#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 2.24 0.08 0.00 2.02 -1.26 -5.06 118.70 116.72 1ids s GLU 3 Ca 0.00 -0.53 -0.19 0.00 0.02 0.00 0.00 54.97 54.27 1ids s GLU 3 Cb 0.00 -2.29 -0.07 0.00 0.10 0.00 0.00 34.13 31.87 1ids s GLU 3 CO 0.00 -1.09 0.57 0.71 0.02 0.00 0.00 175.26 175.47 1ids s TYR 4 N -3.07 3.80 0.23 1.61 2.02 -1.26 -5.07 117.35 115.60 1ids s TYR 4 Ca 0.60 1.27 0.10 0.00 -0.37 0.00 0.00 57.07 58.67 1ids s TYR 4 Cb -0.10 -2.50 -0.05 0.00 -0.40 0.00 0.00 41.96 38.92 1ids s TYR 4 CO 0.43 0.58 -0.19 0.95 -1.57 0.00 0.00 175.55 175.75 1ids s THR 5 N -1.13 2.16 -0.41 -0.71 -4.23 -1.26 -4.91 115.64 105.15 1ids s THR 5 Ca 0.29 -2.22 -0.28 0.00 -1.18 0.00 0.00 61.69 58.30 1ids s THR 5 Cb -0.19 -2.13 0.02 0.00 1.34 0.00 0.00 72.50 71.54 1ids s THR 5 CO 0.19 -0.40 1.07 -0.22 -0.54 0.00 0.00 174.62 174.73 1ids s LEU 6 N -3.20 3.81 0.66 4.79 2.96 -1.26 -5.01 118.68 121.43 1ids s LEU 6 Ca 0.24 0.67 -0.14 0.00 -0.22 0.00 0.00 54.13 54.68 1ids s LEU 6 Cb -0.04 -3.49 -0.00 0.00 0.50 0.00 0.00 46.19 43.16 1ids s LEU 6 CO 0.11 -1.06 1.09 -2.16 -1.32 0.00 0.00 176.35 173.01 1ids s PRO 7 N 4.00 2.87 0.33 0.98 0.04 -1.26 -5.02 135.00 136.94 1ids s PRO 7 Ca 0.45 1.29 -0.15 0.00 0.04 0.00 0.00 61.00 62.63 1ids s PRO 7 Cb -0.10 -1.97 -0.09 0.00 0.04 0.00 0.00 34.50 32.39 1ids s PRO 7 CO 0.24 -1.18 0.75 -0.51 0.04 0.00 0.00 177.00 176.34 1ids s ASP 8 N -2.81 6.77 0.52 6.66 1.11 -1.26 -5.06 116.67 122.59 1ids s ASP 8 Ca 0.65 1.29 -0.17 0.00 0.18 0.00 0.00 52.55 54.50 1ids s ASP 8 Cb -0.19 -2.38 -0.08 0.00 1.07 0.00 0.00 42.92 41.35 1ids s ASP 8 CO 0.43 -0.23 0.99 -0.76 1.18 0.00 0.00 175.17 176.78 1ids s LEU 9 N -3.05 3.64 -0.01 1.23 1.43 -1.26 -4.95 118.68 115.71 1ids s LEU 9 Ca 0.54 1.60 0.13 0.00 -1.03 0.00 0.00 54.13 55.38 1ids s LEU 9 Cb -0.10 -4.51 0.39 0.00 0.03 0.00 0.00 46.19 41.99 1ids s LEU 9 CO 0.18 -0.63 1.31 0.47 0.23 0.00 0.00 176.35 177.91 1ids n ASP 10 N -1.55 2.40 -3.71 2.29 8.00 -1.26 -4.91 116.55 117.81 1ids n ASP 10 Ca 0.07 -2.04 -0.09 0.00 0.71 0.00 0.00 54.79 53.44 1ids n ASP 10 Cb 0.54 -0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.30 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 -1.47 -0.23 0.47 1.24 1.48 -1.26 -5.09 118.94 114.08 1ids s TRP 11 Ca 0.29 -0.12 -0.23 0.00 -1.06 0.00 0.00 56.10 54.98 1ids s TRP 11 Cb 0.16 0.53 -0.07 0.00 -1.16 0.00 0.00 33.47 32.92 1ids s TRP 11 CO 0.19 -1.01 1.18 0.34 -4.06 0.00 0.00 176.95 173.59 1ids s ASP 12 N -2.86 6.09 0.36 -2.66 2.15 -1.26 -4.92 116.67 113.57 1ids s ASP 12 Ca 0.08 2.34 0.15 0.00 0.43 0.00 0.00 52.55 55.55 1ids s ASP 12 Cb -0.03 -2.61 1.01 0.00 -0.30 0.00 0.00 42.92 41.00 1ids s ASP 12 CO -0.02 -0.97 1.75 1.88 -0.17 0.00 0.00 175.17 177.64 1ids h TYR 13 N 1.99 0.81 -0.58 -5.34 0.05 -1.97 -1.08 116.97 110.86 1ids h TYR 13 Ca -0.49 0.03 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1ids h TYR 13 Cb 1.25 -0.23 0.00 0.00 1.01 0.00 0.00 36.73 38.76 1ids h TYR 13 CO 0.53 0.07 0.00 0.41 -1.05 0.00 0.00 178.16 178.11 1ids n GLY 14 N -1.41 2.29 0.22 3.88 0.00 -1.26 -4.02 105.19 104.89 1ids n GLY 14 Ca 0.26 -0.73 0.15 0.00 0.00 0.00 0.00 46.02 45.70 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 3.98 1.00 -0.02 4.61 0.00 -1.53 -2.98 119.26 124.33 1ids h ALA 15 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1ids h ALA 15 Cb 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1ids h ALA 15 CO 0.17 0.00 -0.10 1.28 0.00 0.00 0.00 179.25 180.60 1ids n LEU 16 N -2.79 1.97 -4.75 0.00 4.77 -1.26 -4.61 117.00 110.33 1ids n LEU 16 Ca 0.01 -0.66 -0.37 0.00 -0.03 0.00 0.00 56.01 54.97 1ids n LEU 16 Cb 0.30 -0.02 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1ids n LEU 16 CO 0.25 0.34 0.89 -1.61 -1.33 0.00 0.00 177.39 175.93 1ids s GLU 17 N -2.13 3.07 -0.09 3.23 2.02 -1.13 -1.45 118.70 122.22 1ids s GLU 17 Ca 0.30 1.96 0.13 0.00 0.02 0.00 0.00 54.97 57.39 1ids s GLU 17 Cb 0.20 -2.07 0.54 0.00 0.10 0.00 0.00 34.13 32.90 1ids s GLU 17 CO 0.38 -1.16 1.41 -0.35 0.02 0.00 0.00 175.26 175.55 1ids n PRO 18 N -1.33 3.04 -0.09 0.39 -0.04 -1.26 -4.87 135.00 130.85 1ids n PRO 18 Ca 0.12 -2.13 -0.13 0.00 -0.04 0.00 0.00 63.50 61.33 1ids n PRO 18 Cb 0.48 -1.74 -0.05 0.00 -0.04 0.00 0.00 33.50 32.16 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 3.05 0.69 -3.25 0.54 3.86 -1.62 -3.42 115.15 115.00 1ids h HIS 19 Ca 0.00 -0.19 -0.44 0.00 -1.16 0.00 0.00 60.37 58.59 1ids h HIS 19 Cb 1.15 -0.15 -0.39 0.00 1.06 0.00 0.00 27.41 29.08 1ids h HIS 19 CO 0.58 0.87 -0.76 0.42 0.86 0.00 0.00 177.93 179.90 1ids s ILE 20 N -4.49 0.28 0.53 2.45 1.01 -1.00 -4.88 121.20 115.10 1ids s ILE 20 Ca -0.13 0.06 -0.23 0.00 0.00 0.00 0.00 60.65 60.36 1ids s ILE 20 Cb 0.08 -0.54 -0.06 0.00 0.01 0.00 0.00 42.46 41.96 1ids s ILE 20 CO 0.80 0.14 1.39 -0.94 0.00 0.00 0.00 174.94 176.33 1ids s SER 21 N 2.00 5.37 0.45 3.58 1.04 -1.26 -3.04 113.70 121.84 1ids s SER 21 Ca 0.04 2.84 0.20 0.00 0.48 0.00 0.00 55.95 59.51 1ids s SER 21 Cb -0.13 -2.64 1.07 0.00 0.10 0.00 0.00 66.02 64.42 1ids s SER 21 CO -0.05 -1.51 1.95 1.23 0.98 0.00 0.00 173.24 175.84 1ids h GLY 22 N 1.65 0.00 0.77 7.32 0.00 -1.87 -2.61 103.07 108.32 1ids h GLY 22 Ca -0.51 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.81 1ids h GLY 22 CO 0.58 0.00 0.01 -1.61 0.00 0.00 0.00 176.54 175.52 1ids h GLN 23 N 0.00 0.13 -0.67 4.80 4.15 -1.91 -1.84 115.11 119.77 1ids h GLN 23 Ca -0.00 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.31 1ids h GLN 23 Cb 0.47 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.12 1ids h GLN 23 CO 0.03 0.36 0.16 0.82 -1.93 0.00 0.00 178.83 178.26 1ids h ILE 24 N -0.12 1.26 -0.49 2.39 2.04 -1.88 -2.64 117.51 118.08 1ids h ILE 24 Ca 0.02 -0.96 -0.00 0.00 1.00 0.00 0.00 64.86 64.92 1ids h ILE 24 Cb 0.29 0.60 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 1ids h ILE 24 CO 0.00 0.37 0.30 0.78 0.00 0.00 0.00 178.15 179.60 1ids h ASN 25 N 1.01 0.59 -0.10 1.72 2.35 -1.43 0.14 115.58 119.86 1ids h ASN 25 Ca 0.21 -0.05 -0.02 0.00 -0.55 0.00 0.00 56.30 55.89 1ids h ASN 25 Cb 0.38 -0.15 -0.00 0.00 0.05 0.00 0.00 38.32 38.59 1ids h ASN 25 CO 0.00 0.46 -0.02 -0.08 -1.65 0.00 0.00 177.43 176.14 1ids h GLU 26 N 0.66 0.19 0.02 0.81 4.81 -1.25 -1.57 114.58 118.25 1ids h GLU 26 Ca 0.18 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ids h GLU 26 Cb -0.02 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.34 1ids h GLU 26 CO -0.03 0.49 -0.01 -0.07 -0.73 0.00 0.00 179.01 178.65 1ids h LEU 27 N -0.12 -0.03 -0.11 1.64 3.38 -1.40 0.14 115.31 118.81 1ids h LEU 27 Ca 0.03 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.04 1ids h LEU 27 Cb 0.42 0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1ids h LEU 27 CO 0.01 -0.02 -0.16 -0.74 0.09 0.00 0.00 178.44 177.62 1ids h HIS 28 N -0.03 -0.40 0.24 1.13 2.76 -0.72 0.85 115.15 118.97 1ids h HIS 28 Ca 0.00 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.18 1ids h HIS 28 Cb 0.03 0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.19 1ids h HIS 28 CO -0.08 -0.23 -0.11 1.25 -1.30 0.00 0.00 177.93 177.46 1ids h HIS 29 N -0.21 -0.29 0.00 5.26 -0.00 -1.25 -0.38 115.15 118.28 1ids h HIS 29 Ca 0.09 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.40 1ids h HIS 29 Cb 0.33 0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.83 1ids h HIS 29 CO -0.26 -0.18 -0.25 0.66 -0.00 0.00 0.00 177.93 177.89 1ids h SER 30 N -1.02 0.00 0.00 3.26 4.64 -0.80 -3.12 113.55 116.50 1ids h SER 30 Ca -0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.29 1ids h SER 30 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1ids h SER 30 CO 0.05 0.25 -0.39 0.29 -0.87 0.00 0.00 176.83 176.17 1ids n LYS 31 N -3.82 0.20 0.48 4.77 4.76 0.26 -4.52 118.16 120.30 1ids n LYS 31 Ca -0.02 0.08 -0.19 0.00 -2.87 0.00 0.00 58.31 55.31 1ids n LYS 31 Cb 0.35 -0.79 -0.09 0.00 -1.84 0.00 0.00 35.03 32.66 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 -0.39 -1.14 -0.67 2.13 3.86 -1.43 -2.47 115.15 115.04 1ids h HIS 32 Ca 0.00 -0.03 0.06 0.00 -1.16 0.00 0.00 60.37 59.24 1ids h HIS 32 Cb 0.39 0.38 -0.06 0.00 1.06 0.00 0.00 27.41 29.18 1ids h HIS 32 CO -0.17 -0.71 0.37 1.25 0.86 0.00 0.00 177.93 179.54 1ids h HIS 33 N -1.31 0.69 -0.94 2.45 -0.00 -1.12 -2.33 115.15 112.59 1ids h HIS 33 Ca -0.13 0.02 0.07 0.00 -0.00 0.00 0.00 60.37 60.34 1ids h HIS 33 Cb 0.95 -0.21 -0.07 0.00 -0.00 0.00 0.00 27.41 28.08 1ids h HIS 33 CO -0.00 0.33 0.59 0.00 -0.00 0.00 0.00 177.93 178.85 1ids h ALA 34 N 1.35 1.31 -0.61 5.26 0.00 -1.54 -1.34 119.26 123.69 1ids h ALA 34 Ca 0.30 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 1ids h ALA 34 Cb 0.19 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.69 1ids h ALA 34 CO -0.18 0.34 0.10 1.15 0.00 0.00 0.00 179.25 180.65 1ids h THR 35 N 1.06 1.25 -0.27 0.00 2.02 -0.93 -2.20 112.91 113.84 1ids h THR 35 Ca 0.42 -0.98 -0.11 0.00 0.77 0.00 0.00 66.41 66.51 1ids h THR 35 Cb 0.22 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 67.30 1ids h THR 35 CO -0.19 0.36 -0.28 1.88 0.37 0.00 0.00 175.52 177.66 1ids h TYR 36 N 0.93 0.62 -0.45 3.16 0.05 -0.95 -0.76 116.97 119.56 1ids h TYR 36 Ca 0.19 -0.14 -0.04 0.00 0.05 0.00 0.00 58.73 58.78 1ids h TYR 36 Cb 0.40 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.98 1ids h TYR 36 CO 0.03 0.77 0.12 0.28 -1.05 0.00 0.00 178.16 178.31 1ids h VAL 37 N 0.47 1.23 -0.21 -2.88 2.07 -0.98 -1.59 116.25 114.35 1ids h VAL 37 Ca 0.06 -0.78 -0.18 0.00 0.82 0.00 0.00 66.70 66.63 1ids h VAL 37 Cb 0.73 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 31.38 1ids h VAL 37 CO 0.06 0.28 -0.59 0.50 0.02 0.00 0.00 177.57 177.84 1ids h LYS 38 N 0.59 0.69 -0.32 1.57 3.64 -1.28 -2.62 116.57 118.84 1ids h LYS 38 Ca 0.14 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 59.00 1ids h LYS 38 Cb 0.29 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.16 1ids h LYS 38 CO -0.00 1.08 -0.09 0.78 -2.27 0.00 0.00 179.45 178.95 1ids h GLY 39 N 0.89 0.57 1.13 5.01 0.00 -1.02 0.38 103.07 110.02 1ids h GLY 39 Ca 0.00 -0.38 -0.20 0.00 0.00 0.00 0.00 47.33 46.74 1ids h GLY 39 CO 0.12 0.36 -0.68 0.00 0.00 0.00 0.00 176.54 176.33 1ids h ALA 40 N 1.42 0.33 -0.27 3.60 0.00 -1.23 -2.13 119.26 120.96 1ids h ALA 40 Ca 0.10 -0.56 -0.12 0.00 0.00 0.00 0.00 54.91 54.32 1ids h ALA 40 Cb 0.45 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ids h ALA 40 CO 0.02 0.64 -0.35 -0.91 0.00 0.00 0.00 179.25 178.65 1ids h ASN 41 N 0.52 0.63 -0.32 0.00 2.35 -1.27 -2.32 115.58 115.17 1ids h ASN 41 Ca -0.03 -0.26 -0.05 0.00 -0.55 0.00 0.00 56.30 55.41 1ids h ASN 41 Cb 1.31 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 39.49 1ids h ASN 41 CO 0.14 0.92 -0.00 0.44 -1.65 0.00 0.00 177.43 177.28 1ids h ASP 42 N 0.51 0.55 -0.68 5.81 5.19 -0.90 -2.58 116.42 124.31 1ids h ASP 42 Ca 0.05 -0.31 -0.02 0.00 -0.62 0.00 0.00 57.03 56.13 1ids h ASP 42 Cb 0.84 -0.15 -0.03 0.00 0.18 0.00 0.00 39.33 40.17 1ids h ASP 42 CO 0.07 0.73 0.35 0.00 -3.12 0.00 0.00 179.24 177.27 1ids h ALA 43 N 0.84 0.87 -0.49 3.45 0.00 -1.30 -1.63 119.26 121.01 1ids h ALA 43 Ca 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1ids h ALA 43 Cb 0.45 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1ids h ALA 43 CO 0.02 0.41 0.08 0.28 0.00 0.00 0.00 179.25 180.04 1ids h VAL 44 N 0.94 1.22 -0.06 0.00 2.07 -1.38 -2.36 116.25 116.68 1ids h VAL 44 Ca 0.24 -0.83 -0.03 0.00 0.82 0.00 0.00 66.70 66.90 1ids h VAL 44 Cb 0.08 0.76 -0.00 0.00 -1.52 0.00 0.00 31.29 30.61 1ids h VAL 44 CO -0.03 0.30 -0.06 0.00 0.02 0.00 0.00 177.57 177.80 1ids h ALA 45 N 1.37 0.09 -0.73 1.67 0.00 -1.03 -2.57 119.26 118.06 1ids h ALA 45 Ca 0.16 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.82 1ids h ALA 45 Cb 0.32 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1ids h ALA 45 CO 0.00 -0.11 0.48 0.87 0.00 0.00 0.00 179.25 180.49 1ids h LYS 46 N -0.28 0.88 -0.17 0.00 1.79 -1.22 -0.70 116.57 116.87 1ids h LYS 46 Ca 0.01 -0.05 -0.09 0.00 -2.18 0.00 0.00 60.65 58.34 1ids h LYS 46 Cb 0.56 -0.20 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1ids h LYS 46 CO 0.01 0.58 -0.30 -0.07 -1.08 0.00 0.00 179.45 178.60 1ids h LEU 47 N 0.91 0.33 -0.22 2.94 3.38 -1.37 0.38 115.31 121.65 1ids h LEU 47 Ca 0.28 -0.11 -0.05 0.00 0.09 0.00 0.00 57.88 58.09 1ids h LEU 47 Cb 0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1ids h LEU 47 CO -0.08 0.62 -0.08 -0.33 0.09 0.00 0.00 178.44 178.67 1ids h GLU 48 N 0.29 0.44 -0.59 1.13 5.08 -0.76 -2.18 114.58 117.98 1ids h GLU 48 Ca 0.04 -0.18 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 1ids h GLU 48 Cb 0.67 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 1ids h GLU 48 CO 0.05 0.70 0.24 1.49 -1.00 0.00 0.00 179.01 180.49 1ids h GLU 49 N 0.16 0.87 -0.62 2.33 4.81 -0.94 -1.49 114.58 119.69 1ids h GLU 49 Ca 0.05 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 1ids h GLU 49 Cb 0.55 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 1ids h GLU 49 CO 0.03 0.74 0.36 0.00 -0.73 0.00 0.00 179.01 179.41 1ids h ALA 50 N 1.09 0.79 -0.20 2.92 0.00 -0.14 -1.09 119.26 122.63 1ids h ALA 50 Ca 0.20 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 1ids h ALA 50 Cb 0.19 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1ids h ALA 50 CO -0.02 0.29 -0.43 0.00 0.00 0.00 0.00 179.25 179.09 1ids h ARG 51 N 0.84 0.49 -0.27 0.00 3.08 -1.19 0.57 114.38 117.90 1ids h ARG 51 Ca 0.22 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 1ids h ARG 51 Cb 0.01 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 1ids h ARG 51 CO -0.04 0.83 -0.19 0.00 -1.07 0.00 0.00 179.97 179.51 1ids h ALA 52 N 1.14 0.38 -0.01 0.04 0.00 -0.89 -2.99 119.26 116.92 1ids h ALA 52 Ca 0.03 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.59 1ids h ALA 52 Cb 0.92 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ids h ALA 52 CO 0.08 0.31 -0.09 1.63 0.00 0.00 0.00 179.25 181.18 1ids n LYS 53 N -4.39 1.08 -3.88 0.00 5.02 -0.45 -4.93 118.16 110.61 1ids n LYS 53 Ca -0.04 -0.49 -0.29 0.00 -2.02 0.00 0.00 58.31 55.46 1ids n LYS 53 Cb 0.40 -1.49 0.03 0.00 -0.02 0.00 0.00 35.03 33.95 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 -0.53 -5.70 -3.90 1.97 -0.58 -0.45 -4.96 120.64 106.49 1ids n GLU 54 Ca 0.17 0.62 -0.30 0.00 -0.42 0.00 0.00 57.16 57.22 1ids n GLU 54 Cb 0.29 -5.51 -0.15 0.00 -0.57 0.00 0.00 31.44 25.50 1ids n GLU 54 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1ids s ASP 55 N -3.36 3.91 -0.37 1.62 2.15 0.06 -4.99 116.67 115.69 1ids s ASP 55 Ca 0.63 -1.33 0.06 0.00 0.43 0.00 0.00 52.55 52.34 1ids s ASP 55 Cb -0.31 -1.14 0.50 0.00 -0.30 0.00 0.00 42.92 41.67 1ids s ASP 55 CO 0.82 -0.28 1.54 1.41 -0.17 0.00 0.00 175.17 178.49 1ids n HIS 56 N 4.68 1.97 0.34 -5.34 8.25 -1.26 -4.64 115.22 119.22 1ids n HIS 56 Ca -0.09 -2.00 0.15 0.00 -0.26 0.00 0.00 57.72 55.52 1ids n HIS 56 Cb 0.44 -0.66 0.58 0.00 1.12 0.00 0.00 29.99 31.46 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 1.41 0.00 -0.06 0.41 4.64 -1.97 -2.78 113.55 115.20 1ids h SER 57 Ca 0.36 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.65 1ids h SER 57 Cb 1.60 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.68 1ids h SER 57 CO 0.73 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 176.48 1ids n ALA 58 N -1.94 3.13 -0.29 5.18 0.00 -1.26 -4.79 120.51 120.53 1ids n ALA 58 Ca 0.02 -2.93 0.08 0.00 0.00 0.00 0.00 53.44 50.60 1ids n ALA 58 Cb 0.28 -0.44 0.30 0.00 0.00 0.00 0.00 19.45 19.59 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 0.67 0.95 -0.63 0.00 6.09 -1.84 -1.46 117.51 121.29 1ids h ILE 59 Ca 0.03 -0.30 -0.06 0.00 -1.37 0.00 0.00 64.86 63.15 1ids h ILE 59 Cb 1.12 -0.01 -0.03 0.00 0.47 0.00 0.00 36.82 38.37 1ids h ILE 59 CO 0.07 0.16 0.15 0.25 -3.07 0.00 0.00 178.15 175.70 1ids h LEU 60 N 0.88 0.95 -0.10 2.19 6.46 -1.86 -1.34 115.31 122.49 1ids h LEU 60 Ca 0.43 -0.24 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1ids h LEU 60 Cb 0.45 -0.25 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1ids h LEU 60 CO -0.19 0.94 -0.04 0.25 -0.62 0.00 0.00 178.44 178.78 1ids h LEU 61 N 0.92 0.21 -1.04 2.25 5.85 -1.81 -2.08 115.31 119.61 1ids h LEU 61 Ca 0.20 -0.41 -0.04 0.00 0.84 0.00 0.00 57.88 58.47 1ids h LEU 61 Cb 0.36 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.31 1ids h LEU 61 CO 0.00 0.57 0.20 0.78 -0.34 0.00 0.00 178.44 179.65 1ids h ASN 62 N -0.15 0.82 0.26 1.25 -0.26 -1.24 -0.10 115.58 116.16 1ids h ASN 62 Ca 0.02 -0.13 -0.18 0.00 -0.56 0.00 0.00 56.30 55.46 1ids h ASN 62 Cb 0.49 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.53 1ids h ASN 62 CO 0.01 0.76 -0.71 -0.33 -1.06 0.00 0.00 177.43 176.11 1ids h GLU 63 N 0.87 0.39 -0.16 0.81 4.39 -1.25 -1.86 114.58 117.78 1ids h GLU 63 Ca 0.20 -0.31 -0.13 0.00 0.34 0.00 0.00 59.36 59.46 1ids h GLU 63 Cb 0.23 0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1ids h GLU 63 CO -0.01 0.95 -0.41 -0.22 -1.16 0.00 0.00 179.01 178.15 1ids h LYS 64 N 0.27 0.56 -0.50 2.33 3.64 -1.03 -2.03 116.57 119.80 1ids h LYS 64 Ca -0.03 -0.39 -0.06 0.00 -1.27 0.00 0.00 60.65 58.91 1ids h LYS 64 Cb 1.27 0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 33.13 1ids h LYS 64 CO 0.12 1.01 0.07 -0.91 -2.27 0.00 0.00 179.45 177.47 1ids h ASN 65 N 0.20 0.75 0.39 4.20 2.35 -1.05 -1.20 115.58 121.22 1ids h ASN 65 Ca -0.01 -0.15 -0.02 0.00 -0.55 0.00 0.00 56.30 55.57 1ids h ASN 65 Cb 1.03 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.21 1ids h ASN 65 CO 0.09 0.77 -0.19 0.25 -1.65 0.00 0.00 177.43 176.70 1ids h LEU 66 N 0.76 -0.45 -0.03 1.61 5.85 -1.30 -2.46 115.31 119.29 1ids h LEU 66 Ca 0.16 -0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1ids h LEU 66 Cb 0.36 0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 1ids h LEU 66 CO 0.01 -0.19 0.01 0.00 -0.34 0.00 0.00 178.44 177.92 1ids h ALA 67 N -0.15 0.03 -0.25 1.25 0.00 -1.29 0.04 119.26 118.89 1ids h ALA 67 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1ids h ALA 67 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ids h ALA 67 CO 0.09 -0.48 0.13 0.35 0.00 0.00 0.00 179.25 179.34 1ids h PHE 68 N 0.02 0.36 0.06 0.00 3.57 -1.28 -0.80 116.94 118.89 1ids h PHE 68 Ca 0.01 -0.02 -0.25 0.00 3.53 0.00 0.00 57.97 61.25 1ids h PHE 68 Cb 0.00 -0.11 0.02 0.00 2.79 0.00 0.00 35.95 38.65 1ids h PHE 68 CO -0.08 0.34 -1.01 -0.91 -2.23 0.00 0.00 178.31 174.41 1ids h ASN 69 N 0.28 0.78 -0.76 0.41 2.35 -1.48 -1.18 115.58 115.98 1ids h ASN 69 Ca 0.09 -0.80 -0.05 0.00 -0.55 0.00 0.00 56.30 54.99 1ids h ASN 69 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.20 1ids h ASN 69 CO -0.01 1.49 0.27 0.25 -1.65 0.00 0.00 177.43 177.78 1ids h LEU 70 N 0.17 1.09 -0.34 1.61 5.85 -1.00 0.15 115.31 122.84 1ids h LEU 70 Ca -0.14 -0.19 -0.17 0.00 0.84 0.00 0.00 57.88 58.22 1ids h LEU 70 Cb 1.70 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 42.44 1ids h LEU 70 CO 0.20 0.99 -0.44 0.00 -0.34 0.00 0.00 178.44 178.84 1ids h ALA 71 N 1.16 0.51 -0.16 1.25 0.00 -1.20 -0.53 119.26 120.29 1ids h ALA 71 Ca 0.25 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1ids h ALA 71 Cb 0.27 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1ids h ALA 71 CO -0.01 0.65 0.10 0.78 0.00 0.00 0.00 179.25 180.77 1ids h GLY 72 N 0.70 0.22 0.91 0.00 0.00 -0.82 -1.15 103.07 102.93 1ids h GLY 72 Ca 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.28 1ids h GLY 72 CO 0.10 0.08 0.10 0.84 0.00 0.00 0.00 176.54 177.66 1ids h HIS 73 N 0.21 0.33 -0.37 5.60 6.17 -0.90 -2.75 115.15 123.44 1ids h HIS 73 Ca 0.06 -0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.12 1ids h HIS 73 Cb -0.02 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 29.79 1ids h HIS 73 CO -0.07 0.35 0.23 0.28 0.71 0.00 0.00 177.93 179.42 1ids h VAL 74 N 0.22 1.12 -0.71 5.26 2.07 -0.92 -2.22 116.25 121.07 1ids h VAL 74 Ca 0.08 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.29 1ids h VAL 74 Cb 0.15 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 1ids h VAL 74 CO -0.01 0.12 0.32 0.78 0.02 0.00 0.00 177.57 178.81 1ids h ASN 75 N 0.49 0.95 0.30 0.57 2.35 -1.19 -2.97 115.58 116.06 1ids h ASN 75 Ca 0.13 -0.15 -0.20 0.00 -0.55 0.00 0.00 56.30 55.54 1ids h ASN 75 Cb -0.00 -0.24 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 1ids h ASN 75 CO -0.03 0.83 -0.81 0.45 -1.65 0.00 0.00 177.43 176.23 1ids h HIS 76 N 1.00 0.56 -0.72 1.19 3.86 -1.43 -2.18 115.15 117.43 1ids h HIS 76 Ca 0.24 -0.27 0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1ids h HIS 76 Cb 0.15 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.51 1ids h HIS 76 CO 0.01 1.05 0.47 1.15 0.86 0.00 0.00 177.93 181.47 1ids h THR 77 N 0.26 1.17 -0.04 2.45 2.02 -1.35 -1.58 112.91 115.84 1ids h THR 77 Ca -0.05 -0.33 -0.18 0.00 0.77 0.00 0.00 66.41 66.63 1ids h THR 77 Cb 1.41 0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1ids h THR 77 CO 0.14 0.18 -0.75 0.40 0.37 0.00 0.00 175.52 175.85 1ids h ILE 78 N 0.96 1.43 0.04 3.11 2.04 -1.54 -3.21 117.51 120.35 1ids h ILE 78 Ca 0.27 -2.28 0.01 0.00 1.00 0.00 0.00 64.86 63.86 1ids h ILE 78 Cb -0.09 2.22 -0.02 0.00 -0.74 0.00 0.00 36.82 38.19 1ids h ILE 78 CO -0.07 0.67 -0.12 -0.25 0.00 0.00 0.00 178.15 178.39 1ids h TRP 79 N 0.17 -0.30 -0.75 1.37 2.91 -0.73 0.92 115.95 119.55 1ids h TRP 79 Ca -0.03 0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.01 1ids h TRP 79 Cb 1.32 0.13 -0.04 0.00 -0.51 0.00 0.00 29.16 30.06 1ids h TRP 79 CO 0.03 -0.18 0.50 -1.49 -1.03 0.00 0.00 178.44 176.27 1ids h TRP 80 N -0.22 0.92 0.01 2.65 -0.00 -1.36 -2.39 115.95 115.56 1ids h TRP 80 Ca 0.03 0.02 -0.19 0.00 -0.00 0.00 0.00 58.89 58.75 1ids h TRP 80 Cb 0.25 -0.31 -0.02 0.00 -0.00 0.00 0.00 29.16 29.09 1ids h TRP 80 CO -0.16 0.57 -0.88 0.87 -0.00 0.00 0.00 178.44 178.84 1ids h LYS 81 N 0.98 0.13 0.00 0.49 1.79 -1.48 -3.16 116.57 115.32 1ids h LYS 81 Ca 0.28 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 1ids h LYS 81 Cb -0.06 0.05 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1ids h LYS 81 CO -0.07 0.92 0.00 0.09 -1.08 0.00 0.00 179.45 179.32 1ids n ASN 82 N -3.61 0.31 -4.82 0.86 5.03 0.29 -4.75 115.26 108.56 1ids n ASN 82 Ca -0.03 0.55 -0.30 0.00 0.87 0.00 0.00 54.58 55.67 1ids n ASN 82 Cb 0.81 -0.63 -0.06 0.00 -1.02 0.00 0.00 39.78 38.89 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 -3.64 3.98 -0.27 3.41 1.43 -1.08 0.03 118.68 122.55 1ids s LEU 83 Ca 0.09 0.08 -0.25 0.00 -1.03 0.00 0.00 54.13 53.01 1ids s LEU 83 Cb 0.12 -2.64 0.07 0.00 0.03 0.00 0.00 46.19 43.78 1ids s LEU 83 CO 0.43 0.16 0.73 -0.55 0.23 0.00 0.00 176.35 177.35 1ids s SER 84 N -2.47 -0.74 0.38 2.29 0.15 0.29 -4.66 113.70 108.94 1ids s SER 84 Ca 0.31 1.41 0.16 0.00 0.70 0.00 0.00 55.95 58.54 1ids s SER 84 Cb -0.12 1.43 0.76 0.00 -1.71 0.00 0.00 66.02 66.38 1ids s SER 84 CO 0.24 -0.25 1.81 -0.65 1.20 0.00 0.00 173.24 175.59 1ids h PRO 85 N 4.94 0.00 -0.65 5.44 0.11 -1.85 -1.90 132.00 138.09 1ids h PRO 85 Ca -0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1ids h PRO 85 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 1ids h PRO 85 CO 0.06 0.37 0.00 0.09 -0.21 0.00 0.00 178.00 178.31 1ids n ASN 86 N -3.84 4.65 -1.86 -2.05 3.02 -1.26 -4.93 115.26 108.99 1ids n ASN 86 Ca -0.01 -2.64 0.00 0.00 -0.03 0.00 0.00 54.58 51.89 1ids n ASN 86 Cb 0.44 -0.62 0.00 0.00 -0.61 0.00 0.00 39.78 38.99 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 0.67 0.32 0.00 7.41 0.00 -0.71 -5.02 105.19 107.86 1ids n GLY 87 Ca 0.22 -1.85 0.00 0.00 0.00 0.00 0.00 46.02 44.40 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 5.00 -0.04 7.00 -0.02 0.00 -0.33 -4.71 105.19 112.09 1ids n GLY 88 Ca 0.00 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.13 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 0.00 0.00 -4.37 1.61 9.92 -1.26 -4.77 116.55 117.68 1ids n ASP 89 Ca 0.00 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.07 1ids n ASP 89 Cb 0.00 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.38 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 1.39 0.60 -1.24 1.02 -1.26 -5.02 119.74 115.24 1ids s LYS 90 Ca 0.00 -1.65 -0.15 0.00 0.02 0.00 0.00 55.97 54.19 1ids s LYS 90 Cb 0.00 -1.12 -0.03 0.00 -0.52 0.00 0.00 37.83 36.15 1ids s LYS 90 CO 0.00 0.14 1.06 -1.25 -0.92 0.00 0.00 175.35 174.38 1ids s PRO 91 N -3.67 3.28 0.27 -1.68 0.04 -1.26 -5.01 135.00 126.97 1ids s PRO 91 Ca 0.25 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.51 1ids s PRO 91 Cb 0.01 -2.03 -0.06 0.00 0.04 0.00 0.00 34.50 32.46 1ids s PRO 91 CO 0.08 -0.84 0.06 0.95 0.04 0.00 0.00 177.00 177.30 1ids s THR 92 N -2.48 0.85 0.00 1.26 -4.23 -1.26 -4.53 115.64 105.26 1ids s THR 92 Ca 0.63 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.14 1ids s THR 92 Cb -0.16 -2.62 0.00 0.00 1.34 0.00 0.00 72.50 71.06 1ids s THR 92 CO 0.38 -0.07 0.00 0.61 -0.54 0.00 0.00 174.62 175.00 1ids n GLY 93 N -0.52 2.22 0.45 3.99 0.00 -1.26 -3.58 105.19 106.50 1ids n GLY 93 Ca -0.02 -0.48 -0.15 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.68 -0.57 1.61 5.08 -1.99 -2.58 114.58 115.45 1ids h GLU 94 Ca 0.00 0.05 0.12 0.00 -1.00 0.00 0.00 59.36 58.52 1ids h GLU 94 Cb 0.00 0.15 -0.11 0.00 0.50 0.00 0.00 28.75 29.30 1ids h GLU 94 CO 0.00 -0.45 -0.10 1.25 -1.00 0.00 0.00 179.01 178.70 1ids h LEU 95 N -0.71 -0.46 -0.37 1.33 5.85 -1.93 0.31 115.31 119.34 1ids h LEU 95 Ca -0.01 0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.93 1ids h LEU 95 Cb 0.71 0.33 -0.04 0.00 0.37 0.00 0.00 40.66 42.02 1ids h LEU 95 CO -0.27 -0.17 0.10 0.00 -0.34 0.00 0.00 178.44 177.77 1ids h ALA 96 N 1.56 0.41 -0.39 1.25 0.00 -1.57 0.08 119.26 120.60 1ids h ALA 96 Ca 0.28 0.06 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1ids h ALA 96 Cb 0.44 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1ids h ALA 96 CO -0.56 -0.30 -0.23 0.00 0.00 0.00 0.00 179.25 178.16 1ids h ALA 97 N 1.25 0.86 -0.40 0.00 0.00 -0.93 -2.18 119.26 117.86 1ids h ALA 97 Ca 0.17 -0.38 -0.04 0.00 0.00 0.00 0.00 54.91 54.66 1ids h ALA 97 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ids h ALA 97 CO -0.20 0.63 0.09 0.00 0.00 0.00 0.00 179.25 179.78 1ids h ALA 98 N 1.06 0.53 -0.29 0.00 0.00 0.16 -1.28 119.26 119.42 1ids h ALA 98 Ca 0.09 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1ids h ALA 98 Cb 0.75 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ids h ALA 98 CO 0.06 0.21 -0.02 0.82 0.00 0.00 0.00 179.25 180.33 1ids h ILE 99 N 0.51 1.26 -0.69 0.00 2.04 -0.96 0.09 117.51 119.76 1ids h ILE 99 Ca 0.12 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.96 1ids h ILE 99 Cb 0.33 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.69 1ids h ILE 99 CO 0.00 0.31 0.24 0.00 0.00 0.00 0.00 178.15 178.71 1ids h ALA 100 N 0.82 1.13 -0.26 1.87 0.00 -1.34 0.43 119.26 121.90 1ids h ALA 100 Ca 0.08 -0.20 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1ids h ALA 100 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ids h ALA 100 CO 0.02 0.61 -0.43 0.22 0.00 0.00 0.00 179.25 179.67 1ids h ASP 101 N 1.01 0.68 0.58 0.00 1.82 -1.11 0.34 116.42 119.74 1ids h ASP 101 Ca 0.23 -0.32 -0.24 0.00 -0.39 0.00 0.00 57.03 56.32 1ids h ASP 101 Cb 0.24 -0.19 -0.04 0.00 0.68 0.00 0.00 39.33 40.02 1ids h ASP 101 CO -0.01 1.02 -1.59 0.00 -1.61 0.00 0.00 179.24 177.05 1ids n ALA 102 N -2.51 1.70 0.02 -0.78 0.00 0.01 -4.51 120.51 114.43 1ids n ALA 102 Ca -0.02 -0.67 0.00 0.00 0.00 0.00 0.00 53.44 52.75 1ids n ALA 102 Cb 0.54 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 19.10 1ids n ALA 102 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ids n PHE 103 N -2.97 0.00 0.00 0.00 3.72 0.15 -5.01 117.46 113.35 1ids n PHE 103 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1ids n PHE 103 Cb 0.96 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.50 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 0.25 2.84 3.63 1.37 0.00 0.11 -4.43 105.19 108.96 1ids n GLY 104 Ca 0.00 -0.72 -0.10 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.42 0.30 1.61 1.04 -1.24 -4.73 113.70 110.27 1ids s SER 105 Ca 0.00 -0.30 0.02 0.00 0.48 0.00 0.00 55.95 56.15 1ids s SER 105 Cb 0.00 0.66 0.49 0.00 0.10 0.00 0.00 66.02 67.27 1ids s SER 105 CO 0.00 -1.15 1.83 0.15 0.98 0.00 0.00 173.24 175.05 1ids h PHE 106 N 2.00 0.67 -0.03 5.02 3.57 -1.91 -1.63 116.94 124.63 1ids h PHE 106 Ca -0.27 -0.08 -0.13 0.00 3.53 0.00 0.00 57.97 61.02 1ids h PHE 106 Cb 1.28 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.81 1ids h PHE 106 CO 0.33 0.64 -0.60 -0.44 -2.23 0.00 0.00 178.31 176.01 1ids h ASP 107 N 0.61 0.11 0.76 0.41 3.32 -1.96 -0.51 116.42 119.17 1ids h ASP 107 Ca 0.13 -0.06 -0.14 0.00 0.02 0.00 0.00 57.03 56.97 1ids h ASP 107 Cb 0.37 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 39.87 1ids h ASP 107 CO 0.01 0.68 -0.67 0.11 -1.72 0.00 0.00 179.24 177.66 1ids h LYS 108 N 0.07 0.00 -0.19 3.56 1.57 -1.71 -2.34 116.57 117.53 1ids h LYS 108 Ca -0.01 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.61 1ids h LYS 108 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1ids h LYS 108 CO 0.08 0.67 -0.52 0.35 -0.57 0.00 0.00 179.45 179.46 1ids h PHE 109 N 0.00 0.88 -0.35 -1.35 3.57 -1.04 -2.92 116.94 115.73 1ids h PHE 109 Ca -0.01 -0.35 -0.00 0.00 3.53 0.00 0.00 57.97 61.15 1ids h PHE 109 Cb 1.23 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.80 1ids h PHE 109 CO 0.00 1.14 0.22 -0.09 -2.23 0.00 0.00 178.31 177.35 1ids h ARG 110 N 0.37 0.47 -0.67 1.11 2.43 -0.97 -1.49 114.38 115.63 1ids h ARG 110 Ca -0.01 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1ids h ARG 110 Cb 1.14 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.55 1ids h ARG 110 CO 0.11 0.34 0.41 0.00 -1.51 0.00 0.00 179.97 179.33 1ids h ALA 111 N 1.10 0.86 -0.12 2.80 0.00 -1.47 -0.05 119.26 122.38 1ids h ALA 111 Ca 0.13 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1ids h ALA 111 Cb -0.01 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ids h ALA 111 CO -0.03 0.32 -0.19 0.37 0.00 0.00 0.00 179.25 179.73 1ids h GLN 112 N 0.92 0.34 -0.94 0.00 4.15 -1.33 -1.97 115.11 116.28 1ids h GLN 112 Ca 0.24 -0.21 0.04 0.00 0.77 0.00 0.00 58.65 59.50 1ids h GLN 112 Cb -0.04 0.02 -0.06 0.00 0.21 0.00 0.00 27.48 27.61 1ids h GLN 112 CO -0.05 0.79 0.60 0.35 -1.93 0.00 0.00 178.83 178.60 1ids h PHE 113 N -0.08 1.13 -0.07 3.99 3.57 -1.17 -0.72 116.94 123.59 1ids h PHE 113 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1ids h PHE 113 Cb 0.76 -0.37 -0.00 0.00 2.79 0.00 0.00 35.95 39.13 1ids h PHE 113 CO 0.10 0.63 -0.01 1.25 -2.23 0.00 0.00 178.31 178.06 1ids h HIS 114 N 1.16 0.14 -0.47 0.41 2.76 -0.98 -2.06 115.15 116.10 1ids h HIS 114 Ca 0.38 -0.03 0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1ids h HIS 114 Cb 0.04 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 28.94 1ids h HIS 114 CO -0.01 0.42 0.31 0.00 -1.30 0.00 0.00 177.93 177.35 1ids h ALA 115 N 0.70 0.60 -0.87 5.26 0.00 -1.05 -1.11 119.26 122.78 1ids h ALA 115 Ca 0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1ids h ALA 115 Cb 0.37 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1ids h ALA 115 CO 0.00 0.03 0.51 0.00 0.00 0.00 0.00 179.25 179.79 1ids h ALA 116 N 1.18 1.25 -0.36 0.00 0.00 -1.11 -2.32 119.26 117.91 1ids h ALA 116 Ca 0.18 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 1ids h ALA 116 Cb -0.06 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 1ids h ALA 116 CO -0.05 0.63 -0.24 0.00 0.00 0.00 0.00 179.25 179.59 1ids h ALA 117 N 1.35 0.52 -0.13 0.00 0.00 -0.96 -3.28 119.26 116.76 1ids h ALA 117 Ca 0.31 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.84 1ids h ALA 117 Cb -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ids h ALA 117 CO -0.06 0.50 0.00 0.25 0.00 0.00 0.00 179.25 179.94 1ids n THR 118 N -4.24 0.15 -0.02 0.00 -2.24 -0.46 -4.14 114.28 103.34 1ids n THR 118 Ca -0.02 -0.37 0.04 0.00 -2.27 0.00 0.00 64.05 61.43 1ids n THR 118 Cb 0.45 0.58 0.10 0.00 -2.10 0.00 0.00 70.33 69.35 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 0.49 0.76 -2.01 4.28 -2.24 -0.89 -5.02 114.28 109.65 1ids n THR 119 Ca 0.17 -0.88 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 1ids n THR 119 Cb 0.39 0.66 -0.02 0.00 -2.10 0.00 0.00 70.33 69.27 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 -0.93 2.60 -1.03 2.28 1.01 -1.25 -4.92 120.40 118.15 1ids s VAL 120 Ca 0.16 0.53 -0.10 0.00 0.00 0.00 0.00 61.98 62.57 1ids s VAL 120 Cb 0.09 -3.34 0.26 0.00 0.00 0.00 0.00 36.38 33.39 1ids s VAL 120 CO 0.12 0.10 1.00 -1.10 0.00 0.00 0.00 175.10 175.22 1ids s GLN 121 N -0.84 3.99 0.00 2.72 -0.21 -1.26 -4.88 119.66 119.18 1ids s GLN 121 Ca 0.57 -3.04 0.00 0.00 0.02 0.00 0.00 55.36 52.90 1ids s GLN 121 Cb -0.42 -4.48 0.00 0.00 1.00 0.00 0.00 33.01 29.11 1ids s GLN 121 CO 0.47 -1.25 0.00 0.41 -2.12 0.00 0.00 175.29 172.80 1ids n GLY 122 N 2.98 0.12 3.84 3.09 0.00 -1.26 -5.04 105.19 108.92 1ids n GLY 122 Ca 0.21 -1.93 -0.34 0.00 0.00 0.00 0.00 46.02 43.97 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 6.88 0.00 1.61 0.01 -1.26 -4.92 113.70 112.02 1ids s SER 123 Ca 0.00 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.60 1ids s SER 123 Cb 0.00 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.84 1ids s SER 123 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1ids n GLY 124 N 0.04 -1.38 3.17 3.44 0.00 -1.26 -0.33 105.19 108.86 1ids n GLY 124 Ca 0.01 -1.02 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.27 0.90 -0.15 1.61 0.52 -0.36 -1.09 118.94 118.09 1ids s TRP 125 Ca 0.00 -1.12 -0.04 0.00 0.02 0.00 0.00 56.10 54.96 1ids s TRP 125 Cb 0.00 -0.53 -0.03 0.00 -1.15 0.00 0.00 33.47 31.76 1ids s TRP 125 CO 0.00 -0.38 -0.01 0.00 0.02 0.00 0.00 176.95 176.59 1ids s ALA 126 N -3.88 3.15 0.01 0.98 0.00 -0.56 -1.65 121.76 119.81 1ids s ALA 126 Ca 0.20 -0.80 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1ids s ALA 126 Cb 0.07 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.56 1ids s ALA 126 CO -0.00 0.28 -0.01 0.00 0.00 0.00 0.00 175.76 176.02 1ids s ALA 127 N 0.13 0.05 -0.32 0.00 0.00 -0.19 -1.65 121.76 119.78 1ids s ALA 127 Ca 0.01 -0.18 -0.11 0.00 0.00 0.00 0.00 51.96 51.69 1ids s ALA 127 Cb -0.13 0.04 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 1ids s ALA 127 CO 0.02 -0.04 0.18 -1.17 0.00 0.00 0.00 175.76 174.75 1ids s LEU 128 N -0.42 4.26 0.29 0.00 2.96 0.01 -0.19 118.68 125.59 1ids s LEU 128 Ca -0.04 -0.52 0.03 0.00 -0.22 0.00 0.00 54.13 53.38 1ids s LEU 128 Cb -0.03 -2.04 -0.06 0.00 0.50 0.00 0.00 46.19 44.56 1ids s LEU 128 CO -0.00 -0.22 0.06 -0.83 -1.32 0.00 0.00 176.35 174.04 1ids s GLY 129 N 1.64 1.89 -0.27 7.98 0.00 0.14 -0.15 107.32 118.55 1ids s GLY 129 Ca 0.05 -1.96 -0.06 0.00 0.00 0.00 0.00 44.72 42.75 1ids s GLY 129 CO 0.07 -1.73 0.05 0.86 0.00 0.00 0.00 173.10 172.36 1ids s TRP 130 N -3.45 3.11 -0.57 1.90 -0.11 0.31 -0.68 118.94 119.44 1ids s TRP 130 Ca 0.36 -0.92 -0.23 0.00 1.22 0.00 0.00 56.10 56.53 1ids s TRP 130 Cb 0.08 -2.22 0.05 0.00 -1.50 0.00 0.00 33.47 29.88 1ids s TRP 130 CO 0.14 -0.55 0.89 0.34 -4.62 0.00 0.00 176.95 173.15 1ids s ASP 131 N 1.51 6.27 0.36 5.86 2.15 -0.06 -1.56 116.67 131.19 1ids s ASP 131 Ca 0.03 -0.64 0.06 0.00 0.43 0.00 0.00 52.55 52.44 1ids s ASP 131 Cb -0.16 -2.40 0.75 0.00 -0.30 0.00 0.00 42.92 40.80 1ids s ASP 131 CO 0.01 -1.23 1.94 0.71 -0.17 0.00 0.00 175.17 176.44 1ids h THR 132 N 5.98 0.99 0.42 1.71 1.35 -1.87 0.45 112.91 121.93 1ids h THR 132 Ca -0.27 -0.26 -0.02 0.00 -0.55 0.00 0.00 66.41 65.31 1ids h THR 132 Cb 1.08 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ids h THR 132 CO 1.09 0.14 -0.20 0.25 -0.25 0.00 0.00 175.52 176.55 1ids h LEU 133 N 0.76 -0.48 -0.14 3.87 5.85 -1.91 -3.30 115.31 119.95 1ids h LEU 133 Ca 0.34 0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1ids h LEU 133 Cb 0.35 0.12 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1ids h LEU 133 CO -0.12 -0.24 -0.12 0.61 -0.34 0.00 0.00 178.44 178.22 1ids n GLY 134 N -0.34 -1.11 3.61 3.75 0.00 -1.22 -4.94 105.19 104.94 1ids n GLY 134 Ca -0.07 -0.23 -0.22 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.14 -2.68 -4.28 1.61 5.03 0.16 -5.00 115.26 108.96 1ids n ASN 135 Ca 0.12 -0.82 -0.24 0.00 0.87 0.00 0.00 54.58 54.52 1ids n ASN 135 Cb 0.29 -4.21 -0.12 0.00 -1.02 0.00 0.00 39.78 34.72 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 -5.70 1.11 -0.20 3.52 1.02 -1.05 -4.96 119.74 113.49 1ids s LYS 136 Ca 0.14 -1.14 -0.17 0.00 0.02 0.00 0.00 55.97 54.82 1ids s LYS 136 Cb -0.04 -1.36 -0.04 0.00 -0.52 0.00 0.00 37.83 35.88 1ids s LYS 136 CO 0.80 0.32 0.45 -0.51 -0.92 0.00 0.00 175.35 175.49 1ids s LEU 137 N -1.88 4.15 0.05 3.17 1.43 -1.26 -0.88 118.68 123.46 1ids s LEU 137 Ca 0.06 0.59 0.00 0.00 -1.03 0.00 0.00 54.13 53.75 1ids s LEU 137 Cb -0.10 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 1ids s LEU 137 CO 0.04 -0.12 -0.05 -0.76 0.23 0.00 0.00 176.35 175.70 1ids s LEU 138 N 1.43 2.40 -0.18 1.79 1.43 0.14 -4.96 118.68 120.73 1ids s LEU 138 Ca 0.21 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.43 1ids s LEU 138 Cb -0.15 0.06 -0.04 0.00 0.03 0.00 0.00 46.19 46.09 1ids s LEU 138 CO 0.09 -0.44 0.05 -0.63 0.23 0.00 0.00 176.35 175.65 1ids s ILE 139 N -2.88 4.64 0.08 -0.59 1.01 -1.26 0.27 121.20 122.47 1ids s ILE 139 Ca -0.00 -0.09 0.09 0.00 0.00 0.00 0.00 60.65 60.65 1ids s ILE 139 Cb 0.00 -3.09 -0.04 0.00 0.01 0.00 0.00 42.46 39.35 1ids s ILE 139 CO -0.05 0.46 -0.21 -0.36 0.00 0.00 0.00 174.94 174.77 1ids s PHE 140 N 0.45 2.47 -0.52 3.97 0.08 0.74 -4.96 117.98 120.20 1ids s PHE 140 Ca 0.02 -0.31 -0.09 0.00 0.12 0.00 0.00 56.93 56.67 1ids s PHE 140 Cb -0.13 -1.38 0.13 0.00 -0.57 0.00 0.00 43.02 41.07 1ids s PHE 140 CO 0.01 0.28 0.40 -1.14 -0.10 0.00 0.00 175.22 174.67 1ids s GLN 141 N -1.70 2.61 -0.01 0.44 0.74 -1.26 -1.02 119.66 119.46 1ids s GLN 141 Ca 0.15 -1.91 -0.30 0.00 0.05 0.00 0.00 55.36 53.35 1ids s GLN 141 Cb -0.10 -3.97 -0.03 0.00 1.10 0.00 0.00 33.01 30.01 1ids s GLN 141 CO 0.06 -1.21 1.01 0.08 -0.55 0.00 0.00 175.29 174.68 1ids s VAL 142 N 1.12 4.76 -0.06 1.34 1.01 -0.66 -4.67 120.40 123.24 1ids s VAL 142 Ca 0.08 1.99 -0.12 0.00 0.00 0.00 0.00 61.98 63.93 1ids s VAL 142 Cb -0.24 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 31.81 1ids s VAL 142 CO -0.02 0.14 0.29 -0.31 0.00 0.00 0.00 175.10 175.20 1ids s TYR 143 N 1.14 3.66 0.00 5.22 2.02 0.76 -1.23 117.35 128.92 1ids s TYR 143 Ca 0.52 0.78 0.00 0.00 -0.37 0.00 0.00 57.07 58.01 1ids s TYR 143 Cb -0.22 -2.16 0.00 0.00 -0.40 0.00 0.00 41.96 39.19 1ids s TYR 143 CO 0.27 0.65 0.00 -0.25 -1.57 0.00 0.00 175.55 174.65 1ids n ASP 144 N 2.02 0.00 0.00 2.29 8.00 0.55 -2.69 116.55 126.72 1ids n ASP 144 Ca -0.16 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1ids n ASP 144 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.63 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 8.40 0.00 -1.74 1.24 8.25 -1.26 -4.10 115.22 126.01 1ids n HIS 145 Ca 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.39 1ids n HIS 145 Cb 0.00 0.00 0.14 0.00 1.12 0.00 0.00 29.99 31.25 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 -1.00 2.38 -3.85 -0.41 0.00 -1.23 -4.74 117.38 108.53 1ids n GLN 146 Ca 0.00 -3.62 -0.12 0.00 0.00 0.00 0.00 57.00 53.26 1ids n GLN 146 Cb 0.15 -1.89 -0.11 0.00 0.00 0.00 0.00 30.24 28.39 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 -3.77 0.05 0.00 -0.39 2.01 -1.09 -4.94 115.64 107.51 1ids s THR 147 Ca 0.44 -0.44 0.00 0.00 0.31 0.00 0.00 61.69 61.99 1ids s THR 147 Cb 0.39 -0.36 0.00 0.00 0.01 0.00 0.00 72.50 72.54 1ids s THR 147 CO -0.02 -0.24 0.00 -3.20 -0.69 0.00 0.00 174.62 170.46 1ids n ASN 148 N 2.00 -1.41 -3.49 3.53 5.15 -1.26 -0.17 115.26 119.61 1ids n ASN 148 Ca -0.19 0.00 -0.15 0.00 -0.60 0.00 0.00 54.58 53.64 1ids n ASN 148 Cb 0.57 -0.35 -0.04 0.00 -0.53 0.00 0.00 39.78 39.42 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 -2.68 -0.60 0.72 1.20 -0.12 -1.26 -4.43 117.98 110.81 1ids s PHE 149 Ca 0.00 0.81 -0.07 0.00 -0.05 0.00 0.00 56.93 57.62 1ids s PHE 149 Cb 0.00 0.47 0.07 0.00 -0.63 0.00 0.00 43.02 42.93 1ids s PHE 149 CO 0.00 -0.68 1.04 -1.25 -0.05 0.00 0.00 175.22 174.27 1ids s PRO 150 N -2.14 2.08 0.47 1.99 0.04 -1.26 -5.07 135.00 131.12 1ids s PRO 150 Ca -0.06 -0.28 -0.20 0.00 0.04 0.00 0.00 61.00 60.50 1ids s PRO 150 Cb -0.00 -2.15 -0.09 0.00 0.04 0.00 0.00 34.50 32.30 1ids s PRO 150 CO 0.01 -1.33 1.00 -0.51 0.04 0.00 0.00 177.00 176.21 1ids s LEU 151 N -5.29 3.84 0.00 -3.56 1.43 -1.26 -3.88 118.68 109.96 1ids s LEU 151 Ca 0.61 1.78 0.00 0.00 -1.03 0.00 0.00 54.13 55.50 1ids s LEU 151 Cb -0.10 -4.54 0.00 0.00 0.03 0.00 0.00 46.19 41.57 1ids s LEU 151 CO 0.45 -0.61 0.00 0.61 0.23 0.00 0.00 176.35 177.04 1ids n GLY 152 N -0.60 0.98 3.70 -3.19 0.00 -1.26 -5.01 105.19 99.81 1ids n GLY 152 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.66 3.96 -0.39 -0.61 -1.09 -1.25 -4.33 121.20 113.83 1ids s ILE 153 Ca 0.00 1.37 -0.17 0.00 -2.23 0.00 0.00 60.65 59.62 1ids s ILE 153 Cb 0.00 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 1ids s ILE 153 CO 0.00 0.06 0.43 -0.69 -1.23 0.00 0.00 174.94 173.50 1ids s VAL 154 N 1.64 5.10 0.21 2.92 1.01 -0.60 -4.88 120.40 125.79 1ids s VAL 154 Ca 0.59 -0.15 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1ids s VAL 154 Cb -0.29 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.03 1ids s VAL 154 CO 0.27 -0.31 1.27 -2.16 0.00 0.00 0.00 175.10 174.17 1ids s PRO 155 N 2.14 4.43 -0.06 2.72 0.04 -1.26 -0.53 135.00 142.47 1ids s PRO 155 Ca 0.13 2.00 -0.08 0.00 0.04 0.00 0.00 61.00 63.09 1ids s PRO 155 Cb -0.17 -3.20 -0.04 0.00 0.04 0.00 0.00 34.50 31.14 1ids s PRO 155 CO 0.13 -0.18 -0.17 1.28 0.04 0.00 0.00 177.00 178.10 1ids n LEU 156 N 2.43 1.34 -3.94 -3.56 4.77 0.79 -4.93 117.00 113.89 1ids n LEU 156 Ca 0.05 0.21 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 1ids n LEU 156 Cb 0.43 -0.49 -0.16 0.00 -2.33 0.00 0.00 43.42 40.87 1ids n LEU 156 CO 0.57 -0.28 -0.43 -0.22 -1.33 0.00 0.00 177.39 175.70 1ids s LEU 157 N -7.22 1.44 0.07 2.23 2.96 -1.11 -4.66 118.68 112.39 1ids s LEU 157 Ca -0.15 -0.19 0.08 0.00 -0.22 0.00 0.00 54.13 53.64 1ids s LEU 157 Cb 0.04 -0.59 -0.03 0.00 0.50 0.00 0.00 46.19 46.10 1ids s LEU 157 CO 0.22 -0.02 -0.21 -0.76 -1.32 0.00 0.00 176.35 174.25 1ids s LEU 158 N 0.83 2.22 -0.26 -0.68 1.43 -1.26 -0.81 118.68 120.16 1ids s LEU 158 Ca -0.12 -0.59 0.00 0.00 -1.03 0.00 0.00 54.13 52.39 1ids s LEU 158 Cb -0.15 -0.96 0.07 0.00 0.03 0.00 0.00 46.19 45.19 1ids s LEU 158 CO 0.01 0.13 -0.01 -0.22 0.23 0.00 0.00 176.35 176.49 1ids s LEU 159 N -1.46 2.63 -0.12 1.79 2.96 -0.66 -4.87 118.68 118.96 1ids s LEU 159 Ca 0.07 -1.34 -0.29 0.00 -0.22 0.00 0.00 54.13 52.35 1ids s LEU 159 Cb -0.09 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.44 1ids s LEU 159 CO 0.03 -0.29 1.54 -0.62 -1.32 0.00 0.00 176.35 175.69 1ids s ASP 160 N 1.42 6.68 -0.09 3.68 -1.08 -1.26 -1.50 116.67 124.53 1ids s ASP 160 Ca -0.01 1.96 0.13 0.00 -0.52 0.00 0.00 52.55 54.11 1ids s ASP 160 Cb -0.18 -2.53 0.35 0.00 -1.46 0.00 0.00 42.92 39.09 1ids s ASP 160 CO -0.10 -0.95 1.27 0.23 0.52 0.00 0.00 175.17 176.15 1ids n MET 161 N 7.10 2.71 -2.33 4.34 2.81 -0.25 -4.88 117.12 126.61 1ids n MET 161 Ca 0.17 -2.36 -0.38 0.00 -1.81 0.00 0.00 57.70 53.32 1ids n MET 161 Cb 0.44 -1.49 -0.02 0.00 -0.71 0.00 0.00 33.22 31.43 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 -1.95 3.12 0.45 2.03 0.52 -1.17 -4.30 118.94 117.63 1ids s TRP 162 Ca 0.29 1.57 0.19 0.00 0.02 0.00 0.00 56.10 58.16 1ids s TRP 162 Cb 0.21 -3.36 1.14 0.00 -1.15 0.00 0.00 33.47 30.31 1ids s TRP 162 CO 0.09 -1.20 1.91 0.93 0.02 0.00 0.00 176.95 178.70 1ids h GLU 163 N 2.69 0.32 0.00 4.98 5.08 -1.94 -0.41 114.58 125.30 1ids h GLU 163 Ca -0.49 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.86 1ids h GLU 163 Cb 1.23 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.41 1ids h GLU 163 CO 0.63 0.21 0.00 -2.39 -1.00 0.00 0.00 179.01 176.46 1ids n HIS 164 N -4.46 0.00 0.14 4.33 1.44 -1.26 -1.22 115.22 114.20 1ids n HIS 164 Ca 0.15 0.00 0.08 0.00 -2.01 0.00 0.00 57.72 55.94 1ids n HIS 164 Cb 0.61 -0.37 0.05 0.00 0.12 0.00 0.00 29.99 30.41 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 2.61 0.74 0.00 1.59 0.00 -1.40 -3.42 119.26 119.37 1ids h ALA 165 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1ids h ALA 165 Cb 0.17 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1ids h ALA 165 CO 0.00 0.31 0.00 1.97 0.00 0.00 0.00 179.25 181.53 1ids n PHE 166 N -3.00 0.00 -0.19 0.00 1.16 -1.03 -4.95 117.46 109.45 1ids n PHE 166 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1ids n PHE 166 Cb 0.64 0.00 0.09 0.00 -1.61 0.00 0.00 39.48 38.60 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 0.10 -0.80 2.97 3.20 -1.37 0.22 116.97 121.30 1ids h TYR 167 Ca 0.00 0.04 0.10 0.00 3.14 0.00 0.00 58.73 62.00 1ids h TYR 167 Cb 0.00 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 1ids h TYR 167 CO 0.00 -0.07 0.52 -0.07 -1.64 0.00 0.00 178.16 176.90 1ids h LEU 168 N 0.20 0.67 0.00 2.82 3.38 -1.89 0.36 115.31 120.84 1ids h LEU 168 Ca 0.30 0.02 -0.45 0.00 0.09 0.00 0.00 57.88 57.84 1ids h LEU 168 Cb 0.45 -0.12 -0.07 0.00 0.09 0.00 0.00 40.66 41.01 1ids h LEU 168 CO -0.42 0.40 -2.52 1.67 0.09 0.00 0.00 178.44 177.66 1ids n GLN 169 N -4.51 0.60 0.00 1.13 7.27 -1.03 -4.65 117.38 116.19 1ids n GLN 169 Ca 0.13 0.24 0.11 0.00 0.07 0.00 0.00 57.00 57.56 1ids n GLN 169 Cb 0.33 -1.50 0.01 0.00 2.41 0.00 0.00 30.24 31.48 1ids n GLN 169 CO 0.00 0.00 0.00 0.66 0.07 0.00 0.00 177.06 177.79 1ids n TYR 170 N -4.03 0.00 -2.22 3.69 4.01 0.76 -5.06 117.16 114.31 1ids n TYR 170 Ca -0.53 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.21 1ids n TYR 170 Cb 0.91 -0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.94 1ids n TYR 170 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1ids n LYS 171 N 0.07 0.00 0.08 -0.72 4.01 0.12 -1.73 118.16 119.98 1ids n LYS 171 Ca 0.10 0.00 0.11 0.00 -0.51 0.00 0.00 58.31 58.01 1ids n LYS 171 Cb 0.48 0.00 0.45 0.00 -0.51 0.00 0.00 35.03 35.45 1ids n LYS 171 CO 0.00 0.00 0.00 0.27 -1.11 0.00 0.00 177.40 176.56 1ids n ASN 172 N 2.13 0.46 -4.26 4.39 6.94 -1.26 -4.38 115.26 119.26 1ids n ASN 172 Ca 0.00 0.58 -0.43 0.00 -0.02 0.00 0.00 54.58 54.71 1ids n ASN 172 Cb 0.00 -0.69 0.00 0.00 -2.36 0.00 0.00 39.78 36.73 1ids n ASN 172 CO 0.00 0.00 0.00 0.52 -1.03 0.00 0.00 177.26 176.75 1ids n VAL 173 N -1.97 3.96 0.26 3.53 0.31 -0.71 -4.75 118.33 118.96 1ids n VAL 173 Ca 0.04 -4.05 0.12 0.00 -0.01 0.00 0.00 64.34 60.44 1ids n VAL 173 Cb 0.28 -2.44 0.70 0.00 -0.91 0.00 0.00 33.84 31.47 1ids n VAL 173 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 1ids h LYS 174 N 6.86 0.00 0.00 5.55 2.10 -1.82 -2.95 116.57 126.30 1ids h LYS 174 Ca 0.44 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.98 1ids h LYS 174 Cb 0.79 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 1ids h LYS 174 CO 1.53 0.12 -0.50 -0.39 -2.00 0.00 0.00 179.45 178.21 1ids h VAL 175 N 0.00 0.99 -0.04 0.07 -1.51 -1.96 -2.16 116.25 111.65 1ids h VAL 175 Ca -0.00 -2.03 -0.17 0.00 -1.23 0.00 0.00 66.70 63.26 1ids h VAL 175 Cb 0.32 2.23 -0.01 0.00 -2.13 0.00 0.00 31.29 31.71 1ids h VAL 175 CO 0.02 0.49 -0.75 0.44 -1.23 0.00 0.00 177.57 176.55 1ids h ASP 176 N 0.00 0.30 -0.19 4.19 3.32 -1.93 -1.99 116.42 120.13 1ids h ASP 176 Ca -0.01 -0.21 -0.15 0.00 0.02 0.00 0.00 57.03 56.69 1ids h ASP 176 Cb 1.19 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1ids h ASP 176 CO 0.07 0.94 -0.46 0.15 -1.72 0.00 0.00 179.24 178.22 1ids h PHE 177 N 0.16 0.82 -0.37 4.55 3.57 -1.60 -1.94 116.94 122.14 1ids h PHE 177 Ca -0.03 -0.31 -0.02 0.00 3.53 0.00 0.00 57.97 61.14 1ids h PHE 177 Cb 1.31 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.89 1ids h PHE 177 CO 0.03 1.09 0.16 0.00 -2.23 0.00 0.00 178.31 177.36 1ids h ALA 178 N 0.58 1.60 -0.05 2.41 0.00 -1.28 -2.24 119.26 120.27 1ids h ALA 178 Ca -0.00 -0.09 -0.22 0.00 0.00 0.00 0.00 54.91 54.59 1ids h ALA 178 Cb 1.07 -0.15 0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ids h ALA 178 CO 0.10 0.32 -0.83 0.87 0.00 0.00 0.00 179.25 179.71 1ids h LYS 179 N 0.51 0.66 -0.26 0.00 1.57 -1.30 -3.28 116.57 114.48 1ids h LYS 179 Ca 0.13 -0.64 -0.02 0.00 -1.87 0.00 0.00 60.65 58.25 1ids h LYS 179 Cb 0.08 0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1ids h LYS 179 CO -0.02 1.24 0.07 0.00 -0.57 0.00 0.00 179.45 180.18 1ids h ALA 180 N 0.43 1.64 -0.70 3.86 0.00 -0.89 -3.19 119.26 120.43 1ids h ALA 180 Ca -0.09 -0.10 0.15 0.00 0.00 0.00 0.00 54.91 54.87 1ids h ALA 180 Cb 1.49 -0.11 -0.12 0.00 0.00 0.00 0.00 17.79 19.05 1ids h ALA 180 CO 0.17 0.28 0.03 0.35 0.00 0.00 0.00 179.25 180.07 1ids h PHE 181 N 0.37 -0.00 0.00 0.00 3.57 -1.48 -1.72 116.94 117.67 1ids h PHE 181 Ca 0.09 0.05 0.00 0.00 3.53 0.00 0.00 57.97 61.64 1ids h PHE 181 Cb 0.13 0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.98 1ids h PHE 181 CO 0.00 -0.19 0.02 -1.49 -2.23 0.00 0.00 178.31 174.42 1ids h TRP 182 N 0.13 0.00 0.00 0.41 4.06 -1.73 -1.33 115.95 117.48 1ids h TRP 182 Ca 0.38 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.33 1ids h TRP 182 Cb 0.64 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.80 1ids h TRP 182 CO -0.38 0.00 -0.05 -0.91 -3.56 0.00 0.00 178.44 173.54 1ids h ASN 183 N 0.00 0.00 -0.00 -3.49 2.35 -1.53 -3.32 115.58 109.59 1ids h ASN 183 Ca 0.00 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1ids h ASN 183 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1ids h ASN 183 CO 0.00 0.00 0.00 1.33 -1.65 0.00 0.00 177.43 177.11 1ids n VAL 184 N -3.07 1.89 -2.44 2.81 0.24 -0.51 -3.05 118.33 114.19 1ids n VAL 184 Ca 0.04 -2.26 -0.42 0.00 -2.04 0.00 0.00 64.34 59.66 1ids n VAL 184 Cb 0.53 -0.24 -0.03 0.00 -1.47 0.00 0.00 33.84 32.64 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 -2.87 4.20 -1.18 3.34 1.01 -1.18 -0.55 120.40 123.17 1ids s VAL 185 Ca 0.32 1.54 -0.16 0.00 0.00 0.00 0.00 61.98 63.68 1ids s VAL 185 Cb 0.28 -3.99 0.14 0.00 0.00 0.00 0.00 36.38 32.81 1ids s VAL 185 CO 0.03 0.02 1.45 0.21 0.00 0.00 0.00 175.10 176.81 1ids s ASN 186 N 1.43 6.95 0.58 3.32 2.47 0.10 -1.18 114.94 128.62 1ids s ASN 186 Ca 0.57 -2.71 0.30 0.00 0.42 0.00 0.00 52.86 51.44 1ids s ASN 186 Cb -0.26 -2.44 1.79 0.00 -1.45 0.00 0.00 41.25 38.90 1ids s ASN 186 CO 0.23 -0.90 2.23 -0.50 -3.72 0.00 0.00 177.10 174.45 1ids h TRP 187 N 7.56 0.00 -0.29 0.43 4.06 -1.87 -1.49 115.95 124.35 1ids h TRP 187 Ca 0.31 0.00 -0.07 0.00 2.06 0.00 0.00 58.89 61.20 1ids h TRP 187 Cb 0.90 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 29.04 1ids h TRP 187 CO 1.18 0.02 -0.11 0.00 -3.56 0.00 0.00 178.44 175.97 1ids h ALA 188 N 1.98 1.27 -0.05 1.49 0.00 -1.96 -0.31 119.26 121.68 1ids h ALA 188 Ca -0.00 -0.26 -0.07 0.00 0.00 0.00 0.00 54.91 54.58 1ids h ALA 188 Cb 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.71 1ids h ALA 188 CO 0.00 0.48 -0.23 0.22 0.00 0.00 0.00 179.25 179.72 1ids h ASP 189 N 0.45 0.28 -0.80 0.00 3.58 -1.57 -2.74 116.42 115.61 1ids h ASP 189 Ca 0.09 -0.66 -0.03 0.00 0.42 0.00 0.00 57.03 56.84 1ids h ASP 189 Cb 0.47 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 41.40 1ids h ASP 189 CO 0.03 0.90 0.38 0.58 -2.88 0.00 0.00 179.24 178.25 1ids h VAL 190 N -0.32 1.25 -0.66 2.25 2.07 -1.36 -1.33 116.25 118.16 1ids h VAL 190 Ca -0.02 -0.71 -0.05 0.00 0.82 0.00 0.00 66.70 66.74 1ids h VAL 190 Cb 0.89 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 1ids h VAL 190 CO 0.05 0.30 0.21 1.56 0.02 0.00 0.00 177.57 179.71 1ids h GLN 191 N 1.14 1.00 -0.36 1.57 4.20 -1.12 -0.96 115.11 120.58 1ids h GLN 191 Ca 0.28 -0.19 -0.09 0.00 0.06 0.00 0.00 58.65 58.71 1ids h GLN 191 Cb 0.12 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 1ids h GLN 191 CO -0.03 0.85 -0.11 1.03 -0.67 0.00 0.00 178.83 179.89 1ids h SER 192 N 0.96 0.72 -0.39 1.46 0.87 -1.14 -2.04 113.55 114.00 1ids h SER 192 Ca 0.22 -0.38 -0.11 0.00 -1.23 0.00 0.00 61.79 60.29 1ids h SER 192 Cb 0.27 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1ids h SER 192 CO -0.01 0.93 -0.14 0.03 -0.53 0.00 0.00 176.83 177.11 1ids h ARG 193 N 0.50 0.85 -0.50 2.24 3.08 -1.00 -2.41 114.38 117.13 1ids h ARG 193 Ca 0.09 -0.31 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 1ids h ARG 193 Cb 0.63 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 1ids h ARG 193 CO 0.04 0.94 0.14 -0.92 -1.07 0.00 0.00 179.97 179.10 1ids h TYR 194 N 0.76 0.83 -0.56 3.04 3.20 -1.06 -1.20 116.97 121.97 1ids h TYR 194 Ca 0.12 -0.09 -0.09 0.00 3.14 0.00 0.00 58.73 61.81 1ids h TYR 194 Cb 0.66 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.67 1ids h TYR 194 CO 0.04 0.73 -0.01 0.00 -1.64 0.00 0.00 178.16 177.27 1ids h ALA 195 N 1.01 0.93 -0.44 1.82 0.00 -1.25 -1.93 119.26 119.40 1ids h ALA 195 Ca 0.16 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1ids h ALA 195 Cb 0.30 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1ids h ALA 195 CO -0.00 0.64 -0.29 0.00 0.00 0.00 0.00 179.25 179.60 1ids h ALA 196 N 1.09 0.62 -0.31 0.00 0.00 -1.26 -2.19 119.26 117.21 1ids h ALA 196 Ca 0.16 -0.42 -0.15 0.00 0.00 0.00 0.00 54.91 54.50 1ids h ALA 196 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1ids h ALA 196 CO 0.03 0.66 -0.41 0.00 0.00 0.00 0.00 179.25 179.53 1ids h ALA 197 N 0.82 0.69 -0.00 0.00 0.00 -1.04 -3.01 119.26 116.72 1ids h ALA 197 Ca 0.09 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.54 1ids h ALA 197 Cb 0.88 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ids h ALA 197 CO 0.08 0.67 -0.20 0.25 0.00 0.00 0.00 179.25 180.04 1ids n THR 198 N -4.04 0.00 0.79 0.00 -2.24 -0.74 -5.04 114.28 103.01 1ids n THR 198 Ca -0.02 -0.06 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1ids n THR 198 Cb 0.54 0.03 0.37 0.00 -2.10 0.00 0.00 70.33 69.17 1ids n THR 198 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30