#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 8.22 -1.41 4.37 4.77 -1.26 -4.08 117.00 127.61 1k6y n LEU 2 Ca 0.00 -4.34 -0.15 0.00 -0.03 0.00 0.00 56.01 51.49 1k6y n LEU 2 Cb 0.00 -1.58 -0.04 0.00 -2.33 0.00 0.00 43.42 39.48 1k6y n LEU 2 CO 0.00 1.81 -0.17 0.47 -1.33 0.00 0.00 177.39 178.18 1k6y n ASP 3 N 4.16 -4.69 0.15 -1.43 8.00 -1.26 -4.86 116.55 116.62 1k6y n ASP 3 Ca 0.71 0.19 -0.00 0.00 0.71 0.00 0.00 54.79 56.39 1k6y n ASP 3 Cb 0.27 -3.66 0.20 0.00 -0.02 0.00 0.00 41.12 37.92 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 0.98 0.44 0.00 -1.86 -2.77 103.07 99.86 1k6y h GLY 4 Ca -0.33 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1k6y h GLY 4 CO 0.44 0.00 0.25 -2.22 0.00 0.00 0.00 176.54 175.01 1k6y h ILE 5 N 0.00 1.14 -0.23 2.60 2.04 -1.88 0.12 117.51 121.30 1k6y h ILE 5 Ca -0.01 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1k6y h ILE 5 Cb 1.02 0.59 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 1k6y h ILE 5 CO 0.07 0.15 0.10 -0.78 0.00 0.00 0.00 178.15 177.69 1k6y h ASP 6 N 0.57 0.14 -0.50 1.72 3.58 -1.91 -0.04 116.42 119.97 1k6y h ASP 6 Ca 0.15 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.57 1k6y h ASP 6 Cb 0.02 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.04 1k6y h ASP 6 CO -0.03 0.11 0.11 0.11 -2.88 0.00 0.00 179.24 176.66 1k6y h LYS 7 N 0.22 0.81 -0.35 0.28 1.57 -1.20 -2.63 116.57 115.27 1k6y h LYS 7 Ca 0.10 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 1k6y h LYS 7 Cb 0.04 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1k6y h LYS 7 CO -0.08 0.79 -0.05 0.00 -0.57 0.00 0.00 179.45 179.54 1k6y h ALA 8 N 0.98 1.25 -0.38 3.86 0.00 -0.56 -2.03 119.26 122.39 1k6y h ALA 8 Ca 0.16 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1k6y h ALA 8 Cb 0.36 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1k6y h ALA 8 CO 0.00 0.49 0.16 0.37 0.00 0.00 0.00 179.25 180.28 1k6y h GLN 9 N 0.54 0.55 -0.09 0.00 5.75 -0.76 -0.52 115.11 120.59 1k6y h GLN 9 Ca 0.11 -0.09 -0.15 0.00 -0.15 0.00 0.00 58.65 58.37 1k6y h GLN 9 Cb 0.43 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1k6y h GLN 9 CO 0.02 0.52 -0.60 1.05 -2.65 0.00 0.00 178.83 177.17 1k6y h GLU 10 N 0.46 0.29 -0.43 1.69 4.11 -1.29 -0.66 114.58 118.75 1k6y h GLU 10 Ca 0.13 -0.20 -0.01 0.00 0.07 0.00 0.00 59.36 59.35 1k6y h GLU 10 Cb 0.16 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1k6y h GLU 10 CO -0.01 0.81 0.23 1.49 0.07 0.00 0.00 179.01 181.60 1k6y h GLU 11 N 0.22 0.60 -0.37 1.06 4.57 -1.12 -2.69 114.58 116.85 1k6y h GLU 11 Ca -0.01 -0.07 -0.10 0.00 -1.18 0.00 0.00 59.36 58.00 1k6y h GLU 11 Cb 1.11 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 29.57 1k6y h GLU 11 CO 0.10 0.48 -0.19 1.25 -1.18 0.00 0.00 179.01 179.46 1k6y h HIS 12 N 0.56 0.78 -0.48 0.92 2.76 -0.90 -0.54 115.15 118.24 1k6y h HIS 12 Ca 0.15 -0.16 0.07 0.00 -2.20 0.00 0.00 60.37 58.23 1k6y h HIS 12 Cb 0.05 -0.19 -0.03 0.00 1.55 0.00 0.00 27.41 28.79 1k6y h HIS 12 CO -0.02 0.83 0.33 1.49 -1.30 0.00 0.00 177.93 179.26 1k6y h GLU 13 N 0.62 0.37 0.00 5.26 4.81 -0.80 0.71 114.58 125.55 1k6y h GLU 13 Ca 0.09 -0.02 -0.20 0.00 -0.13 0.00 0.00 59.36 59.10 1k6y h GLU 13 Cb 0.66 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 1k6y h GLU 13 CO 0.05 0.25 -1.25 1.63 -0.73 0.00 0.00 179.01 178.96 1k6y n LYS 14 N -4.47 0.54 0.00 1.92 5.02 -1.08 -4.67 118.16 115.42 1k6y n LYS 14 Ca 0.07 0.51 0.10 0.00 -2.02 0.00 0.00 58.31 56.97 1k6y n LYS 14 Cb 0.27 -1.69 -0.00 0.00 -0.02 0.00 0.00 35.03 33.59 1k6y n LYS 14 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1k6y n TYR 15 N -4.45 0.00 -3.95 2.13 4.01 -0.23 -5.00 117.16 109.66 1k6y n TYR 15 Ca -0.29 0.00 -0.26 0.00 -0.16 0.00 0.00 57.90 57.19 1k6y n TYR 15 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.63 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 -0.01 -1.73 -1.77 -0.72 8.25 0.25 -4.90 115.22 114.57 1k6y n HIS 16 Ca 0.08 0.78 -0.38 0.00 -0.26 0.00 0.00 57.72 57.94 1k6y n HIS 16 Cb 0.42 -3.74 0.05 0.00 1.12 0.00 0.00 29.99 27.84 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 -4.17 5.15 0.83 0.41 0.01 -1.26 -5.00 113.70 109.67 1k6y s SER 17 Ca 0.14 2.75 -0.11 0.00 1.31 0.00 0.00 55.95 60.04 1k6y s SER 17 Cb -0.07 -2.63 0.09 0.00 0.21 0.00 0.00 66.02 63.61 1k6y s SER 17 CO 0.88 -1.65 1.09 0.20 0.41 0.00 0.00 173.24 174.17 1k6y s ASN 18 N -1.02 4.02 0.30 2.44 0.01 -1.26 -4.85 114.94 114.58 1k6y s ASN 18 Ca 0.73 1.69 0.04 0.00 -0.71 0.00 0.00 52.86 54.61 1k6y s ASN 18 Cb -0.40 -2.37 0.48 0.00 0.41 0.00 0.00 41.25 39.37 1k6y s ASN 18 CO 0.46 -2.32 1.75 4.11 -1.51 0.00 0.00 177.10 179.59 1k6y h TRP 19 N -1.33 0.45 -0.41 2.20 5.08 -1.95 -1.99 115.95 118.00 1k6y h TRP 19 Ca -0.46 -0.09 -0.03 0.00 1.08 0.00 0.00 58.89 59.39 1k6y h TRP 19 Cb 1.25 -0.11 -0.02 0.00 -3.00 0.00 0.00 29.16 27.29 1k6y h TRP 19 CO 0.51 0.63 0.16 0.00 -1.28 0.00 0.00 178.44 178.45 1k6y h ARG 20 N 0.36 0.61 -0.57 0.12 3.08 -1.94 0.17 114.38 116.20 1k6y h ARG 20 Ca 0.05 -0.12 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 1k6y h ARG 20 Cb 0.64 -0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1k6y h ARG 20 CO 0.05 0.58 0.33 0.00 -1.07 0.00 0.00 179.97 179.86 1k6y h ALA 21 N 1.00 0.73 -0.11 0.04 0.00 -1.90 -0.81 119.26 118.21 1k6y h ALA 21 Ca 0.13 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.80 1k6y h ALA 21 Cb 0.20 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1k6y h ALA 21 CO -0.01 0.23 -0.59 0.52 0.00 0.00 0.00 179.25 179.41 1k6y h MET 22 N 0.77 0.37 -0.46 0.00 2.86 -1.07 0.25 114.93 117.66 1k6y h MET 22 Ca 0.20 -0.25 -0.02 0.00 -2.06 0.00 0.00 59.70 57.57 1k6y h MET 22 Cb 0.02 0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 1k6y h MET 22 CO -0.03 0.85 0.19 0.00 1.06 0.00 0.00 176.91 178.98 1k6y h ALA 23 N 1.09 0.59 -0.02 6.32 0.00 -0.40 -1.03 119.26 125.81 1k6y h ALA 23 Ca -0.00 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 1k6y h ALA 23 Cb 1.11 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.73 1k6y h ALA 23 CO 0.10 0.19 -0.33 1.03 0.00 0.00 0.00 179.25 180.24 1k6y h SER 24 N 0.60 0.33 -0.46 0.00 0.87 -1.02 -1.25 113.55 112.61 1k6y h SER 24 Ca 0.15 -0.73 -0.03 0.00 -1.23 0.00 0.00 61.79 59.95 1k6y h SER 24 Cb 0.18 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 62.02 1k6y h SER 24 CO -0.01 1.01 0.16 0.44 -0.53 0.00 0.00 176.83 177.89 1k6y h ASP 25 N -0.33 0.65 -0.42 6.23 3.32 -0.50 -3.22 116.42 122.15 1k6y h ASP 25 Ca -0.03 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.82 1k6y h ASP 25 Cb 1.04 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.42 1k6y h ASP 25 CO 0.07 0.67 0.00 0.49 -1.72 0.00 0.00 179.24 178.74 1k6y n PHE 26 N -4.56 1.22 -3.90 4.55 3.01 -0.39 -4.98 117.46 112.40 1k6y n PHE 26 Ca 0.01 -0.74 -0.34 0.00 1.01 0.00 0.00 57.45 57.39 1k6y n PHE 26 Cb 0.17 -0.30 0.01 0.00 -0.01 0.00 0.00 39.48 39.35 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 0.20 -3.26 -4.55 4.37 3.02 -0.74 -4.02 115.26 110.28 1k6y n ASN 27 Ca 0.22 -1.11 -0.31 0.00 -0.03 0.00 0.00 54.58 53.36 1k6y n ASN 27 Cb 0.89 -2.73 -0.11 0.00 -0.61 0.00 0.00 39.78 37.22 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 -6.92 2.95 0.46 3.41 1.43 -0.55 -3.42 118.68 116.05 1k6y s LEU 28 Ca 0.32 -0.34 -0.23 0.00 -1.03 0.00 0.00 54.13 52.85 1k6y s LEU 28 Cb -0.14 -1.74 -0.07 0.00 0.03 0.00 0.00 46.19 44.27 1k6y s LEU 28 CO 0.91 0.23 1.23 -2.16 0.23 0.00 0.00 176.35 176.79 1k6y s PRO 29 N -1.79 3.68 0.33 1.29 0.04 -1.26 -4.55 135.00 132.74 1k6y s PRO 29 Ca 0.18 1.96 0.13 0.00 0.04 0.00 0.00 61.00 63.30 1k6y s PRO 29 Cb -0.11 -2.46 1.00 0.00 0.04 0.00 0.00 34.50 32.97 1k6y s PRO 29 CO 0.10 -0.66 1.70 -1.35 0.04 0.00 0.00 177.00 176.82 1k6y h PRO 30 N 2.09 0.43 -0.64 0.56 0.11 -1.93 -0.71 132.00 131.90 1k6y h PRO 30 Ca -0.50 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 1k6y h PRO 30 Cb 1.26 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.24 1k6y h PRO 30 CO 0.60 0.28 0.36 -0.24 -0.21 0.00 0.00 178.00 178.79 1k6y h VAL 31 N 0.44 1.19 -0.19 3.15 3.04 -1.90 0.92 116.25 122.91 1k6y h VAL 31 Ca 0.69 -0.47 -0.10 0.00 -1.01 0.00 0.00 66.70 65.81 1k6y h VAL 31 Cb 1.48 0.32 -0.00 0.00 -2.01 0.00 0.00 31.29 31.08 1k6y h VAL 31 CO -0.53 0.21 -0.27 0.58 -1.01 0.00 0.00 177.57 176.54 1k6y h VAL 32 N 0.89 1.34 -0.56 1.51 2.07 -1.50 -2.71 116.25 117.29 1k6y h VAL 32 Ca 0.23 -1.48 -0.04 0.00 0.82 0.00 0.00 66.70 66.23 1k6y h VAL 32 Cb 0.01 1.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 1k6y h VAL 32 CO -0.04 0.45 0.20 0.00 0.02 0.00 0.00 177.57 178.20 1k6y h ALA 33 N 0.61 0.73 0.00 1.67 0.00 -1.07 -2.34 119.26 118.85 1k6y h ALA 33 Ca 0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 1k6y h ALA 33 Cb 0.85 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 1k6y h ALA 33 CO 0.06 0.36 -0.11 0.87 0.00 0.00 0.00 179.25 180.44 1k6y h LYS 34 N 0.77 0.00 -0.01 0.00 1.57 -0.84 -2.09 116.57 115.96 1k6y h LYS 34 Ca 0.18 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.75 1k6y h LYS 34 Cb 0.24 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1k6y h LYS 34 CO -0.01 0.11 -0.88 1.49 -0.57 0.00 0.00 179.45 179.58 1k6y h GLU 35 N 0.00 0.32 -0.73 3.15 4.57 -1.09 -1.32 114.58 119.48 1k6y h GLU 35 Ca -0.00 -0.33 -0.02 0.00 -1.18 0.00 0.00 59.36 57.82 1k6y h GLU 35 Cb 0.38 0.09 -0.03 0.00 -0.16 0.00 0.00 28.75 29.03 1k6y h GLU 35 CO 0.01 1.02 0.36 0.82 -1.18 0.00 0.00 179.01 180.04 1k6y h ILE 36 N 0.19 1.24 -0.06 2.32 2.04 -1.03 -0.21 117.51 121.99 1k6y h ILE 36 Ca -0.06 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.14 1k6y h ILE 36 Cb 1.51 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1k6y h ILE 36 CO 0.15 0.27 0.00 0.58 0.00 0.00 0.00 178.15 179.15 1k6y h VAL 37 N 1.02 1.25 -0.51 1.67 2.07 -1.44 -2.91 116.25 117.39 1k6y h VAL 37 Ca 0.25 -0.76 0.08 0.00 0.82 0.00 0.00 66.70 67.10 1k6y h VAL 37 Cb 0.11 1.63 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 1k6y h VAL 37 CO -0.03 0.21 0.35 0.00 0.02 0.00 0.00 177.57 178.11 1k6y h ALA 38 N 0.73 2.02 0.00 1.67 0.00 -0.93 -1.05 119.26 121.70 1k6y h ALA 38 Ca 0.02 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1k6y h ALA 38 Cb 0.33 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1k6y h ALA 38 CO 0.00 -0.13 -0.07 0.77 0.00 0.00 0.00 179.25 179.82 1k6y h SER 39 N 0.35 0.00 -3.45 0.00 0.02 -0.86 -3.45 113.55 106.16 1k6y h SER 39 Ca 0.23 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.65 1k6y h SER 39 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 1k6y h SER 39 CO -0.06 0.07 0.32 0.00 -1.14 0.00 0.00 176.83 176.02 1k6y h ASP 41 N 6.34 0.00 0.45 0.00 3.32 -1.87 -3.13 116.42 121.53 1k6y h ASP 41 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1k6y h ASP 41 Cb 1.21 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1k6y h ASP 41 CO 0.74 0.00 -0.30 0.29 -1.72 0.00 0.00 179.24 178.25 1k6y n LYS 42 N -3.00 0.38 -2.39 3.56 4.76 -1.26 -4.98 118.16 115.23 1k6y n LYS 42 Ca 0.01 -0.19 -0.05 0.00 -2.87 0.00 0.00 58.31 55.22 1k6y n LYS 42 Cb 0.34 -1.50 -0.01 0.00 -1.84 0.00 0.00 35.03 32.02 1k6y n LYS 42 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1k6y s GLN 44 N -2.26 0.87 0.55 0.00 -1.52 -1.26 -4.97 119.66 111.07 1k6y s GLN 44 Ca 0.01 0.23 -0.20 0.00 -1.95 0.00 0.00 55.36 53.44 1k6y s GLN 44 Cb 0.00 0.41 -0.05 0.00 -0.22 0.00 0.00 33.01 33.15 1k6y s GLN 44 CO 0.01 -0.24 1.22 -0.51 -0.25 0.00 0.00 175.29 175.51 1k6y s LEU 45 N -0.95 3.78 0.00 2.90 1.43 -1.26 -4.99 118.68 119.59 1k6y s LEU 45 Ca -0.10 2.41 0.00 0.00 -1.03 0.00 0.00 54.13 55.41 1k6y s LEU 45 Cb -0.02 -4.46 0.00 0.00 0.03 0.00 0.00 46.19 41.74 1k6y s LEU 45 CO 0.07 -1.40 0.00 0.29 0.23 0.00 0.00 176.35 175.54 1k6y n LYS 46 N -1.21 0.00 0.00 1.70 5.02 -1.26 -5.17 118.16 117.24 1k6y n LYS 46 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.40 1k6y n LYS 46 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.50 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 6.66 0.51 0.00 0.15 -1.26 -4.82 113.70 114.94 1k6y s SER 57 Ca 0.00 2.67 0.26 0.00 0.70 0.00 0.00 55.95 59.58 1k6y s SER 57 Cb 0.00 -2.63 1.41 0.00 -1.71 0.00 0.00 66.02 63.10 1k6y s SER 57 CO 0.00 -0.68 1.77 -0.65 1.20 0.00 0.00 173.24 174.87 1k6y h PRO 58 N 4.81 0.00 -0.54 5.44 0.11 -1.98 -2.08 132.00 137.76 1k6y h PRO 58 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1k6y h PRO 58 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1k6y h PRO 58 CO 0.76 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.96 1k6y n GLY 59 N -1.23 2.75 3.69 -0.55 0.00 -1.26 -4.96 105.19 103.64 1k6y n GLY 59 Ca -0.02 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 44.96 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 -1.26 5.17 0.00 -0.61 1.01 -0.78 -1.70 121.20 123.03 1k6y s ILE 60 Ca 0.39 0.89 0.05 0.00 0.00 0.00 0.00 60.65 61.97 1k6y s ILE 60 Cb 0.22 -3.80 -0.01 0.00 0.01 0.00 0.00 42.46 38.88 1k6y s ILE 60 CO 0.24 0.27 -0.14 0.26 0.00 0.00 0.00 174.94 175.56 1k6y s TRP 61 N 1.05 1.29 -0.15 3.97 0.52 0.10 -2.84 118.94 122.88 1k6y s TRP 61 Ca 0.24 -0.28 -0.04 0.00 0.02 0.00 0.00 56.10 56.04 1k6y s TRP 61 Cb -0.15 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.33 1k6y s TRP 61 CO 0.09 -0.00 -0.01 -1.14 0.02 0.00 0.00 176.95 175.91 1k6y s GLN 62 N -0.58 3.61 -0.08 4.98 0.74 -0.40 0.81 119.66 128.74 1k6y s GLN 62 Ca 0.05 -0.46 0.03 0.00 0.05 0.00 0.00 55.36 55.03 1k6y s GLN 62 Cb -0.06 -2.96 -0.02 0.00 1.10 0.00 0.00 33.01 31.07 1k6y s GLN 62 CO 0.00 0.34 -0.18 -1.17 -0.55 0.00 0.00 175.29 173.72 1k6y s LEU 63 N 0.12 2.45 0.22 3.68 2.96 0.40 -0.63 118.68 127.87 1k6y s LEU 63 Ca 0.01 -0.37 -0.14 0.00 -0.22 0.00 0.00 54.13 53.41 1k6y s LEU 63 Cb -0.13 -1.50 0.00 0.00 0.50 0.00 0.00 46.19 45.07 1k6y s LEU 63 CO 0.02 0.24 0.47 -0.62 -1.32 0.00 0.00 176.35 175.15 1k6y s ASP 64 N -0.14 -0.12 0.08 3.68 3.68 0.05 -4.49 116.67 119.41 1k6y s ASP 64 Ca -0.03 -0.80 0.09 0.00 2.13 0.00 0.00 52.55 53.95 1k6y s ASP 64 Cb -0.14 0.57 -0.03 0.00 -1.45 0.00 0.00 42.92 41.87 1k6y s ASP 64 CO 0.04 -1.09 -0.25 0.00 0.13 0.00 0.00 175.17 173.99 1k6y s THR 66 N -0.91 0.13 0.08 0.00 -1.32 0.25 -4.96 115.64 108.91 1k6y s THR 66 Ca 0.11 -1.54 0.08 0.00 -1.21 0.00 0.00 61.69 59.14 1k6y s THR 66 Cb -0.10 -1.65 -0.03 0.00 -1.51 0.00 0.00 72.50 69.21 1k6y s THR 66 CO 0.03 -0.61 -0.22 -1.00 -2.21 0.00 0.00 174.62 170.61 1k6y s HIS 67 N -3.94 1.93 -0.24 9.09 3.76 -1.26 -0.14 115.29 124.49 1k6y s HIS 67 Ca 0.12 -0.39 -0.16 0.00 -0.15 0.00 0.00 55.06 54.48 1k6y s HIS 67 Cb 0.06 -1.10 0.07 0.00 1.11 0.00 0.00 32.58 32.71 1k6y s HIS 67 CO -0.05 0.17 0.60 -1.17 -0.85 0.00 0.00 174.74 173.44 1k6y s LEU 68 N -1.57 -0.58 -1.29 0.89 2.96 -0.93 -4.91 118.68 113.25 1k6y s LEU 68 Ca 0.09 1.29 -0.04 0.00 -0.22 0.00 0.00 54.13 55.25 1k6y s LEU 68 Cb -0.10 2.06 0.03 0.00 0.50 0.00 0.00 46.19 48.69 1k6y s LEU 68 CO 0.03 -0.22 0.30 -0.62 -1.32 0.00 0.00 176.35 174.52 1k6y n GLU 69 N 3.88 -3.16 -1.10 1.98 1.02 -1.26 -0.52 120.64 121.49 1k6y n GLU 69 Ca -0.19 0.64 -0.03 0.00 -0.02 0.00 0.00 57.16 57.56 1k6y n GLU 69 Cb 0.57 -5.34 -0.01 0.00 -0.02 0.00 0.00 31.44 26.64 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 0.62 3.56 0.62 0.00 -1.26 -5.02 105.19 102.61 1k6y n GLY 70 Ca -0.10 -0.37 -0.25 0.00 0.00 0.00 0.00 46.02 45.30 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 -1.61 2.01 -0.18 1.61 1.02 0.33 -5.11 119.74 117.81 1k6y s LYS 71 Ca 0.00 -1.47 -0.15 0.00 0.02 0.00 0.00 55.97 54.38 1k6y s LYS 71 Cb 0.00 -2.04 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 1k6y s LYS 71 CO 0.00 0.38 0.33 0.08 -0.92 0.00 0.00 175.35 175.22 1k6y s VAL 72 N -2.13 5.27 -0.24 3.17 1.01 -1.26 -2.18 120.40 124.04 1k6y s VAL 72 Ca 0.28 0.60 -0.01 0.00 0.00 0.00 0.00 61.98 62.85 1k6y s VAL 72 Cb -0.07 -3.67 0.02 0.00 0.00 0.00 0.00 36.38 32.67 1k6y s VAL 72 CO 0.16 0.33 -0.08 -0.63 0.00 0.00 0.00 175.10 174.89 1k6y s ILE 73 N 0.83 2.78 -0.24 2.22 1.01 0.80 -1.25 121.20 127.34 1k6y s ILE 73 Ca 0.17 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.64 1k6y s ILE 73 Cb -0.14 -2.39 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1k6y s ILE 73 CO 0.06 0.25 0.52 -0.22 0.00 0.00 0.00 174.94 175.55 1k6y s LEU 74 N 1.32 4.09 -0.10 2.97 2.96 -0.19 -0.58 118.68 129.14 1k6y s LEU 74 Ca 0.01 0.59 0.02 0.00 -0.22 0.00 0.00 54.13 54.52 1k6y s LEU 74 Cb -0.16 -2.69 -0.01 0.00 0.50 0.00 0.00 46.19 43.82 1k6y s LEU 74 CO -0.05 -0.26 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.87 1k6y s VAL 75 N 2.09 2.84 -0.09 1.68 1.01 0.14 -1.45 120.40 126.62 1k6y s VAL 75 Ca 0.23 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.49 1k6y s VAL 75 Cb -0.16 -2.15 -0.01 0.00 0.00 0.00 0.00 36.38 34.06 1k6y s VAL 75 CO 0.09 0.55 -0.22 0.00 0.00 0.00 0.00 175.10 175.52 1k6y s ALA 76 N 0.09 2.28 -0.10 5.51 0.00 0.11 -0.77 121.76 128.88 1k6y s ALA 76 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 50.93 1k6y s ALA 76 Cb -0.15 -0.84 0.01 0.00 0.00 0.00 0.00 23.12 22.14 1k6y s ALA 76 CO 0.05 0.35 -0.18 0.08 0.00 0.00 0.00 175.76 176.06 1k6y s VAL 77 N 0.08 1.66 -0.81 0.00 1.01 0.19 -1.65 120.40 120.88 1k6y s VAL 77 Ca -0.10 -0.77 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1k6y s VAL 77 Cb -0.16 -1.47 0.05 0.00 0.00 0.00 0.00 36.38 34.81 1k6y s VAL 77 CO 0.06 0.47 1.24 -2.28 0.00 0.00 0.00 175.10 174.59 1k6y s HIS 78 N 0.63 2.52 0.27 5.22 2.46 -0.30 -1.28 115.29 124.81 1k6y s HIS 78 Ca -0.14 -0.50 -0.06 0.00 0.47 0.00 0.00 55.06 54.83 1k6y s HIS 78 Cb -0.16 -4.54 0.50 0.00 -0.13 0.00 0.00 32.58 28.25 1k6y s HIS 78 CO 0.04 -1.89 1.58 0.28 -2.47 0.00 0.00 174.74 172.29 1k6y h VAL 79 N 6.19 0.11 -0.39 0.89 2.07 -1.83 0.23 116.25 123.52 1k6y h VAL 79 Ca -0.11 -0.01 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1k6y h VAL 79 Cb 1.04 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1k6y h VAL 79 CO 1.28 0.00 -0.06 0.00 0.02 0.00 0.00 177.57 178.81 1k6y h ALA 80 N 1.90 1.18 0.00 1.67 0.00 -1.84 -3.32 119.26 118.85 1k6y h ALA 80 Ca 0.47 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.75 1k6y h ALA 80 Cb 0.82 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.37 1k6y h ALA 80 CO -0.89 0.53 -2.41 -1.13 0.00 0.00 0.00 179.25 175.35 1k6y n SER 81 N -4.21 0.35 0.00 0.00 3.41 -0.80 -4.99 113.62 107.38 1k6y n SER 81 Ca 0.02 -0.02 0.00 0.00 -0.26 0.00 0.00 58.87 58.60 1k6y n SER 81 Cb 0.31 0.75 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 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 1.84 0.61 3.71 5.00 0.00 0.73 -4.74 105.19 112.34 1k6y n GLY 82 Ca -0.35 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1k6y n GLY 82 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1k6y n TYR 83 N -2.00 1.95 -4.28 1.61 9.36 -1.25 -4.75 117.16 117.81 1k6y n TYR 83 Ca 0.00 0.44 -0.15 0.00 3.32 0.00 0.00 57.90 61.50 1k6y n TYR 83 Cb 0.00 -2.31 -0.10 0.00 -0.63 0.00 0.00 39.34 36.30 1k6y n TYR 83 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 1k6y s ILE 84 N -1.33 1.30 -0.14 2.97 1.01 -1.26 -1.15 121.20 122.60 1k6y s ILE 84 Ca 0.73 -2.10 -0.11 0.00 0.00 0.00 0.00 60.65 59.18 1k6y s ILE 84 Cb -0.42 -1.92 0.04 0.00 0.01 0.00 0.00 42.46 40.17 1k6y s ILE 84 CO 0.48 -0.69 0.37 -0.70 0.00 0.00 0.00 174.94 174.40 1k6y s GLU 85 N -3.73 0.39 0.22 2.79 2.12 -0.66 -4.94 118.70 114.89 1k6y s GLU 85 Ca 0.19 0.61 -0.16 0.00 0.36 0.00 0.00 54.97 55.96 1k6y s GLU 85 Cb 0.02 0.09 0.01 0.00 0.26 0.00 0.00 34.13 34.51 1k6y s GLU 85 CO 0.02 -0.10 0.52 0.00 -0.54 0.00 0.00 175.26 175.17 1k6y s ALA 86 N 0.74 -0.71 -0.17 6.30 0.00 -1.26 0.06 121.76 126.72 1k6y s ALA 86 Ca -0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.15 1k6y s ALA 86 Cb -0.06 0.91 0.13 0.00 0.00 0.00 0.00 23.12 24.11 1k6y s ALA 86 CO -0.05 -0.84 1.00 -2.00 0.00 0.00 0.00 175.76 173.86 1k6y s GLU 87 N -3.93 0.59 -0.29 0.00 2.12 -0.53 -4.89 118.70 111.78 1k6y s GLU 87 Ca 0.14 0.19 -0.29 0.00 0.36 0.00 0.00 54.97 55.37 1k6y s GLU 87 Cb -0.01 0.28 0.01 0.00 0.26 0.00 0.00 34.13 34.67 1k6y s GLU 87 CO 0.02 -0.17 1.13 0.08 -0.54 0.00 0.00 175.26 175.78 1k6y s VAL 88 N -0.96 4.44 0.03 3.70 1.01 -1.26 -1.02 120.40 126.35 1k6y s VAL 88 Ca -0.01 1.68 0.03 0.00 0.00 0.00 0.00 61.98 63.68 1k6y s VAL 88 Cb -0.01 -4.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.03 1k6y s VAL 88 CO 0.01 -0.40 -0.01 0.27 0.00 0.00 0.00 175.10 174.97 1k6y s ILE 89 N 3.70 4.00 0.20 2.22 -4.36 -0.38 -4.99 121.20 121.59 1k6y s ILE 89 Ca 0.48 -0.78 -0.15 0.00 -0.26 0.00 0.00 60.65 59.95 1k6y s ILE 89 Cb -0.14 -2.82 0.20 0.00 1.25 0.00 0.00 42.46 40.94 1k6y s ILE 89 CO 0.15 0.29 1.64 -0.65 0.24 0.00 0.00 174.94 176.61 1k6y h PRO 90 N 4.05 -0.00 -3.24 0.37 0.11 -1.96 -3.36 132.00 127.97 1k6y h PRO 90 Ca -0.48 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 1k6y h PRO 90 Cb 1.17 0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.10 1k6y h PRO 90 CO 0.57 -0.00 -0.28 0.00 -0.21 0.00 0.00 178.00 178.08 1k6y s ALA 91 N -6.23 -0.68 -1.21 -0.75 0.00 -1.26 -4.86 121.76 106.78 1k6y s ALA 91 Ca -0.14 0.08 -0.09 0.00 0.00 0.00 0.00 51.96 51.81 1k6y s ALA 91 Cb 0.18 0.22 -0.07 0.00 0.00 0.00 0.00 23.12 23.46 1k6y s ALA 91 CO 0.73 -0.35 2.42 -1.91 0.00 0.00 0.00 175.76 176.65 1k6y n GLU 92 N 0.86 2.70 -4.67 0.00 2.13 -1.26 -4.75 120.64 115.65 1k6y n GLU 92 Ca -0.20 -1.83 -0.31 0.00 0.66 0.00 0.00 57.16 55.48 1k6y n GLU 92 Cb 0.58 -2.66 -0.12 0.00 0.27 0.00 0.00 31.44 29.50 1k6y n GLU 92 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1k6y s THR 93 N 3.04 3.01 0.44 6.31 -4.23 -1.26 -4.48 115.64 118.48 1k6y s THR 93 Ca 0.53 -1.01 0.26 0.00 -1.18 0.00 0.00 61.69 60.28 1k6y s THR 93 Cb 0.14 -2.26 0.45 0.00 1.34 0.00 0.00 72.50 72.17 1k6y s THR 93 CO -0.04 0.40 1.72 1.23 -0.54 0.00 0.00 174.62 177.39 1k6y h GLY 94 N 4.70 1.05 0.87 3.99 0.00 -1.86 0.44 103.07 112.25 1k6y h GLY 94 Ca -0.47 -0.14 0.02 0.00 0.00 0.00 0.00 47.33 46.73 1k6y h GLY 94 CO 0.49 -0.20 0.03 -1.61 0.00 0.00 0.00 176.54 175.25 1k6y h GLN 95 N 0.22 0.09 -0.34 4.80 4.15 -1.93 0.93 115.11 123.05 1k6y h GLN 95 Ca 0.68 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 60.00 1k6y h GLN 95 Cb 2.03 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 29.69 1k6y h GLN 95 CO -0.29 0.06 -0.16 0.93 -1.93 0.00 0.00 178.83 177.44 1k6y h GLU 96 N 0.09 0.60 -0.42 1.69 4.39 -1.23 -2.64 114.58 117.07 1k6y h GLU 96 Ca 0.06 -0.20 -0.06 0.00 0.34 0.00 0.00 59.36 59.50 1k6y h GLU 96 Cb 0.05 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 1k6y h GLU 96 CO -0.07 0.74 0.03 1.15 -1.16 0.00 0.00 179.01 179.69 1k6y h THR 97 N 0.55 1.25 -0.49 1.13 2.02 -0.95 -2.30 112.91 114.13 1k6y h THR 97 Ca 0.09 -0.97 -0.09 0.00 0.77 0.00 0.00 66.41 66.21 1k6y h THR 97 Cb 0.58 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1k6y h THR 97 CO 0.04 0.33 -0.06 0.00 0.37 0.00 0.00 175.52 176.20 1k6y h ALA 98 N 0.91 0.97 -0.55 6.16 0.00 -0.71 -1.49 119.26 124.54 1k6y h ALA 98 Ca 0.12 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 1k6y h ALA 98 Cb 0.44 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1k6y h ALA 98 CO 0.02 0.62 -0.09 -0.92 0.00 0.00 0.00 179.25 178.87 1k6y h TYR 99 N 0.79 1.14 -0.41 0.00 3.20 -1.40 -1.25 116.97 119.04 1k6y h TYR 99 Ca 0.14 -0.23 -0.01 0.00 3.14 0.00 0.00 58.73 61.77 1k6y h TYR 99 Cb 0.56 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.53 1k6y h TYR 99 CO 0.03 1.05 0.22 0.35 -1.64 0.00 0.00 178.16 178.17 1k6y h PHE 100 N 0.92 0.56 -0.34 -3.82 3.57 -1.20 -2.21 116.94 114.42 1k6y h PHE 100 Ca 0.15 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.63 1k6y h PHE 100 Cb 0.66 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.20 1k6y h PHE 100 CO 0.04 0.43 0.22 -0.07 -2.23 0.00 0.00 178.31 176.71 1k6y h LEU 101 N 0.52 0.40 -0.57 0.59 3.38 -1.01 -1.33 115.31 117.29 1k6y h LEU 101 Ca 0.14 -0.02 0.08 0.00 0.09 0.00 0.00 57.88 58.17 1k6y h LEU 101 Cb 0.06 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.65 1k6y h LEU 101 CO -0.02 0.30 0.22 -0.07 0.09 0.00 0.00 178.44 178.96 1k6y h LEU 102 N 0.46 0.24 -0.60 1.67 3.38 -1.04 0.28 115.31 119.70 1k6y h LEU 102 Ca 0.12 0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.13 1k6y h LEU 102 Cb -0.03 0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 1k6y h LEU 102 CO -0.03 0.15 0.27 0.11 0.09 0.00 0.00 178.44 179.04 1k6y h LYS 103 N 0.41 0.88 0.10 1.13 1.57 -1.06 -2.66 116.57 116.95 1k6y h LYS 103 Ca 0.28 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 1k6y h LYS 103 Cb 0.31 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1k6y h LYS 103 CO -0.27 0.73 -0.05 1.25 -0.57 0.00 0.00 179.45 180.54 1k6y h LEU 104 N 0.83 -0.12 -1.52 2.94 5.85 -0.27 -3.16 115.31 119.85 1k6y h LEU 104 Ca 0.20 -0.15 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1k6y h LEU 104 Cb 0.15 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 1k6y h LEU 104 CO -0.02 0.08 0.44 0.00 -0.34 0.00 0.00 178.44 178.60 1k6y h ALA 105 N 0.56 1.89 -0.07 1.25 0.00 -0.42 0.46 119.26 122.94 1k6y h ALA 105 Ca -0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1k6y h ALA 105 Cb 0.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1k6y h ALA 105 CO 0.02 -0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.66 1k6y n GLY 106 N -1.49 -0.40 0.21 0.00 0.00 -1.01 -3.73 105.19 98.77 1k6y n GLY 106 Ca 0.11 -0.27 -0.11 0.00 0.00 0.00 0.00 46.02 45.74 1k6y n GLY 106 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1k6y n ARG 107 N -0.28 0.33 -4.31 1.61 0.63 -0.02 -5.04 116.66 109.57 1k6y n ARG 107 Ca 0.16 0.10 -0.21 0.00 -0.92 0.00 0.00 57.85 56.98 1k6y n ARG 107 Cb 0.20 -1.20 -0.11 0.00 0.45 0.00 0.00 32.46 31.80 1k6y n ARG 107 CO 0.00 0.00 0.00 -1.58 -2.51 0.00 0.00 177.63 173.54 1k6y s TRP 108 N -2.27 1.72 -1.16 -0.14 0.52 -0.18 -5.05 118.94 112.38 1k6y s TRP 108 Ca -0.19 -0.50 -0.19 0.00 0.02 0.00 0.00 56.10 55.24 1k6y s TRP 108 Cb 0.06 -0.86 -0.04 0.00 -1.15 0.00 0.00 33.47 31.48 1k6y s TRP 108 CO 0.30 0.29 1.99 -0.35 0.02 0.00 0.00 176.95 179.19 1k6y n PRO 109 N 0.29 2.26 -2.44 4.98 -0.04 -1.26 -4.46 135.00 134.32 1k6y n PRO 109 Ca -0.13 -2.46 -0.43 0.00 -0.04 0.00 0.00 63.50 60.44 1k6y n PRO 109 Cb 0.57 -3.29 -0.02 0.00 -0.04 0.00 0.00 33.50 30.73 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 5.36 4.24 -0.13 0.52 1.01 -1.26 -4.56 120.40 125.58 1k6y s VAL 110 Ca 0.55 1.45 0.05 0.00 0.00 0.00 0.00 61.98 64.03 1k6y s VAL 110 Cb 0.10 -4.10 -0.11 0.00 0.00 0.00 0.00 36.38 32.26 1k6y s VAL 110 CO 0.05 -0.31 -0.06 0.29 0.00 0.00 0.00 175.10 175.07 1k6y n LYS 111 N 6.95 1.10 -3.87 2.72 4.76 -0.69 -4.62 118.16 124.52 1k6y n LYS 111 Ca 0.14 0.05 -0.14 0.00 -2.87 0.00 0.00 58.31 55.48 1k6y n LYS 111 Cb 0.46 -1.29 -0.15 0.00 -1.84 0.00 0.00 35.03 32.21 1k6y n LYS 111 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1k6y s THR 112 N -2.28 0.05 -0.16 -0.18 2.01 -0.70 -0.44 115.64 113.94 1k6y s THR 112 Ca -0.14 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.95 1k6y s THR 112 Cb 0.04 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.44 1k6y s THR 112 CO 0.38 0.07 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.53 1k6y s VAL 113 N 0.61 2.53 -0.16 3.82 1.01 -0.49 -0.72 120.40 127.00 1k6y s VAL 113 Ca -0.05 -0.81 -0.08 0.00 0.00 0.00 0.00 61.98 61.04 1k6y s VAL 113 Cb -0.08 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 1k6y s VAL 113 CO -0.02 0.52 0.13 -1.00 0.00 0.00 0.00 175.10 174.73 1k6y s HIS 114 N 0.94 3.49 0.31 5.22 3.76 0.24 -0.51 115.29 128.74 1k6y s HIS 114 Ca -0.03 0.41 -0.15 0.00 -0.15 0.00 0.00 55.06 55.13 1k6y s HIS 114 Cb -0.15 -2.04 0.02 0.00 1.11 0.00 0.00 32.58 31.52 1k6y s HIS 114 CO -0.03 0.50 0.66 -0.08 -0.85 0.00 0.00 174.74 174.95 1k6y s THR 115 N -0.33 0.00 0.12 1.30 -1.32 -1.21 -0.46 115.64 113.73 1k6y s THR 115 Ca 0.11 -1.16 -0.01 0.00 -1.21 0.00 0.00 61.69 59.42 1k6y s THR 115 Cb -0.12 -2.40 0.02 0.00 -1.51 0.00 0.00 72.50 68.50 1k6y s THR 115 CO 0.01 0.00 0.16 -0.90 -2.21 0.00 0.00 174.62 171.68 1k6y n ASP 116 N -0.86 0.10 -0.18 8.08 5.68 -1.26 -4.49 116.55 123.62 1k6y n ASP 116 Ca -0.04 -1.11 0.02 0.00 -0.50 0.00 0.00 54.79 53.15 1k6y n ASP 116 Cb 0.60 -0.11 0.06 0.00 -1.14 0.00 0.00 41.12 40.52 1k6y n ASP 116 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1k6y n ASN 117 N -3.05 0.53 -3.77 -1.12 0.23 -1.26 -4.77 115.26 102.06 1k6y n ASN 117 Ca 0.02 -1.99 -0.51 0.00 -0.53 0.00 0.00 54.58 51.57 1k6y n ASN 117 Cb 0.08 -0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 37.64 1k6y n ASN 117 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1k6y n GLY 118 N 0.66 -0.08 0.34 4.83 0.00 -1.26 -4.58 105.19 105.11 1k6y n GLY 118 Ca 0.04 0.70 0.11 0.00 0.00 0.00 0.00 46.02 46.87 1k6y n GLY 118 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 1k6y h SER 119 N 3.11 -0.63 1.23 1.61 0.87 -1.94 1.02 113.55 118.82 1k6y h SER 119 Ca -0.40 0.28 0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1k6y h SER 119 Cb 1.15 0.52 0.00 0.00 -0.44 0.00 0.00 62.40 63.64 1k6y h SER 119 CO 0.64 -0.34 0.00 -0.55 -0.53 0.00 0.00 176.83 176.05 1k6y h ASN 120 N 0.01 0.00 0.91 6.23 7.08 -1.87 -2.56 115.58 125.38 1k6y h ASN 120 Ca 0.54 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.76 1k6y h ASN 120 Cb 1.02 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.26 1k6y h ASN 120 CO -0.94 0.00 -0.66 -0.26 -2.08 0.00 0.00 177.43 173.48 1k6y h PHE 121 N 0.00 0.00 -0.05 4.14 0.05 0.75 -3.33 116.94 118.50 1k6y h PHE 121 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1k6y h PHE 121 Cb 0.61 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.56 1k6y h PHE 121 CO 0.00 0.00 0.00 0.25 -0.18 0.00 0.00 178.31 178.38 1k6y n THR 122 N -2.21 0.14 -1.26 -1.55 -2.24 -0.62 -4.87 114.28 101.66 1k6y n THR 122 Ca 0.03 -0.57 -0.35 0.00 -2.27 0.00 0.00 64.05 60.89 1k6y n THR 122 Cb 0.46 1.10 0.10 0.00 -2.10 0.00 0.00 70.33 69.88 1k6y n THR 122 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1k6y n SER 123 N 0.49 0.49 -0.23 3.42 3.41 -0.98 -4.86 113.62 115.37 1k6y n SER 123 Ca 0.06 0.63 -0.04 0.00 -0.26 0.00 0.00 58.87 59.25 1k6y n SER 123 Cb 0.25 -1.42 0.12 0.00 -0.26 0.00 0.00 64.21 62.90 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 -0.48 1.24 -0.22 6.66 1.35 -1.94 -2.52 112.91 117.00 1k6y h THR 124 Ca -0.47 -0.80 0.06 0.00 -0.55 0.00 0.00 66.41 64.65 1k6y h THR 124 Cb 1.32 0.43 -0.01 0.00 -1.73 0.00 0.00 68.15 68.17 1k6y h THR 124 CO 0.46 0.32 0.19 0.71 -0.25 0.00 0.00 175.52 176.94 1k6y h THR 125 N 1.02 0.67 0.11 6.82 1.35 -1.90 0.84 112.91 121.82 1k6y h THR 125 Ca 0.23 0.00 -0.18 0.00 -0.55 0.00 0.00 66.41 65.92 1k6y h THR 125 Cb 0.23 0.86 0.02 0.00 -1.73 0.00 0.00 68.15 67.53 1k6y h THR 125 CO -0.02 0.00 -0.76 0.58 -0.25 0.00 0.00 175.52 175.08 1k6y h VAL 126 N 0.00 1.51 -1.00 6.82 2.07 -1.68 -2.67 116.25 121.30 1k6y h VAL 126 Ca 0.10 -2.45 0.02 0.00 0.82 0.00 0.00 66.70 65.19 1k6y h VAL 126 Cb 0.47 3.10 -0.05 0.00 -1.52 0.00 0.00 31.29 33.29 1k6y h VAL 126 CO -0.00 0.70 0.66 0.11 0.02 0.00 0.00 177.57 179.05 1k6y h LYS 127 N -0.34 1.28 0.05 1.57 1.57 -1.13 0.36 116.57 119.93 1k6y h LYS 127 Ca -0.13 -0.08 0.02 0.00 -1.87 0.00 0.00 60.65 58.60 1k6y h LYS 127 Cb 1.57 -0.29 -0.03 0.00 0.08 0.00 0.00 32.23 33.56 1k6y h LYS 127 CO 0.14 0.84 -0.22 0.00 -0.57 0.00 0.00 179.45 179.65 1k6y h ALA 128 N 1.39 -0.33 -0.33 3.86 0.00 -0.92 0.82 119.26 123.77 1k6y h ALA 128 Ca 0.38 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1k6y h ALA 128 Cb -0.09 0.37 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 1k6y h ALA 128 CO -0.10 -0.73 0.17 0.00 0.00 0.00 0.00 179.25 178.59 1k6y h ALA 129 N 0.45 0.40 -0.43 0.00 0.00 -0.91 -0.26 119.26 118.51 1k6y h ALA 129 Ca 0.04 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1k6y h ALA 129 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 1k6y h ALA 129 CO -0.16 -0.21 0.28 0.00 0.00 0.00 0.00 179.25 179.16 1k6y h ASP 131 N 0.58 1.13 -0.42 0.00 3.32 0.11 0.22 116.42 121.36 1k6y h ASP 131 Ca 0.16 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 57.08 1k6y h ASP 131 Cb -0.06 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.19 1k6y h ASP 131 CO -0.04 0.85 -0.03 -0.25 -1.72 0.00 0.00 179.24 178.05 1k6y h TRP 132 N 1.31 0.85 -0.01 4.55 7.01 -0.46 -2.99 115.95 126.22 1k6y h TRP 132 Ca 0.35 -0.16 0.00 0.00 2.11 0.00 0.00 58.89 61.19 1k6y h TRP 132 Cb -0.09 -0.22 0.00 0.00 -2.10 0.00 0.00 29.16 26.75 1k6y h TRP 132 CO 0.00 0.85 -0.04 0.00 -2.79 0.00 0.00 178.44 176.47 1k6y n ALA 133 N -2.43 2.68 -2.67 2.65 0.00 -0.42 -4.92 120.51 115.41 1k6y n ALA 133 Ca -0.01 -0.29 -0.10 0.00 0.00 0.00 0.00 53.44 53.04 1k6y n ALA 133 Cb 0.32 -1.35 0.02 0.00 0.00 0.00 0.00 19.45 18.44 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 1.15 0.17 3.76 0.00 0.00 0.12 -5.02 105.19 105.37 1k6y n GLY 134 Ca 0.19 -0.36 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.87 5.07 -0.24 -0.61 1.01 0.54 -4.77 121.20 119.33 1k6y s ILE 135 Ca 0.16 0.05 -0.10 0.00 0.00 0.00 0.00 60.65 60.76 1k6y s ILE 135 Cb -0.07 -3.23 -0.05 0.00 0.01 0.00 0.00 42.46 39.13 1k6y s ILE 135 CO 0.19 0.56 0.15 -0.75 0.00 0.00 0.00 174.94 175.09 1k6y s LYS 136 N -0.50 4.00 0.31 2.79 2.20 0.42 -4.38 119.74 124.57 1k6y s LYS 136 Ca 0.11 -0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 55.17 1k6y s LYS 136 Cb -0.12 -3.52 -0.10 0.00 -1.51 0.00 0.00 37.83 32.59 1k6y s LYS 136 CO 0.02 0.01 0.89 -0.65 -0.36 0.00 0.00 175.35 175.25 1k6y s GLN 137 N 1.20 4.46 0.40 4.03 -0.21 -1.26 -1.40 119.66 126.88 1k6y s GLN 137 Ca 0.07 1.19 0.05 0.00 0.02 0.00 0.00 55.36 56.68 1k6y s GLN 137 Cb -0.14 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.08 1k6y s GLN 137 CO 0.05 0.28 0.18 -2.00 -2.12 0.00 0.00 175.29 171.69 1k6y s GLU 138 N -2.13 1.92 7.08 2.91 2.56 0.33 -4.90 118.70 126.47 1k6y s GLU 138 Ca 0.49 -2.17 0.00 0.00 0.00 0.00 0.00 54.97 53.30 1k6y s GLU 138 Cb -0.17 -0.32 0.00 0.00 2.00 0.00 0.00 34.13 35.63 1k6y s GLU 138 CO 0.22 -0.56 0.00 -3.47 -0.56 0.00 0.00 175.26 170.89 1k6y n ASP 139 N -1.46 0.00 0.00 -1.70 -0.08 -1.26 -3.36 116.55 108.69 1k6y n ASP 139 Ca -0.02 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.26 1k6y n ASP 139 Cb 0.64 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.10 1k6y n ASP 139 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1k6y n SER 153 N 3.35 0.00 0.20 1.67 2.88 -1.26 -4.60 113.62 115.86 1k6y n SER 153 Ca 0.00 0.00 0.08 0.00 -1.33 0.00 0.00 58.87 57.62 1k6y n SER 153 Cb 0.00 0.00 0.36 0.00 -0.75 0.00 0.00 64.21 63.82 1k6y n SER 153 CO 0.00 0.00 0.00 -0.03 -1.23 0.00 0.00 175.04 173.78 1k6y h MET 154 N 0.00 0.00 -0.72 -1.46 -1.53 -2.03 -2.63 114.93 106.57 1k6y h MET 154 Ca 0.00 0.00 -0.01 0.00 -3.44 0.00 0.00 59.70 56.25 1k6y h MET 154 Cb 0.00 0.00 -0.03 0.00 -0.55 0.00 0.00 31.60 31.02 1k6y h MET 154 CO 0.00 0.29 0.39 -0.91 0.14 0.00 0.00 176.91 176.82 1k6y h ASN 155 N 0.00 0.90 -0.43 1.39 -0.26 -2.00 -1.75 115.58 113.42 1k6y h ASN 155 Ca -0.00 -0.10 -0.07 0.00 -0.56 0.00 0.00 56.30 55.57 1k6y h ASN 155 Cb 0.88 -0.23 -0.02 0.00 -1.06 0.00 0.00 38.32 37.89 1k6y h ASN 155 CO 0.04 0.74 0.01 0.50 -1.06 0.00 0.00 177.43 177.66 1k6y h LYS 156 N 0.99 0.76 -0.65 0.81 3.64 -1.91 -1.41 116.57 118.79 1k6y h LYS 156 Ca 0.25 -0.24 -0.05 0.00 -1.27 0.00 0.00 60.65 59.35 1k6y h LYS 156 Cb 0.04 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1k6y h LYS 156 CO -0.04 0.82 0.22 1.49 -2.27 0.00 0.00 179.45 179.67 1k6y h GLU 157 N 0.60 1.00 -0.12 1.90 4.57 -1.35 -0.63 114.58 120.56 1k6y h GLU 157 Ca 0.12 -0.21 -0.01 0.00 -1.18 0.00 0.00 59.36 58.09 1k6y h GLU 157 Cb 0.47 -0.15 -0.01 0.00 -0.16 0.00 0.00 28.75 28.91 1k6y h GLU 157 CO 0.02 0.87 0.05 1.25 -1.18 0.00 0.00 179.01 180.01 1k6y h LEU 158 N 0.94 0.17 -0.67 1.64 5.85 -1.25 -1.11 115.31 120.87 1k6y h LEU 158 Ca 0.21 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.86 1k6y h LEU 158 Cb 0.27 -0.04 -0.07 0.00 0.37 0.00 0.00 40.66 41.19 1k6y h LEU 158 CO -0.01 0.29 0.32 0.11 -0.34 0.00 0.00 178.44 178.80 1k6y h LYS 159 N 0.04 0.54 -0.54 1.25 1.79 -1.01 0.15 116.57 118.79 1k6y h LYS 159 Ca 0.04 -0.03 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 1k6y h LYS 159 Cb 0.17 -0.12 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1k6y h LYS 159 CO -0.00 0.35 0.26 -0.22 -1.08 0.00 0.00 179.45 178.76 1k6y h LYS 160 N 0.55 0.77 -0.42 3.15 3.64 -0.78 -1.28 116.57 122.19 1k6y h LYS 160 Ca 0.33 -0.11 -0.11 0.00 -1.27 0.00 0.00 60.65 59.49 1k6y h LYS 160 Cb 0.35 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1k6y h LYS 160 CO -0.27 0.63 -0.17 0.82 -2.27 0.00 0.00 179.45 178.19 1k6y h ILE 161 N 0.72 1.28 -0.74 2.00 2.04 -0.56 -2.50 117.51 119.75 1k6y h ILE 161 Ca 0.18 -1.31 0.10 0.00 1.00 0.00 0.00 64.86 64.84 1k6y h ILE 161 Cb 0.11 1.22 -0.08 0.00 -0.74 0.00 0.00 36.82 37.34 1k6y h ILE 161 CO -0.02 0.44 0.36 0.40 0.00 0.00 0.00 178.15 179.33 1k6y h ILE 162 N 0.69 0.81 -0.48 -0.67 2.04 -0.80 -0.68 117.51 118.42 1k6y h ILE 162 Ca 0.10 -0.20 0.01 0.00 1.00 0.00 0.00 64.86 65.76 1k6y h ILE 162 Cb 0.73 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 1k6y h ILE 162 CO 0.06 0.11 0.32 1.23 0.00 0.00 0.00 178.15 179.86 1k6y h GLY 163 N 0.59 0.67 2.00 5.37 0.00 -0.80 0.65 103.07 111.54 1k6y h GLY 163 Ca 0.37 -0.25 0.00 0.00 0.00 0.00 0.00 47.33 47.46 1k6y h GLY 163 CO -0.29 0.24 0.00 1.46 0.00 0.00 0.00 176.54 177.94 1k6y h GLN 164 N 0.64 0.00 0.00 4.80 4.20 -0.83 -3.30 115.11 120.62 1k6y h GLN 164 Ca 0.18 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.89 1k6y h GLN 164 Cb -0.05 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.73 1k6y h GLN 164 CO -0.04 0.00 -0.41 0.28 -0.67 0.00 0.00 178.83 177.99 1k6y n VAL 165 N -2.95 0.00 -0.31 -0.54 0.31 -0.64 -4.81 118.33 109.40 1k6y n VAL 165 Ca 0.03 -0.32 0.08 0.00 -0.01 0.00 0.00 64.34 64.12 1k6y n VAL 165 Cb 0.44 0.95 0.18 0.00 -0.91 0.00 0.00 33.84 34.50 1k6y n VAL 165 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 1k6y h ARG 166 N 0.00 0.03 0.00 5.55 9.65 0.18 0.12 114.38 129.92 1k6y h ARG 166 Ca 0.00 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 1k6y h ARG 166 Cb 0.19 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 28.76 1k6y h ARG 166 CO 0.00 0.02 0.00 -0.40 2.80 0.00 0.00 179.97 182.39 1k6y n ASP 167 N -5.48 0.00 -0.15 -3.80 5.75 -1.26 -1.90 116.55 109.71 1k6y n ASP 167 Ca 0.17 -0.40 0.11 0.00 -0.01 0.00 0.00 54.79 54.65 1k6y n ASP 167 Cb 0.55 -0.00 0.07 0.00 -1.03 0.00 0.00 41.12 40.71 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 -1.00 0.41 -4.40 0.11 6.02 0.43 -4.95 117.38 114.00 1k6y n GLN 168 Ca 0.10 -0.31 -0.20 0.00 -0.01 0.00 0.00 57.00 56.58 1k6y n GLN 168 Cb 0.05 -1.49 -0.10 0.00 1.02 0.00 0.00 30.24 29.71 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 -2.80 2.13 0.00 -1.58 0.00 -0.80 -5.04 121.76 113.68 1k6y s ALA 169 Ca 0.14 -1.90 0.00 0.00 0.00 0.00 0.00 51.96 50.20 1k6y s ALA 169 Cb 0.17 0.46 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1k6y s ALA 169 CO 0.71 -0.22 0.00 0.39 0.00 0.00 0.00 175.76 176.64 1k6y n GLU 170 N -0.55 0.00 -2.05 0.00 -0.58 -1.26 -4.97 120.64 111.23 1k6y n GLU 170 Ca -0.04 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.33 1k6y n GLU 170 Cb 0.65 -0.15 0.02 0.00 -0.57 0.00 0.00 31.44 31.38 1k6y n GLU 170 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1k6y s HIS 171 N -0.31 2.57 0.27 -0.32 3.76 -1.26 -4.90 115.29 115.10 1k6y s HIS 171 Ca 0.00 1.48 -0.03 0.00 -0.15 0.00 0.00 55.06 56.36 1k6y s HIS 171 Cb 0.00 -3.54 0.38 0.00 1.11 0.00 0.00 32.58 30.53 1k6y s HIS 171 CO 0.00 -2.12 1.90 1.25 -0.85 0.00 0.00 174.74 174.92 1k6y h LEU 172 N 1.60 1.05 -0.97 0.89 5.85 -1.98 -2.85 115.31 118.90 1k6y h LEU 172 Ca -0.50 -0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.30 1k6y h LEU 172 Cb 1.28 -0.23 -0.12 0.00 0.37 0.00 0.00 40.66 41.96 1k6y h LEU 172 CO 0.58 0.70 -0.57 0.29 -0.34 0.00 0.00 178.44 179.10 1k6y n LYS 173 N -4.46 -0.43 -0.37 1.25 5.02 -1.26 -0.70 118.16 117.22 1k6y n LYS 173 Ca 0.14 1.46 -0.03 0.00 -2.02 0.00 0.00 58.31 57.87 1k6y n LYS 173 Cb 0.13 -2.15 0.10 0.00 -0.02 0.00 0.00 35.03 33.09 1k6y n LYS 173 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1k6y h THR 174 N 0.00 1.26 -0.75 -0.18 2.02 -1.89 -1.96 112.91 111.41 1k6y h THR 174 Ca 0.15 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 1k6y h THR 174 Cb 0.40 -0.16 -0.03 0.00 -1.74 0.00 0.00 68.15 66.62 1k6y h THR 174 CO -0.91 0.26 0.28 0.00 0.37 0.00 0.00 175.52 175.52 1k6y h ALA 175 N 1.34 1.07 -0.09 6.16 0.00 -0.99 -0.03 119.26 126.71 1k6y h ALA 175 Ca 0.35 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1k6y h ALA 175 Cb -0.12 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.37 1k6y h ALA 175 CO -0.07 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.17 1k6y h VAL 176 N 1.10 1.03 -0.57 0.00 2.07 -0.27 -0.13 116.25 119.49 1k6y h VAL 176 Ca 0.25 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 67.66 1k6y h VAL 176 Cb 0.24 0.89 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1k6y h VAL 176 CO -0.02 0.02 0.10 1.56 0.02 0.00 0.00 177.57 179.25 1k6y h GLN 177 N 0.12 0.90 -0.66 1.57 1.08 -1.12 -0.30 115.11 116.71 1k6y h GLN 177 Ca 0.03 -0.21 -0.02 0.00 -1.45 0.00 0.00 58.65 57.00 1k6y h GLN 177 Cb -0.01 -0.12 -0.03 0.00 -0.05 0.00 0.00 27.48 27.27 1k6y h GLN 177 CO -0.01 0.83 0.35 0.52 -0.95 0.00 0.00 178.83 179.58 1k6y h MET 178 N 0.86 0.93 -0.66 1.46 2.86 -0.60 0.52 114.93 120.30 1k6y h MET 178 Ca 0.18 -0.12 -0.05 0.00 -2.06 0.00 0.00 59.70 57.65 1k6y h MET 178 Cb 0.37 -0.18 -0.03 0.00 0.06 0.00 0.00 31.60 31.82 1k6y h MET 178 CO 0.01 0.72 0.20 0.00 1.06 0.00 0.00 176.91 178.90 1k6y h ALA 179 N 1.17 0.86 0.09 6.32 0.00 -0.46 0.92 119.26 128.16 1k6y h ALA 179 Ca 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 1k6y h ALA 179 Cb 0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1k6y h ALA 179 CO -0.03 0.54 -0.05 0.28 0.00 0.00 0.00 179.25 179.99 1k6y h VAL 180 N 0.96 0.90 -0.30 0.00 2.07 -0.64 0.34 116.25 119.58 1k6y h VAL 180 Ca 0.21 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.80 1k6y h VAL 180 Cb 0.30 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.90 1k6y h VAL 180 CO -0.01 0.00 -0.14 0.15 0.02 0.00 0.00 177.57 177.60 1k6y h PHE 181 N -0.13 -0.33 0.17 1.57 3.04 -0.60 0.23 116.94 120.90 1k6y h PHE 181 Ca -0.01 0.03 0.01 0.00 3.98 0.00 0.00 57.97 61.99 1k6y h PHE 181 Cb 0.11 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 1k6y h PHE 181 CO -0.08 -0.21 -0.35 0.82 -2.02 0.00 0.00 178.31 176.47 1k6y h ILE 182 N -0.09 0.27 -0.76 1.41 1.08 -0.31 0.56 117.51 119.66 1k6y h ILE 182 Ca 0.15 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.70 1k6y h ILE 182 Cb 0.32 0.27 -0.06 0.00 -3.07 0.00 0.00 36.82 34.28 1k6y h ILE 182 CO -0.36 0.00 0.43 -0.74 -0.69 0.00 0.00 178.15 176.79 1k6y h HIS 183 N -0.61 0.78 0.01 1.37 2.76 0.30 0.69 115.15 120.45 1k6y h HIS 183 Ca 0.02 0.03 -0.20 0.00 -2.20 0.00 0.00 60.37 58.02 1k6y h HIS 183 Cb 0.62 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 29.32 1k6y h HIS 183 CO -0.29 0.35 -0.93 -0.91 -1.30 0.00 0.00 177.93 174.86 1k6y h ASN 184 N 0.76 0.09 0.00 3.26 2.35 -0.25 -3.39 115.58 118.39 1k6y h ASN 184 Ca 0.35 -0.08 0.00 0.00 -0.55 0.00 0.00 56.30 56.02 1k6y h ASN 184 Cb 0.27 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 38.61 1k6y h ASN 184 CO -0.21 0.97 -0.45 0.29 -1.65 0.00 0.00 177.43 176.37 1k6y n LYS 185 N -3.51 3.85 -0.16 0.81 5.02 0.16 -0.32 118.16 124.01 1k6y n LYS 185 Ca -0.02 -0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.35 1k6y n LYS 185 Cb 0.86 -0.73 0.15 0.00 -0.02 0.00 0.00 35.03 35.30 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 -1.23 2.03 -3.76 1.97 4.76 0.22 -4.83 118.16 117.32 1k6y n LYS 186 Ca 0.00 -2.48 -0.29 0.00 -2.87 0.00 0.00 58.31 52.67 1k6y n LYS 186 Cb 0.00 -1.51 -0.13 0.00 -1.84 0.00 0.00 35.03 31.55 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 1.57 0.31 1.97 1.81 -1.23 -4.98 118.95 115.89 1k6y s ARG 187 Ca 0.30 -2.35 -0.03 0.00 -1.72 0.00 0.00 55.73 51.94 1k6y s ARG 187 Cb 0.25 -2.61 -0.04 0.00 -0.45 0.00 0.00 34.95 32.10 1k6y s ARG 187 CO 0.05 -1.19 0.56 0.15 -0.68 0.00 0.00 175.30 174.18 1k6y s LYS 188 N -0.08 3.57 -0.01 3.54 1.02 -1.26 -4.35 119.74 122.17 1k6y s LYS 188 Ca 0.20 -0.11 -0.06 0.00 0.02 0.00 0.00 55.97 56.02 1k6y s LYS 188 Cb -0.19 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.49 1k6y s LYS 188 CO -0.04 0.18 0.27 0.41 -0.92 0.00 0.00 175.35 175.24 1k6y n GLY 189 N -1.28 0.49 0.39 -3.33 0.00 -0.84 -4.92 105.19 95.70 1k6y n GLY 189 Ca -0.03 -0.87 0.05 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.20 -1.87 0.24 -0.02 0.00 -1.26 -1.70 105.19 100.38 1k6y n GLY 190 Ca 0.01 -1.41 0.01 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.37 0.43 -0.01 -0.61 2.04 -1.99 -0.07 117.51 116.94 1k6y h ILE 191 Ca -0.01 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.82 1k6y h ILE 191 Cb 0.36 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 36.78 1k6y h ILE 191 CO 0.01 0.02 -0.09 0.61 0.00 0.00 0.00 178.15 178.69 1k6y n GLY 192 N -1.39 -0.71 3.53 5.37 0.00 -1.26 -4.92 105.19 105.80 1k6y n GLY 192 Ca 0.10 -0.31 -0.23 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 -0.49 3.92 -0.02 0.00 -0.04 -4.98 105.19 104.80 1k6y n GLY 193 Ca 0.16 0.22 -0.26 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.31 3.29 0.26 1.61 1.51 -0.69 -4.29 117.35 115.73 1k6y s TYR 194 Ca 0.54 0.56 0.02 0.00 -1.01 0.00 0.00 57.07 57.19 1k6y s TYR 194 Cb -0.24 -2.57 -0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1k6y s TYR 194 CO 0.71 -0.63 0.42 -1.54 -1.11 0.00 0.00 175.55 173.39 1k6y s SER 195 N -4.26 6.32 0.28 2.29 1.04 -1.26 -1.99 113.70 116.13 1k6y s SER 195 Ca 0.52 0.26 0.01 0.00 0.48 0.00 0.00 55.95 57.21 1k6y s SER 195 Cb -0.10 -1.94 0.53 0.00 0.10 0.00 0.00 66.02 64.60 1k6y s SER 195 CO 0.43 -0.13 1.84 0.00 0.98 0.00 0.00 173.24 176.37 1k6y h ALA 196 N 1.25 1.50 -0.93 5.32 0.00 -1.73 0.29 119.26 124.95 1k6y h ALA 196 Ca -0.50 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.46 1k6y h ALA 196 Cb 1.22 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 1k6y h ALA 196 CO 0.63 0.26 0.61 0.78 0.00 0.00 0.00 179.25 181.53 1k6y h GLY 197 N 1.03 1.34 1.60 0.00 0.00 -0.97 -1.13 103.07 104.93 1k6y h GLY 197 Ca 0.49 -0.46 -0.21 0.00 0.00 0.00 0.00 47.33 47.15 1k6y h GLY 197 CO -0.25 0.39 -0.87 0.83 0.00 0.00 0.00 176.54 176.65 1k6y h GLU 198 N 1.16 0.37 -0.15 4.80 5.08 -1.35 -3.19 114.58 121.30 1k6y h GLU 198 Ca 0.37 -0.37 -0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1k6y h GLU 198 Cb 0.02 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1k6y h GLU 198 CO -0.11 1.04 0.02 0.00 -1.00 0.00 0.00 179.01 178.96 1k6y h ARG 199 N 0.22 0.25 -0.64 2.33 3.08 -0.36 -1.50 114.38 117.76 1k6y h ARG 199 Ca -0.06 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.93 1k6y h ARG 199 Cb 1.48 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 1k6y h ARG 199 CO 0.15 0.43 0.42 0.97 -1.07 0.00 0.00 179.97 180.86 1k6y h ILE 200 N 0.03 1.17 0.11 2.04 2.10 -1.31 0.29 117.51 121.93 1k6y h ILE 200 Ca 0.05 -0.32 -0.01 0.00 1.08 0.00 0.00 64.86 65.66 1k6y h ILE 200 Cb 0.30 0.23 0.00 0.00 -1.09 0.00 0.00 36.82 36.26 1k6y h ILE 200 CO 0.00 0.16 -0.05 0.58 -1.08 0.00 0.00 178.15 177.77 1k6y h VAL 201 N 0.87 0.92 -0.37 2.19 2.07 -1.53 -0.74 116.25 119.65 1k6y h VAL 201 Ca 0.23 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.70 1k6y h VAL 201 Cb -0.09 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 1k6y h VAL 201 CO -0.05 0.02 0.14 -0.78 0.02 0.00 0.00 177.57 176.92 1k6y h ASP 202 N -0.19 0.17 -0.25 0.57 3.58 -0.87 0.22 116.42 119.64 1k6y h ASP 202 Ca -0.01 0.04 0.02 0.00 0.42 0.00 0.00 57.03 57.49 1k6y h ASP 202 Cb 0.15 0.02 -0.02 0.00 1.72 0.00 0.00 39.33 41.20 1k6y h ASP 202 CO 0.02 0.13 0.13 0.40 -2.88 0.00 0.00 179.24 177.04 1k6y h ILE 203 N 0.30 0.99 -0.43 2.25 2.04 -0.23 -0.55 117.51 121.88 1k6y h ILE 203 Ca 0.17 -0.09 -0.08 0.00 1.00 0.00 0.00 64.86 65.86 1k6y h ILE 203 Cb 0.13 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 36.90 1k6y h ILE 203 CO -0.16 0.05 -0.04 0.40 0.00 0.00 0.00 178.15 178.40 1k6y h ILE 204 N 0.27 1.27 -0.87 -0.67 2.04 -0.78 -2.23 117.51 116.53 1k6y h ILE 204 Ca 0.10 -1.10 0.00 0.00 1.00 0.00 0.00 64.86 64.86 1k6y h ILE 204 Cb 0.03 1.11 -0.04 0.00 -0.74 0.00 0.00 36.82 37.17 1k6y h ILE 204 CO -0.07 0.38 0.55 0.00 0.00 0.00 0.00 178.15 179.01 1k6y h ALA 205 N 0.89 1.35 -0.17 1.87 0.00 -0.36 -1.66 119.26 121.18 1k6y h ALA 205 Ca 0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1k6y h ALA 205 Cb 0.55 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1k6y h ALA 205 CO 0.03 0.59 -0.19 1.15 0.00 0.00 0.00 179.25 180.83 1k6y h THR 206 N 1.18 1.22 -0.08 0.00 2.02 -0.88 -2.09 112.91 114.28 1k6y h THR 206 Ca 0.31 -0.99 -0.14 0.00 0.77 0.00 0.00 66.41 66.37 1k6y h THR 206 Cb -0.10 1.30 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1k6y h THR 206 CO -0.06 0.31 -0.56 -0.78 0.37 0.00 0.00 175.52 174.79 1k6y h ASP 207 N 0.26 0.27 0.23 4.18 3.58 -0.71 -2.55 116.42 121.69 1k6y h ASP 207 Ca 0.05 -0.15 -0.09 0.00 0.42 0.00 0.00 57.03 57.27 1k6y h ASP 207 Cb 0.49 -0.08 -0.01 0.00 1.72 0.00 0.00 39.33 41.45 1k6y h ASP 207 CO 0.03 0.78 -0.34 0.40 -2.88 0.00 0.00 179.24 177.23 1k6y h ILE 208 N 0.19 1.27 -0.20 2.25 2.04 -0.78 -2.86 117.51 119.42 1k6y h ILE 208 Ca -0.00 -1.29 -0.12 0.00 1.00 0.00 0.00 64.86 64.46 1k6y h ILE 208 Cb 1.05 1.58 -0.01 0.00 -0.74 0.00 0.00 36.82 38.70 1k6y h ILE 208 CO 0.09 0.38 -0.38 1.56 0.00 0.00 0.00 178.15 179.79 1k6y h GLN 209 N 0.14 0.44 -0.81 2.37 1.08 -1.01 -2.93 115.11 114.39 1k6y h GLN 209 Ca 0.02 -0.21 -0.16 0.00 -1.45 0.00 0.00 58.65 56.85 1k6y h GLN 209 Cb 0.67 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.00 1k6y h GLN 209 CO 0.05 0.76 0.20 0.25 -0.95 0.00 0.00 178.83 179.13 1k6y n THR 210 N -4.04 2.32 -0.05 -0.54 -2.24 -1.09 -5.12 114.28 103.52 1k6y n THR 210 Ca -0.01 -1.21 0.00 0.00 -2.27 0.00 0.00 64.05 60.55 1k6y n THR 210 Cb 0.49 -0.44 0.00 0.00 -2.10 0.00 0.00 70.33 68.28 1k6y n THR 210 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79