#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 6.67 0.00 4.37 4.77 -1.26 -4.50 117.00 127.05 1k6y n LEU 2 Ca 0.00 -5.40 0.00 0.00 -0.03 0.00 0.00 56.01 50.58 1k6y n LEU 2 Cb 0.00 -1.00 0.00 0.00 -2.33 0.00 0.00 43.42 40.09 1k6y n LEU 2 CO 0.00 2.10 0.00 0.47 -1.33 0.00 0.00 177.39 178.63 1k6y n ASP 3 N -0.16 -0.27 -0.43 -1.43 8.00 -1.26 -4.89 116.55 116.11 1k6y n ASP 3 Ca 0.44 0.00 0.37 0.00 0.71 0.00 0.00 54.79 56.31 1k6y n ASP 3 Cb 0.30 -0.05 0.70 0.00 -0.02 0.00 0.00 41.12 42.05 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 0.52 0.96 0.44 0.00 -1.83 0.10 103.07 103.27 1k6y h GLY 4 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.17 1k6y h GLY 4 CO 0.00 -0.12 -0.18 -2.22 0.00 0.00 0.00 176.54 174.03 1k6y h ILE 5 N 0.09 1.29 -0.16 2.60 2.04 -1.90 -1.14 117.51 120.32 1k6y h ILE 5 Ca 0.70 -1.30 -0.19 0.00 1.00 0.00 0.00 64.86 65.08 1k6y h ILE 5 Cb 2.50 1.40 0.01 0.00 -0.74 0.00 0.00 36.82 39.99 1k6y h ILE 5 CO -0.15 0.42 -0.64 0.44 0.00 0.00 0.00 178.15 178.21 1k6y h ASP 6 N 0.49 0.85 -0.62 1.72 3.32 -1.24 -1.63 116.42 119.30 1k6y h ASP 6 Ca 0.07 -0.61 0.02 0.00 0.02 0.00 0.00 57.03 56.53 1k6y h ASP 6 Cb 0.72 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.98 1k6y h ASP 6 CO 0.05 1.32 0.39 0.11 -1.72 0.00 0.00 179.24 179.39 1k6y h LYS 7 N 0.43 0.76 -0.64 3.56 1.57 -1.34 -2.15 116.57 118.76 1k6y h LYS 7 Ca -0.03 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1k6y h LYS 7 Cb 1.27 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 33.39 1k6y h LYS 7 CO 0.14 0.50 0.09 0.00 -0.57 0.00 0.00 179.45 179.61 1k6y h ALA 8 N 1.26 0.85 -0.66 3.86 0.00 -1.17 -2.27 119.26 121.12 1k6y h ALA 8 Ca 0.24 -0.27 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 1k6y h ALA 8 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 1k6y h ALA 8 CO -0.09 0.63 0.31 1.96 0.00 0.00 0.00 179.25 182.05 1k6y h GLN 9 N 0.98 0.96 -0.42 0.00 4.20 -0.93 0.01 115.11 119.92 1k6y h GLN 9 Ca 0.19 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.71 1k6y h GLN 9 Cb 0.45 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.05 1k6y h GLN 9 CO 0.02 0.78 0.09 1.49 -0.67 0.00 0.00 178.83 180.53 1k6y h GLU 10 N 0.92 0.68 -0.39 1.46 4.57 -1.30 0.31 114.58 120.84 1k6y h GLU 10 Ca 0.23 -0.17 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 1k6y h GLU 10 Cb 0.14 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.61 1k6y h GLU 10 CO -0.03 0.70 0.18 1.49 -1.18 0.00 0.00 179.01 180.18 1k6y h GLU 11 N 0.54 0.36 -0.24 1.92 4.57 -1.18 -2.17 114.58 118.39 1k6y h GLU 11 Ca 0.13 -0.02 -0.13 0.00 -1.18 0.00 0.00 59.36 58.16 1k6y h GLU 11 Cb 0.34 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.84 1k6y h GLU 11 CO 0.00 0.24 -0.39 1.25 -1.18 0.00 0.00 179.01 178.94 1k6y h HIS 12 N 0.37 0.64 -0.38 0.92 2.76 -0.72 -0.93 115.15 117.81 1k6y h HIS 12 Ca 0.17 -0.18 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1k6y h HIS 12 Cb 0.10 -0.14 -0.07 0.00 1.55 0.00 0.00 27.41 28.85 1k6y h HIS 12 CO -0.11 0.85 -0.03 1.49 -1.30 0.00 0.00 177.93 178.82 1k6y h GLU 13 N 0.45 0.07 0.04 5.26 4.57 0.22 0.59 114.58 125.78 1k6y h GLU 13 Ca 0.04 -0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.22 1k6y h GLU 13 Cb 0.87 -0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.45 1k6y h GLU 13 CO 0.07 0.04 -0.02 0.87 -1.18 0.00 0.00 179.01 178.80 1k6y h LYS 14 N 0.07 -0.05 0.00 1.92 1.57 -1.31 -3.40 116.57 115.37 1k6y h LYS 14 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 1k6y h LYS 14 Cb 0.27 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.59 1k6y h LYS 14 CO -0.34 0.50 -1.23 0.66 -0.57 0.00 0.00 179.45 178.48 1k6y n TYR 15 N -4.74 0.05 -3.66 -1.35 4.01 -0.36 -5.01 117.16 106.09 1k6y n TYR 15 Ca -0.07 0.02 -0.22 0.00 -0.16 0.00 0.00 57.90 57.47 1k6y n TYR 15 Cb 0.28 -0.22 0.05 0.00 -0.31 0.00 0.00 39.34 39.14 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 -1.78 -2.14 -2.13 -0.72 8.25 0.21 -4.94 115.22 111.97 1k6y n HIS 16 Ca 0.02 0.89 -0.40 0.00 -0.26 0.00 0.00 57.72 57.96 1k6y n HIS 16 Cb 0.41 -4.55 -0.02 0.00 1.12 0.00 0.00 29.99 26.95 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 -4.09 6.75 1.09 0.41 0.01 -1.26 -5.00 113.70 111.60 1k6y s SER 17 Ca 0.17 2.66 -0.12 0.00 1.31 0.00 0.00 55.95 59.96 1k6y s SER 17 Cb -0.08 -2.65 0.24 0.00 0.21 0.00 0.00 66.02 63.74 1k6y s SER 17 CO 0.79 -0.55 1.06 0.54 0.41 0.00 0.00 173.24 175.49 1k6y s ASN 18 N -0.55 1.67 0.29 2.44 4.22 -1.26 -4.77 114.94 116.97 1k6y s ASN 18 Ca 0.50 1.52 0.00 0.00 -2.14 0.00 0.00 52.86 52.74 1k6y s ASN 18 Cb -0.39 -2.24 0.43 0.00 1.28 0.00 0.00 41.25 40.33 1k6y s ASN 18 CO 0.52 -3.77 1.80 4.11 -2.04 0.00 0.00 177.10 177.71 1k6y h TRP 19 N -2.33 0.74 -0.73 1.54 5.08 -1.95 -2.62 115.95 115.68 1k6y h TRP 19 Ca -0.57 -0.09 0.02 0.00 1.08 0.00 0.00 58.89 59.33 1k6y h TRP 19 Cb 1.32 -0.21 -0.04 0.00 -3.00 0.00 0.00 29.16 27.23 1k6y h TRP 19 CO 0.31 0.69 0.47 0.00 -1.28 0.00 0.00 178.44 178.63 1k6y h ARG 20 N 0.66 0.91 -0.46 0.12 3.08 -1.94 0.39 114.38 117.14 1k6y h ARG 20 Ca 0.13 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.08 1k6y h ARG 20 Cb 0.41 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.23 1k6y h ARG 20 CO 0.02 0.60 0.11 0.00 -1.07 0.00 0.00 179.97 179.62 1k6y h ALA 21 N 1.30 0.61 -0.21 0.04 0.00 -1.88 -1.90 119.26 117.21 1k6y h ALA 21 Ca 0.29 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 54.84 1k6y h ALA 21 Cb -0.03 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1k6y h ALA 21 CO -0.09 0.30 -0.50 0.52 0.00 0.00 0.00 179.25 179.47 1k6y h MET 22 N 0.62 0.58 -0.59 0.00 2.86 -1.05 -0.38 114.93 116.97 1k6y h MET 22 Ca 0.14 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.42 1k6y h MET 22 Cb 0.33 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.00 1k6y h MET 22 CO 0.00 0.95 0.29 0.00 1.06 0.00 0.00 176.91 179.21 1k6y h ALA 23 N 0.99 0.77 -0.03 6.32 0.00 -0.11 -1.86 119.26 125.33 1k6y h ALA 23 Ca 0.02 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.74 1k6y h ALA 23 Cb 1.04 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1k6y h ALA 23 CO 0.10 0.33 -0.19 1.03 0.00 0.00 0.00 179.25 180.51 1k6y h SER 24 N 0.81 0.23 -0.49 0.00 0.87 -1.27 -2.39 113.55 111.31 1k6y h SER 24 Ca 0.20 -0.67 -0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1k6y h SER 24 Cb 0.12 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 61.98 1k6y h SER 24 CO -0.03 0.87 0.27 0.44 -0.53 0.00 0.00 176.83 177.84 1k6y h ASP 25 N -0.39 0.62 -0.53 6.23 5.19 -1.04 -3.25 116.42 123.25 1k6y h ASP 25 Ca -0.01 -0.10 0.00 0.00 -0.62 0.00 0.00 57.03 56.30 1k6y h ASP 25 Cb 0.86 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1k6y h ASP 25 CO 0.04 0.54 0.00 0.49 -3.12 0.00 0.00 179.24 177.19 1k6y n PHE 26 N -4.65 0.85 -3.58 4.55 3.01 -0.70 -4.99 117.46 111.95 1k6y n PHE 26 Ca 0.02 -0.55 -0.21 0.00 1.01 0.00 0.00 57.45 57.72 1k6y n PHE 26 Cb 0.09 -0.07 0.05 0.00 -0.01 0.00 0.00 39.48 39.53 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 0.94 -2.90 -4.58 4.37 3.02 -0.95 -3.91 115.26 111.25 1k6y n ASN 27 Ca 0.19 -0.80 -0.32 0.00 -0.03 0.00 0.00 54.58 53.62 1k6y n ASN 27 Cb 0.61 -4.32 -0.11 0.00 -0.61 0.00 0.00 39.78 35.34 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 -6.37 3.10 0.45 3.41 1.43 -0.94 -3.59 118.68 116.18 1k6y s LEU 28 Ca 0.16 -0.15 -0.24 0.00 -1.03 0.00 0.00 54.13 52.87 1k6y s LEU 28 Cb -0.04 -1.76 -0.07 0.00 0.03 0.00 0.00 46.19 44.35 1k6y s LEU 28 CO 0.79 0.29 1.22 -2.16 0.23 0.00 0.00 176.35 176.73 1k6y s PRO 29 N -1.31 3.76 0.31 1.29 0.04 -1.26 -4.62 135.00 133.21 1k6y s PRO 29 Ca 0.16 1.92 0.05 0.00 0.04 0.00 0.00 61.00 63.17 1k6y s PRO 29 Cb -0.11 -2.49 0.84 0.00 0.04 0.00 0.00 34.50 32.78 1k6y s PRO 29 CO 0.06 -0.59 1.60 -1.35 0.04 0.00 0.00 177.00 176.76 1k6y h PRO 30 N 2.18 0.07 -1.00 0.56 0.11 -1.95 0.11 132.00 132.08 1k6y h PRO 30 Ca -0.49 -0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.73 1k6y h PRO 30 Cb 1.25 -0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.26 1k6y h PRO 30 CO 0.61 0.05 0.63 0.28 -0.21 0.00 0.00 178.00 179.35 1k6y h VAL 31 N 0.07 0.91 0.18 3.15 2.07 -1.90 0.86 116.25 121.59 1k6y h VAL 31 Ca 0.63 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.80 1k6y h VAL 31 Cb 1.37 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1k6y h VAL 31 CO -0.81 0.18 -0.09 0.58 0.02 0.00 0.00 177.57 177.45 1k6y h VAL 32 N 0.98 0.92 -0.84 2.57 2.07 -1.14 -2.79 116.25 118.00 1k6y h VAL 32 Ca 0.49 -0.88 0.12 0.00 0.82 0.00 0.00 66.70 67.25 1k6y h VAL 32 Cb 0.51 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.61 1k6y h VAL 32 CO -0.26 0.19 0.46 0.00 0.02 0.00 0.00 177.57 177.98 1k6y h ALA 33 N -0.04 1.24 -0.26 1.67 0.00 -1.08 -1.55 119.26 119.24 1k6y h ALA 33 Ca -0.02 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 1k6y h ALA 33 Cb 0.50 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1k6y h ALA 33 CO 0.04 0.02 -0.18 0.87 0.00 0.00 0.00 179.25 180.01 1k6y h LYS 34 N 0.73 0.46 -0.23 0.00 1.57 -0.88 -2.46 116.57 115.76 1k6y h LYS 34 Ca 0.43 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 59.01 1k6y h LYS 34 Cb 0.49 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 1k6y h LYS 34 CO -0.30 0.62 -0.09 0.93 -0.57 0.00 0.00 179.45 180.04 1k6y h GLU 35 N 0.42 0.36 -0.37 3.15 4.39 -1.00 0.11 114.58 121.63 1k6y h GLU 35 Ca 0.07 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 1k6y h GLU 35 Cb 0.55 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.14 1k6y h GLU 35 CO 0.04 0.46 0.01 0.82 -1.16 0.00 0.00 179.01 179.18 1k6y h ILE 36 N 0.34 1.26 -0.45 3.13 2.04 -1.16 0.16 117.51 122.84 1k6y h ILE 36 Ca 0.07 -0.97 -0.05 0.00 1.00 0.00 0.00 64.86 64.91 1k6y h ILE 36 Cb 0.38 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1k6y h ILE 36 CO 0.02 0.32 0.05 0.58 0.00 0.00 0.00 178.15 179.13 1k6y h VAL 37 N 0.48 1.22 -0.06 1.67 2.07 -1.23 -2.65 116.25 117.74 1k6y h VAL 37 Ca 0.11 -0.84 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 1k6y h VAL 37 Cb 0.45 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1k6y h VAL 37 CO 0.02 0.30 0.03 0.00 0.02 0.00 0.00 177.57 177.94 1k6y h ALA 38 N 1.39 0.08 0.00 1.67 0.00 -0.43 -2.62 119.26 119.35 1k6y h ALA 38 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1k6y h ALA 38 Cb 0.34 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1k6y h ALA 38 CO 0.01 -0.36 0.00 0.43 0.00 0.00 0.00 179.25 179.33 1k6y n SER 39 N -4.98 0.00 -4.77 0.00 7.64 0.52 -4.66 113.62 107.37 1k6y n SER 39 Ca -0.06 0.48 -0.38 0.00 1.01 0.00 0.00 58.87 59.91 1k6y n SER 39 Cb 0.09 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 62.75 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 5.67 0.83 -0.01 0.00 1.82 -1.86 -3.25 116.42 119.63 1k6y h ASP 41 Ca -0.46 -0.60 0.00 0.00 -0.39 0.00 0.00 57.03 55.58 1k6y h ASP 41 Cb 1.20 -0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.97 1k6y h ASP 41 CO 0.69 1.30 0.00 0.29 -1.61 0.00 0.00 179.24 179.91 1k6y n LYS 42 N -4.07 1.01 -2.75 0.28 5.02 -1.26 -4.90 118.16 111.49 1k6y n LYS 42 Ca -0.07 -0.02 -0.08 0.00 -2.02 0.00 0.00 58.31 56.12 1k6y n LYS 42 Cb 0.66 -1.07 -0.02 0.00 -0.02 0.00 0.00 35.03 34.57 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 -2.48 1.12 0.50 0.00 -0.21 -1.26 -4.98 119.66 112.35 1k6y s GLN 44 Ca 0.07 -0.18 -0.03 0.00 0.02 0.00 0.00 55.36 55.23 1k6y s GLN 44 Cb 0.00 0.52 -0.01 0.00 1.00 0.00 0.00 33.01 34.52 1k6y s GLN 44 CO 0.05 -0.44 0.77 -0.51 -2.12 0.00 0.00 175.29 173.04 1k6y s LEU 45 N -2.13 3.53 -0.02 2.90 1.43 -1.26 -4.99 118.68 118.14 1k6y s LEU 45 Ca -0.03 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 53.70 1k6y s LEU 45 Cb -0.01 -3.50 0.03 0.00 0.03 0.00 0.00 46.19 42.74 1k6y s LEU 45 CO -0.04 -0.76 0.02 -0.54 0.23 0.00 0.00 176.35 175.26 1k6y s LYS 46 N -4.74 0.02 0.00 1.70 1.02 -1.26 -5.20 119.74 111.29 1k6y s LYS 46 Ca 0.49 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.65 1k6y s LYS 46 Cb -0.10 -0.29 0.00 0.00 -0.52 0.00 0.00 37.83 36.92 1k6y s LYS 46 CO 0.42 -0.16 0.00 0.00 -0.92 0.00 0.00 175.35 174.69 1k6y n SER 57 N 0.00 3.33 0.00 0.00 7.64 -1.26 -4.72 113.62 118.61 1k6y n SER 57 Ca 0.00 1.21 0.04 0.00 1.01 0.00 0.00 58.87 61.14 1k6y n SER 57 Cb 0.00 -1.56 0.27 0.00 -1.01 0.00 0.00 64.21 61.91 1k6y n SER 57 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 1k6y n PRO 58 N 0.62 0.57 -0.08 1.43 -0.04 -1.26 -2.27 135.00 133.96 1k6y n PRO 58 Ca 0.03 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.54 1k6y n PRO 58 Cb 0.37 -1.25 0.09 0.00 -0.04 0.00 0.00 33.50 32.67 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 0.10 1.43 3.70 0.55 0.00 -1.26 -4.91 105.19 104.80 1k6y n GLY 59 Ca 0.07 -0.29 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.90 5.18 0.10 -0.61 1.01 -0.96 -1.13 121.20 123.89 1k6y s ILE 60 Ca 0.15 0.89 0.06 0.00 0.00 0.00 0.00 60.65 61.76 1k6y s ILE 60 Cb 0.09 -3.80 -0.03 0.00 0.01 0.00 0.00 42.46 38.73 1k6y s ILE 60 CO 0.12 0.29 -0.15 0.26 0.00 0.00 0.00 174.94 175.46 1k6y s TRP 61 N 0.91 1.37 -0.09 3.97 0.52 -0.43 -3.17 118.94 122.02 1k6y s TRP 61 Ca 0.24 -0.51 0.04 0.00 0.02 0.00 0.00 56.10 55.89 1k6y s TRP 61 Cb -0.15 -0.74 -0.00 0.00 -1.15 0.00 0.00 33.47 31.43 1k6y s TRP 61 CO 0.09 0.12 -0.23 -0.65 0.02 0.00 0.00 176.95 176.30 1k6y s GLN 62 N -2.30 2.94 0.04 4.98 -0.21 -0.62 0.44 119.66 124.94 1k6y s GLN 62 Ca 0.05 -0.86 0.08 0.00 0.02 0.00 0.00 55.36 54.65 1k6y s GLN 62 Cb -0.07 -2.30 -0.03 0.00 1.00 0.00 0.00 33.01 31.61 1k6y s GLN 62 CO 0.03 0.25 -0.22 -0.51 -2.12 0.00 0.00 175.29 172.71 1k6y s LEU 63 N 0.19 2.17 -0.07 2.90 1.43 -0.81 -0.27 118.68 124.21 1k6y s LEU 63 Ca -0.13 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.12 1k6y s LEU 63 Cb -0.16 -1.07 0.11 0.00 0.03 0.00 0.00 46.19 45.10 1k6y s LEU 63 CO 0.07 0.19 0.98 -0.62 0.23 0.00 0.00 176.35 177.20 1k6y s ASP 64 N -1.19 -0.30 0.02 2.29 -1.08 -0.51 -4.55 116.67 111.36 1k6y s ASP 64 Ca 0.09 0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.15 1k6y s ASP 64 Cb -0.09 0.31 -0.04 0.00 -1.46 0.00 0.00 42.92 41.64 1k6y s ASP 64 CO 0.02 -0.50 0.12 0.00 0.52 0.00 0.00 175.17 175.33 1k6y s THR 66 N -1.31 0.95 0.02 0.00 -1.32 0.44 -4.97 115.64 109.45 1k6y s THR 66 Ca 0.27 -2.01 0.06 0.00 -1.21 0.00 0.00 61.69 58.79 1k6y s THR 66 Cb -0.12 -1.91 -0.02 0.00 -1.51 0.00 0.00 72.50 68.94 1k6y s THR 66 CO 0.19 -0.68 -0.17 -1.00 -2.21 0.00 0.00 174.62 170.74 1k6y s HIS 67 N -3.47 1.54 -0.23 9.09 3.76 -1.26 -0.75 115.29 123.97 1k6y s HIS 67 Ca 0.18 -0.33 -0.18 0.00 -0.15 0.00 0.00 55.06 54.58 1k6y s HIS 67 Cb 0.04 -0.95 0.06 0.00 1.11 0.00 0.00 32.58 32.84 1k6y s HIS 67 CO 0.01 0.02 0.59 -1.17 -0.85 0.00 0.00 174.74 173.34 1k6y s LEU 68 N -0.79 -0.40 -1.28 0.89 2.96 -0.90 -4.91 118.68 114.25 1k6y s LEU 68 Ca 0.06 1.23 -0.05 0.00 -0.22 0.00 0.00 54.13 55.15 1k6y s LEU 68 Cb -0.07 2.03 0.03 0.00 0.50 0.00 0.00 46.19 48.67 1k6y s LEU 68 CO 0.00 -0.21 0.31 -0.62 -1.32 0.00 0.00 176.35 174.51 1k6y n GLU 69 N 3.30 -3.19 -1.13 1.98 1.02 -1.26 -0.05 120.64 121.31 1k6y n GLU 69 Ca -0.16 0.64 -0.04 0.00 -0.02 0.00 0.00 57.16 57.57 1k6y n GLU 69 Cb 0.56 -5.33 -0.02 0.00 -0.02 0.00 0.00 31.44 26.63 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 -1.10 0.65 3.67 0.62 0.00 -1.26 -5.00 105.19 102.76 1k6y n GLY 70 Ca -0.09 -0.25 -0.23 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.79 2.36 -0.16 1.61 1.02 0.93 -5.12 119.74 118.58 1k6y s LYS 71 Ca 0.00 -1.39 -0.06 0.00 0.02 0.00 0.00 55.97 54.54 1k6y s LYS 71 Cb 0.00 -2.20 -0.04 0.00 -0.52 0.00 0.00 37.83 35.07 1k6y s LYS 71 CO 0.00 0.36 0.04 0.08 -0.92 0.00 0.00 175.35 174.90 1k6y s VAL 72 N -2.31 4.60 -0.13 3.17 1.01 -1.26 -2.12 120.40 123.36 1k6y s VAL 72 Ca 0.32 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1k6y s VAL 72 Cb -0.06 -3.04 0.01 0.00 0.00 0.00 0.00 36.38 33.28 1k6y s VAL 72 CO 0.21 0.49 -0.21 -0.63 0.00 0.00 0.00 175.10 174.96 1k6y s ILE 73 N 0.13 1.93 -0.14 2.22 1.01 0.07 -1.37 121.20 125.06 1k6y s ILE 73 Ca 0.03 -0.91 -0.14 0.00 0.00 0.00 0.00 60.65 59.63 1k6y s ILE 73 Cb -0.13 -1.71 -0.05 0.00 0.01 0.00 0.00 42.46 40.59 1k6y s ILE 73 CO 0.01 0.53 0.32 -0.22 0.00 0.00 0.00 174.94 175.58 1k6y s LEU 74 N 0.77 4.27 -0.03 2.97 2.96 0.73 -0.42 118.68 129.94 1k6y s LEU 74 Ca -0.09 0.58 0.05 0.00 -0.22 0.00 0.00 54.13 54.45 1k6y s LEU 74 Cb -0.16 -2.42 -0.01 0.00 0.50 0.00 0.00 46.19 44.10 1k6y s LEU 74 CO -0.00 0.12 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.29 1k6y s VAL 75 N 0.30 1.34 -0.06 1.68 1.01 0.39 -1.09 120.40 123.96 1k6y s VAL 75 Ca 0.18 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1k6y s VAL 75 Cb -0.13 -1.13 -0.00 0.00 0.00 0.00 0.00 36.38 35.11 1k6y s VAL 75 CO 0.05 0.38 -0.19 0.00 0.00 0.00 0.00 175.10 175.35 1k6y s ALA 76 N -0.19 1.73 -0.11 5.51 0.00 0.32 -1.42 121.76 127.60 1k6y s ALA 76 Ca 0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.22 1k6y s ALA 76 Cb -0.09 -0.60 0.02 0.00 0.00 0.00 0.00 23.12 22.45 1k6y s ALA 76 CO 0.00 0.28 -0.13 0.08 0.00 0.00 0.00 175.76 175.99 1k6y s VAL 77 N 0.15 1.38 -0.79 0.00 1.01 0.63 -1.95 120.40 120.83 1k6y s VAL 77 Ca -0.08 -0.56 -0.25 0.00 0.00 0.00 0.00 61.98 61.09 1k6y s VAL 77 Cb -0.14 -1.28 0.05 0.00 0.00 0.00 0.00 36.38 35.00 1k6y s VAL 77 CO 0.04 0.42 1.25 -2.28 0.00 0.00 0.00 175.10 174.52 1k6y s HIS 78 N 1.11 2.44 0.22 5.22 2.46 -0.03 -1.59 115.29 125.13 1k6y s HIS 78 Ca -0.05 -0.35 -0.15 0.00 0.47 0.00 0.00 55.06 54.99 1k6y s HIS 78 Cb -0.14 -4.56 0.26 0.00 -0.13 0.00 0.00 32.58 28.00 1k6y s HIS 78 CO -0.03 -1.95 1.59 0.28 -2.47 0.00 0.00 174.74 172.16 1k6y h VAL 79 N 6.15 0.18 -0.26 0.89 2.07 -1.86 0.72 116.25 124.15 1k6y h VAL 79 Ca -0.17 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.37 1k6y h VAL 79 Cb 1.05 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1k6y h VAL 79 CO 1.28 0.00 0.18 0.00 0.02 0.00 0.00 177.57 179.05 1k6y h ALA 80 N 1.52 1.91 0.00 1.67 0.00 -1.81 -3.26 119.26 119.29 1k6y h ALA 80 Ca 0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.16 1k6y h ALA 80 Cb 0.57 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1k6y h ALA 80 CO -0.79 0.06 -1.52 -1.13 0.00 0.00 0.00 179.25 175.87 1k6y n SER 81 N -4.50 2.72 0.00 0.00 3.41 -0.74 -5.00 113.62 109.51 1k6y n SER 81 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1k6y n SER 81 Cb 0.13 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 2.12 0.61 3.74 5.00 0.00 0.24 -4.76 105.19 112.15 1k6y n GLY 82 Ca -0.07 -0.12 -0.41 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.00 3.43 0.19 1.61 6.14 -1.21 -4.81 117.35 120.70 1k6y s TYR 83 Ca 0.00 1.47 0.10 0.00 0.64 0.00 0.00 57.07 59.27 1k6y s TYR 83 Cb 0.00 -3.42 -0.04 0.00 0.42 0.00 0.00 41.96 38.91 1k6y s TYR 83 CO 0.00 -1.15 -0.12 0.42 0.64 0.00 0.00 175.55 175.34 1k6y s ILE 84 N -0.32 3.01 -0.10 3.14 1.01 -1.26 -0.85 121.20 125.83 1k6y s ILE 84 Ca 0.51 -1.79 -0.04 0.00 0.00 0.00 0.00 60.65 59.33 1k6y s ILE 84 Cb -0.33 -2.50 0.05 0.00 0.01 0.00 0.00 42.46 39.69 1k6y s ILE 84 CO 0.38 -0.15 0.21 -0.70 0.00 0.00 0.00 174.94 174.69 1k6y s GLU 85 N -2.90 0.10 0.01 2.79 2.12 -0.82 -4.94 118.70 115.06 1k6y s GLU 85 Ca 0.25 0.62 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 1k6y s GLU 85 Cb -0.08 -0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.14 1k6y s GLU 85 CO 0.14 -0.28 0.06 0.00 -0.54 0.00 0.00 175.26 174.65 1k6y s ALA 86 N 2.17 -0.10 -0.04 6.30 0.00 -1.26 -0.52 121.76 128.31 1k6y s ALA 86 Ca 0.00 -0.37 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 1k6y s ALA 86 Cb -0.12 0.14 0.02 0.00 0.00 0.00 0.00 23.12 23.16 1k6y s ALA 86 CO -0.07 -0.19 0.26 -1.21 0.00 0.00 0.00 175.76 174.55 1k6y s GLU 87 N -1.49 0.51 -0.34 0.00 2.02 -0.25 -4.83 118.70 114.32 1k6y s GLU 87 Ca -0.15 -0.03 -0.24 0.00 0.02 0.00 0.00 54.97 54.57 1k6y s GLU 87 Cb -0.08 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.38 1k6y s GLU 87 CO 0.00 -0.12 0.81 0.08 0.02 0.00 0.00 175.26 176.06 1k6y s VAL 88 N -0.82 4.73 0.00 2.63 1.01 -1.26 -0.20 120.40 126.49 1k6y s VAL 88 Ca -0.09 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 62.95 1k6y s VAL 88 Cb -0.05 -4.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.09 1k6y s VAL 88 CO 0.02 -0.38 0.13 0.27 0.00 0.00 0.00 175.10 175.15 1k6y s ILE 89 N 3.11 5.06 0.51 2.22 -4.36 -0.47 -4.98 121.20 122.30 1k6y s ILE 89 Ca 0.33 -0.31 0.42 0.00 -0.26 0.00 0.00 60.65 60.82 1k6y s ILE 89 Cb -0.13 -3.35 0.43 0.00 1.25 0.00 0.00 42.46 40.66 1k6y s ILE 89 CO 0.15 0.32 2.27 1.55 0.24 0.00 0.00 174.94 179.47 1k6y h PRO 90 N 3.89 0.00 -1.79 0.37 0.13 -1.96 -3.38 132.00 129.27 1k6y h PRO 90 Ca -0.49 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.66 1k6y h PRO 90 Cb 1.18 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.07 1k6y h PRO 90 CO 0.66 0.00 0.30 0.00 -0.23 0.00 0.00 178.00 178.73 1k6y s ALA 91 N -4.01 -1.89 -1.01 -0.56 0.00 -1.26 -4.99 121.76 108.04 1k6y s ALA 91 Ca -0.03 1.97 -0.20 0.00 0.00 0.00 0.00 51.96 53.70 1k6y s ALA 91 Cb 0.12 -1.33 -0.09 0.00 0.00 0.00 0.00 23.12 21.82 1k6y s ALA 91 CO 0.44 -0.29 2.00 0.39 0.00 0.00 0.00 175.76 178.30 1k6y n GLU 92 N 2.51 1.94 -4.43 0.00 1.02 -1.26 -4.70 120.64 115.72 1k6y n GLU 92 Ca -0.13 -2.16 -0.26 0.00 -0.02 0.00 0.00 57.16 54.59 1k6y n GLU 92 Cb 0.56 -3.11 -0.11 0.00 -0.02 0.00 0.00 31.44 28.76 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 4.99 2.45 0.38 2.62 -4.23 -1.26 -4.85 115.64 115.75 1k6y s THR 93 Ca 0.55 -2.12 0.05 0.00 -1.18 0.00 0.00 61.69 59.00 1k6y s THR 93 Cb 0.13 -2.21 0.28 0.00 1.34 0.00 0.00 72.50 72.03 1k6y s THR 93 CO 0.06 -0.20 2.01 1.23 -0.54 0.00 0.00 174.62 177.18 1k6y h GLY 94 N 2.89 0.80 0.97 3.99 0.00 -1.90 -1.13 103.07 108.69 1k6y h GLY 94 Ca -0.44 -0.28 -0.01 0.00 0.00 0.00 0.00 47.33 46.60 1k6y h GLY 94 CO 0.52 0.25 -0.12 -1.61 0.00 0.00 0.00 176.54 175.58 1k6y h GLN 95 N 0.72 -0.31 -0.73 4.80 4.15 -1.93 0.49 115.11 122.29 1k6y h GLN 95 Ca 0.24 0.02 -0.00 0.00 0.77 0.00 0.00 58.65 59.68 1k6y h GLN 95 Cb 0.06 0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.79 1k6y h GLN 95 CO -0.06 -0.21 0.44 0.93 -1.93 0.00 0.00 178.83 178.00 1k6y h GLU 96 N -0.32 1.00 -0.60 1.69 4.39 -1.73 -1.02 114.58 117.99 1k6y h GLU 96 Ca -0.03 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.54 1k6y h GLU 96 Cb 0.26 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.68 1k6y h GLU 96 CO 0.04 0.71 0.21 1.15 -1.16 0.00 0.00 179.01 179.95 1k6y h THR 97 N 1.00 1.24 -0.44 1.13 2.02 -0.89 -1.81 112.91 115.16 1k6y h THR 97 Ca 0.26 -0.77 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 1k6y h THR 97 Cb -0.03 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 66.97 1k6y h THR 97 CO -0.05 0.30 0.24 0.00 0.37 0.00 0.00 175.52 176.37 1k6y h ALA 98 N 1.07 0.56 -0.35 6.16 0.00 0.39 0.01 119.26 127.10 1k6y h ALA 98 Ca 0.20 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1k6y h ALA 98 Cb 0.25 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.83 1k6y h ALA 98 CO -0.01 0.09 0.17 -0.92 0.00 0.00 0.00 179.25 178.58 1k6y h TYR 99 N 0.57 0.32 -1.00 0.00 3.20 -1.04 -1.17 116.97 117.85 1k6y h TYR 99 Ca 0.15 0.01 0.02 0.00 3.14 0.00 0.00 58.73 62.06 1k6y h TYR 99 Cb 0.06 -0.09 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1k6y h TYR 99 CO -0.02 0.17 0.66 0.35 -1.64 0.00 0.00 178.16 177.68 1k6y h PHE 100 N 0.36 1.24 -0.29 -3.82 3.57 -0.90 -2.42 116.94 114.69 1k6y h PHE 100 Ca 0.15 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.63 1k6y h PHE 100 Cb 0.06 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1k6y h PHE 100 CO -0.10 0.75 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.64 1k6y h LEU 101 N 1.31 0.51 -0.54 0.59 3.38 -0.38 -1.78 115.31 118.41 1k6y h LEU 101 Ca 0.38 -0.32 0.05 0.00 0.09 0.00 0.00 57.88 58.08 1k6y h LEU 101 Cb -0.08 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.49 1k6y h LEU 101 CO -0.10 0.71 0.27 -0.07 0.09 0.00 0.00 178.44 179.34 1k6y h LEU 102 N 0.30 0.37 -0.29 1.67 4.07 -0.97 0.35 115.31 120.81 1k6y h LEU 102 Ca 0.08 0.04 -0.01 0.00 0.08 0.00 0.00 57.88 58.06 1k6y h LEU 102 Cb 0.46 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1k6y h LEU 102 CO 0.02 0.25 0.13 0.11 -1.08 0.00 0.00 178.44 177.86 1k6y h LYS 103 N 0.51 0.43 -0.07 1.13 1.57 -1.37 -0.76 116.57 118.00 1k6y h LYS 103 Ca 0.25 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 1k6y h LYS 103 Cb 0.18 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 1k6y h LYS 103 CO -0.18 0.43 -0.04 1.25 -0.57 0.00 0.00 179.45 180.34 1k6y h LEU 104 N 0.32 -0.12 -2.43 2.94 5.85 -0.79 -1.93 115.31 119.14 1k6y h LEU 104 Ca 0.10 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.85 1k6y h LEU 104 Cb 0.15 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.25 1k6y h LEU 104 CO -0.01 -0.05 0.01 0.00 -0.34 0.00 0.00 178.44 178.05 1k6y h ALA 105 N 1.03 1.57 0.00 1.25 0.00 -0.06 -1.36 119.26 121.69 1k6y h ALA 105 Ca 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1k6y h ALA 105 Cb 0.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1k6y h ALA 105 CO -0.09 -0.02 0.00 0.78 0.00 0.00 0.00 179.25 179.92 1k6y h GLY 106 N 0.00 0.00 0.00 0.00 0.00 -0.32 -3.33 103.07 99.42 1k6y h GLY 106 Ca 0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.24 1k6y h GLY 106 CO -0.00 0.00 -1.54 -0.96 0.00 0.00 0.00 176.54 174.04 1k6y n ARG 107 N -2.42 1.66 -4.35 4.80 1.85 -0.57 -5.04 116.66 112.59 1k6y n ARG 107 Ca 0.04 -0.04 -0.22 0.00 -1.00 0.00 0.00 57.85 56.64 1k6y n ARG 107 Cb 0.40 -1.23 -0.11 0.00 -1.05 0.00 0.00 32.46 30.47 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 -2.39 1.87 -1.13 2.89 0.52 -0.82 -5.04 118.94 114.83 1k6y s TRP 108 Ca -0.04 -0.47 -0.15 0.00 0.02 0.00 0.00 56.10 55.46 1k6y s TRP 108 Cb 0.04 -0.91 -0.07 0.00 -1.15 0.00 0.00 33.47 31.38 1k6y s TRP 108 CO 0.37 0.37 2.19 -2.30 0.02 0.00 0.00 176.95 177.60 1k6y n PRO 109 N 0.12 2.32 -2.14 4.98 -0.02 -1.26 -4.55 135.00 134.45 1k6y n PRO 109 Ca -0.12 -2.08 -0.43 0.00 -2.02 0.00 0.00 63.50 58.85 1k6y n PRO 109 Cb 0.58 -2.96 -0.02 0.00 -0.02 0.00 0.00 33.50 31.08 1k6y n PRO 109 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1k6y s VAL 110 N 3.79 3.75 -0.24 -1.45 1.01 -1.26 -4.54 120.40 121.47 1k6y s VAL 110 Ca 0.53 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 1k6y s VAL 110 Cb 0.14 -3.72 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 1k6y s VAL 110 CO 0.00 -0.26 -0.29 0.29 0.00 0.00 0.00 175.10 174.84 1k6y n LYS 111 N 7.47 0.50 -3.86 2.72 4.76 -0.28 -4.64 118.16 124.83 1k6y n LYS 111 Ca 0.18 0.21 -0.12 0.00 -2.87 0.00 0.00 58.31 55.71 1k6y n LYS 111 Cb 0.45 -1.35 -0.14 0.00 -1.84 0.00 0.00 35.03 32.15 1k6y n LYS 111 CO 0.00 0.00 0.00 0.95 -1.37 0.00 0.00 177.40 176.98 1k6y s THR 112 N -2.43 -0.00 -0.13 -0.18 -4.23 -0.92 -1.22 115.64 106.53 1k6y s THR 112 Ca -0.33 0.00 0.02 0.00 -1.18 0.00 0.00 61.69 60.20 1k6y s THR 112 Cb 0.12 -0.06 -0.00 0.00 1.34 0.00 0.00 72.50 73.90 1k6y s THR 112 CO 0.42 0.00 -0.19 -0.69 -0.54 0.00 0.00 174.62 173.63 1k6y s VAL 113 N 0.03 2.44 -0.19 2.29 1.01 -0.56 -1.31 120.40 124.11 1k6y s VAL 113 Ca -0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 60.97 1k6y s VAL 113 Cb -0.00 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.34 1k6y s VAL 113 CO -0.00 0.54 0.29 -1.00 0.00 0.00 0.00 175.10 174.93 1k6y s HIS 114 N 0.56 3.41 0.29 5.22 3.76 0.17 -2.44 115.29 126.27 1k6y s HIS 114 Ca -0.11 0.53 -0.03 0.00 -0.15 0.00 0.00 55.06 55.29 1k6y s HIS 114 Cb -0.16 -2.37 -0.01 0.00 1.11 0.00 0.00 32.58 31.14 1k6y s HIS 114 CO 0.04 0.14 0.39 -0.08 -0.85 0.00 0.00 174.74 174.38 1k6y s THR 115 N 0.79 0.00 0.80 1.30 -1.32 -1.26 -1.93 115.64 114.01 1k6y s THR 115 Ca 0.15 -1.67 -0.10 0.00 -1.21 0.00 0.00 61.69 58.86 1k6y s THR 115 Cb -0.13 -2.50 0.10 0.00 -1.51 0.00 0.00 72.50 68.46 1k6y s THR 115 CO 0.05 0.00 1.13 1.51 -2.21 0.00 0.00 174.62 175.10 1k6y s ASP 116 N -3.19 4.29 -0.47 8.08 3.84 -1.26 -4.38 116.67 123.58 1k6y s ASP 116 Ca 0.31 0.44 0.01 0.00 -0.00 0.00 0.00 52.55 53.32 1k6y s ASP 116 Cb 0.01 -0.88 0.51 0.00 -1.38 0.00 0.00 42.92 41.19 1k6y s ASP 116 CO 0.17 -1.98 1.89 0.59 -0.00 0.00 0.00 175.17 175.85 1k6y n ASN 117 N -3.23 5.10 -4.01 2.11 5.03 -1.26 -4.60 115.26 114.40 1k6y n ASN 117 Ca 0.10 -3.49 -0.30 0.00 0.87 0.00 0.00 54.58 51.76 1k6y n ASN 117 Cb 0.60 -0.87 0.20 0.00 -1.02 0.00 0.00 39.78 38.69 1k6y n ASN 117 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1k6y s GLY 118 N -1.15 1.75 0.16 7.41 0.00 -1.26 -4.80 107.32 109.42 1k6y s GLY 118 Ca 0.53 -1.18 -0.17 0.00 0.00 0.00 0.00 44.72 43.90 1k6y s GLY 118 CO 0.06 -0.37 1.71 0.23 0.00 0.00 0.00 173.10 174.72 1k6y h SER 119 N -1.89 -0.12 0.69 1.64 0.87 -1.95 -1.81 113.55 110.97 1k6y h SER 119 Ca -0.44 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.16 1k6y h SER 119 Cb 1.24 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 63.34 1k6y h SER 119 CO 0.35 -0.03 -0.33 -1.13 -0.53 0.00 0.00 176.83 175.17 1k6y h ASN 120 N 0.11 -0.78 0.63 6.23 -1.24 -1.93 -2.35 115.58 116.24 1k6y h ASN 120 Ca 0.17 0.03 0.00 0.00 0.71 0.00 0.00 56.30 57.21 1k6y h ASN 120 Cb 0.23 0.20 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1k6y h ASN 120 CO -0.28 -0.41 0.00 0.49 -1.29 0.00 0.00 177.43 175.94 1k6y n PHE 121 N -5.30 0.33 0.80 0.67 3.01 -1.24 -2.13 117.46 113.60 1k6y n PHE 121 Ca -0.11 0.13 0.09 0.00 1.01 0.00 0.00 57.45 58.57 1k6y n PHE 121 Cb 0.36 -0.71 0.04 0.00 -0.01 0.00 0.00 39.48 39.17 1k6y n PHE 121 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 1k6y n THR 122 N -1.80 0.00 -0.86 4.37 5.66 -0.68 -4.79 114.28 116.17 1k6y n THR 122 Ca 0.03 -0.42 -0.32 0.00 -3.05 0.00 0.00 64.05 60.29 1k6y n THR 122 Cb 0.21 1.31 0.15 0.00 -1.55 0.00 0.00 70.33 70.45 1k6y n THR 122 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1k6y n SER 123 N 0.56 0.37 0.13 1.09 3.41 -0.89 -4.84 113.62 113.45 1k6y n SER 123 Ca 0.09 0.48 0.01 0.00 -0.26 0.00 0.00 58.87 59.19 1k6y n SER 123 Cb 0.43 -1.46 0.32 0.00 -0.26 0.00 0.00 64.21 63.24 1k6y n SER 123 CO 0.00 0.00 0.00 0.71 -0.16 0.00 0.00 175.04 175.59 1k6y h THR 124 N -1.45 1.26 -0.19 6.66 1.35 -1.89 -2.29 112.91 116.35 1k6y h THR 124 Ca -0.44 -1.23 -0.02 0.00 -0.55 0.00 0.00 66.41 64.16 1k6y h THR 124 Cb 1.28 1.56 -0.01 0.00 -1.73 0.00 0.00 68.15 69.25 1k6y h THR 124 CO 0.42 0.36 0.03 0.74 -0.25 0.00 0.00 175.52 176.83 1k6y h THR 125 N 0.13 1.22 -0.59 6.82 2.02 -1.91 0.09 112.91 120.70 1k6y h THR 125 Ca 0.02 -0.72 -0.02 0.00 0.77 0.00 0.00 66.41 66.46 1k6y h THR 125 Cb 0.64 1.33 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1k6y h THR 125 CO 0.05 0.22 0.30 0.58 0.37 0.00 0.00 175.52 177.04 1k6y h VAL 126 N 0.12 1.20 -0.89 3.16 2.07 -1.71 -1.62 116.25 118.58 1k6y h VAL 126 Ca 0.06 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1k6y h VAL 126 Cb 0.31 0.49 -0.05 0.00 -1.52 0.00 0.00 31.29 30.52 1k6y h VAL 126 CO 0.00 0.23 0.59 0.11 0.02 0.00 0.00 177.57 178.52 1k6y h LYS 127 N 0.80 1.10 -0.45 1.57 1.57 -1.17 -0.82 116.57 119.17 1k6y h LYS 127 Ca 0.20 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1k6y h LYS 127 Cb 0.09 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.14 1k6y h LYS 127 CO -0.03 0.73 0.19 0.00 -0.57 0.00 0.00 179.45 179.77 1k6y h ALA 128 N 1.47 0.58 0.44 3.86 0.00 -0.28 -0.38 119.26 124.96 1k6y h ALA 128 Ca 0.35 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1k6y h ALA 128 Cb -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1k6y h ALA 128 CO -0.10 0.17 -0.22 0.00 0.00 0.00 0.00 179.25 179.10 1k6y h ALA 129 N 1.04 -0.60 -0.50 0.00 0.00 -0.64 -0.32 119.26 118.24 1k6y h ALA 129 Ca 0.15 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 55.02 1k6y h ALA 129 Cb 0.16 0.24 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 1k6y h ALA 129 CO -0.02 -0.84 0.10 0.00 0.00 0.00 0.00 179.25 178.50 1k6y h ASP 131 N 0.24 0.09 -0.03 0.00 3.32 -0.82 0.29 116.42 119.51 1k6y h ASP 131 Ca 0.25 0.02 0.02 0.00 0.02 0.00 0.00 57.03 57.35 1k6y h ASP 131 Cb 0.33 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.87 1k6y h ASP 131 CO -0.32 0.09 -0.13 -0.25 -1.72 0.00 0.00 179.24 176.91 1k6y h TRP 132 N 0.20 -0.32 0.00 4.55 7.01 -0.12 -2.35 115.95 124.91 1k6y h TRP 132 Ca 0.11 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.12 1k6y h TRP 132 Cb 0.07 0.15 0.00 0.00 -2.10 0.00 0.00 29.16 27.28 1k6y h TRP 132 CO -0.13 -0.19 0.00 0.00 -2.79 0.00 0.00 178.44 175.33 1k6y n ALA 133 N -2.44 2.01 -2.10 2.65 0.00 0.41 -4.89 120.51 116.15 1k6y n ALA 133 Ca -0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 1k6y n ALA 133 Cb 0.18 -1.33 -0.00 0.00 0.00 0.00 0.00 19.45 18.29 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 0.54 0.13 3.65 0.00 0.00 0.72 -5.01 105.19 105.22 1k6y n GLY 134 Ca 0.07 -0.64 -0.37 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.30 5.34 -0.01 -0.61 1.01 0.45 -4.82 121.20 120.25 1k6y s ILE 135 Ca 0.00 0.17 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 1k6y s ILE 135 Cb 0.00 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.92 1k6y s ILE 135 CO 0.00 0.33 0.42 -1.59 0.00 0.00 0.00 174.94 174.10 1k6y s LYS 136 N 1.17 3.98 -0.35 2.79 -2.85 -0.36 -4.34 119.74 119.78 1k6y s LYS 136 Ca 0.07 0.42 -0.15 0.00 -1.00 0.00 0.00 55.97 55.32 1k6y s LYS 136 Cb -0.14 -3.25 -0.01 0.00 -2.06 0.00 0.00 37.83 32.37 1k6y s LYS 136 CO 0.05 0.62 0.32 -0.65 0.10 0.00 0.00 175.35 175.80 1k6y s GLN 137 N -0.86 3.45 0.00 1.78 -0.21 -1.26 -1.50 119.66 121.06 1k6y s GLN 137 Ca 0.24 -0.57 0.25 0.00 0.02 0.00 0.00 55.36 55.29 1k6y s GLN 137 Cb -0.17 -3.83 0.45 0.00 1.00 0.00 0.00 33.01 30.46 1k6y s GLN 137 CO 0.13 -0.54 1.37 0.39 -2.12 0.00 0.00 175.29 174.52 1k6y n GLU 138 N 5.29 0.98 -1.92 2.91 -0.58 -1.02 -4.97 120.64 121.33 1k6y n GLU 138 Ca -0.10 -0.69 0.00 0.00 -0.42 0.00 0.00 57.16 55.95 1k6y n GLU 138 Cb 0.49 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 29.88 1k6y n GLU 138 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1k6y n ASP 139 N -0.41 -4.62 -3.93 1.62 -0.08 -1.20 -4.82 116.55 103.12 1k6y n ASP 139 Ca 0.11 0.55 -0.31 0.00 -1.51 0.00 0.00 54.79 53.63 1k6y n ASP 139 Cb 0.40 -0.95 -0.15 0.00 2.34 0.00 0.00 41.12 42.76 1k6y n ASP 139 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1k6y s GLY 149 N -0.07 1.78 0.57 0.27 0.00 -1.26 -4.57 107.32 104.04 1k6y s GLY 149 Ca 0.00 -2.43 0.26 0.00 0.00 0.00 0.00 44.72 42.56 1k6y s GLY 149 CO 0.00 1.14 2.15 -2.08 0.00 0.00 0.00 173.10 174.31 1k6y h VAL 150 N 6.37 0.61 0.16 1.40 2.07 -2.04 -1.06 116.25 123.76 1k6y h VAL 150 Ca -0.07 0.00 -0.35 0.00 0.82 0.00 0.00 66.70 67.10 1k6y h VAL 150 Cb 1.00 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 1k6y h VAL 150 CO 0.53 0.00 -1.81 0.40 0.02 0.00 0.00 177.57 176.70 1k6y h ILE 151 N 0.00 0.85 -0.08 4.57 2.04 -1.98 -3.00 117.51 119.91 1k6y h ILE 151 Ca 0.05 -2.49 -0.02 0.00 1.00 0.00 0.00 64.86 63.41 1k6y h ILE 151 Cb 0.27 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1k6y h ILE 151 CO -0.00 0.86 -0.03 -0.33 0.00 0.00 0.00 178.15 178.65 1k6y h GLU 152 N 0.09 0.12 -0.00 2.37 5.08 -1.82 0.33 114.58 120.75 1k6y h GLU 152 Ca -0.36 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 1k6y h GLU 152 Cb 2.07 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.30 1k6y h GLU 152 CO 0.15 0.17 -0.00 0.77 -1.00 0.00 0.00 179.01 179.09 1k6y h SER 153 N 0.12 0.00 -0.47 1.42 0.02 -1.32 -2.83 113.55 110.49 1k6y h SER 153 Ca 0.03 -0.68 -0.02 0.00 -0.84 0.00 0.00 61.79 60.28 1k6y h SER 153 Cb 0.14 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1k6y h SER 153 CO 0.01 0.68 0.20 0.24 -1.14 0.00 0.00 176.83 176.81 1k6y h MET 154 N -0.67 0.70 -0.21 3.45 2.86 -1.31 0.91 114.93 120.66 1k6y h MET 154 Ca -0.00 -0.12 0.05 0.00 -2.06 0.00 0.00 59.70 57.57 1k6y h MET 154 Cb 0.68 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 32.16 1k6y h MET 154 CO 0.00 0.62 -0.15 -0.91 1.06 0.00 0.00 176.91 177.52 1k6y h ASN 155 N 0.62 -0.49 0.43 1.22 4.21 -0.44 0.53 115.58 121.66 1k6y h ASN 155 Ca 0.16 0.10 -0.12 0.00 1.21 0.00 0.00 56.30 57.65 1k6y h ASN 155 Cb 0.17 0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.61 1k6y h ASN 155 CO -0.02 -0.19 -0.55 0.11 -1.29 0.00 0.00 177.43 175.50 1k6y h LYS 156 N -0.15 0.13 -0.14 0.81 1.79 -1.30 0.49 116.57 118.20 1k6y h LYS 156 Ca 0.12 -0.08 -0.22 0.00 -2.18 0.00 0.00 60.65 58.29 1k6y h LYS 156 Cb 0.33 0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.00 1k6y h LYS 156 CO -0.30 0.64 -0.78 1.49 -1.08 0.00 0.00 179.45 179.42 1k6y h GLU 157 N 0.10 0.75 -0.48 3.15 4.81 -0.29 -1.71 114.58 120.91 1k6y h GLU 157 Ca -0.00 -0.62 -0.07 0.00 -0.13 0.00 0.00 59.36 58.54 1k6y h GLU 157 Cb 1.00 0.13 -0.02 0.00 0.63 0.00 0.00 28.75 30.49 1k6y h GLU 157 CO 0.08 1.23 0.04 1.25 -0.73 0.00 0.00 179.01 180.88 1k6y h LEU 158 N 0.51 0.79 -1.20 1.64 5.85 0.19 -0.64 115.31 122.45 1k6y h LEU 158 Ca -0.05 -0.28 -0.06 0.00 0.84 0.00 0.00 57.88 58.33 1k6y h LEU 158 Cb 1.41 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 1k6y h LEU 158 CO 0.16 0.88 -0.09 0.11 -0.34 0.00 0.00 178.44 179.16 1k6y h LYS 159 N 0.68 0.44 -0.31 1.25 1.57 -0.90 -0.06 116.57 119.24 1k6y h LYS 159 Ca 0.14 -0.11 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 1k6y h LYS 159 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1k6y h LYS 159 CO 0.02 0.54 -0.29 -0.22 -0.57 0.00 0.00 179.45 178.92 1k6y h LYS 160 N 0.42 0.75 -0.60 3.15 3.64 -0.89 0.92 116.57 123.95 1k6y h LYS 160 Ca 0.08 -0.39 -0.08 0.00 -1.27 0.00 0.00 60.65 59.00 1k6y h LYS 160 Cb 0.42 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 1k6y h LYS 160 CO 0.02 1.01 0.08 0.82 -2.27 0.00 0.00 179.45 179.11 1k6y h ILE 161 N 0.51 1.26 -0.51 2.00 2.04 -0.79 0.10 117.51 122.13 1k6y h ILE 161 Ca 0.05 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.86 1k6y h ILE 161 Cb 0.87 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 1k6y h ILE 161 CO 0.07 0.38 0.19 0.40 0.00 0.00 0.00 178.15 179.19 1k6y h ILE 162 N 0.91 1.19 0.17 -0.67 2.04 -0.90 -2.10 117.51 118.16 1k6y h ILE 162 Ca 0.18 -0.62 -0.01 0.00 1.00 0.00 0.00 64.86 65.42 1k6y h ILE 162 Cb 0.45 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1k6y h ILE 162 CO 0.01 0.24 -0.08 1.23 0.00 0.00 0.00 178.15 179.55 1k6y h GLY 163 N 0.88 -0.24 0.24 5.37 0.00 0.19 0.31 103.07 109.82 1k6y h GLY 163 Ca 0.17 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.59 1k6y h GLY 163 CO -0.01 -0.09 0.00 0.61 0.00 0.00 0.00 176.54 177.05 1k6y n GLN 164 N -5.15 0.68 0.00 4.80 10.64 0.26 -3.27 117.38 125.34 1k6y n GLN 164 Ca -0.09 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1k6y n GLN 164 Cb 0.15 -1.12 0.00 0.00 -0.86 0.00 0.00 30.24 28.41 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 -0.62 0.00 -0.34 -0.39 3.14 -0.87 -4.90 118.33 114.34 1k6y n VAL 165 Ca 0.04 -0.00 0.19 0.00 -2.96 0.00 0.00 64.34 61.61 1k6y n VAL 165 Cb 0.02 1.67 0.42 0.00 -1.06 0.00 0.00 33.84 34.89 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 0.00 0.52 0.00 1.45 9.65 -0.38 -0.64 114.38 124.98 1k6y h ARG 166 Ca 0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.85 1k6y h ARG 166 Cb 0.33 -0.12 0.00 0.00 -1.39 0.00 0.00 29.97 28.80 1k6y h ARG 166 CO 0.00 0.34 0.00 -0.40 2.80 0.00 0.00 179.97 182.71 1k6y n ASP 167 N -4.81 0.00 -0.43 -3.80 5.75 -1.26 -2.71 116.55 109.29 1k6y n ASP 167 Ca 0.27 -1.00 0.13 0.00 -0.01 0.00 0.00 54.79 54.17 1k6y n ASP 167 Cb 0.78 0.00 0.27 0.00 -1.03 0.00 0.00 41.12 41.15 1k6y n ASP 167 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1k6y n GLN 168 N -0.86 1.23 -3.82 0.11 6.02 -0.25 -4.89 117.38 114.93 1k6y n GLN 168 Ca 0.13 -0.85 -0.12 0.00 -0.01 0.00 0.00 57.00 56.15 1k6y n GLN 168 Cb 0.06 -1.48 -0.11 0.00 1.02 0.00 0.00 30.24 29.73 1k6y n GLN 168 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1k6y s ALA 169 N -2.36 -0.48 -0.06 -1.58 0.00 -1.10 -5.04 121.76 111.14 1k6y s ALA 169 Ca 0.25 0.34 -0.25 0.00 0.00 0.00 0.00 51.96 52.31 1k6y s ALA 169 Cb 0.19 -0.17 -0.20 0.00 0.00 0.00 0.00 23.12 22.94 1k6y s ALA 169 CO 0.48 -0.15 1.00 1.49 0.00 0.00 0.00 175.76 178.58 1k6y h GLU 170 N 5.18 -0.06 -6.13 0.00 4.81 -1.90 -3.45 114.58 113.03 1k6y h GLU 170 Ca -0.27 0.00 -0.59 0.00 -0.13 0.00 0.00 59.36 58.37 1k6y h GLU 170 Cb 1.19 0.01 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 1k6y h GLU 170 CO 0.39 0.55 -0.12 -1.01 -0.73 0.00 0.00 179.01 178.08 1k6y s HIS 171 N -3.41 3.75 0.30 0.92 3.76 -1.26 -4.98 115.29 114.37 1k6y s HIS 171 Ca -0.16 1.12 0.03 0.00 -0.15 0.00 0.00 55.06 55.90 1k6y s HIS 171 Cb -0.00 -2.38 0.60 0.00 1.11 0.00 0.00 32.58 31.91 1k6y s HIS 171 CO 0.61 0.60 1.86 1.25 -0.85 0.00 0.00 174.74 178.22 1k6y h LEU 172 N 4.53 0.87 -0.73 0.89 5.85 -1.95 -2.72 115.31 122.05 1k6y h LEU 172 Ca -0.51 0.03 0.12 0.00 0.84 0.00 0.00 57.88 58.37 1k6y h LEU 172 Cb 1.21 -0.14 -0.13 0.00 0.37 0.00 0.00 40.66 41.97 1k6y h LEU 172 CO 0.63 0.49 -0.34 0.11 -0.34 0.00 0.00 178.44 178.98 1k6y h LYS 173 N 0.95 -0.10 -0.47 1.25 1.57 -1.97 0.48 116.57 118.29 1k6y h LYS 173 Ca 0.46 0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 59.15 1k6y h LYS 173 Cb 0.45 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1k6y h LYS 173 CO -0.22 -0.06 -0.08 1.15 -0.57 0.00 0.00 179.45 179.66 1k6y h THR 174 N -0.10 1.27 -0.44 -0.16 2.02 -1.91 -1.73 112.91 111.86 1k6y h THR 174 Ca 0.28 -1.20 0.04 0.00 0.77 0.00 0.00 66.41 66.30 1k6y h THR 174 Cb 0.57 1.08 -0.04 0.00 -1.74 0.00 0.00 68.15 68.02 1k6y h THR 174 CO -0.79 0.41 0.21 0.00 0.37 0.00 0.00 175.52 175.72 1k6y h ALA 175 N 0.89 0.54 -0.22 6.16 0.00 -0.86 0.24 119.26 126.01 1k6y h ALA 175 Ca 0.12 0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1k6y h ALA 175 Cb 0.62 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.34 1k6y h ALA 175 CO 0.04 -0.15 0.03 0.28 0.00 0.00 0.00 179.25 179.45 1k6y h VAL 176 N 0.42 0.88 -0.48 0.00 2.07 0.06 0.99 116.25 120.19 1k6y h VAL 176 Ca 0.19 -0.04 -0.04 0.00 0.82 0.00 0.00 66.70 67.63 1k6y h VAL 176 Cb 0.11 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1k6y h VAL 176 CO -0.14 0.02 0.12 1.56 0.02 0.00 0.00 177.57 179.15 1k6y h GLN 177 N 0.11 0.73 -0.71 1.57 1.08 -0.52 -0.54 115.11 116.83 1k6y h GLN 177 Ca 0.10 -0.14 -0.06 0.00 -1.45 0.00 0.00 58.65 57.11 1k6y h GLN 177 Cb 0.11 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.39 1k6y h GLN 177 CO -0.15 0.66 0.22 0.52 -0.95 0.00 0.00 178.83 179.13 1k6y h MET 178 N 0.71 1.09 -0.68 1.46 2.86 0.22 -1.29 114.93 119.30 1k6y h MET 178 Ca 0.16 -0.23 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1k6y h MET 178 Cb 0.26 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 1k6y h MET 178 CO -0.00 0.93 0.11 0.00 1.06 0.00 0.00 176.91 179.01 1k6y h ALA 179 N 1.18 0.90 -0.36 6.32 0.00 0.14 -0.49 119.26 126.96 1k6y h ALA 179 Ca 0.23 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1k6y h ALA 179 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1k6y h ALA 179 CO -0.01 0.67 0.06 0.28 0.00 0.00 0.00 179.25 180.25 1k6y h VAL 180 N 1.05 1.24 -0.05 0.00 2.07 -0.89 -0.24 116.25 119.43 1k6y h VAL 180 Ca 0.21 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.92 1k6y h VAL 180 Cb 0.44 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 1k6y h VAL 180 CO 0.01 0.28 -0.12 0.15 0.02 0.00 0.00 177.57 177.91 1k6y h PHE 181 N 0.44 -0.31 -0.43 1.57 3.04 -0.93 -0.72 116.94 119.60 1k6y h PHE 181 Ca 0.11 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.07 1k6y h PHE 181 Cb 0.35 0.15 -0.02 0.00 2.56 0.00 0.00 35.95 38.99 1k6y h PHE 181 CO 0.02 -0.18 0.27 0.82 -2.02 0.00 0.00 178.31 177.22 1k6y h ILE 182 N -0.18 1.13 -0.78 1.41 2.04 -0.95 -1.19 117.51 118.98 1k6y h ILE 182 Ca 0.06 -0.27 -0.01 0.00 1.00 0.00 0.00 64.86 65.64 1k6y h ILE 182 Cb 0.27 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.84 1k6y h ILE 182 CO -0.15 0.12 0.45 -0.74 0.00 0.00 0.00 178.15 177.83 1k6y h HIS 183 N 0.57 1.05 0.00 1.37 2.76 -0.69 0.20 115.15 120.41 1k6y h HIS 183 Ca 0.16 -0.01 -0.00 0.00 -2.20 0.00 0.00 60.37 58.31 1k6y h HIS 183 Cb -0.03 -0.34 -0.00 0.00 1.55 0.00 0.00 27.41 28.59 1k6y h HIS 183 CO -0.04 0.72 -0.44 -0.91 -1.30 0.00 0.00 177.93 175.96 1k6y h ASN 184 N 1.08 0.00 0.00 3.26 2.35 -0.98 -3.39 115.58 117.89 1k6y h ASN 184 Ca 0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.03 1k6y h ASN 184 Cb -0.01 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.36 1k6y h ASN 184 CO -0.05 0.01 -0.37 0.29 -1.65 0.00 0.00 177.43 175.66 1k6y n LYS 185 N -2.92 3.25 -0.13 0.81 5.02 -0.46 -0.39 118.16 123.34 1k6y n LYS 185 Ca 0.02 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.39 1k6y n LYS 185 Cb 0.54 -0.62 0.14 0.00 -0.02 0.00 0.00 35.03 35.08 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 -0.89 1.89 -3.79 1.97 4.76 0.70 -4.87 118.16 117.93 1k6y n LYS 186 Ca 0.00 -2.44 -0.30 0.00 -2.87 0.00 0.00 58.31 52.70 1k6y n LYS 186 Cb 0.00 -1.47 -0.15 0.00 -1.84 0.00 0.00 35.03 31.57 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 -2.51 1.03 0.30 1.97 1.81 -1.20 -4.97 118.95 115.38 1k6y s ARG 187 Ca 0.28 -1.48 0.07 0.00 -1.72 0.00 0.00 55.73 52.88 1k6y s ARG 187 Cb 0.24 -2.35 -0.03 0.00 -0.45 0.00 0.00 34.95 32.36 1k6y s ARG 187 CO 0.04 -1.02 0.28 0.15 -0.68 0.00 0.00 175.30 174.07 1k6y s LYS 188 N 1.14 2.90 0.00 3.54 1.02 -1.26 -4.34 119.74 122.75 1k6y s LYS 188 Ca 0.12 -1.13 0.00 0.00 0.02 0.00 0.00 55.97 54.98 1k6y s LYS 188 Cb -0.19 -2.58 0.00 0.00 -0.52 0.00 0.00 37.83 34.54 1k6y s LYS 188 CO -0.15 0.24 0.00 0.41 -0.92 0.00 0.00 175.35 174.92 1k6y n GLY 189 N -1.33 -1.25 0.04 -3.33 0.00 -1.04 -4.96 105.19 93.32 1k6y n GLY 189 Ca -0.05 -0.98 0.01 0.00 0.00 0.00 0.00 46.02 45.00 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 -0.06 -1.53 0.25 -0.02 0.00 -1.26 -2.54 105.19 100.02 1k6y n GLY 190 Ca 0.00 -1.51 -0.06 0.00 0.00 0.00 0.00 46.02 44.44 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 -0.04 0.43 -0.00 -0.61 2.04 -1.98 -1.26 117.51 116.09 1k6y h ILE 191 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1k6y h ILE 191 Cb 0.04 0.43 0.00 0.00 -0.74 0.00 0.00 36.82 36.54 1k6y h ILE 191 CO 0.00 0.00 -0.06 0.61 0.00 0.00 0.00 178.15 178.70 1k6y n GLY 192 N -1.37 -0.98 3.36 5.37 0.00 -1.26 -4.90 105.19 105.40 1k6y n GLY 192 Ca 0.01 -0.24 -0.22 0.00 0.00 0.00 0.00 46.02 45.57 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 1.23 -0.46 3.90 -0.02 0.00 -0.48 -4.99 105.19 104.38 1k6y n GLY 193 Ca 0.16 0.18 -0.28 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.27 3.45 0.40 1.61 4.12 -1.05 -4.45 117.35 118.16 1k6y s TYR 194 Ca 0.49 0.85 0.04 0.00 0.02 0.00 0.00 57.07 58.48 1k6y s TYR 194 Cb -0.22 -2.58 -0.00 0.00 -1.52 0.00 0.00 41.96 37.64 1k6y s TYR 194 CO 0.61 -0.60 0.57 -1.54 0.02 0.00 0.00 175.55 174.61 1k6y s SER 195 N -4.21 5.82 0.37 2.29 1.04 -1.26 -2.49 113.70 115.27 1k6y s SER 195 Ca 0.52 -0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.94 1k6y s SER 195 Cb -0.11 -1.21 0.73 0.00 0.10 0.00 0.00 66.02 65.54 1k6y s SER 195 CO 0.47 -0.63 1.98 0.00 0.98 0.00 0.00 173.24 176.04 1k6y h ALA 196 N 0.63 1.55 -0.38 5.32 0.00 -1.74 -1.36 119.26 123.29 1k6y h ALA 196 Ca -0.45 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.29 1k6y h ALA 196 Cb 1.26 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1k6y h ALA 196 CO 0.53 0.35 -0.05 0.78 0.00 0.00 0.00 179.25 180.86 1k6y h GLY 197 N 0.70 0.69 1.90 0.00 0.00 -1.03 -2.15 103.07 103.17 1k6y h GLY 197 Ca 0.14 -0.46 -0.20 0.00 0.00 0.00 0.00 47.33 46.81 1k6y h GLY 197 CO -0.01 0.42 -0.90 0.83 0.00 0.00 0.00 176.54 176.87 1k6y h GLU 198 N 0.59 0.08 -0.30 4.80 5.08 -1.62 -3.11 114.58 120.10 1k6y h GLU 198 Ca 0.12 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1k6y h GLU 198 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1k6y h GLU 198 CO 0.02 0.93 0.03 0.00 -1.00 0.00 0.00 179.01 178.99 1k6y h ARG 199 N 0.04 0.51 -0.17 2.33 3.08 -0.87 0.22 114.38 119.52 1k6y h ARG 199 Ca -0.03 -0.15 -0.01 0.00 0.07 0.00 0.00 59.98 59.86 1k6y h ARG 199 Cb 1.57 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 31.56 1k6y h ARG 199 CO 0.13 0.63 0.07 0.97 -1.07 0.00 0.00 179.97 180.70 1k6y h ILE 200 N 0.33 1.16 -0.74 2.04 2.10 -1.48 0.11 117.51 121.03 1k6y h ILE 200 Ca 0.09 -0.49 0.05 0.00 1.08 0.00 0.00 64.86 65.59 1k6y h ILE 200 Cb 0.38 1.17 -0.04 0.00 -1.09 0.00 0.00 36.82 37.23 1k6y h ILE 200 CO 0.01 0.16 0.48 0.58 -1.08 0.00 0.00 178.15 178.30 1k6y h VAL 201 N 0.12 1.06 -0.07 2.19 2.07 -1.47 -1.00 116.25 119.16 1k6y h VAL 201 Ca 0.06 -0.28 -0.08 0.00 0.82 0.00 0.00 66.70 67.22 1k6y h VAL 201 Cb 0.18 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 1k6y h VAL 201 CO -0.00 0.15 -0.27 -0.78 0.02 0.00 0.00 177.57 176.69 1k6y h ASP 202 N 0.82 0.35 -0.81 0.57 3.58 -0.53 -1.83 116.42 118.57 1k6y h ASP 202 Ca 0.31 -0.64 0.02 0.00 0.42 0.00 0.00 57.03 57.14 1k6y h ASP 202 Cb 0.17 -0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.08 1k6y h ASP 202 CO -0.10 0.93 0.53 0.40 -2.88 0.00 0.00 179.24 178.12 1k6y h ILE 203 N -0.21 1.18 -0.06 2.25 2.04 -0.47 0.07 117.51 122.30 1k6y h ILE 203 Ca -0.01 -0.36 -0.22 0.00 1.00 0.00 0.00 64.86 65.26 1k6y h ILE 203 Cb 0.91 0.02 0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1k6y h ILE 203 CO 0.06 0.19 -0.81 0.40 0.00 0.00 0.00 178.15 177.99 1k6y h ILE 204 N 1.06 1.31 -0.79 -0.67 2.04 -1.25 -0.95 117.51 118.27 1k6y h ILE 204 Ca 0.31 -2.07 0.00 0.00 1.00 0.00 0.00 64.86 64.10 1k6y h ILE 204 Cb -0.08 2.26 -0.04 0.00 -0.74 0.00 0.00 36.82 38.23 1k6y h ILE 204 CO -0.08 0.64 0.51 0.00 0.00 0.00 0.00 178.15 179.22 1k6y h ALA 205 N 0.44 1.01 -0.41 1.87 0.00 -1.14 -0.30 119.26 120.73 1k6y h ALA 205 Ca -0.08 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 1k6y h ALA 205 Cb 1.46 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1k6y h ALA 205 CO 0.16 0.43 0.22 1.15 0.00 0.00 0.00 179.25 181.21 1k6y h THR 206 N 1.08 1.16 -0.82 0.00 2.02 -0.94 -2.29 112.91 113.12 1k6y h THR 206 Ca 0.29 -0.44 0.06 0.00 0.77 0.00 0.00 66.41 67.09 1k6y h THR 206 Cb -0.10 0.70 -0.06 0.00 -1.74 0.00 0.00 68.15 66.94 1k6y h THR 206 CO -0.06 0.17 0.50 -0.78 0.37 0.00 0.00 175.52 175.73 1k6y h ASP 207 N 0.53 0.79 -0.18 4.18 3.58 -0.45 0.11 116.42 124.98 1k6y h ASP 207 Ca 0.14 0.02 0.01 0.00 0.42 0.00 0.00 57.03 57.62 1k6y h ASP 207 Cb 0.08 -0.15 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1k6y h ASP 207 CO -0.02 0.50 0.12 0.40 -2.88 0.00 0.00 179.24 177.36 1k6y h ILE 208 N 0.92 1.03 0.00 2.25 2.04 -0.60 -1.66 117.51 121.50 1k6y h ILE 208 Ca 0.36 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 66.14 1k6y h ILE 208 Cb 0.17 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.04 1k6y h ILE 208 CO -0.17 0.04 0.00 1.56 0.00 0.00 0.00 178.15 179.58 1k6y h GLN 209 N 0.22 0.00 -0.02 2.37 1.08 -0.23 -3.51 115.11 115.02 1k6y h GLN 209 Ca 0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 1k6y h GLN 209 Cb 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.43 1k6y h GLN 209 CO -0.01 0.00 0.00 2.41 -0.95 0.00 0.00 178.83 180.28