#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1k6y n LEU 2 N 0.00 6.73 -0.68 4.37 4.77 -1.26 -4.13 117.00 126.80 1k6y n LEU 2 Ca 0.00 -4.36 -0.09 0.00 -0.03 0.00 0.00 56.01 51.53 1k6y n LEU 2 Cb 0.00 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.47 1k6y n LEU 2 CO 0.00 1.21 -0.08 0.47 -1.33 0.00 0.00 177.39 177.66 1k6y n ASP 3 N 5.14 -5.11 0.19 -1.43 8.00 -1.26 -4.84 116.55 117.24 1k6y n ASP 3 Ca 0.46 0.22 0.04 0.00 0.71 0.00 0.00 54.79 56.22 1k6y n ASP 3 Cb 0.38 -3.39 0.37 0.00 -0.02 0.00 0.00 41.12 38.46 1k6y n ASP 3 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1k6y h GLY 4 N 0.00 0.00 1.02 0.44 0.00 -1.87 -2.32 103.07 100.35 1k6y h GLY 4 Ca -0.18 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 1k6y h GLY 4 CO 0.27 0.00 0.54 -2.22 0.00 0.00 0.00 176.54 175.12 1k6y h ILE 5 N 0.00 1.26 -0.02 2.60 2.04 -1.88 0.93 117.51 122.44 1k6y h ILE 5 Ca -0.00 -0.60 -0.00 0.00 1.00 0.00 0.00 64.86 65.25 1k6y h ILE 5 Cb 0.71 -0.02 -0.00 0.00 -0.74 0.00 0.00 36.82 36.77 1k6y h ILE 5 CO 0.05 0.28 0.00 -0.78 0.00 0.00 0.00 178.15 177.70 1k6y h ASP 6 N 1.29 0.04 0.59 1.72 -0.00 -1.83 -2.11 116.42 116.12 1k6y h ASP 6 Ca 0.33 -0.29 -0.02 0.00 -0.00 0.00 0.00 57.03 57.04 1k6y h ASP 6 Cb -0.02 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.30 1k6y h ASP 6 CO -0.06 0.32 -0.36 0.11 -0.00 0.00 0.00 179.24 179.26 1k6y h LYS 7 N -0.25 -0.86 -0.73 0.28 1.57 -1.17 -1.84 116.57 113.57 1k6y h LYS 7 Ca 0.01 0.06 0.16 0.00 -1.87 0.00 0.00 60.65 59.00 1k6y h LYS 7 Cb 0.30 0.20 -0.13 0.00 0.08 0.00 0.00 32.23 32.67 1k6y h LYS 7 CO 0.00 -0.57 -0.07 0.00 -0.57 0.00 0.00 179.45 178.23 1k6y h ALA 8 N -0.55 0.65 -0.75 3.86 0.00 -0.85 0.46 119.26 122.08 1k6y h ALA 8 Ca -0.07 0.25 -0.02 0.00 0.00 0.00 0.00 54.91 55.07 1k6y h ALA 8 Cb 0.72 0.47 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1k6y h ALA 8 CO 0.08 -0.42 0.39 1.96 0.00 0.00 0.00 179.25 181.26 1k6y h GLN 9 N 0.06 1.05 0.12 0.00 4.20 -1.19 -0.60 115.11 118.75 1k6y h GLN 9 Ca 0.38 -0.13 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 1k6y h GLN 9 Cb 0.64 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.21 1k6y h GLN 9 CO -0.69 0.80 -0.08 1.49 -0.67 0.00 0.00 178.83 179.68 1k6y h GLU 10 N 1.04 -0.19 -0.49 1.46 4.81 -0.11 -2.13 114.58 118.96 1k6y h GLU 10 Ca 0.26 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.50 1k6y h GLU 10 Cb 0.06 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1k6y h GLU 10 CO -0.04 -0.12 0.29 1.49 -0.73 0.00 0.00 179.01 179.90 1k6y h GLU 11 N -0.19 0.66 -0.39 1.92 4.81 -0.83 -2.64 114.58 117.92 1k6y h GLU 11 Ca -0.01 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 59.07 1k6y h GLU 11 Cb 0.17 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1k6y h GLU 11 CO 0.00 0.47 -0.15 1.25 -0.73 0.00 0.00 179.01 179.86 1k6y h HIS 12 N 0.68 0.80 0.00 0.92 2.76 -0.67 0.34 115.15 119.98 1k6y h HIS 12 Ca 0.18 -0.15 0.00 0.00 -2.20 0.00 0.00 60.37 58.20 1k6y h HIS 12 Cb -0.02 -0.20 0.00 0.00 1.55 0.00 0.00 27.41 28.74 1k6y h HIS 12 CO 0.00 0.83 0.00 1.49 -1.30 0.00 0.00 177.93 178.95 1k6y h GLU 13 N 0.65 0.00 0.00 5.26 4.81 -1.01 0.56 114.58 124.85 1k6y h GLU 13 Ca 0.11 0.00 -0.18 0.00 -0.13 0.00 0.00 59.36 59.15 1k6y h GLU 13 Cb 0.62 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.97 1k6y h GLU 13 CO 0.04 0.00 -1.60 1.17 -0.73 0.00 0.00 179.01 177.89 1k6y n LYS 14 N -2.60 0.55 0.01 1.92 4.81 -0.68 -4.76 118.16 117.42 1k6y n LYS 14 Ca -0.01 0.23 0.11 0.00 -0.87 0.00 0.00 58.31 57.77 1k6y n LYS 14 Cb 0.12 -1.46 -0.11 0.00 0.02 0.00 0.00 35.03 33.60 1k6y n LYS 14 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1k6y n TYR 15 N -4.38 0.16 -3.59 5.64 4.01 0.11 -4.99 117.16 114.12 1k6y n TYR 15 Ca -0.30 0.05 -0.20 0.00 -0.16 0.00 0.00 57.90 57.28 1k6y n TYR 15 Cb 0.66 -0.47 0.05 0.00 -0.31 0.00 0.00 39.34 39.27 1k6y n TYR 15 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1k6y n HIS 16 N -2.15 -2.03 -1.87 -0.72 8.25 0.20 -4.88 115.22 112.02 1k6y n HIS 16 Ca -0.01 0.84 -0.40 0.00 -0.26 0.00 0.00 57.72 57.89 1k6y n HIS 16 Cb 0.51 -4.48 0.01 0.00 1.12 0.00 0.00 29.99 27.16 1k6y n HIS 16 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 1k6y s SER 17 N -4.21 5.96 0.79 0.41 0.01 -1.26 -4.99 113.70 110.41 1k6y s SER 17 Ca 0.08 2.84 -0.14 0.00 1.31 0.00 0.00 55.95 60.04 1k6y s SER 17 Cb -0.02 -2.65 0.05 0.00 0.21 0.00 0.00 66.02 63.62 1k6y s SER 17 CO 0.79 -1.11 1.03 -3.20 0.41 0.00 0.00 173.24 171.16 1k6y n ASN 18 N -0.14 0.48 -0.04 2.44 5.15 -1.26 -4.81 115.26 117.08 1k6y n ASN 18 Ca 0.05 0.58 -0.06 0.00 -0.60 0.00 0.00 54.58 54.56 1k6y n ASN 18 Cb 0.42 -1.44 0.14 0.00 -0.53 0.00 0.00 39.78 38.38 1k6y n ASN 18 CO 0.00 0.00 0.00 4.11 1.40 0.00 0.00 177.26 182.77 1k6y h TRP 19 N -0.77 0.71 -0.63 1.20 5.08 -1.94 -2.48 115.95 117.11 1k6y h TRP 19 Ca -0.46 -0.16 -0.05 0.00 1.08 0.00 0.00 58.89 59.30 1k6y h TRP 19 Cb 1.31 -0.17 -0.03 0.00 -3.00 0.00 0.00 29.16 27.27 1k6y h TRP 19 CO 0.43 0.82 0.18 -0.09 -1.28 0.00 0.00 178.44 178.50 1k6y h ARG 20 N 0.55 0.98 0.02 0.12 9.65 -1.91 -0.65 114.38 123.14 1k6y h ARG 20 Ca 0.08 -0.20 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 1k6y h ARG 20 Cb 0.71 -0.15 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 1k6y h ARG 20 CO 0.05 0.85 -0.01 0.00 2.80 0.00 0.00 179.97 183.66 1k6y h ALA 21 N 1.25 -0.03 -0.55 2.80 0.00 -1.87 -1.40 119.26 119.47 1k6y h ALA 21 Ca 0.21 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1k6y h ALA 21 Cb 0.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 1k6y h ALA 21 CO -0.00 -0.46 0.09 0.52 0.00 0.00 0.00 179.25 179.40 1k6y h MET 22 N -0.15 0.90 -0.87 0.00 2.86 -1.28 0.73 114.93 117.12 1k6y h MET 22 Ca -0.00 -0.24 0.02 0.00 -2.06 0.00 0.00 59.70 57.41 1k6y h MET 22 Cb 0.14 -0.11 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 1k6y h MET 22 CO 0.00 0.87 0.58 0.00 1.06 0.00 0.00 176.91 179.42 1k6y h ALA 23 N 0.99 1.40 0.00 6.32 0.00 -1.07 0.09 119.26 126.99 1k6y h ALA 23 Ca 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 1k6y h ALA 23 Cb 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1k6y h ALA 23 CO 0.01 0.54 -0.07 1.03 0.00 0.00 0.00 179.25 180.77 1k6y h SER 24 N 1.16 0.05 0.63 0.00 0.87 -0.87 -1.74 113.55 113.65 1k6y h SER 24 Ca 0.33 -0.84 -0.11 0.00 -1.23 0.00 0.00 61.79 59.94 1k6y h SER 24 Cb -0.09 -0.02 -0.02 0.00 -0.44 0.00 0.00 62.40 61.84 1k6y h SER 24 CO -0.08 0.89 -0.51 0.44 -0.53 0.00 0.00 176.83 177.04 1k6y h ASP 25 N -0.78 0.00 -0.23 6.23 3.32 0.57 -3.25 116.42 122.29 1k6y h ASP 25 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1k6y h ASP 25 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 1k6y h ASP 25 CO 0.01 0.51 0.00 0.49 -1.72 0.00 0.00 179.24 178.53 1k6y n PHE 26 N -3.78 0.43 -3.75 4.55 3.01 0.01 -5.00 117.46 112.93 1k6y n PHE 26 Ca -0.01 -0.62 -0.34 0.00 1.01 0.00 0.00 57.45 57.49 1k6y n PHE 26 Cb 0.55 -0.10 0.04 0.00 -0.01 0.00 0.00 39.48 39.96 1k6y n PHE 26 CO 0.00 0.00 0.00 0.09 1.01 0.00 0.00 176.76 177.86 1k6y n ASN 27 N -0.08 -5.03 -4.44 4.37 3.02 -0.98 -3.92 115.26 108.20 1k6y n ASN 27 Ca 0.12 -1.07 -0.28 0.00 -0.03 0.00 0.00 54.58 53.32 1k6y n ASN 27 Cb 0.51 -3.09 -0.12 0.00 -0.61 0.00 0.00 39.78 36.47 1k6y n ASN 27 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1k6y s LEU 28 N -6.65 2.51 0.39 3.41 1.43 -0.69 -3.32 118.68 115.75 1k6y s LEU 28 Ca 0.47 -0.73 -0.26 0.00 -1.03 0.00 0.00 54.13 52.59 1k6y s LEU 28 Cb -0.18 -1.32 -0.09 0.00 0.03 0.00 0.00 46.19 44.63 1k6y s LEU 28 CO 0.88 0.15 1.16 -2.16 0.23 0.00 0.00 176.35 176.62 1k6y s PRO 29 N -2.35 4.12 0.34 1.29 0.04 -1.26 -4.55 135.00 132.62 1k6y s PRO 29 Ca 0.18 1.83 0.13 0.00 0.04 0.00 0.00 61.00 63.19 1k6y s PRO 29 Cb -0.09 -2.73 1.00 0.00 0.04 0.00 0.00 34.50 32.72 1k6y s PRO 29 CO 0.09 -0.26 1.71 -1.00 0.04 0.00 0.00 177.00 177.58 1k6y h PRO 30 N 2.76 0.44 -0.28 0.56 0.13 -1.93 0.74 132.00 134.41 1k6y h PRO 30 Ca -0.49 -0.03 -0.03 0.00 -0.87 0.00 0.00 66.00 64.59 1k6y h PRO 30 Cb 1.23 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.25 1k6y h PRO 30 CO 0.63 0.29 0.05 0.28 -0.23 0.00 0.00 178.00 179.02 1k6y h VAL 31 N 0.45 1.15 -0.20 1.56 2.07 -1.98 0.78 116.25 120.07 1k6y h VAL 31 Ca 0.68 -0.54 -0.15 0.00 0.82 0.00 0.00 66.70 67.51 1k6y h VAL 31 Cb 1.47 0.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 1k6y h VAL 31 CO -0.50 0.19 -0.47 0.58 0.02 0.00 0.00 177.57 177.39 1k6y h VAL 32 N 0.40 1.32 -0.62 2.57 2.07 -1.23 -2.68 116.25 118.07 1k6y h VAL 32 Ca 0.10 -1.70 -0.04 0.00 0.82 0.00 0.00 66.70 65.88 1k6y h VAL 32 Cb 0.19 1.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 1k6y h VAL 32 CO -0.00 0.53 0.23 0.00 0.02 0.00 0.00 177.57 178.35 1k6y h ALA 33 N 0.60 1.24 -0.17 1.67 0.00 -0.83 -2.29 119.26 119.47 1k6y h ALA 33 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 1k6y h ALA 33 Cb 1.08 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 1k6y h ALA 33 CO 0.10 0.55 -0.27 0.87 0.00 0.00 0.00 179.25 180.51 1k6y h LYS 34 N 0.90 0.32 -0.33 0.00 1.57 -0.81 -2.87 116.57 115.34 1k6y h LYS 34 Ca 0.21 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 1k6y h LYS 34 Cb 0.20 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1k6y h LYS 34 CO -0.02 0.57 0.09 0.93 -0.57 0.00 0.00 179.45 180.45 1k6y h GLU 35 N 0.29 0.53 -0.72 3.15 4.39 -1.07 -0.21 114.58 120.94 1k6y h GLU 35 Ca 0.04 -0.12 0.11 0.00 0.34 0.00 0.00 59.36 59.73 1k6y h GLU 35 Cb 0.63 -0.07 -0.08 0.00 -0.10 0.00 0.00 28.75 29.13 1k6y h GLU 35 CO 0.05 0.58 0.33 0.82 -1.16 0.00 0.00 179.01 179.63 1k6y h ILE 36 N 0.38 0.79 0.01 3.13 2.04 -1.28 0.30 117.51 122.88 1k6y h ILE 36 Ca 0.11 -0.19 -0.00 0.00 1.00 0.00 0.00 64.86 65.78 1k6y h ILE 36 Cb 0.29 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.56 1k6y h ILE 36 CO 0.00 0.10 -0.01 0.58 0.00 0.00 0.00 178.15 178.82 1k6y h VAL 37 N 0.55 1.10 0.00 1.67 2.07 -1.27 -2.58 116.25 117.79 1k6y h VAL 37 Ca 0.37 -0.34 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 1k6y h VAL 37 Cb 0.45 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 1k6y h VAL 37 CO -0.31 0.09 -0.03 0.00 0.02 0.00 0.00 177.57 177.34 1k6y h ALA 38 N 0.83 1.47 0.00 1.67 0.00 0.16 -1.71 119.26 121.68 1k6y h ALA 38 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k6y h ALA 38 Cb 0.16 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1k6y h ALA 38 CO 0.00 0.03 -0.18 0.43 0.00 0.00 0.00 179.25 179.53 1k6y n SER 39 N -3.80 0.66 -4.69 0.00 7.64 0.93 -4.83 113.62 109.53 1k6y n SER 39 Ca -0.03 0.41 -0.40 0.00 1.01 0.00 0.00 58.87 59.86 1k6y n SER 39 Cb 0.12 -0.46 -0.05 0.00 -1.01 0.00 0.00 64.21 62.81 1k6y n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1k6y h ASP 41 N 7.04 0.09 0.41 0.00 3.32 -1.88 -3.04 116.42 122.36 1k6y h ASP 41 Ca -0.36 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1k6y h ASP 41 Cb 1.17 -0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.70 1k6y h ASP 41 CO 0.78 0.31 -0.10 0.29 -1.72 0.00 0.00 179.24 178.80 1k6y n LYS 42 N -4.25 0.62 -4.63 3.56 5.02 -1.26 -4.92 118.16 112.30 1k6y n LYS 42 Ca -0.02 -0.19 -0.28 0.00 -2.02 0.00 0.00 58.31 55.81 1k6y n LYS 42 Cb 0.29 -1.50 -0.10 0.00 -0.02 0.00 0.00 35.03 33.70 1k6y n LYS 42 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k6y s GLN 44 N -3.78 0.01 -1.05 0.00 -0.21 -1.26 -4.88 119.66 108.49 1k6y s GLN 44 Ca 0.27 0.25 -0.06 0.00 0.02 0.00 0.00 55.36 55.84 1k6y s GLN 44 Cb 0.07 -0.22 0.02 0.00 1.00 0.00 0.00 33.01 33.88 1k6y s GLN 44 CO 0.14 -0.16 2.73 -0.11 -2.12 0.00 0.00 175.29 175.77 1k6y n LEU 45 N 4.17 7.55 0.00 2.90 7.94 -1.26 -5.03 117.00 133.27 1k6y n LEU 45 Ca -0.27 -4.41 0.00 0.00 -1.11 0.00 0.00 56.01 50.22 1k6y n LEU 45 Cb 0.51 -1.38 0.00 0.00 0.53 0.00 0.00 43.42 43.08 1k6y n LEU 45 CO 0.21 1.95 0.00 0.29 -1.11 0.00 0.00 177.39 178.73 1k6y n LYS 46 N 2.02 0.00 0.00 1.96 5.02 -1.26 -5.09 118.16 120.81 1k6y n LYS 46 Ca 0.61 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.90 1k6y n LYS 46 Cb 0.38 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.39 1k6y n LYS 46 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1k6y s SER 57 N 0.00 6.51 0.24 0.00 0.01 -1.26 -4.75 113.70 114.45 1k6y s SER 57 Ca 0.00 2.82 0.18 0.00 1.31 0.00 0.00 55.95 60.26 1k6y s SER 57 Cb 0.00 -2.63 0.90 0.00 0.21 0.00 0.00 66.02 64.50 1k6y s SER 57 CO 0.00 -0.80 1.54 -0.81 0.41 0.00 0.00 173.24 173.58 1k6y n PRO 58 N 2.08 0.12 0.00 12.44 -0.04 -1.26 -2.15 135.00 146.18 1k6y n PRO 58 Ca 0.07 0.56 0.12 0.00 -0.04 0.00 0.00 63.50 64.21 1k6y n PRO 58 Cb 0.39 -1.84 0.13 0.00 -0.04 0.00 0.00 33.50 32.13 1k6y n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1k6y n GLY 59 N -1.05 0.66 3.74 0.55 0.00 -1.26 -4.95 105.19 102.88 1k6y n GLY 59 Ca -0.00 -0.65 -0.39 0.00 0.00 0.00 0.00 46.02 44.98 1k6y n GLY 59 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6y s ILE 60 N -2.11 4.95 0.09 -0.61 1.01 -0.92 -1.09 121.20 122.52 1k6y s ILE 60 Ca 0.27 1.32 0.05 0.00 0.00 0.00 0.00 60.65 62.29 1k6y s ILE 60 Cb 0.20 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.66 1k6y s ILE 60 CO 0.37 0.36 -0.13 0.26 0.00 0.00 0.00 174.94 175.80 1k6y s TRP 61 N 0.16 1.19 -0.10 3.97 0.52 -0.42 -3.25 118.94 121.02 1k6y s TRP 61 Ca 0.33 -0.53 0.01 0.00 0.02 0.00 0.00 56.10 55.93 1k6y s TRP 61 Cb -0.18 -0.66 -0.02 0.00 -1.15 0.00 0.00 33.47 31.47 1k6y s TRP 61 CO 0.18 0.06 -0.14 -0.65 0.02 0.00 0.00 176.95 176.41 1k6y s GLN 62 N -2.21 3.11 0.04 4.98 -0.21 0.90 -0.28 119.66 126.00 1k6y s GLN 62 Ca 0.02 -0.71 0.08 0.00 0.02 0.00 0.00 55.36 54.77 1k6y s GLN 62 Cb -0.07 -2.53 -0.03 0.00 1.00 0.00 0.00 33.01 31.38 1k6y s GLN 62 CO 0.02 0.32 -0.23 -1.17 -2.12 0.00 0.00 175.29 172.11 1k6y s LEU 63 N 0.05 2.16 0.06 2.90 2.96 -0.25 0.27 118.68 126.83 1k6y s LEU 63 Ca -0.05 -0.54 -0.27 0.00 -0.22 0.00 0.00 54.13 53.04 1k6y s LEU 63 Cb -0.15 -1.10 0.09 0.00 0.50 0.00 0.00 46.19 45.53 1k6y s LEU 63 CO 0.04 0.20 0.98 -0.62 -1.32 0.00 0.00 176.35 175.64 1k6y s ASP 64 N -1.17 -0.23 -0.01 3.68 2.15 -0.53 -4.44 116.67 116.11 1k6y s ASP 64 Ca 0.09 -0.21 0.05 0.00 0.43 0.00 0.00 52.55 52.92 1k6y s ASP 64 Cb -0.09 0.40 -0.03 0.00 -0.30 0.00 0.00 42.92 42.90 1k6y s ASP 64 CO 0.02 -0.70 -0.16 0.00 -0.17 0.00 0.00 175.17 174.15 1k6y s THR 66 N -0.80 1.21 0.07 0.00 -1.32 -0.18 -4.98 115.64 109.63 1k6y s THR 66 Ca 0.13 -2.07 0.09 0.00 -1.21 0.00 0.00 61.69 58.62 1k6y s THR 66 Cb -0.11 -1.92 -0.03 0.00 -1.51 0.00 0.00 72.50 68.94 1k6y s THR 66 CO 0.02 -0.69 -0.25 -1.00 -2.21 0.00 0.00 174.62 170.50 1k6y s HIS 67 N -3.30 2.13 -0.29 9.09 3.76 -1.26 -0.82 115.29 124.60 1k6y s HIS 67 Ca 0.18 -0.40 -0.13 0.00 -0.15 0.00 0.00 55.06 54.57 1k6y s HIS 67 Cb 0.03 -1.24 0.11 0.00 1.11 0.00 0.00 32.58 32.59 1k6y s HIS 67 CO 0.02 0.17 0.68 -1.17 -0.85 0.00 0.00 174.74 173.59 1k6y s LEU 68 N -1.47 -1.04 -1.40 0.89 2.96 -1.04 -4.93 118.68 112.64 1k6y s LEU 68 Ca 0.11 1.53 -0.06 0.00 -0.22 0.00 0.00 54.13 55.48 1k6y s LEU 68 Cb -0.10 2.32 0.01 0.00 0.50 0.00 0.00 46.19 48.92 1k6y s LEU 68 CO 0.03 -0.22 0.84 -0.62 -1.32 0.00 0.00 176.35 175.06 1k6y n GLU 69 N 4.92 -6.07 -1.13 1.98 1.02 -1.26 -2.26 120.64 117.84 1k6y n GLU 69 Ca -0.15 0.84 -0.05 0.00 -0.02 0.00 0.00 57.16 57.78 1k6y n GLU 69 Cb 0.54 -5.69 -0.02 0.00 -0.02 0.00 0.00 31.44 26.25 1k6y n GLU 69 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1k6y n GLY 70 N -1.71 0.62 3.50 0.62 0.00 -1.26 -4.99 105.19 101.96 1k6y n GLY 70 Ca -0.05 -0.15 -0.24 0.00 0.00 0.00 0.00 46.02 45.57 1k6y n GLY 70 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1k6y s LYS 71 N -1.89 1.79 -0.19 1.61 1.02 -0.96 -5.12 119.74 115.99 1k6y s LYS 71 Ca 0.00 -1.65 -0.10 0.00 0.02 0.00 0.00 55.97 54.24 1k6y s LYS 71 Cb 0.00 -1.87 -0.05 0.00 -0.52 0.00 0.00 37.83 35.39 1k6y s LYS 71 CO 0.00 0.35 0.15 0.08 -0.92 0.00 0.00 175.35 175.01 1k6y s VAL 72 N -2.33 5.41 -0.17 3.17 1.01 -1.26 -2.48 120.40 123.75 1k6y s VAL 72 Ca 0.29 0.23 -0.01 0.00 0.00 0.00 0.00 61.98 62.49 1k6y s VAL 72 Cb -0.06 -3.48 -0.00 0.00 0.00 0.00 0.00 36.38 32.84 1k6y s VAL 72 CO 0.15 0.45 -0.12 -0.63 0.00 0.00 0.00 175.10 174.95 1k6y s ILE 73 N 0.26 2.86 -0.25 2.22 1.01 -0.00 -1.11 121.20 126.18 1k6y s ILE 73 Ca 0.09 -0.69 -0.14 0.00 0.00 0.00 0.00 60.65 59.91 1k6y s ILE 73 Cb -0.11 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 1k6y s ILE 73 CO -0.01 0.49 0.31 -0.22 0.00 0.00 0.00 174.94 175.51 1k6y s LEU 74 N 0.97 4.08 -0.05 2.97 2.96 0.11 -1.01 118.68 128.71 1k6y s LEU 74 Ca -0.02 0.26 0.05 0.00 -0.22 0.00 0.00 54.13 54.20 1k6y s LEU 74 Cb -0.15 -2.33 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 1k6y s LEU 74 CO -0.02 -0.09 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.04 1k6y s VAL 75 N 1.63 2.54 -0.05 1.68 1.01 0.13 -1.10 120.40 126.25 1k6y s VAL 75 Ca 0.13 -0.91 0.04 0.00 0.00 0.00 0.00 61.98 61.25 1k6y s VAL 75 Cb -0.15 -1.96 -0.00 0.00 0.00 0.00 0.00 36.38 34.27 1k6y s VAL 75 CO 0.08 0.58 -0.19 0.00 0.00 0.00 0.00 175.10 175.58 1k6y s ALA 76 N -0.46 1.65 -0.09 5.51 0.00 0.81 -1.46 121.76 127.73 1k6y s ALA 76 Ca 0.05 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.30 1k6y s ALA 76 Cb -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.45 1k6y s ALA 76 CO 0.01 0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.96 1k6y s VAL 77 N 0.08 1.64 -0.82 0.00 1.01 0.14 -1.91 120.40 120.54 1k6y s VAL 77 Ca -0.06 -0.77 -0.21 0.00 0.00 0.00 0.00 61.98 60.95 1k6y s VAL 77 Cb -0.13 -1.44 0.10 0.00 0.00 0.00 0.00 36.38 34.91 1k6y s VAL 77 CO 0.03 0.47 1.07 -2.28 0.00 0.00 0.00 175.10 174.39 1k6y s HIS 78 N 0.52 2.89 0.33 5.22 2.46 -0.53 -0.07 115.29 126.11 1k6y s HIS 78 Ca -0.16 -1.00 0.10 0.00 0.47 0.00 0.00 55.06 54.47 1k6y s HIS 78 Cb -0.17 -4.31 0.98 0.00 -0.13 0.00 0.00 32.58 28.95 1k6y s HIS 78 CO 0.06 -1.58 1.60 0.28 -2.47 0.00 0.00 174.74 172.63 1k6y h VAL 79 N 5.96 0.11 0.00 0.89 2.07 -1.86 0.33 116.25 123.74 1k6y h VAL 79 Ca -0.03 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 1k6y h VAL 79 Cb 1.04 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1k6y h VAL 79 CO 1.16 0.02 -0.33 0.00 0.02 0.00 0.00 177.57 178.44 1k6y h ALA 80 N 1.93 1.23 0.00 1.67 0.00 -1.82 -3.33 119.26 118.95 1k6y h ALA 80 Ca 0.69 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 55.25 1k6y h ALA 80 Cb 1.60 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1k6y h ALA 80 CO -0.78 0.41 -1.38 -1.13 0.00 0.00 0.00 179.25 176.37 1k6y n SER 81 N -3.82 3.35 0.00 0.00 3.41 -0.46 -5.00 113.62 111.10 1k6y n SER 81 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1k6y n SER 81 Cb 0.41 1.05 0.00 0.00 -0.26 0.00 0.00 64.21 65.41 1k6y n SER 81 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1k6y n GLY 82 N 2.30 0.78 3.75 5.00 0.00 0.10 -4.68 105.19 112.44 1k6y n GLY 82 Ca -0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.59 1k6y n GLY 82 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1k6y s TYR 83 N -3.00 2.28 0.10 1.61 6.14 -1.24 -4.78 117.35 118.48 1k6y s TYR 83 Ca 0.00 1.41 0.07 0.00 0.64 0.00 0.00 57.07 59.19 1k6y s TYR 83 Cb 0.00 -3.74 -0.03 0.00 0.42 0.00 0.00 41.96 38.61 1k6y s TYR 83 CO 0.00 -2.78 -0.17 0.42 0.64 0.00 0.00 175.55 173.66 1k6y s ILE 84 N -1.35 1.44 -0.04 3.14 -1.09 -1.26 -1.46 121.20 120.59 1k6y s ILE 84 Ca 0.74 -1.54 -0.01 0.00 -2.23 0.00 0.00 60.65 57.60 1k6y s ILE 84 Cb -0.39 -1.42 0.03 0.00 -1.58 0.00 0.00 42.46 39.11 1k6y s ILE 84 CO 0.44 -0.22 0.07 -1.61 -1.23 0.00 0.00 174.94 172.39 1k6y s GLU 85 N -2.11 -0.00 0.03 2.79 2.02 -0.80 -4.96 118.70 115.67 1k6y s GLU 85 Ca 0.05 0.26 -0.06 0.00 0.02 0.00 0.00 54.97 55.24 1k6y s GLU 85 Cb -0.08 -0.24 -0.01 0.00 0.10 0.00 0.00 34.13 33.90 1k6y s GLU 85 CO 0.04 -0.18 0.11 0.00 0.02 0.00 0.00 175.26 175.24 1k6y s ALA 86 N 1.18 -0.14 -0.07 5.21 0.00 -1.26 -0.14 121.76 126.54 1k6y s ALA 86 Ca -0.08 -0.43 -0.22 0.00 0.00 0.00 0.00 51.96 51.22 1k6y s ALA 86 Cb -0.13 0.21 0.05 0.00 0.00 0.00 0.00 23.12 23.26 1k6y s ALA 86 CO -0.04 -0.29 0.51 -1.21 0.00 0.00 0.00 175.76 174.74 1k6y s GLU 87 N -2.25 0.82 -0.23 0.00 2.02 -0.25 -4.89 118.70 113.92 1k6y s GLU 87 Ca -0.08 0.20 -0.25 0.00 0.02 0.00 0.00 54.97 54.86 1k6y s GLU 87 Cb -0.03 0.38 -0.00 0.00 0.10 0.00 0.00 34.13 34.58 1k6y s GLU 87 CO -0.03 -0.22 0.85 0.08 0.02 0.00 0.00 175.26 175.96 1k6y s VAL 88 N -0.92 4.83 0.04 2.63 1.01 -1.26 0.10 120.40 126.82 1k6y s VAL 88 Ca -0.10 1.61 0.04 0.00 0.00 0.00 0.00 61.98 63.54 1k6y s VAL 88 Cb -0.03 -4.13 -0.04 0.00 0.00 0.00 0.00 36.38 32.18 1k6y s VAL 88 CO 0.06 -0.07 -0.06 0.27 0.00 0.00 0.00 175.10 175.30 1k6y s ILE 89 N 2.81 3.68 0.51 2.22 -4.36 -0.27 -4.96 121.20 120.83 1k6y s ILE 89 Ca 0.36 -0.93 0.17 0.00 -0.26 0.00 0.00 60.65 59.99 1k6y s ILE 89 Cb -0.15 -2.66 0.29 0.00 1.25 0.00 0.00 42.46 41.19 1k6y s ILE 89 CO 0.08 0.27 2.12 1.55 0.24 0.00 0.00 174.94 179.19 1k6y h PRO 90 N 4.08 0.04 -2.31 0.37 0.13 -1.96 -3.35 132.00 129.01 1k6y h PRO 90 Ca -0.48 -0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.60 1k6y h PRO 90 Cb 1.17 -0.01 -0.17 0.00 0.13 0.00 0.00 31.00 32.12 1k6y h PRO 90 CO 0.55 0.03 0.20 0.00 -0.23 0.00 0.00 178.00 178.55 1k6y s ALA 91 N -5.10 -1.72 -1.36 -0.56 0.00 -1.26 -4.88 121.76 106.88 1k6y s ALA 91 Ca -0.05 1.06 -0.15 0.00 0.00 0.00 0.00 51.96 52.82 1k6y s ALA 91 Cb 0.17 0.27 0.07 0.00 0.00 0.00 0.00 23.12 23.64 1k6y s ALA 91 CO 0.68 -0.50 1.93 0.39 0.00 0.00 0.00 175.76 178.27 1k6y n GLU 92 N 0.50 3.10 -4.36 0.00 1.02 -1.26 -4.71 120.64 114.93 1k6y n GLU 92 Ca -0.18 -3.07 -0.18 0.00 -0.02 0.00 0.00 57.16 53.71 1k6y n GLU 92 Cb 0.60 -3.34 -0.10 0.00 -0.02 0.00 0.00 31.44 28.58 1k6y n GLU 92 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 1k6y s THR 93 N 3.32 1.38 0.21 2.62 -4.23 -1.26 -4.76 115.64 112.91 1k6y s THR 93 Ca 0.49 -2.10 -0.10 0.00 -1.18 0.00 0.00 61.69 58.81 1k6y s THR 93 Cb 0.08 -2.28 0.16 0.00 1.34 0.00 0.00 72.50 71.81 1k6y s THR 93 CO -0.00 -0.41 1.88 1.23 -0.54 0.00 0.00 174.62 176.78 1k6y h GLY 94 N 2.45 1.09 -0.06 3.99 0.00 -1.83 -2.02 103.07 106.69 1k6y h GLY 94 Ca -0.39 -0.41 0.19 0.00 0.00 0.00 0.00 47.33 46.72 1k6y h GLY 94 CO 0.65 0.40 0.38 1.46 0.00 0.00 0.00 176.54 179.43 1k6y h GLN 95 N 1.05 0.44 0.02 4.80 1.08 -1.94 0.35 115.11 120.91 1k6y h GLN 95 Ca 0.28 -0.03 -0.26 0.00 -1.45 0.00 0.00 58.65 57.20 1k6y h GLN 95 Cb -0.11 -0.10 0.02 0.00 -0.05 0.00 0.00 27.48 27.24 1k6y h GLN 95 CO -0.06 0.29 -1.03 0.93 -0.95 0.00 0.00 178.83 178.01 1k6y h GLU 96 N 0.45 0.66 -0.52 1.46 4.39 -1.73 -3.01 114.58 116.28 1k6y h GLU 96 Ca 0.51 -0.74 -0.02 0.00 0.34 0.00 0.00 59.36 59.46 1k6y h GLU 96 Cb 0.90 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1k6y h GLU 96 CO -0.48 1.32 0.25 1.15 -1.16 0.00 0.00 179.01 180.09 1k6y h THR 97 N 0.31 1.19 -0.71 1.13 2.02 -0.59 -2.11 112.91 114.15 1k6y h THR 97 Ca -0.14 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.49 1k6y h THR 97 Cb 1.70 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 68.67 1k6y h THR 97 CO 0.20 0.22 0.40 0.00 0.37 0.00 0.00 175.52 176.71 1k6y h ALA 98 N 1.09 0.91 -0.56 6.16 0.00 -0.43 -0.61 119.26 125.83 1k6y h ALA 98 Ca 0.18 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.92 1k6y h ALA 98 Cb 0.11 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1k6y h ALA 98 CO -0.02 0.41 0.08 -0.92 0.00 0.00 0.00 179.25 178.80 1k6y h TYR 99 N 0.97 0.99 -0.08 0.00 3.20 -1.38 -2.15 116.97 118.53 1k6y h TYR 99 Ca 0.25 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.98 1k6y h TYR 99 Cb 0.02 -0.27 -0.00 0.00 1.54 0.00 0.00 36.73 38.01 1k6y h TYR 99 CO -0.01 0.88 0.05 0.35 -1.64 0.00 0.00 178.16 177.80 1k6y h PHE 100 N 0.82 0.11 -0.59 -3.82 3.57 -1.02 -2.31 116.94 113.69 1k6y h PHE 100 Ca 0.17 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.67 1k6y h PHE 100 Cb 0.43 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.10 1k6y h PHE 100 CO 0.03 0.07 0.39 -0.07 -2.23 0.00 0.00 178.31 176.50 1k6y h LEU 101 N 0.11 0.68 -0.03 0.59 3.38 -1.01 -1.01 115.31 118.02 1k6y h LEU 101 Ca 0.03 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1k6y h LEU 101 Cb -0.01 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 1k6y h LEU 101 CO -0.01 0.49 0.01 0.25 0.09 0.00 0.00 178.44 179.28 1k6y h LEU 102 N 0.80 0.04 -0.22 1.67 5.85 -1.10 0.36 115.31 122.72 1k6y h LEU 102 Ca 0.22 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.80 1k6y h LEU 102 Cb -0.09 -0.01 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1k6y h LEU 102 CO -0.05 0.18 0.09 0.11 -0.34 0.00 0.00 178.44 178.44 1k6y h LYS 103 N -0.10 0.20 0.56 1.25 1.57 -1.01 -2.03 116.57 117.01 1k6y h LYS 103 Ca 0.01 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 1k6y h LYS 103 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 1k6y h LYS 103 CO -0.00 0.13 -0.41 1.25 -0.57 0.00 0.00 179.45 179.86 1k6y h LEU 104 N 0.21 -1.06 -1.86 2.94 5.85 -1.06 -2.45 115.31 117.88 1k6y h LEU 104 Ca 0.09 0.07 0.10 0.00 0.84 0.00 0.00 57.88 58.98 1k6y h LEU 104 Cb 0.04 0.33 -0.01 0.00 0.37 0.00 0.00 40.66 41.38 1k6y h LEU 104 CO -0.08 -0.59 0.49 0.00 -0.34 0.00 0.00 178.44 177.92 1k6y h ALA 105 N -1.22 1.98 0.00 1.25 0.00 -0.89 0.14 119.26 120.52 1k6y h ALA 105 Ca -0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1k6y h ALA 105 Cb 0.76 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1k6y h ALA 105 CO 0.03 -0.66 0.00 0.78 0.00 0.00 0.00 179.25 179.40 1k6y h GLY 106 N 0.00 0.00 0.00 0.00 0.00 -0.86 -3.35 103.07 98.86 1k6y h GLY 106 Ca 0.16 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.40 1k6y h GLY 106 CO -0.00 0.00 -1.42 -0.96 0.00 0.00 0.00 176.54 174.16 1k6y n ARG 107 N -2.58 2.29 -4.37 4.80 1.85 0.41 -5.03 116.66 114.02 1k6y n ARG 107 Ca 0.04 -0.02 -0.28 0.00 -1.00 0.00 0.00 57.85 56.59 1k6y n ARG 107 Cb 0.41 -1.17 -0.13 0.00 -1.05 0.00 0.00 32.46 30.52 1k6y n ARG 107 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1k6y s TRP 108 N -2.24 2.21 -1.24 2.89 0.52 -0.77 -5.05 118.94 115.26 1k6y s TRP 108 Ca -0.03 -0.39 -0.19 0.00 0.02 0.00 0.00 56.10 55.51 1k6y s TRP 108 Cb 0.03 -1.19 -0.00 0.00 -1.15 0.00 0.00 33.47 31.15 1k6y s TRP 108 CO 0.28 0.33 1.86 -0.35 0.02 0.00 0.00 176.95 179.08 1k6y n PRO 109 N 0.90 2.52 -2.49 4.98 -0.04 -1.26 -4.42 135.00 135.19 1k6y n PRO 109 Ca -0.18 -2.86 -0.43 0.00 -0.04 0.00 0.00 63.50 60.00 1k6y n PRO 109 Cb 0.53 -3.52 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 1k6y n PRO 109 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1k6y s VAL 110 N 6.49 4.25 -0.25 0.52 1.01 -1.26 -4.58 120.40 126.58 1k6y s VAL 110 Ca 0.58 1.42 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 1k6y s VAL 110 Cb 0.04 -4.24 -0.15 0.00 0.00 0.00 0.00 36.38 32.03 1k6y s VAL 110 CO 0.09 -0.49 -0.24 0.29 0.00 0.00 0.00 175.10 174.75 1k6y n LYS 111 N 7.18 0.61 -3.75 2.72 4.76 -0.25 -4.62 118.16 124.82 1k6y n LYS 111 Ca 0.14 0.16 -0.12 0.00 -2.87 0.00 0.00 58.31 55.62 1k6y n LYS 111 Cb 0.47 -1.48 -0.12 0.00 -1.84 0.00 0.00 35.03 32.05 1k6y n LYS 111 CO 0.00 0.00 0.00 -0.08 -1.37 0.00 0.00 177.40 175.95 1k6y s THR 112 N -2.49 -0.02 -0.11 -0.18 -1.32 -0.93 -1.47 115.64 109.11 1k6y s THR 112 Ca -0.34 0.08 -0.01 0.00 -1.21 0.00 0.00 61.69 60.21 1k6y s THR 112 Cb 0.10 -0.41 -0.03 0.00 -1.51 0.00 0.00 72.50 70.65 1k6y s THR 112 CO 0.55 0.03 -0.07 -0.69 -2.21 0.00 0.00 174.62 172.23 1k6y s VAL 113 N 0.79 3.63 -0.17 5.08 1.01 0.00 -1.30 120.40 129.45 1k6y s VAL 113 Ca -0.05 -0.48 -0.04 0.00 0.00 0.00 0.00 61.98 61.41 1k6y s VAL 113 Cb -0.06 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.76 1k6y s VAL 113 CO -0.05 0.55 -0.02 -1.00 0.00 0.00 0.00 175.10 174.58 1k6y s HIS 114 N -0.19 3.04 0.29 5.22 3.76 0.61 -2.00 115.29 126.02 1k6y s HIS 114 Ca 0.02 -0.35 0.05 0.00 -0.15 0.00 0.00 55.06 54.63 1k6y s HIS 114 Cb -0.13 -2.01 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 1k6y s HIS 114 CO 0.03 -0.11 0.23 -0.08 -0.85 0.00 0.00 174.74 173.96 1k6y s THR 115 N 0.62 0.01 0.00 1.30 -1.32 -1.03 -1.08 115.64 114.14 1k6y s THR 115 Ca -0.01 -2.00 0.00 0.00 -1.21 0.00 0.00 61.69 58.47 1k6y s THR 115 Cb -0.14 -2.50 0.00 0.00 -1.51 0.00 0.00 72.50 68.35 1k6y s THR 115 CO 0.02 0.00 0.00 -0.90 -2.21 0.00 0.00 174.62 171.53 1k6y n ASP 116 N -1.15 0.00 -0.56 8.08 5.68 -1.26 -4.10 116.55 123.24 1k6y n ASP 116 Ca 0.06 0.00 0.06 0.00 -0.50 0.00 0.00 54.79 54.41 1k6y n ASP 116 Cb 0.63 0.00 0.09 0.00 -1.14 0.00 0.00 41.12 40.71 1k6y n ASP 116 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1k6y n ASN 117 N 0.00 2.37 -4.61 -1.12 4.05 -1.26 -4.55 115.26 110.14 1k6y n ASN 117 Ca 0.00 -1.68 -0.43 0.00 0.45 0.00 0.00 54.58 52.91 1k6y n ASN 117 Cb 0.00 -0.09 -0.01 0.00 1.23 0.00 0.00 39.78 40.91 1k6y n ASN 117 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1k6y n GLY 118 N 0.64 -0.11 0.08 8.20 0.00 -1.26 -4.74 105.19 108.00 1k6y n GLY 118 Ca 0.09 0.27 0.05 0.00 0.00 0.00 0.00 46.02 46.43 1k6y n GLY 118 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1k6y n SER 119 N 0.94 0.26 -0.15 1.61 3.41 -1.26 -0.48 113.62 117.95 1k6y n SER 119 Ca 0.09 0.60 -0.08 0.00 -0.26 0.00 0.00 58.87 59.22 1k6y n SER 119 Cb 0.35 -0.62 0.01 0.00 -0.26 0.00 0.00 64.21 63.68 1k6y n SER 119 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 175.04 173.75 1k6y h ASN 120 N 0.00 0.53 -0.01 4.04 -0.00 -1.85 -1.68 115.58 116.61 1k6y h ASN 120 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 56.30 56.26 1k6y h ASN 120 Cb 0.07 -0.13 0.00 0.00 -0.00 0.00 0.00 38.32 38.26 1k6y h ASN 120 CO 0.00 0.41 -0.29 0.49 -0.00 0.00 0.00 177.43 178.04 1k6y n PHE 121 N -4.75 0.00 0.81 0.67 3.01 0.37 -4.03 117.46 113.54 1k6y n PHE 121 Ca 0.01 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.57 1k6y n PHE 121 Cb 0.04 0.00 0.01 0.00 -0.01 0.00 0.00 39.48 39.52 1k6y n PHE 121 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1k6y n THR 122 N 0.10 0.00 -1.47 4.37 -2.24 -0.83 -4.83 114.28 109.37 1k6y n THR 122 Ca 0.08 -0.35 -0.37 0.00 -2.27 0.00 0.00 64.05 61.14 1k6y n THR 122 Cb 0.37 1.25 0.06 0.00 -2.10 0.00 0.00 70.33 69.92 1k6y n THR 122 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 1k6y n SER 123 N 0.15 -0.14 0.23 3.42 2.88 -0.63 -4.85 113.62 114.68 1k6y n SER 123 Ca 0.08 0.72 0.12 0.00 -1.33 0.00 0.00 58.87 58.47 1k6y n SER 123 Cb 0.41 -1.30 0.41 0.00 -0.75 0.00 0.00 64.21 62.97 1k6y n SER 123 CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 1k6y h THR 124 N 0.12 0.25 -0.31 2.46 1.35 -1.94 -2.41 112.91 112.42 1k6y h THR 124 Ca -0.47 -1.00 -0.04 0.00 -0.55 0.00 0.00 66.41 64.35 1k6y h THR 124 Cb 1.37 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.59 1k6y h THR 124 CO 0.47 0.11 0.02 0.74 -0.25 0.00 0.00 175.52 176.62 1k6y h THR 125 N 0.00 1.25 -0.15 6.82 2.02 -1.91 -0.77 112.91 120.17 1k6y h THR 125 Ca -0.00 -0.88 -0.08 0.00 0.77 0.00 0.00 66.41 66.22 1k6y h THR 125 Cb 0.81 1.22 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 1k6y h THR 125 CO 0.02 0.29 -0.25 0.58 0.37 0.00 0.00 175.52 176.52 1k6y h VAL 126 N 0.33 1.24 -0.20 3.16 2.07 -1.74 -1.88 116.25 119.24 1k6y h VAL 126 Ca 0.09 -1.13 -0.15 0.00 0.82 0.00 0.00 66.70 66.34 1k6y h VAL 126 Cb 0.39 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1k6y h VAL 126 CO 0.01 0.34 -0.48 0.50 0.02 0.00 0.00 177.57 177.96 1k6y h LYS 127 N 0.24 0.53 -0.38 1.57 3.64 -1.11 -0.51 116.57 120.57 1k6y h LYS 127 Ca 0.04 -0.31 -0.14 0.00 -1.27 0.00 0.00 60.65 58.98 1k6y h LYS 127 Cb 0.58 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 1k6y h LYS 127 CO 0.04 0.90 -0.29 0.00 -2.27 0.00 0.00 179.45 177.83 1k6y h ALA 128 N 1.05 0.54 -0.42 5.00 0.00 -0.83 -0.64 119.26 123.96 1k6y h ALA 128 Ca 0.02 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1k6y h ALA 128 Cb 1.00 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.65 1k6y h ALA 128 CO 0.09 0.58 0.20 0.00 0.00 0.00 0.00 179.25 180.12 1k6y h ALA 129 N 0.78 0.54 -0.23 0.00 0.00 -1.21 -1.29 119.26 117.85 1k6y h ALA 129 Ca 0.07 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1k6y h ALA 129 Cb 0.87 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1k6y h ALA 129 CO 0.08 0.10 0.11 0.00 0.00 0.00 0.00 179.25 179.54 1k6y h ASP 131 N 0.24 0.73 -0.34 0.00 3.32 -0.98 0.92 116.42 120.32 1k6y h ASP 131 Ca 0.08 -0.05 -0.07 0.00 0.02 0.00 0.00 57.03 57.00 1k6y h ASP 131 Cb 0.11 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 1k6y h ASP 131 CO -0.01 0.59 -0.08 -0.25 -1.72 0.00 0.00 179.24 177.77 1k6y h TRP 132 N 0.83 0.73 -0.00 4.55 7.01 -0.94 -3.07 115.95 125.06 1k6y h TRP 132 Ca 0.21 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 61.06 1k6y h TRP 132 Cb 0.02 -0.18 0.00 0.00 -2.10 0.00 0.00 29.16 26.90 1k6y h TRP 132 CO 0.00 0.82 -0.03 0.00 -2.79 0.00 0.00 178.44 176.44 1k6y n ALA 133 N -2.42 2.67 -3.02 2.65 0.00 -0.48 -4.93 120.51 114.97 1k6y n ALA 133 Ca -0.02 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.02 1k6y n ALA 133 Cb 0.34 -1.38 0.05 0.00 0.00 0.00 0.00 19.45 18.45 1k6y n ALA 133 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1k6y n GLY 134 N 1.14 0.10 3.53 0.00 0.00 0.11 -5.00 105.19 105.06 1k6y n GLY 134 Ca 0.19 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 1k6y n GLY 134 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1k6y s ILE 135 N -3.18 3.31 0.00 -0.61 1.01 0.01 -4.78 121.20 116.97 1k6y s ILE 135 Ca 0.24 -0.72 -0.02 0.00 0.00 0.00 0.00 60.65 60.15 1k6y s ILE 135 Cb -0.11 -2.35 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1k6y s ILE 135 CO 0.40 0.53 0.18 -0.54 0.00 0.00 0.00 174.94 175.50 1k6y s LYS 136 N -0.97 3.39 0.26 2.79 1.02 -0.54 -4.42 119.74 121.27 1k6y s LYS 136 Ca 0.13 -0.36 0.09 0.00 0.02 0.00 0.00 55.97 55.85 1k6y s LYS 136 Cb -0.11 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.10 1k6y s LYS 136 CO 0.03 0.66 0.04 -0.65 -0.92 0.00 0.00 175.35 174.50 1k6y s GLN 137 N -2.01 2.42 -0.36 1.68 -0.21 -1.26 -0.82 119.66 119.11 1k6y s GLN 137 Ca 0.28 -1.33 0.06 0.00 0.02 0.00 0.00 55.36 54.39 1k6y s GLN 137 Cb -0.13 -2.25 0.19 0.00 1.00 0.00 0.00 33.01 31.82 1k6y s GLN 137 CO 0.20 0.38 0.64 -1.21 -2.12 0.00 0.00 175.29 173.18 1k6y s GLU 138 N -3.66 0.67 -0.63 2.91 2.02 -0.85 -4.92 118.70 114.25 1k6y s GLU 138 Ca 0.31 0.08 -0.26 0.00 0.02 0.00 0.00 54.97 55.12 1k6y s GLU 138 Cb -0.07 0.16 -0.04 0.00 0.10 0.00 0.00 34.13 34.28 1k6y s GLU 138 CO 0.21 -1.07 2.00 0.16 0.02 0.00 0.00 175.26 176.58 1k6y s ASP 139 N 2.27 5.03 -0.47 -0.19 -4.77 -1.26 -2.45 116.67 114.84 1k6y s ASP 139 Ca 0.14 0.37 0.04 0.00 -3.30 0.00 0.00 52.55 49.80 1k6y s ASP 139 Cb -0.06 -2.53 0.43 0.00 -1.09 0.00 0.00 42.92 39.67 1k6y s ASP 139 CO -0.15 -2.58 1.35 0.61 0.70 0.00 0.00 175.17 175.11 1k6y n GLY 149 N 5.93 6.05 0.26 2.12 0.00 -1.26 -4.86 105.19 113.43 1k6y n GLY 149 Ca 0.27 -2.65 0.03 0.00 0.00 0.00 0.00 46.02 43.67 1k6y n GLY 149 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1k6y h VAL 150 N 2.22 1.14 -0.01 1.61 2.07 -2.02 -2.41 116.25 118.85 1k6y h VAL 150 Ca 0.39 -0.57 0.00 0.00 0.82 0.00 0.00 66.70 67.34 1k6y h VAL 150 Cb 0.98 1.02 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1k6y h VAL 150 CO 0.98 0.19 -0.17 0.00 0.02 0.00 0.00 177.57 178.59 1k6y n ILE 151 N -4.35 0.00 0.06 4.57 3.06 -1.26 -3.70 119.36 117.74 1k6y n ILE 151 Ca -0.00 -0.16 -0.17 0.00 -2.50 0.00 0.00 62.75 59.91 1k6y n ILE 151 Cb 0.20 0.39 -0.14 0.00 0.54 0.00 0.00 39.64 40.63 1k6y n ILE 151 CO 0.00 0.00 0.00 -0.33 -2.50 0.00 0.00 176.55 173.72 1k6y h GLU 152 N 1.52 0.26 -0.23 9.51 3.07 -1.86 -2.72 114.58 124.13 1k6y h GLU 152 Ca 0.00 -0.45 -0.05 0.00 -0.50 0.00 0.00 59.36 58.36 1k6y h GLU 152 Cb 0.49 0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.56 1k6y h GLU 152 CO 0.00 1.13 -0.07 0.77 -1.40 0.00 0.00 179.01 179.44 1k6y h SER 153 N 0.07 0.46 -0.19 1.42 0.02 -1.65 -1.74 113.55 111.95 1k6y h SER 153 Ca -0.25 -0.37 -0.10 0.00 -0.84 0.00 0.00 61.79 60.23 1k6y h SER 153 Cb 2.02 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 64.42 1k6y h SER 153 CO 0.16 0.73 -0.19 -0.03 -1.14 0.00 0.00 176.83 176.36 1k6y h MET 154 N 0.19 0.62 -0.93 3.45 -1.53 -1.69 -0.54 114.93 114.50 1k6y h MET 154 Ca 0.06 -0.22 -0.01 0.00 -3.44 0.00 0.00 59.70 56.08 1k6y h MET 154 Cb 0.54 -0.04 -0.04 0.00 -0.55 0.00 0.00 31.60 31.50 1k6y h MET 154 CO 0.03 0.78 0.53 -0.97 0.14 0.00 0.00 176.91 177.42 1k6y h ASN 155 N 0.56 1.14 0.12 1.39 -0.73 -1.32 0.17 115.58 116.91 1k6y h ASN 155 Ca 0.09 -0.09 -0.29 0.00 1.87 0.00 0.00 56.30 57.88 1k6y h ASN 155 Cb 0.64 -0.29 0.03 0.00 0.27 0.00 0.00 38.32 38.97 1k6y h ASN 155 CO 0.05 0.89 -1.19 0.11 -0.37 0.00 0.00 177.43 176.92 1k6y h LYS 156 N 1.29 0.63 0.00 6.67 1.79 -0.97 -3.01 116.57 122.97 1k6y h LYS 156 Ca 0.33 -0.79 -0.09 0.00 -2.18 0.00 0.00 60.65 57.92 1k6y h LYS 156 Cb -0.01 0.25 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 1k6y h LYS 156 CO -0.06 1.35 -0.42 1.49 -1.08 0.00 0.00 179.45 180.74 1k6y h GLU 157 N 0.30 0.00 -0.21 3.15 4.81 -0.87 -1.33 114.58 120.43 1k6y h GLU 157 Ca -0.17 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.01 1k6y h GLU 157 Cb 1.85 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 31.23 1k6y h GLU 157 CO 0.23 0.42 -0.08 1.25 -0.73 0.00 0.00 179.01 180.10 1k6y h LEU 158 N 0.00 0.44 -1.14 1.64 5.85 -0.71 -1.43 115.31 119.95 1k6y h LEU 158 Ca -0.00 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.31 1k6y h LEU 158 Cb 0.77 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1k6y h LEU 158 CO 0.05 0.73 0.35 0.11 -0.34 0.00 0.00 178.44 179.34 1k6y h LYS 159 N 0.14 0.95 0.14 1.25 1.57 -1.36 0.53 116.57 119.80 1k6y h LYS 159 Ca 0.05 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1k6y h LYS 159 Cb 0.55 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1k6y h LYS 159 CO 0.03 0.71 -0.07 -0.22 -0.57 0.00 0.00 179.45 179.33 1k6y h LYS 160 N 0.95 -0.19 -0.74 3.15 3.64 -1.04 0.21 116.57 122.56 1k6y h LYS 160 Ca 0.24 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.59 1k6y h LYS 160 Cb 0.06 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.89 1k6y h LYS 160 CO -0.04 -0.04 0.29 0.82 -2.27 0.00 0.00 179.45 178.21 1k6y h ILE 161 N -0.30 1.25 -0.58 2.00 2.04 -0.97 -1.59 117.51 119.37 1k6y h ILE 161 Ca -0.02 -0.81 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 1k6y h ILE 161 Cb 0.23 0.37 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1k6y h ILE 161 CO 0.03 0.33 0.35 0.40 0.00 0.00 0.00 178.15 179.26 1k6y h ILE 162 N 1.08 1.17 -0.90 -0.67 2.04 -0.72 -1.42 117.51 118.10 1k6y h ILE 162 Ca 0.25 -0.39 0.07 0.00 1.00 0.00 0.00 64.86 65.79 1k6y h ILE 162 Cb 0.22 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.62 1k6y h ILE 162 CO -0.02 0.18 0.56 1.23 0.00 0.00 0.00 178.15 180.10 1k6y h GLY 163 N 0.78 1.36 1.65 5.37 0.00 0.34 0.52 103.07 113.09 1k6y h GLY 163 Ca 0.21 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.13 1k6y h GLY 163 CO -0.04 0.27 -0.20 0.61 0.00 0.00 0.00 176.54 177.17 1k6y n GLN 164 N -4.60 0.08 0.00 4.80 10.64 -0.73 -3.72 117.38 123.86 1k6y n GLN 164 Ca 0.13 0.05 0.04 0.00 -1.83 0.00 0.00 57.00 55.39 1k6y n GLN 164 Cb 0.19 -1.58 -0.03 0.00 -0.86 0.00 0.00 30.24 27.97 1k6y n GLN 164 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.06 176.78 1k6y n VAL 165 N -1.72 0.00 -0.16 -0.39 3.14 -0.57 -4.78 118.33 113.86 1k6y n VAL 165 Ca 0.06 -0.35 -0.07 0.00 -2.96 0.00 0.00 64.34 61.01 1k6y n VAL 165 Cb 0.37 1.04 -0.02 0.00 -1.06 0.00 0.00 33.84 34.17 1k6y n VAL 165 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1k6y h ARG 166 N 0.37 -0.23 0.00 1.45 9.65 -0.07 -0.33 114.38 125.23 1k6y h ARG 166 Ca 0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1k6y h ARG 166 Cb 0.22 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 28.86 1k6y h ARG 166 CO 0.00 -0.15 0.00 -0.40 2.80 0.00 0.00 179.97 182.22 1k6y n ASP 167 N -5.42 0.00 -0.12 -3.80 5.75 -1.26 -1.07 116.55 110.62 1k6y n ASP 167 Ca 0.02 0.05 0.12 0.00 -0.01 0.00 0.00 54.79 54.97 1k6y n ASP 167 Cb 0.35 -0.11 0.18 0.00 -1.03 0.00 0.00 41.12 40.51 1k6y n ASP 167 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 1k6y n GLN 168 N -1.11 0.35 -3.87 0.11 7.27 -0.13 -4.89 117.38 115.11 1k6y n GLN 168 Ca 0.01 -0.24 -0.12 0.00 0.07 0.00 0.00 57.00 56.73 1k6y n GLN 168 Cb 0.01 -1.50 -0.13 0.00 2.41 0.00 0.00 30.24 31.03 1k6y n GLN 168 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1k6y s ALA 169 N -2.81 -0.10 0.02 1.69 0.00 -0.24 -5.05 121.76 115.26 1k6y s ALA 169 Ca 0.15 0.06 -0.24 0.00 0.00 0.00 0.00 51.96 51.93 1k6y s ALA 169 Cb 0.18 -0.05 -0.18 0.00 0.00 0.00 0.00 23.12 23.07 1k6y s ALA 169 CO 0.67 -0.04 1.41 1.49 0.00 0.00 0.00 175.76 179.29 1k6y h GLU 170 N 5.89 0.05 -6.00 0.00 4.81 -1.90 -3.45 114.58 113.97 1k6y h GLU 170 Ca -0.25 -0.02 -0.57 0.00 -0.13 0.00 0.00 59.36 58.39 1k6y h GLU 170 Cb 1.21 -0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.55 1k6y h GLU 170 CO 0.47 0.39 -0.47 -1.01 -0.73 0.00 0.00 179.01 177.66 1k6y s HIS 171 N -4.78 3.50 0.28 0.92 3.76 -1.26 -4.99 115.29 112.71 1k6y s HIS 171 Ca -0.15 0.18 -0.03 0.00 -0.15 0.00 0.00 55.06 54.91 1k6y s HIS 171 Cb 0.03 -1.71 0.39 0.00 1.11 0.00 0.00 32.58 32.40 1k6y s HIS 171 CO 0.68 0.54 1.94 1.25 -0.85 0.00 0.00 174.74 178.30 1k6y h LEU 172 N 2.49 1.03 -0.70 0.89 5.85 -1.97 -2.90 115.31 120.00 1k6y h LEU 172 Ca -0.47 -0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.33 1k6y h LEU 172 Cb 1.18 -0.24 -0.12 0.00 0.37 0.00 0.00 40.66 41.85 1k6y h LEU 172 CO 0.71 0.72 -0.46 0.11 -0.34 0.00 0.00 178.44 179.18 1k6y h LYS 173 N 1.20 -0.16 -0.16 1.25 1.57 -1.98 0.79 116.57 119.08 1k6y h LYS 173 Ca 0.36 0.01 -0.12 0.00 -1.87 0.00 0.00 60.65 59.03 1k6y h LYS 173 Cb -0.05 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1k6y h LYS 173 CO -0.10 -0.11 -0.41 1.15 -0.57 0.00 0.00 179.45 179.42 1k6y h THR 174 N -0.17 1.31 -0.72 -0.16 2.02 -1.92 -2.77 112.91 110.50 1k6y h THR 174 Ca 0.20 -1.55 -0.04 0.00 0.77 0.00 0.00 66.41 65.79 1k6y h THR 174 Cb 0.55 1.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.57 1k6y h THR 174 CO -0.77 0.47 0.27 0.00 0.37 0.00 0.00 175.52 175.87 1k6y h ALA 175 N 1.27 0.93 -0.47 6.16 0.00 -1.02 -1.25 119.26 124.88 1k6y h ALA 175 Ca 0.03 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 1k6y h ALA 175 Cb 0.85 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1k6y h ALA 175 CO 0.07 0.57 0.16 0.28 0.00 0.00 0.00 179.25 180.32 1k6y h VAL 176 N 1.03 1.22 -0.05 0.00 2.07 -0.75 -1.56 116.25 118.21 1k6y h VAL 176 Ca 0.24 -0.73 -0.10 0.00 0.82 0.00 0.00 66.70 66.93 1k6y h VAL 176 Cb 0.23 0.80 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 1k6y h VAL 176 CO -0.02 0.27 -0.42 1.56 0.02 0.00 0.00 177.57 178.98 1k6y h GLN 177 N 0.63 0.12 -0.45 1.57 1.08 -1.27 -1.07 115.11 115.72 1k6y h GLN 177 Ca 0.15 -0.06 -0.09 0.00 -1.45 0.00 0.00 58.65 57.21 1k6y h GLN 177 Cb 0.25 -0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.67 1k6y h GLN 177 CO -0.01 0.52 -0.05 0.52 -0.95 0.00 0.00 178.83 178.86 1k6y h MET 178 N 0.10 0.83 -0.67 1.46 2.86 -0.97 -1.46 114.93 117.08 1k6y h MET 178 Ca 0.01 -0.29 -0.03 0.00 -2.06 0.00 0.00 59.70 57.33 1k6y h MET 178 Cb 0.79 -0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 1k6y h MET 178 CO 0.06 0.91 0.31 0.00 1.06 0.00 0.00 176.91 179.25 1k6y h ALA 179 N 0.89 1.28 -0.17 6.32 0.00 -0.84 0.13 119.26 126.87 1k6y h ALA 179 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 1k6y h ALA 179 Cb 0.57 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 1k6y h ALA 179 CO 0.03 0.55 -0.10 0.28 0.00 0.00 0.00 179.25 180.01 1k6y h VAL 180 N 0.96 1.32 -0.06 0.00 2.07 -1.03 -0.61 116.25 118.90 1k6y h VAL 180 Ca 0.23 -1.17 0.02 0.00 0.82 0.00 0.00 66.70 66.60 1k6y h VAL 180 Cb 0.11 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1k6y h VAL 180 CO -0.03 0.35 -0.08 0.15 0.02 0.00 0.00 177.57 177.98 1k6y h PHE 181 N 0.03 -0.18 -0.46 1.57 3.04 -0.96 0.33 116.94 120.30 1k6y h PHE 181 Ca 0.04 0.01 0.02 0.00 3.98 0.00 0.00 57.97 62.02 1k6y h PHE 181 Cb 0.59 0.09 -0.03 0.00 2.56 0.00 0.00 35.95 39.16 1k6y h PHE 181 CO 0.07 -0.12 0.27 0.82 -2.02 0.00 0.00 178.31 177.33 1k6y h ILE 182 N -0.10 1.05 -0.39 1.41 2.04 -0.71 0.13 117.51 120.94 1k6y h ILE 182 Ca 0.05 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.71 1k6y h ILE 182 Cb 0.18 0.45 -0.02 0.00 -0.74 0.00 0.00 36.82 36.69 1k6y h ILE 182 CO -0.12 0.10 0.20 -0.74 0.00 0.00 0.00 178.15 177.58 1k6y h HIS 183 N 0.55 0.55 -0.02 1.37 2.76 -0.75 0.35 115.15 119.96 1k6y h HIS 183 Ca 0.19 -0.02 -0.16 0.00 -2.20 0.00 0.00 60.37 58.17 1k6y h HIS 183 Cb 0.02 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.79 1k6y h HIS 183 CO -0.07 0.45 -0.73 -0.91 -1.30 0.00 0.00 177.93 175.37 1k6y h ASN 184 N 0.49 0.14 0.00 3.26 2.35 -0.75 -3.37 115.58 117.69 1k6y h ASN 184 Ca 0.13 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1k6y h ASN 184 Cb 0.10 -0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1k6y h ASN 184 CO -0.02 0.82 0.00 0.29 -1.65 0.00 0.00 177.43 176.87 1k6y n LYS 185 N -3.73 -0.60 -0.40 0.81 5.02 0.02 -0.23 118.16 119.05 1k6y n LYS 185 Ca -0.02 -0.41 0.04 0.00 -2.02 0.00 0.00 58.31 55.90 1k6y n LYS 185 Cb 0.71 -0.87 0.06 0.00 -0.02 0.00 0.00 35.03 34.91 1k6y n LYS 185 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1k6y n LYS 186 N -0.02 0.54 -3.54 1.97 4.76 0.12 -4.91 118.16 117.09 1k6y n LYS 186 Ca 0.00 -1.74 -0.29 0.00 -2.87 0.00 0.00 58.31 53.41 1k6y n LYS 186 Cb 0.08 -0.89 -0.13 0.00 -1.84 0.00 0.00 35.03 32.25 1k6y n LYS 186 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 1k6y s ARG 187 N -1.20 0.70 0.29 1.97 1.81 -1.17 -4.91 118.95 116.44 1k6y s ARG 187 Ca 0.15 -1.42 0.02 0.00 -1.72 0.00 0.00 55.73 52.77 1k6y s ARG 187 Cb 0.14 -1.55 -0.03 0.00 -0.45 0.00 0.00 34.95 33.06 1k6y s ARG 187 CO -0.00 -1.18 0.46 0.15 -0.68 0.00 0.00 175.30 174.05 1k6y s LYS 188 N 1.00 3.47 0.00 3.54 1.02 -1.26 -4.33 119.74 123.18 1k6y s LYS 188 Ca 0.17 -0.53 0.00 0.00 0.02 0.00 0.00 55.97 55.63 1k6y s LYS 188 Cb -0.23 -2.77 0.00 0.00 -0.52 0.00 0.00 37.83 34.31 1k6y s LYS 188 CO -0.03 0.28 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 1k6y n GLY 189 N -1.58 -0.64 0.96 -3.33 0.00 -0.85 -4.95 105.19 94.80 1k6y n GLY 189 Ca -0.07 -0.49 0.13 0.00 0.00 0.00 0.00 46.02 45.59 1k6y n GLY 189 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6y n GLY 190 N 0.00 -2.09 0.25 -0.02 0.00 -1.26 -1.33 105.19 100.74 1k6y n GLY 190 Ca 0.00 -1.26 0.05 0.00 0.00 0.00 0.00 46.02 44.81 1k6y n GLY 190 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1k6y h ILE 191 N -0.91 1.10 0.00 -0.61 2.04 -2.02 -2.20 117.51 114.90 1k6y h ILE 191 Ca -0.02 -0.39 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1k6y h ILE 191 Cb 0.89 1.05 0.00 0.00 -0.74 0.00 0.00 36.82 38.02 1k6y h ILE 191 CO 0.02 0.13 -0.35 0.61 0.00 0.00 0.00 178.15 178.55 1k6y n GLY 192 N -1.22 -1.46 2.37 5.37 0.00 -1.26 -4.89 105.19 104.09 1k6y n GLY 192 Ca -0.01 -0.19 -0.15 0.00 0.00 0.00 0.00 46.02 45.67 1k6y n GLY 192 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1k6y n GLY 193 N 1.39 -0.20 3.97 -0.02 0.00 -0.44 -5.00 105.19 104.89 1k6y n GLY 193 Ca 0.05 -0.25 -0.21 0.00 0.00 0.00 0.00 46.02 45.61 1k6y n GLY 193 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1k6y s TYR 194 N -2.79 3.15 0.41 1.61 4.12 -0.89 -4.51 117.35 118.45 1k6y s TYR 194 Ca 0.06 -0.01 0.03 0.00 0.02 0.00 0.00 57.07 57.17 1k6y s TYR 194 Cb -0.03 -2.17 -0.00 0.00 -1.52 0.00 0.00 41.96 38.24 1k6y s TYR 194 CO 0.07 -0.21 0.59 -1.54 0.02 0.00 0.00 175.55 174.49 1k6y s SER 195 N -4.21 5.83 0.29 2.29 1.04 -1.26 -2.00 113.70 115.68 1k6y s SER 195 Ca 0.47 0.04 -0.03 0.00 0.48 0.00 0.00 55.95 56.91 1k6y s SER 195 Cb -0.10 -1.32 0.40 0.00 0.10 0.00 0.00 66.02 65.10 1k6y s SER 195 CO 0.34 -0.63 1.93 0.00 0.98 0.00 0.00 173.24 175.86 1k6y h ALA 196 N 0.58 1.35 -0.75 5.32 0.00 -1.72 -0.77 119.26 123.26 1k6y h ALA 196 Ca -0.45 -0.09 0.06 0.00 0.00 0.00 0.00 54.91 54.43 1k6y h ALA 196 Cb 1.26 -0.33 -0.05 0.00 0.00 0.00 0.00 17.79 18.68 1k6y h ALA 196 CO 0.54 0.57 0.49 0.78 0.00 0.00 0.00 179.25 181.63 1k6y h GLY 197 N 1.13 1.01 1.57 0.00 0.00 -0.92 -1.72 103.07 104.15 1k6y h GLY 197 Ca 0.29 -0.33 -0.26 0.00 0.00 0.00 0.00 47.33 47.03 1k6y h GLY 197 CO -0.06 0.25 -1.15 0.83 0.00 0.00 0.00 176.54 176.41 1k6y h GLU 198 N 0.82 0.34 -0.30 4.80 5.08 -1.48 -3.28 114.58 120.57 1k6y h GLU 198 Ca 0.32 -0.49 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1k6y h GLU 198 Cb 0.21 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 1k6y h GLU 198 CO -0.10 1.20 0.09 0.00 -1.00 0.00 0.00 179.01 179.20 1k6y h ARG 199 N 0.14 0.46 -0.52 2.33 3.08 -0.49 -2.04 114.38 117.34 1k6y h ARG 199 Ca -0.12 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 59.82 1k6y h ARG 199 Cb 1.84 -0.07 -0.03 0.00 0.08 0.00 0.00 29.97 31.80 1k6y h ARG 199 CO 0.19 0.51 0.31 0.97 -1.07 0.00 0.00 179.97 180.89 1k6y h ILE 200 N 0.32 1.16 -0.03 2.04 2.10 -1.46 0.21 117.51 121.85 1k6y h ILE 200 Ca 0.10 -0.37 0.01 0.00 1.08 0.00 0.00 64.86 65.68 1k6y h ILE 200 Cb 0.24 0.46 -0.02 0.00 -1.09 0.00 0.00 36.82 36.42 1k6y h ILE 200 CO -0.00 0.17 -0.05 0.58 -1.08 0.00 0.00 178.15 177.76 1k6y h VAL 201 N 0.70 0.85 -0.42 2.19 2.07 -1.60 0.54 116.25 120.59 1k6y h VAL 201 Ca 0.19 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.73 1k6y h VAL 201 Cb -0.00 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.59 1k6y h VAL 201 CO -0.03 0.00 0.24 -0.78 0.02 0.00 0.00 177.57 177.01 1k6y h ASP 202 N -0.08 0.38 -0.33 0.57 3.58 -1.04 0.45 116.42 119.95 1k6y h ASP 202 Ca 0.03 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.48 1k6y h ASP 202 Cb 0.12 -0.07 -0.02 0.00 1.72 0.00 0.00 39.33 41.09 1k6y h ASP 202 CO -0.08 0.27 0.17 0.40 -2.88 0.00 0.00 179.24 177.13 1k6y h ILE 203 N 0.48 1.14 -0.32 2.25 2.04 -0.04 -0.78 117.51 122.28 1k6y h ILE 203 Ca 0.17 -0.39 -0.07 0.00 1.00 0.00 0.00 64.86 65.57 1k6y h ILE 203 Cb 0.03 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 1k6y h ILE 203 CO -0.09 0.15 -0.09 0.40 0.00 0.00 0.00 178.15 178.52 1k6y h ILE 204 N 0.41 1.28 -0.78 -0.67 1.08 0.42 -2.29 117.51 116.96 1k6y h ILE 204 Ca 0.12 -1.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.42 1k6y h ILE 204 Cb 0.08 1.37 -0.04 0.00 -3.07 0.00 0.00 36.82 35.17 1k6y h ILE 204 CO -0.02 0.37 0.36 0.00 -0.69 0.00 0.00 178.15 178.17 1k6y h ALA 205 N 0.79 1.17 -0.43 1.87 0.00 0.03 -2.28 119.26 120.42 1k6y h ALA 205 Ca 0.08 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 1k6y h ALA 205 Cb 0.58 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1k6y h ALA 205 CO 0.03 0.62 -0.17 1.15 0.00 0.00 0.00 179.25 180.89 1k6y h THR 206 N 1.11 1.28 0.00 0.00 2.02 -1.12 -2.81 112.91 113.38 1k6y h THR 206 Ca 0.27 -1.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1k6y h THR 206 Cb 0.13 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.75 1k6y h THR 206 CO -0.03 0.44 -0.04 -0.78 0.37 0.00 0.00 175.52 175.48 1k6y h ASP 207 N 0.70 0.00 -0.06 4.18 3.58 -1.15 -2.83 116.42 120.84 1k6y h ASP 207 Ca 0.10 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 1k6y h ASP 207 Cb 0.72 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 41.77 1k6y h ASP 207 CO 0.06 0.04 -0.02 0.40 -2.88 0.00 0.00 179.24 176.83 1k6y h ILE 208 N 0.00 1.31 0.00 2.25 2.04 -1.15 -3.51 117.51 118.46 1k6y h ILE 208 Ca -0.00 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 64.87 1k6y h ILE 208 Cb 0.40 1.86 0.00 0.00 -0.74 0.00 0.00 36.82 38.34 1k6y h ILE 208 CO 0.01 0.27 0.00 1.67 0.00 0.00 0.00 178.15 180.10