#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ids s GLU 3 N 0.00 -0.27 0.34 0.00 2.02 -1.26 -5.01 118.70 114.52 1ids s GLU 3 Ca 0.00 0.54 -0.15 0.00 0.02 0.00 0.00 54.97 55.38 1ids s GLU 3 Cb 0.00 -1.65 -0.09 0.00 0.10 0.00 0.00 34.13 32.49 1ids s GLU 3 CO 0.00 -3.21 0.75 0.71 0.02 0.00 0.00 175.26 173.53 1ids s TYR 4 N -2.80 3.38 0.09 1.61 2.02 -1.26 -5.07 117.35 115.33 1ids s TYR 4 Ca 0.67 1.21 0.03 0.00 -0.37 0.00 0.00 57.07 58.61 1ids s TYR 4 Cb -0.20 -2.54 -0.03 0.00 -0.40 0.00 0.00 41.96 38.79 1ids s TYR 4 CO 0.60 0.06 -0.10 0.95 -1.57 0.00 0.00 175.55 175.49 1ids s THR 5 N -2.05 0.86 -0.34 -0.71 -4.23 -1.26 -4.93 115.64 102.98 1ids s THR 5 Ca 0.54 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 59.20 1ids s THR 5 Cb -0.10 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.49 1ids s THR 5 CO 0.19 -0.54 1.04 -0.22 -0.54 0.00 0.00 174.62 174.55 1ids s LEU 6 N -2.33 3.92 0.70 4.79 2.96 -1.26 -5.02 118.68 122.44 1ids s LEU 6 Ca 0.03 0.89 -0.12 0.00 -0.22 0.00 0.00 54.13 54.71 1ids s LEU 6 Cb -0.04 -3.47 0.02 0.00 0.50 0.00 0.00 46.19 43.20 1ids s LEU 6 CO -0.00 -0.91 1.07 -2.16 -1.32 0.00 0.00 176.35 173.04 1ids s PRO 7 N 3.68 2.75 0.29 0.98 0.04 -1.26 -5.03 135.00 136.45 1ids s PRO 7 Ca 0.44 1.10 -0.16 0.00 0.04 0.00 0.00 61.00 62.42 1ids s PRO 7 Cb -0.12 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.38 1ids s PRO 7 CO 0.18 -1.26 0.72 -0.51 0.04 0.00 0.00 177.00 176.18 1ids s ASP 8 N -3.41 6.85 0.42 6.66 1.01 -1.26 -5.05 116.67 121.89 1ids s ASP 8 Ca 0.61 1.31 -0.23 0.00 0.71 0.00 0.00 52.55 54.94 1ids s ASP 8 Cb -0.16 -2.38 -0.09 0.00 1.01 0.00 0.00 42.92 41.30 1ids s ASP 8 CO 0.52 -0.13 1.05 -0.76 0.21 0.00 0.00 175.17 176.06 1ids s LEU 9 N -2.66 4.07 0.00 1.23 1.43 -1.26 -4.92 118.68 116.57 1ids s LEU 9 Ca 0.50 2.01 0.14 0.00 -1.03 0.00 0.00 54.13 55.75 1ids s LEU 9 Cb -0.12 -4.28 0.43 0.00 0.03 0.00 0.00 46.19 42.25 1ids s LEU 9 CO 0.19 -0.56 1.34 0.47 0.23 0.00 0.00 176.35 178.02 1ids n ASP 10 N -0.29 1.97 -3.72 2.29 8.00 -1.26 -4.87 116.55 118.67 1ids n ASP 10 Ca 0.06 -1.93 -0.10 0.00 0.71 0.00 0.00 54.79 53.53 1ids n ASP 10 Cb 0.50 -0.22 -0.05 0.00 -0.02 0.00 0.00 41.12 41.34 1ids n ASP 10 CO 0.00 0.00 0.00 -1.66 -0.39 0.00 0.00 177.20 175.15 1ids s TRP 11 N -1.56 -0.08 0.51 1.24 1.48 -1.26 -5.10 118.94 114.17 1ids s TRP 11 Ca 0.27 -0.25 -0.21 0.00 -1.06 0.00 0.00 56.10 54.85 1ids s TRP 11 Cb 0.14 0.26 -0.06 0.00 -1.16 0.00 0.00 33.47 32.65 1ids s TRP 11 CO 0.20 -0.78 1.15 0.34 -4.06 0.00 0.00 176.95 173.79 1ids s ASP 12 N -2.85 5.88 0.42 -2.66 -1.08 -1.26 -4.92 116.67 110.20 1ids s ASP 12 Ca 0.07 2.25 0.20 0.00 -0.52 0.00 0.00 52.55 54.55 1ids s ASP 12 Cb 0.01 -2.59 1.14 0.00 -1.46 0.00 0.00 42.92 40.02 1ids s ASP 12 CO -0.07 -1.11 1.81 1.88 0.52 0.00 0.00 175.17 178.20 1ids h TYR 13 N 1.54 0.53 -0.69 -5.34 0.05 -1.97 -1.22 116.97 109.88 1ids h TYR 13 Ca -0.50 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.30 1ids h TYR 13 Cb 1.26 -0.16 0.00 0.00 1.01 0.00 0.00 36.73 38.84 1ids h TYR 13 CO 0.52 0.09 0.00 0.41 -1.05 0.00 0.00 178.16 178.13 1ids n GLY 14 N -1.52 2.26 0.28 3.88 0.00 -1.26 -3.96 105.19 104.86 1ids n GLY 14 Ca 0.22 -0.75 0.16 0.00 0.00 0.00 0.00 46.02 45.65 1ids n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ids h ALA 15 N 4.27 1.11 -0.00 4.61 0.00 -1.57 -2.87 119.26 124.80 1ids h ALA 15 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1ids h ALA 15 Cb 0.94 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1ids h ALA 15 CO 0.01 0.08 -0.31 1.28 0.00 0.00 0.00 179.25 180.31 1ids n LEU 16 N -3.33 0.70 -4.73 0.00 4.77 -1.26 -4.65 117.00 108.50 1ids n LEU 16 Ca -0.01 -0.09 -0.36 0.00 -0.03 0.00 0.00 56.01 55.52 1ids n LEU 16 Cb 0.24 -0.20 0.07 0.00 -2.33 0.00 0.00 43.42 41.19 1ids n LEU 16 CO 0.27 0.14 0.88 -1.61 -1.33 0.00 0.00 177.39 175.75 1ids s GLU 17 N -2.71 2.58 0.00 3.23 2.02 -1.09 -1.84 118.70 120.89 1ids s GLU 17 Ca 0.19 1.99 0.25 0.00 0.02 0.00 0.00 54.97 57.43 1ids s GLU 17 Cb 0.19 -1.86 0.97 0.00 0.10 0.00 0.00 34.13 33.53 1ids s GLU 17 CO 0.58 -1.56 1.69 -0.35 0.02 0.00 0.00 175.26 175.64 1ids n PRO 18 N -1.94 1.66 -0.30 0.39 -0.04 -1.26 -4.84 135.00 128.68 1ids n PRO 18 Ca 0.15 -0.97 -0.05 0.00 -0.04 0.00 0.00 63.50 62.59 1ids n PRO 18 Cb 0.49 -1.45 0.07 0.00 -0.04 0.00 0.00 33.50 32.57 1ids n PRO 18 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1ids h HIS 19 N 2.20 1.17 -3.27 0.54 3.86 -1.72 -3.41 115.15 114.52 1ids h HIS 19 Ca 0.00 -0.06 -0.40 0.00 -1.16 0.00 0.00 60.37 58.75 1ids h HIS 19 Cb 0.47 -0.36 -0.39 0.00 1.06 0.00 0.00 27.41 28.19 1ids h HIS 19 CO 0.04 0.86 -0.75 0.42 0.86 0.00 0.00 177.93 179.36 1ids s ILE 20 N -5.67 0.01 0.57 2.45 1.01 -1.03 -4.89 121.20 113.64 1ids s ILE 20 Ca -0.13 0.29 -0.21 0.00 0.00 0.00 0.00 60.65 60.61 1ids s ILE 20 Cb 0.16 -0.29 -0.04 0.00 0.01 0.00 0.00 42.46 42.30 1ids s ILE 20 CO 0.83 0.15 1.34 -0.94 0.00 0.00 0.00 174.94 176.31 1ids s SER 21 N 2.12 5.15 0.40 3.58 1.04 -1.26 -2.78 113.70 121.95 1ids s SER 21 Ca 0.05 2.72 0.18 0.00 0.48 0.00 0.00 55.95 59.37 1ids s SER 21 Cb -0.13 -2.63 0.85 0.00 0.10 0.00 0.00 66.02 64.22 1ids s SER 21 CO -0.04 -1.65 1.84 1.23 0.98 0.00 0.00 173.24 175.60 1ids h GLY 22 N 1.27 0.00 0.97 7.32 0.00 -1.88 -2.53 103.07 108.22 1ids h GLY 22 Ca -0.51 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 46.74 1ids h GLY 22 CO 0.56 0.00 -0.10 -1.61 0.00 0.00 0.00 176.54 175.39 1ids h GLN 23 N 0.00 0.74 -0.19 4.80 4.15 -1.91 -1.12 115.11 121.58 1ids h GLN 23 Ca -0.00 -0.29 -0.04 0.00 0.77 0.00 0.00 58.65 59.09 1ids h GLN 23 Cb 0.68 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.33 1ids h GLN 23 CO 0.04 0.89 -0.05 0.82 -1.93 0.00 0.00 178.83 178.60 1ids h ILE 24 N 0.54 1.29 -0.86 2.39 2.04 -1.90 -2.41 117.51 118.59 1ids h ILE 24 Ca 0.09 -1.03 0.07 0.00 1.00 0.00 0.00 64.86 65.00 1ids h ILE 24 Cb 0.62 1.57 -0.07 0.00 -0.74 0.00 0.00 36.82 38.21 1ids h ILE 24 CO 0.04 0.31 0.53 0.78 0.00 0.00 0.00 178.15 179.81 1ids h ASN 25 N 0.09 0.81 0.50 1.72 2.35 -1.39 0.30 115.58 119.97 1ids h ASN 25 Ca 0.05 0.03 -0.02 0.00 -0.55 0.00 0.00 56.30 55.80 1ids h ASN 25 Cb 0.50 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.73 1ids h ASN 25 CO 0.02 0.50 -0.24 -0.08 -1.65 0.00 0.00 177.43 175.98 1ids h GLU 26 N 0.93 -0.65 -0.01 0.81 4.81 -1.10 -2.03 114.58 117.34 1ids h GLU 26 Ca 0.39 0.04 0.02 0.00 -0.13 0.00 0.00 59.36 59.69 1ids h GLU 26 Cb 0.24 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 1ids h GLU 26 CO -0.20 -0.36 -0.13 -0.07 -0.73 0.00 0.00 179.01 177.53 1ids h LEU 27 N -0.87 -0.37 -0.58 1.64 3.38 -1.25 -0.60 115.31 116.66 1ids h LEU 27 Ca -0.07 0.06 0.12 0.00 0.09 0.00 0.00 57.88 58.08 1ids h LEU 27 Cb 0.59 0.16 -0.11 0.00 0.09 0.00 0.00 40.66 41.40 1ids h LEU 27 CO 0.11 -0.18 -0.10 -0.74 0.09 0.00 0.00 178.44 177.62 1ids h HIS 28 N -0.21 -0.23 0.10 1.13 2.76 -0.96 0.27 115.15 118.00 1ids h HIS 28 Ca 0.05 0.05 -0.01 0.00 -2.20 0.00 0.00 60.37 58.26 1ids h HIS 28 Cb 0.27 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.43 1ids h HIS 28 CO -0.19 -0.22 -0.05 1.25 -1.30 0.00 0.00 177.93 177.42 1ids h HIS 29 N 0.03 -0.13 0.00 5.26 -0.00 -1.21 -0.15 115.15 118.95 1ids h HIS 29 Ca 0.28 -0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.60 1ids h HIS 29 Cb 0.44 0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1ids h HIS 29 CO -0.44 -0.08 -0.23 0.66 -0.00 0.00 0.00 177.93 177.84 1ids h SER 30 N -0.55 0.00 0.00 3.26 4.64 -1.16 -2.99 113.55 116.76 1ids h SER 30 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1ids h SER 30 Cb 0.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 1ids h SER 30 CO 0.02 0.23 -0.40 0.29 -0.87 0.00 0.00 176.83 176.10 1ids n LYS 31 N -3.53 0.21 0.41 4.77 4.76 0.89 -4.49 118.16 121.19 1ids n LYS 31 Ca -0.01 0.08 -0.16 0.00 -2.87 0.00 0.00 58.31 55.36 1ids n LYS 31 Cb 0.38 -0.81 -0.08 0.00 -1.84 0.00 0.00 35.03 32.69 1ids n LYS 31 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1ids h HIS 32 N -0.40 -0.98 -0.62 2.13 3.86 -1.34 -2.57 115.15 115.21 1ids h HIS 32 Ca 0.00 -0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.25 1ids h HIS 32 Cb 0.40 0.32 -0.06 0.00 1.06 0.00 0.00 27.41 29.14 1ids h HIS 32 CO -0.17 -0.61 0.32 1.25 0.86 0.00 0.00 177.93 179.57 1ids h HIS 33 N -1.15 0.58 -0.46 2.45 -0.00 -1.08 -1.31 115.15 114.18 1ids h HIS 33 Ca -0.11 0.03 0.06 0.00 -0.00 0.00 0.00 60.37 60.35 1ids h HIS 33 Cb 0.81 -0.17 -0.03 0.00 -0.00 0.00 0.00 27.41 28.03 1ids h HIS 33 CO 0.03 0.25 0.31 0.00 -0.00 0.00 0.00 177.93 178.52 1ids h ALA 34 N 1.35 1.95 -0.63 5.26 0.00 -1.56 -1.87 119.26 123.77 1ids h ALA 34 Ca 0.29 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 1ids h ALA 34 Cb 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1ids h ALA 34 CO -0.21 -0.04 0.06 1.15 0.00 0.00 0.00 179.25 180.21 1ids h THR 35 N 0.37 1.26 -0.22 0.00 2.02 -0.81 -2.10 112.91 113.43 1ids h THR 35 Ca 0.20 -1.08 -0.16 0.00 0.77 0.00 0.00 66.41 66.15 1ids h THR 35 Cb 0.32 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 1ids h THR 35 CO -0.05 0.40 -0.50 1.88 0.37 0.00 0.00 175.52 177.62 1ids h TYR 36 N 0.98 0.76 -0.13 3.16 0.05 -1.18 -0.20 116.97 120.41 1ids h TYR 36 Ca 0.19 -0.25 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1ids h TYR 36 Cb 0.49 -0.15 -0.01 0.00 1.01 0.00 0.00 36.73 38.07 1ids h TYR 36 CO 0.03 0.99 0.03 0.28 -1.05 0.00 0.00 178.16 178.44 1ids h VAL 37 N 0.48 1.21 -0.58 -2.88 2.07 -1.33 0.26 116.25 115.48 1ids h VAL 37 Ca 0.02 -0.65 -0.05 0.00 0.82 0.00 0.00 66.70 66.84 1ids h VAL 37 Cb 1.04 1.40 -0.03 0.00 -1.52 0.00 0.00 31.29 32.18 1ids h VAL 37 CO 0.10 0.19 0.17 0.50 0.02 0.00 0.00 177.57 178.55 1ids h LYS 38 N -0.00 0.88 -0.14 1.57 1.63 -1.32 -2.50 116.57 116.69 1ids h LYS 38 Ca 0.04 -0.17 -0.13 0.00 -0.85 0.00 0.00 60.65 59.54 1ids h LYS 38 Cb 0.27 -0.14 -0.01 0.00 -0.60 0.00 0.00 32.23 31.75 1ids h LYS 38 CO 0.00 0.77 -0.48 0.78 -3.45 0.00 0.00 179.45 177.07 1ids h GLY 39 N 0.99 0.38 1.50 5.01 0.00 -0.64 -1.91 103.07 108.40 1ids h GLY 39 Ca 0.19 -0.40 -0.19 0.00 0.00 0.00 0.00 47.33 46.92 1ids h GLY 39 CO -0.01 0.36 -0.74 0.00 0.00 0.00 0.00 176.54 176.15 1ids h ALA 40 N 1.21 0.53 -0.12 3.60 0.00 -0.71 -1.84 119.26 121.93 1ids h ALA 40 Ca 0.02 -0.61 -0.11 0.00 0.00 0.00 0.00 54.91 54.21 1ids h ALA 40 Cb 0.95 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1ids h ALA 40 CO 0.08 0.75 -0.40 -0.91 0.00 0.00 0.00 179.25 178.77 1ids h ASN 41 N 0.33 0.28 0.01 0.00 2.35 -1.41 -1.54 115.58 115.61 1ids h ASN 41 Ca -0.04 -0.11 -0.24 0.00 -0.55 0.00 0.00 56.30 55.36 1ids h ASN 41 Cb 1.33 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 39.64 1ids h ASN 41 CO 0.13 0.65 -0.90 0.44 -1.65 0.00 0.00 177.43 176.10 1ids h ASP 42 N 0.23 0.84 -0.35 5.81 5.19 -1.25 -2.48 116.42 124.40 1ids h ASP 42 Ca 0.02 -0.61 -0.05 0.00 -0.62 0.00 0.00 57.03 55.76 1ids h ASP 42 Cb 0.80 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 40.05 1ids h ASP 42 CO 0.06 1.41 0.01 0.00 -3.12 0.00 0.00 179.24 177.60 1ids h ALA 43 N 0.56 0.48 -0.25 3.45 0.00 -1.16 -0.47 119.26 121.86 1ids h ALA 43 Ca -0.09 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ids h ALA 43 Cb 1.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 19.18 1ids h ALA 43 CO 0.18 0.23 0.15 0.28 0.00 0.00 0.00 179.25 180.09 1ids h VAL 44 N 0.43 1.03 -0.54 0.00 2.07 -1.33 -1.61 116.25 116.30 1ids h VAL 44 Ca 0.10 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1ids h VAL 44 Cb 0.45 0.70 -0.02 0.00 -1.52 0.00 0.00 31.29 30.89 1ids h VAL 44 CO 0.02 0.06 0.20 0.00 0.02 0.00 0.00 177.57 177.86 1ids h ALA 45 N 1.11 0.70 -1.00 1.67 0.00 -1.34 -2.21 119.26 118.20 1ids h ALA 45 Ca 0.10 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 54.92 1ids h ALA 45 Cb -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 1ids h ALA 45 CO -0.05 0.33 0.64 0.87 0.00 0.00 0.00 179.25 181.04 1ids h LYS 46 N 0.73 1.09 -0.02 0.00 1.79 -0.71 -1.21 116.57 118.24 1ids h LYS 46 Ca 0.18 -0.07 -0.14 0.00 -2.18 0.00 0.00 60.65 58.44 1ids h LYS 46 Cb 0.23 -0.24 -0.02 0.00 -1.58 0.00 0.00 32.23 30.61 1ids h LYS 46 CO -0.01 0.72 -0.63 -0.07 -1.08 0.00 0.00 179.45 178.38 1ids h LEU 47 N 1.12 0.11 -0.25 2.94 3.38 -1.01 -1.80 115.31 119.80 1ids h LEU 47 Ca 0.45 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.32 1ids h LEU 47 Cb 0.26 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1ids h LEU 47 CO -0.20 0.71 0.04 -0.33 0.09 0.00 0.00 178.44 178.75 1ids h GLU 48 N 0.07 0.41 -0.66 1.13 5.08 -0.64 -1.95 114.58 118.02 1ids h GLU 48 Ca -0.01 -0.11 -0.08 0.00 -1.00 0.00 0.00 59.36 58.17 1ids h GLU 48 Cb 1.13 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 30.30 1ids h GLU 48 CO 0.09 0.53 0.11 1.49 -1.00 0.00 0.00 179.01 180.23 1ids h GLU 49 N 0.22 1.08 -0.55 2.33 4.81 -1.28 -0.43 114.58 120.77 1ids h GLU 49 Ca 0.08 -0.29 -0.06 0.00 -0.13 0.00 0.00 59.36 58.96 1ids h GLU 49 Cb 0.32 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 1ids h GLU 49 CO 0.00 0.99 0.08 0.00 -0.73 0.00 0.00 179.01 179.36 1ids h ALA 50 N 1.09 1.11 -0.10 2.92 0.00 -1.17 0.17 119.26 123.29 1ids h ALA 50 Ca 0.20 -0.24 -0.19 0.00 0.00 0.00 0.00 54.91 54.68 1ids h ALA 50 Cb 0.44 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ids h ALA 50 CO 0.01 0.58 -0.73 0.00 0.00 0.00 0.00 179.25 179.11 1ids h ARG 51 N 0.83 0.48 -0.21 0.00 3.08 -1.07 0.66 114.38 118.14 1ids h ARG 51 Ca 0.17 -0.39 -0.17 0.00 0.07 0.00 0.00 59.98 59.67 1ids h ARG 51 Cb 0.38 0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.50 1ids h ARG 51 CO 0.01 1.02 -0.55 0.00 -1.07 0.00 0.00 179.97 179.37 1ids h ALA 52 N 0.87 0.62 -0.01 0.04 0.00 -0.71 -3.03 119.26 117.05 1ids h ALA 52 Ca -0.03 -0.52 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1ids h ALA 52 Cb 1.31 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1ids h ALA 52 CO 0.13 0.69 -0.19 1.63 0.00 0.00 0.00 179.25 181.51 1ids n LYS 53 N -3.97 0.85 -3.82 0.00 5.02 0.02 -4.94 118.16 111.32 1ids n LYS 53 Ca -0.04 -0.43 -0.28 0.00 -2.02 0.00 0.00 58.31 55.54 1ids n LYS 53 Cb 0.62 -1.49 0.04 0.00 -0.02 0.00 0.00 35.03 34.17 1ids n LYS 53 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1ids n GLU 54 N -0.70 -5.87 -3.84 1.97 1.02 -0.49 -4.97 120.64 107.76 1ids n GLU 54 Ca 0.14 0.64 -0.29 0.00 -0.02 0.00 0.00 57.16 57.63 1ids n GLU 54 Cb 0.32 -5.52 -0.16 0.00 -0.02 0.00 0.00 31.44 26.07 1ids n GLU 54 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1ids s ASP 55 N -3.50 3.43 -0.33 1.62 2.15 0.11 -5.00 116.67 115.14 1ids s ASP 55 Ca 0.54 -1.03 0.07 0.00 0.43 0.00 0.00 52.55 52.56 1ids s ASP 55 Cb -0.26 -0.91 0.47 0.00 -0.30 0.00 0.00 42.92 41.92 1ids s ASP 55 CO 0.81 -0.27 1.40 1.41 -0.17 0.00 0.00 175.17 178.35 1ids n HIS 56 N 4.85 1.92 0.22 -5.34 8.25 -1.26 -4.62 115.22 119.24 1ids n HIS 56 Ca -0.10 -2.05 0.07 0.00 -0.26 0.00 0.00 57.72 55.38 1ids n HIS 56 Cb 0.45 -0.53 0.51 0.00 1.12 0.00 0.00 29.99 31.54 1ids n HIS 56 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 1ids h SER 57 N 1.62 0.00 -0.52 0.41 4.64 -1.96 -2.74 113.55 115.00 1ids h SER 57 Ca 0.31 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.34 1ids h SER 57 Cb 1.41 0.00 -0.17 0.00 -0.31 0.00 0.00 62.40 63.33 1ids h SER 57 CO 0.66 0.25 0.06 0.00 -0.87 0.00 0.00 176.83 176.92 1ids n ALA 58 N -2.40 4.72 -0.27 5.18 0.00 -1.26 -4.75 120.51 121.74 1ids n ALA 58 Ca -0.02 -3.16 0.07 0.00 0.00 0.00 0.00 53.44 50.33 1ids n ALA 58 Cb 0.33 -0.90 0.31 0.00 0.00 0.00 0.00 19.45 19.18 1ids n ALA 58 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 1ids h ILE 59 N 1.06 0.98 -0.51 0.00 6.09 -1.84 -1.89 117.51 121.40 1ids h ILE 59 Ca 0.33 -0.30 -0.05 0.00 -1.37 0.00 0.00 64.86 63.47 1ids h ILE 59 Cb 1.84 0.04 -0.02 0.00 0.47 0.00 0.00 36.82 39.15 1ids h ILE 59 CO 0.60 0.16 0.11 0.25 -3.07 0.00 0.00 178.15 176.20 1ids h LEU 60 N 0.86 0.78 -0.31 2.19 6.46 -1.86 -2.00 115.31 121.42 1ids h LEU 60 Ca 0.39 -0.24 -0.10 0.00 -0.12 0.00 0.00 57.88 57.81 1ids h LEU 60 Cb 0.38 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 1ids h LEU 60 CO -0.16 0.81 -0.20 0.25 -0.62 0.00 0.00 178.44 178.52 1ids h LEU 61 N 0.70 0.72 -0.88 2.25 5.85 -1.83 -2.52 115.31 119.60 1ids h LEU 61 Ca 0.16 -0.43 -0.10 0.00 0.84 0.00 0.00 57.88 58.35 1ids h LEU 61 Cb 0.35 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1ids h LEU 61 CO 0.00 0.99 -0.22 0.78 -0.34 0.00 0.00 178.44 179.66 1ids h ASN 62 N 0.45 0.58 0.66 1.25 -0.26 -1.30 -0.84 115.58 116.13 1ids h ASN 62 Ca 0.06 -0.19 -0.15 0.00 -0.56 0.00 0.00 56.30 55.46 1ids h ASN 62 Cb 0.75 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.83 1ids h ASN 62 CO 0.06 0.80 -0.71 -0.33 -1.06 0.00 0.00 177.43 176.18 1ids h GLU 63 N 0.51 0.04 -0.02 0.81 4.39 -1.35 -2.02 114.58 116.95 1ids h GLU 63 Ca 0.08 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.59 1ids h GLU 63 Cb 0.66 0.01 0.01 0.00 -0.10 0.00 0.00 28.75 29.33 1ids h GLU 63 CO 0.05 0.73 -0.57 -0.22 -1.16 0.00 0.00 179.01 177.84 1ids h LYS 64 N 0.03 0.42 -0.70 2.33 3.64 -1.20 -2.01 116.57 119.07 1ids h LYS 64 Ca -0.01 -0.43 -0.07 0.00 -1.27 0.00 0.00 60.65 58.87 1ids h LYS 64 Cb 1.26 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 33.17 1ids h LYS 64 CO 0.10 1.08 0.17 -0.91 -2.27 0.00 0.00 179.45 177.62 1ids h ASN 65 N -0.07 1.06 0.31 4.20 2.35 -1.19 -0.89 115.58 121.35 1ids h ASN 65 Ca -0.07 -0.22 -0.02 0.00 -0.55 0.00 0.00 56.30 55.45 1ids h ASN 65 Cb 1.27 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.36 1ids h ASN 65 CO 0.11 1.01 -0.15 0.25 -1.65 0.00 0.00 177.43 177.00 1ids h LEU 66 N 1.06 -0.35 -0.11 1.61 5.85 -1.41 -1.94 115.31 120.02 1ids h LEU 66 Ca 0.22 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.80 1ids h LEU 66 Cb 0.37 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1ids h LEU 66 CO 0.00 0.01 -0.08 0.00 -0.34 0.00 0.00 178.44 178.04 1ids h ALA 67 N -0.23 0.01 0.01 1.25 0.00 -1.31 0.78 119.26 119.76 1ids h ALA 67 Ca -0.04 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ids h ALA 67 Cb 0.51 0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ids h ALA 67 CO 0.07 -0.54 -0.00 0.35 0.00 0.00 0.00 179.25 179.13 1ids h PHE 68 N -0.09 -0.01 -0.06 0.00 3.57 -1.23 -1.77 116.94 117.35 1ids h PHE 68 Ca 0.07 -0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.33 1ids h PHE 68 Cb 0.19 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.94 1ids h PHE 68 CO -0.20 0.09 -0.90 -0.91 -2.23 0.00 0.00 178.31 174.17 1ids h ASN 69 N -0.11 0.82 -0.42 0.41 2.35 -1.32 -1.31 115.58 116.00 1ids h ASN 69 Ca -0.00 -0.60 -0.11 0.00 -0.55 0.00 0.00 56.30 55.03 1ids h ASN 69 Cb 0.11 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.21 1ids h ASN 69 CO 0.00 1.40 -0.16 0.25 -1.65 0.00 0.00 177.43 177.27 1ids h LEU 70 N 0.41 0.91 -0.77 1.61 5.85 -0.89 -0.86 115.31 121.57 1ids h LEU 70 Ca -0.08 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.20 1ids h LEU 70 Cb 1.54 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 42.31 1ids h LEU 70 CO 0.17 1.06 -0.42 0.00 -0.34 0.00 0.00 178.44 178.92 1ids h ALA 71 N 1.01 0.95 -0.51 1.25 0.00 -1.34 0.17 119.26 120.79 1ids h ALA 71 Ca 0.12 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1ids h ALA 71 Cb 0.70 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ids h ALA 71 CO 0.05 0.63 0.00 0.78 0.00 0.00 0.00 179.25 180.71 1ids h GLY 72 N 1.14 0.97 1.05 0.00 0.00 -0.91 -0.67 103.07 104.66 1ids h GLY 72 Ca 0.03 -0.71 -0.10 0.00 0.00 0.00 0.00 47.33 46.55 1ids h GLY 72 CO 0.07 0.66 -0.06 0.84 0.00 0.00 0.00 176.54 178.05 1ids h HIS 73 N 0.77 1.06 -0.39 5.60 6.17 -0.83 -2.54 115.15 124.98 1ids h HIS 73 Ca 0.14 -0.21 -0.10 0.00 0.71 0.00 0.00 60.37 60.91 1ids h HIS 73 Cb 0.52 -0.27 -0.01 0.00 2.52 0.00 0.00 27.41 30.17 1ids h HIS 73 CO 0.04 0.99 -0.16 0.28 0.71 0.00 0.00 177.93 179.79 1ids h VAL 74 N 0.82 1.28 -0.25 5.26 2.07 -0.48 -2.35 116.25 122.59 1ids h VAL 74 Ca 0.14 -1.28 -0.06 0.00 0.82 0.00 0.00 66.70 66.32 1ids h VAL 74 Cb 0.61 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1ids h VAL 74 CO 0.04 0.43 -0.09 0.78 0.02 0.00 0.00 177.57 178.74 1ids h ASN 75 N 0.61 0.52 0.19 0.57 2.35 -1.13 -2.88 115.58 115.81 1ids h ASN 75 Ca 0.09 -0.39 -0.12 0.00 -0.55 0.00 0.00 56.30 55.33 1ids h ASN 75 Cb 0.70 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.91 1ids h ASN 75 CO 0.05 0.79 -0.46 0.45 -1.65 0.00 0.00 177.43 176.61 1ids h HIS 76 N 0.25 0.40 -0.85 1.19 3.86 -1.50 -1.54 115.15 116.96 1ids h HIS 76 Ca 0.06 -0.12 -0.03 0.00 -1.16 0.00 0.00 60.37 59.12 1ids h HIS 76 Cb 0.58 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.93 1ids h HIS 76 CO 0.06 0.73 0.40 1.15 0.86 0.00 0.00 177.93 181.13 1ids h THR 77 N 0.27 1.26 -0.02 2.45 2.02 -1.41 -2.02 112.91 115.45 1ids h THR 77 Ca 0.02 -0.74 -0.21 0.00 0.77 0.00 0.00 66.41 66.25 1ids h THR 77 Cb 0.91 0.18 -0.00 0.00 -1.74 0.00 0.00 68.15 67.50 1ids h THR 77 CO 0.08 0.32 -0.88 0.40 0.37 0.00 0.00 175.52 175.81 1ids h ILE 78 N 1.21 1.40 -0.49 3.11 2.04 -1.32 -3.27 117.51 120.19 1ids h ILE 78 Ca 0.29 -2.37 0.04 0.00 1.00 0.00 0.00 64.86 63.82 1ids h ILE 78 Cb 0.13 2.33 -0.04 0.00 -0.74 0.00 0.00 36.82 38.50 1ids h ILE 78 CO -0.04 0.71 0.26 -0.25 0.00 0.00 0.00 178.15 178.83 1ids h TRP 79 N 0.24 0.48 -0.84 1.37 2.91 -0.97 -1.15 115.95 117.98 1ids h TRP 79 Ca -0.06 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 1ids h TRP 79 Cb 1.50 -0.14 -0.04 0.00 -0.51 0.00 0.00 29.16 29.96 1ids h TRP 79 CO 0.05 0.25 0.49 -1.49 -1.03 0.00 0.00 178.44 176.71 1ids h TRP 80 N 0.51 1.12 0.00 2.65 -0.00 -1.43 -2.69 115.95 116.12 1ids h TRP 80 Ca 0.21 -0.01 -0.05 0.00 -0.00 0.00 0.00 58.89 59.04 1ids h TRP 80 Cb 0.09 -0.36 -0.01 0.00 -0.00 0.00 0.00 29.16 28.88 1ids h TRP 80 CO -0.09 0.76 -0.23 0.87 -0.00 0.00 0.00 178.44 179.75 1ids h LYS 81 N 1.15 0.00 -0.00 0.49 1.79 -1.55 -3.19 116.57 115.27 1ids h LYS 81 Ca 0.30 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.77 1ids h LYS 81 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1ids h LYS 81 CO -0.05 0.23 -0.11 0.09 -1.08 0.00 0.00 179.45 178.52 1ids n ASN 82 N -3.24 0.37 -4.65 0.86 5.03 -0.46 -4.71 115.26 108.45 1ids n ASN 82 Ca 0.02 -0.41 -0.30 0.00 0.87 0.00 0.00 54.58 54.76 1ids n ASN 82 Cb 0.53 -0.12 -0.09 0.00 -1.02 0.00 0.00 39.78 39.09 1ids n ASN 82 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 1ids s LEU 83 N -2.56 3.33 -0.22 3.41 1.43 -1.19 0.28 118.68 123.15 1ids s LEU 83 Ca 0.27 -0.23 -0.27 0.00 -1.03 0.00 0.00 54.13 52.87 1ids s LEU 83 Cb 0.20 -2.06 0.09 0.00 0.03 0.00 0.00 46.19 44.44 1ids s LEU 83 CO 0.49 0.19 0.81 -0.55 0.23 0.00 0.00 176.35 177.52 1ids s SER 84 N -2.21 -0.63 0.49 2.29 0.15 -0.04 -4.65 113.70 109.10 1ids s SER 84 Ca 0.24 1.09 0.28 0.00 0.70 0.00 0.00 55.95 58.25 1ids s SER 84 Cb -0.11 1.06 0.85 0.00 -1.71 0.00 0.00 66.02 66.10 1ids s SER 84 CO 0.16 -0.30 1.79 -0.65 1.20 0.00 0.00 173.24 175.45 1ids h PRO 85 N 4.23 0.00 -1.50 5.44 0.11 -1.85 -3.10 132.00 135.33 1ids h PRO 85 Ca -0.28 0.00 -0.64 0.00 0.11 0.00 0.00 66.00 65.19 1ids h PRO 85 Cb 1.16 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.90 1ids h PRO 85 CO 0.15 0.02 -0.13 0.09 -0.21 0.00 0.00 178.00 177.91 1ids n ASN 86 N -3.11 5.74 0.00 -2.05 3.02 -1.26 -4.98 115.26 112.63 1ids n ASN 86 Ca 0.02 -3.76 0.00 0.00 -0.03 0.00 0.00 54.58 50.81 1ids n ASN 86 Cb 0.42 -0.65 0.00 0.00 -0.61 0.00 0.00 39.78 38.95 1ids n ASN 86 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ids n GLY 87 N -0.56 6.19 4.55 7.41 0.00 -1.17 -5.03 105.19 116.59 1ids n GLY 87 Ca 0.46 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.83 1ids n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ids n GLY 88 N 1.93 -1.77 7.00 -0.02 0.00 0.16 -4.63 105.19 107.86 1ids n GLY 88 Ca 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 46.02 44.43 1ids n GLY 88 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ids n ASP 89 N 0.25 0.00 -3.84 1.61 9.92 -1.21 -4.86 116.55 118.42 1ids n ASP 89 Ca 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 54.79 54.16 1ids n ASP 89 Cb 0.00 0.00 -0.08 0.00 -0.64 0.00 0.00 41.12 40.40 1ids n ASP 89 CO 0.00 0.00 0.00 -0.54 0.13 0.00 0.00 177.20 176.79 1ids s LYS 90 N 0.00 0.74 0.61 -1.24 1.02 -1.26 -5.06 119.74 114.55 1ids s LYS 90 Ca 0.00 -0.70 -0.10 0.00 0.02 0.00 0.00 55.97 55.19 1ids s LYS 90 Cb 0.00 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.58 1ids s LYS 90 CO 0.00 -0.22 1.01 -1.25 -0.92 0.00 0.00 175.35 173.96 1ids s PRO 91 N -2.88 3.56 0.27 -1.68 0.04 -1.26 -5.01 135.00 128.04 1ids s PRO 91 Ca -0.03 0.68 0.02 0.00 0.04 0.00 0.00 61.00 61.71 1ids s PRO 91 Cb 0.00 -2.11 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 1ids s PRO 91 CO -0.06 -0.55 0.13 0.95 0.04 0.00 0.00 177.00 177.51 1ids s THR 92 N -3.14 0.36 0.00 1.26 -4.23 -1.26 -4.63 115.64 104.00 1ids s THR 92 Ca 0.54 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.05 1ids s THR 92 Cb -0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.17 1ids s THR 92 CO 0.53 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.22 1ids n GLY 93 N -0.49 3.86 0.29 3.99 0.00 -1.26 -3.47 105.19 108.11 1ids n GLY 93 Ca 0.01 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1ids n GLY 93 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ids h GLU 94 N 0.00 -0.40 -0.58 1.61 4.39 -1.99 -2.28 114.58 115.33 1ids h GLU 94 Ca 0.00 0.03 -0.06 0.00 0.34 0.00 0.00 59.36 59.67 1ids h GLU 94 Cb 0.00 0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.72 1ids h GLU 94 CO 0.00 -0.27 0.13 1.25 -1.16 0.00 0.00 179.01 178.97 1ids h LEU 95 N -0.42 0.84 -1.11 1.33 5.85 -1.92 0.22 115.31 120.10 1ids h LEU 95 Ca 0.00 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.64 1ids h LEU 95 Cb 0.44 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.18 1ids h LEU 95 CO -0.20 0.83 0.61 0.00 -0.34 0.00 0.00 178.44 179.33 1ids h ALA 96 N 1.28 1.52 -0.06 1.25 0.00 -1.56 0.41 119.26 122.11 1ids h ALA 96 Ca 0.19 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.96 1ids h ALA 96 Cb 0.32 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ids h ALA 96 CO 0.00 0.32 -0.43 0.00 0.00 0.00 0.00 179.25 179.14 1ids h ALA 97 N 1.51 0.13 -0.86 0.00 0.00 -1.07 -2.83 119.26 116.14 1ids h ALA 97 Ca 0.42 -0.49 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1ids h ALA 97 Cb 0.27 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.02 1ids h ALA 97 CO -0.17 0.28 0.44 0.00 0.00 0.00 0.00 179.25 179.79 1ids h ALA 98 N 0.40 1.16 -0.31 0.00 0.00 -0.23 -1.27 119.26 119.01 1ids h ALA 98 Ca -0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.64 1ids h ALA 98 Cb 1.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ids h ALA 98 CO 0.09 0.65 -0.15 0.82 0.00 0.00 0.00 179.25 180.66 1ids h ILE 99 N 1.21 1.29 -0.24 0.00 2.04 -0.26 -0.07 117.51 121.48 1ids h ILE 99 Ca 0.30 -1.26 -0.10 0.00 1.00 0.00 0.00 64.86 64.80 1ids h ILE 99 Cb 0.07 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.59 1ids h ILE 99 CO -0.04 0.40 -0.28 0.00 0.00 0.00 0.00 178.15 178.24 1ids h ALA 100 N 0.76 1.08 -0.13 1.87 0.00 -1.35 0.13 119.26 121.61 1ids h ALA 100 Ca 0.07 -0.36 -0.21 0.00 0.00 0.00 0.00 54.91 54.41 1ids h ALA 100 Cb 0.68 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1ids h ALA 100 CO 0.05 0.57 -0.76 -0.44 0.00 0.00 0.00 179.25 178.67 1ids h ASP 101 N 0.41 0.78 1.00 0.00 5.19 -1.14 0.47 116.42 123.14 1ids h ASP 101 Ca 0.06 -0.51 -0.16 0.00 -0.62 0.00 0.00 57.03 55.80 1ids h ASP 101 Cb 0.70 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.96 1ids h ASP 101 CO 0.05 1.29 -0.76 0.00 -3.12 0.00 0.00 179.24 176.70 1ids h ALA 102 N 0.70 0.61 0.00 3.45 0.00 -0.73 -3.37 119.26 119.92 1ids h ALA 102 Ca -0.04 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 54.18 1ids h ALA 102 Cb 1.37 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1ids h ALA 102 CO 0.15 0.95 0.00 1.19 0.00 0.00 0.00 179.25 181.54 1ids n PHE 103 N -3.44 0.00 0.00 0.00 3.72 0.43 -5.01 117.46 113.16 1ids n PHE 103 Ca 0.00 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1ids n PHE 103 Cb 0.79 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.31 1ids n PHE 103 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1ids n GLY 104 N -0.16 2.56 3.64 1.37 0.00 0.16 -4.42 105.19 108.35 1ids n GLY 104 Ca 0.00 -0.62 -0.07 0.00 0.00 0.00 0.00 46.02 45.33 1ids n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ids s SER 105 N 0.00 -0.33 0.21 1.61 1.04 -1.22 -4.71 113.70 110.31 1ids s SER 105 Ca 0.00 -0.26 -0.05 0.00 0.48 0.00 0.00 55.95 56.12 1ids s SER 105 Cb 0.00 0.54 0.18 0.00 0.10 0.00 0.00 66.02 66.84 1ids s SER 105 CO 0.00 -0.94 1.66 0.15 0.98 0.00 0.00 173.24 175.08 1ids h PHE 106 N 2.00 0.96 -0.56 5.02 3.57 -1.91 -1.59 116.94 124.43 1ids h PHE 106 Ca -0.25 -0.19 -0.07 0.00 3.53 0.00 0.00 57.97 61.00 1ids h PHE 106 Cb 1.25 -0.24 -0.02 0.00 2.79 0.00 0.00 35.95 39.73 1ids h PHE 106 CO 0.33 0.93 0.06 -0.44 -2.23 0.00 0.00 178.31 176.96 1ids h ASP 107 N 0.78 0.86 0.51 0.41 3.32 -1.96 0.97 116.42 121.31 1ids h ASP 107 Ca 0.13 -0.20 -0.17 0.00 0.02 0.00 0.00 57.03 56.81 1ids h ASP 107 Cb 0.63 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.94 1ids h ASP 107 CO 0.04 0.89 -0.73 0.11 -1.72 0.00 0.00 179.24 177.84 1ids h LYS 108 N 0.85 0.18 -0.12 3.56 1.57 -1.78 -2.16 116.57 118.66 1ids h LYS 108 Ca 0.17 -0.16 -0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1ids h LYS 108 Cb 0.42 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 1ids h LYS 108 CO 0.01 0.83 -0.03 0.35 -0.57 0.00 0.00 179.45 180.04 1ids h PHE 109 N 0.12 0.26 -0.77 -1.35 3.57 -0.93 -2.91 116.94 114.94 1ids h PHE 109 Ca -0.02 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.45 1ids h PHE 109 Cb 1.28 -0.06 -0.05 0.00 2.79 0.00 0.00 35.95 39.91 1ids h PHE 109 CO 0.02 0.53 0.49 -0.09 -2.23 0.00 0.00 178.31 177.03 1ids h ARG 110 N -0.08 0.93 -0.40 1.11 2.43 -0.77 -1.75 114.38 115.84 1ids h ARG 110 Ca 0.03 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.10 1ids h ARG 110 Cb 0.45 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 1ids h ARG 110 CO 0.01 0.62 0.08 0.00 -1.51 0.00 0.00 179.97 179.17 1ids h ALA 111 N 1.32 0.54 -0.15 2.80 0.00 -1.37 -1.35 119.26 121.04 1ids h ALA 111 Ca 0.30 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 1ids h ALA 111 Cb -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1ids h ALA 111 CO -0.10 0.24 -0.53 0.37 0.00 0.00 0.00 179.25 179.22 1ids h GLN 112 N 0.52 0.43 -0.31 0.00 4.15 -1.32 -1.65 115.11 116.93 1ids h GLN 112 Ca 0.12 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.25 1ids h GLN 112 Cb 0.35 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.05 1ids h GLN 112 CO 0.01 0.85 0.08 0.35 -1.93 0.00 0.00 178.83 178.19 1ids h PHE 113 N 0.34 0.52 -0.58 3.99 3.57 -1.23 -0.31 116.94 123.24 1ids h PHE 113 Ca 0.01 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.43 1ids h PHE 113 Cb 1.04 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.60 1ids h PHE 113 CO 0.03 0.54 0.30 1.25 -2.23 0.00 0.00 178.31 178.20 1ids h HIS 114 N 0.34 0.81 -0.58 0.41 2.76 -1.17 -0.63 115.15 117.09 1ids h HIS 114 Ca 0.10 -0.03 -0.08 0.00 -2.20 0.00 0.00 60.37 58.15 1ids h HIS 114 Cb 0.28 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1ids h HIS 114 CO 0.01 0.61 0.04 0.00 -1.30 0.00 0.00 177.93 177.29 1ids h ALA 115 N 1.13 0.78 -0.43 5.26 0.00 -1.16 -1.99 119.26 122.85 1ids h ALA 115 Ca 0.20 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 54.69 1ids h ALA 115 Cb 0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 1ids h ALA 115 CO -0.03 0.59 -0.24 0.00 0.00 0.00 0.00 179.25 179.57 1ids h ALA 116 N 0.99 0.61 -0.36 0.00 0.00 -0.81 -3.00 119.26 116.70 1ids h ALA 116 Ca 0.17 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.64 1ids h ALA 116 Cb 0.50 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1ids h ALA 116 CO 0.02 0.61 0.03 0.00 0.00 0.00 0.00 179.25 179.92 1ids h ALA 117 N 0.83 0.48 -0.20 0.00 0.00 -1.00 -3.25 119.26 116.11 1ids h ALA 117 Ca 0.09 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1ids h ALA 117 Cb 0.81 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 1ids h ALA 117 CO 0.07 0.21 0.00 0.25 0.00 0.00 0.00 179.25 179.78 1ids n THR 118 N -4.54 0.26 -0.50 0.00 -2.24 -0.76 -4.07 114.28 102.44 1ids n THR 118 Ca -0.01 -0.34 0.05 0.00 -2.27 0.00 0.00 64.05 61.47 1ids n THR 118 Cb 0.25 0.26 0.07 0.00 -2.10 0.00 0.00 70.33 68.81 1ids n THR 118 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ids n THR 119 N 0.26 1.42 -2.33 4.28 -2.24 -1.13 -5.02 114.28 109.52 1ids n THR 119 Ca 0.14 -1.58 -0.40 0.00 -2.27 0.00 0.00 64.05 59.94 1ids n THR 119 Cb 0.29 0.16 -0.03 0.00 -2.10 0.00 0.00 70.33 68.64 1ids n THR 119 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1ids s VAL 120 N -1.87 3.17 -1.13 2.28 1.01 -1.26 -4.94 120.40 117.66 1ids s VAL 120 Ca 0.16 1.17 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 1ids s VAL 120 Cb 0.13 -3.73 0.27 0.00 0.00 0.00 0.00 36.38 33.05 1ids s VAL 120 CO 0.02 0.26 1.42 0.00 0.00 0.00 0.00 175.10 176.81 1ids n GLN 121 N 0.94 3.96 0.00 2.72 6.02 -1.26 -4.88 117.38 124.89 1ids n GLN 121 Ca -0.00 -4.31 0.00 0.00 -0.01 0.00 0.00 57.00 52.68 1ids n GLN 121 Cb 0.44 -2.64 0.00 0.00 1.02 0.00 0.00 30.24 29.06 1ids n GLN 121 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ids n GLY 122 N 2.22 0.39 3.79 1.08 0.00 -1.26 -5.05 105.19 106.36 1ids n GLY 122 Ca 0.28 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 44.00 1ids n GLY 122 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ids s SER 123 N -4.00 7.14 -0.02 1.61 0.01 -1.26 -4.91 113.70 112.27 1ids s SER 123 Ca 0.00 1.88 -0.08 0.00 1.31 0.00 0.00 55.95 59.06 1ids s SER 123 Cb 0.00 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.68 1ids s SER 123 CO 0.00 -0.21 0.34 0.61 0.41 0.00 0.00 173.24 174.39 1ids n GLY 124 N 0.37 0.38 3.16 3.44 0.00 -1.26 -0.12 105.19 111.16 1ids n GLY 124 Ca 0.03 -0.86 -0.10 0.00 0.00 0.00 0.00 46.02 45.09 1ids n GLY 124 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ids s TRP 125 N -2.25 0.94 -0.17 1.61 0.52 -0.19 -1.04 118.94 118.36 1ids s TRP 125 Ca 0.08 -1.26 -0.02 0.00 0.02 0.00 0.00 56.10 54.92 1ids s TRP 125 Cb -0.00 -0.51 -0.01 0.00 -1.15 0.00 0.00 33.47 31.80 1ids s TRP 125 CO -0.01 -0.53 -0.08 0.00 0.02 0.00 0.00 176.95 176.36 1ids s ALA 126 N -4.05 2.78 0.00 0.98 0.00 -0.68 -1.48 121.76 119.31 1ids s ALA 126 Ca 0.27 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.26 1ids s ALA 126 Cb 0.07 -1.48 -0.00 0.00 0.00 0.00 0.00 23.12 21.71 1ids s ALA 126 CO 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 175.76 175.74 1ids s ALA 127 N 0.80 0.22 -0.23 0.00 0.00 0.65 -1.83 121.76 121.36 1ids s ALA 127 Ca -0.03 -0.17 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 1ids s ALA 127 Cb -0.15 -0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1ids s ALA 127 CO 0.01 0.04 0.10 -1.17 0.00 0.00 0.00 175.76 174.74 1ids s LEU 128 N -0.21 3.73 0.15 0.00 2.96 0.62 0.54 118.68 126.47 1ids s LEU 128 Ca -0.01 -0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.85 1ids s LEU 128 Cb -0.02 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1ids s LEU 128 CO -0.00 0.04 0.07 -0.83 -1.32 0.00 0.00 176.35 174.31 1ids s GLY 129 N 1.17 1.08 -0.27 7.98 0.00 0.73 -0.23 107.32 117.77 1ids s GLY 129 Ca 0.05 -1.51 -0.12 0.00 0.00 0.00 0.00 44.72 43.14 1ids s GLY 129 CO 0.04 -1.37 0.22 0.86 0.00 0.00 0.00 173.10 172.85 1ids s TRP 130 N -4.07 3.23 -0.36 1.90 -0.11 0.07 -1.23 118.94 118.36 1ids s TRP 130 Ca 0.27 0.18 -0.20 0.00 1.22 0.00 0.00 56.10 57.57 1ids s TRP 130 Cb 0.07 -2.40 0.00 0.00 -1.50 0.00 0.00 33.47 29.64 1ids s TRP 130 CO 0.04 -0.15 0.62 0.34 -4.62 0.00 0.00 176.95 173.18 1ids s ASP 131 N 1.68 6.40 0.30 5.86 2.15 -0.14 -1.71 116.67 131.22 1ids s ASP 131 Ca 0.08 0.07 0.03 0.00 0.43 0.00 0.00 52.55 53.17 1ids s ASP 131 Cb -0.16 -2.32 0.47 0.00 -0.30 0.00 0.00 42.92 40.61 1ids s ASP 131 CO 0.10 -0.60 1.77 0.71 -0.17 0.00 0.00 175.17 176.98 1ids h THR 132 N 5.69 1.24 0.23 1.71 1.35 -1.88 0.15 112.91 121.41 1ids h THR 132 Ca -0.26 -1.11 -0.01 0.00 -0.55 0.00 0.00 66.41 64.48 1ids h THR 132 Cb 1.11 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1ids h THR 132 CO 0.83 0.36 -0.11 0.25 -0.25 0.00 0.00 175.52 176.60 1ids h LEU 133 N 0.46 -0.26 -0.52 3.87 5.85 -1.92 -3.29 115.31 119.50 1ids h LEU 133 Ca 0.08 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ids h LEU 133 Cb 0.56 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1ids h LEU 133 CO 0.04 -0.01 -0.65 0.61 -0.34 0.00 0.00 178.44 178.09 1ids n GLY 134 N -0.63 -0.49 3.58 3.75 0.00 -1.24 -4.98 105.19 105.18 1ids n GLY 134 Ca -0.09 -0.59 -0.21 0.00 0.00 0.00 0.00 46.02 45.13 1ids n GLY 134 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ids n ASN 135 N -0.72 -2.94 -4.31 1.61 5.03 0.52 -5.00 115.26 109.45 1ids n ASN 135 Ca 0.07 -0.67 -0.26 0.00 0.87 0.00 0.00 54.58 54.59 1ids n ASN 135 Cb 0.40 -4.71 -0.13 0.00 -1.02 0.00 0.00 39.78 34.32 1ids n ASN 135 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1ids s LYS 136 N -5.83 1.30 -0.20 3.52 1.02 -1.11 -4.95 119.74 113.48 1ids s LYS 136 Ca 0.18 -1.16 -0.21 0.00 0.02 0.00 0.00 55.97 54.81 1ids s LYS 136 Cb -0.08 -1.58 -0.03 0.00 -0.52 0.00 0.00 37.83 35.62 1ids s LYS 136 CO 0.76 0.38 0.62 -0.51 -0.92 0.00 0.00 175.35 175.68 1ids s LEU 137 N -1.74 4.15 0.10 3.17 1.43 -1.26 -0.96 118.68 123.57 1ids s LEU 137 Ca 0.09 0.82 0.03 0.00 -1.03 0.00 0.00 54.13 54.04 1ids s LEU 137 Cb -0.10 -2.87 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 1ids s LEU 137 CO 0.04 -0.26 -0.08 -0.76 0.23 0.00 0.00 176.35 175.52 1ids s LEU 138 N 1.86 2.47 -0.12 1.79 1.43 -0.37 -4.96 118.68 120.78 1ids s LEU 138 Ca 0.28 -0.93 -0.04 0.00 -1.03 0.00 0.00 54.13 52.42 1ids s LEU 138 Cb -0.16 -0.19 -0.03 0.00 0.03 0.00 0.00 46.19 45.84 1ids s LEU 138 CO 0.10 -0.37 0.01 -0.63 0.23 0.00 0.00 176.35 175.69 1ids s ILE 139 N -3.13 4.34 0.05 -0.59 1.01 -1.26 -0.20 121.20 121.42 1ids s ILE 139 Ca 0.10 -0.22 0.08 0.00 0.00 0.00 0.00 60.65 60.61 1ids s ILE 139 Cb 0.02 -2.87 -0.03 0.00 0.01 0.00 0.00 42.46 39.59 1ids s ILE 139 CO -0.02 0.55 -0.23 -0.36 0.00 0.00 0.00 174.94 174.87 1ids s PHE 140 N -0.32 2.04 -0.56 3.97 0.08 0.19 -4.95 117.98 118.42 1ids s PHE 140 Ca 0.07 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.61 1ids s PHE 140 Cb -0.12 -1.21 0.14 0.00 -0.57 0.00 0.00 43.02 41.26 1ids s PHE 140 CO 0.02 0.12 0.47 -1.14 -0.10 0.00 0.00 175.22 174.58 1ids s GLN 141 N -1.25 2.82 0.03 0.44 0.74 -1.26 -0.25 119.66 120.93 1ids s GLN 141 Ca 0.09 -1.91 -0.29 0.00 0.05 0.00 0.00 55.36 53.30 1ids s GLN 141 Cb -0.09 -4.11 -0.04 0.00 1.10 0.00 0.00 33.01 29.87 1ids s GLN 141 CO 0.02 -1.25 0.94 0.08 -0.55 0.00 0.00 175.29 174.53 1ids s VAL 142 N 1.15 4.77 -0.10 1.34 1.01 -0.55 -4.70 120.40 123.32 1ids s VAL 142 Ca 0.08 1.99 -0.16 0.00 0.00 0.00 0.00 61.98 63.88 1ids s VAL 142 Cb -0.25 -4.29 -0.05 0.00 0.00 0.00 0.00 36.38 31.80 1ids s VAL 142 CO -0.01 0.22 0.41 -0.31 0.00 0.00 0.00 175.10 175.41 1ids s TYR 143 N 0.64 3.55 0.00 5.22 2.02 -0.04 -1.02 117.35 127.72 1ids s TYR 143 Ca 0.49 0.83 0.00 0.00 -0.37 0.00 0.00 57.07 58.02 1ids s TYR 143 Cb -0.21 -2.43 0.00 0.00 -0.40 0.00 0.00 41.96 38.92 1ids s TYR 143 CO 0.27 0.31 0.00 -0.25 -1.57 0.00 0.00 175.55 174.31 1ids n ASP 144 N 3.19 0.00 0.00 2.29 8.00 0.83 -2.59 116.55 128.26 1ids n ASP 144 Ca -0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.40 1ids n ASP 144 Cb 0.52 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.62 1ids n ASP 144 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1ids n HIS 145 N 8.71 0.00 -1.65 1.24 8.25 -1.26 -4.08 115.22 126.43 1ids n HIS 145 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 1ids n HIS 145 Cb 0.00 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.24 1ids n HIS 145 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ids n GLN 146 N -1.72 2.45 -3.88 -0.41 0.00 -1.23 -4.80 117.38 107.80 1ids n GLN 146 Ca 0.00 -3.53 -0.11 0.00 0.00 0.00 0.00 57.00 53.36 1ids n GLN 146 Cb 0.32 -1.99 -0.10 0.00 0.00 0.00 0.00 30.24 28.48 1ids n GLN 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 1ids s THR 147 N -3.86 0.09 0.00 -0.39 2.01 -1.07 -4.94 115.64 107.49 1ids s THR 147 Ca 0.48 -0.75 0.00 0.00 0.31 0.00 0.00 61.69 61.73 1ids s THR 147 Cb 0.42 -0.51 0.00 0.00 0.01 0.00 0.00 72.50 72.41 1ids s THR 147 CO -0.00 -0.41 0.00 -3.20 -0.69 0.00 0.00 174.62 170.31 1ids n ASN 148 N 1.32 -1.60 -3.46 3.53 5.15 -1.26 -0.86 115.26 118.07 1ids n ASN 148 Ca -0.22 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.64 1ids n ASN 148 Cb 0.56 -0.40 -0.03 0.00 -0.53 0.00 0.00 39.78 39.38 1ids n ASN 148 CO 0.00 0.00 0.00 0.72 1.40 0.00 0.00 177.26 179.38 1ids s PHE 149 N -2.76 -0.49 0.65 1.20 -0.12 -1.26 -4.52 117.98 110.68 1ids s PHE 149 Ca 0.00 0.41 -0.08 0.00 -0.05 0.00 0.00 56.93 57.22 1ids s PHE 149 Cb 0.00 0.53 0.02 0.00 -0.63 0.00 0.00 43.02 42.94 1ids s PHE 149 CO 0.00 -0.71 0.98 -2.14 -0.05 0.00 0.00 175.22 173.30 1ids s PRO 150 N -3.13 2.72 0.37 1.99 0.02 -1.26 -5.06 135.00 130.65 1ids s PRO 150 Ca 0.00 0.06 -0.25 0.00 0.02 0.00 0.00 61.00 60.83 1ids s PRO 150 Cb -0.01 -2.18 -0.09 0.00 0.02 0.00 0.00 34.50 32.24 1ids s PRO 150 CO -0.08 -0.92 1.05 -0.51 -0.33 0.00 0.00 177.00 176.20 1ids s LEU 151 N -5.15 4.23 0.00 -5.54 1.43 -1.26 -3.67 118.68 108.72 1ids s LEU 151 Ca 0.56 2.06 0.00 0.00 -1.03 0.00 0.00 54.13 55.72 1ids s LEU 151 Cb -0.11 -4.07 0.00 0.00 0.03 0.00 0.00 46.19 42.04 1ids s LEU 151 CO 0.47 -0.40 0.00 0.61 0.23 0.00 0.00 176.35 177.26 1ids n GLY 152 N 0.51 0.88 3.70 -3.19 0.00 -1.26 -5.01 105.19 100.82 1ids n GLY 152 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1ids n GLY 152 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ids s ILE 153 N -3.08 3.98 -0.38 -0.61 -1.09 -1.24 -4.40 121.20 114.38 1ids s ILE 153 Ca 0.00 1.39 -0.18 0.00 -2.23 0.00 0.00 60.65 59.63 1ids s ILE 153 Cb 0.00 -3.89 0.01 0.00 -1.58 0.00 0.00 42.46 36.99 1ids s ILE 153 CO 0.00 0.07 0.53 -0.69 -1.23 0.00 0.00 174.94 173.61 1ids s VAL 154 N 1.50 4.99 0.23 2.92 1.01 -0.69 -4.89 120.40 125.47 1ids s VAL 154 Ca 0.59 0.16 -0.30 0.00 0.00 0.00 0.00 61.98 62.44 1ids s VAL 154 Cb -0.29 -4.03 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 1ids s VAL 154 CO 0.27 -0.33 1.26 -2.16 0.00 0.00 0.00 175.10 174.14 1ids s PRO 155 N 2.44 4.43 -0.08 2.72 0.04 -1.26 -0.75 135.00 142.54 1ids s PRO 155 Ca 0.18 2.02 -0.03 0.00 0.04 0.00 0.00 61.00 63.21 1ids s PRO 155 Cb -0.15 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.17 1ids s PRO 155 CO 0.15 -0.16 -0.10 1.28 0.04 0.00 0.00 177.00 178.21 1ids n LEU 156 N 2.14 1.12 -3.73 -3.56 4.77 0.68 -4.93 117.00 113.49 1ids n LEU 156 Ca 0.04 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 55.92 1ids n LEU 156 Cb 0.43 -0.25 -0.17 0.00 -2.33 0.00 0.00 43.42 41.11 1ids n LEU 156 CO 0.57 0.27 -0.34 -0.22 -1.33 0.00 0.00 177.39 176.34 1ids s LEU 157 N -6.22 0.73 0.04 2.23 2.96 -1.09 -4.62 118.68 112.72 1ids s LEU 157 Ca -0.11 0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.95 1ids s LEU 157 Cb 0.04 -0.08 -0.03 0.00 0.50 0.00 0.00 46.19 46.62 1ids s LEU 157 CO 0.15 -0.17 -0.24 -0.76 -1.32 0.00 0.00 176.35 174.00 1ids s LEU 158 N 1.48 2.27 -0.28 -0.68 1.43 -1.26 -0.27 118.68 121.35 1ids s LEU 158 Ca -0.04 -0.55 0.01 0.00 -1.03 0.00 0.00 54.13 52.52 1ids s LEU 158 Cb -0.13 -1.34 0.08 0.00 0.03 0.00 0.00 46.19 44.84 1ids s LEU 158 CO -0.03 0.26 0.03 -0.22 0.23 0.00 0.00 176.35 176.62 1ids s LEU 159 N -1.26 2.86 -0.13 1.79 2.96 -0.76 -4.86 118.68 119.29 1ids s LEU 159 Ca 0.12 -1.55 -0.29 0.00 -0.22 0.00 0.00 54.13 52.19 1ids s LEU 159 Cb -0.10 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.43 1ids s LEU 159 CO 0.03 -0.34 1.43 -0.62 -1.32 0.00 0.00 176.35 175.53 1ids s ASP 160 N 1.39 6.81 -0.08 3.68 2.15 -1.26 -1.69 116.67 127.67 1ids s ASP 160 Ca 0.04 1.90 0.14 0.00 0.43 0.00 0.00 52.55 55.05 1ids s ASP 160 Cb -0.18 -2.54 0.43 0.00 -0.30 0.00 0.00 42.92 40.33 1ids s ASP 160 CO -0.14 -0.85 1.35 0.23 -0.17 0.00 0.00 175.17 175.59 1ids n MET 161 N 6.87 2.97 -2.27 4.34 2.81 -0.21 -4.87 117.12 126.76 1ids n MET 161 Ca 0.15 -2.43 -0.39 0.00 -1.81 0.00 0.00 57.70 53.22 1ids n MET 161 Cb 0.44 -1.55 -0.02 0.00 -0.71 0.00 0.00 33.22 31.38 1ids n MET 161 CO 0.00 0.00 0.00 -1.58 1.51 0.00 0.00 175.97 175.90 1ids s TRP 162 N -1.80 3.13 0.48 2.03 0.52 -1.18 -4.24 118.94 117.87 1ids s TRP 162 Ca 0.33 1.54 0.22 0.00 0.02 0.00 0.00 56.10 58.21 1ids s TRP 162 Cb 0.23 -3.45 1.24 0.00 -1.15 0.00 0.00 33.47 30.34 1ids s TRP 162 CO 0.14 -1.35 1.93 0.93 0.02 0.00 0.00 176.95 178.62 1ids h GLU 163 N 2.95 0.20 0.00 4.98 5.08 -1.94 -0.12 114.58 125.74 1ids h GLU 163 Ca -0.48 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ids h GLU 163 Cb 1.23 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1ids h GLU 163 CO 0.64 0.13 0.00 -2.39 -1.00 0.00 0.00 179.01 176.39 1ids n HIS 164 N -4.42 0.10 0.18 4.33 1.44 -1.26 -0.92 115.22 114.68 1ids n HIS 164 Ca 0.14 0.04 0.10 0.00 -2.01 0.00 0.00 57.72 56.00 1ids n HIS 164 Cb 0.64 -0.57 0.11 0.00 0.12 0.00 0.00 29.99 30.30 1ids n HIS 164 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1ids h ALA 165 N 2.40 0.86 0.00 1.59 0.00 -1.34 -3.41 119.26 119.36 1ids h ALA 165 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ids h ALA 165 Cb 0.23 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ids h ALA 165 CO 0.00 0.10 0.00 1.97 0.00 0.00 0.00 179.25 181.32 1ids n PHE 166 N -3.03 0.00 -0.08 0.00 1.16 -1.07 -4.97 117.46 109.47 1ids n PHE 166 Ca 0.03 0.00 -0.07 0.00 -1.87 0.00 0.00 57.45 55.53 1ids n PHE 166 Cb 0.57 0.00 -0.01 0.00 -1.61 0.00 0.00 39.48 38.43 1ids n PHE 166 CO 0.00 0.00 0.00 -0.92 -1.87 0.00 0.00 176.76 173.97 1ids h TYR 167 N 0.00 -0.60 -1.00 2.97 3.20 -1.22 0.25 116.97 120.57 1ids h TYR 167 Ca 0.00 0.04 0.16 0.00 3.14 0.00 0.00 58.73 62.07 1ids h TYR 167 Cb 0.13 0.31 -0.10 0.00 1.54 0.00 0.00 36.73 38.61 1ids h TYR 167 CO 0.00 -0.31 0.62 -0.07 -1.64 0.00 0.00 178.16 176.76 1ids h LEU 168 N -0.20 0.83 0.00 2.82 3.38 -1.88 0.35 115.31 120.60 1ids h LEU 168 Ca 0.16 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.17 1ids h LEU 168 Cb 0.45 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 1ids h LEU 168 CO -0.43 0.37 -0.53 -0.61 0.09 0.00 0.00 178.44 177.33 1ids h GLN 169 N 0.85 0.00 -0.00 1.13 4.15 -1.89 -3.41 115.11 115.95 1ids h GLN 169 Ca 0.54 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.96 1ids h GLN 169 Cb 0.73 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.42 1ids h GLN 169 CO -0.32 0.17 -0.51 0.66 -1.93 0.00 0.00 178.83 176.89 1ids n TYR 170 N -4.61 0.00 -0.37 3.99 4.02 0.05 -5.03 117.16 115.21 1ids n TYR 170 Ca -0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.79 1ids n TYR 170 Cb 0.29 -0.16 0.00 0.00 -0.02 0.00 0.00 39.34 39.46 1ids n TYR 170 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 176.86 177.48 1ids n LYS 171 N -1.16 0.00 0.15 -0.72 4.01 0.12 -1.94 118.16 118.63 1ids n LYS 171 Ca 0.07 0.00 0.13 0.00 -0.51 0.00 0.00 58.31 58.00 1ids n LYS 171 Cb 0.35 0.00 0.33 0.00 -0.51 0.00 0.00 35.03 35.20 1ids n LYS 171 CO 0.00 0.00 0.00 -2.95 -1.11 0.00 0.00 177.40 173.34 1ids h ASN 172 N 0.73 0.00 -1.00 4.39 -1.07 -1.92 -3.39 115.58 113.32 1ids h ASN 172 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 56.30 55.71 1ids h ASN 172 Cb 0.00 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.16 1ids h ASN 172 CO 0.00 0.00 1.95 -0.69 0.07 0.00 0.00 177.43 178.76 1ids s VAL 173 N -3.17 4.10 -0.05 6.14 1.01 -0.82 -4.75 120.40 122.87 1ids s VAL 173 Ca 0.09 -1.59 0.23 0.00 0.00 0.00 0.00 61.98 60.71 1ids s VAL 173 Cb 0.09 -5.14 0.24 0.00 0.00 0.00 0.00 36.38 31.57 1ids s VAL 173 CO 0.61 -1.98 1.72 0.07 0.00 0.00 0.00 175.10 175.52 1ids h LYS 174 N 8.24 0.00 0.00 2.72 2.10 -1.84 -3.17 116.57 124.62 1ids h LYS 174 Ca 0.37 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.87 1ids h LYS 174 Cb 0.91 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.22 1ids h LYS 174 CO 1.44 0.21 -0.69 -0.39 -2.00 0.00 0.00 179.45 178.02 1ids h VAL 175 N 0.00 1.49 0.00 0.07 -1.51 -1.96 -1.26 116.25 113.08 1ids h VAL 175 Ca -0.00 -2.36 -0.07 0.00 -1.23 0.00 0.00 66.70 63.03 1ids h VAL 175 Cb 0.90 2.28 -0.01 0.00 -2.13 0.00 0.00 31.29 32.33 1ids h VAL 175 CO 0.03 0.68 -0.34 0.44 -1.23 0.00 0.00 177.57 177.14 1ids h ASP 176 N 0.00 0.00 0.27 4.19 5.19 -1.96 -1.41 116.42 122.70 1ids h ASP 176 Ca -0.01 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.06 1ids h ASP 176 Cb 1.22 0.00 0.04 0.00 0.18 0.00 0.00 39.33 40.77 1ids h ASP 176 CO 0.09 0.34 -1.50 0.15 -3.12 0.00 0.00 179.24 175.20 1ids h PHE 177 N 0.00 0.97 -0.43 4.55 3.57 -1.55 -2.50 116.94 121.54 1ids h PHE 177 Ca -0.00 -0.71 0.00 0.00 3.53 0.00 0.00 57.97 60.79 1ids h PHE 177 Cb 0.69 -0.04 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1ids h PHE 177 CO 0.00 1.57 0.28 0.00 -2.23 0.00 0.00 178.31 177.92 1ids h ALA 178 N 0.16 1.67 0.00 2.41 0.00 -0.97 -2.12 119.26 120.41 1ids h ALA 178 Ca -0.26 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 1ids h ALA 178 Cb 2.17 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 19.79 1ids h ALA 178 CO 0.27 0.30 -0.37 0.87 0.00 0.00 0.00 179.25 180.32 1ids h LYS 179 N 0.59 0.24 0.00 0.00 1.57 -1.32 -3.29 116.57 114.36 1ids h LYS 179 Ca 0.16 -0.27 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 1ids h LYS 179 Cb -0.05 0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ids h LYS 179 CO -0.03 0.99 0.00 0.00 -0.57 0.00 0.00 179.45 179.84 1ids h ALA 180 N 0.26 1.00 -0.89 3.86 0.00 -1.14 -3.06 119.26 119.29 1ids h ALA 180 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ids h ALA 180 Cb 1.12 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 1ids h ALA 180 CO 0.07 0.00 0.51 0.35 0.00 0.00 0.00 179.25 180.18 1ids h PHE 181 N 0.00 1.20 0.00 0.00 3.57 -1.46 -2.95 116.94 117.31 1ids h PHE 181 Ca 0.00 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.48 1ids h PHE 181 Cb 0.21 -0.39 0.00 0.00 2.79 0.00 0.00 35.95 38.56 1ids h PHE 181 CO 0.00 0.82 0.00 -1.49 -2.23 0.00 0.00 178.31 175.41 1ids h TRP 182 N 1.23 0.00 0.00 0.41 4.06 -1.73 -1.73 115.95 118.19 1ids h TRP 182 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 1ids h TRP 182 Cb -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.15 1ids h TRP 182 CO 0.01 0.00 -0.24 0.09 -3.56 0.00 0.00 178.44 174.74 1ids n ASN 183 N -2.67 0.69 -0.05 -3.49 3.02 -1.11 -3.32 115.26 108.32 1ids n ASN 183 Ca -0.02 0.37 0.03 0.00 -0.03 0.00 0.00 54.58 54.94 1ids n ASN 183 Cb 0.06 -0.40 0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1ids n ASN 183 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1ids n VAL 184 N -2.10 1.12 -2.29 2.41 0.24 -0.66 -3.78 118.33 113.27 1ids n VAL 184 Ca 0.05 -1.24 -0.41 0.00 -2.04 0.00 0.00 64.34 60.70 1ids n VAL 184 Cb 0.42 0.32 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 1ids n VAL 184 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1ids s VAL 185 N -1.43 3.35 -0.91 3.34 1.01 -1.18 -0.86 120.40 123.72 1ids s VAL 185 Ca 0.10 1.14 -0.14 0.00 0.00 0.00 0.00 61.98 63.08 1ids s VAL 185 Cb 0.09 -3.73 0.22 0.00 0.00 0.00 0.00 36.38 32.96 1ids s VAL 185 CO 0.01 0.18 0.91 0.21 0.00 0.00 0.00 175.10 176.41 1ids s ASN 186 N 0.19 6.87 0.53 3.32 2.47 0.14 0.35 114.94 128.82 1ids s ASN 186 Ca 0.54 -2.81 0.28 0.00 0.42 0.00 0.00 52.86 51.29 1ids s ASN 186 Cb -0.35 -2.24 1.42 0.00 -1.45 0.00 0.00 41.25 38.63 1ids s ASN 186 CO 0.38 -0.58 1.95 -0.50 -3.72 0.00 0.00 177.10 174.63 1ids h TRP 187 N 7.66 0.02 -0.48 0.43 4.06 -1.90 -1.44 115.95 124.31 1ids h TRP 187 Ca 0.14 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.02 1ids h TRP 187 Cb 1.00 -0.01 -0.02 0.00 -1.00 0.00 0.00 29.16 29.13 1ids h TRP 187 CO 1.00 0.01 0.03 0.00 -3.56 0.00 0.00 178.44 175.92 1ids h ALA 188 N 1.65 0.65 -0.26 1.49 0.00 -1.96 0.18 119.26 121.01 1ids h ALA 188 Ca 0.33 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ids h ALA 188 Cb 1.30 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1ids h ALA 188 CO -0.01 0.43 0.09 0.22 0.00 0.00 0.00 179.25 179.98 1ids h ASP 189 N 0.70 0.36 -0.39 0.00 3.58 -1.55 -0.66 116.42 118.46 1ids h ASP 189 Ca 0.14 -0.18 -0.03 0.00 0.42 0.00 0.00 57.03 57.38 1ids h ASP 189 Cb 0.47 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.40 1ids h ASP 189 CO 0.02 0.45 0.11 0.58 -2.88 0.00 0.00 179.24 177.52 1ids h VAL 190 N 0.26 1.22 -0.95 2.25 2.07 -1.40 -0.52 116.25 119.18 1ids h VAL 190 Ca 0.08 -0.73 0.09 0.00 0.82 0.00 0.00 66.70 66.97 1ids h VAL 190 Cb 0.20 0.96 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1ids h VAL 190 CO -0.01 0.25 0.61 1.56 0.02 0.00 0.00 177.57 180.01 1ids h GLN 191 N 0.48 0.98 -0.35 1.57 4.20 -0.46 -0.83 115.11 120.70 1ids h GLN 191 Ca 0.12 -0.06 -0.15 0.00 0.06 0.00 0.00 58.65 58.62 1ids h GLN 191 Cb 0.27 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1ids h GLN 191 CO -0.00 0.65 -0.39 1.03 -0.67 0.00 0.00 178.83 179.45 1ids h SER 192 N 1.01 0.89 0.56 1.46 0.87 -0.77 -2.79 113.55 114.78 1ids h SER 192 Ca 0.44 -0.40 -0.11 0.00 -1.23 0.00 0.00 61.79 60.49 1ids h SER 192 Cb 0.35 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.05 1ids h SER 192 CO -0.20 1.17 -0.54 0.03 -0.53 0.00 0.00 176.83 176.76 1ids h ARG 193 N 0.68 0.00 -0.19 2.24 3.08 0.02 -2.99 114.38 117.23 1ids h ARG 193 Ca 0.06 0.00 -0.17 0.00 0.07 0.00 0.00 59.98 59.93 1ids h ARG 193 Cb 0.96 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.01 1ids h ARG 193 CO 0.09 0.54 -0.56 -0.92 -1.07 0.00 0.00 179.97 178.05 1ids h TYR 194 N 0.00 0.93 -0.49 3.04 3.20 -1.12 -2.01 116.97 120.52 1ids h TYR 194 Ca -0.01 -0.37 -0.12 0.00 3.14 0.00 0.00 58.73 61.38 1ids h TYR 194 Cb 0.97 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 39.06 1ids h TYR 194 CO 0.00 1.17 -0.15 0.00 -1.64 0.00 0.00 178.16 177.55 1ids h ALA 195 N 0.58 0.68 -0.43 1.82 0.00 -1.50 -1.46 119.26 118.96 1ids h ALA 195 Ca -0.01 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 1ids h ALA 195 Cb 1.18 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.78 1ids h ALA 195 CO 0.12 0.61 -0.12 0.00 0.00 0.00 0.00 179.25 179.86 1ids h ALA 196 N 0.88 0.98 -0.23 0.00 0.00 -1.57 -0.68 119.26 118.65 1ids h ALA 196 Ca 0.12 -0.32 -0.14 0.00 0.00 0.00 0.00 54.91 54.57 1ids h ALA 196 Cb 0.71 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ids h ALA 196 CO 0.05 0.60 -0.43 0.00 0.00 0.00 0.00 179.25 179.48 1ids h ALA 197 N 1.16 0.83 0.00 0.00 0.00 -1.15 -2.88 119.26 117.23 1ids h ALA 197 Ca 0.12 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ids h ALA 197 Cb 0.61 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ids h ALA 197 CO 0.04 0.65 0.00 1.79 0.00 0.00 0.00 179.25 181.73 1ids h THR 198 N 0.45 0.00 0.00 0.00 1.35 -1.07 -3.50 112.91 110.14 1ids h THR 198 Ca 0.03 -0.91 0.00 0.00 -0.55 0.00 0.00 66.41 64.99 1ids h THR 198 Cb 0.93 1.90 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 1ids h THR 198 CO 0.08 0.00 0.00 -1.20 -0.25 0.00 0.00 175.52 174.15