#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x7i s ALA 2 N 0.00 1.94 -0.13 3.17 0.00 -1.26 -5.02 121.76 120.46 1x7i s ALA 2 Ca 0.00 0.48 -0.10 0.00 0.00 0.00 0.00 51.96 52.34 1x7i s ALA 2 Cb 0.00 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1x7i s ALA 2 CO 0.00 -2.15 0.20 -1.17 0.00 0.00 0.00 175.76 172.65 1x7i s LEU 3 N -6.04 4.33 -0.32 0.00 1.98 -0.19 -4.98 118.68 113.46 1x7i s LEU 3 Ca 0.65 0.49 -0.08 0.00 -2.89 0.00 0.00 54.13 52.30 1x7i s LEU 3 Cb -0.21 -2.20 0.01 0.00 0.66 0.00 0.00 46.19 44.45 1x7i s LEU 3 CO 0.55 0.28 0.13 -0.22 -1.89 0.00 0.00 176.35 175.20 1x7i s LEU 4 N -0.42 4.15 -0.14 -0.68 2.96 -1.26 -1.02 118.68 122.25 1x7i s LEU 4 Ca 0.15 -0.78 -0.05 0.00 -0.22 0.00 0.00 54.13 53.23 1x7i s LEU 4 Cb -0.13 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.59 1x7i s LEU 4 CO 0.04 -0.25 0.02 -0.70 -1.32 0.00 0.00 176.35 174.14 1x7i s GLU 5 N 1.52 3.57 -0.11 1.98 2.12 0.73 -1.24 118.70 127.26 1x7i s GLU 5 Ca 0.02 -0.41 0.01 0.00 0.36 0.00 0.00 54.97 54.95 1x7i s GLU 5 Cb -0.18 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1x7i s GLU 5 CO 0.04 0.41 -0.14 0.42 -0.54 0.00 0.00 175.26 175.46 1x7i s ILE 6 N -0.07 3.01 -0.19 -3.70 -1.09 -0.50 -1.10 121.20 117.56 1x7i s ILE 6 Ca 0.04 -0.69 -0.27 0.00 -2.23 0.00 0.00 60.65 57.50 1x7i s ILE 6 Cb -0.13 -2.24 -0.00 0.00 -1.58 0.00 0.00 42.46 38.51 1x7i s ILE 6 CO 0.02 0.54 0.95 0.00 -1.23 0.00 0.00 174.94 175.21 1x7i n TYR 9 N 1.91 0.63 -3.60 0.00 4.02 -1.26 -0.72 117.16 118.15 1x7i n TYR 9 Ca -0.17 -0.91 -0.06 0.00 -0.01 0.00 0.00 57.90 56.76 1x7i n TYR 9 Cb 0.52 -0.26 -0.02 0.00 -0.02 0.00 0.00 39.34 39.57 1x7i n TYR 9 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1x7i s SER 10 N -2.21 -0.27 0.15 7.72 1.04 -1.26 -4.77 113.70 114.11 1x7i s SER 10 Ca 0.38 -0.14 -0.12 0.00 0.48 0.00 0.00 55.95 56.56 1x7i s SER 10 Cb 0.32 0.38 0.03 0.00 0.10 0.00 0.00 66.02 66.84 1x7i s SER 10 CO 0.07 -0.66 1.61 -0.03 0.98 0.00 0.00 173.24 175.22 1x7i h MET 11 N 2.00 0.90 -0.91 4.02 4.05 -1.95 -2.53 114.93 120.50 1x7i h MET 11 Ca -0.22 -0.28 0.01 0.00 -0.28 0.00 0.00 59.70 58.93 1x7i h MET 11 Cb 1.23 -0.09 -0.05 0.00 -0.80 0.00 0.00 31.60 31.90 1x7i h MET 11 CO 0.28 0.92 0.60 0.93 0.23 0.00 0.00 176.91 179.87 1x7i h GLU 12 N 0.77 1.19 -0.27 0.39 5.08 -1.99 -1.16 114.58 118.58 1x7i h GLU 12 Ca 0.15 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1x7i h GLU 12 Cb 0.50 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1x7i h GLU 12 CO 0.02 0.79 0.12 0.00 -1.00 0.00 0.00 179.01 178.95 1x7i h ALA 14 N 0.98 0.84 -0.38 0.00 0.00 -0.98 0.26 119.26 119.98 1x7i h ALA 14 Ca 0.09 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 1x7i h ALA 14 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1x7i h ALA 14 CO -0.01 0.11 0.01 1.25 0.00 0.00 0.00 179.25 180.61 1x7i h LEU 15 N 0.74 0.65 -0.82 0.00 5.85 -1.04 -0.09 115.31 120.61 1x7i h LEU 15 Ca 0.27 -0.30 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1x7i h LEU 15 Cb 0.07 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 40.88 1x7i h LEU 15 CO -0.13 0.79 0.52 0.74 -0.34 0.00 0.00 178.44 180.03 1x7i h THR 16 N 0.49 1.22 -0.45 1.05 2.02 -0.68 0.44 112.91 117.00 1x7i h THR 16 Ca 0.11 -0.43 -0.01 0.00 0.77 0.00 0.00 66.41 66.84 1x7i h THR 16 Cb 0.45 0.04 -0.02 0.00 -1.74 0.00 0.00 68.15 66.88 1x7i h THR 16 CO 0.02 0.22 0.22 0.00 0.37 0.00 0.00 175.52 176.35 1x7i h ALA 17 N 1.28 0.58 -0.59 6.16 0.00 -0.19 -2.16 119.26 124.34 1x7i h ALA 17 Ca 0.30 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.11 1x7i h ALA 17 Cb -0.09 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 1x7i h ALA 17 CO -0.06 0.13 0.39 0.37 0.00 0.00 0.00 179.25 180.08 1x7i h GLN 18 N 0.58 0.77 0.00 0.00 4.15 -0.35 -0.99 115.11 119.28 1x7i h GLN 18 Ca 0.16 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.53 1x7i h GLN 18 Cb 0.10 -0.17 0.00 0.00 0.21 0.00 0.00 27.48 27.62 1x7i h GLN 18 CO -0.02 0.51 0.00 1.04 -1.93 0.00 0.00 178.83 178.43 1x7i n GLN 19 N -4.68 0.17 -0.35 1.69 6.02 0.08 -2.83 117.38 117.48 1x7i n GLN 19 Ca 0.04 0.37 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1x7i n GLN 19 Cb 0.02 -1.80 0.23 0.00 1.02 0.00 0.00 30.24 29.71 1x7i n GLN 19 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1x7i n ASN 20 N -2.11 3.61 0.00 1.08 3.02 -0.83 -4.97 115.26 115.05 1x7i n ASN 20 Ca 0.03 -2.42 0.00 0.00 -0.03 0.00 0.00 54.58 52.15 1x7i n ASN 20 Cb 0.24 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 39.01 1x7i n ASN 20 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1x7i n GLY 21 N 0.31 0.73 3.77 7.41 0.00 -1.12 -2.94 105.19 113.34 1x7i n GLY 21 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 1x7i n GLY 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x7i s ALA 22 N -2.00 3.35 -0.13 4.61 0.00 -0.43 -4.89 121.76 122.27 1x7i s ALA 22 Ca 0.00 1.28 0.17 0.00 0.00 0.00 0.00 51.96 53.41 1x7i s ALA 22 Cb 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.47 1x7i s ALA 22 CO 0.00 -0.81 0.76 -0.25 0.00 0.00 0.00 175.76 175.47 1x7i n ASP 23 N 0.33 0.75 -3.56 0.00 8.00 -0.38 -4.69 116.55 117.01 1x7i n ASP 23 Ca 0.02 0.33 -0.12 0.00 0.71 0.00 0.00 54.79 55.74 1x7i n ASP 23 Cb 0.43 0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.82 1x7i n ASP 23 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1x7i s ARG 24 N -2.95 1.12 -0.02 -1.24 3.52 -1.04 -4.13 118.95 114.21 1x7i s ARG 24 Ca -0.04 -0.54 0.03 0.00 -0.13 0.00 0.00 55.73 55.05 1x7i s ARG 24 Cb 0.09 0.51 0.00 0.00 -1.56 0.00 0.00 34.95 33.98 1x7i s ARG 24 CO 0.82 -0.45 -0.09 0.08 -0.81 0.00 0.00 175.30 174.84 1x7i s VAL 25 N -3.50 0.80 -0.26 7.11 1.01 -0.31 -1.42 120.40 123.83 1x7i s VAL 25 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 61.98 61.50 1x7i s VAL 25 Cb 0.00 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.63 1x7i s VAL 25 CO -0.10 0.25 0.16 -0.70 0.00 0.00 0.00 175.10 174.71 1x7i s GLU 26 N 0.12 3.95 -0.25 2.72 2.12 -0.45 -0.27 118.70 126.64 1x7i s GLU 26 Ca -0.02 -0.32 -0.10 0.00 0.36 0.00 0.00 54.97 54.89 1x7i s GLU 26 Cb -0.08 -3.57 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 1x7i s GLU 26 CO 0.00 -0.09 0.15 -1.17 -0.54 0.00 0.00 175.26 173.62 1x7i s LEU 27 N 1.48 3.98 0.34 2.70 2.96 -0.73 -0.44 118.68 128.97 1x7i s LEU 27 Ca 0.07 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.05 1x7i s LEU 27 Cb -0.15 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.43 1x7i s LEU 27 CO 0.08 0.02 0.20 0.00 -1.32 0.00 0.00 176.35 175.33 1x7i s ALA 29 N -3.44 1.41 -0.65 0.00 0.00 -0.36 -4.12 121.76 114.59 1x7i s ALA 29 Ca 0.34 -1.66 -0.07 0.00 0.00 0.00 0.00 51.96 50.57 1x7i s ALA 29 Cb 0.03 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.90 1x7i s ALA 29 CO 0.21 -0.38 0.66 0.00 0.00 0.00 0.00 175.76 176.24 1x7i n ALA 30 N -0.29 -2.67 0.20 0.00 0.00 -1.26 -0.05 120.51 116.44 1x7i n ALA 30 Ca -0.04 0.31 0.07 0.00 0.00 0.00 0.00 53.44 53.77 1x7i n ALA 30 Cb 0.64 -2.07 0.58 0.00 0.00 0.00 0.00 19.45 18.60 1x7i n ALA 30 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1x7i h PRO 31 N 0.89 0.12 0.00 0.00 0.13 -1.95 -1.19 132.00 130.00 1x7i h PRO 31 Ca -0.12 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.00 1x7i h PRO 31 Cb 1.08 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1x7i h PRO 31 CO 0.28 0.10 0.00 0.87 -0.23 0.00 0.00 178.00 179.02 1x7i h LYS 32 N 0.12 0.00 -0.02 0.86 1.57 -2.01 -1.75 116.57 115.34 1x7i h LYS 32 Ca 0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 1x7i h LYS 32 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1x7i h LYS 32 CO -0.00 0.00 -0.29 0.39 -0.57 0.00 0.00 179.45 178.98 1x7i n GLU 33 N -2.61 1.54 -0.68 3.15 -0.58 -0.50 -4.93 120.64 116.03 1x7i n GLU 33 Ca 0.00 -1.23 0.00 0.00 -0.42 0.00 0.00 57.16 55.51 1x7i n GLU 33 Cb 0.20 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.60 1x7i n GLU 33 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1x7i n GLY 34 N 1.38 0.65 0.00 0.62 0.00 -0.66 -4.51 105.19 102.68 1x7i n GLY 34 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1x7i n GLY 34 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x7i n GLY 35 N -2.68 1.20 3.52 -0.02 0.00 -0.92 -5.01 105.19 101.28 1x7i n GLY 35 Ca 0.00 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 1x7i n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x7i s LEU 36 N 0.00 2.54 0.21 0.99 1.43 0.93 -4.81 118.68 119.98 1x7i s LEU 36 Ca 0.00 -1.33 -0.32 0.00 -1.03 0.00 0.00 54.13 51.45 1x7i s LEU 36 Cb 0.00 -0.67 -0.13 0.00 0.03 0.00 0.00 46.19 45.42 1x7i s LEU 36 CO 0.00 -0.47 1.59 0.41 0.23 0.00 0.00 176.35 178.10 1x7i n THR 37 N -0.79 0.36 -1.98 5.49 -1.04 -0.49 -1.23 114.28 114.61 1x7i n THR 37 Ca -0.04 -0.09 -0.33 0.00 -2.04 0.00 0.00 64.05 61.55 1x7i n THR 37 Cb 0.66 -1.72 0.02 0.00 -1.82 0.00 0.00 70.33 67.47 1x7i n THR 37 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1x7i s PRO 38 N 0.48 3.13 0.83 -2.82 0.02 -1.26 -4.64 135.00 130.73 1x7i s PRO 38 Ca 0.73 1.34 -0.11 0.00 0.02 0.00 0.00 61.00 62.98 1x7i s PRO 38 Cb -0.60 -2.00 0.09 0.00 0.02 0.00 0.00 34.50 32.01 1x7i s PRO 38 CO 0.40 -0.98 1.09 -1.54 -0.33 0.00 0.00 177.00 175.65 1x7i s SER 39 N -2.54 4.09 0.36 2.53 1.04 -1.26 -4.80 113.70 113.11 1x7i s SER 39 Ca 0.66 1.61 0.04 0.00 0.48 0.00 0.00 55.95 58.73 1x7i s SER 39 Cb -0.19 -2.31 0.68 0.00 0.10 0.00 0.00 66.02 64.30 1x7i s SER 39 CO 0.37 -2.27 2.00 0.25 0.98 0.00 0.00 173.24 174.57 1x7i h LEU 40 N -1.29 0.69 -0.75 2.42 5.85 -1.99 -1.26 115.31 118.99 1x7i h LEU 40 Ca -0.47 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.24 1x7i h LEU 40 Cb 1.26 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1x7i h LEU 40 CO 0.54 0.49 0.46 1.23 -0.34 0.00 0.00 178.44 180.81 1x7i h GLY 41 N 0.81 1.08 1.10 3.75 0.00 -1.99 -0.07 103.07 107.75 1x7i h GLY 41 Ca 0.25 -0.44 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1x7i h GLY 41 CO -0.06 0.43 -0.41 -2.08 0.00 0.00 0.00 176.54 174.42 1x7i h VAL 42 N 1.02 1.28 -0.28 4.60 2.07 -1.74 -1.62 116.25 121.58 1x7i h VAL 42 Ca 0.27 -1.58 -0.00 0.00 0.82 0.00 0.00 66.70 66.20 1x7i h VAL 42 Cb -0.05 1.48 -0.01 0.00 -1.52 0.00 0.00 31.29 31.19 1x7i h VAL 42 CO -0.05 0.52 0.17 -0.07 0.02 0.00 0.00 177.57 178.16 1x7i h LEU 43 N 0.68 0.34 -0.77 2.57 3.38 -0.90 -1.02 115.31 119.60 1x7i h LEU 43 Ca 0.05 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1x7i h LEU 43 Cb 1.00 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.64 1x7i h LEU 43 CO 0.10 0.30 0.16 0.11 0.09 0.00 0.00 178.44 179.20 1x7i h LYS 44 N 0.36 1.10 -0.43 1.13 1.57 -1.00 -1.99 116.57 117.31 1x7i h LYS 44 Ca 0.10 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.62 1x7i h LYS 44 Cb 0.02 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1x7i h LYS 44 CO -0.02 0.97 0.26 1.03 -0.57 0.00 0.00 179.45 181.12 1x7i h SER 45 N 1.04 0.51 -0.79 0.86 0.87 -0.99 -2.28 113.55 112.78 1x7i h SER 45 Ca 0.22 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 1x7i h SER 45 Cb 0.37 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.16 1x7i h SER 45 CO 0.00 0.42 0.41 0.58 -0.53 0.00 0.00 176.83 177.71 1x7i h VAL 46 N 0.56 1.24 0.00 2.23 2.07 -0.94 -0.23 116.25 121.19 1x7i h VAL 46 Ca 0.15 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 67.00 1x7i h VAL 46 Cb 0.00 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 29.98 1x7i h VAL 46 CO -0.03 0.28 -0.13 0.03 0.02 0.00 0.00 177.57 177.75 1x7i h ARG 47 N 1.11 0.00 0.05 1.57 2.47 -1.03 0.12 114.38 118.67 1x7i h ARG 47 Ca 0.27 0.00 -0.29 0.00 -1.26 0.00 0.00 59.98 58.71 1x7i h ARG 47 Cb 0.08 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 28.37 1x7i h ARG 47 CO -0.04 0.13 -1.52 1.96 0.56 0.00 0.00 179.97 181.05 1x7i h GLN 48 N 0.00 0.11 0.00 0.04 4.20 -0.82 -3.41 115.11 115.23 1x7i h GLN 48 Ca -0.00 -0.19 -0.00 0.00 0.06 0.00 0.00 58.65 58.51 1x7i h GLN 48 Cb 0.28 0.07 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 1x7i h GLN 48 CO 0.02 0.88 -1.76 0.54 -0.67 0.00 0.00 178.83 177.84 1x7i n ARG 49 N -3.29 0.51 -4.83 1.46 5.12 -0.16 -4.99 116.66 110.48 1x7i n ARG 49 Ca -0.15 -0.15 -0.33 0.00 -1.93 0.00 0.00 57.85 55.30 1x7i n ARG 49 Cb 1.03 -1.39 -0.14 0.00 -1.16 0.00 0.00 32.46 30.79 1x7i n ARG 49 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1x7i s VAL 50 N -3.13 3.00 -0.14 1.55 1.01 0.40 -4.92 120.40 118.16 1x7i s VAL 50 Ca -0.06 -0.70 0.17 0.00 0.00 0.00 0.00 61.98 61.39 1x7i s VAL 50 Cb 0.10 -2.23 -0.24 0.00 0.00 0.00 0.00 36.38 34.01 1x7i s VAL 50 CO 0.68 0.54 0.16 0.35 0.00 0.00 0.00 175.10 176.83 1x7i n THR 51 N 3.22 0.91 -1.19 3.92 -2.24 -1.26 -4.72 114.28 112.92 1x7i n THR 51 Ca -0.18 -0.68 -0.31 0.00 -2.27 0.00 0.00 64.05 60.61 1x7i n THR 51 Cb 0.53 -0.37 0.10 0.00 -2.10 0.00 0.00 70.33 68.49 1x7i n THR 51 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 1x7i s ILE 52 N -2.67 3.13 0.20 2.28 -4.36 -1.26 -4.90 121.20 113.62 1x7i s ILE 52 Ca -0.08 0.37 -0.33 0.00 -0.26 0.00 0.00 60.65 60.35 1x7i s ILE 52 Cb 0.07 -2.80 -0.13 0.00 1.25 0.00 0.00 42.46 40.85 1x7i s ILE 52 CO 0.75 -0.48 1.60 -2.65 0.24 0.00 0.00 174.94 174.40 1x7i n PRO 53 N -3.64 2.38 -4.78 0.37 -0.02 -1.26 -4.87 135.00 123.18 1x7i n PRO 53 Ca 0.09 0.85 -0.28 0.00 -2.02 0.00 0.00 63.50 62.14 1x7i n PRO 53 Cb 0.53 -2.63 -0.17 0.00 -0.02 0.00 0.00 33.50 31.21 1x7i n PRO 53 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1x7i s VAL 54 N 0.74 1.54 -0.35 -1.45 1.01 -1.26 -1.17 120.40 119.47 1x7i s VAL 54 Ca 0.75 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.02 1x7i s VAL 54 Cb -0.60 -1.37 0.09 0.00 0.00 0.00 0.00 36.38 34.49 1x7i s VAL 54 CO 0.39 0.45 0.08 -1.00 0.00 0.00 0.00 175.10 175.01 1x7i s HIS 55 N 0.61 3.55 0.46 5.22 3.76 0.63 -4.05 115.29 125.47 1x7i s HIS 55 Ca -0.14 -2.49 -0.22 0.00 -0.15 0.00 0.00 55.06 52.05 1x7i s HIS 55 Cb -0.16 -2.76 -0.08 0.00 1.11 0.00 0.00 32.58 30.70 1x7i s HIS 55 CO 0.04 -0.92 1.12 -2.14 -0.85 0.00 0.00 174.74 172.00 1x7i s PRO 56 N 1.08 3.78 0.22 8.40 0.02 -1.24 -1.77 135.00 145.48 1x7i s PRO 56 Ca 0.05 1.65 -0.20 0.00 0.02 0.00 0.00 61.00 62.52 1x7i s PRO 56 Cb -0.21 -2.34 -0.08 0.00 0.02 0.00 0.00 34.50 31.89 1x7i s PRO 56 CO -0.05 -0.51 0.73 -1.50 -0.33 0.00 0.00 177.00 175.35 1x7i s ILE 57 N -1.65 4.55 -0.41 2.83 2.07 -0.32 -0.61 121.20 127.67 1x7i s ILE 57 Ca 0.64 1.31 0.02 0.00 -1.41 0.00 0.00 60.65 61.22 1x7i s ILE 57 Cb -0.25 -3.87 0.11 0.00 0.13 0.00 0.00 42.46 38.58 1x7i s ILE 57 CO 0.30 0.21 0.15 -0.63 -1.91 0.00 0.00 174.94 173.06 1x7i s ILE 58 N -1.52 2.63 -0.26 2.00 -1.09 0.13 -3.95 121.20 119.14 1x7i s ILE 58 Ca 0.43 -2.52 -0.02 0.00 -2.23 0.00 0.00 60.65 56.31 1x7i s ILE 58 Cb -0.17 -2.87 0.15 0.00 -1.58 0.00 0.00 42.46 37.99 1x7i s ILE 58 CO 0.21 -0.67 0.44 -0.60 -1.23 0.00 0.00 174.94 173.08 1x7i s ARG 59 N 0.65 0.41 0.40 2.79 3.52 -1.26 -4.60 118.95 120.86 1x7i s ARG 59 Ca 0.12 0.62 0.19 0.00 -0.13 0.00 0.00 55.73 56.53 1x7i s ARG 59 Cb -0.21 -0.20 0.86 0.00 -1.56 0.00 0.00 34.95 33.84 1x7i s ARG 59 CO -0.05 -0.67 1.84 -1.00 -0.81 0.00 0.00 175.30 174.60 1x7i h PRO 60 N 8.13 0.00 -3.52 5.12 0.13 -1.92 -1.30 132.00 138.64 1x7i h PRO 60 Ca -0.19 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.89 1x7i h PRO 60 Cb 1.15 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.18 1x7i h PRO 60 CO 0.27 0.32 -0.09 -0.98 -0.23 0.00 0.00 178.00 177.29 1x7i s ARG 61 N -3.92 1.35 0.31 0.86 1.70 -1.26 -4.90 118.95 113.08 1x7i s ARG 61 Ca -0.01 -1.01 -0.05 0.00 -0.47 0.00 0.00 55.73 54.18 1x7i s ARG 61 Cb 0.13 0.47 0.07 0.00 -0.57 0.00 0.00 34.95 35.05 1x7i s ARG 61 CO 0.68 -0.55 0.42 0.41 -1.08 0.00 0.00 175.30 175.18 1x7i n GLY 62 N -0.31 -1.17 5.41 3.88 0.00 -1.26 -4.91 105.19 106.82 1x7i n GLY 62 Ca -0.08 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.25 1x7i n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1x7i n GLY 63 N 2.24 -0.07 3.62 -0.02 0.00 -1.26 -4.94 105.19 104.76 1x7i n GLY 63 Ca 0.05 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.56 1x7i n GLY 63 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1x7i s ASP 64 N -4.00 1.56 -0.27 1.61 1.47 -1.26 -4.99 116.67 110.80 1x7i s ASP 64 Ca 0.00 0.86 0.10 0.00 1.18 0.00 0.00 52.55 54.69 1x7i s ASP 64 Cb 0.00 -1.28 0.50 0.00 -0.34 0.00 0.00 42.92 41.80 1x7i s ASP 64 CO 0.00 -3.75 1.44 0.49 0.68 0.00 0.00 175.17 174.03 1x7i n PHE 65 N -4.54 1.00 -3.46 2.11 3.01 -1.26 -4.81 117.46 109.50 1x7i n PHE 65 Ca 0.10 -1.47 -0.41 0.00 1.01 0.00 0.00 57.45 56.67 1x7i n PHE 65 Cb 0.59 -0.45 -0.03 0.00 -0.01 0.00 0.00 39.48 39.58 1x7i n PHE 65 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1x7i s TYR 67 N -1.20 3.00 0.85 0.00 1.51 -1.26 -5.07 117.35 115.19 1x7i s TYR 67 Ca 0.28 1.49 -0.13 0.00 -1.01 0.00 0.00 57.07 57.71 1x7i s TYR 67 Cb -0.09 -2.98 0.12 0.00 -0.11 0.00 0.00 41.96 38.90 1x7i s TYR 67 CO -0.10 -1.16 1.22 -1.54 -1.11 0.00 0.00 175.55 172.86 1x7i s SER 68 N -3.04 4.07 0.22 2.29 1.04 -1.26 -4.82 113.70 112.20 1x7i s SER 68 Ca 0.62 0.60 -0.07 0.00 0.48 0.00 0.00 55.95 57.59 1x7i s SER 68 Cb -0.16 -0.95 0.19 0.00 0.10 0.00 0.00 66.02 65.20 1x7i s SER 68 CO 0.42 -2.16 1.76 0.44 0.98 0.00 0.00 173.24 174.67 1x7i h ASP 69 N -1.23 1.03 -0.44 7.02 3.32 -1.98 0.10 116.42 124.25 1x7i h ASP 69 Ca -0.45 -0.20 -0.03 0.00 0.02 0.00 0.00 57.03 56.37 1x7i h ASP 69 Cb 1.30 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 40.56 1x7i h ASP 69 CO 0.57 0.97 0.16 1.23 -1.72 0.00 0.00 179.24 180.45 1x7i h GLY 70 N 1.09 0.71 1.11 2.75 0.00 -2.00 0.08 103.07 106.82 1x7i h GLY 70 Ca 0.23 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.07 1x7i h GLY 70 CO -0.01 0.38 0.02 0.83 0.00 0.00 0.00 176.54 177.76 1x7i h GLU 71 N 0.56 1.07 -0.34 4.80 5.08 -1.87 -2.70 114.58 121.18 1x7i h GLU 71 Ca 0.14 -0.32 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 1x7i h GLU 71 Cb 0.22 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 1x7i h GLU 71 CO -0.01 1.03 -0.12 0.35 -1.00 0.00 0.00 179.01 179.26 1x7i h PHE 72 N 0.98 0.64 -0.62 4.33 3.57 -0.66 -0.49 116.94 124.69 1x7i h PHE 72 Ca 0.18 -0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.58 1x7i h PHE 72 Cb 0.53 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1x7i h PHE 72 CO 0.04 0.69 0.39 0.00 -2.23 0.00 0.00 178.31 177.20 1x7i h ALA 73 N 1.33 0.79 -0.59 2.41 0.00 -0.73 -1.03 119.26 121.44 1x7i h ALA 73 Ca 0.10 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1x7i h ALA 73 Cb 0.53 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1x7i h ALA 73 CO 0.03 0.24 0.13 0.00 0.00 0.00 0.00 179.25 179.65 1x7i h ALA 74 N 1.21 0.78 -0.34 0.00 0.00 -1.12 -2.42 119.26 117.37 1x7i h ALA 74 Ca 0.23 -0.24 0.03 0.00 0.00 0.00 0.00 54.91 54.93 1x7i h ALA 74 Cb -0.06 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.47 1x7i h ALA 74 CO -0.05 0.50 0.14 0.82 0.00 0.00 0.00 179.25 180.66 1x7i h ILE 75 N 0.86 0.93 -0.84 0.00 2.04 -0.51 0.12 117.51 120.11 1x7i h ILE 75 Ca 0.18 -0.10 -0.03 0.00 1.00 0.00 0.00 64.86 65.91 1x7i h ILE 75 Cb 0.37 0.61 -0.04 0.00 -0.74 0.00 0.00 36.82 37.02 1x7i h ILE 75 CO 0.00 0.05 0.40 -0.07 0.00 0.00 0.00 178.15 178.53 1x7i h LEU 76 N 0.29 1.11 -0.70 1.44 3.38 -1.06 0.44 115.31 120.21 1x7i h LEU 76 Ca 0.15 -0.14 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 1x7i h LEU 76 Cb 0.11 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.54 1x7i h LEU 76 CO -0.14 0.94 0.14 -0.08 0.09 0.00 0.00 178.44 179.39 1x7i h GLU 77 N 1.20 1.13 -0.43 1.13 4.57 -0.93 -0.97 114.58 120.27 1x7i h GLU 77 Ca 0.29 -0.29 -0.10 0.00 -1.18 0.00 0.00 59.36 58.08 1x7i h GLU 77 Cb 0.13 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 1x7i h GLU 77 CO -0.03 1.01 -0.13 -0.44 -1.18 0.00 0.00 179.01 178.24 1x7i h ASP 78 N 1.07 0.79 -0.10 1.04 3.32 -0.19 0.19 116.42 122.54 1x7i h ASP 78 Ca 0.22 -0.25 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 1x7i h ASP 78 Cb 0.41 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.74 1x7i h ASP 78 CO 0.01 0.93 0.03 0.58 -1.72 0.00 0.00 179.24 179.08 1x7i h VAL 79 N 0.71 1.16 -0.70 -1.35 2.07 -0.61 0.15 116.25 117.69 1x7i h VAL 79 Ca 0.12 -0.48 0.04 0.00 0.82 0.00 0.00 66.70 67.20 1x7i h VAL 79 Cb 0.62 1.30 -0.05 0.00 -1.52 0.00 0.00 31.29 31.65 1x7i h VAL 79 CO 0.04 0.14 0.42 0.03 0.02 0.00 0.00 177.57 178.22 1x7i h ARG 80 N -0.02 0.78 -0.42 1.57 3.08 -0.98 -1.82 114.38 116.57 1x7i h ARG 80 Ca 0.03 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.01 1x7i h ARG 80 Cb 0.19 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1x7i h ARG 80 CO -0.00 0.52 0.17 1.15 -1.07 0.00 0.00 179.97 180.74 1x7i h THR 81 N 0.81 1.20 -0.51 2.04 2.02 -0.68 -0.30 112.91 117.49 1x7i h THR 81 Ca 0.29 -0.60 -0.03 0.00 0.77 0.00 0.00 66.41 66.84 1x7i h THR 81 Cb 0.08 0.81 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1x7i h THR 81 CO -0.13 0.22 0.19 0.58 0.37 0.00 0.00 175.52 176.75 1x7i h VAL 82 N 0.54 1.19 -0.25 3.16 2.07 -0.67 -0.06 116.25 122.23 1x7i h VAL 82 Ca 0.14 -0.62 -0.05 0.00 0.82 0.00 0.00 66.70 66.99 1x7i h VAL 82 Cb 0.18 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1x7i h VAL 82 CO -0.01 0.24 -0.05 -0.09 0.02 0.00 0.00 177.57 177.68 1x7i h ARG 83 N 0.74 0.48 -0.91 1.57 2.43 -1.05 -2.81 114.38 114.82 1x7i h ARG 83 Ca 0.18 -0.18 0.03 0.00 -0.81 0.00 0.00 59.98 59.19 1x7i h ARG 83 Cb 0.17 -0.03 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1x7i h ARG 83 CO -0.01 0.69 0.59 0.93 -1.51 0.00 0.00 179.97 180.66 1x7i h GLU 84 N 0.23 1.14 0.00 0.20 5.08 -0.46 -2.09 114.58 118.68 1x7i h GLU 84 Ca 0.06 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1x7i h GLU 84 Cb 0.51 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1x7i h GLU 84 CO 0.02 0.76 0.00 1.28 -1.00 0.00 0.00 179.01 180.07 1x7i n LEU 85 N -4.49 0.14 0.00 1.33 4.77 -0.09 -4.90 117.00 113.76 1x7i n LEU 85 Ca 0.11 0.53 0.00 0.00 -0.03 0.00 0.00 56.01 56.62 1x7i n LEU 85 Cb 0.06 -0.51 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 1x7i n LEU 85 CO 0.35 -0.31 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 1x7i n GLY 86 N 0.01 0.84 3.77 -0.72 0.00 -0.79 -5.00 105.19 103.31 1x7i n GLY 86 Ca 0.03 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 1x7i n GLY 86 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x7i s PHE 87 N -2.00 3.02 -0.87 1.61 0.40 -1.07 -4.93 117.98 114.15 1x7i s PHE 87 Ca 0.00 1.57 0.26 0.00 -0.60 0.00 0.00 56.93 58.16 1x7i s PHE 87 Cb 0.00 -3.32 1.01 0.00 0.51 0.00 0.00 43.02 41.22 1x7i s PHE 87 CO 0.00 -1.24 1.81 -0.35 0.70 0.00 0.00 175.22 176.14 1x7i n PRO 88 N -0.23 0.10 -3.91 0.24 -0.04 -1.26 -4.78 135.00 125.12 1x7i n PRO 88 Ca 0.06 0.13 -0.02 0.00 -0.04 0.00 0.00 63.50 63.63 1x7i n PRO 88 Cb 0.48 -1.63 0.02 0.00 -0.04 0.00 0.00 33.50 32.33 1x7i n PRO 88 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1x7i s GLY 89 N -3.24 0.09 0.21 0.55 0.00 -1.26 -1.66 107.32 102.01 1x7i s GLY 89 Ca 0.11 -0.30 -0.16 0.00 0.00 0.00 0.00 44.72 44.38 1x7i s GLY 89 CO 0.51 3.24 0.51 0.48 0.00 0.00 0.00 173.10 177.84 1x7i s LEU 90 N -3.52 0.18 -0.10 0.66 0.05 -0.86 -3.74 118.68 111.36 1x7i s LEU 90 Ca 0.24 -0.63 0.02 0.00 0.05 0.00 0.00 54.13 53.80 1x7i s LEU 90 Cb -0.02 2.03 0.01 0.00 -2.05 0.00 0.00 46.19 46.16 1x7i s LEU 90 CO 0.04 -1.09 -0.15 -0.69 -0.55 0.00 0.00 176.35 173.91 1x7i s VAL 91 N -3.92 1.47 0.14 1.48 1.01 0.22 -0.73 120.40 120.08 1x7i s VAL 91 Ca 0.13 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.41 1x7i s VAL 91 Cb -0.01 -1.34 0.03 0.00 0.00 0.00 0.00 36.38 35.06 1x7i s VAL 91 CO 0.01 0.43 0.35 0.41 0.00 0.00 0.00 175.10 176.31 1x7i n THR 92 N 4.09 0.00 0.00 3.92 -1.04 -0.46 0.22 114.28 121.01 1x7i n THR 92 Ca -0.20 -0.37 0.00 0.00 -2.04 0.00 0.00 64.05 61.44 1x7i n THR 92 Cb 0.51 0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.42 1x7i n THR 92 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1x7i n GLY 93 N -0.24 2.49 2.97 3.41 0.00 -1.26 -1.43 105.19 111.13 1x7i n GLY 93 Ca -0.03 0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1x7i n GLY 93 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 94 N -0.60 0.74 0.23 1.61 1.01 -1.26 -4.88 120.40 117.26 1x7i s VAL 94 Ca 0.00 -0.30 0.09 0.00 0.00 0.00 0.00 61.98 61.77 1x7i s VAL 94 Cb 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.65 1x7i s VAL 94 CO 0.00 0.25 -0.17 -0.76 0.00 0.00 0.00 175.10 174.42 1x7i s LEU 95 N 0.44 2.57 0.70 3.92 1.43 -0.52 -1.67 118.68 125.55 1x7i s LEU 95 Ca -0.07 -1.02 0.01 0.00 -1.03 0.00 0.00 54.13 52.02 1x7i s LEU 95 Cb -0.11 -0.84 0.12 0.00 0.03 0.00 0.00 46.19 45.39 1x7i s LEU 95 CO 0.01 -0.09 0.97 1.51 0.23 0.00 0.00 176.35 178.98 1x7i s ASP 96 N -3.38 4.43 0.59 2.29 1.47 0.17 -3.88 116.67 118.36 1x7i s ASP 96 Ca 0.25 -0.45 0.39 0.00 1.18 0.00 0.00 52.55 53.93 1x7i s ASP 96 Cb -0.02 0.06 2.08 0.00 -0.34 0.00 0.00 42.92 44.70 1x7i s ASP 96 CO 0.10 -1.81 2.20 -0.37 0.68 0.00 0.00 175.17 175.97 1x7i h VAL 97 N -0.44 0.00 -0.64 2.11 -1.51 -1.97 -1.99 116.25 111.81 1x7i h VAL 97 Ca -0.35 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.06 1x7i h VAL 97 Cb 1.27 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.38 1x7i h VAL 97 CO 0.40 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 177.21 1x7i n ASP 98 N -2.91 3.75 0.00 4.19 8.00 -1.26 -4.93 116.55 123.39 1x7i n ASP 98 Ca -0.02 -2.12 0.00 0.00 0.71 0.00 0.00 54.79 53.36 1x7i n ASP 98 Cb 0.09 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.72 1x7i n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1x7i n GLY 99 N 1.41 0.45 3.91 0.44 0.00 -0.75 -4.61 105.19 106.04 1x7i n GLY 99 Ca 0.22 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.41 1x7i n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1x7i s ASN 100 N -2.49 6.46 0.25 1.61 0.01 -1.26 -0.85 114.94 118.67 1x7i s ASN 100 Ca 0.00 0.63 -0.30 0.00 -0.71 0.00 0.00 52.86 52.48 1x7i s ASN 100 Cb 0.00 -2.11 -0.10 0.00 0.41 0.00 0.00 41.25 39.45 1x7i s ASN 100 CO 0.00 -0.09 1.39 -0.69 -1.51 0.00 0.00 177.10 176.20 1x7i s VAL 101 N -1.92 2.77 -0.88 1.60 1.01 -1.26 -0.65 120.40 121.08 1x7i s VAL 101 Ca 0.42 0.67 -0.23 0.00 0.00 0.00 0.00 61.98 62.84 1x7i s VAL 101 Cb -0.11 -3.43 0.07 0.00 0.00 0.00 0.00 36.38 32.91 1x7i s VAL 101 CO 0.28 0.11 1.25 -0.62 0.00 0.00 0.00 175.10 176.13 1x7i s ASP 102 N 0.22 6.40 0.14 3.32 -1.08 -0.67 -4.72 116.67 120.27 1x7i s ASP 102 Ca 0.57 -1.29 -0.18 0.00 -0.52 0.00 0.00 52.55 51.13 1x7i s ASP 102 Cb -0.40 -2.50 -0.02 0.00 -1.46 0.00 0.00 42.92 38.53 1x7i s ASP 102 CO 0.44 -1.47 1.78 0.24 0.52 0.00 0.00 175.17 176.68 1x7i h MET 103 N 9.59 0.33 -0.78 4.34 2.86 -1.90 -0.60 114.93 128.77 1x7i h MET 103 Ca 0.00 -0.02 0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1x7i h MET 103 Cb 1.03 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.57 1x7i h MET 103 CO 1.28 0.22 0.48 -1.35 1.06 0.00 0.00 176.91 178.60 1x7i h PRO 104 N 0.34 0.88 -0.38 -0.22 0.11 -1.99 0.16 132.00 130.89 1x7i h PRO 104 Ca 0.11 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.07 1x7i h PRO 104 Cb -0.00 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 30.90 1x7i h PRO 104 CO -0.05 0.58 -0.14 0.00 -0.21 0.00 0.00 178.00 178.19 1x7i h ARG 105 N 0.91 0.77 -0.35 1.05 3.08 -1.93 -2.38 114.38 115.52 1x7i h ARG 105 Ca 0.33 -0.31 -0.08 0.00 0.07 0.00 0.00 59.98 59.98 1x7i h ARG 105 Cb 0.09 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 1x7i h ARG 105 CO -0.14 0.93 -0.11 0.52 -1.07 0.00 0.00 179.97 180.10 1x7i h MET 106 N 0.57 0.61 -0.82 0.04 2.86 -0.69 -1.42 114.93 116.08 1x7i h MET 106 Ca 0.09 -0.18 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 1x7i h MET 106 Cb 0.67 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 1x7i h MET 106 CO 0.05 0.71 0.37 0.93 1.06 0.00 0.00 176.91 180.02 1x7i h GLU 107 N 0.56 1.19 -0.39 1.72 5.08 -0.55 0.88 114.58 123.07 1x7i h GLU 107 Ca 0.10 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.17 1x7i h GLU 107 Cb 0.52 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 1x7i h GLU 107 CO 0.03 0.94 -0.15 0.87 -1.00 0.00 0.00 179.01 179.70 1x7i h LYS 108 N 1.17 0.72 -0.34 2.33 1.57 -0.99 -0.95 116.57 120.07 1x7i h LYS 108 Ca 0.28 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.76 1x7i h LYS 108 Cb 0.16 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 1x7i h LYS 108 CO -0.03 0.83 0.02 0.82 -0.57 0.00 0.00 179.45 180.53 1x7i h ILE 109 N 0.65 1.25 -0.72 1.86 2.04 -0.55 -2.01 117.51 120.03 1x7i h ILE 109 Ca 0.11 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1x7i h ILE 109 Cb 0.62 1.17 -0.03 0.00 -0.74 0.00 0.00 36.82 37.83 1x7i h ILE 109 CO 0.04 0.30 0.31 0.24 0.00 0.00 0.00 178.15 179.05 1x7i h MET 110 N 0.41 1.05 -0.32 2.37 2.86 -0.57 -0.54 114.93 120.18 1x7i h MET 110 Ca 0.10 -0.16 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 1x7i h MET 110 Cb 0.41 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1x7i h MET 110 CO 0.01 0.83 0.16 0.00 1.06 0.00 0.00 176.91 178.98 1x7i h ALA 111 N 1.31 0.42 -0.07 6.32 0.00 -1.00 -2.68 119.26 123.56 1x7i h ALA 111 Ca 0.24 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1x7i h ALA 111 Cb 0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1x7i h ALA 111 CO -0.03 -0.03 -0.30 0.00 0.00 0.00 0.00 179.25 178.89 1x7i h ALA 112 N 1.02 1.36 0.00 0.00 0.00 -0.99 -2.91 119.26 117.75 1x7i h ALA 112 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 1x7i h ALA 112 Cb 0.10 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1x7i h ALA 112 CO -0.02 0.45 -0.03 0.00 0.00 0.00 0.00 179.25 179.66 1x7i h ALA 113 N 1.58 1.00 -0.99 0.00 0.00 -0.78 -3.39 119.26 116.68 1x7i h ALA 113 Ca 0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1x7i h ALA 113 Cb 0.60 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x7i h ALA 113 CO 0.04 0.03 0.00 0.41 0.00 0.00 0.00 179.25 179.74 1x7i n GLY 114 N 0.19 4.03 0.07 0.00 0.00 -1.08 -1.95 105.19 106.46 1x7i n GLY 114 Ca 0.01 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.22 1x7i n GLY 114 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1x7i n PRO 115 N 14.00 0.62 -1.80 1.61 -0.04 -1.26 -4.93 135.00 143.19 1x7i n PRO 115 Ca 0.00 -0.15 -0.39 0.00 -0.04 0.00 0.00 63.50 62.92 1x7i n PRO 115 Cb 0.00 -1.50 0.03 0.00 -0.04 0.00 0.00 33.50 31.99 1x7i n PRO 115 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1x7i s LEU 116 N -2.49 3.98 -0.44 1.53 1.02 -0.82 -4.93 118.68 116.54 1x7i s LEU 116 Ca 0.29 2.84 -0.28 0.00 0.02 0.00 0.00 54.13 57.00 1x7i s LEU 116 Cb 0.20 -4.10 0.03 0.00 0.02 0.00 0.00 46.19 42.33 1x7i s LEU 116 CO 0.47 -1.37 1.07 0.00 0.02 0.00 0.00 176.35 176.54 1x7i s ALA 117 N -1.26 3.25 -0.18 4.21 0.00 -0.67 -4.90 121.76 122.22 1x7i s ALA 117 Ca 0.66 -0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.00 1x7i s ALA 117 Cb -0.42 -3.77 -0.04 0.00 0.00 0.00 0.00 23.12 18.89 1x7i s ALA 117 CO 0.52 -2.02 0.43 0.08 0.00 0.00 0.00 175.76 174.76 1x7i s VAL 118 N 4.09 5.19 -0.21 0.00 1.01 -1.26 -2.03 120.40 127.19 1x7i s VAL 118 Ca 0.44 0.79 -0.10 0.00 0.00 0.00 0.00 61.98 63.11 1x7i s VAL 118 Cb -0.09 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.48 1x7i s VAL 118 CO 0.27 0.27 0.14 -0.89 0.00 0.00 0.00 175.10 174.89 1x7i s THR 119 N 1.09 5.40 -0.25 3.92 2.01 0.10 -1.08 115.64 126.82 1x7i s THR 119 Ca 0.21 0.20 -0.19 0.00 0.31 0.00 0.00 61.69 62.23 1x7i s THR 119 Cb -0.15 -3.48 -0.02 0.00 0.01 0.00 0.00 72.50 68.86 1x7i s THR 119 CO 0.08 0.42 0.57 0.12 -0.69 0.00 0.00 174.62 175.12 1x7i s PHE 120 N 0.50 3.28 0.00 4.92 5.36 -0.31 -1.36 117.98 130.38 1x7i s PHE 120 Ca 0.08 0.73 0.00 0.00 -0.96 0.00 0.00 56.93 56.79 1x7i s PHE 120 Cb -0.12 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1x7i s PHE 120 CO -0.00 -0.28 0.00 -2.39 -1.46 0.00 0.00 175.22 171.08 1x7i n HIS 121 N 5.54 0.00 0.33 10.12 1.44 -0.51 -1.20 115.22 130.93 1x7i n HIS 121 Ca -0.03 0.00 0.01 0.00 -2.01 0.00 0.00 57.72 55.69 1x7i n HIS 121 Cb 0.49 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.66 1x7i n HIS 121 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 1x7i n ARG 122 N 0.00 0.17 0.26 -1.40 1.74 -1.20 -1.18 116.66 115.05 1x7i n ARG 122 Ca 0.00 0.00 0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1x7i n ARG 122 Cb 0.00 -1.17 0.68 0.00 -1.02 0.00 0.00 32.46 30.95 1x7i n ARG 122 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1x7i h ALA 123 N 1.67 1.60 -0.64 7.54 0.00 -1.89 0.37 119.26 127.92 1x7i h ALA 123 Ca 0.00 -0.09 0.04 0.00 0.00 0.00 0.00 54.91 54.86 1x7i h ALA 123 Cb 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1x7i h ALA 123 CO 0.00 0.12 0.42 0.35 0.00 0.00 0.00 179.25 180.14 1x7i h PHE 124 N 0.00 0.71 0.00 0.00 3.04 -1.43 -0.44 116.94 118.83 1x7i h PHE 124 Ca -0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 1x7i h PHE 124 Cb 0.20 -0.24 0.00 0.00 2.56 0.00 0.00 35.95 38.47 1x7i h PHE 124 CO 0.00 0.41 0.00 -0.25 -2.02 0.00 0.00 178.31 176.45 1x7i n ASP 125 N -4.46 0.00 -0.66 0.41 8.00 0.12 -2.27 116.55 117.68 1x7i n ASP 125 Ca 0.08 0.44 0.07 0.00 0.71 0.00 0.00 54.79 56.10 1x7i n ASP 125 Cb 0.15 -0.48 0.11 0.00 -0.02 0.00 0.00 41.12 40.88 1x7i n ASP 125 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04 1x7i n MET 126 N -1.48 1.60 -2.77 -1.24 2.81 -0.21 -4.69 117.12 111.14 1x7i n MET 126 Ca 0.05 -1.64 -0.25 0.00 -1.81 0.00 0.00 57.70 54.06 1x7i n MET 126 Cb 0.23 -1.30 0.01 0.00 -0.71 0.00 0.00 33.22 31.45 1x7i n MET 126 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1x7i s ALA 128 N -2.70 4.00 -0.49 0.00 0.00 -0.03 -4.75 121.76 117.79 1x7i s ALA 128 Ca 0.49 -0.86 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 1x7i s ALA 128 Cb -0.10 -1.82 0.02 0.00 0.00 0.00 0.00 23.12 21.22 1x7i s ALA 128 CO 0.41 0.80 0.62 0.09 0.00 0.00 0.00 175.76 177.68 1x7i n ASN 129 N 0.20 -7.70 -0.16 0.00 3.02 -1.26 -4.65 115.26 104.71 1x7i n ASN 129 Ca -0.05 0.36 -0.02 0.00 -0.03 0.00 0.00 54.58 54.83 1x7i n ASN 129 Cb 0.51 -5.04 0.07 0.00 -0.61 0.00 0.00 39.78 34.71 1x7i n ASN 129 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 1x7i h PRO 130 N 1.70 0.23 -0.20 3.52 0.11 -1.95 0.02 132.00 135.44 1x7i h PRO 130 Ca -0.05 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.94 1x7i h PRO 130 Cb 1.04 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.09 1x7i h PRO 130 CO 0.22 0.15 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.84 1x7i h LEU 131 N 0.24 0.57 -0.87 2.35 3.38 -1.99 -0.01 115.31 118.98 1x7i h LEU 131 Ca 0.25 -0.50 0.03 0.00 0.09 0.00 0.00 57.88 57.75 1x7i h LEU 131 Cb 0.34 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.88 1x7i h LEU 131 CO -0.33 0.96 0.57 0.22 0.09 0.00 0.00 178.44 179.94 1x7i h TYR 132 N 0.19 1.06 -0.25 1.13 3.20 -1.90 -0.82 116.97 119.58 1x7i h TYR 132 Ca 0.02 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.90 1x7i h TYR 132 Cb 0.82 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.73 1x7i h TYR 132 CO 0.08 0.62 0.09 1.15 -1.64 0.00 0.00 178.16 178.46 1x7i h THR 133 N 1.11 1.19 -0.96 1.81 2.02 -0.82 -1.56 112.91 115.69 1x7i h THR 133 Ca 0.34 -0.58 0.08 0.00 0.77 0.00 0.00 66.41 67.02 1x7i h THR 133 Cb -0.01 1.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 1x7i h THR 133 CO -0.11 0.19 0.61 -0.07 0.37 0.00 0.00 175.52 176.51 1x7i h LEU 134 N 0.25 0.95 -0.56 2.58 3.38 -0.42 0.92 115.31 122.40 1x7i h LEU 134 Ca 0.08 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1x7i h LEU 134 Cb 0.21 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.76 1x7i h LEU 134 CO -0.00 0.58 0.33 0.78 0.09 0.00 0.00 178.44 180.22 1x7i h ASN 135 N 1.07 0.68 -0.57 -0.43 2.35 -0.74 -0.46 115.58 117.47 1x7i h ASN 135 Ca 0.43 -0.07 -0.08 0.00 -0.55 0.00 0.00 56.30 56.04 1x7i h ASN 135 Cb 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1x7i h ASN 135 CO -0.19 0.55 0.08 0.78 -1.65 0.00 0.00 177.43 176.99 1x7i h ASN 136 N 0.75 0.95 -0.21 5.81 2.35 -0.19 -1.06 115.58 123.98 1x7i h ASN 136 Ca 0.20 -0.22 -0.09 0.00 -0.55 0.00 0.00 56.30 55.64 1x7i h ASN 136 Cb -0.00 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1x7i h ASN 136 CO -0.04 0.96 -0.16 -0.07 -1.65 0.00 0.00 177.43 176.47 1x7i h LEU 137 N 0.93 0.62 -0.46 1.61 3.38 -0.45 -1.16 115.31 119.78 1x7i h LEU 137 Ca 0.18 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1x7i h LEU 137 Cb 0.43 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1x7i h LEU 137 CO 0.01 0.80 0.10 0.00 0.09 0.00 0.00 178.44 179.45 1x7i h ALA 138 N 1.26 0.61 -1.00 1.53 0.00 -0.69 -1.06 119.26 119.92 1x7i h ALA 138 Ca 0.09 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 54.85 1x7i h ALA 138 Cb 0.60 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1x7i h ALA 138 CO 0.04 0.31 0.65 1.49 0.00 0.00 0.00 179.25 181.74 1x7i h GLU 139 N 0.62 1.17 0.00 0.00 4.81 -0.69 -1.39 114.58 119.11 1x7i h GLU 139 Ca 0.14 -0.07 -0.04 0.00 -0.13 0.00 0.00 59.36 59.26 1x7i h GLU 139 Cb 0.34 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 1x7i h GLU 139 CO 0.00 0.78 -0.20 -0.07 -0.73 0.00 0.00 179.01 178.79 1x7i h LEU 140 N 1.21 0.00 0.00 1.64 3.38 -0.81 -3.47 115.31 117.26 1x7i h LEU 140 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 1x7i h LEU 140 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1x7i h LEU 140 CO -0.15 0.20 0.00 0.61 0.09 0.00 0.00 178.44 179.19 1x7i n GLY 141 N 0.05 0.87 3.74 0.83 0.00 -0.52 -4.96 105.19 105.19 1x7i n GLY 141 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1x7i n GLY 141 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1x7i s ILE 142 N -2.00 2.20 0.03 -0.61 -1.09 -0.48 -4.76 121.20 114.48 1x7i s ILE 142 Ca 0.00 0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.41 1x7i s ILE 142 Cb 0.00 -3.10 -0.32 0.00 -1.58 0.00 0.00 42.46 37.46 1x7i s ILE 142 CO 0.00 0.02 1.04 0.00 -1.23 0.00 0.00 174.94 174.77 1x7i h ALA 143 N 5.57 -0.07 -2.78 9.38 0.00 -1.44 -3.43 119.26 126.48 1x7i h ALA 143 Ca -0.45 -0.78 -0.05 0.00 0.00 0.00 0.00 54.91 53.63 1x7i h ALA 143 Cb 1.21 0.13 -0.11 0.00 0.00 0.00 0.00 17.79 19.02 1x7i h ALA 143 CO 0.84 0.63 -0.08 -0.98 0.00 0.00 0.00 179.25 179.66 1x7i s ARG 144 N -2.79 1.24 -0.08 0.00 1.70 -1.20 -2.02 118.95 115.81 1x7i s ARG 144 Ca -0.10 -0.90 0.02 0.00 -0.47 0.00 0.00 55.73 54.28 1x7i s ARG 144 Cb 0.04 0.47 0.02 0.00 -0.57 0.00 0.00 34.95 34.91 1x7i s ARG 144 CO 0.92 -0.50 -0.12 0.08 -1.08 0.00 0.00 175.30 174.60 1x7i s VAL 145 N -3.88 1.20 -0.28 4.99 1.01 0.44 -1.16 120.40 122.73 1x7i s VAL 145 Ca 0.09 -0.49 -0.20 0.00 0.00 0.00 0.00 61.98 61.38 1x7i s VAL 145 Cb 0.01 -1.12 -0.01 0.00 0.00 0.00 0.00 36.38 35.26 1x7i s VAL 145 CO -0.05 0.38 0.64 -0.22 0.00 0.00 0.00 175.10 175.85 1x7i s LEU 146 N 0.89 4.10 -0.00 3.92 0.20 -0.34 -0.61 118.68 126.83 1x7i s LEU 146 Ca -0.10 0.58 -0.15 0.00 0.69 0.00 0.00 54.13 55.15 1x7i s LEU 146 Cb -0.15 -2.85 0.02 0.00 -0.43 0.00 0.00 46.19 42.78 1x7i s LEU 146 CO 0.01 -0.43 0.31 0.28 -0.29 0.00 0.00 176.35 176.23 1x7i s THR 147 N 2.57 0.06 -0.70 3.68 -1.32 -0.45 -3.20 115.64 116.28 1x7i s THR 147 Ca 0.26 -0.51 0.15 0.00 -1.21 0.00 0.00 61.69 60.38 1x7i s THR 147 Cb -0.15 -0.67 0.53 0.00 -1.51 0.00 0.00 72.50 70.70 1x7i s THR 147 CO 0.10 -0.28 1.45 -1.54 -2.21 0.00 0.00 174.62 172.14 1x7i n SER 148 N 1.15 3.94 -0.80 8.08 3.41 -1.21 -1.12 113.62 127.05 1x7i n SER 148 Ca -0.21 -2.53 -0.08 0.00 -0.26 0.00 0.00 58.87 55.79 1x7i n SER 148 Cb 0.57 -0.46 -0.02 0.00 -0.26 0.00 0.00 64.21 64.03 1x7i n SER 148 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x7i n GLY 149 N 0.35 0.53 2.39 5.00 0.00 -1.26 -2.78 105.19 109.42 1x7i n GLY 149 Ca 0.20 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.46 1x7i n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1x7i n GLN 150 N -2.29 -1.22 -4.48 1.61 6.02 -1.26 -4.73 117.38 111.03 1x7i n GLN 150 Ca -0.09 0.93 -0.26 0.00 -0.01 0.00 0.00 57.00 57.56 1x7i n GLN 150 Cb 0.43 -5.23 -0.10 0.00 1.02 0.00 0.00 30.24 26.36 1x7i n GLN 150 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1x7i s LYS 151 N -4.13 1.96 0.36 -1.09 -0.14 -1.12 -5.02 119.74 110.56 1x7i s LYS 151 Ca 0.00 -1.95 0.10 0.00 -1.36 0.00 0.00 55.97 52.76 1x7i s LYS 151 Cb 0.00 -1.76 0.85 0.00 -1.68 0.00 0.00 37.83 35.24 1x7i s LYS 151 CO 0.00 0.05 1.85 1.03 -0.76 0.00 0.00 175.35 177.52 1x7i h SER 152 N 1.83 0.63 -5.00 2.83 0.87 -1.95 -3.42 113.55 109.35 1x7i h SER 152 Ca -0.43 0.05 -0.16 0.00 -1.23 0.00 0.00 61.79 60.02 1x7i h SER 152 Cb 1.25 -0.07 -0.20 0.00 -0.44 0.00 0.00 62.40 62.93 1x7i h SER 152 CO 0.73 0.30 -0.64 1.51 -0.53 0.00 0.00 176.83 178.20 1x7i s ASP 153 N -5.70 0.19 0.37 6.23 1.47 -1.26 -4.89 116.67 113.09 1x7i s ASP 153 Ca -0.10 -0.45 0.08 0.00 1.18 0.00 0.00 52.55 53.27 1x7i s ASP 153 Cb 0.23 0.14 0.81 0.00 -0.34 0.00 0.00 42.92 43.75 1x7i s ASP 153 CO 0.79 -0.34 1.93 0.00 0.68 0.00 0.00 175.17 178.22 1x7i h ALA 154 N 4.44 1.81 -0.84 2.11 0.00 -1.14 -2.17 119.26 123.48 1x7i h ALA 154 Ca -0.32 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1x7i h ALA 154 Cb 1.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.80 1x7i h ALA 154 CO 0.42 0.03 0.50 1.25 0.00 0.00 0.00 179.25 181.45 1x7i h LEU 155 N 0.68 1.01 -1.05 0.00 5.85 -1.86 0.43 115.31 120.37 1x7i h LEU 155 Ca 0.36 -0.07 -0.06 0.00 0.84 0.00 0.00 57.88 58.96 1x7i h LEU 155 Cb 0.49 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1x7i h LEU 155 CO -0.14 0.78 0.07 1.56 -0.34 0.00 0.00 178.44 180.38 1x7i h GLN 156 N 1.15 0.75 -0.70 1.25 4.20 -1.73 -2.32 115.11 117.71 1x7i h GLN 156 Ca 0.30 -0.16 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1x7i h GLN 156 Cb -0.04 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.64 1x7i h GLN 156 CO -0.06 0.71 0.00 0.41 -0.67 0.00 0.00 178.83 179.23 1x7i n GLY 157 N -0.81 2.05 0.23 3.46 0.00 -0.44 -4.51 105.19 105.17 1x7i n GLY 157 Ca 0.03 -0.50 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 1x7i n GLY 157 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1x7i h LEU 158 N 2.26 -0.58 -1.30 0.99 5.85 -0.38 0.35 115.31 122.50 1x7i h LEU 158 Ca 0.00 0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 1x7i h LEU 158 Cb 1.18 0.27 -0.04 0.00 0.37 0.00 0.00 40.66 42.43 1x7i h LEU 158 CO 0.22 -0.23 0.49 0.77 -0.34 0.00 0.00 178.44 179.35 1x7i h SER 159 N -0.23 0.79 -0.23 1.25 4.64 -1.83 -0.95 113.55 116.99 1x7i h SER 159 Ca 0.10 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.34 1x7i h SER 159 Cb 0.38 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.28 1x7i h SER 159 CO -0.27 0.55 -0.13 0.50 -0.87 0.00 0.00 176.83 176.61 1x7i h LYS 160 N 0.92 0.50 -0.94 4.77 1.63 -1.71 -2.44 116.57 119.31 1x7i h LYS 160 Ca 0.29 -0.23 0.11 0.00 -0.85 0.00 0.00 60.65 59.98 1x7i h LYS 160 Cb 0.03 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.56 1x7i h LYS 160 CO -0.08 0.78 0.57 0.82 -3.45 0.00 0.00 179.45 178.09 1x7i h ILE 161 N 0.21 0.91 -0.56 2.00 2.04 -0.30 0.19 117.51 122.01 1x7i h ILE 161 Ca 0.05 -0.31 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 1x7i h ILE 161 Cb 0.64 -0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 1x7i h ILE 161 CO 0.04 0.17 0.12 0.24 0.00 0.00 0.00 178.15 178.72 1x7i h MET 162 N 0.91 0.86 -0.24 2.37 2.86 -0.97 -1.07 114.93 119.65 1x7i h MET 162 Ca 0.46 -0.18 -0.11 0.00 -2.06 0.00 0.00 59.70 57.81 1x7i h MET 162 Cb 0.45 -0.12 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 1x7i h MET 162 CO -0.26 0.78 -0.31 0.93 1.06 0.00 0.00 176.91 179.11 1x7i h GLU 163 N 0.83 0.50 -0.40 1.72 5.08 -0.56 -1.67 114.58 120.07 1x7i h GLU 163 Ca 0.18 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 1x7i h GLU 163 Cb 0.32 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.54 1x7i h GLU 163 CO 0.00 0.75 -0.04 -0.07 -1.00 0.00 0.00 179.01 178.65 1x7i h LEU 164 N 0.43 0.73 -1.05 1.33 3.38 -0.47 -1.77 115.31 117.89 1x7i h LEU 164 Ca 0.05 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1x7i h LEU 164 Cb 0.76 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 1x7i h LEU 164 CO 0.06 0.89 0.23 0.40 0.09 0.00 0.00 178.44 180.11 1x7i h ILE 165 N 0.55 1.22 0.00 1.22 2.04 -1.01 -2.42 117.51 119.12 1x7i h ILE 165 Ca 0.11 -0.71 -0.02 0.00 1.00 0.00 0.00 64.86 65.23 1x7i h ILE 165 Cb 0.54 0.50 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 1x7i h ILE 165 CO 0.03 0.28 -0.09 0.00 0.00 0.00 0.00 178.15 178.37 1x7i h ALA 166 N 1.36 0.97 -2.49 1.87 0.00 -1.12 -3.45 119.26 116.41 1x7i h ALA 166 Ca 0.21 -0.09 -0.53 0.00 0.00 0.00 0.00 54.91 54.51 1x7i h ALA 166 Cb 0.19 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.00 1x7i h ALA 166 CO -0.02 0.12 1.09 -1.58 0.00 0.00 0.00 179.25 178.86 1x7i s HIS 167 N -3.43 2.18 -0.01 0.00 5.04 -0.68 -4.59 115.29 113.79 1x7i s HIS 167 Ca 0.03 0.05 -0.00 0.00 -1.54 0.00 0.00 55.06 53.60 1x7i s HIS 167 Cb 0.08 -4.13 -0.00 0.00 0.04 0.00 0.00 32.58 28.57 1x7i s HIS 167 CO 0.63 -4.63 0.04 -2.13 -2.34 0.00 0.00 174.74 166.31 1x7i n ARG 168 N 5.74 0.00 -2.38 2.88 0.63 -1.26 -2.33 116.66 119.93 1x7i n ARG 168 Ca 0.17 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.96 1x7i n ARG 168 Cb 0.39 -0.03 0.01 0.00 0.45 0.00 0.00 32.46 33.28 1x7i n ARG 168 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1x7i n ASP 169 N 0.14 -2.16 -3.26 6.15 2.03 -1.26 -4.97 116.55 113.22 1x7i n ASP 169 Ca 0.01 -0.18 -0.12 0.00 0.52 0.00 0.00 54.79 55.02 1x7i n ASP 169 Cb 0.01 -0.66 0.06 0.00 -0.72 0.00 0.00 41.12 39.81 1x7i n ASP 169 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x7i n ALA 170 N -0.52 0.06 -0.53 -1.67 0.00 -0.99 -5.04 120.51 111.83 1x7i n ALA 170 Ca -0.07 -0.98 -0.28 0.00 0.00 0.00 0.00 53.44 52.11 1x7i n ALA 170 Cb 0.29 0.15 0.25 0.00 0.00 0.00 0.00 19.45 20.14 1x7i n ALA 170 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1x7i s PRO 171 N -3.77 -0.97 0.31 0.00 0.02 -1.26 -4.88 135.00 124.44 1x7i s PRO 171 Ca 0.33 0.85 -0.29 0.00 0.02 0.00 0.00 61.00 61.91 1x7i s PRO 171 Cb -0.02 -1.55 -0.11 0.00 0.02 0.00 0.00 34.50 32.85 1x7i s PRO 171 CO 0.22 -3.76 1.49 0.42 -0.33 0.00 0.00 177.00 175.04 1x7i s ILE 172 N -2.45 2.31 -0.27 2.83 1.01 -0.86 -4.77 121.20 119.00 1x7i s ILE 172 Ca 0.69 0.28 -0.13 0.00 0.00 0.00 0.00 60.65 61.48 1x7i s ILE 172 Cb -0.25 -3.18 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1x7i s ILE 172 CO 0.65 0.05 0.28 -0.63 0.00 0.00 0.00 174.94 175.29 1x7i s ILE 173 N -0.42 5.25 -0.27 2.92 -1.09 -1.26 -0.42 121.20 125.91 1x7i s ILE 173 Ca 0.58 0.38 -0.04 0.00 -2.23 0.00 0.00 60.65 59.34 1x7i s ILE 173 Cb -0.45 -3.61 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 1x7i s ILE 173 CO 0.51 0.22 0.00 -0.32 -1.23 0.00 0.00 174.94 174.12 1x7i s MET 174 N 1.81 2.96 0.21 2.79 -2.45 0.22 -3.97 119.30 120.86 1x7i s MET 174 Ca 0.11 -0.91 -0.30 0.00 -1.25 0.00 0.00 55.69 53.34 1x7i s MET 174 Cb -0.16 -3.15 -0.09 0.00 1.25 0.00 0.00 34.83 32.69 1x7i s MET 174 CO 0.10 -0.41 1.26 0.00 1.05 0.00 0.00 175.02 177.02 1x7i s ALA 175 N 1.40 3.49 -0.00 4.11 0.00 -0.63 -1.34 121.76 128.79 1x7i s ALA 175 Ca 0.01 1.06 -0.20 0.00 0.00 0.00 0.00 51.96 52.83 1x7i s ALA 175 Cb -0.17 -3.45 0.04 0.00 0.00 0.00 0.00 23.12 19.54 1x7i s ALA 175 CO -0.01 -0.47 0.44 0.20 0.00 0.00 0.00 175.76 175.91 1x7i s GLY 176 N 0.15 -0.30 0.00 0.00 0.00 -0.28 -0.73 107.32 106.15 1x7i s GLY 176 Ca 0.54 0.57 0.00 0.00 0.00 0.00 0.00 44.72 45.83 1x7i s GLY 176 CO 0.39 0.31 0.00 0.00 0.00 0.00 0.00 173.10 173.80 1x7i n ALA 177 N 0.93 0.00 -1.01 3.20 0.00 -1.26 -3.33 120.51 119.04 1x7i n ALA 177 Ca -0.20 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.24 1x7i n ALA 177 Cb 0.57 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.02 1x7i n ALA 177 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x7i n GLY 178 N 0.69 0.47 3.68 0.00 0.00 -1.26 -0.89 105.19 107.88 1x7i n GLY 178 Ca 0.00 -0.20 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 1x7i n GLY 178 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 179 N -1.95 4.58 0.32 1.61 1.01 -1.26 -4.92 120.40 119.79 1x7i s VAL 179 Ca 0.00 1.87 -0.06 0.00 0.00 0.00 0.00 61.98 63.79 1x7i s VAL 179 Cb 0.00 -4.20 0.00 0.00 0.00 0.00 0.00 36.38 32.18 1x7i s VAL 179 CO 0.00 -0.01 0.49 0.00 0.00 0.00 0.00 175.10 175.58 1x7i s ARG 180 N 2.20 1.82 0.29 2.72 1.70 -1.26 -4.46 118.95 121.95 1x7i s ARG 180 Ca 0.51 -1.59 0.03 0.00 -0.47 0.00 0.00 55.73 54.20 1x7i s ARG 180 Cb -0.20 0.46 0.65 0.00 -0.57 0.00 0.00 34.95 35.28 1x7i s ARG 180 CO 0.18 -0.76 1.78 0.00 -1.08 0.00 0.00 175.30 175.42 1x7i h ALA 181 N 2.16 1.53 -0.80 7.88 0.00 -1.94 -0.68 119.26 127.40 1x7i h ALA 181 Ca -0.28 0.07 0.05 0.00 0.00 0.00 0.00 54.91 54.75 1x7i h ALA 181 Cb 1.24 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.90 1x7i h ALA 181 CO 0.39 -0.02 0.49 0.93 0.00 0.00 0.00 179.25 181.04 1x7i h GLU 182 N 0.76 0.89 -0.20 0.00 3.07 -1.97 -3.20 114.58 113.93 1x7i h GLU 182 Ca 0.53 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.34 1x7i h GLU 182 Cb 0.76 -0.20 0.00 0.00 -0.84 0.00 0.00 28.75 28.47 1x7i h GLU 182 CO -0.36 0.59 0.00 0.27 -1.40 0.00 0.00 179.01 178.11 1x7i n ASN 183 N -4.65 2.52 -0.32 1.42 0.23 -0.94 -4.69 115.26 108.83 1x7i n ASN 183 Ca 0.11 -1.75 0.11 0.00 -0.53 0.00 0.00 54.58 52.52 1x7i n ASN 183 Cb 0.15 -0.13 0.33 0.00 -2.08 0.00 0.00 39.78 38.06 1x7i n ASN 183 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1x7i h LEU 184 N 2.32 0.76 -1.58 -4.53 6.46 -1.13 -1.96 115.31 115.65 1x7i h LEU 184 Ca 0.00 0.06 0.08 0.00 -0.12 0.00 0.00 57.88 57.90 1x7i h LEU 184 Cb 0.63 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.44 1x7i h LEU 184 CO 0.00 0.35 0.40 1.12 -0.62 0.00 0.00 178.44 179.69 1x7i h HIS 185 N 0.78 0.51 -0.56 1.25 2.07 -1.83 -1.97 115.15 115.40 1x7i h HIS 185 Ca 0.50 0.01 0.05 0.00 -2.85 0.00 0.00 60.37 58.09 1x7i h HIS 185 Cb 0.74 -0.17 -0.05 0.00 2.57 0.00 0.00 27.41 30.51 1x7i h HIS 185 CO -0.00 0.26 0.28 0.45 -3.07 0.00 0.00 177.93 175.84 1x7i h HIS 186 N 0.50 0.50 -0.21 6.12 3.86 -1.71 0.33 115.15 124.53 1x7i h HIS 186 Ca 0.27 0.02 -0.20 0.00 -1.16 0.00 0.00 60.37 59.30 1x7i h HIS 186 Cb 0.40 -0.14 0.01 0.00 1.06 0.00 0.00 27.41 28.74 1x7i h HIS 186 CO -0.00 0.23 -0.67 0.74 0.86 0.00 0.00 177.93 179.09 1x7i h PHE 187 N 0.52 1.07 -0.54 2.45 -1.00 -1.50 -2.33 116.94 115.62 1x7i h PHE 187 Ca 0.25 -0.43 -0.05 0.00 2.81 0.00 0.00 57.97 60.55 1x7i h PHE 187 Cb 0.18 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.54 1x7i h PHE 187 CO -0.11 1.27 0.15 -0.07 -1.61 0.00 0.00 178.31 177.93 1x7i h LEU 188 N 0.57 0.80 -1.43 1.54 3.38 -1.13 -1.41 115.31 117.63 1x7i h LEU 188 Ca -0.02 -0.22 -0.06 0.00 0.09 0.00 0.00 57.88 57.67 1x7i h LEU 188 Cb 1.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1x7i h LEU 188 CO 0.14 0.81 -0.27 0.44 0.09 0.00 0.00 178.44 179.65 1x7i h ASP 189 N 0.75 0.00 0.35 -0.43 3.32 -0.94 -2.21 116.42 117.26 1x7i h ASP 189 Ca 0.17 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.22 1x7i h ASP 189 Cb 0.31 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.86 1x7i h ASP 189 CO -0.00 0.27 0.00 0.00 -1.72 0.00 0.00 179.24 177.79 1x7i n ALA 190 N -2.36 2.53 -0.54 3.45 0.00 -0.87 -4.89 120.51 117.83 1x7i n ALA 190 Ca -0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1x7i n ALA 190 Cb 0.36 -1.49 0.00 0.00 0.00 0.00 0.00 19.45 18.32 1x7i n ALA 190 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x7i n GLY 191 N 1.12 0.73 3.69 0.00 0.00 -0.83 -4.92 105.19 104.97 1x7i n GLY 191 Ca 0.17 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 1x7i n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x7i s VAL 192 N -2.00 3.14 -0.38 1.61 1.01 -0.59 -4.90 120.40 118.29 1x7i s VAL 192 Ca 0.00 0.62 0.23 0.00 0.00 0.00 0.00 61.98 62.83 1x7i s VAL 192 Cb 0.00 -3.40 0.05 0.00 0.00 0.00 0.00 36.38 33.03 1x7i s VAL 192 CO 0.00 0.00 1.18 -0.07 0.00 0.00 0.00 175.10 176.21 1x7i h LEU 193 N 8.29 0.00 -7.58 3.92 3.38 -1.89 -3.42 115.31 118.01 1x7i h LEU 193 Ca -0.42 -0.07 -0.22 0.00 0.09 0.00 0.00 57.88 57.27 1x7i h LEU 193 Cb 1.20 0.00 -0.29 0.00 0.09 0.00 0.00 40.66 41.66 1x7i h LEU 193 CO 0.92 0.03 -0.61 -1.61 0.09 0.00 0.00 178.44 177.26 1x7i s GLU 194 N -3.29 0.10 0.05 1.13 2.02 -1.25 -1.02 118.70 116.44 1x7i s GLU 194 Ca 0.02 0.20 0.07 0.00 0.02 0.00 0.00 54.97 55.27 1x7i s GLU 194 Cb 0.10 -0.02 -0.03 0.00 0.10 0.00 0.00 34.13 34.29 1x7i s GLU 194 CO 0.76 -0.06 -0.18 0.14 0.02 0.00 0.00 175.26 175.93 1x7i s VAL 195 N 0.39 1.48 -0.13 2.63 -7.23 -0.19 -1.61 120.40 115.73 1x7i s VAL 195 Ca -0.03 -1.17 0.03 0.00 -1.81 0.00 0.00 61.98 58.99 1x7i s VAL 195 Cb -0.04 -1.31 0.01 0.00 0.56 0.00 0.00 36.38 35.60 1x7i s VAL 195 CO -0.02 0.10 -0.21 -2.28 -0.31 0.00 0.00 175.10 172.38 1x7i s HIS 196 N -0.87 2.55 0.04 2.82 2.46 0.09 -0.20 115.29 122.19 1x7i s HIS 196 Ca 0.05 -1.25 0.02 0.00 0.47 0.00 0.00 55.06 54.36 1x7i s HIS 196 Cb -0.09 -1.74 -0.02 0.00 -0.13 0.00 0.00 32.58 30.60 1x7i s HIS 196 CO 0.02 -0.57 -0.08 0.45 -2.47 0.00 0.00 174.74 172.09 1x7i s SER 197 N 0.78 0.92 0.09 9.88 0.15 -0.26 -4.31 113.70 120.95 1x7i s SER 197 Ca -0.08 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.08 1x7i s SER 197 Cb -0.16 0.01 -0.25 0.00 -1.71 0.00 0.00 66.02 63.91 1x7i s SER 197 CO -0.01 -0.15 1.16 0.28 1.20 0.00 0.00 173.24 175.73 1x7i h SER 198 N 4.69 0.25 -6.72 5.45 0.02 -1.86 -1.40 113.55 113.97 1x7i h SER 198 Ca -0.35 -0.27 -0.55 0.00 -0.84 0.00 0.00 61.79 59.78 1x7i h SER 198 Cb 1.20 -0.08 -0.22 0.00 0.14 0.00 0.00 62.40 63.44 1x7i h SER 198 CO 0.42 1.22 -0.82 0.00 -1.14 0.00 0.00 176.83 176.50 1x7i n ALA 199 N -2.47 -1.23 -1.89 3.77 0.00 -1.26 -4.57 120.51 112.85 1x7i n ALA 199 Ca -0.06 -0.01 -0.31 0.00 0.00 0.00 0.00 53.44 53.06 1x7i n ALA 199 Cb 0.99 -3.44 0.01 0.00 0.00 0.00 0.00 19.45 17.01 1x7i n ALA 199 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1x7i s GLY 200 N -3.25 1.66 0.24 0.00 0.00 -1.26 -0.00 107.32 104.71 1x7i s GLY 200 Ca 0.74 -0.11 -0.22 0.00 0.00 0.00 0.00 44.72 45.14 1x7i s GLY 200 CO 0.91 0.15 0.69 0.00 0.00 0.00 0.00 173.10 174.86 1x7i s ALA 201 N -3.14 -1.35 -0.03 3.20 0.00 -0.13 -4.67 121.76 115.64 1x7i s ALA 201 Ca 0.55 -0.04 0.07 0.00 0.00 0.00 0.00 51.96 52.54 1x7i s ALA 201 Cb -0.11 0.85 -0.02 0.00 0.00 0.00 0.00 23.12 23.84 1x7i s ALA 201 CO 0.53 -0.95 -0.25 -1.58 0.00 0.00 0.00 175.76 173.50 1x7i s TRP 202 N -3.84 2.37 -0.11 0.00 0.52 -1.26 -1.18 118.94 115.43 1x7i s TRP 202 Ca 0.08 -0.47 0.03 0.00 0.02 0.00 0.00 56.10 55.76 1x7i s TRP 202 Cb -0.04 -1.52 0.00 0.00 -1.15 0.00 0.00 33.47 30.76 1x7i s TRP 202 CO 0.01 -0.05 -0.23 1.14 0.02 0.00 0.00 176.95 177.83 1x7i s GLN 203 N -0.55 3.02 0.76 4.98 -2.07 -0.64 -4.97 119.66 120.19 1x7i s GLN 203 Ca 0.08 -0.86 -0.15 0.00 -1.82 0.00 0.00 55.36 52.61 1x7i s GLN 203 Cb -0.11 -2.34 0.05 0.00 -1.09 0.00 0.00 33.01 29.53 1x7i s GLN 203 CO -0.00 0.10 1.22 0.00 -1.32 0.00 0.00 175.29 175.30 1x7i s ALA 204 N 0.53 2.01 0.28 2.60 0.00 -1.26 -0.85 121.76 125.07 1x7i s ALA 204 Ca -0.14 0.93 -0.29 0.00 0.00 0.00 0.00 51.96 52.45 1x7i s ALA 204 Cb -0.17 -3.50 -0.10 0.00 0.00 0.00 0.00 23.12 19.35 1x7i s ALA 204 CO 0.05 -2.05 1.10 0.45 0.00 0.00 0.00 175.76 175.30 1x7i s SER 205 N -1.97 7.25 0.00 0.00 0.15 -1.25 -4.73 113.70 113.15 1x7i s SER 205 Ca 0.75 2.26 0.28 0.00 0.70 0.00 0.00 55.95 59.95 1x7i s SER 205 Cb -0.31 -2.63 1.56 0.00 -1.71 0.00 0.00 66.02 62.94 1x7i s SER 205 CO 0.47 -0.15 2.00 -0.81 1.20 0.00 0.00 173.24 175.95 1x7i n PRO 206 N 1.15 0.66 -1.72 5.44 -0.04 -1.26 -4.86 135.00 134.37 1x7i n PRO 206 Ca -0.01 0.01 -0.42 0.00 -0.04 0.00 0.00 63.50 63.04 1x7i n PRO 206 Cb 0.45 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.38 1x7i n PRO 206 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1x7i n MET 207 N -1.14 2.67 -0.04 0.54 2.81 -1.26 -4.89 117.12 115.81 1x7i n MET 207 Ca 0.17 0.96 -0.01 0.00 -1.81 0.00 0.00 57.70 57.02 1x7i n MET 207 Cb 0.16 -2.78 -0.12 0.00 -0.71 0.00 0.00 33.22 29.77 1x7i n MET 207 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1x7i n ARG 208 N 3.31 1.08 -4.81 0.03 1.74 -1.26 -4.96 116.66 111.79 1x7i n ARG 208 Ca 0.14 -0.07 -0.33 0.00 -0.77 0.00 0.00 57.85 56.82 1x7i n ARG 208 Cb 0.35 -1.39 -0.13 0.00 -1.02 0.00 0.00 32.46 30.27 1x7i n ARG 208 CO 0.00 0.00 0.00 -0.47 -1.52 0.00 0.00 177.63 175.64 1x7i s TYR 209 N -2.70 2.78 -0.01 -1.55 5.04 -1.26 -5.12 117.35 114.52 1x7i s TYR 209 Ca -0.07 -0.17 -0.11 0.00 -2.44 0.00 0.00 57.07 54.28 1x7i s TYR 209 Cb 0.07 -1.68 0.01 0.00 0.35 0.00 0.00 41.96 40.72 1x7i s TYR 209 CO 0.64 0.17 0.23 1.03 -1.34 0.00 0.00 175.55 176.29 1x7i s ARG 210 N -0.61 0.58 0.01 4.97 0.52 -1.26 -5.20 118.95 117.96 1x7i s ARG 210 Ca 0.09 -0.27 0.22 0.00 -0.52 0.00 0.00 55.73 55.25 1x7i s ARG 210 Cb -0.11 0.25 -0.20 0.00 0.52 0.00 0.00 34.95 35.41 1x7i s ARG 210 CO 0.01 -0.15 0.75 0.09 0.02 0.00 0.00 175.30 176.03 1x7i n ASN 211 N 1.39 0.46 0.00 0.23 4.13 -1.26 -5.30 115.26 114.91 1x7i n ASN 211 Ca -0.22 -0.29 0.00 0.00 1.68 0.00 0.00 54.58 55.75 1x7i n ASN 211 Cb 0.56 1.36 0.00 0.00 -1.54 0.00 0.00 39.78 40.16 1x7i n ASN 211 CO 0.00 0.00 0.00 1.21 0.28 0.00 0.00 177.26 178.75 1x7i n GLU 224 N -2.01 0.00 -0.04 3.52 2.13 -1.26 -5.33 120.64 117.65 1x7i n GLU 224 Ca -0.00 0.00 0.12 0.00 0.66 0.00 0.00 57.16 57.94 1x7i n GLU 224 Cb 0.47 0.00 0.38 0.00 0.27 0.00 0.00 31.44 32.57 1x7i n GLU 224 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 1x7i n TYR 225 N 0.00 0.10 -2.12 4.31 0.53 -1.26 -4.92 117.16 113.81 1x7i n TYR 225 Ca 0.00 -0.05 -0.41 0.00 -1.02 0.00 0.00 57.90 56.42 1x7i n TYR 225 Cb 0.00 0.00 -0.03 0.00 -1.03 0.00 0.00 39.34 38.28 1x7i n TYR 225 CO 0.00 0.00 0.00 -1.12 -1.02 0.00 0.00 176.86 174.72 1x7i s SER 226 N -1.83 6.78 -0.08 7.72 0.01 -1.26 -3.89 113.70 121.14 1x7i s SER 226 Ca 0.35 2.55 -0.16 0.00 1.31 0.00 0.00 55.95 60.00 1x7i s SER 226 Cb 0.20 -2.62 -0.05 0.00 0.21 0.00 0.00 66.02 63.76 1x7i s SER 226 CO 0.31 -0.60 0.41 -0.13 0.41 0.00 0.00 173.24 173.64 1x7i s ARG 227 N -0.42 4.14 -0.39 12.44 3.00 -0.03 -4.91 118.95 132.78 1x7i s ARG 227 Ca 0.57 0.37 -0.25 0.00 0.00 0.00 0.00 55.73 56.42 1x7i s ARG 227 Cb -0.39 -3.34 0.02 0.00 0.00 0.00 0.00 34.95 31.23 1x7i s ARG 227 CO 0.42 0.40 0.87 -0.47 0.00 0.00 0.00 175.30 176.52 1x7i s TYR 228 N -0.14 3.05 0.48 -0.53 6.14 -1.26 -1.63 117.35 123.47 1x7i s TYR 228 Ca 0.23 0.58 0.02 0.00 0.64 0.00 0.00 57.07 58.53 1x7i s TYR 228 Cb -0.15 -3.63 -0.01 0.00 0.42 0.00 0.00 41.96 38.59 1x7i s TYR 228 CO 0.10 -0.86 0.06 0.44 0.64 0.00 0.00 175.55 175.93 1x7i n ILE 229 N 6.02 0.00 -3.82 3.14 -5.35 -0.32 -4.94 119.36 114.08 1x7i n ILE 229 Ca 0.05 -2.48 -0.29 0.00 -0.27 0.00 0.00 62.75 59.76 1x7i n ILE 229 Cb 0.48 0.66 -0.04 0.00 -1.74 0.00 0.00 39.64 39.01 1x7i n ILE 229 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1x7i s VAL 230 N -3.00 5.29 -0.48 7.28 0.11 -1.26 -0.96 120.40 127.37 1x7i s VAL 230 Ca 0.09 -0.38 -0.09 0.00 -2.93 0.00 0.00 61.98 58.67 1x7i s VAL 230 Cb 0.00 -3.68 0.12 0.00 -1.53 0.00 0.00 36.38 31.29 1x7i s VAL 230 CO 0.06 -0.02 0.35 -0.62 -3.33 0.00 0.00 175.10 171.55 1x7i s ASP 231 N -2.85 5.70 0.27 3.54 2.15 1.00 -4.77 116.67 121.71 1x7i s ASP 231 Ca 0.37 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 51.40 1x7i s ASP 231 Cb -0.12 -2.01 0.57 0.00 -0.30 0.00 0.00 42.92 41.07 1x7i s ASP 231 CO 0.28 -0.68 1.78 1.23 -0.17 0.00 0.00 175.17 177.61 1x7i h GLY 232 N 8.40 1.52 1.05 2.66 0.00 -1.90 -0.95 103.07 113.85 1x7i h GLY 232 Ca -0.20 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.80 1x7i h GLY 232 CO 0.85 0.01 0.53 0.00 0.00 0.00 0.00 176.54 177.93 1x7i h ALA 233 N 1.57 1.21 -0.66 3.60 0.00 -1.96 -1.23 119.26 121.79 1x7i h ALA 233 Ca 0.49 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.23 1x7i h ALA 233 Cb 0.65 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 1x7i h ALA 233 CO -0.34 0.66 0.18 0.00 0.00 0.00 0.00 179.25 179.75 1x7i h ALA 234 N 1.31 0.86 -0.23 0.00 0.00 -1.57 0.10 119.26 119.74 1x7i h ALA 234 Ca 0.33 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1x7i h ALA 234 Cb -0.02 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1x7i h ALA 234 CO -0.06 0.56 0.13 0.28 0.00 0.00 0.00 179.25 180.16 1x7i h VAL 235 N 0.97 1.11 -0.88 0.00 2.07 -0.86 -1.15 116.25 117.50 1x7i h VAL 235 Ca 0.21 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 1x7i h VAL 235 Cb 0.34 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1x7i h VAL 235 CO -0.00 0.10 0.48 0.00 0.02 0.00 0.00 177.57 178.17 1x7i h ALA 236 N 1.02 1.13 -0.28 1.67 0.00 -0.95 -1.19 119.26 120.66 1x7i h ALA 236 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x7i h ALA 236 Cb 0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1x7i h ALA 236 CO -0.01 0.64 0.13 1.49 0.00 0.00 0.00 179.25 181.50 1x7i h GLU 237 N 1.23 0.41 -0.81 0.00 4.81 -0.43 -0.79 114.58 119.00 1x7i h GLU 237 Ca 0.31 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.44 1x7i h GLU 237 Cb 0.03 -0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.30 1x7i h GLU 237 CO -0.05 0.40 0.36 0.52 -0.73 0.00 0.00 179.01 179.51 1x7i h MET 238 N 0.32 1.19 -0.76 1.92 2.86 -0.96 -1.45 114.93 118.05 1x7i h MET 238 Ca 0.10 -0.19 -0.05 0.00 -2.06 0.00 0.00 59.70 57.50 1x7i h MET 238 Cb 0.13 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.55 1x7i h MET 238 CO -0.01 0.94 0.29 -0.22 1.06 0.00 0.00 176.91 178.96 1x7i h LYS 239 N 1.16 1.13 -0.69 1.72 1.63 -0.97 -1.25 116.57 119.31 1x7i h LYS 239 Ca 0.27 -0.21 -0.06 0.00 -0.85 0.00 0.00 60.65 59.81 1x7i h LYS 239 Cb 0.16 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.58 1x7i h LYS 239 CO -0.03 0.92 0.20 0.78 -3.45 0.00 0.00 179.45 177.88 1x7i h GLY 240 N 1.13 1.15 1.04 5.01 0.00 -0.63 -0.51 103.07 110.26 1x7i h GLY 240 Ca 0.25 -0.67 -0.06 0.00 0.00 0.00 0.00 47.33 46.85 1x7i h GLY 240 CO -0.02 0.63 0.22 -2.22 0.00 0.00 0.00 176.54 175.15 1x7i h ILE 241 N 1.02 1.26 -0.57 2.60 2.04 -0.82 -1.08 117.51 121.95 1x7i h ILE 241 Ca 0.22 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 65.12 1x7i h ILE 241 Cb 0.31 0.50 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1x7i h ILE 241 CO -0.01 0.35 0.07 0.40 0.00 0.00 0.00 178.15 178.96 1x7i h ILE 242 N 1.04 1.26 -0.05 -0.67 2.04 -0.78 -1.12 117.51 119.22 1x7i h ILE 242 Ca 0.23 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 1x7i h ILE 242 Cb 0.30 0.81 -0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1x7i h ILE 242 CO -0.01 0.37 0.01 -0.33 0.00 0.00 0.00 178.15 178.20 1x7i h GLU 243 N 0.85 0.09 -0.67 2.37 5.08 -0.82 -2.14 114.58 119.34 1x7i h GLU 243 Ca 0.17 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1x7i h GLU 243 Cb 0.45 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.66 1x7i h GLU 243 CO 0.02 0.28 0.26 0.00 -1.00 0.00 0.00 179.01 178.56 1x7i h ARG 244 N -0.12 0.98 -0.62 2.33 3.08 -1.16 -1.01 114.38 117.87 1x7i h ARG 244 Ca 0.02 -0.17 -0.05 0.00 0.07 0.00 0.00 59.98 59.85 1x7i h ARG 244 Cb 0.23 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1x7i h ARG 244 CO -0.00 0.81 0.18 1.25 -1.07 0.00 0.00 179.97 181.14 1x7i h HIS 245 N 0.96 0.98 -0.16 3.04 2.76 -1.11 -1.53 115.15 120.09 1x7i h HIS 245 Ca 0.22 -0.09 -0.12 0.00 -2.20 0.00 0.00 60.37 58.19 1x7i h HIS 245 Cb 0.20 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1x7i h HIS 245 CO 0.02 0.79 -0.40 0.37 -1.30 0.00 0.00 177.93 177.40 1x7i h GLN 246 N 0.92 0.37 -0.53 5.26 5.75 -0.79 -2.78 115.11 123.30 1x7i h GLN 246 Ca 0.20 -0.18 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 1x7i h GLN 246 Cb 0.28 -0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.80 1x7i h GLN 246 CO -0.01 0.71 0.08 0.00 -2.65 0.00 0.00 178.83 176.97 1x7i h ALA 247 N 1.27 1.14 -0.51 3.38 0.00 -0.40 -2.04 119.26 122.10 1x7i h ALA 247 Ca 0.03 -0.23 0.13 0.00 0.00 0.00 0.00 54.91 54.83 1x7i h ALA 247 Cb 0.84 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 1x7i h ALA 247 CO 0.07 0.57 0.36 0.87 0.00 0.00 0.00 179.25 181.12 1x7i h LYS 248 N 0.80 0.12 -3.28 0.00 1.79 -1.02 -3.03 116.57 111.96 1x7i h LYS 248 Ca 0.17 -0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 58.12 1x7i h LYS 248 Cb 0.37 -0.03 0.02 0.00 -1.58 0.00 0.00 32.23 31.01 1x7i h LYS 248 CO 0.01 0.08 3.14 1.28 -1.08 0.00 0.00 179.45 182.88 1x7i n LEU 249 N -4.42 6.56 0.00 2.94 4.77 -0.77 -5.13 117.00 120.95 1x7i n LEU 249 Ca 0.09 -3.53 0.00 0.00 -0.03 0.00 0.00 56.01 52.54 1x7i n LEU 249 Cb 0.50 -1.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.29 1x7i n LEU 249 CO 0.36 1.22 0.00 -0.62 -1.33 0.00 0.00 177.39 177.02