 -0.55 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3h6i h ALA 184 Cb 0.26 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3h6i h ALA 184 CO 0.00 0.17 0.05 0.28 0.00 0.00 0.00 179.25 179.75 3h6i h VAL 185 N -0.55 1.24 -0.82 0.00 2.07 -0.21 0.88 116.25 118.85 3h6i h VAL 185 Ca -0.06 -0.83 -0.01 0.00 0.82 0.00 0.00 66.70 66.62 3h6i h VAL 185 Cb 1.22 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 32.10 3h6i h VAL 185 CO 0.07 0.27 0.46 0.00 0.02 0.00 0.00 177.57 178.40 3h6i h ALA 186 N 0.89 1.05 -0.76 1.67 0.00 0.07 -1.73 119.26 120.45 3h6i h ALA 186 Ca 0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h6i h ALA 186 Cb 0.36 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3h6i h ALA 186 CO 0.01 0.55 0.26 0.00 0.00 0.00 0.00 179.25 180.07 3h6i h ALA 187 N 1.25 1.04 -0.53 0.00 0.00 -0.90 -1.64 119.26 118.47 3h6i h ALA 187 Ca 0.29 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 3h6i h ALA 187 Cb 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 3h6i h ALA 187 CO -0.05 0.66 0.25 -0.07 0.00 0.00 0.00 179.25 180.04 3h6i h LEU 188 N 1.11 0.69 -0.88 0.00 3.38 0.03 -2.02 115.31 117.63 3h6i h LEU 188 Ca 0.25 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 3h6i h LEU 188 Cb 0.27 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 3h6i h LEU 188 CO -0.01 0.63 0.14 0.03 0.09 0.00 0.00 178.44 179.32 3h6i h ARG 189 N 0.71 0.97 -0.70 1.13 3.08 -1.20 -1.38 114.38 116.99 3h6i h ARG 189 Ca 0.18 -0.22 0.03 0.00 0.07 0.00 0.00 59.98 60.04 3h6i h ARG 189 Cb 0.12 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.00 3h6i h ARG 189 CO -0.02 0.87 0.46 0.00 -1.07 0.00 0.00 179.97 180.21 3h6i h ALA 190 N 1.22 1.59 -0.06 0.04 0.00 -0.90 -3.52 119.26 117.63 3h6i h ALA 190 Ca 0.20 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 3h6i h ALA 190 Cb 0.35 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3h6i h ALA 190 CO 0.00 0.34 -0.22 0.78 0.00 0.00 0.00 179.25 180.16 3h6i h GLY 191 N 0.85 0.27 -0.12 0.00 0.00 -0.52 -3.45 103.07 100.11 3h6i h GLY 191 Ca 0.27 -0.37 0.00 0.00 0.00 0.00 0.00 47.33 47.24 3h6i h GLY 191 CO -0.08 0.33 0.00 0.61 0.00 0.00 0.00 176.54 177.40 3h6i n GLY 204 N 0.66 0.67 0.32 4.60 0.00 -1.26 -4.84 105.19 105.33 3h6i n GLY 204 Ca -0.08 -1.03 0.14 0.00 0.00 0.00 0.00 46.02 45.05 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 0.00 1.61 2.07 -1.97 0.46 116.25 119.25 3h6i h VAL 205 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3h6i h VAL 205 Cb 0.00 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.63 3h6i h VAL 205 CO 0.00 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.59 3h6i n ALA 206 N -2.58 2.15 -0.95 1.67 0.00 -1.26 -3.49 120.51 116.04 3h6i n ALA 206 Ca 0.03 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.47 3h6i n ALA 206 Cb 0.35 -1.43 0.07 0.00 0.00 0.00 0.00 19.45 18.44 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 -1.83 1.65 -4.17 0.00 3.41 0.06 -4.64 113.62 108.10 3h6i n SER 207 Ca 0.06 -2.44 -0.26 0.00 -0.26 0.00 0.00 58.87 55.97 3h6i n SER 207 Cb 0.33 -0.24 -0.16 0.00 -0.26 0.00 0.00 64.21 63.88 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 -1.65 2.00 -0.24 1.04 1.43 -0.68 -1.57 118.68 119.02 3h6i s LEU 208 Ca 0.15 -0.35 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 3h6i s LEU 208 Cb 0.14 -0.98 0.02 0.00 0.03 0.00 0.00 46.19 45.39 3h6i s LEU 208 CO 0.01 0.21 -0.07 -0.70 0.23 0.00 0.00 176.35 176.03 3h6i s GLU 209 N -0.28 2.90 -0.02 1.70 2.12 -0.58 -4.85 118.70 119.70 3h6i s GLU 209 Ca 0.03 -0.93 0.04 0.00 0.36 0.00 0.00 54.97 54.48 3h6i s GLU 209 Cb -0.09 -2.95 -0.01 0.00 0.26 0.00 0.00 34.13 31.34 3h6i s GLU 209 CO 0.00 -0.36 -0.14 0.08 -0.54 0.00 0.00 175.26 174.30 3h6i s VAL 210 N 1.34 1.13 0.03 3.70 1.01 -1.26 -1.06 120.40 125.29 3h6i s VAL 210 Ca 0.01 -0.60 -0.28 0.00 0.00 0.00 0.00 61.98 61.12 3h6i s VAL 210 Cb -0.16 -0.96 0.07 0.00 0.00 0.00 0.00 36.38 35.33 3h6i s VAL 210 CO -0.05 0.33 0.64 0.00 0.00 0.00 0.00 175.10 176.02 3h6i s ALA 211 N -0.21 -1.68 0.16 5.51 0.00 -0.74 -1.67 121.76 123.12 3h6i s ALA 211 Ca 0.03 1.00 0.09 0.00 0.00 0.00 0.00 51.96 53.08 3h6i s ALA 211 Cb -0.07 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.33 3h6i s ALA 211 CO -0.00 -0.51 -0.21 0.14 0.00 0.00 0.00 175.76 175.18 3h6i s VAL 212 N -2.12 1.96 -0.71 0.00 -7.23 -0.38 0.23 120.40 112.15 3h6i s VAL 212 Ca -0.07 -1.87 -0.10 0.00 -1.81 0.00 0.00 61.98 58.14 3h6i s VAL 212 Cb -0.00 -1.87 0.19 0.00 0.56 0.00 0.00 36.38 35.25 3h6i s VAL 212 CO 0.02 -0.19 0.60 -0.76 -0.31 0.00 0.00 175.10 174.45 3h6i s LEU 213 N -2.49 6.11 -0.62 1.32 1.43 -0.20 -1.26 118.68 122.98 3h6i s LEU 213 Ca 0.15 -2.63 -0.27 0.00 -1.03 0.00 0.00 54.13 50.35 3h6i s LEU 213 Cb -0.07 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.11 3h6i s LEU 213 CO 0.07 -0.53 1.15 -0.62 0.23 0.00 0.00 176.35 176.65 3h6i s ASP 214 N 1.78 6.34 0.03 2.29 2.15 0.03 -1.79 116.67 127.50 3h6i s ASP 214 Ca 0.16 -0.18 0.06 0.00 0.43 0.00 0.00 52.55 53.02 3h6i s ASP 214 Cb -0.16 -2.52 0.29 0.00 -0.30 0.00 0.00 42.92 40.23 3h6i s ASP 214 CO -0.06 -1.51 1.20 0.00 -0.17 0.00 0.00 175.17 174.64 3h6i n ALA 215 N 8.41 1.21 1.34 3.66 0.00 -0.20 -1.43 120.51 133.49 3h6i n ALA 215 Ca 0.05 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.63 3h6i n ALA 215 Cb 0.48 -1.10 0.40 0.00 0.00 0.00 0.00 19.45 19.23 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 -1.58 1.57 -4.75 0.00 5.15 -1.26 -4.47 115.26 109.91 3h6i n ASN 216 Ca 0.01 -1.38 -0.40 0.00 -0.60 0.00 0.00 54.58 52.21 3h6i n ASN 216 Cb 0.06 0.07 -0.05 0.00 -0.53 0.00 0.00 39.78 39.32 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 -2.18 4.71 0.19 1.20 1.81 -0.51 -4.98 118.95 119.19 3h6i s ARG 217 Ca 0.32 1.36 -0.12 0.00 -1.72 0.00 0.00 55.73 55.57 3h6i s ARG 217 Cb 0.20 -3.31 0.15 0.00 -0.45 0.00 0.00 34.95 31.54 3h6i s ARG 217 CO 0.40 0.43 1.82 -1.35 -0.68 0.00 0.00 175.30 175.92 3h6i h PRO 218 N 4.73 0.68 0.00 3.54 0.11 -1.90 -3.41 132.00 135.75 3h6i h PRO 218 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3h6i h PRO 218 Cb 1.20 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3h6i h PRO 218 CO 0.69 0.45 -0.14 -2.13 -0.21 0.00 0.00 178.00 176.66 3h6i n ARG 219 N -4.75 0.00 -3.10 1.05 0.63 -1.26 -4.47 116.66 104.76 3h6i n ARG 219 Ca 0.06 0.00 -0.44 0.00 -0.92 0.00 0.00 57.85 56.55 3h6i n ARG 219 Cb 0.10 -0.25 -0.05 0.00 0.45 0.00 0.00 32.46 32.71 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 3.09 0.30 -0.14 0.52 -1.26 -4.36 118.95 115.10 3h6i s ARG 220 Ca 0.00 -1.08 0.06 0.00 -0.52 0.00 0.00 55.73 54.19 3h6i s ARG 220 Cb 0.00 -4.19 0.48 0.00 0.52 0.00 0.00 34.95 31.76 3h6i s ARG 220 CO 0.00 -1.44 1.72 0.00 0.02 0.00 0.00 175.30 175.61 3h6i h ALA 221 N 9.15 1.14 -2.42 2.13 0.00 -1.53 -3.45 119.26 124.27 3h6i h ALA 221 Ca -0.29 -0.38 -0.54 0.00 0.00 0.00 0.00 54.91 53.71 3h6i h ALA 221 Cb 1.09 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.80 3h6i h ALA 221 CO 1.05 0.56 0.92 0.12 0.00 0.00 0.00 179.25 181.90 3h6i s PHE 222 N -4.26 2.64 -0.03 0.00 5.36 -1.26 -0.79 117.98 119.64 3h6i s PHE 222 Ca -0.05 0.56 -0.01 0.00 -0.96 0.00 0.00 56.93 56.47 3h6i s PHE 222 Cb 0.14 -3.83 0.03 0.00 -0.34 0.00 0.00 43.02 39.02 3h6i s PHE 222 CO 0.77 -3.22 0.07 0.50 -1.46 0.00 0.00 175.22 171.88 3h6i s ARG 223 N 2.45 0.00 -0.03 10.12 3.52 -0.39 -4.97 118.95 129.66 3h6i s ARG 223 Ca 0.69 0.24 -0.17 0.00 -0.13 0.00 0.00 55.73 56.37 3h6i s ARG 223 Cb -0.36 -0.22 -0.05 0.00 -1.56 0.00 0.00 34.95 32.75 3h6i s ARG 223 CO 0.30 -0.16 0.46 1.03 -0.81 0.00 0.00 175.30 176.11 3h6i s ARG 224 N 1.07 4.11 -0.41 5.12 0.52 -1.26 -1.24 118.95 126.85 3h6i s ARG 224 Ca -0.09 0.48 -0.06 0.00 -0.52 0.00 0.00 55.73 55.54 3h6i s ARG 224 Cb -0.12 -3.29 0.10 0.00 0.52 0.00 0.00 34.95 32.15 3h6i s ARG 224 CO -0.04 0.51 0.23 0.42 0.02 0.00 0.00 175.30 176.44 3h6i s ILE 225 N -0.53 3.69 0.42 1.52 1.01 -0.67 -4.98 121.20 121.66 3h6i s ILE 225 Ca 0.25 -1.77 0.04 0.00 0.00 0.00 0.00 60.65 59.17 3h6i s ILE 225 Cb -0.17 -3.40 -0.04 0.00 0.01 0.00 0.00 42.46 38.87 3h6i s ILE 225 CO 0.13 -0.61 0.05 0.42 0.00 0.00 0.00 174.94 174.93 3h6i s THR 226 N 1.27 1.21 0.00 2.92 -4.23 -1.26 -4.26 115.64 111.28 3h6i s THR 226 Ca 0.05 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.56 3h6i s THR 226 Cb -0.23 -2.54 0.00 0.00 1.34 0.00 0.00 72.50 71.07 3h6i s THR 226 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3h6i n GLY 227 N -0.98 2.77 0.30 3.99 0.00 -1.26 -2.29 105.19 107.72 3h6i n GLY 227 Ca -0.09 -0.05 0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 0.30 0.37 0.75 1.61 4.64 -1.99 -1.61 113.55 117.62 3h6i h SER 228 Ca 0.00 -0.01 -0.15 0.00 -0.47 0.00 0.00 61.79 61.15 3h6i h SER 228 Cb 0.00 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 61.98 3h6i h SER 228 CO 0.00 0.29 -0.72 0.00 -0.87 0.00 0.00 176.83 175.52 3h6i h ALA 229 N 1.78 0.79 -0.31 5.18 0.00 -1.95 -1.86 119.26 122.90 3h6i h ALA 229 Ca 0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 54.91 54.27 3h6i h ALA 229 Cb -0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3h6i h ALA 229 CO -0.02 0.90 -0.20 1.25 0.00 0.00 0.00 179.25 181.18 3h6i h LEU 230 N 0.00 0.71 -0.95 0.00 5.85 -0.92 -2.65 115.31 117.34 3h6i h LEU 230 Ca -0.01 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.25 3h6i h LEU 230 Cb 1.29 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 42.09 3h6i h LEU 230 CO 0.09 0.99 0.35 1.56 -0.34 0.00 0.00 178.44 181.09 3h6i h GLN 231 N 0.44 1.10 -0.57 1.25 1.08 -1.22 0.93 115.11 118.12 3h6i h GLN 231 Ca 0.06 -0.17 0.02 0.00 -1.45 0.00 0.00 58.65 57.12 3h6i h GLN 231 Cb 0.75 -0.20 -0.03 0.00 -0.05 0.00 0.00 27.48 27.95 3h6i h GLN 231 CO 0.06 0.86 0.35 0.00 -0.95 0.00 0.00 178.83 179.15 3h6i h ALA 232 N 1.29 0.73 -0.46 3.87 0.00 -1.27 0.40 119.26 123.81 3h6i h ALA 232 Ca 0.26 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 3h6i h ALA 232 Cb 0.14 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3h6i h ALA 232 CO -0.03 0.09 -0.03 -0.07 0.00 0.00 0.00 179.25 179.21 3h6i h LEU 233 N 0.70 0.76 0.00 0.00 -0.00 -1.04 -3.51 115.31 112.21 3h6i h LEU 233 Ca 0.22 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 3h6i h LEU 233 Cb -0.01 -0.20 0.00 0.00 -0.00 0.00 0.00 40.66 40.45 3h6i h LEU 233 CO -0.08 0.85 0.00 -0.11 -0.00 0.00 0.00 178.44 179.09