#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 0.38 0.15 1.43 0.11 -2.06 0.84 132.00 132.86 3h6i h PRO 9 Ca 0.00 -0.02 -0.32 0.00 0.11 0.00 0.00 66.00 65.77 3h6i h PRO 9 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.03 3h6i h PRO 9 CO 0.00 0.25 -1.55 0.93 -0.21 0.00 0.00 178.00 177.42 3h6i h GLU 10 N 0.39 0.32 0.01 1.05 4.39 -2.06 -3.25 114.58 115.44 3h6i h GLU 10 Ca 0.60 -0.55 -0.21 0.00 0.34 0.00 0.00 59.36 59.55 3h6i h GLU 10 Cb 1.19 0.20 -0.01 0.00 -0.10 0.00 0.00 28.75 30.03 3h6i h GLU 10 CO -0.55 1.21 -0.92 0.37 -1.16 0.00 0.00 179.01 177.96 3h6i h GLN 11 N 0.09 0.21 -0.33 2.33 4.15 -1.61 -3.03 115.11 116.92 3h6i h GLN 11 Ca -0.26 -0.25 -0.01 0.00 0.77 0.00 0.00 58.65 58.90 3h6i h GLN 11 Cb 2.05 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 29.80 3h6i h GLN 11 CO 0.18 0.99 0.15 0.00 -1.93 0.00 0.00 178.83 178.23 3h6i h ALA 12 N 0.92 0.43 -0.06 3.38 0.00 0.50 -0.40 119.26 124.03 3h6i h ALA 12 Ca -0.05 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.69 3h6i h ALA 12 Cb 1.57 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.21 3h6i h ALA 12 CO 0.14 0.00 -0.23 1.98 0.00 0.00 0.00 179.25 181.15 3h6i h MET 13 N 0.40 0.10 0.12 0.00 4.05 -1.62 -1.56 114.93 116.42 3h6i h MET 13 Ca 0.11 -0.03 -0.30 0.00 -0.28 0.00 0.00 59.70 59.21 3h6i h MET 13 Cb 0.14 -0.01 0.03 0.00 -0.80 0.00 0.00 31.60 30.95 3h6i h MET 13 CO -0.01 0.32 -1.24 -0.09 0.23 0.00 0.00 176.91 176.12 3h6i h ARG 14 N 0.09 0.62 -0.44 0.39 2.43 -1.32 -2.40 114.38 113.75 3h6i h ARG 14 Ca 0.02 -0.83 -0.11 0.00 -0.81 0.00 0.00 59.98 58.24 3h6i h ARG 14 Cb 0.46 0.28 -0.02 0.00 -0.42 0.00 0.00 29.97 30.27 3h6i h ARG 14 CO 0.03 1.38 -0.19 0.93 -1.51 0.00 0.00 179.97 180.62 3h6i h GLU 15 N 0.26 0.85 -0.43 0.20 5.08 -0.89 -1.69 114.58 117.96 3h6i h GLU 15 Ca -0.19 -0.33 -0.10 0.00 -1.00 0.00 0.00 59.36 57.74 3h6i h GLU 15 Cb 1.91 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.11 3h6i h GLU 15 CO 0.24 0.96 -0.13 0.00 -1.00 0.00 0.00 179.01 179.08 3h6i h ARG 16 N 0.74 0.84 -0.99 2.33 3.08 -1.37 -1.30 114.38 117.72 3h6i h ARG 16 Ca 0.11 -0.34 0.03 0.00 0.07 0.00 0.00 59.98 59.85 3h6i h ARG 16 Cb 0.71 -0.04 -0.06 0.00 0.08 0.00 0.00 29.97 30.66 3h6i h ARG 16 CO 0.05 0.97 0.65 0.77 -1.07 0.00 0.00 179.97 181.35 3h6i h SER 17 N 0.67 1.09 -0.29 7.04 0.02 -1.24 -2.27 113.55 118.57 3h6i h SER 17 Ca 0.10 -0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.87 3h6i h SER 17 Cb 0.68 -0.26 -0.00 0.00 0.14 0.00 0.00 62.40 62.96 3h6i h SER 17 CO 0.05 0.76 -0.50 -0.33 -1.14 0.00 0.00 176.83 175.67 3h6i h GLU 18 N 1.27 0.85 -0.84 3.45 4.39 -1.05 -1.30 114.58 121.36 3h6i h GLU 18 Ca 0.39 -0.53 0.03 0.00 0.34 0.00 0.00 59.36 59.59 3h6i h GLU 18 Cb -0.03 0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 3h6i h GLU 18 CO -0.12 1.16 0.54 1.25 -1.16 0.00 0.00 179.01 180.69 3h6i h LEU 19 N 0.63 0.90 -0.03 1.33 6.46 -0.94 -0.96 115.31 122.70 3h6i h LEU 19 Ca 0.02 -0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 3h6i h LEU 19 Cb 1.10 -0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.83 3h6i h LEU 19 CO 0.11 0.63 -0.06 0.00 -0.62 0.00 0.00 178.44 178.50 3h6i h ALA 20 N 1.34 0.05 -0.42 1.25 0.00 -1.34 -2.88 119.26 117.26 3h6i h ALA 20 Ca 0.33 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3h6i h ALA 20 Cb -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3h6i h ALA 20 CO -0.11 -0.12 0.20 -0.09 0.00 0.00 0.00 179.25 179.14 3h6i h ARG 21 N -0.44 0.58 -0.37 0.00 2.43 -1.00 -2.07 114.38 113.51 3h6i h ARG 21 Ca 0.00 -0.06 -0.16 0.00 -0.81 0.00 0.00 59.98 58.95 3h6i h ARG 21 Cb 0.64 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.07 3h6i h ARG 21 CO 0.01 0.45 -0.41 0.87 -1.51 0.00 0.00 179.97 179.39 3h6i h LYS 22 N 0.58 0.92 -0.21 0.20 1.57 -1.23 -0.37 116.57 118.03 3h6i h LYS 22 Ca 0.15 -0.50 -0.11 0.00 -1.87 0.00 0.00 60.65 58.33 3h6i h LYS 22 Cb 0.06 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 3h6i h LYS 22 CO -0.02 1.15 -0.32 0.78 -0.57 0.00 0.00 179.45 180.47 3h6i h GLY 23 N 0.78 0.46 1.15 3.86 0.00 -1.22 -1.82 103.07 106.28 3h6i h GLY 23 Ca 0.06 -0.41 -0.22 0.00 0.00 0.00 0.00 47.33 46.76 3h6i h GLY 23 CO 0.10 0.37 -0.78 -2.22 0.00 0.00 0.00 176.54 174.01 3h6i h ILE 24 N 0.37 1.28 0.00 2.60 2.04 -1.25 -3.07 117.51 119.48 3h6i h ILE 24 Ca 0.05 -1.98 -0.05 0.00 1.00 0.00 0.00 64.86 63.87 3h6i h ILE 24 Cb 0.75 2.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.85 3h6i h ILE 24 CO 0.06 0.63 -0.25 0.00 0.00 0.00 0.00 178.15 178.58 3h6i h ALA 25 N 0.53 1.57 0.00 1.87 0.00 -0.91 -0.93 119.26 121.39 3h6i h ALA 25 Ca -0.06 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 3h6i h ALA 25 Cb 1.41 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.16 3h6i h ALA 25 CO 0.16 0.32 -0.21 -0.09 0.00 0.00 0.00 179.25 179.42 3h6i h ARG 26 N 0.00 0.00 -7.03 0.00 2.43 -1.30 -3.33 114.38 105.15 3h6i h ARG 26 Ca -0.00 0.00 -0.48 0.00 -0.81 0.00 0.00 59.98 58.69 3h6i h ARG 26 Cb 0.45 0.00 0.05 0.00 -0.42 0.00 0.00 29.97 30.05 3h6i h ARG 26 CO 0.03 0.21 0.13 0.00 -1.51 0.00 0.00 179.97 178.83 3h6i s ALA 27 N -3.29 3.38 0.90 2.80 0.00 -1.03 -4.93 121.76 119.59 3h6i s ALA 27 Ca 0.04 -0.71 -0.11 0.00 0.00 0.00 0.00 51.96 51.18 3h6i s ALA 27 Cb 0.08 -2.53 0.13 0.00 0.00 0.00 0.00 23.12 20.79 3h6i s ALA 27 CO 0.67 -0.66 1.12 0.15 0.00 0.00 0.00 175.76 177.03 3h6i s LYS 28 N -4.89 1.20 0.12 0.00 -0.14 -1.26 -1.93 119.74 112.84 3h6i s LYS 28 Ca 0.52 1.32 -0.02 0.00 -1.36 0.00 0.00 55.97 56.42 3h6i s LYS 28 Cb -0.10 -1.77 -0.05 0.00 -1.68 0.00 0.00 37.83 34.23 3h6i s LYS 28 CO 0.44 -2.43 0.31 -1.12 -0.76 0.00 0.00 175.35 171.80 3h6i s SER 29 N -2.92 6.43 0.03 2.83 0.01 -1.26 -4.09 113.70 114.72 3h6i s SER 29 Ca 0.65 0.44 0.04 0.00 1.31 0.00 0.00 55.95 58.39 3h6i s SER 29 Cb -0.21 -2.03 -0.02 0.00 0.21 0.00 0.00 66.02 63.97 3h6i s SER 29 CO 0.58 0.09 -0.12 -0.69 0.41 0.00 0.00 173.24 173.51 3h6i s VAL 30 N -1.62 0.90 -0.02 3.43 1.01 0.13 -2.14 120.40 122.08 3h6i s VAL 30 Ca 0.38 -0.83 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3h6i s VAL 30 Cb -0.12 -0.82 -0.00 0.00 0.00 0.00 0.00 36.38 35.43 3h6i s VAL 30 CO 0.26 -0.00 -0.10 -0.69 0.00 0.00 0.00 175.10 174.57 3h6i s VAL 31 N -0.75 0.85 -0.07 2.92 1.01 0.04 -0.36 120.40 124.05 3h6i s VAL 31 Ca 0.00 -0.43 0.01 0.00 0.00 0.00 0.00 61.98 61.57 3h6i s VAL 31 Cb -0.07 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.60 3h6i s VAL 31 CO 0.01 0.25 -0.09 0.00 0.00 0.00 0.00 175.10 175.27 3h6i s ALA 32 N -0.03 1.10 -0.00 5.51 0.00 -0.23 -0.89 121.76 127.22 3h6i s ALA 32 Ca 0.00 -0.34 -0.06 0.00 0.00 0.00 0.00 51.96 51.57 3h6i s ALA 32 Cb -0.07 -0.60 -0.00 0.00 0.00 0.00 0.00 23.12 22.45 3h6i s ALA 32 CO 0.00 -0.04 0.11 -0.48 0.00 0.00 0.00 175.76 175.36 3h6i s LEU 33 N 0.97 1.64 0.12 0.00 0.05 -0.21 -0.42 118.68 120.83 3h6i s LEU 33 Ca -0.09 -0.19 -0.30 0.00 0.05 0.00 0.00 54.13 53.60 3h6i s LEU 33 Cb -0.15 0.57 -0.06 0.00 -2.05 0.00 0.00 46.19 44.50 3h6i s LEU 33 CO 0.00 -0.32 0.97 0.00 -0.55 0.00 0.00 176.35 176.45 3h6i s ALA 34 N -1.22 3.26 0.00 1.48 0.00 -0.80 -0.66 121.76 123.82 3h6i s ALA 34 Ca -0.13 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.43 3h6i s ALA 34 Cb -0.07 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.77 3h6i s ALA 34 CO 0.01 -0.03 0.00 2.48 0.00 0.00 0.00 175.76 178.22 3h6i n TYR 35 N 2.72 0.00 -0.02 0.00 0.18 -0.47 -4.68 117.16 114.89 3h6i n TYR 35 Ca 0.02 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.68 3h6i n TYR 35 Cb 0.49 0.00 -0.07 0.00 -0.38 0.00 0.00 39.34 39.38 3h6i n TYR 35 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 3h6i h ALA 36 N 1.00 0.11 -0.24 -3.48 0.00 -1.31 -3.20 119.26 112.14 3h6i h ALA 36 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 3h6i h ALA 36 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3h6i h ALA 36 CO 0.00 -0.26 0.00 0.41 0.00 0.00 0.00 179.25 179.40 3h6i n GLY 37 N -0.48 0.32 0.00 0.00 0.00 -1.26 -5.01 105.19 98.75 3h6i n GLY 37 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.61 3h6i n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3h6i n GLY 38 N 1.03 0.48 3.26 -0.02 0.00 -1.21 -0.91 105.19 107.81 3h6i n GLY 38 Ca 0.13 -0.77 -0.25 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 1.66 -0.04 1.61 1.01 -0.79 -1.37 120.40 122.48 3h6i s VAL 39 Ca 0.00 -1.31 0.05 0.00 0.00 0.00 0.00 61.98 60.72 3h6i s VAL 39 Cb 0.00 -1.47 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3h6i s VAL 39 CO 0.00 0.10 -0.20 -0.22 0.00 0.00 0.00 175.10 174.78 3h6i s LEU 40 N -1.44 1.98 -0.08 3.92 2.96 0.16 -1.09 118.68 125.10 3h6i s LEU 40 Ca 0.07 -0.41 0.05 0.00 -0.22 0.00 0.00 54.13 53.62 3h6i s LEU 40 Cb -0.09 -1.11 -0.00 0.00 0.50 0.00 0.00 46.19 45.48 3h6i s LEU 40 CO 0.03 0.20 -0.23 -0.36 -1.32 0.00 0.00 176.35 174.66 3h6i s PHE 41 N -0.09 2.37 -0.03 5.38 0.08 0.13 -1.05 117.98 124.77 3h6i s PHE 41 Ca -0.02 -0.85 0.00 0.00 0.12 0.00 0.00 56.93 56.18 3h6i s PHE 41 Cb -0.12 -1.58 0.03 0.00 -0.57 0.00 0.00 43.02 40.78 3h6i s PHE 41 CO 0.02 -0.31 0.00 0.08 -0.10 0.00 0.00 175.22 174.91 3h6i s VAL 42 N 0.15 0.17 0.02 -0.44 1.01 -0.07 -1.54 120.40 119.71 3h6i s VAL 42 Ca -0.12 0.11 0.01 0.00 0.00 0.00 0.00 61.98 61.98 3h6i s VAL 42 Cb -0.16 -0.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.93 3h6i s VAL 42 CO 0.06 0.15 -0.05 0.00 0.00 0.00 0.00 175.10 175.27 3h6i s ALA 43 N 1.13 0.34 -0.48 5.51 0.00 -0.42 -0.78 121.76 127.06 3h6i s ALA 43 Ca -0.08 -0.46 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 3h6i s ALA 43 Cb -0.13 0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3h6i s ALA 43 CO -0.02 -0.02 1.28 -1.21 0.00 0.00 0.00 175.76 175.80 3h6i s GLU 44 N -0.92 3.58 -0.27 0.00 2.02 -0.91 -2.21 118.70 120.00 3h6i s GLU 44 Ca -0.07 0.65 -0.01 0.00 0.02 0.00 0.00 54.97 55.56 3h6i s GLU 44 Cb -0.06 -3.99 0.13 0.00 0.10 0.00 0.00 34.13 30.30 3h6i s GLU 44 CO -0.00 -1.57 0.28 1.21 0.02 0.00 0.00 175.26 175.20 3h6i s ASN 45 N 3.34 1.68 0.42 -0.19 2.47 0.26 -4.67 114.94 118.26 3h6i s ASN 45 Ca 0.53 -0.65 0.21 0.00 0.42 0.00 0.00 52.86 53.36 3h6i s ASN 45 Cb -0.10 0.46 0.94 0.00 -1.45 0.00 0.00 41.25 41.10 3h6i s ASN 45 CO 0.31 -0.38 1.86 1.55 -3.72 0.00 0.00 177.10 176.72 3h6i h PRO 46 N 8.28 0.00 -6.95 0.43 0.13 -1.74 -3.24 132.00 128.91 3h6i h PRO 46 Ca -0.15 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.47 3h6i h PRO 46 Cb 1.09 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.27 3h6i h PRO 46 CO 0.33 0.28 0.51 0.45 -0.23 0.00 0.00 178.00 179.35 3h6i s SER 47 N -6.43 6.45 0.04 1.44 0.15 -1.26 -4.73 113.70 109.35 3h6i s SER 47 Ca -0.01 2.37 0.22 0.00 0.70 0.00 0.00 55.95 59.23 3h6i s SER 47 Cb 0.12 -2.61 -0.06 0.00 -1.71 0.00 0.00 66.02 61.76 3h6i s SER 47 CO 0.66 -0.73 0.91 -2.11 1.20 0.00 0.00 173.24 173.17 3h6i n ARG 48 N 0.00 0.34 0.00 5.44 1.85 -1.26 -4.61 116.66 118.42 3h6i n ARG 48 Ca 0.05 -0.03 0.00 0.00 -1.00 0.00 0.00 57.85 56.86 3h6i n ARG 48 Cb 0.46 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.29 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 -2.00 4.56 -4.44 2.89 3.41 -1.26 -4.94 113.62 111.85 3h6i n SER 49 Ca 0.01 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.18 3h6i n SER 49 Cb 0.45 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 64.90 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 -3.59 4.92 0.23 1.04 1.43 -1.26 -5.03 118.68 116.42 3h6i s LEU 50 Ca 0.00 -1.66 -0.29 0.00 -1.03 0.00 0.00 54.13 51.15 3h6i s LEU 50 Cb 0.00 -2.39 -0.09 0.00 0.03 0.00 0.00 46.19 43.74 3h6i s LEU 50 CO 0.00 -1.18 0.92 -1.10 0.23 0.00 0.00 176.35 175.22 3h6i s GLN 51 N 3.06 4.82 -0.01 1.70 -0.21 -1.26 -4.84 119.66 122.93 3h6i s GLN 51 Ca 0.27 1.45 0.12 0.00 0.02 0.00 0.00 55.36 57.22 3h6i s GLN 51 Cb -0.11 -3.28 -0.16 0.00 1.00 0.00 0.00 33.01 30.46 3h6i s GLN 51 CO -0.02 0.52 0.44 1.63 -2.12 0.00 0.00 175.29 175.74 3h6i n LYS 52 N 1.55 2.06 -5.23 2.91 5.02 -1.26 -4.96 118.16 118.24 3h6i n LYS 52 Ca -0.02 -0.04 -0.31 0.00 -2.02 0.00 0.00 58.31 55.92 3h6i n LYS 52 Cb 0.47 -1.16 -0.16 0.00 -0.02 0.00 0.00 35.03 34.17 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 -2.41 2.05 0.00 -0.18 1.01 -1.26 -1.18 121.20 119.23 3h6i s ILE 53 Ca 0.01 -1.15 -0.29 0.00 0.00 0.00 0.00 60.65 59.23 3h6i s ILE 53 Cb 0.09 -1.71 0.07 0.00 0.01 0.00 0.00 42.46 40.92 3h6i s ILE 53 CO 0.51 0.54 0.68 -0.55 0.00 0.00 0.00 174.94 176.12 3h6i s SER 54 N -0.71 -0.62 0.33 3.58 0.15 0.75 -4.99 113.70 112.19 3h6i s SER 54 Ca 0.10 0.49 -0.28 0.00 0.70 0.00 0.00 55.95 56.96 3h6i s SER 54 Cb -0.10 0.54 -0.10 0.00 -1.71 0.00 0.00 66.02 64.66 3h6i s SER 54 CO -0.00 -0.70 1.23 -0.70 1.20 0.00 0.00 173.24 174.27 3h6i s GLU 55 N -1.94 4.38 -0.10 5.44 2.12 -1.26 -0.03 118.70 127.31 3h6i s GLU 55 Ca -0.07 2.05 -0.07 0.00 0.36 0.00 0.00 54.97 57.24 3h6i s GLU 55 Cb -0.00 -3.04 -0.05 0.00 0.26 0.00 0.00 34.13 31.30 3h6i s GLU 55 CO 0.03 -0.10 -0.17 1.28 -0.54 0.00 0.00 175.26 175.76 3h6i n LEU 56 N 0.79 1.09 0.00 2.70 4.77 -0.65 -4.79 117.00 120.91 3h6i n LEU 56 Ca 0.00 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.13 3h6i n LEU 56 Cb 0.43 -0.43 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 3h6i n LEU 56 CO 0.57 0.04 0.04 0.00 -1.33 0.00 0.00 177.39 176.70 3h6i n TYR 57 N -3.69 -0.70 -0.14 -1.77 9.36 -1.05 -4.73 117.16 114.45 3h6i n TYR 57 Ca -0.20 -0.57 -0.06 0.00 3.32 0.00 0.00 57.90 60.39 3h6i n TYR 57 Cb 0.55 0.14 0.03 0.00 -0.63 0.00 0.00 39.34 39.43 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 0.48 0.35 -0.31 2.98 3.32 -1.93 -2.97 116.42 118.34 3h6i h ASP 58 Ca -0.07 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.00 3h6i h ASP 58 Cb 0.29 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3h6i h ASP 58 CO 0.09 0.25 0.00 0.54 -1.72 0.00 0.00 179.24 178.40 3h6i n ARG 59 N -4.89 2.61 -5.09 3.56 5.12 -1.26 -1.04 116.66 115.67 3h6i n ARG 59 Ca 0.03 -1.95 -0.32 0.00 -1.93 0.00 0.00 57.85 53.68 3h6i n ARG 59 Cb 0.10 -1.26 -0.15 0.00 -1.16 0.00 0.00 32.46 29.99 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 2.51 0.36 1.55 1.01 -1.12 -2.23 120.40 121.48 3h6i s VAL 60 Ca 0.22 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.35 3h6i s VAL 60 Cb 0.12 -1.95 -0.07 0.00 0.00 0.00 0.00 36.38 34.47 3h6i s VAL 60 CO 0.15 0.57 0.01 -0.83 0.00 0.00 0.00 175.10 175.01 3h6i s GLY 61 N -0.32 2.24 0.03 4.51 0.00 0.16 -1.64 107.32 112.30 3h6i s GLY 61 Ca 0.02 -2.15 0.02 0.00 0.00 0.00 0.00 44.72 42.60 3h6i s GLY 61 CO 0.02 -1.96 -0.06 -0.12 0.00 0.00 0.00 173.10 170.98 3h6i s PHE 62 N -2.96 0.53 -0.16 1.90 2.19 0.96 -1.95 117.98 118.49 3h6i s PHE 62 Ca 0.35 -0.38 -0.14 0.00 0.33 0.00 0.00 56.93 57.08 3h6i s PHE 62 Cb 0.08 -0.33 0.04 0.00 -1.31 0.00 0.00 43.02 41.51 3h6i s PHE 62 CO 0.16 -0.08 0.43 0.00 1.83 0.00 0.00 175.22 177.56 3h6i s ALA 63 N -1.03 -1.05 0.10 11.12 0.00 -0.43 -0.18 121.76 130.29 3h6i s ALA 63 Ca -0.08 1.23 -0.03 0.00 0.00 0.00 0.00 51.96 53.09 3h6i s ALA 63 Cb -0.08 -0.72 -0.03 0.00 0.00 0.00 0.00 23.12 22.29 3h6i s ALA 63 CO 0.00 -0.21 0.08 0.00 0.00 0.00 0.00 175.76 175.63 3h6i s ALA 64 N 0.34 0.46 0.01 0.00 0.00 -0.33 0.08 121.76 122.32 3h6i s ALA 64 Ca -0.01 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3h6i s ALA 64 Cb -0.03 0.60 -0.01 0.00 0.00 0.00 0.00 23.12 23.67 3h6i s ALA 64 CO -0.01 -0.47 -0.07 0.00 0.00 0.00 0.00 175.76 175.22 3h6i s ALA 65 N -3.96 0.53 0.00 0.00 0.00 -0.53 -4.85 121.76 112.94 3h6i s ALA 65 Ca 0.14 -0.44 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3h6i s ALA 65 Cb 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.12 3h6i s ALA 65 CO -0.05 0.07 0.00 0.41 0.00 0.00 0.00 175.76 176.20 3h6i n GLY 66 N 2.41 0.55 3.65 0.00 0.00 -1.26 -1.61 105.19 108.93 3h6i n GLY 66 Ca -0.16 -1.81 -0.43 0.00 0.00 0.00 0.00 46.02 43.62 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 -1.14 4.08 0.14 1.61 2.20 -0.30 -4.91 119.74 121.42 3h6i s LYS 67 Ca 0.00 1.57 -0.30 0.00 -0.36 0.00 0.00 55.97 56.88 3h6i s LYS 67 Cb 0.00 -3.85 -0.06 0.00 -1.51 0.00 0.00 37.83 32.41 3h6i s LYS 67 CO 0.00 -0.92 1.57 0.35 -0.36 0.00 0.00 175.35 175.99 3h6i h PHE 68 N 8.94 -1.36 -0.54 4.03 3.57 -1.96 -1.81 116.94 127.81 3h6i h PHE 68 Ca -0.28 0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.44 3h6i h PHE 68 Cb 1.11 0.63 -0.02 0.00 2.79 0.00 0.00 35.95 40.46 3h6i h PHE 68 CO 0.85 -0.48 0.47 -2.95 -2.23 0.00 0.00 178.31 173.96 3h6i h ASN 69 N -0.45 0.00 0.14 0.41 7.08 -1.99 0.35 115.58 121.12 3h6i h ASN 69 Ca 0.09 0.00 -0.27 0.00 -3.08 0.00 0.00 56.30 53.03 3h6i h ASN 69 Cb 0.62 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.87 3h6i h ASN 69 CO -0.48 0.00 -1.34 -0.33 -2.08 0.00 0.00 177.43 173.20 3h6i h GLU 70 N 0.00 0.30 0.00 4.14 5.08 -1.76 -3.03 114.58 119.31 3h6i h GLU 70 Ca 0.26 -0.52 -0.13 0.00 -1.00 0.00 0.00 59.36 57.96 3h6i h GLU 70 Cb 1.19 0.19 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 3h6i h GLU 70 CO -0.00 1.25 -0.64 0.27 -1.00 0.00 0.00 179.01 178.88 3h6i h PHE 71 N -0.22 0.00 -0.32 4.33 -5.15 -0.66 -2.85 116.94 112.06 3h6i h PHE 71 Ca -0.27 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.39 3h6i h PHE 71 Cb 1.82 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 37.97 3h6i h PHE 71 CO 0.14 0.64 -0.26 0.22 -2.00 0.00 0.00 178.31 177.05 3h6i h ASP 72 N 0.00 0.67 -0.18 -0.68 3.58 -1.09 0.15 116.42 118.86 3h6i h ASP 72 Ca -0.01 -0.25 -0.04 0.00 0.42 0.00 0.00 57.03 57.15 3h6i h ASP 72 Cb 1.43 -0.18 -0.02 0.00 1.72 0.00 0.00 39.33 42.29 3h6i h ASP 72 CO 0.08 0.90 -0.01 -1.13 -2.88 0.00 0.00 179.24 176.21 3h6i h ASN 73 N 0.57 0.41 1.00 2.28 -1.24 -1.40 -1.19 115.58 116.02 3h6i h ASN 73 Ca 0.08 -0.07 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 3h6i h ASN 73 Cb 0.75 -0.11 -0.03 0.00 0.73 0.00 0.00 38.32 39.66 3h6i h ASN 73 CO 0.06 0.49 -1.01 -0.07 -1.29 0.00 0.00 177.43 175.60 3h6i h LEU 74 N 0.43 0.00 -0.30 0.34 3.38 -1.23 -1.87 115.31 116.07 3h6i h LEU 74 Ca 0.09 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.02 3h6i h LEU 74 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3h6i h LEU 74 CO 0.01 0.97 0.01 -0.09 0.09 0.00 0.00 178.44 179.43 3h6i h ARG 75 N 0.00 0.52 -0.23 1.13 2.43 -0.14 -0.94 114.38 117.16 3h6i h ARG 75 Ca -0.02 -0.16 -0.02 0.00 -0.81 0.00 0.00 59.98 58.97 3h6i h ARG 75 Cb 1.76 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 31.25 3h6i h ARG 75 CO 0.12 0.66 0.07 0.00 -1.51 0.00 0.00 179.97 179.31 3h6i h ARG 76 N 0.33 0.35 -0.27 0.20 3.08 -1.26 -1.35 114.38 115.46 3h6i h ARG 76 Ca 0.09 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 60.04 3h6i h ARG 76 Cb 0.41 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 3h6i h ARG 76 CO 0.01 0.44 0.09 0.78 -1.07 0.00 0.00 179.97 180.22 3h6i h GLY 77 N 0.20 0.41 1.03 0.04 0.00 -1.26 -0.42 103.07 103.07 3h6i h GLY 77 Ca 0.07 -0.19 -0.18 0.00 0.00 0.00 0.00 47.33 47.04 3h6i h GLY 77 CO -0.00 0.18 -0.59 -1.33 0.00 0.00 0.00 176.54 174.80 3h6i h GLY 78 N 0.56 0.76 1.05 4.60 0.00 -0.88 -1.64 103.07 107.51 3h6i h GLY 78 Ca 0.10 -1.01 -0.04 0.00 0.00 0.00 0.00 47.33 46.37 3h6i h GLY 78 CO -0.01 0.90 0.33 -2.22 0.00 0.00 0.00 176.54 175.54 3h6i h ILE 79 N 0.38 1.26 -0.51 2.60 2.04 -0.54 -0.32 117.51 122.42 3h6i h ILE 79 Ca -0.03 -0.81 -0.01 0.00 1.00 0.00 0.00 64.86 65.01 3h6i h ILE 79 Cb 1.21 0.30 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 3h6i h ILE 79 CO 0.12 0.33 0.27 -0.61 0.00 0.00 0.00 178.15 178.27 3h6i h GLN 80 N 1.16 0.72 0.05 2.37 5.75 -1.03 -0.94 115.11 123.19 3h6i h GLN 80 Ca 0.27 -0.09 -0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3h6i h GLN 80 Cb 0.21 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 28.62 3h6i h GLN 80 CO -0.02 0.57 -0.02 0.35 -2.65 0.00 0.00 178.83 177.05 3h6i h PHE 81 N 0.68 -0.06 -0.53 3.99 3.57 -0.95 -1.64 116.94 122.00 3h6i h PHE 81 Ca 0.18 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3h6i h PHE 81 Cb 0.07 0.02 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3h6i h PHE 81 CO -0.01 0.21 0.32 0.00 -2.23 0.00 0.00 178.31 176.59 3h6i h ALA 82 N 0.61 0.67 -0.46 2.41 0.00 -0.92 -0.86 119.26 120.70 3h6i h ALA 82 Ca -0.01 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3h6i h ALA 82 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3h6i h ALA 82 CO 0.01 0.03 -0.07 -0.44 0.00 0.00 0.00 179.25 178.78 3h6i h ASP 83 N 0.63 0.79 -0.14 0.00 3.32 -1.10 -0.54 116.42 119.39 3h6i h ASP 83 Ca 0.21 -0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 3h6i h ASP 83 Cb 0.01 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.35 3h6i h ASP 83 CO -0.09 0.90 -0.07 0.74 -1.72 0.00 0.00 179.24 178.99 3h6i h THR 84 N 0.74 1.32 -0.00 0.35 2.02 -1.14 -2.33 112.91 113.86 3h6i h THR 84 Ca 0.13 -1.12 0.00 0.00 0.77 0.00 0.00 66.41 66.19 3h6i h THR 84 Cb 0.55 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.73 3h6i h THR 84 CO 0.03 0.33 -0.01 0.03 0.37 0.00 0.00 175.52 176.27 3h6i h ARG 85 N -0.06 -0.01 -0.18 6.66 2.47 -1.02 -0.79 114.38 121.45 3h6i h ARG 85 Ca 0.03 0.00 0.01 0.00 -1.26 0.00 0.00 59.98 58.76 3h6i h ARG 85 Cb 0.54 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.86 3h6i h ARG 85 CO 0.02 -0.01 0.12 0.78 0.56 0.00 0.00 179.97 181.45 3h6i h GLY 86 N -0.01 0.22 1.15 0.04 0.00 -1.11 0.11 103.07 103.47 3h6i h GLY 86 Ca 0.00 -0.08 -0.29 0.00 0.00 0.00 0.00 47.33 46.96 3h6i h GLY 86 CO -0.01 0.08 -1.25 -1.82 0.00 0.00 0.00 176.54 173.53 3h6i h TYR 87 N 0.20 0.94 -0.00 5.60 3.20 -1.04 -3.17 116.97 122.70 3h6i h TYR 87 Ca 0.07 -0.63 -0.14 0.00 3.14 0.00 0.00 58.73 61.17 3h6i h TYR 87 Cb 0.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 3h6i h TYR 87 CO -0.00 1.48 -0.67 0.00 -1.64 0.00 0.00 178.16 177.33 3h6i h ALA 88 N 0.21 0.89 -3.00 1.82 0.00 -0.75 -3.45 119.26 114.99 3h6i h ALA 88 Ca -0.20 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.09 3h6i h ALA 88 Cb 1.95 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3h6i h ALA 88 CO 0.24 0.84 0.00 0.66 0.00 0.00 0.00 179.25 180.99 3h6i n TYR 89 N -3.74 0.00 -4.08 0.00 4.01 0.34 -5.08 117.16 108.60 3h6i n TYR 89 Ca -0.01 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.64 3h6i n TYR 89 Cb 0.66 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.60 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 0.61 0.34 0.49 7.72 1.47 -1.20 -4.97 116.67 121.14 3h6i s ASP 90 Ca 0.00 -1.05 0.21 0.00 1.18 0.00 0.00 52.55 52.89 3h6i s ASP 90 Cb 0.00 0.27 1.27 0.00 -0.34 0.00 0.00 42.92 44.12 3h6i s ASP 90 CO 0.00 -0.69 2.05 0.03 0.68 0.00 0.00 175.17 177.24 3h6i h ARG 91 N 2.94 0.00 0.00 2.11 3.08 -1.90 -2.75 114.38 117.87 3h6i h ARG 91 Ca -0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3h6i h ARG 91 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.23 3h6i h ARG 91 CO 0.61 0.14 0.00 0.00 -1.07 0.00 0.00 179.97 179.65 3h6i h ARG 92 N 0.00 0.00 0.00 0.04 3.08 -1.96 -3.04 114.38 112.50 3h6i h ARG 92 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 3h6i h ARG 92 Cb 0.30 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.34 3h6i h ARG 92 CO 0.02 0.00 -0.20 0.22 -1.07 0.00 0.00 179.97 178.94 3h6i h ASP 93 N 0.00 0.00 -3.13 7.04 3.58 -1.86 -3.40 116.42 118.65 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 0.59 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.58 3h6i h ASP 93 CO 0.00 0.20 0.84 -0.69 -2.88 0.00 0.00 179.24 176.71 3h6i s VAL 94 N -4.05 4.52 0.29 2.25 1.01 -1.15 -4.91 120.40 118.37 3h6i s VAL 94 Ca -0.02 1.81 0.02 0.00 0.00 0.00 0.00 61.98 63.79 3h6i s VAL 94 Cb 0.13 -4.28 -0.05 0.00 0.00 0.00 0.00 36.38 32.18 3h6i s VAL 94 CO 0.62 -0.29 0.11 0.42 0.00 0.00 0.00 175.10 175.97 3h6i s THR 95 N 3.48 0.56 0.15 3.92 -4.23 -1.26 -4.95 115.64 113.30 3h6i s THR 95 Ca 0.47 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.91 3h6i s THR 95 Cb -0.15 -2.59 -0.11 0.00 1.34 0.00 0.00 72.50 70.99 3h6i s THR 95 CO 0.11 0.00 1.41 1.23 -0.54 0.00 0.00 174.62 176.83 3h6i h GLY 96 N 2.25 0.69 0.99 3.99 0.00 -1.93 -2.63 103.07 106.43 3h6i h GLY 96 Ca -0.37 -0.91 -0.00 0.00 0.00 0.00 0.00 47.33 46.05 3h6i h GLY 96 CO 0.59 0.81 0.28 -0.09 0.00 0.00 0.00 176.54 178.13 3h6i h ARG 97 N 0.45 0.64 0.16 4.80 2.43 -1.96 0.15 114.38 121.05 3h6i h ARG 97 Ca -0.02 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3h6i h ARG 97 Cb 1.27 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.68 3h6i h ARG 97 CO 0.13 0.47 -0.13 0.37 -1.51 0.00 0.00 179.97 179.30 3h6i h GLN 98 N 0.62 -0.30 -0.44 0.20 4.15 -1.90 -1.43 115.11 116.01 3h6i h GLN 98 Ca 0.17 0.02 -0.07 0.00 0.77 0.00 0.00 58.65 59.54 3h6i h GLN 98 Cb -0.00 0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.73 3h6i h GLN 98 CO -0.03 -0.20 -0.01 -0.07 -1.93 0.00 0.00 178.83 176.59 3h6i h LEU 99 N -0.31 0.70 -0.56 -2.39 3.38 -1.17 -1.49 115.31 113.47 3h6i h LEU 99 Ca -0.00 -0.16 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 3h6i h LEU 99 Cb 0.28 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3h6i h LEU 99 CO -0.02 0.77 0.01 0.00 0.09 0.00 0.00 178.44 179.30 3h6i h ALA 100 N 1.31 0.75 -0.53 1.53 0.00 -0.61 -1.08 119.26 120.62 3h6i h ALA 100 Ca 0.13 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 3h6i h ALA 100 Cb 0.44 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3h6i h ALA 100 CO 0.02 0.57 0.28 -0.97 0.00 0.00 0.00 179.25 179.15 3h6i h ASN 101 N 0.86 0.67 -0.42 0.00 -0.73 -1.02 0.44 115.58 115.39 3h6i h ASN 101 Ca 0.16 -0.10 -0.07 0.00 1.87 0.00 0.00 56.30 58.16 3h6i h ASN 101 Cb 0.53 -0.17 -0.02 0.00 0.27 0.00 0.00 38.32 38.92 3h6i h ASN 101 CO 0.03 0.59 0.03 0.58 -0.37 0.00 0.00 177.43 178.28 3h6i h VAL 102 N 0.71 1.24 -0.23 2.57 2.07 -0.91 -1.74 116.25 119.95 3h6i h VAL 102 Ca 0.19 -0.96 -0.16 0.00 0.82 0.00 0.00 66.70 66.59 3h6i h VAL 102 Cb 0.07 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 3h6i h VAL 102 CO -0.03 0.34 -0.50 1.88 0.02 0.00 0.00 177.57 179.28 3h6i h TYR 103 N 0.76 0.80 -0.48 1.57 0.05 -0.59 -1.45 116.97 117.63 3h6i h TYR 103 Ca 0.15 -0.27 0.00 0.00 0.05 0.00 0.00 58.73 58.67 3h6i h TYR 103 Cb 0.41 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 3h6i h TYR 103 CO 0.02 1.02 0.31 0.00 -1.05 0.00 0.00 178.16 178.46 3h6i h ALA 104 N 0.93 0.61 -0.37 3.88 0.00 -0.58 0.29 119.26 124.02 3h6i h ALA 104 Ca 0.02 -0.04 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3h6i h ALA 104 Cb 1.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3h6i h ALA 104 CO 0.10 0.06 0.00 1.96 0.00 0.00 0.00 179.25 181.38 3h6i h GLN 105 N 0.65 0.64 -0.09 0.00 1.08 -1.21 0.10 115.11 116.27 3h6i h GLN 105 Ca 0.17 -0.20 -0.01 0.00 -1.45 0.00 0.00 58.65 57.16 3h6i h GLN 105 Cb -0.06 -0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.31 3h6i h GLN 105 CO -0.04 0.75 0.01 1.15 -0.95 0.00 0.00 178.83 179.75 3h6i h THR 106 N 0.46 1.23 -0.66 -0.54 2.02 -0.88 -1.36 112.91 113.18 3h6i h THR 106 Ca 0.10 -0.71 -0.08 0.00 0.77 0.00 0.00 66.41 66.49 3h6i h THR 106 Cb 0.45 1.52 -0.03 0.00 -1.74 0.00 0.00 68.15 68.36 3h6i h THR 106 CO 0.02 0.20 0.09 -0.07 0.37 0.00 0.00 175.52 176.13 3h6i h LEU 107 N -0.09 1.07 -0.86 2.58 3.38 -0.41 -1.23 115.31 119.75 3h6i h LEU 107 Ca 0.03 -0.27 0.02 0.00 0.09 0.00 0.00 57.88 57.74 3h6i h LEU 107 Cb 0.31 -0.29 -0.05 0.00 0.09 0.00 0.00 40.66 40.73 3h6i h LEU 107 CO 0.00 1.07 0.57 1.23 0.09 0.00 0.00 178.44 181.41 3h6i h GLY 108 N 1.04 1.23 1.32 0.83 0.00 -0.87 0.98 103.07 107.59 3h6i h GLY 108 Ca 0.20 -0.45 -0.16 0.00 0.00 0.00 0.00 47.33 46.92 3h6i h GLY 108 CO 0.02 0.42 -0.49 -0.84 0.00 0.00 0.00 176.54 175.65 3h6i h THR 109 N 1.15 1.29 -0.24 4.70 2.02 -1.09 -2.67 112.91 118.08 3h6i h THR 109 Ca 0.32 -1.69 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 3h6i h THR 109 Cb -0.10 1.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3h6i h THR 109 CO -0.08 0.54 0.08 0.40 0.37 0.00 0.00 175.52 176.83 3h6i h ILE 110 N 0.57 1.19 -0.28 3.11 2.04 -0.25 -0.46 117.51 123.43 3h6i h ILE 110 Ca 0.03 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.32 3h6i h ILE 110 Cb 1.06 1.14 -0.01 0.00 -0.74 0.00 0.00 36.82 38.27 3h6i h ILE 110 CO 0.10 0.19 0.19 0.15 0.00 0.00 0.00 178.15 178.79 3h6i h PHE 111 N 0.22 0.23 0.04 1.37 3.57 -0.80 -1.37 116.94 120.20 3h6i h PHE 111 Ca 0.08 0.01 -0.37 0.00 3.53 0.00 0.00 57.97 61.21 3h6i h PHE 111 Cb 0.23 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.84 3h6i h PHE 111 CO 0.00 0.14 -2.24 2.41 -2.23 0.00 0.00 178.31 176.39 3h6i n THR 112 N -4.49 1.59 -0.10 4.41 -1.04 -1.01 -4.74 114.28 108.89 3h6i n THR 112 Ca 0.02 -0.65 -0.11 0.00 -2.04 0.00 0.00 64.05 61.26 3h6i n THR 112 Cb 0.18 -1.38 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 3h6i n THR 112 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 3h6i n GLU 113 N -3.25 0.80 -2.44 -2.82 4.71 -0.19 -5.01 120.64 112.43 3h6i n GLU 113 Ca -0.37 0.03 -0.31 0.00 -0.01 0.00 0.00 57.16 56.50 3h6i n GLU 113 Cb 1.04 -1.49 -0.02 0.00 -1.01 0.00 0.00 31.44 29.95 3h6i n GLU 113 CO 0.00 0.00 0.00 -0.65 0.09 0.00 0.00 177.13 176.57 3h6i s GLN 114 N -2.47 3.79 0.23 3.49 -0.21 -0.52 -4.98 119.66 118.99 3h6i s GLN 114 Ca -0.16 0.71 -0.06 0.00 0.02 0.00 0.00 55.36 55.87 3h6i s GLN 114 Cb 0.06 -2.22 0.37 0.00 1.00 0.00 0.00 33.01 32.23 3h6i s GLN 114 CO 0.73 -0.26 1.75 0.00 -2.12 0.00 0.00 175.29 175.39 3h6i h ALA 115 N 0.70 0.97 -3.48 6.09 0.00 -1.95 -3.41 119.26 118.18 3h6i h ALA 115 Ca -0.46 0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.00 3h6i h ALA 115 Cb 1.19 0.03 -0.33 0.00 0.00 0.00 0.00 17.79 18.68 3h6i h ALA 115 CO 0.62 -0.15 -0.82 0.21 0.00 0.00 0.00 179.25 179.11 3h6i s LYS 116 N -6.05 1.82 0.78 0.00 2.20 -1.26 -5.13 119.74 112.09 3h6i s LYS 116 Ca -0.13 -0.48 -0.11 0.00 -0.36 0.00 0.00 55.97 54.90 3h6i s LYS 116 Cb 0.19 -1.49 0.06 0.00 -1.51 0.00 0.00 37.83 35.07 3h6i s LYS 116 CO 0.76 0.07 1.09 -1.25 -0.36 0.00 0.00 175.35 175.66 3h6i s PRO 117 N 0.54 2.24 0.03 4.03 0.04 -1.26 -4.88 135.00 135.73 3h6i s PRO 117 Ca -0.13 1.16 -0.30 0.00 0.04 0.00 0.00 61.00 61.76 3h6i s PRO 117 Cb -0.15 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.45 3h6i s PRO 117 CO 0.04 -1.65 1.04 0.71 0.04 0.00 0.00 177.00 177.18 3h6i s TYR 118 N -2.91 3.61 -1.34 0.56 1.51 -1.26 -4.90 117.35 112.62 3h6i s TYR 118 Ca 0.61 1.60 -0.10 0.00 -1.01 0.00 0.00 57.07 58.17 3h6i s TYR 118 Cb -0.17 -3.20 0.12 0.00 -0.11 0.00 0.00 41.96 38.60 3h6i s TYR 118 CO 0.56 -0.35 2.06 0.39 -1.11 0.00 0.00 175.55 177.10 3h6i n GLU 119 N 3.78 3.56 -3.97 -0.62 1.02 -1.26 -4.72 120.64 118.43 3h6i n GLU 119 Ca 0.06 -3.25 -0.08 0.00 -0.02 0.00 0.00 57.16 53.87 3h6i n GLU 119 Cb 0.49 -2.97 -0.08 0.00 -0.02 0.00 0.00 31.44 28.86 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 0.92 0.16 -0.08 2.62 -7.23 -1.26 -1.15 120.40 114.38 3h6i s VAL 120 Ca 0.44 -1.48 -0.03 0.00 -1.81 0.00 0.00 61.98 59.10 3h6i s VAL 120 Cb 0.12 -1.51 0.04 0.00 0.56 0.00 0.00 36.38 35.59 3h6i s VAL 120 CO -0.03 -0.72 0.17 -0.70 -0.31 0.00 0.00 175.10 173.50 3h6i s GLU 121 N -3.91 0.10 0.11 4.82 2.12 -0.63 -3.13 118.70 118.18 3h6i s GLU 121 Ca 0.09 0.43 0.10 0.00 0.36 0.00 0.00 54.97 55.95 3h6i s GLU 121 Cb 0.06 -0.18 -0.04 0.00 0.26 0.00 0.00 34.13 34.23 3h6i s GLU 121 CO -0.08 -0.19 -0.25 -0.51 -0.54 0.00 0.00 175.26 173.69 3h6i s LEU 122 N 1.38 2.39 -0.08 2.70 1.02 -0.01 -1.45 118.68 124.63 3h6i s LEU 122 Ca -0.07 -0.67 0.03 0.00 0.02 0.00 0.00 54.13 53.44 3h6i s LEU 122 Cb -0.11 -1.31 0.01 0.00 0.02 0.00 0.00 46.19 44.79 3h6i s LEU 122 CO -0.06 0.20 -0.15 0.00 0.02 0.00 0.00 176.35 176.36 3h6i s VAL 124 N 0.64 2.27 0.16 0.00 1.01 -0.67 -1.32 120.40 122.49 3h6i s VAL 124 Ca -0.15 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.04 3h6i s VAL 124 Cb -0.16 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 3h6i s VAL 124 CO 0.04 0.53 -0.24 0.00 0.00 0.00 0.00 175.10 175.44 3h6i s ALA 125 N 0.95 2.37 -0.03 5.51 0.00 -0.82 -0.48 121.76 129.26 3h6i s ALA 125 Ca -0.03 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.38 3h6i s ALA 125 Cb -0.15 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.67 3h6i s ALA 125 CO -0.04 0.44 0.05 -2.00 0.00 0.00 0.00 175.76 174.21 3h6i s GLU 126 N -2.44 0.01 0.42 0.00 2.12 -0.47 -0.66 118.70 117.68 3h6i s GLU 126 Ca 0.17 0.17 0.07 0.00 0.36 0.00 0.00 54.97 55.74 3h6i s GLU 126 Cb -0.08 -0.13 -0.04 0.00 0.26 0.00 0.00 34.13 34.14 3h6i s GLU 126 CO 0.08 -0.10 0.26 0.14 -0.54 0.00 0.00 175.26 175.10 3h6i s VAL 127 N 0.68 2.41 0.78 3.70 -7.23 -0.95 -1.16 120.40 118.63 3h6i s VAL 127 Ca -0.05 -1.56 -0.11 0.00 -1.81 0.00 0.00 61.98 58.45 3h6i s VAL 127 Cb -0.08 -2.97 0.06 0.00 0.56 0.00 0.00 36.38 33.96 3h6i s VAL 127 CO -0.02 0.00 1.11 0.00 -0.31 0.00 0.00 175.10 175.88 3h6i s ALA 128 N -2.56 2.14 0.76 1.32 0.00 -1.26 -4.85 121.76 117.31 3h6i s ALA 128 Ca 0.43 0.39 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 3h6i s ALA 128 Cb 0.01 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.85 3h6i s ALA 128 CO 0.24 -1.89 1.09 -1.01 0.00 0.00 0.00 175.76 174.19 3h6i s HIS 129 N -2.74 2.98 0.22 0.00 3.76 -1.26 -4.81 115.29 113.44 3h6i s HIS 129 Ca 0.64 1.21 -0.32 0.00 -0.15 0.00 0.00 55.06 56.44 3h6i s HIS 129 Cb -0.19 -3.05 -0.13 0.00 1.11 0.00 0.00 32.58 30.33 3h6i s HIS 129 CO 0.54 -1.54 1.57 0.98 -0.85 0.00 0.00 174.74 175.44 3h6i n TYR 130 N -3.29 2.48 -1.07 1.40 9.36 -1.26 -2.17 117.16 122.61 3h6i n TYR 130 Ca 0.07 0.26 -0.02 0.00 3.32 0.00 0.00 57.90 61.53 3h6i n TYR 130 Cb 0.56 -2.56 -0.01 0.00 -0.63 0.00 0.00 39.34 36.69 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 2.91 0.56 3.57 2.98 0.00 -1.26 -5.02 105.19 108.92 3h6i n GLY 131 Ca 0.13 -0.37 -0.24 0.00 0.00 0.00 0.00 46.02 45.55 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 -1.36 2.01 -0.29 1.61 2.02 -0.92 -5.11 118.70 116.66 3h6i s GLU 132 Ca 0.00 -1.59 0.03 0.00 0.02 0.00 0.00 54.97 53.43 3h6i s GLU 132 Cb 0.00 -1.98 0.08 0.00 0.10 0.00 0.00 34.13 32.33 3h6i s GLU 132 CO 0.00 0.34 -0.02 0.95 0.02 0.00 0.00 175.26 176.55 3h6i s THR 133 N -2.42 2.01 -0.07 3.63 -4.23 -1.26 -4.78 115.64 108.52 3h6i s THR 133 Ca 0.31 -1.86 -0.05 0.00 -1.18 0.00 0.00 61.69 58.90 3h6i s THR 133 Cb -0.05 -2.33 0.02 0.00 1.34 0.00 0.00 72.50 71.48 3h6i s THR 133 CO 0.18 -0.34 0.17 -0.75 -0.54 0.00 0.00 174.62 173.34 3h6i s LYS 134 N 1.10 0.18 0.21 3.99 2.20 -1.26 -5.11 119.74 121.06 3h6i s LYS 134 Ca 0.02 0.28 -0.30 0.00 -0.36 0.00 0.00 55.97 55.61 3h6i s LYS 134 Cb -0.19 0.04 -0.08 0.00 -1.51 0.00 0.00 37.83 36.08 3h6i s LYS 134 CO -0.08 -0.06 1.14 1.03 -0.36 0.00 0.00 175.35 177.03 3h6i s ARG 135 N 0.35 4.56 0.41 4.03 0.52 -1.26 -4.41 118.95 123.15 3h6i s ARG 135 Ca -0.02 1.82 -0.26 0.00 -0.52 0.00 0.00 55.73 56.75 3h6i s ARG 135 Cb -0.03 -3.23 -0.10 0.00 0.52 0.00 0.00 34.95 32.10 3h6i s ARG 135 CO -0.01 0.04 1.23 -2.30 0.02 0.00 0.00 175.30 174.27 3h6i n PRO 136 N 2.05 1.84 -4.80 3.54 -0.02 -1.26 -4.86 135.00 131.48 3h6i n PRO 136 Ca 0.02 0.65 -0.33 0.00 -2.02 0.00 0.00 63.50 61.83 3h6i n PRO 136 Cb 0.45 -2.31 -0.13 0.00 -0.02 0.00 0.00 33.50 31.49 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 -2.14 2.71 -0.06 -0.52 2.02 -0.31 -4.97 118.70 115.42 3h6i s GLU 137 Ca 0.61 -0.66 0.01 0.00 0.02 0.00 0.00 54.97 54.96 3h6i s GLU 137 Cb -0.52 -2.48 0.02 0.00 0.10 0.00 0.00 34.13 31.25 3h6i s GLU 137 CO 0.58 0.57 -0.08 -0.51 0.02 0.00 0.00 175.26 175.84 3h6i s LEU 138 N -0.57 1.41 0.04 1.80 1.02 -1.23 -1.37 118.68 119.79 3h6i s LEU 138 Ca 0.08 -0.21 0.09 0.00 0.02 0.00 0.00 54.13 54.11 3h6i s LEU 138 Cb -0.12 -0.64 -0.03 0.00 0.02 0.00 0.00 46.19 45.43 3h6i s LEU 138 CO 0.01 -0.03 -0.25 -0.31 0.02 0.00 0.00 176.35 175.80 3h6i s TYR 139 N 0.93 2.18 -0.14 0.29 1.51 0.37 -1.77 117.35 120.71 3h6i s TYR 139 Ca -0.10 -0.40 0.01 0.00 -1.01 0.00 0.00 57.07 55.56 3h6i s TYR 139 Cb -0.15 -1.30 -0.00 0.00 -0.11 0.00 0.00 41.96 40.39 3h6i s TYR 139 CO 0.01 0.11 -0.16 0.50 -1.11 0.00 0.00 175.55 174.90 3h6i s ARG 140 N -1.20 3.23 -0.10 -0.62 3.52 -0.37 -1.67 118.95 121.74 3h6i s ARG 140 Ca 0.10 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 54.98 3h6i s ARG 140 Cb -0.10 -2.58 0.01 0.00 -1.56 0.00 0.00 34.95 30.72 3h6i s ARG 140 CO 0.02 0.09 -0.20 0.42 -0.81 0.00 0.00 175.30 174.82 3h6i s ILE 141 N 0.63 1.77 0.37 4.11 1.09 0.30 -1.14 121.20 128.34 3h6i s ILE 141 Ca -0.09 -0.83 0.07 0.00 -1.10 0.00 0.00 60.65 58.71 3h6i s ILE 141 Cb -0.16 -1.56 -0.02 0.00 -1.06 0.00 0.00 42.46 39.66 3h6i s ILE 141 CO 0.03 0.49 0.39 0.42 -0.10 0.00 0.00 174.94 176.17 3h6i s THR 142 N 0.64 3.29 0.61 2.92 -4.23 -0.46 -0.83 115.64 117.58 3h6i s THR 142 Ca -0.13 -1.24 0.25 0.00 -1.18 0.00 0.00 61.69 59.39 3h6i s THR 142 Cb -0.16 -3.14 0.34 0.00 1.34 0.00 0.00 72.50 70.88 3h6i s THR 142 CO 0.03 -0.09 1.57 0.10 -0.54 0.00 0.00 174.62 175.69 3h6i h TYR 143 N 1.03 0.00 -0.01 3.99 -0.00 -1.83 0.06 116.97 120.21 3h6i h TYR 143 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.30 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 -0.52 -0.40 -0.00 0.00 0.00 178.16 177.72 3h6i n ASP 144 N -3.31 1.79 0.00 0.10 5.75 -1.26 -4.55 116.55 115.07 3h6i n ASP 144 Ca 0.13 -1.39 0.00 0.00 -0.01 0.00 0.00 54.79 53.51 3h6i n ASP 144 Cb 1.03 0.56 0.00 0.00 -1.03 0.00 0.00 41.12 41.67 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 1.38 1.02 3.74 6.12 0.00 0.01 -4.08 105.19 113.37 3h6i n GLY 145 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.69 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 7.53 -0.07 1.61 0.01 -1.25 -4.74 113.70 114.79 3h6i s SER 146 Ca 0.00 1.88 0.05 0.00 1.31 0.00 0.00 55.95 59.19 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 -0.00 -0.22 -0.51 0.41 0.00 0.00 173.24 172.91 3h6i s ILE 147 N -0.45 1.86 -0.06 1.44 2.07 -1.26 -1.36 121.20 123.45 3h6i s ILE 147 Ca 0.45 -0.94 0.03 0.00 -1.41 0.00 0.00 60.65 58.78 3h6i s ILE 147 Cb -0.25 -1.60 0.01 0.00 0.13 0.00 0.00 42.46 40.75 3h6i s ILE 147 CO 0.31 0.52 -0.14 0.00 -1.91 0.00 0.00 174.94 173.72 3h6i s ALA 148 N 0.09 1.35 -0.49 1.50 0.00 -0.29 -4.98 121.76 118.93 3h6i s ALA 148 Ca -0.09 -0.51 -0.19 0.00 0.00 0.00 0.00 51.96 51.17 3h6i s ALA 148 Cb -0.15 -0.54 0.05 0.00 0.00 0.00 0.00 23.12 22.48 3h6i s ALA 148 CO 0.05 0.17 0.62 0.34 0.00 0.00 0.00 175.76 176.94 3h6i s ASP 149 N 0.45 6.24 -0.19 0.00 -1.08 -1.26 -1.23 116.67 119.59 3h6i s ASP 149 Ca -0.11 -0.79 -0.10 0.00 -0.52 0.00 0.00 52.55 51.03 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 0.03 -0.86 0.13 -1.61 0.52 0.00 0.00 175.17 173.39 3h6i s GLU 150 N 2.66 4.09 0.25 4.34 0.41 -0.73 -5.03 118.70 124.69 3h6i s GLU 150 Ca 0.16 -0.20 0.23 0.00 -0.41 0.00 0.00 54.97 54.75 3h6i s GLU 150 Cb -0.18 -3.39 0.13 0.00 -1.78 0.00 0.00 34.13 28.91 3h6i s GLU 150 CO 0.13 0.37 1.22 -1.00 -0.49 0.00 0.00 175.26 175.49 3h6i h PRO 151 N 6.44 0.00 0.00 0.39 0.13 -1.94 -3.25 132.00 133.77 3h6i h PRO 151 Ca -0.43 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 3h6i h PRO 151 Cb 1.16 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.29 3h6i h PRO 151 CO 0.74 0.00 -1.13 0.72 -0.23 0.00 0.00 178.00 178.09 3h6i n HIS 152 N -2.71 0.00 -3.71 1.56 8.25 -1.26 -4.87 115.22 112.47 3h6i n HIS 152 Ca 0.01 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.37 3h6i n HIS 152 Cb 0.53 -0.09 -0.04 0.00 1.12 0.00 0.00 29.99 31.51 3h6i n HIS 152 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 3h6i s PHE 153 N -2.04 -0.11 -0.01 4.41 -0.12 -1.26 -1.90 117.98 116.95 3h6i s PHE 153 Ca -0.03 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.63 3h6i s PHE 153 Cb 0.01 0.29 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 3h6i s PHE 153 CO 0.04 -0.80 -0.03 0.08 -0.05 0.00 0.00 175.22 174.46 3h6i s VAL 154 N -3.85 0.24 -0.07 -2.49 1.01 0.45 -4.89 120.40 110.80 3h6i s VAL 154 Ca 0.07 -0.09 0.02 0.00 0.00 0.00 0.00 61.98 61.98 3h6i s VAL 154 Cb 0.01 -0.23 0.01 0.00 0.00 0.00 0.00 36.38 36.16 3h6i s VAL 154 CO -0.07 0.09 -0.13 -0.69 0.00 0.00 0.00 175.10 174.30 3h6i s VAL 155 N 0.16 1.20 0.02 2.92 1.01 -1.26 -1.07 120.40 123.38 3h6i s VAL 155 Ca -0.01 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.47 3h6i s VAL 155 Cb -0.04 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3h6i s VAL 155 CO -0.00 0.37 -0.06 -0.04 0.00 0.00 0.00 175.10 175.36 3h6i s MET 156 N 0.66 0.47 0.08 2.72 -1.94 0.52 -5.00 119.30 116.81 3h6i s MET 156 Ca -0.15 -0.50 0.00 0.00 -1.71 0.00 0.00 55.69 53.33 3h6i s MET 156 Cb -0.16 -0.32 0.00 0.00 2.01 0.00 0.00 34.83 36.36 3h6i s MET 156 CO 0.04 0.07 0.00 0.41 -0.01 0.00 0.00 175.02 175.53 3h6i n GLY 157 N 2.11 -2.85 7.00 -0.03 0.00 -1.26 0.19 105.19 110.35 3h6i n GLY 157 Ca -0.19 -1.32 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 -2.00 1.79 3.26 -0.02 0.00 -0.38 -4.17 105.19 103.67 3h6i n GLY 158 Ca -0.01 -0.60 -0.44 0.00 0.00 0.00 0.00 46.02 44.98 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 4.78 0.13 2.61 -4.23 -1.26 -4.28 115.64 113.39 3h6i s THR 159 Ca 0.00 -1.75 -0.10 0.00 -1.18 0.00 0.00 61.69 58.66 3h6i s THR 159 Cb 0.00 -4.09 -0.09 0.00 1.34 0.00 0.00 72.50 69.67 3h6i s THR 159 CO 0.00 -0.84 1.42 0.71 -0.54 0.00 0.00 174.62 175.36 3h6i h THR 160 N 5.88 1.28 -0.46 3.99 1.35 -1.96 -3.38 112.91 119.61 3h6i h THR 160 Ca -0.22 -1.75 0.09 0.00 -0.55 0.00 0.00 66.41 63.98 3h6i h THR 160 Cb 1.08 1.66 -0.08 0.00 -1.73 0.00 0.00 68.15 69.08 3h6i h THR 160 CO 0.93 0.57 -0.08 -0.33 -0.25 0.00 0.00 175.52 176.36 3h6i h GLU 161 N 0.63 0.03 0.00 4.72 3.07 -1.96 0.12 114.58 121.19 3h6i h GLU 161 Ca 0.01 -0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.80 3h6i h GLU 161 Cb 1.16 -0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 29.06 3h6i h GLU 161 CO 0.12 0.02 -0.32 -1.00 -1.40 0.00 0.00 179.01 176.43 3h6i h PRO 162 N 0.03 0.00 0.00 2.33 0.13 -1.95 -0.96 132.00 131.59 3h6i h PRO 162 Ca 0.23 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 65.11 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 -0.45 0.32 -0.97 0.82 -0.23 0.00 0.00 178.00 177.49 3h6i h ILE 163 N 0.00 1.30 -0.47 -3.56 2.04 -1.60 -2.23 117.51 112.98 3h6i h ILE 163 Ca -0.00 -2.22 -0.08 0.00 1.00 0.00 0.00 64.86 63.55 3h6i h ILE 163 Cb 0.64 2.43 -0.02 0.00 -0.74 0.00 0.00 36.82 39.13 3h6i h ILE 163 CO 0.04 0.68 -0.03 0.00 0.00 0.00 0.00 178.15 178.84 3h6i h ALA 164 N 0.38 0.64 -0.24 1.87 0.00 -0.59 -2.50 119.26 118.82 3h6i h ALA 164 Ca -0.12 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.35 3h6i h ALA 164 Cb 1.64 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 19.25 3h6i h ALA 164 CO 0.19 0.47 -0.43 -0.91 0.00 0.00 0.00 179.25 178.58 3h6i h ASN 165 N 0.71 0.63 0.26 0.00 -0.26 -1.23 -1.59 115.58 114.09 3h6i h ASN 165 Ca 0.13 -0.29 -0.06 0.00 -0.56 0.00 0.00 56.30 55.52 3h6i h ASN 165 Cb 0.55 -0.18 -0.01 0.00 -1.06 0.00 0.00 38.32 37.63 3h6i h ASN 165 CO 0.03 0.98 -0.27 0.00 -1.06 0.00 0.00 177.43 177.10 3h6i h ALA 166 N 1.05 1.53 0.22 -0.83 0.00 -1.29 -2.88 119.26 117.06 3h6i h ALA 166 Ca 0.04 -0.25 -0.33 0.00 0.00 0.00 0.00 54.91 54.36 3h6i h ALA 166 Cb 0.94 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 18.71 3h6i h ALA 166 CO 0.08 0.36 -1.52 -0.07 0.00 0.00 0.00 179.25 178.10 3h6i h LEU 167 N 0.02 0.74 -1.57 0.00 3.38 -1.22 -2.01 115.31 114.66 3h6i h LEU 167 Ca 0.00 -0.93 0.19 0.00 0.09 0.00 0.00 57.88 57.23 3h6i h LEU 167 Cb 0.49 -0.24 -0.06 0.00 0.09 0.00 0.00 40.66 40.95 3h6i h LEU 167 CO 0.04 1.72 0.57 0.11 0.09 0.00 0.00 178.44 180.96 3h6i h LYS 168 N 0.08 0.37 0.06 1.13 1.57 -1.09 0.86 116.57 119.55 3h6i h LYS 168 Ca -0.28 -0.02 -0.34 0.00 -1.87 0.00 0.00 60.65 58.14 3h6i h LYS 168 Cb 2.10 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 34.29 3h6i h LYS 168 CO 0.23 0.24 -1.92 0.39 -0.57 0.00 0.00 179.45 177.82 3h6i n GLU 169 N -4.48 0.70 0.03 3.15 1.02 -1.13 -4.49 120.64 115.43 3h6i n GLU 169 Ca 0.18 0.26 0.03 0.00 -0.02 0.00 0.00 57.16 57.61 3h6i n GLU 169 Cb 0.66 -1.73 -0.08 0.00 -0.02 0.00 0.00 31.44 30.27 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 -3.24 0.66 -4.75 1.62 3.41 -0.60 -4.96 113.62 105.76 3h6i n SER 170 Ca -0.26 0.28 -0.41 0.00 -0.26 0.00 0.00 58.87 58.21 3h6i n SER 170 Cb 1.05 0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 65.54 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 -3.07 3.21 -0.01 7.33 5.04 0.29 -5.04 117.35 125.10 3h6i s TYR 171 Ca -0.04 1.27 0.02 0.00 -2.44 0.00 0.00 57.07 55.88 3h6i s TYR 171 Cb 0.09 -3.62 0.00 0.00 0.35 0.00 0.00 41.96 38.79 3h6i s TYR 171 CO 0.82 -1.87 -0.05 0.00 -1.34 0.00 0.00 175.55 173.11 3h6i s ALA 172 N -0.23 0.48 0.53 3.97 0.00 -1.26 -4.97 121.76 120.29 3h6i s ALA 172 Ca 0.55 -0.19 -0.19 0.00 0.00 0.00 0.00 51.96 52.13 3h6i s ALA 172 Cb -0.37 -0.17 -0.07 0.00 0.00 0.00 0.00 23.12 22.51 3h6i s ALA 172 CO 0.42 0.09 1.09 -1.21 0.00 0.00 0.00 175.76 176.14 3h6i s GLU 173 N 0.09 3.51 -1.49 0.00 2.02 -1.26 -3.78 118.70 117.79 3h6i s GLU 173 Ca -0.01 1.47 -0.02 0.00 0.02 0.00 0.00 54.97 56.44 3h6i s GLU 173 Cb -0.05 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.14 3h6i s GLU 173 CO -0.00 -0.69 0.24 0.09 0.02 0.00 0.00 175.26 174.91 3h6i n ASN 174 N -1.26 -5.47 -4.75 -0.19 4.13 -1.26 -4.99 115.26 101.48 3h6i n ASN 174 Ca 0.10 -0.12 -0.34 0.00 1.68 0.00 0.00 54.58 55.91 3h6i n ASN 174 Cb 0.52 -4.43 0.07 0.00 -1.54 0.00 0.00 39.78 34.40 3h6i n ASN 174 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3h6i s ALA 175 N -3.00 2.30 0.89 5.41 0.00 -1.25 -4.43 121.76 121.67 3h6i s ALA 175 Ca 0.12 0.72 -0.11 0.00 0.00 0.00 0.00 51.96 52.69 3h6i s ALA 175 Cb -0.05 -3.39 0.18 0.00 0.00 0.00 0.00 23.12 19.86 3h6i s ALA 175 CO 0.15 -1.56 1.22 -1.12 0.00 0.00 0.00 175.76 174.44 3h6i s SER 176 N -2.28 3.46 0.05 0.00 0.01 -1.26 -1.07 113.70 112.61 3h6i s SER 176 Ca 0.71 0.01 -0.23 0.00 1.31 0.00 0.00 55.95 57.75 3h6i s SER 176 Cb -0.25 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 65.70 3h6i s SER 176 CO 0.43 -2.49 1.54 0.25 0.41 0.00 0.00 173.24 173.38 3h6i h LEU 177 N -1.30 0.10 -0.70 2.44 5.85 -1.98 -0.44 115.31 119.29 3h6i h LEU 177 Ca -0.41 -0.23 0.07 0.00 0.84 0.00 0.00 57.88 58.15 3h6i h LEU 177 Cb 1.24 -0.03 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 3h6i h LEU 177 CO 0.37 0.30 0.39 0.74 -0.34 0.00 0.00 178.44 179.90 3h6i h THR 178 N -0.10 0.95 0.05 1.05 2.02 -1.95 0.55 112.91 115.48 3h6i h THR 178 Ca 0.02 -0.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.96 3h6i h THR 178 Cb 0.24 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3h6i h THR 178 CO 0.00 0.13 -0.02 0.44 0.37 0.00 0.00 175.52 176.44 3h6i h ASP 179 N 0.71 -0.06 -0.68 4.18 3.32 -1.91 -0.06 116.42 121.93 3h6i h ASP 179 Ca 0.32 -0.38 -0.04 0.00 0.02 0.00 0.00 57.03 56.95 3h6i h ASP 179 Cb 0.22 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 3h6i h ASP 179 CO -0.20 0.36 0.28 0.00 -1.72 0.00 0.00 179.24 177.97 3h6i h ALA 180 N 0.43 0.88 -0.28 3.45 0.00 -0.88 0.17 119.26 123.03 3h6i h ALA 180 Ca -0.01 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3h6i h ALA 180 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3h6i h ALA 180 CO 0.01 0.49 0.09 1.25 0.00 0.00 0.00 179.25 181.08 3h6i h LEU 181 N 0.96 0.41 -0.73 0.00 5.85 0.15 -0.01 115.31 121.94 3h6i h LEU 181 Ca 0.23 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 3h6i h LEU 181 Cb 0.19 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.08 3h6i h LEU 181 CO -0.02 0.51 0.28 0.03 -0.34 0.00 0.00 178.44 178.90 3h6i h ARG 182 N 0.29 1.09 -0.57 1.25 3.08 -0.73 -0.32 114.38 118.47 3h6i h ARG 182 Ca 0.09 -0.20 -0.02 0.00 0.07 0.00 0.00 59.98 59.91 3h6i h ARG 182 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.09 3h6i h ARG 182 CO -0.00 0.90 0.27 0.82 -1.07 0.00 0.00 179.97 180.89 3h6i h ILE 183 N 1.05 1.21 -0.63 2.04 2.04 -0.50 -0.14 117.51 122.59 3h6i h ILE 183 Ca 0.24 -0.59 -0.06 0.00 1.00 0.00 0.00 64.86 65.45 3h6i h ILE 183 Cb 0.23 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 3h6i h ILE 183 CO -0.02 0.24 0.17 0.00 0.00 0.00 0.00 178.15 178.54 3h6i h ALA 184 N 1.11 0.82 -0.71 1.87 0.00 -0.55 -0.30 119.26 121.50 3h6i h ALA 184 Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3h6i h ALA 184 Cb 0.13 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.64 3h6i h ALA 184 CO -0.02 0.52 0.33 0.28 0.00 0.00 0.00 179.25 180.36 3h6i h VAL 185 N 0.91 1.23 -0.65 0.00 2.07 -0.67 -0.31 116.25 118.85 3h6i h VAL 185 Ca 0.20 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 67.02 3h6i h VAL 185 Cb 0.33 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 3h6i h VAL 185 CO -0.00 0.28 0.26 0.00 0.02 0.00 0.00 177.57 178.13 3h6i h ALA 186 N 1.16 0.84 -0.73 1.67 0.00 -0.55 0.82 119.26 122.47 3h6i h ALA 186 Ca 0.24 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 3h6i h ALA 186 Cb 0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3h6i h ALA 186 CO -0.03 0.45 0.27 0.00 0.00 0.00 0.00 179.25 179.95 3h6i h ALA 187 N 1.11 0.95 -0.54 0.00 0.00 -0.58 -1.79 119.26 118.41 3h6i h ALA 187 Ca 0.22 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 3h6i h ALA 187 Cb 0.20 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3h6i h ALA 187 CO -0.02 0.60 0.01 -0.07 0.00 0.00 0.00 179.25 179.77 3h6i h LEU 188 N 1.06 0.92 -2.04 0.00 4.07 -0.68 -2.14 115.31 116.50 3h6i h LEU 188 Ca 0.24 -0.30 0.10 0.00 0.08 0.00 0.00 57.88 58.00 3h6i h LEU 188 Cb 0.24 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.72 3h6i h LEU 188 CO -0.02 1.00 0.27 -0.09 -1.08 0.00 0.00 178.44 178.52 3h6i h ARG 189 N 0.82 0.00 -0.47 1.13 2.43 -0.42 0.51 114.38 118.38 3h6i h ARG 189 Ca 0.15 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 3h6i h ARG 189 Cb 0.52 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.05 3h6i h ARG 189 CO 0.03 0.00 0.11 0.00 -1.51 0.00 0.00 179.97 178.60 3h6i h ALA 190 N 1.79 1.31 0.97 2.80 0.00 -0.64 -3.51 119.26 121.99 3h6i h ALA 190 Ca 0.16 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 3h6i h ALA 190 Cb 0.70 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.30 3h6i h ALA 190 CO -0.00 0.49 -0.47 0.78 0.00 0.00 0.00 179.25 180.05 3h6i h GLY 191 N 0.90 -1.36 -0.09 0.00 0.00 0.02 -3.45 103.07 99.08 3h6i h GLY 191 Ca 0.15 0.50 0.00 0.00 0.00 0.00 0.00 47.33 47.99 3h6i h GLY 191 CO -0.00 -0.50 0.00 0.61 0.00 0.00 0.00 176.54 176.65 3h6i n GLY 204 N -1.55 0.00 0.18 4.60 0.00 -1.26 -5.05 105.19 102.10 3h6i n GLY 204 Ca -0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.21 1.36 0.00 1.61 2.07 -1.97 -3.13 116.25 115.98 3h6i h VAL 205 Ca 0.00 -1.83 -0.07 0.00 0.82 0.00 0.00 66.70 65.62 3h6i h VAL 205 Cb 0.00 1.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.66 3h6i h VAL 205 CO 0.00 0.54 -0.34 0.00 0.02 0.00 0.00 177.57 177.79 3h6i h ALA 206 N 1.26 1.24 -0.18 1.67 0.00 -1.94 -2.45 119.26 118.86 3h6i h ALA 206 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h6i h ALA 206 Cb 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h6i h ALA 206 CO 0.08 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.63 3h6i n SER 207 N -3.85 2.22 -4.24 0.00 3.41 -1.19 -4.23 113.62 105.74 3h6i n SER 207 Ca -0.01 -1.78 -0.24 0.00 -0.26 0.00 0.00 58.87 56.58 3h6i n SER 207 Cb 0.41 -0.11 -0.14 0.00 -0.26 0.00 0.00 64.21 64.12 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 -1.67 2.20 -0.15 1.04 1.43 -0.92 -0.57 118.68 120.03 3h6i s LEU 208 Ca 0.34 -0.55 0.00 0.00 -1.03 0.00 0.00 54.13 52.90 3h6i s LEU 208 Cb 0.20 -0.90 0.03 0.00 0.03 0.00 0.00 46.19 45.55 3h6i s LEU 208 CO 0.29 0.12 -0.10 -0.70 0.23 0.00 0.00 176.35 176.19 3h6i s GLU 209 N -1.32 1.86 0.00 1.70 2.12 -0.94 -4.84 118.70 117.28 3h6i s GLU 209 Ca 0.06 -0.51 0.04 0.00 0.36 0.00 0.00 54.97 54.92 3h6i s GLU 209 Cb -0.09 -1.99 -0.01 0.00 0.26 0.00 0.00 34.13 32.30 3h6i s GLU 209 CO 0.02 -0.32 -0.13 0.08 -0.54 0.00 0.00 175.26 174.38 3h6i s VAL 210 N 1.56 1.01 0.10 3.70 1.01 -1.26 -1.30 120.40 125.22 3h6i s VAL 210 Ca 0.03 -0.65 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 3h6i s VAL 210 Cb -0.14 -0.87 0.07 0.00 0.00 0.00 0.00 36.38 35.45 3h6i s VAL 210 CO -0.09 0.21 0.63 0.00 0.00 0.00 0.00 175.10 175.85 3h6i s ALA 211 N -0.43 -1.65 0.14 5.51 0.00 -0.59 -1.94 121.76 122.80 3h6i s ALA 211 Ca 0.04 0.74 0.07 0.00 0.00 0.00 0.00 51.96 52.80 3h6i s ALA 211 Cb -0.06 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.65 3h6i s ALA 211 CO -0.00 -0.65 -0.14 0.14 0.00 0.00 0.00 175.76 175.10 3h6i s VAL 212 N -3.00 1.47 -0.62 0.00 -7.23 -0.25 0.22 120.40 110.98 3h6i s VAL 212 Ca -0.02 -1.86 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 3h6i s VAL 212 Cb -0.01 -1.70 0.16 0.00 0.56 0.00 0.00 36.38 35.39 3h6i s VAL 212 CO -0.06 -0.46 0.48 -0.76 -0.31 0.00 0.00 175.10 173.99 3h6i s LEU 213 N -2.70 5.77 -0.59 1.32 1.43 -0.25 -1.14 118.68 122.52 3h6i s LEU 213 Ca 0.13 -2.49 -0.26 0.00 -1.03 0.00 0.00 54.13 50.48 3h6i s LEU 213 Cb -0.04 -1.99 0.04 0.00 0.03 0.00 0.00 46.19 44.23 3h6i s LEU 213 CO 0.04 -0.53 1.09 -0.62 0.23 0.00 0.00 176.35 176.56 3h6i s ASP 214 N 1.72 6.36 0.00 2.29 2.15 0.56 -1.88 116.67 127.87 3h6i s ASP 214 Ca 0.13 -0.20 0.06 0.00 0.43 0.00 0.00 52.55 52.97 3h6i s ASP 214 Cb -0.20 -2.50 0.27 0.00 -0.30 0.00 0.00 42.92 40.20 3h6i s ASP 214 CO -0.04 -1.42 1.14 0.00 -0.17 0.00 0.00 175.17 174.68 3h6i n ALA 215 N 8.11 1.34 1.17 3.66 0.00 -0.09 -1.27 120.51 133.43 3h6i n ALA 215 Ca 0.04 -0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3h6i n ALA 215 Cb 0.48 -1.10 0.27 0.00 0.00 0.00 0.00 19.45 19.11 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 -1.43 1.21 -4.77 0.00 5.15 -1.26 -4.51 115.26 109.65 3h6i n ASN 216 Ca 0.02 -0.99 -0.38 0.00 -0.60 0.00 0.00 54.58 52.63 3h6i n ASN 216 Cb 0.06 0.24 -0.04 0.00 -0.53 0.00 0.00 39.78 39.51 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 -2.54 4.33 0.13 1.20 1.81 -0.40 -4.98 118.95 118.51 3h6i s ARG 217 Ca 0.22 1.60 -0.16 0.00 -1.72 0.00 0.00 55.73 55.67 3h6i s ARG 217 Cb 0.19 -2.76 -0.01 0.00 -0.45 0.00 0.00 34.95 31.92 3h6i s ARG 217 CO 0.55 -0.01 1.69 -1.35 -0.68 0.00 0.00 175.30 175.50 3h6i h PRO 218 N 2.95 0.58 0.00 3.54 0.11 -1.90 -3.41 132.00 133.88 3h6i h PRO 218 Ca -0.48 -0.10 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3h6i h PRO 218 Cb 1.21 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3h6i h PRO 218 CO 0.64 0.54 -0.19 -2.13 -0.21 0.00 0.00 178.00 176.64 3h6i n ARG 219 N -4.67 0.00 -3.11 1.05 0.63 -1.26 -4.45 116.66 104.85 3h6i n ARG 219 Ca -0.00 0.00 -0.43 0.00 -0.92 0.00 0.00 57.85 56.50 3h6i n ARG 219 Cb 0.13 -0.23 -0.07 0.00 0.45 0.00 0.00 32.46 32.74 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 3.32 0.14 -0.14 0.52 -1.26 -4.36 118.95 115.16 3h6i s ARG 220 Ca 0.00 -0.33 0.08 0.00 -0.52 0.00 0.00 55.73 54.96 3h6i s ARG 220 Cb 0.00 -3.94 -0.16 0.00 0.52 0.00 0.00 34.95 31.37 3h6i s ARG 220 CO 0.00 -0.99 1.31 0.00 0.02 0.00 0.00 175.30 175.64 3h6i h ALA 221 N 8.84 0.40 -2.44 2.13 0.00 -1.33 -3.45 119.26 123.42 3h6i h ALA 221 Ca -0.25 -0.85 -0.54 0.00 0.00 0.00 0.00 54.91 53.27 3h6i h ALA 221 Cb 1.10 -0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.75 3h6i h ALA 221 CO 0.89 1.16 0.90 0.12 0.00 0.00 0.00 179.25 182.32 3h6i s PHE 222 N -2.76 2.70 -0.06 0.00 5.36 -1.26 -0.32 117.98 121.64 3h6i s PHE 222 Ca 0.01 0.59 -0.02 0.00 -0.96 0.00 0.00 56.93 56.55 3h6i s PHE 222 Cb 0.10 -3.82 0.04 0.00 -0.34 0.00 0.00 43.02 39.00 3h6i s PHE 222 CO 0.81 -3.15 0.13 0.50 -1.46 0.00 0.00 175.22 172.04 3h6i s ARG 223 N 2.32 0.05 0.02 10.12 3.52 -0.29 -4.96 118.95 129.73 3h6i s ARG 223 Ca 0.69 0.37 -0.21 0.00 -0.13 0.00 0.00 55.73 56.46 3h6i s ARG 223 Cb -0.36 -0.22 -0.06 0.00 -1.56 0.00 0.00 34.95 32.75 3h6i s ARG 223 CO 0.30 -0.20 0.60 1.03 -0.81 0.00 0.00 175.30 176.22 3h6i s ARG 224 N 1.39 4.30 -0.42 5.12 0.52 -1.26 -1.09 118.95 127.51 3h6i s ARG 224 Ca -0.06 0.76 -0.06 0.00 -0.52 0.00 0.00 55.73 55.85 3h6i s ARG 224 Cb -0.12 -3.31 0.10 0.00 0.52 0.00 0.00 34.95 32.14 3h6i s ARG 224 CO -0.05 0.44 0.24 0.42 0.02 0.00 0.00 175.30 176.37 3h6i s ILE 225 N -0.45 3.70 0.42 1.52 1.01 -0.82 -4.98 121.20 121.61 3h6i s ILE 225 Ca 0.31 -1.81 0.04 0.00 0.00 0.00 0.00 60.65 59.19 3h6i s ILE 225 Cb -0.19 -3.42 -0.05 0.00 0.01 0.00 0.00 42.46 38.81 3h6i s ILE 225 CO 0.18 -0.64 0.03 0.42 0.00 0.00 0.00 174.94 174.94 3h6i s THR 226 N 1.26 1.40 0.00 2.92 -4.23 -1.26 -4.28 115.64 111.45 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 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 70.98 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 -0.99 2.86 0.30 3.99 0.00 -1.26 -2.83 105.19 107.26 3h6i n GLY 227 Ca -0.09 -0.03 0.06 0.00 0.00 0.00 0.00 46.02 45.96 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 0.16 0.32 0.52 1.61 4.64 -2.00 -2.09 113.55 116.72 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 -0.08 -0.01 0.00 -0.31 0.00 0.00 62.40 62.00 3h6i h SER 228 CO 0.00 0.23 -0.47 0.00 -0.87 0.00 0.00 176.83 175.72 3h6i h ALA 229 N 1.82 1.17 0.17 5.18 0.00 -1.94 -2.77 119.26 122.89 3h6i h ALA 229 Ca 0.11 -0.43 -0.29 0.00 0.00 0.00 0.00 54.91 54.30 3h6i h ALA 229 Cb -0.00 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 17.73 3h6i h ALA 229 CO -0.03 0.58 -1.32 1.25 0.00 0.00 0.00 179.25 179.74 3h6i h LEU 230 N 0.00 0.56 -0.72 0.00 5.85 -1.23 -3.18 115.31 116.59 3h6i h LEU 230 Ca -0.00 -0.60 -0.12 0.00 0.84 0.00 0.00 57.88 57.99 3h6i h LEU 230 Cb 0.85 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 3h6i h LEU 230 CO 0.06 1.47 -0.58 -0.61 -0.34 0.00 0.00 178.44 178.44 3h6i h GLN 231 N 0.10 0.00 -0.37 1.25 4.15 -1.47 -3.00 115.11 115.76 3h6i h GLN 231 Ca -0.17 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.16 3h6i h GLN 231 Cb 2.04 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.71 3h6i h GLN 231 CO 0.23 0.58 -0.12 0.00 -1.93 0.00 0.00 178.83 177.58 3h6i h ALA 232 N 1.42 1.10 -0.26 3.38 0.00 -1.57 -2.04 119.26 121.29 3h6i h ALA 232 Ca -0.01 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3h6i h ALA 232 Cb 1.10 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3h6i h ALA 232 CO 0.08 0.56 0.00 1.28 0.00 0.00 0.00 179.25 181.16 3h6i n LEU 233 N -4.18 1.62 0.00 0.00 4.77 -1.14 -5.12 117.00 112.96 3h6i n LEU 233 Ca 0.01 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 3h6i n LEU 233 Cb 0.35 -0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 3h6i n LEU 233 CO 0.42 0.38 0.01 -0.11 -1.33 0.00 0.00 177.39 176.76