#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s7l s ILE 4 N 0.00 1.88 -0.23 6.31 -1.09 -1.26 -1.76 121.20 125.05 1s7l s ILE 4 Ca 0.00 -0.93 -0.04 0.00 -2.23 0.00 0.00 60.65 57.45 1s7l s ILE 4 Cb 0.00 -1.63 -0.01 0.00 -1.58 0.00 0.00 42.46 39.24 1s7l s ILE 4 CO 0.00 0.52 -0.02 -0.63 -1.23 0.00 0.00 174.94 173.58 1s7l s ILE 5 N 0.28 3.52 0.32 2.92 1.01 0.80 -4.97 121.20 125.08 1s7l s ILE 5 Ca -0.15 -0.45 -0.29 0.00 0.00 0.00 0.00 60.65 59.77 1s7l s ILE 5 Cb -0.17 -2.61 -0.10 0.00 0.01 0.00 0.00 42.46 39.59 1s7l s ILE 5 CO 0.07 0.40 1.22 -2.84 0.00 0.00 0.00 174.94 173.79 1s7l s PRO 6 N 1.50 4.44 0.06 2.79 0.02 -1.26 -0.65 135.00 141.90 1s7l s PRO 6 Ca 0.06 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.10 1s7l s PRO 6 Cb -0.14 -3.09 -0.00 0.00 0.02 0.00 0.00 34.50 31.28 1s7l s PRO 6 CO -0.02 -0.04 -0.02 0.28 -0.33 0.00 0.00 177.00 176.86 1s7l n VAL 7 N 0.90 0.93 -4.00 3.83 0.31 -0.83 -4.88 118.33 114.59 1s7l n VAL 7 Ca -0.00 0.28 -0.11 0.00 -0.01 0.00 0.00 64.34 64.50 1s7l n VAL 7 Cb 0.43 -1.60 -0.04 0.00 -0.91 0.00 0.00 33.84 31.72 1s7l n VAL 7 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1s7l s SER 8 N -5.76 0.22 0.60 4.52 1.04 -0.38 -4.94 113.70 109.00 1s7l s SER 8 Ca -0.02 -1.12 0.29 0.00 0.48 0.00 0.00 55.95 55.58 1s7l s SER 8 Cb 0.00 0.65 1.59 0.00 0.10 0.00 0.00 66.02 68.37 1s7l s SER 8 CO 0.03 -1.27 2.01 0.71 0.98 0.00 0.00 173.24 175.70 1s7l h THR 9 N 2.17 0.38 -0.06 2.02 1.35 -2.03 -1.93 112.91 114.81 1s7l h THR 9 Ca -0.27 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 1s7l h THR 9 Cb 1.25 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1s7l h THR 9 CO 0.37 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.99 1s7l n THR 10 N -3.67 0.27 -4.27 6.82 -2.24 -1.26 -4.95 114.28 104.99 1s7l n THR 10 Ca 0.04 -0.64 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1s7l n THR 10 Cb 0.46 0.97 -0.13 0.00 -2.10 0.00 0.00 70.33 69.53 1s7l n THR 10 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1s7l s LEU 11 N -0.68 2.17 0.11 3.22 1.43 -0.72 -0.99 118.68 123.22 1s7l s LEU 11 Ca 0.10 -0.43 -0.18 0.00 -1.03 0.00 0.00 54.13 52.58 1s7l s LEU 11 Cb 0.06 -0.47 0.04 0.00 0.03 0.00 0.00 46.19 45.85 1s7l s LEU 11 CO 0.09 -0.01 0.45 -1.83 0.23 0.00 0.00 176.35 175.28 1s7l s GLU 12 N -1.11 1.08 -0.20 1.70 -1.05 -0.69 -1.24 118.70 117.19 1s7l s GLU 12 Ca -0.01 -0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 54.20 1s7l s GLU 12 Cb -0.08 0.48 -0.02 0.00 -0.44 0.00 0.00 34.13 34.08 1s7l s GLU 12 CO 0.01 -0.43 -0.02 -0.51 0.95 0.00 0.00 175.26 175.26 1s7l s LEU 13 N -2.60 3.11 -0.05 1.83 1.43 0.17 -0.74 118.68 121.83 1s7l s LEU 13 Ca 0.01 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 52.89 1s7l s LEU 13 Cb 0.01 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.42 1s7l s LEU 13 CO -0.10 0.05 -0.19 -0.13 0.23 0.00 0.00 176.35 176.22 1s7l s ARG 14 N 1.08 2.52 0.36 1.70 0.52 -0.57 -0.14 118.95 124.42 1s7l s ARG 14 Ca 0.02 -0.78 -0.28 0.00 -0.52 0.00 0.00 55.73 54.16 1s7l s ARG 14 Cb -0.14 -2.29 -0.10 0.00 0.52 0.00 0.00 34.95 32.93 1s7l s ARG 14 CO 0.01 0.52 1.37 0.00 0.02 0.00 0.00 175.30 177.22 1s7l s ALA 15 N -0.49 3.48 0.17 2.13 0.00 -0.72 -0.01 121.76 126.33 1s7l s ALA 15 Ca 0.06 1.37 -0.34 0.00 0.00 0.00 0.00 51.96 53.06 1s7l s ALA 15 Cb -0.12 -3.53 -0.14 0.00 0.00 0.00 0.00 23.12 19.34 1s7l s ALA 15 CO 0.01 -0.83 1.59 0.00 0.00 0.00 0.00 175.76 176.54 1s7l n ALA 16 N 0.56 1.56 -2.45 0.00 0.00 -0.07 -4.78 120.51 115.32 1s7l n ALA 16 Ca 0.01 0.44 -0.26 0.00 0.00 0.00 0.00 53.44 53.63 1s7l n ALA 16 Cb 0.41 -2.37 -0.11 0.00 0.00 0.00 0.00 19.45 17.38 1s7l n ALA 16 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1s7l s ASP 17 N 0.93 3.57 0.36 0.00 1.11 -1.26 -4.86 116.67 116.53 1s7l s ASP 17 Ca 0.78 -0.86 0.13 0.00 0.18 0.00 0.00 52.55 52.78 1s7l s ASP 17 Cb -0.65 -0.32 0.70 0.00 1.07 0.00 0.00 42.92 43.71 1s7l s ASP 17 CO 0.37 0.10 1.80 -0.33 1.18 0.00 0.00 175.17 178.30 1s7l h GLU 18 N 2.96 0.00 0.00 8.23 5.08 -1.96 -1.85 114.58 127.04 1s7l h GLU 18 Ca -0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.91 1s7l h GLU 18 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 1s7l h GLU 18 CO 0.51 0.40 0.00 0.66 -1.00 0.00 0.00 179.01 179.58 1s7l h SER 19 N 0.00 0.00 1.68 1.42 4.64 -2.00 -2.53 113.55 116.76 1s7l h SER 19 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s7l h SER 19 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1s7l h SER 19 CO 0.05 0.00 -0.02 0.45 -0.87 0.00 0.00 176.83 176.45 1s7l h HIS 20 N 0.00 0.00 -0.54 4.77 3.86 -1.75 -3.40 115.15 118.09 1s7l h HIS 20 Ca 0.00 0.00 0.11 0.00 -1.16 0.00 0.00 60.37 59.32 1s7l h HIS 20 Cb 0.28 0.00 -0.11 0.00 1.06 0.00 0.00 27.41 28.64 1s7l h HIS 20 CO 0.00 0.00 -0.23 0.28 0.86 0.00 0.00 177.93 178.84 1s7l h VAL 21 N 0.00 0.31 0.24 2.45 2.07 -1.54 -1.31 116.25 118.47 1s7l h VAL 21 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 1s7l h VAL 21 Cb 0.85 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1s7l h VAL 21 CO 0.00 0.00 -0.28 -0.65 0.02 0.00 0.00 177.57 176.66 1s7l h PRO 22 N -0.10 -0.55 -0.84 1.57 0.11 -1.82 0.43 132.00 130.79 1s7l h PRO 22 Ca 0.25 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.38 1s7l h PRO 22 Cb 0.49 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.69 1s7l h PRO 22 CO -0.61 -0.37 0.47 0.00 -0.21 0.00 0.00 178.00 177.28 1s7l h ALA 23 N 0.05 1.24 -0.23 -0.75 0.00 -1.80 -2.48 119.26 115.29 1s7l h ALA 23 Ca -0.00 -0.12 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 1s7l h ALA 23 Cb 0.54 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1s7l h ALA 23 CO -0.09 0.62 -0.36 1.25 0.00 0.00 0.00 179.25 180.68 1s7l h LEU 24 N 1.17 0.53 -0.13 0.00 5.85 -1.10 -1.27 115.31 120.36 1s7l h LEU 24 Ca 0.30 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1s7l h LEU 24 Cb 0.02 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1s7l h LEU 24 CO -0.05 0.84 0.07 -0.74 -0.34 0.00 0.00 178.44 178.22 1s7l h HIS 25 N 0.43 0.19 -0.79 1.25 2.76 -0.48 0.14 115.15 118.65 1s7l h HIS 25 Ca 0.04 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.23 1s7l h HIS 25 Cb 0.83 -0.06 -0.04 0.00 1.55 0.00 0.00 27.41 29.68 1s7l h HIS 25 CO 0.03 0.23 0.51 1.96 -1.30 0.00 0.00 177.93 179.36 1s7l h GLN 26 N 0.10 0.98 -0.54 5.26 1.08 -1.29 -0.00 115.11 120.70 1s7l h GLN 26 Ca 0.05 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.15 1s7l h GLN 26 Cb 0.11 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.30 1s7l h GLN 26 CO -0.01 0.65 0.20 1.25 -0.95 0.00 0.00 178.83 179.98 1s7l h LEU 27 N 1.01 0.75 -0.26 1.46 5.85 -0.90 -1.35 115.31 121.87 1s7l h LEU 27 Ca 0.31 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1s7l h LEU 27 Cb -0.04 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 40.78 1s7l h LEU 27 CO -0.09 0.73 0.17 0.58 -0.34 0.00 0.00 178.44 179.49 1s7l h VAL 28 N 0.73 1.07 -0.39 1.05 2.07 -0.15 -2.52 116.25 118.11 1s7l h VAL 28 Ca 0.18 -0.13 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1s7l h VAL 28 Cb 0.22 0.69 -0.06 0.00 -1.52 0.00 0.00 31.29 30.62 1s7l h VAL 28 CO -0.01 0.07 0.04 -0.07 0.02 0.00 0.00 177.57 177.61 1s7l h LEU 29 N 0.36 -0.08 -2.33 2.57 3.38 -0.68 0.13 115.31 118.65 1s7l h LEU 29 Ca 0.10 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.14 1s7l h LEU 29 Cb -0.04 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.84 1s7l h LEU 29 CO -0.02 -0.00 -0.02 0.50 0.09 0.00 0.00 178.44 178.99 1s7l h LYS 30 N 0.15 0.00 -0.00 1.13 3.64 -1.08 -3.24 116.57 117.17 1s7l h LYS 30 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1s7l h LYS 30 Cb 0.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.07 1s7l h LYS 30 CO -0.28 0.02 -0.14 0.09 -2.27 0.00 0.00 179.45 176.86 1s7l n ASN 31 N -3.96 0.30 -0.05 4.20 3.02 -0.75 -4.73 115.26 113.29 1s7l n ASN 31 Ca -0.03 -0.65 0.14 0.00 -0.03 0.00 0.00 54.58 54.01 1s7l n ASN 31 Cb 0.10 0.88 0.55 0.00 -0.61 0.00 0.00 39.78 40.70 1s7l n ASN 31 CO 0.00 0.00 0.00 0.07 -2.62 0.00 0.00 177.26 174.71 1s7l h LYS 32 N 0.09 0.28 -0.23 3.52 2.10 -0.80 0.23 116.57 121.76 1s7l h LYS 32 Ca 0.00 -0.02 0.04 0.00 -2.00 0.00 0.00 60.65 58.67 1s7l h LYS 32 Cb 0.09 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 31.32 1s7l h LYS 32 CO 0.00 0.19 0.01 0.00 -2.00 0.00 0.00 179.45 177.64 1s7l h ALA 33 N 1.72 0.21 0.00 0.07 0.00 -1.85 -2.07 119.26 117.34 1s7l h ALA 33 Ca 0.26 0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 1s7l h ALA 33 Cb 0.63 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1s7l h ALA 33 CO -0.06 -0.42 -1.03 0.11 0.00 0.00 0.00 179.25 177.85 1s7l h TRP 34 N 0.08 0.00 -0.41 0.00 5.08 -1.73 -3.31 115.95 115.67 1s7l h TRP 34 Ca 0.11 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 60.06 1s7l h TRP 34 Cb 0.14 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.27 1s7l h TRP 34 CO -0.18 0.61 0.18 -0.07 -1.28 0.00 0.00 178.44 177.69 1s7l h LEU 35 N 0.00 0.51 -2.32 0.11 3.38 -0.75 -2.61 115.31 113.63 1s7l h LEU 35 Ca -0.09 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.85 1s7l h LEU 35 Cb 1.54 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 42.16 1s7l h LEU 35 CO 0.06 0.45 0.22 1.56 0.09 0.00 0.00 178.44 180.83 1s7l h GLN 36 N 0.57 0.00 0.00 1.13 4.20 -1.47 -0.95 115.11 118.60 1s7l h GLN 36 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1s7l h GLN 36 Cb 0.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.87 1s7l h GLN 36 CO -0.02 0.00 0.00 -0.56 -0.67 0.00 0.00 178.83 177.58 1s7l h GLN 37 N 0.00 0.00 0.00 1.46 3.07 -1.68 -3.34 115.11 114.63 1s7l h GLN 37 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.77 1s7l h GLN 37 Cb 0.47 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.03 1s7l h GLN 37 CO -0.00 0.00 0.00 -1.13 0.09 0.00 0.00 178.83 177.79 1s7l n SER 38 N -2.81 0.29 -4.35 0.06 3.41 -0.57 -4.82 113.62 104.83 1s7l n SER 38 Ca 0.03 -0.63 -0.26 0.00 -0.26 0.00 0.00 58.87 57.74 1s7l n SER 38 Cb 0.39 0.33 -0.12 0.00 -0.26 0.00 0.00 64.21 64.54 1s7l n SER 38 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1s7l s LEU 39 N -0.66 2.34 -0.20 1.04 1.43 -0.47 -4.87 118.68 117.29 1s7l s LEU 39 Ca 0.00 -0.75 0.01 0.00 -1.03 0.00 0.00 54.13 52.36 1s7l s LEU 39 Cb 0.00 -1.05 -0.21 0.00 0.03 0.00 0.00 46.19 44.96 1s7l s LEU 39 CO 0.00 0.11 0.03 -0.67 0.23 0.00 0.00 176.35 176.05 1s7l n ASP 40 N 0.85 1.78 0.31 2.29 -0.08 -1.26 -4.38 116.55 116.05 1s7l n ASP 40 Ca -0.17 0.01 0.20 0.00 -1.51 0.00 0.00 54.79 53.32 1s7l n ASP 40 Cb 0.54 -0.40 0.97 0.00 2.34 0.00 0.00 41.12 44.57 1s7l n ASP 40 CO 0.00 0.00 0.00 4.11 0.12 0.00 0.00 177.20 181.43 1s7l h TRP 41 N 0.02 0.00 0.00 -0.67 5.08 -1.97 -3.23 115.95 115.18 1s7l h TRP 41 Ca -0.51 0.00 -0.02 0.00 1.08 0.00 0.00 58.89 59.44 1s7l h TRP 41 Cb 1.98 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 28.14 1s7l h TRP 41 CO 0.04 0.00 -0.08 -1.35 -1.28 0.00 0.00 178.44 175.77 1s7l h PRO 42 N 0.00 0.00 0.00 0.12 0.11 -1.93 -2.30 132.00 127.99 1s7l h PRO 42 Ca 0.00 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 66.11 1s7l h PRO 42 Cb 0.24 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 1s7l h PRO 42 CO 0.00 0.08 -0.01 -0.56 -0.21 0.00 0.00 178.00 177.30 1s7l h GLN 43 N 0.00 0.00 -0.01 1.05 3.07 -1.88 -2.46 115.11 114.88 1s7l h GLN 43 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1s7l h GLN 43 Cb 0.16 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 1s7l h GLN 43 CO 0.01 0.01 -0.18 0.66 0.09 0.00 0.00 178.83 179.42 1s7l n TYR 44 N -3.11 0.00 -3.38 0.06 4.01 -0.87 -4.77 117.16 109.10 1s7l n TYR 44 Ca 0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.33 1s7l n TYR 44 Cb 0.32 -0.14 -0.09 0.00 -0.31 0.00 0.00 39.34 39.12 1s7l n TYR 44 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1s7l s VAL 45 N -2.46 5.15 0.00 -0.72 1.01 -0.93 -4.85 120.40 117.60 1s7l s VAL 45 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 61.98 62.11 1s7l s VAL 45 Cb 0.20 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.68 1s7l s VAL 45 CO 0.49 -0.22 0.00 0.41 0.00 0.00 0.00 175.10 175.78 1s7l n THR 46 N 5.30 0.00 -4.24 3.92 -1.04 -1.26 -4.99 114.28 111.97 1s7l n THR 46 Ca -0.09 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.68 1s7l n THR 46 Cb 0.49 -0.99 -0.07 0.00 -1.82 0.00 0.00 70.33 67.93 1s7l n THR 46 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1s7l s SER 47 N -4.57 4.76 0.36 8.00 1.04 -1.26 -5.02 113.70 117.00 1s7l s SER 47 Ca 0.00 -0.50 0.05 0.00 0.48 0.00 0.00 55.95 55.98 1s7l s SER 47 Cb 0.00 -0.98 0.70 0.00 0.10 0.00 0.00 66.02 65.84 1s7l s SER 47 CO 0.00 0.03 1.97 -0.61 0.98 0.00 0.00 173.24 175.61 1s7l h GLN 48 N 2.16 0.77 -0.93 4.02 4.15 -1.98 -1.06 115.11 122.25 1s7l h GLN 48 Ca -0.46 -0.05 0.17 0.00 0.77 0.00 0.00 58.65 59.08 1s7l h GLN 48 Cb 1.23 -0.17 -0.08 0.00 0.21 0.00 0.00 27.48 28.67 1s7l h GLN 48 CO 0.59 0.51 0.60 0.93 -1.93 0.00 0.00 178.83 179.53 1s7l h GLU 49 N 0.80 0.65 -0.02 1.69 5.08 -1.99 -0.80 114.58 119.98 1s7l h GLU 49 Ca 0.30 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.50 1s7l h GLU 49 Cb 0.17 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1s7l h GLU 49 CO -0.09 0.43 -0.54 0.93 -1.00 0.00 0.00 179.01 178.73 1s7l h GLU 50 N 0.67 0.07 -0.05 2.33 5.08 -1.59 -1.50 114.58 119.58 1s7l h GLU 50 Ca 0.49 -0.04 -0.09 0.00 -1.00 0.00 0.00 59.36 58.72 1s7l h GLU 50 Cb 0.85 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.11 1s7l h GLU 50 CO -0.24 0.59 -0.32 1.15 -1.00 0.00 0.00 179.01 179.19 1s7l h THR 51 N 0.05 1.44 -0.84 1.13 2.02 -1.26 -2.37 112.91 113.09 1s7l h THR 51 Ca -0.00 -1.77 0.11 0.00 0.77 0.00 0.00 66.41 65.51 1s7l h THR 51 Cb 0.97 2.41 -0.08 0.00 -1.74 0.00 0.00 68.15 69.72 1s7l h THR 51 CO 0.07 0.51 0.47 -0.09 0.37 0.00 0.00 175.52 176.85 1s7l h ARG 52 N -0.21 0.74 -0.02 6.66 2.43 -1.05 0.34 114.38 123.27 1s7l h ARG 52 Ca -0.03 -0.04 0.01 0.00 -0.81 0.00 0.00 59.98 59.11 1s7l h ARG 52 Cb 0.99 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.36 1s7l h ARG 52 CO 0.07 0.49 -0.05 -0.22 -1.51 0.00 0.00 179.97 178.74 1s7l h LYS 53 N 0.76 -0.08 -0.58 0.20 1.63 -1.23 0.14 116.57 117.41 1s7l h LYS 53 Ca 0.42 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 60.24 1s7l h LYS 53 Cb 0.43 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.04 1s7l h LYS 53 CO -0.27 -0.05 0.36 1.25 -3.45 0.00 0.00 179.45 177.28 1s7l h HIS 54 N -0.08 0.67 -0.22 1.91 2.76 -0.70 -2.07 115.15 117.42 1s7l h HIS 54 Ca 0.03 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.16 1s7l h HIS 54 Cb 0.12 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1s7l h HIS 54 CO -0.13 0.39 -0.09 0.28 -1.30 0.00 0.00 177.93 177.08 1s7l h VAL 55 N 0.71 1.30 -0.40 5.26 2.07 0.16 -1.80 116.25 123.55 1s7l h VAL 55 Ca 0.23 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.62 1s7l h VAL 55 Cb -0.00 1.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 1s7l h VAL 55 CO -0.09 0.35 0.23 1.56 0.02 0.00 0.00 177.57 179.64 1s7l h GLN 56 N 0.17 0.54 -0.31 1.57 4.20 -0.64 -0.31 115.11 120.33 1s7l h GLN 56 Ca 0.05 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 1s7l h GLN 56 Cb 0.57 -0.12 -0.00 0.00 0.30 0.00 0.00 27.48 28.23 1s7l h GLN 56 CO 0.03 0.39 -0.31 0.78 -0.67 0.00 0.00 178.83 179.05 1s7l h GLY 57 N 0.60 0.83 1.00 3.46 0.00 -1.26 -3.01 103.07 104.69 1s7l h GLY 57 Ca 0.14 -0.85 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 1s7l h GLY 57 CO -0.03 0.77 0.05 3.43 0.00 0.00 0.00 176.54 180.76 1s7l h ASN 58 N 0.53 0.82 -0.86 0.19 -0.26 -0.63 -2.57 115.58 112.81 1s7l h ASN 58 Ca 0.05 -0.28 0.12 0.00 -0.56 0.00 0.00 56.30 55.63 1s7l h ASN 58 Cb 0.88 -0.22 -0.06 0.00 -1.06 0.00 0.00 38.32 37.86 1s7l h ASN 58 CO 0.08 0.90 0.56 0.40 -1.06 0.00 0.00 177.43 178.30 1s7l h ILE 59 N 0.72 0.91 0.00 2.81 2.04 -1.05 0.66 117.51 123.60 1s7l h ILE 59 Ca 0.15 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 1s7l h ILE 59 Cb 0.45 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.60 1s7l h ILE 59 CO 0.02 0.14 -0.00 -0.07 0.00 0.00 0.00 178.15 178.23 1s7l h LEU 60 N 0.76 -0.00 -1.68 1.44 3.38 -1.33 -0.60 115.31 117.28 1s7l h LEU 60 Ca 0.41 -0.36 -0.01 0.00 0.09 0.00 0.00 57.88 58.01 1s7l h LEU 60 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 1s7l h LEU 60 CO -0.18 0.36 0.13 -0.07 0.09 0.00 0.00 178.44 178.77 1s7l h LEU 61 N -0.37 0.30 0.02 1.67 3.38 -1.16 -1.53 115.31 117.62 1s7l h LEU 61 Ca -0.00 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1s7l h LEU 61 Cb 0.37 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1s7l h LEU 61 CO 0.00 0.25 -0.01 -0.74 0.09 0.00 0.00 178.44 178.03 1s7l h HIS 62 N 0.35 -0.03 -0.33 1.13 2.76 -0.53 0.48 115.15 118.98 1s7l h HIS 62 Ca 0.09 -0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.19 1s7l h HIS 62 Cb 0.02 0.01 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 1s7l h HIS 62 CO 0.00 0.17 -0.08 1.96 -1.30 0.00 0.00 177.93 178.68 1s7l h GLN 63 N -0.23 0.55 -0.00 5.26 4.20 -0.67 -2.50 115.11 121.72 1s7l h GLN 63 Ca -0.00 -0.15 0.00 0.00 0.06 0.00 0.00 58.65 58.56 1s7l h GLN 63 Cb 0.22 -0.06 0.00 0.00 0.30 0.00 0.00 27.48 27.93 1s7l h GLN 63 CO 0.01 0.64 -0.04 0.54 -0.67 0.00 0.00 178.83 179.30 1s7l n ARG 64 N -4.22 0.45 -1.77 1.46 1.74 -0.62 -4.92 116.66 108.79 1s7l n ARG 64 Ca 0.01 -0.05 -0.08 0.00 -0.77 0.00 0.00 57.85 56.96 1s7l n ARG 64 Cb 0.30 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.23 1s7l n ARG 64 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s7l n GLY 65 N 1.30 0.43 0.34 -0.13 0.00 -0.39 -4.91 105.19 101.83 1s7l n GLY 65 Ca 0.14 -0.61 0.11 0.00 0.00 0.00 0.00 46.02 45.66 1s7l n GLY 65 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1s7l n TYR 66 N -3.50 0.00 -3.84 1.61 4.01 0.16 -4.79 117.16 110.81 1s7l n TYR 66 Ca -0.09 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.66 1s7l n TYR 66 Cb 0.44 -0.01 0.01 0.00 -0.31 0.00 0.00 39.34 39.47 1s7l n TYR 66 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1s7l s ALA 67 N -2.64 -2.14 -0.06 -0.72 0.00 -1.09 -1.63 121.76 113.48 1s7l s ALA 67 Ca 0.15 0.14 -0.13 0.00 0.00 0.00 0.00 51.96 52.13 1s7l s ALA 67 Cb 0.18 0.69 0.03 0.00 0.00 0.00 0.00 23.12 24.01 1s7l s ALA 67 CO 0.66 -1.10 0.30 0.15 0.00 0.00 0.00 175.76 175.78 1s7l s LYS 68 N -2.26 0.52 -0.14 0.00 -0.14 -0.57 -3.25 119.74 113.89 1s7l s LYS 68 Ca 0.22 0.09 -0.02 0.00 -1.36 0.00 0.00 55.97 54.90 1s7l s LYS 68 Cb 0.00 0.24 0.04 0.00 -1.68 0.00 0.00 37.83 36.43 1s7l s LYS 68 CO 0.00 -0.11 -0.00 1.41 -0.76 0.00 0.00 175.35 175.88 1s7l s MET 69 N -0.64 0.86 0.01 1.68 -2.45 -1.26 -0.98 119.30 116.53 1s7l s MET 69 Ca -0.07 -0.24 0.06 0.00 -1.25 0.00 0.00 55.69 54.18 1s7l s MET 69 Cb -0.04 -1.65 -0.03 0.00 1.25 0.00 0.00 34.83 34.36 1s7l s MET 69 CO 0.02 -0.45 -0.16 0.71 1.05 0.00 0.00 175.02 176.19 1s7l s TYR 70 N 1.84 2.63 -0.16 4.11 2.02 -0.26 -0.89 117.35 126.64 1s7l s TYR 70 Ca 0.02 -0.21 -0.08 0.00 -0.37 0.00 0.00 57.07 56.43 1s7l s TYR 70 Cb -0.15 -1.52 -0.04 0.00 -0.40 0.00 0.00 41.96 39.85 1s7l s TYR 70 CO -0.07 0.25 0.11 -0.51 -1.57 0.00 0.00 175.55 173.76 1s7l s LEU 71 N -1.26 4.18 -0.13 -1.29 1.43 0.99 -1.14 118.68 121.47 1s7l s LEU 71 Ca 0.14 0.29 -0.23 0.00 -1.03 0.00 0.00 54.13 53.31 1s7l s LEU 71 Cb -0.11 -2.05 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 1s7l s LEU 71 CO 0.04 0.28 0.69 -0.63 0.23 0.00 0.00 176.35 176.97 1s7l s ILE 72 N -0.26 5.01 -0.12 -0.59 1.01 0.87 -1.51 121.20 125.62 1s7l s ILE 72 Ca 0.10 1.38 0.01 0.00 0.00 0.00 0.00 60.65 62.14 1s7l s ILE 72 Cb -0.12 -4.02 -0.01 0.00 0.01 0.00 0.00 42.46 38.32 1s7l s ILE 72 CO 0.01 0.17 -0.14 -0.36 0.00 0.00 0.00 174.94 174.62 1s7l s PHE 73 N 1.37 2.77 -0.31 3.97 0.40 0.08 0.15 117.98 126.42 1s7l s PHE 73 Ca 0.34 -0.65 0.01 0.00 -0.60 0.00 0.00 56.93 56.04 1s7l s PHE 73 Cb -0.17 -1.81 0.07 0.00 0.51 0.00 0.00 43.02 41.63 1s7l s PHE 73 CO 0.14 -0.20 -0.00 0.00 0.70 0.00 0.00 175.22 175.86 1s7l n GLN 75 N 4.45 -4.13 -1.75 0.00 6.02 -0.16 -1.60 117.38 120.22 1s7l n GLN 75 Ca -0.08 0.56 -0.20 0.00 -0.01 0.00 0.00 57.00 57.27 1s7l n GLN 75 Cb 0.42 -4.94 -0.07 0.00 1.02 0.00 0.00 30.24 26.68 1s7l n GLN 75 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1s7l n ASN 76 N -3.01 -5.42 -4.22 1.08 3.02 -1.26 -5.00 115.26 100.45 1s7l n ASN 76 Ca -0.28 0.37 -0.32 0.00 -0.03 0.00 0.00 54.58 54.32 1s7l n ASN 76 Cb 0.67 -4.60 -0.17 0.00 -0.61 0.00 0.00 39.78 35.08 1s7l n ASN 76 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1s7l s GLU 77 N -3.95 3.08 0.04 3.52 2.12 -0.62 -5.08 118.70 117.80 1s7l s GLU 77 Ca 0.00 -0.85 -0.30 0.00 0.36 0.00 0.00 54.97 54.18 1s7l s GLU 77 Cb 0.00 -2.38 -0.09 0.00 0.26 0.00 0.00 34.13 31.92 1s7l s GLU 77 CO 0.00 0.12 1.86 1.41 -0.54 0.00 0.00 175.26 178.11 1s7l s MET 78 N 0.50 4.15 -0.01 4.30 -2.45 -1.26 -0.79 119.30 123.74 1s7l s MET 78 Ca -0.14 2.52 0.07 0.00 -1.25 0.00 0.00 55.69 56.88 1s7l s MET 78 Cb -0.17 -3.97 -0.09 0.00 1.25 0.00 0.00 34.83 31.85 1s7l s MET 78 CO 0.05 -0.90 0.20 0.00 1.05 0.00 0.00 175.02 175.43 1s7l n ALA 79 N 6.93 2.50 0.00 4.11 0.00 0.12 -4.90 120.51 129.27 1s7l n ALA 79 Ca 0.19 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1s7l n ALA 79 Cb 0.41 -0.23 0.00 0.00 0.00 0.00 0.00 19.45 19.62 1s7l n ALA 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1s7l n GLY 80 N 1.72 -1.46 3.12 0.00 0.00 -1.21 -0.73 105.19 106.62 1s7l n GLY 80 Ca -0.00 -1.05 -0.23 0.00 0.00 0.00 0.00 46.02 44.74 1s7l n GLY 80 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s7l s VAL 81 N -2.79 1.17 -0.08 1.61 1.01 -0.59 -0.09 120.40 120.65 1s7l s VAL 81 Ca 0.00 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.36 1s7l s VAL 81 Cb 0.00 -0.98 0.02 0.00 0.00 0.00 0.00 36.38 35.42 1s7l s VAL 81 CO 0.00 0.33 -0.07 -0.22 0.00 0.00 0.00 175.10 175.14 1s7l s LEU 82 N -0.30 1.28 0.27 3.92 2.96 -0.29 -1.70 118.68 124.82 1s7l s LEU 82 Ca 0.05 -0.24 -0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1s7l s LEU 82 Cb -0.06 -0.71 -0.01 0.00 0.50 0.00 0.00 46.19 45.91 1s7l s LEU 82 CO -0.00 -0.07 0.42 -0.94 -1.32 0.00 0.00 176.35 174.44 1s7l s SER 83 N 1.26 0.22 -0.34 3.68 1.04 0.38 -1.11 113.70 118.83 1s7l s SER 83 Ca -0.04 -1.16 -0.09 0.00 0.48 0.00 0.00 55.95 55.14 1s7l s SER 83 Cb -0.14 0.58 0.02 0.00 0.10 0.00 0.00 66.02 66.58 1s7l s SER 83 CO -0.03 -1.14 0.15 -0.36 0.98 0.00 0.00 173.24 172.84 1s7l s PHE 84 N -3.75 3.22 0.24 5.02 0.08 -0.16 -0.91 117.98 121.72 1s7l s PHE 84 Ca 0.27 -1.06 -0.03 0.00 0.12 0.00 0.00 56.93 56.23 1s7l s PHE 84 Cb 0.01 -2.35 0.26 0.00 -0.57 0.00 0.00 43.02 40.36 1s7l s PHE 84 CO 0.13 -0.64 1.69 -0.91 -0.10 0.00 0.00 175.22 175.38 1s7l h ASN 85 N 8.33 0.76 -3.96 1.36 -0.26 0.09 -1.51 115.58 120.39 1s7l h ASN 85 Ca -0.26 -0.23 -0.13 0.00 -0.56 0.00 0.00 56.30 55.11 1s7l h ASN 85 Cb 1.11 -0.21 -0.24 0.00 -1.06 0.00 0.00 38.32 37.92 1s7l h ASN 85 CO 0.63 0.91 -0.28 0.00 -1.06 0.00 0.00 177.43 177.63 1s7l s ALA 86 N -4.75 -0.90 -0.10 -0.83 0.00 -1.22 -4.78 121.76 109.17 1s7l s ALA 86 Ca -0.09 0.98 0.04 0.00 0.00 0.00 0.00 51.96 52.89 1s7l s ALA 86 Cb 0.14 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.71 1s7l s ALA 86 CO 0.82 -0.18 -0.23 0.42 0.00 0.00 0.00 175.76 176.59 1s7l s ILE 87 N 0.07 1.99 -0.74 0.00 1.01 -0.65 -1.06 121.20 121.82 1s7l s ILE 87 Ca -0.01 -0.98 -0.08 0.00 0.00 0.00 0.00 60.65 59.58 1s7l s ILE 87 Cb -0.03 -1.73 0.19 0.00 0.01 0.00 0.00 42.46 40.91 1s7l s ILE 87 CO 0.01 0.55 0.62 -1.61 0.00 0.00 0.00 174.94 174.51 1s7l s GLU 88 N 0.38 3.13 0.28 2.79 2.02 0.61 -4.82 118.70 123.09 1s7l s GLU 88 Ca -0.18 -2.55 0.02 0.00 0.02 0.00 0.00 54.97 52.28 1s7l s GLU 88 Cb -0.18 -4.09 0.68 0.00 0.10 0.00 0.00 34.13 30.64 1s7l s GLU 88 CO 0.08 -1.24 1.69 -1.35 0.02 0.00 0.00 175.26 174.47 1s7l h PRO 89 N 7.34 0.35 -0.50 0.39 0.11 -1.89 0.05 132.00 137.84 1s7l h PRO 89 Ca 0.06 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.09 1s7l h PRO 89 Cb 0.99 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.00 1s7l h PRO 89 CO 0.74 0.23 0.08 0.82 -0.21 0.00 0.00 178.00 179.66 1s7l h ILE 90 N 0.36 1.23 -0.01 4.15 2.04 -1.95 -2.46 117.51 120.86 1s7l h ILE 90 Ca 0.53 -0.87 0.00 0.00 1.00 0.00 0.00 64.86 65.52 1s7l h ILE 90 Cb 1.00 0.76 0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1s7l h ILE 90 CO -0.54 0.32 -0.23 0.59 0.00 0.00 0.00 178.15 178.29 1s7l n ASN 91 N -4.26 1.12 -3.83 1.72 3.02 -0.17 -4.94 115.26 107.92 1s7l n ASN 91 Ca 0.03 -0.99 -0.28 0.00 -0.03 0.00 0.00 54.58 53.32 1s7l n ASN 91 Cb 0.25 0.13 0.03 0.00 -0.61 0.00 0.00 39.78 39.58 1s7l n ASN 91 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1s7l n LYS 92 N -0.52 -5.67 -4.81 3.52 5.02 -0.20 -4.81 118.16 110.70 1s7l n LYS 92 Ca 0.13 0.63 -0.29 0.00 -2.02 0.00 0.00 58.31 56.75 1s7l n LYS 92 Cb 0.35 -5.47 -0.14 0.00 -0.02 0.00 0.00 35.03 29.75 1s7l n LYS 92 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1s7l s ALA 93 N -3.38 2.19 -0.00 7.82 0.00 -1.13 -0.49 121.76 126.76 1s7l s ALA 93 Ca 0.51 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.20 1s7l s ALA 93 Cb -0.25 -0.44 -0.00 0.00 0.00 0.00 0.00 23.12 22.42 1s7l s ALA 93 CO 0.82 0.51 0.03 0.00 0.00 0.00 0.00 175.76 177.11 1s7l s ALA 94 N -0.84 -0.05 -0.23 0.00 0.00 0.18 -0.28 121.76 120.55 1s7l s ALA 94 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 51.96 51.86 1s7l s ALA 94 Cb -0.10 0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 1s7l s ALA 94 CO 0.02 -0.08 0.10 0.71 0.00 0.00 0.00 175.76 176.52 1s7l s TYR 95 N -0.56 3.19 0.08 0.00 2.02 -0.23 -0.50 117.35 121.35 1s7l s TYR 95 Ca -0.06 -0.09 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 1s7l s TYR 95 Cb -0.04 -2.22 -0.07 0.00 -0.40 0.00 0.00 41.96 39.24 1s7l s TYR 95 CO -0.00 -0.11 0.54 0.42 -1.57 0.00 0.00 175.55 174.83 1s7l s ILE 96 N 1.19 4.81 0.03 2.71 1.01 0.10 0.75 121.20 131.80 1s7l s ILE 96 Ca 0.05 1.06 0.03 0.00 0.00 0.00 0.00 60.65 61.79 1s7l s ILE 96 Cb -0.14 -3.83 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 1s7l s ILE 96 CO 0.04 0.48 -0.08 -0.83 0.00 0.00 0.00 174.94 174.54 1s7l s GLY 97 N -1.26 0.51 0.06 6.18 0.00 -0.09 -4.62 107.32 108.09 1s7l s GLY 97 Ca 0.30 -0.66 -0.26 0.00 0.00 0.00 0.00 44.72 44.10 1s7l s GLY 97 CO 0.18 -0.68 0.75 -2.52 0.00 0.00 0.00 173.10 170.83 1s7l s TYR 98 N -1.01 -0.46 0.00 1.90 -0.85 -1.26 0.14 117.35 115.82 1s7l s TYR 98 Ca -0.05 0.35 -0.28 0.00 -0.52 0.00 0.00 57.07 56.57 1s7l s TYR 98 Cb -0.08 0.53 0.07 0.00 0.38 0.00 0.00 41.96 42.86 1s7l s TYR 98 CO 0.00 -0.68 0.65 1.67 -1.52 0.00 0.00 175.55 175.67 1s7l s TRP 99 N -3.17 -0.61 -0.03 -3.49 1.48 -0.69 -5.01 118.94 107.41 1s7l s TRP 99 Ca 0.02 0.89 0.05 0.00 -1.06 0.00 0.00 56.10 56.01 1s7l s TRP 99 Cb -0.01 0.44 -0.01 0.00 -1.16 0.00 0.00 33.47 32.73 1s7l s TRP 99 CO -0.09 -0.66 -0.20 -0.51 -4.06 0.00 0.00 176.95 171.43 1s7l s LEU 100 N -1.60 2.00 0.26 -4.66 1.43 -1.26 -1.54 118.68 113.31 1s7l s LEU 100 Ca -0.08 -0.39 -0.30 0.00 -1.03 0.00 0.00 54.13 52.33 1s7l s LEU 100 Cb -0.00 -1.07 -0.13 0.00 0.03 0.00 0.00 46.19 45.01 1s7l s LEU 100 CO 0.04 0.21 1.37 -0.67 0.23 0.00 0.00 176.35 177.53 1s7l n ASP 101 N 2.86 2.71 -0.25 2.29 2.03 0.09 -4.83 116.55 121.45 1s7l n ASP 101 Ca -0.17 1.16 0.29 0.00 0.52 0.00 0.00 54.79 56.59 1s7l n ASP 101 Cb 0.53 -1.44 0.68 0.00 -0.72 0.00 0.00 41.12 40.17 1s7l n ASP 101 CO 0.00 0.00 0.00 1.05 -1.92 0.00 0.00 177.20 176.33 1s7l h GLU 102 N 3.77 0.10 -0.00 -0.67 9.09 -1.94 -0.48 114.58 124.46 1s7l h GLU 102 Ca -0.45 -0.01 0.00 0.00 0.05 0.00 0.00 59.36 58.95 1s7l h GLU 102 Cb 1.28 -0.02 0.00 0.00 -1.65 0.00 0.00 28.75 28.36 1s7l h GLU 102 CO 0.72 0.07 -0.00 -1.13 0.05 0.00 0.00 179.01 178.71 1s7l n SER 103 N -4.32 0.02 -0.72 3.06 3.41 -1.26 -3.05 113.62 110.76 1s7l n SER 103 Ca 0.22 -0.35 0.08 0.00 -0.26 0.00 0.00 58.87 58.55 1s7l n SER 103 Cb 1.01 -0.21 0.12 0.00 -0.26 0.00 0.00 64.21 64.87 1s7l n SER 103 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1s7l n PHE 104 N -1.21 0.26 -1.71 7.33 3.01 -0.19 -5.03 117.46 119.92 1s7l n PHE 104 Ca 0.16 -0.20 -0.30 0.00 1.01 0.00 0.00 57.45 58.12 1s7l n PHE 104 Cb 0.21 -0.01 0.07 0.00 -0.01 0.00 0.00 39.48 39.75 1s7l n PHE 104 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1s7l s GLN 105 N -1.16 2.35 -0.37 -1.08 -0.21 -1.17 -4.25 119.66 113.77 1s7l s GLN 105 Ca 0.24 0.52 0.00 0.00 0.02 0.00 0.00 55.36 56.13 1s7l s GLN 105 Cb 0.14 -1.96 0.00 0.00 1.00 0.00 0.00 33.01 32.19 1s7l s GLN 105 CO 0.20 -1.41 0.00 0.41 -2.12 0.00 0.00 175.29 172.38 1s7l n GLY 106 N -2.55 0.64 0.04 3.09 0.00 -1.26 -4.89 105.19 100.26 1s7l n GLY 106 Ca 0.07 -0.47 0.04 0.00 0.00 0.00 0.00 46.02 45.65 1s7l n GLY 106 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1s7l n GLN 107 N -2.45 2.12 -1.26 1.61 6.02 -1.26 -4.97 117.38 117.18 1s7l n GLN 107 Ca -0.03 -1.84 -0.09 0.00 -0.01 0.00 0.00 57.00 55.03 1s7l n GLN 107 Cb 0.17 -1.14 -0.04 0.00 1.02 0.00 0.00 30.24 30.25 1s7l n GLN 107 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1s7l n GLY 108 N -0.81 0.95 0.11 1.08 0.00 -1.26 -4.92 105.19 100.34 1s7l n GLY 108 Ca 0.06 -0.15 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1s7l n GLY 108 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1s7l h ILE 109 N 0.00 1.13 -0.46 -0.61 2.04 -1.94 -1.94 117.51 115.74 1s7l h ILE 109 Ca -0.18 -0.37 -0.13 0.00 1.00 0.00 0.00 64.86 65.18 1s7l h ILE 109 Cb 0.92 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 38.02 1s7l h ILE 109 CO 0.27 0.12 -0.22 -0.03 0.00 0.00 0.00 178.15 178.29 1s7l h MET 110 N 0.17 0.96 -0.24 2.37 4.05 -1.91 -1.66 114.93 118.67 1s7l h MET 110 Ca 0.06 -0.42 0.06 0.00 -0.28 0.00 0.00 59.70 59.12 1s7l h MET 110 Cb 0.11 -0.03 -0.06 0.00 -0.80 0.00 0.00 31.60 30.83 1s7l h MET 110 CO -0.01 1.09 -0.12 0.77 0.23 0.00 0.00 176.91 178.86 1s7l h SER 111 N 0.80 -0.41 -0.29 1.39 0.02 -1.91 0.25 113.55 113.40 1s7l h SER 111 Ca 0.10 0.10 -0.11 0.00 -0.84 0.00 0.00 61.79 61.04 1s7l h SER 111 Cb 0.80 0.23 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 1s7l h SER 111 CO 0.07 -0.16 -0.22 1.56 -1.14 0.00 0.00 176.83 176.94 1s7l h GLN 112 N -0.10 0.77 -0.41 3.45 4.20 -1.26 -2.54 115.11 119.21 1s7l h GLN 112 Ca 0.13 -0.30 -0.10 0.00 0.06 0.00 0.00 58.65 58.43 1s7l h GLN 112 Cb 0.29 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.02 1s7l h GLN 112 CO -0.30 0.92 -0.16 0.77 -0.67 0.00 0.00 178.83 179.38 1s7l h SER 113 N 0.67 0.77 -0.33 1.46 0.02 -0.94 -1.50 113.55 113.71 1s7l h SER 113 Ca 0.09 -0.25 -0.13 0.00 -0.84 0.00 0.00 61.79 60.67 1s7l h SER 113 Cb 0.72 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.05 1s7l h SER 113 CO 0.06 0.94 -0.29 0.25 -1.14 0.00 0.00 176.83 176.64 1s7l h LEU 114 N 0.69 0.82 -0.69 5.07 5.85 -0.84 -1.00 115.31 125.21 1s7l h LEU 114 Ca 0.11 -0.46 -0.05 0.00 0.84 0.00 0.00 57.88 58.32 1s7l h LEU 114 Cb 0.66 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.43 1s7l h LEU 114 CO 0.05 1.11 0.23 -0.61 -0.34 0.00 0.00 178.44 178.87 1s7l h GLN 115 N 0.54 1.06 -0.43 1.25 4.15 -1.36 -0.51 115.11 119.81 1s7l h GLN 115 Ca 0.06 -0.22 -0.05 0.00 0.77 0.00 0.00 58.65 59.20 1s7l h GLN 115 Cb 0.86 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 28.38 1s7l h GLN 115 CO 0.07 0.91 0.06 0.00 -1.93 0.00 0.00 178.83 177.94 1s7l h ALA 116 N 1.10 0.58 -0.49 3.38 0.00 -1.05 -1.71 119.26 121.08 1s7l h ALA 116 Ca 0.22 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1s7l h ALA 116 Cb 0.28 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1s7l h ALA 116 CO -0.01 0.31 0.29 1.25 0.00 0.00 0.00 179.25 181.09 1s7l h LEU 117 N 0.58 0.58 0.02 0.00 5.85 -0.85 -1.94 115.31 119.56 1s7l h LEU 117 Ca 0.13 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1s7l h LEU 117 Cb 0.40 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1s7l h LEU 117 CO 0.01 0.47 -0.01 0.24 -0.34 0.00 0.00 178.44 178.81 1s7l h MET 118 N 0.65 -0.03 -0.66 1.25 2.86 -1.02 -2.45 114.93 115.54 1s7l h MET 118 Ca 0.17 0.00 0.12 0.00 -2.06 0.00 0.00 59.70 57.94 1s7l h MET 118 Cb -0.01 0.01 -0.09 0.00 0.06 0.00 0.00 31.60 31.57 1s7l h MET 118 CO -0.03 0.30 0.20 1.15 1.06 0.00 0.00 176.91 179.59 1s7l h THR 119 N -0.36 0.67 -0.74 2.22 2.02 -1.27 0.23 112.91 115.67 1s7l h THR 119 Ca -0.00 -0.12 0.02 0.00 0.77 0.00 0.00 66.41 67.08 1s7l h THR 119 Cb 0.34 0.29 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 1s7l h THR 119 CO 0.00 0.06 0.48 -0.74 0.37 0.00 0.00 175.52 175.69 1s7l h HIS 120 N 0.35 0.90 0.06 3.16 6.17 -1.19 0.01 115.15 124.60 1s7l h HIS 120 Ca 0.35 0.02 -0.27 0.00 0.71 0.00 0.00 60.37 61.18 1s7l h HIS 120 Cb 0.51 -0.30 0.02 0.00 2.52 0.00 0.00 27.41 30.16 1s7l h HIS 120 CO -0.21 0.54 -1.11 1.88 0.71 0.00 0.00 177.93 179.74 1s7l h TYR 121 N 0.95 0.85 -0.66 5.26 -1.99 -0.87 -1.74 116.97 118.77 1s7l h TYR 121 Ca 0.29 -0.51 -0.04 0.00 2.00 0.00 0.00 58.73 60.47 1s7l h TYR 121 Cb -0.04 -0.08 -0.03 0.00 2.00 0.00 0.00 36.73 38.58 1s7l h TYR 121 CO -0.03 1.35 0.26 0.00 -0.00 0.00 0.00 178.16 179.74 1s7l h ALA 122 N 0.48 1.21 -0.20 3.88 0.00 -0.38 -0.34 119.26 123.91 1s7l h ALA 122 Ca -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1s7l h ALA 122 Cb 1.77 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 1s7l h ALA 122 CO 0.21 0.57 0.08 0.00 0.00 0.00 0.00 179.25 180.11 1s7l h ARG 123 N 0.95 0.31 0.00 0.00 3.08 -0.92 -1.37 114.38 116.43 1s7l h ARG 123 Ca 0.22 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.20 1s7l h ARG 123 Cb 0.19 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1s7l h ARG 123 CO -0.02 0.38 -0.05 0.00 -1.07 0.00 0.00 179.97 179.20 1s7l h ARG 124 N 0.17 0.00 0.00 0.04 3.08 -1.13 -3.47 114.38 113.07 1s7l h ARG 124 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1s7l h ARG 124 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1s7l h ARG 124 CO -0.00 0.05 0.00 0.41 -1.07 0.00 0.00 179.97 179.36 1s7l n GLY 125 N -1.35 0.81 0.39 0.04 0.00 -0.15 -4.92 105.19 100.01 1s7l n GLY 125 Ca -0.03 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.13 1s7l n GLY 125 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1s7l n ASP 126 N 0.00 1.31 -3.70 1.61 5.68 -1.22 -4.77 116.55 115.45 1s7l n ASP 126 Ca 0.00 -1.28 -0.16 0.00 -0.50 0.00 0.00 54.79 52.85 1s7l n ASP 126 Cb 0.00 0.04 -0.16 0.00 -1.14 0.00 0.00 41.12 39.86 1s7l n ASP 126 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1s7l s ILE 127 N -2.17 -0.15 0.00 2.12 1.01 -1.24 -4.57 121.20 116.20 1s7l s ILE 127 Ca 0.33 0.31 0.00 0.00 0.00 0.00 0.00 60.65 61.29 1s7l s ILE 127 Cb 0.20 -0.22 0.00 0.00 0.01 0.00 0.00 42.46 42.46 1s7l s ILE 127 CO 0.40 0.13 0.00 -2.11 0.00 0.00 0.00 174.94 173.36 1s7l n ARG 128 N 4.88 3.25 -4.10 2.79 1.85 0.35 -3.42 116.66 122.26 1s7l n ARG 128 Ca -0.13 0.00 -0.33 0.00 -1.00 0.00 0.00 57.85 56.39 1s7l n ARG 128 Cb 0.50 -0.63 -0.16 0.00 -1.05 0.00 0.00 32.46 31.12 1s7l n ARG 128 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 1s7l s ARG 129 N -1.13 2.69 -0.08 2.89 3.52 -0.73 0.12 118.95 126.23 1s7l s ARG 129 Ca 0.00 -1.04 -0.00 0.00 -0.13 0.00 0.00 55.73 54.56 1s7l s ARG 129 Cb 0.00 -2.71 -0.03 0.00 -1.56 0.00 0.00 34.95 30.65 1s7l s ARG 129 CO 0.00 -0.36 -0.05 -0.06 -0.81 0.00 0.00 175.30 174.02 1s7l s PHE 130 N 1.22 3.00 0.00 5.12 0.40 0.13 -0.64 117.98 127.20 1s7l s PHE 130 Ca -0.01 0.02 0.04 0.00 -0.60 0.00 0.00 56.93 56.38 1s7l s PHE 130 Cb -0.16 -1.75 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 1s7l s PHE 130 CO -0.10 0.32 -0.12 0.08 0.70 0.00 0.00 175.22 176.11 1s7l s VAL 131 N -0.70 0.92 -0.13 -0.44 1.01 0.34 -1.22 120.40 120.20 1s7l s VAL 131 Ca 0.11 -0.62 -0.00 0.00 0.00 0.00 0.00 61.98 61.47 1s7l s VAL 131 Cb -0.11 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.49 1s7l s VAL 131 CO 0.02 0.17 -0.10 -0.63 0.00 0.00 0.00 175.10 174.56 1s7l s ILE 132 N -0.43 1.24 -0.12 2.22 1.01 0.61 0.00 121.20 125.73 1s7l s ILE 132 Ca 0.03 -0.43 0.02 0.00 0.00 0.00 0.00 60.65 60.27 1s7l s ILE 132 Cb -0.05 -1.21 -0.01 0.00 0.01 0.00 0.00 42.46 41.19 1s7l s ILE 132 CO -0.00 0.40 -0.17 -0.54 0.00 0.00 0.00 174.94 174.63 1s7l s LYS 133 N 1.60 3.24 -0.04 2.79 1.02 -1.26 0.29 119.74 127.37 1s7l s LYS 133 Ca 0.04 -0.76 -0.29 0.00 0.02 0.00 0.00 55.97 54.99 1s7l s LYS 133 Cb -0.13 -2.50 0.10 0.00 -0.52 0.00 0.00 37.83 34.78 1s7l s LYS 133 CO -0.09 0.21 0.81 0.00 -0.92 0.00 0.00 175.35 175.37 1s7l n ARG 135 N 0.38 0.43 -0.16 0.00 1.74 -1.26 -0.43 116.66 117.36 1s7l n ARG 135 Ca -0.14 0.15 0.20 0.00 -0.77 0.00 0.00 57.85 57.30 1s7l n ARG 135 Cb 0.60 -1.34 0.59 0.00 -1.02 0.00 0.00 32.46 31.29 1s7l n ARG 135 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1s7l h VAL 136 N 1.59 0.70 -0.04 1.55 2.07 -1.16 -2.59 116.25 118.37 1s7l h VAL 136 Ca -0.34 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1s7l h VAL 136 Cb 1.41 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.60 1s7l h VAL 136 CO 0.60 0.05 0.00 -0.90 0.02 0.00 0.00 177.57 177.33 1s7l n ASP 137 N -4.43 1.19 -4.57 0.57 5.68 -1.26 -4.66 116.55 109.07 1s7l n ASP 137 Ca 0.16 -1.44 -0.40 0.00 -0.50 0.00 0.00 54.79 52.61 1s7l n ASP 137 Cb 0.68 -0.02 -0.02 0.00 -1.14 0.00 0.00 41.12 40.62 1s7l n ASP 137 CO 0.00 0.00 0.00 0.21 -1.33 0.00 0.00 177.20 176.08 1s7l s ASN 138 N -1.91 6.46 0.34 -1.12 3.84 -0.97 -4.83 114.94 116.75 1s7l s ASN 138 Ca 0.38 -1.66 0.11 0.00 0.21 0.00 0.00 52.86 51.91 1s7l s ASN 138 Cb 0.20 -2.57 0.62 0.00 -0.55 0.00 0.00 41.25 38.95 1s7l s ASN 138 CO 0.32 -1.54 1.77 1.56 -2.79 0.00 0.00 177.10 176.43 1s7l h GLN 139 N 9.33 0.05 -0.42 0.43 4.20 -1.89 -2.07 115.11 124.75 1s7l h GLN 139 Ca 0.26 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 1s7l h GLN 139 Cb 0.97 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1s7l h GLN 139 CO 1.42 0.45 0.13 0.00 -0.67 0.00 0.00 178.83 180.16 1s7l h ALA 140 N 1.55 0.54 -0.31 3.87 0.00 -1.99 -0.48 119.26 122.44 1s7l h ALA 140 Ca 0.00 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.59 1s7l h ALA 140 Cb 0.74 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1s7l h ALA 140 CO 0.06 0.19 -0.43 1.03 0.00 0.00 0.00 179.25 180.10 1s7l h SER 141 N 0.53 0.84 -0.83 0.00 0.87 -1.95 -2.52 113.55 110.49 1s7l h SER 141 Ca 0.13 -0.39 -0.02 0.00 -1.23 0.00 0.00 61.79 60.28 1s7l h SER 141 Cb 0.25 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 61.94 1s7l h SER 141 CO -0.01 1.15 0.44 0.78 -0.53 0.00 0.00 176.83 178.66 1s7l h ASN 142 N 0.63 1.04 -0.81 6.23 2.35 -1.18 -1.67 115.58 122.17 1s7l h ASN 142 Ca 0.04 -0.11 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 1s7l h ASN 142 Cb 0.99 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 39.05 1s7l h ASN 142 CO 0.09 0.85 0.51 0.00 -1.65 0.00 0.00 177.43 177.23 1s7l h ALA 143 N 1.24 1.03 -0.99 -0.83 0.00 -0.91 -0.80 119.26 117.99 1s7l h ALA 143 Ca 0.29 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.13 1s7l h ALA 143 Cb 0.05 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 17.46 1s7l h ALA 143 CO -0.04 0.48 0.66 0.28 0.00 0.00 0.00 179.25 180.62 1s7l h VAL 144 N 1.11 1.26 -0.13 0.00 2.07 -0.94 -1.02 116.25 118.60 1s7l h VAL 144 Ca 0.29 -0.47 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 1s7l h VAL 144 Cb -0.07 -0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 29.49 1s7l h VAL 144 CO -0.06 0.25 -0.16 0.00 0.02 0.00 0.00 177.57 177.62 1s7l h ALA 145 N 1.38 0.19 -0.60 1.67 0.00 -0.79 -2.27 119.26 118.83 1s7l h ALA 145 Ca 0.36 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1s7l h ALA 145 Cb -0.15 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1s7l h ALA 145 CO -0.08 0.09 0.05 0.00 0.00 0.00 0.00 179.25 179.31 1s7l h ARG 146 N -0.06 1.01 0.00 0.00 3.08 -1.10 0.24 114.38 117.55 1s7l h ARG 146 Ca 0.02 -0.28 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1s7l h ARG 146 Cb 0.70 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.63 1s7l h ARG 146 CO 0.04 0.96 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.69 1s7l h ARG 147 N 0.94 0.00 -0.64 0.04 2.43 -1.15 0.84 114.38 116.83 1s7l h ARG 147 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 1s7l h ARG 147 Cb 0.48 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1s7l h ARG 147 CO 0.02 0.12 0.00 0.09 -1.51 0.00 0.00 179.97 178.69 1s7l n ASN 148 N -3.65 4.04 -1.90 -3.80 3.02 -0.36 -4.90 115.26 107.71 1s7l n ASN 148 Ca -0.02 -2.45 -0.14 0.00 -0.03 0.00 0.00 54.58 51.94 1s7l n ASN 148 Cb 0.24 -0.55 0.01 0.00 -0.61 0.00 0.00 39.78 38.88 1s7l n ASN 148 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1s7l n HIS 149 N 0.72 -1.09 -2.83 3.10 8.25 0.29 -5.01 115.22 118.66 1s7l n HIS 149 Ca 0.20 0.24 -0.33 0.00 -0.26 0.00 0.00 57.72 57.56 1s7l n HIS 149 Cb 0.79 -3.19 -0.07 0.00 1.12 0.00 0.00 29.99 28.65 1s7l n HIS 149 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 1s7l s PHE 150 N -2.87 3.36 -0.13 4.41 0.40 -0.07 -4.78 117.98 118.31 1s7l s PHE 150 Ca 0.14 1.61 -0.04 0.00 -0.60 0.00 0.00 56.93 58.04 1s7l s PHE 150 Cb -0.06 -2.85 -0.03 0.00 0.51 0.00 0.00 43.02 40.59 1s7l s PHE 150 CO 0.17 -0.06 0.01 0.99 0.70 0.00 0.00 175.22 177.03 1s7l s THR 151 N -2.10 4.35 -0.13 0.64 2.01 0.18 -4.63 115.64 115.97 1s7l s THR 151 Ca 0.60 -0.21 -0.29 0.00 0.31 0.00 0.00 61.69 62.09 1s7l s THR 151 Cb -0.10 -2.88 -0.02 0.00 0.01 0.00 0.00 72.50 69.51 1s7l s THR 151 CO 0.14 0.55 1.20 -0.22 -0.69 0.00 0.00 174.62 175.60 1s7l s LEU 152 N -0.30 4.21 -0.17 4.42 2.96 -1.26 -0.40 118.68 128.14 1s7l s LEU 152 Ca 0.07 1.69 0.11 0.00 -0.22 0.00 0.00 54.13 55.77 1s7l s LEU 152 Cb -0.12 -3.55 -0.23 0.00 0.50 0.00 0.00 46.19 42.79 1s7l s LEU 152 CO 0.02 -0.67 0.18 -0.62 -1.32 0.00 0.00 176.35 173.95 1s7l n GLU 153 N 5.97 0.68 -3.63 1.98 1.02 0.60 -4.95 120.64 122.30 1s7l n GLU 153 Ca 0.12 0.12 -0.01 0.00 -0.02 0.00 0.00 57.16 57.38 1s7l n GLU 153 Cb 0.46 -1.61 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1s7l n GLU 153 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 1s7l s GLY 154 N -5.61 -0.37 -0.22 0.62 0.00 -1.22 -5.03 107.32 95.49 1s7l s GLY 154 Ca -0.15 0.78 -0.01 0.00 0.00 0.00 0.00 44.72 45.34 1s7l s GLY 154 CO 0.78 0.18 -0.12 0.00 0.00 0.00 0.00 173.10 173.94 1s7l s MET 156 N 1.32 3.19 0.06 0.00 -1.94 0.82 -4.91 119.30 117.85 1s7l s MET 156 Ca 0.02 -0.64 -0.31 0.00 -1.71 0.00 0.00 55.69 53.06 1s7l s MET 156 Cb -0.15 -4.04 -0.09 0.00 2.01 0.00 0.00 34.83 32.57 1s7l s MET 156 CO -0.08 -1.16 1.74 0.15 -0.01 0.00 0.00 175.02 175.67 1s7l s LYS 157 N 2.80 4.17 -1.36 2.03 -0.14 -1.26 -0.08 119.74 125.91 1s7l s LYS 157 Ca 0.19 2.42 -0.13 0.00 -1.36 0.00 0.00 55.97 57.09 1s7l s LYS 157 Cb -0.17 -3.72 0.11 0.00 -1.68 0.00 0.00 37.83 32.37 1s7l s LYS 157 CO 0.15 -0.81 0.54 1.04 -0.76 0.00 0.00 175.35 175.52 1s7l n GLN 158 N 6.07 -2.97 0.15 1.68 6.02 -1.21 -4.84 117.38 122.27 1s7l n GLN 158 Ca 0.17 0.36 0.01 0.00 -0.01 0.00 0.00 57.00 57.53 1s7l n GLN 158 Cb 0.40 -5.05 0.22 0.00 1.02 0.00 0.00 30.24 26.83 1s7l n GLN 158 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1s7l h ALA 159 N 0.95 0.96 -4.12 -1.58 0.00 -1.17 -3.41 119.26 110.88 1s7l h ALA 159 Ca -0.45 -0.49 -0.67 0.00 0.00 0.00 0.00 54.91 53.29 1s7l h ALA 159 Cb 1.30 -0.09 -0.31 0.00 0.00 0.00 0.00 17.79 18.69 1s7l h ALA 159 CO 0.60 0.68 -0.88 -1.21 0.00 0.00 0.00 179.25 178.44 1s7l s GLU 160 N -3.56 2.34 -0.39 0.00 2.02 -0.82 -4.93 118.70 113.34 1s7l s GLU 160 Ca -0.01 -0.86 -0.17 0.00 0.02 0.00 0.00 54.97 53.94 1s7l s GLU 160 Cb 0.12 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.32 1s7l s GLU 160 CO 0.74 0.40 0.46 -0.47 0.02 0.00 0.00 175.26 176.41 1s7l s TYR 161 N -0.23 3.17 -0.04 1.61 5.04 -1.26 0.20 117.35 125.84 1s7l s TYR 161 Ca -0.01 -0.16 -0.02 0.00 -2.44 0.00 0.00 57.07 54.45 1s7l s TYR 161 Cb -0.13 -2.91 0.02 0.00 0.35 0.00 0.00 41.96 39.29 1s7l s TYR 161 CO 0.02 -0.64 0.08 -0.51 -1.34 0.00 0.00 175.55 173.16 1s7l s LEU 162 N 2.25 1.23 -1.05 6.97 1.43 -0.28 -4.93 118.68 124.30 1s7l s LEU 162 Ca 0.15 0.16 -0.12 0.00 -1.03 0.00 0.00 54.13 53.28 1s7l s LEU 162 Cb -0.16 0.18 -0.03 0.00 0.03 0.00 0.00 46.19 46.20 1s7l s LEU 162 CO 0.14 -0.09 0.83 0.59 0.23 0.00 0.00 176.35 178.05 1s7l n ASN 163 N 3.74 -6.08 -1.99 2.29 5.03 -1.26 -2.74 115.26 114.24 1s7l n ASN 163 Ca -0.21 -0.81 -0.12 0.00 0.87 0.00 0.00 54.58 54.31 1s7l n ASN 163 Cb 0.54 -4.23 -0.02 0.00 -1.02 0.00 0.00 39.78 35.05 1s7l n ASN 163 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1s7l n GLY 164 N -1.51 0.19 3.47 7.41 0.00 -1.26 -4.92 105.19 108.57 1s7l n GLY 164 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1s7l n GLY 164 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1s7l s ASP 165 N -2.03 -0.46 -0.08 1.61 -1.08 -1.11 -5.16 116.67 108.37 1s7l s ASP 165 Ca 0.00 -0.16 -0.14 0.00 -0.52 0.00 0.00 52.55 51.73 1s7l s ASP 165 Cb 0.00 0.60 -0.05 0.00 -1.46 0.00 0.00 42.92 42.01 1s7l s ASP 165 CO 0.00 -1.01 0.36 -0.31 0.52 0.00 0.00 175.17 174.73 1s7l s TYR 166 N -3.79 3.61 0.06 -5.34 2.02 -1.26 -1.13 117.35 111.52 1s7l s TYR 166 Ca 0.03 0.82 0.09 0.00 -0.37 0.00 0.00 57.07 57.64 1s7l s TYR 166 Cb -0.01 -2.31 -0.03 0.00 -0.40 0.00 0.00 41.96 39.21 1s7l s TYR 166 CO -0.10 0.47 -0.24 -1.01 -1.57 0.00 0.00 175.55 173.11 1s7l s HIS 167 N -0.38 2.07 0.19 2.71 3.76 0.13 -4.83 115.29 118.94 1s7l s HIS 167 Ca 0.21 -0.39 -0.30 0.00 -0.15 0.00 0.00 55.06 54.42 1s7l s HIS 167 Cb -0.15 -1.21 -0.09 0.00 1.11 0.00 0.00 32.58 32.24 1s7l s HIS 167 CO 0.09 0.15 1.33 -0.51 -0.85 0.00 0.00 174.74 174.95 1s7l s ASP 168 N -1.39 6.87 -0.15 1.40 1.11 -1.26 -1.29 116.67 121.95 1s7l s ASP 168 Ca 0.10 2.41 -0.00 0.00 0.18 0.00 0.00 52.55 55.23 1s7l s ASP 168 Cb -0.10 -2.61 -0.01 0.00 1.07 0.00 0.00 42.92 41.28 1s7l s ASP 168 CO 0.03 -0.56 -0.14 -0.69 1.18 0.00 0.00 175.17 174.99 1s7l s VAL 169 N 0.27 2.83 0.32 -1.27 1.01 0.89 -0.60 120.40 123.86 1s7l s VAL 169 Ca 0.58 -0.72 -0.25 0.00 0.00 0.00 0.00 61.98 61.59 1s7l s VAL 169 Cb -0.37 -2.20 -0.10 0.00 0.00 0.00 0.00 36.38 33.72 1s7l s VAL 169 CO 0.37 0.51 0.91 0.20 0.00 0.00 0.00 175.10 177.10 1s7l s ASN 170 N 0.68 7.26 -0.29 3.32 0.01 0.42 -0.12 114.94 126.23 1s7l s ASN 170 Ca -0.07 1.76 -0.02 0.00 -0.71 0.00 0.00 52.86 53.83 1s7l s ASN 170 Cb -0.16 -2.55 0.05 0.00 0.41 0.00 0.00 41.25 39.00 1s7l s ASN 170 CO 0.02 -0.08 -0.01 -0.32 -1.51 0.00 0.00 177.10 175.20 1s7l s MET 171 N -2.14 2.48 -0.11 -0.60 -2.45 -0.21 -2.49 119.30 113.78 1s7l s MET 171 Ca 0.50 -1.23 -0.06 0.00 -1.25 0.00 0.00 55.69 53.65 1s7l s MET 171 Cb -0.17 -3.15 -0.04 0.00 1.25 0.00 0.00 34.83 32.72 1s7l s MET 171 CO 0.22 -0.59 0.11 0.71 1.05 0.00 0.00 175.02 176.53 1s7l s TYR 172 N 1.26 3.51 0.04 4.11 2.02 0.14 -0.29 117.35 128.14 1s7l s TYR 172 Ca -0.05 0.46 -0.03 0.00 -0.37 0.00 0.00 57.07 57.08 1s7l s TYR 172 Cb -0.19 -1.91 -0.03 0.00 -0.40 0.00 0.00 41.96 39.43 1s7l s TYR 172 CO -0.02 0.68 0.02 0.00 -1.57 0.00 0.00 175.55 174.67 1s7l s ALA 173 N -1.01 0.22 -0.09 3.71 0.00 0.46 -0.28 121.76 124.77 1s7l s ALA 173 Ca 0.15 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.19 1s7l s ALA 173 Cb -0.12 0.26 0.03 0.00 0.00 0.00 0.00 23.12 23.29 1s7l s ALA 173 CO 0.04 -0.33 0.21 0.50 0.00 0.00 0.00 175.76 176.19 1s7l s ARG 174 N -3.08 0.20 -0.16 0.00 3.52 -0.35 0.52 118.95 119.59 1s7l s ARG 174 Ca -0.01 0.40 -0.04 0.00 -0.13 0.00 0.00 55.73 55.95 1s7l s ARG 174 Cb 0.02 -0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.35 1s7l s ARG 174 CO -0.07 -0.11 -0.03 0.42 -0.81 0.00 0.00 175.30 174.70 1s7l s ILE 175 N 0.76 3.94 -0.18 4.11 1.01 -1.26 -0.69 121.20 128.89 1s7l s ILE 175 Ca -0.05 -0.34 -0.00 0.00 0.00 0.00 0.00 60.65 60.25 1s7l s ILE 175 Cb -0.07 -2.73 0.04 0.00 0.01 0.00 0.00 42.46 39.72 1s7l s ILE 175 CO -0.04 0.49 -0.05 -0.63 0.00 0.00 0.00 174.94 174.71 1s7l s ILE 176 N 0.36 1.15 -0.53 2.92 1.01 0.31 -5.00 121.20 121.43 1s7l s ILE 176 Ca -0.04 -0.70 -0.11 0.00 0.00 0.00 0.00 60.65 59.80 1s7l s ILE 176 Cb -0.14 -1.35 0.14 0.00 0.01 0.00 0.00 42.46 41.12 1s7l s ILE 176 CO 0.03 0.09 0.43 -1.81 0.00 0.00 0.00 174.94 173.68 1s7l s ASP 177 N 1.61 5.88 -1.28 3.58 1.01 -1.26 -4.56 116.67 121.64 1s7l s ASP 177 Ca -0.00 -2.04 -0.14 0.00 0.71 0.00 0.00 52.55 51.07 1s7l s ASP 177 Cb -0.16 -2.06 0.12 0.00 1.01 0.00 0.00 42.92 41.83 1s7l s ASP 177 CO -0.08 -0.69 1.71 0.00 0.21 0.00 0.00 175.17 176.32 1s7l n ALA 178 N 4.77 4.23 1.72 5.23 0.00 -1.26 -5.11 120.51 130.10 1s7l n ALA 178 Ca -0.06 -4.08 0.15 0.00 0.00 0.00 0.00 53.44 49.45 1s7l n ALA 178 Cb 0.41 -3.28 0.72 0.00 0.00 0.00 0.00 19.45 17.29 1s7l n ALA 178 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25