#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kuf h ARG 4 N 0.00 0.10 -6.76 -1.09 2.43 -1.96 -3.45 114.38 103.64 1kuf h ARG 4 Ca 0.00 -0.06 -0.68 0.00 -0.81 0.00 0.00 59.98 58.43 1kuf h ARG 4 Cb 0.00 0.01 -0.20 0.00 -0.42 0.00 0.00 29.97 29.36 1kuf h ARG 4 CO 0.00 0.64 -0.82 -0.06 -1.51 0.00 0.00 179.97 178.23 1kuf s PHE 5 N -3.76 2.48 0.66 2.20 0.40 -1.26 -5.13 117.98 113.57 1kuf s PHE 5 Ca -0.03 -0.29 -0.14 0.00 -0.60 0.00 0.00 56.93 55.87 1kuf s PHE 5 Cb 0.13 -1.33 -0.00 0.00 0.51 0.00 0.00 43.02 42.33 1kuf s PHE 5 CO 0.77 0.37 1.08 -1.25 0.70 0.00 0.00 175.22 176.89 1kuf s PRO 6 N -2.11 2.94 0.27 0.24 0.04 -1.26 -4.77 135.00 130.35 1kuf s PRO 6 Ca 0.17 1.21 -0.30 0.00 0.04 0.00 0.00 61.00 62.12 1kuf s PRO 6 Cb -0.10 -1.98 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1kuf s PRO 6 CO 0.09 -1.12 1.54 -1.14 0.04 0.00 0.00 177.00 176.41 1kuf s GLN 7 N -4.36 4.18 0.15 4.56 2.00 -1.26 -4.82 119.66 120.11 1kuf s GLN 7 Ca 0.63 2.46 0.00 0.00 -2.00 0.00 0.00 55.36 56.45 1kuf s GLN 7 Cb -0.17 -3.07 -0.04 0.00 0.80 0.00 0.00 33.01 30.53 1kuf s GLN 7 CO 0.44 -0.55 0.04 1.03 -0.50 0.00 0.00 175.29 175.75 1kuf s ARG 8 N -0.32 1.02 -0.01 1.67 1.81 -0.65 -4.90 118.95 117.55 1kuf s ARG 8 Ca 0.62 -1.49 0.01 0.00 -1.72 0.00 0.00 55.73 53.15 1kuf s ARG 8 Cb -0.45 0.03 0.01 0.00 -0.45 0.00 0.00 34.95 34.09 1kuf s ARG 8 CO 0.45 -0.21 -0.02 0.71 -0.68 0.00 0.00 175.30 175.55 1kuf s TYR 9 N -3.89 0.26 -0.17 -0.53 1.51 0.21 -1.05 117.35 113.69 1kuf s TYR 9 Ca 0.25 -0.02 0.00 0.00 -1.01 0.00 0.00 57.07 56.28 1kuf s TYR 9 Cb 0.07 -0.25 0.03 0.00 -0.11 0.00 0.00 41.96 41.70 1kuf s TYR 9 CO 0.03 -0.05 -0.10 0.42 -1.11 0.00 0.00 175.55 174.73 1kuf s ILE 10 N 0.36 1.46 -0.47 2.71 1.01 -0.18 -4.28 121.20 121.82 1kuf s ILE 10 Ca -0.03 -0.74 -0.20 0.00 0.00 0.00 0.00 60.65 59.67 1kuf s ILE 10 Cb -0.06 -1.49 0.04 0.00 0.01 0.00 0.00 42.46 40.96 1kuf s ILE 10 CO -0.01 0.28 0.63 -1.61 0.00 0.00 0.00 174.94 174.24 1kuf s GLU 11 N 1.50 3.19 0.12 2.79 8.01 -1.26 -1.88 118.70 131.17 1kuf s GLU 11 Ca 0.02 -0.63 -0.13 0.00 0.01 0.00 0.00 54.97 54.24 1kuf s GLU 11 Cb -0.15 -4.02 -0.07 0.00 -4.31 0.00 0.00 34.13 25.59 1kuf s GLU 11 CO -0.09 -1.12 0.50 -0.51 0.01 0.00 0.00 175.26 174.05 1kuf s LEU 12 N 2.74 4.34 -0.10 1.80 1.43 0.10 -0.20 118.68 128.79 1kuf s LEU 12 Ca 0.19 0.98 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1kuf s LEU 12 Cb -0.17 -3.16 -0.02 0.00 0.03 0.00 0.00 46.19 42.87 1kuf s LEU 12 CO 0.15 0.13 -0.13 0.00 0.23 0.00 0.00 176.35 176.73 1kuf s ALA 13 N -1.44 2.66 -0.12 4.21 0.00 -0.14 -0.01 121.76 126.92 1kuf s ALA 13 Ca 0.36 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 51.43 1kuf s ALA 13 Cb -0.15 -1.14 -0.00 0.00 0.00 0.00 0.00 23.12 21.82 1kuf s ALA 13 CO 0.19 0.36 -0.20 0.42 0.00 0.00 0.00 175.76 176.53 1kuf s ILE 14 N -0.05 2.43 -0.15 0.00 -1.09 -0.18 -1.07 121.20 121.09 1kuf s ILE 14 Ca -0.02 -0.88 0.00 0.00 -2.23 0.00 0.00 60.65 57.52 1kuf s ILE 14 Cb -0.14 -1.97 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1kuf s ILE 14 CO 0.04 0.54 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.45 1kuf s VAL 15 N 0.40 2.69 -0.23 2.92 1.01 -0.09 -1.13 120.40 125.97 1kuf s VAL 15 Ca -0.15 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 60.99 1kuf s VAL 15 Cb -0.17 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1kuf s VAL 15 CO 0.07 0.52 0.09 -0.69 0.00 0.00 0.00 175.10 175.08 1kuf s VAL 16 N 0.72 4.63 1.00 2.92 1.01 0.27 -0.29 120.40 130.67 1kuf s VAL 16 Ca -0.07 -0.07 -0.17 0.00 0.00 0.00 0.00 61.98 61.68 1kuf s VAL 16 Cb -0.16 -3.15 0.21 0.00 0.00 0.00 0.00 36.38 33.29 1kuf s VAL 16 CO 0.01 0.36 1.28 1.51 0.00 0.00 0.00 175.10 178.26 1kuf s ASP 17 N 1.28 2.73 0.26 3.32 3.84 -0.69 -0.67 116.67 126.74 1kuf s ASP 17 Ca 0.05 0.35 0.05 0.00 -0.00 0.00 0.00 52.55 53.00 1kuf s ASP 17 Cb -0.15 -0.44 0.34 0.00 -1.38 0.00 0.00 42.92 41.29 1kuf s ASP 17 CO 0.04 -2.98 1.63 -0.74 -0.00 0.00 0.00 175.17 173.12 1kuf h HIS 18 N -1.81 0.33 -0.62 2.11 -0.00 -1.86 -1.03 115.15 112.27 1kuf h HIS 18 Ca -0.45 -0.11 -0.06 0.00 -0.00 0.00 0.00 60.37 59.76 1kuf h HIS 18 Cb 1.25 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.57 1kuf h HIS 18 CO -1.30 0.72 0.16 0.78 -0.00 0.00 0.00 177.93 178.28 1kuf h GLY 19 N 1.31 1.07 1.27 5.26 0.00 -1.93 -0.34 103.07 109.71 1kuf h GLY 19 Ca 0.01 -0.66 -0.14 0.00 0.00 0.00 0.00 47.33 46.54 1kuf h GLY 19 CO 0.08 0.61 -0.34 1.98 0.00 0.00 0.00 176.54 178.87 1kuf h MET 20 N 0.91 0.81 -0.39 4.80 -1.53 -1.82 0.42 114.93 118.13 1kuf h MET 20 Ca 0.20 -0.39 0.04 0.00 -3.44 0.00 0.00 59.70 56.10 1kuf h MET 20 Cb 0.34 -0.00 -0.04 0.00 -0.55 0.00 0.00 31.60 31.35 1kuf h MET 20 CO 0.00 1.02 0.16 -0.92 0.14 0.00 0.00 176.91 177.31 1kuf h TYR 21 N 0.67 0.28 -0.61 1.39 3.20 -0.88 -1.81 116.97 119.21 1kuf h TYR 21 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 1kuf h TYR 21 Cb 0.89 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.07 1kuf h TYR 21 CO 0.05 0.13 0.20 1.15 -1.64 0.00 0.00 178.16 178.04 1kuf h THR 22 N 0.33 1.24 -0.95 1.81 2.02 -0.83 0.20 112.91 116.73 1kuf h THR 22 Ca 0.17 -0.83 0.10 0.00 0.77 0.00 0.00 66.41 66.63 1kuf h THR 22 Cb 0.13 0.62 -0.07 0.00 -1.74 0.00 0.00 68.15 67.09 1kuf h THR 22 CO -0.16 0.31 0.61 0.50 0.37 0.00 0.00 175.52 177.16 1kuf h LYS 23 N 0.87 0.94 -1.24 6.66 3.64 -0.36 -2.26 116.57 124.83 1kuf h LYS 23 Ca 0.20 -0.06 -0.53 0.00 -1.27 0.00 0.00 60.65 58.99 1kuf h LYS 23 Cb 0.28 -0.21 -0.22 0.00 -0.41 0.00 0.00 32.23 31.67 1kuf h LYS 23 CO -0.01 0.62 0.68 0.66 -2.27 0.00 0.00 179.45 179.13 1kuf n TYR 24 N -4.56 2.50 -2.15 1.91 4.01 -0.73 -4.87 117.16 113.27 1kuf n TYR 24 Ca 0.17 -2.57 -0.17 0.00 -0.16 0.00 0.00 57.90 55.16 1kuf n TYR 24 Cb 0.32 -1.24 -0.03 0.00 -0.31 0.00 0.00 39.34 38.07 1kuf n TYR 24 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 1kuf n SER 25 N -0.36 -4.96 -2.57 7.72 7.64 -0.85 -2.08 113.62 118.16 1kuf n SER 25 Ca 0.49 0.17 -0.16 0.00 1.01 0.00 0.00 58.87 60.38 1kuf n SER 25 Cb 0.62 -4.24 -0.00 0.00 -1.01 0.00 0.00 64.21 59.57 1kuf n SER 25 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1kuf n SER 26 N -1.66 -4.45 -4.28 6.43 7.64 0.04 -4.92 113.62 112.43 1kuf n SER 26 Ca -0.20 0.06 -0.44 0.00 1.01 0.00 0.00 58.87 59.30 1kuf n SER 26 Cb 0.63 -3.74 -0.06 0.00 -1.01 0.00 0.00 64.21 60.04 1kuf n SER 26 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1kuf s ASN 27 N -2.15 6.04 0.18 6.43 3.04 -0.88 -4.97 114.94 122.63 1kuf s ASN 27 Ca 0.06 -1.86 -0.13 0.00 0.04 0.00 0.00 52.86 50.98 1kuf s ASN 27 Cb -0.03 -2.14 0.17 0.00 -1.54 0.00 0.00 41.25 37.70 1kuf s ASN 27 CO 0.08 -0.80 1.77 0.15 -3.04 0.00 0.00 177.10 175.26 1kuf h PHE 28 N 8.71 0.40 -0.41 0.43 3.57 -1.91 -1.66 116.94 126.06 1kuf h PHE 28 Ca -0.26 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.30 1kuf h PHE 28 Cb 1.09 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.69 1kuf h PHE 28 CO 0.71 0.16 0.18 -0.22 -2.23 0.00 0.00 178.31 176.91 1kuf h LYS 29 N 0.43 0.36 -0.61 1.11 3.11 -1.98 0.14 116.57 119.13 1kuf h LYS 29 Ca 0.24 -0.02 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1kuf h LYS 29 Cb 0.21 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.33 1kuf h LYS 29 CO -0.21 0.24 0.35 -0.22 -2.81 0.00 0.00 179.45 176.80 1kuf h LYS 30 N 0.37 0.84 -0.36 1.90 3.64 -1.85 -1.51 116.57 119.61 1kuf h LYS 30 Ca 0.18 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.44 1kuf h LYS 30 Cb 0.13 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 1kuf h LYS 30 CO -0.15 0.63 0.10 0.82 -2.27 0.00 0.00 179.45 178.57 1kuf h ILE 31 N 0.83 1.21 -0.71 2.00 2.04 -0.77 -1.59 117.51 120.51 1kuf h ILE 31 Ca 0.22 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1kuf h ILE 31 Cb 0.02 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.06 1kuf h ILE 31 CO -0.04 0.24 0.40 -0.09 0.00 0.00 0.00 178.15 178.67 1kuf h ARG 32 N 0.43 0.99 -0.54 2.37 2.43 -0.52 -0.08 114.38 119.46 1kuf h ARG 32 Ca 0.11 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1kuf h ARG 32 Cb 0.27 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.60 1kuf h ARG 32 CO -0.00 0.73 0.28 -0.22 -1.51 0.00 0.00 179.97 179.25 1kuf h LYS 33 N 0.98 0.77 -0.51 0.20 3.64 -1.14 0.10 116.57 120.60 1kuf h LYS 33 Ca 0.25 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1kuf h LYS 33 Cb 0.02 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.67 1kuf h LYS 33 CO -0.04 0.61 0.17 -0.09 -2.27 0.00 0.00 179.45 177.83 1kuf h ARG 34 N 0.73 0.79 -0.59 1.90 2.43 -0.74 -1.35 114.38 117.56 1kuf h ARG 34 Ca 0.19 -0.17 -0.02 0.00 -0.81 0.00 0.00 59.98 59.17 1kuf h ARG 34 Cb 0.08 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1kuf h ARG 34 CO -0.03 0.73 0.28 0.28 -1.51 0.00 0.00 179.97 179.72 1kuf h VAL 35 N 0.70 1.21 -0.87 0.20 2.07 -0.72 -0.68 116.25 118.16 1kuf h VAL 35 Ca 0.17 -0.61 0.01 0.00 0.82 0.00 0.00 66.70 67.09 1kuf h VAL 35 Cb 0.26 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.51 1kuf h VAL 35 CO -0.01 0.25 0.58 0.45 0.02 0.00 0.00 177.57 178.85 1kuf h HIS 36 N 0.80 1.09 -0.33 1.57 3.86 -0.75 -0.30 115.15 121.10 1kuf h HIS 36 Ca 0.20 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.37 1kuf h HIS 36 Cb 0.13 -0.37 -0.02 0.00 1.06 0.00 0.00 27.41 28.22 1kuf h HIS 36 CO 0.00 0.68 -0.08 0.37 0.86 0.00 0.00 177.93 179.76 1kuf h GLN 37 N 1.17 0.54 -0.13 2.45 4.15 -0.67 0.10 115.11 122.71 1kuf h GLN 37 Ca 0.32 -0.14 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 1kuf h GLN 37 Cb -0.12 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.50 1kuf h GLN 37 CO -0.07 0.62 0.05 0.52 -1.93 0.00 0.00 178.83 178.01 1kuf h MET 38 N 0.50 0.20 -0.69 1.69 2.86 -0.48 -2.34 114.93 116.67 1kuf h MET 38 Ca 0.10 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.68 1kuf h MET 38 Cb 0.45 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.04 1kuf h MET 38 CO 0.02 0.32 0.36 0.28 1.06 0.00 0.00 176.91 178.95 1kuf h VAL 39 N 0.04 1.21 -0.44 -2.22 2.07 -0.55 0.40 116.25 116.77 1kuf h VAL 39 Ca 0.04 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 1kuf h VAL 39 Cb 0.20 0.30 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1kuf h VAL 39 CO -0.00 0.24 0.13 0.28 0.02 0.00 0.00 177.57 178.24 1kuf h SER 40 N 0.97 0.58 -0.25 0.57 0.02 -0.81 0.74 113.55 115.37 1kuf h SER 40 Ca 0.24 -0.08 -0.18 0.00 -0.84 0.00 0.00 61.79 60.94 1kuf h SER 40 Cb 0.06 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.45 1kuf h SER 40 CO -0.04 0.57 -0.54 0.78 -1.14 0.00 0.00 176.83 176.47 1kuf h ASN 41 N 0.63 0.90 -0.60 3.07 2.35 -0.74 -1.83 115.58 119.35 1kuf h ASN 41 Ca 0.15 -0.55 -0.00 0.00 -0.55 0.00 0.00 56.30 55.35 1kuf h ASN 41 Cb 0.20 -0.26 -0.03 0.00 0.05 0.00 0.00 38.32 38.29 1kuf h ASN 41 CO -0.01 1.29 0.37 0.40 -1.65 0.00 0.00 177.43 177.83 1kuf h ILE 42 N 0.55 1.17 -0.46 2.81 2.04 -0.40 0.02 117.51 123.24 1kuf h ILE 42 Ca 0.00 -0.37 0.03 0.00 1.00 0.00 0.00 64.86 65.53 1kuf h ILE 42 Cb 1.15 0.33 -0.04 0.00 -0.74 0.00 0.00 36.82 37.52 1kuf h ILE 42 CO 0.12 0.18 0.24 -1.13 0.00 0.00 0.00 178.15 177.56 1kuf h ASN 43 N 0.82 0.37 -0.65 1.72 -1.24 -0.84 -0.77 115.58 114.99 1kuf h ASN 43 Ca 0.22 0.02 -0.00 0.00 0.71 0.00 0.00 56.30 57.25 1kuf h ASN 43 Cb -0.04 -0.05 -0.03 0.00 0.73 0.00 0.00 38.32 38.93 1kuf h ASN 43 CO -0.04 0.26 0.40 -0.08 -1.29 0.00 0.00 177.43 176.68 1kuf h GLU 44 N 0.49 0.88 0.00 6.67 4.57 -0.88 -2.26 114.58 124.04 1kuf h GLU 44 Ca 0.20 -0.07 -0.05 0.00 -1.18 0.00 0.00 59.36 58.26 1kuf h GLU 44 Cb 0.08 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 1kuf h GLU 44 CO -0.13 0.62 -0.23 0.52 -1.18 0.00 0.00 179.01 178.61 1kuf h MET 45 N 0.88 0.00 -0.01 1.92 2.86 -0.51 -2.63 114.93 117.44 1kuf h MET 45 Ca 0.23 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.87 1kuf h MET 45 Cb -0.04 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.62 1kuf h MET 45 CO -0.05 0.23 -0.10 0.00 1.06 0.00 0.00 176.91 178.05 1kuf h ARG 47 N 1.91 0.46 0.00 0.00 3.08 -1.04 -0.28 114.38 118.52 1kuf h ARG 47 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.02 1kuf h ARG 47 Cb 0.51 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.45 1kuf h ARG 47 CO 0.00 0.31 0.00 -2.30 -1.07 0.00 0.00 179.97 176.91 1kuf n PRO 48 N -4.94 0.02 0.00 0.04 -0.02 -1.26 -1.30 135.00 127.54 1kuf n PRO 48 Ca 0.08 0.35 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1kuf n PRO 48 Cb 0.24 -1.55 0.12 0.00 -0.02 0.00 0.00 33.50 32.29 1kuf n PRO 48 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1kuf n LEU 49 N -1.60 1.99 -3.60 2.45 4.77 -0.14 -4.75 117.00 116.12 1kuf n LEU 49 Ca 0.02 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.08 1kuf n LEU 49 Cb 0.13 -0.02 0.08 0.00 -2.33 0.00 0.00 43.42 41.27 1kuf n LEU 49 CO 0.10 0.36 0.20 -3.20 -1.33 0.00 0.00 177.39 173.52 1kuf n ASN 50 N 0.13 -5.32 -4.27 -1.43 5.15 -0.42 -4.70 115.26 104.40 1kuf n ASN 50 Ca 0.11 -0.59 -0.34 0.00 -0.60 0.00 0.00 54.58 53.16 1kuf n ASN 50 Cb 0.46 -4.92 -0.14 0.00 -0.53 0.00 0.00 39.78 34.65 1kuf n ASN 50 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1kuf s ILE 51 N -3.33 3.04 -0.28 -1.44 1.01 -1.16 -1.64 121.20 117.39 1kuf s ILE 51 Ca 0.47 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 60.29 1kuf s ILE 51 Cb -0.21 -2.36 -0.01 0.00 0.01 0.00 0.00 42.46 39.90 1kuf s ILE 51 CO 0.74 0.46 0.75 0.00 0.00 0.00 0.00 174.94 176.89 1kuf s ALA 52 N 1.34 3.57 -0.22 9.38 0.00 -0.22 -4.51 121.76 131.10 1kuf s ALA 52 Ca 0.04 -0.40 -0.11 0.00 0.00 0.00 0.00 51.96 51.50 1kuf s ALA 52 Cb -0.14 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.71 1kuf s ALA 52 CO -0.05 -1.05 0.17 0.42 0.00 0.00 0.00 175.76 175.24 1kuf s ILE 53 N 2.80 5.37 0.15 0.00 -1.09 -1.26 -1.01 121.20 126.16 1kuf s ILE 53 Ca 0.31 0.23 0.06 0.00 -2.23 0.00 0.00 60.65 59.02 1kuf s ILE 53 Cb -0.15 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.18 1kuf s ILE 53 CO 0.11 0.38 -0.14 0.42 -1.23 0.00 0.00 174.94 174.47 1kuf s THR 54 N 0.80 1.47 -0.52 2.92 -4.23 -0.79 -4.85 115.64 110.44 1kuf s THR 54 Ca 0.09 -1.92 -0.17 0.00 -1.18 0.00 0.00 61.69 58.51 1kuf s THR 54 Cb -0.13 -1.74 0.09 0.00 1.34 0.00 0.00 72.50 72.06 1kuf s THR 54 CO 0.02 -0.50 0.52 -0.22 -0.54 0.00 0.00 174.62 173.90 1kuf s LEU 55 N -2.80 5.62 0.16 4.79 2.96 -1.26 -0.72 118.68 127.43 1kuf s LEU 55 Ca 0.14 -1.40 0.10 0.00 -0.22 0.00 0.00 54.13 52.75 1kuf s LEU 55 Cb -0.03 -2.26 -0.13 0.00 0.50 0.00 0.00 46.19 44.27 1kuf s LEU 55 CO 0.04 -0.83 1.30 0.00 -1.32 0.00 0.00 176.35 175.54 1kuf h ALA 56 N 8.91 0.46 -1.97 5.97 0.00 -0.74 -3.47 119.26 128.41 1kuf h ALA 56 Ca -0.29 -0.80 -0.02 0.00 0.00 0.00 0.00 54.91 53.81 1kuf h ALA 56 Cb 1.10 -0.11 -0.21 0.00 0.00 0.00 0.00 17.79 18.57 1kuf h ALA 56 CO 0.97 1.08 0.12 -1.17 0.00 0.00 0.00 179.25 180.25 1kuf s LEU 57 N -6.60 -0.78 -0.12 0.00 2.96 -1.06 -5.01 118.68 108.06 1kuf s LEU 57 Ca 0.02 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.39 1kuf s LEU 57 Cb 0.09 2.41 0.01 0.00 0.50 0.00 0.00 46.19 49.20 1kuf s LEU 57 CO 0.80 -0.24 -0.20 -0.22 -1.32 0.00 0.00 176.35 175.16 1kuf s LEU 58 N 0.71 1.99 -0.13 -0.68 2.96 -1.26 -1.01 118.68 121.25 1kuf s LEU 58 Ca -0.03 -0.53 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 1kuf s LEU 58 Cb -0.05 -1.32 0.02 0.00 0.50 0.00 0.00 46.19 45.35 1kuf s LEU 58 CO -0.05 0.08 -0.11 -0.62 -1.32 0.00 0.00 176.35 174.33 1kuf s ASP 59 N 0.72 2.43 -0.21 3.68 2.15 -0.28 -4.99 116.67 120.17 1kuf s ASP 59 Ca -0.11 -0.40 -0.04 0.00 0.43 0.00 0.00 52.55 52.44 1kuf s ASP 59 Cb -0.16 -1.01 -0.01 0.00 -0.30 0.00 0.00 42.92 41.43 1kuf s ASP 59 CO 0.01 -0.08 -0.04 -0.69 -0.17 0.00 0.00 175.17 174.20 1kuf s VAL 60 N 1.57 3.48 -1.29 1.11 1.01 -1.26 -0.56 120.40 124.46 1kuf s VAL 60 Ca 0.04 -0.46 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 1kuf s VAL 60 Cb -0.13 -2.58 0.09 0.00 0.00 0.00 0.00 36.38 33.77 1kuf s VAL 60 CO -0.09 0.43 1.71 0.79 0.00 0.00 0.00 175.10 177.94 1kuf n TRP 61 N 4.62 4.60 0.83 5.22 8.01 0.15 -4.78 117.44 136.10 1kuf n TRP 61 Ca -0.18 -2.97 0.11 0.00 -1.31 0.00 0.00 57.50 53.15 1kuf n TRP 61 Cb 0.51 -2.51 0.51 0.00 -2.01 0.00 0.00 31.31 27.81 1kuf n TRP 61 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.69 175.55 1kuf n SER 62 N 7.45 0.00 -0.06 -0.99 3.41 -1.26 -3.62 113.62 118.54 1kuf n SER 62 Ca 0.46 0.46 -0.13 0.00 -0.26 0.00 0.00 58.87 59.39 1kuf n SER 62 Cb 0.44 -0.48 -0.05 0.00 -0.26 0.00 0.00 64.21 63.86 1kuf n SER 62 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1kuf n GLU 63 N -1.48 0.28 -3.53 4.33 1.02 -1.26 -5.07 120.64 114.92 1kuf n GLU 63 Ca 0.06 0.12 -0.08 0.00 -0.02 0.00 0.00 57.16 57.24 1kuf n GLU 63 Cb 0.27 -0.98 -0.02 0.00 -0.02 0.00 0.00 31.44 30.69 1kuf n GLU 63 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1kuf s LYS 64 N -2.24 0.95 0.30 3.49 -2.85 -1.26 -5.06 119.74 113.07 1kuf s LYS 64 Ca -0.18 -0.38 -0.29 0.00 -1.00 0.00 0.00 55.97 54.12 1kuf s LYS 64 Cb 0.07 0.41 -0.09 0.00 -2.06 0.00 0.00 37.83 36.16 1kuf s LYS 64 CO 0.23 -0.42 1.10 -0.51 0.10 0.00 0.00 175.35 175.86 1kuf s ASP 65 N -2.59 7.16 0.00 0.03 -0.00 -1.26 -4.76 116.67 115.25 1kuf s ASP 65 Ca 0.06 2.26 0.24 0.00 -0.00 0.00 0.00 52.55 55.10 1kuf s ASP 65 Cb -0.01 -2.62 0.22 0.00 -0.00 0.00 0.00 42.92 40.50 1kuf s ASP 65 CO -0.08 -0.22 1.24 0.49 -0.00 0.00 0.00 175.17 176.60 1kuf n PHE 66 N 0.97 0.00 -4.20 4.23 3.01 -1.26 -4.91 117.46 115.30 1kuf n PHE 66 Ca -0.00 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.34 1kuf n PHE 66 Cb 0.45 -0.02 -0.10 0.00 -0.01 0.00 0.00 39.48 39.80 1kuf n PHE 66 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 1kuf s ILE 67 N -2.39 0.17 -0.53 4.37 -4.36 -1.26 -5.06 121.20 112.14 1kuf s ILE 67 Ca 0.22 -1.96 -0.22 0.00 -0.26 0.00 0.00 60.65 58.43 1kuf s ILE 67 Cb 0.19 -2.29 0.05 0.00 1.25 0.00 0.00 42.46 41.65 1kuf s ILE 67 CO 0.51 -0.24 0.82 -0.89 0.24 0.00 0.00 174.94 175.38 1kuf s THR 68 N -4.02 4.57 -0.74 8.37 2.01 -1.26 -4.98 115.64 119.60 1kuf s THR 68 Ca 0.31 -0.00 -0.23 0.00 0.31 0.00 0.00 61.69 62.08 1kuf s THR 68 Cb 0.07 -4.45 0.06 0.00 0.01 0.00 0.00 72.50 68.20 1kuf s THR 68 CO 0.07 -0.99 1.10 -0.69 -0.69 0.00 0.00 174.62 173.42 1kuf s VAL 69 N 3.45 4.18 0.55 3.82 1.01 -1.26 -4.76 120.40 127.39 1kuf s VAL 69 Ca 0.25 -0.32 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1kuf s VAL 69 Cb -0.15 -4.79 0.04 0.00 0.00 0.00 0.00 36.38 31.48 1kuf s VAL 69 CO 0.17 -1.61 0.32 0.00 0.00 0.00 0.00 175.10 173.98 1kuf s GLN 70 N 4.42 2.24 0.35 2.72 -2.07 -1.26 -4.97 119.66 121.08 1kuf s GLN 70 Ca 0.28 -2.15 0.04 0.00 -1.82 0.00 0.00 55.36 51.72 1kuf s GLN 70 Cb -0.12 -1.95 0.65 0.00 -1.09 0.00 0.00 33.01 30.49 1kuf s GLN 70 CO 0.08 -0.61 1.92 0.00 -1.32 0.00 0.00 175.29 175.35 1kuf h ALA 71 N 0.84 1.44 -1.97 2.60 0.00 -1.94 -3.39 119.26 116.83 1kuf h ALA 71 Ca -0.38 -0.16 -0.58 0.00 0.00 0.00 0.00 54.91 53.79 1kuf h ALA 71 Cb 1.31 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 1kuf h ALA 71 CO 0.60 0.41 0.71 0.34 0.00 0.00 0.00 179.25 181.31 1kuf s ASP 72 N -6.71 6.73 0.15 0.00 2.15 -1.26 -0.55 116.67 117.18 1kuf s ASP 72 Ca -0.08 0.67 -0.15 0.00 0.43 0.00 0.00 52.55 53.42 1kuf s ASP 72 Cb 0.16 -2.50 0.02 0.00 -0.30 0.00 0.00 42.92 40.30 1kuf s ASP 72 CO 0.76 -0.92 1.73 0.00 -0.17 0.00 0.00 175.17 176.56 1kuf h ALA 73 N 8.50 0.57 -0.82 3.66 0.00 -1.93 -1.78 119.26 127.46 1kuf h ALA 73 Ca -0.22 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kuf h ALA 73 Cb 1.07 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1kuf h ALA 73 CO 1.02 0.14 0.48 -1.35 0.00 0.00 0.00 179.25 179.54 1kuf h PRO 74 N 0.58 1.11 -0.44 0.00 0.11 -1.95 0.80 132.00 132.21 1kuf h PRO 74 Ca 0.15 -0.10 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 1kuf h PRO 74 Cb 0.12 -0.23 -0.02 0.00 0.11 0.00 0.00 31.00 30.97 1kuf h PRO 74 CO -0.02 0.79 0.22 1.15 -0.21 0.00 0.00 178.00 179.92 1kuf h THR 75 N 1.13 1.18 -0.77 -1.15 2.02 -1.92 -1.71 112.91 111.69 1kuf h THR 75 Ca 0.29 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 67.00 1kuf h THR 75 Cb -0.03 0.70 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1kuf h THR 75 CO -0.05 0.19 0.50 0.74 0.37 0.00 0.00 175.52 177.27 1kuf h THR 76 N 0.57 1.16 -0.66 3.16 2.02 -0.76 -2.24 112.91 116.16 1kuf h THR 76 Ca 0.15 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.99 1kuf h THR 76 Cb 0.11 0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.56 1kuf h THR 76 CO -0.02 0.18 0.40 0.00 0.37 0.00 0.00 175.52 176.45 1kuf h ALA 77 N 1.30 1.46 -0.43 6.16 0.00 -0.43 0.87 119.26 128.19 1kuf h ALA 77 Ca 0.29 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 55.01 1kuf h ALA 77 Cb -0.06 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 1kuf h ALA 77 CO -0.08 0.47 -0.18 0.78 0.00 0.00 0.00 179.25 180.24 1kuf h GLY 78 N 0.94 0.96 1.30 0.00 0.00 -0.76 0.94 103.07 106.46 1kuf h GLY 78 Ca 0.24 -0.84 -0.10 0.00 0.00 0.00 0.00 47.33 46.62 1kuf h GLY 78 CO -0.05 0.77 -0.13 1.41 0.00 0.00 0.00 176.54 178.55 1kuf h LEU 79 N 0.71 0.81 -0.50 3.11 3.38 -1.03 -2.02 115.31 119.77 1kuf h LEU 79 Ca 0.10 -0.26 -0.13 0.00 0.09 0.00 0.00 57.88 57.68 1kuf h LEU 79 Cb 0.74 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 1kuf h LEU 79 CO 0.06 0.95 -0.22 0.15 0.09 0.00 0.00 178.44 179.47 1kuf h PHE 80 N 0.73 1.14 -0.74 1.13 3.57 -0.62 -1.92 116.94 120.23 1kuf h PHE 80 Ca 0.12 -0.28 -0.02 0.00 3.53 0.00 0.00 57.97 61.33 1kuf h PHE 80 Cb 0.63 -0.26 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 1kuf h PHE 80 CO 0.03 1.10 0.40 0.78 -2.23 0.00 0.00 178.31 178.40 1kuf h GLY 81 N 0.88 1.11 0.95 2.40 0.00 -0.60 0.32 103.07 108.13 1kuf h GLY 81 Ca 0.11 -0.51 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 1kuf h GLY 81 CO 0.07 0.49 0.11 -0.55 0.00 0.00 0.00 176.54 176.65 1kuf h ASP 82 N 1.03 0.23 -0.06 0.19 3.45 -1.24 -1.13 116.42 118.89 1kuf h ASP 82 Ca 0.26 -0.08 -0.09 0.00 0.43 0.00 0.00 57.03 57.55 1kuf h ASP 82 Cb 0.05 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.74 1kuf h ASP 82 CO -0.04 0.24 -0.23 -0.25 -1.57 0.00 0.00 179.24 177.39 1kuf h TRP 83 N 0.21 0.52 -0.63 4.55 7.01 -1.01 -1.57 115.95 125.03 1kuf h TRP 83 Ca 0.07 -0.11 -0.09 0.00 2.11 0.00 0.00 58.89 60.87 1kuf h TRP 83 Cb 0.06 -0.13 -0.02 0.00 -2.10 0.00 0.00 29.16 26.96 1kuf h TRP 83 CO -0.04 0.67 0.05 -0.09 -2.79 0.00 0.00 178.44 176.24 1kuf h ARG 84 N 0.42 1.08 -0.06 2.65 1.12 -0.07 0.20 114.38 119.72 1kuf h ARG 84 Ca 0.06 -0.31 -0.04 0.00 -1.11 0.00 0.00 59.98 58.58 1kuf h ARG 84 Cb 0.64 -0.11 0.00 0.00 -0.01 0.00 0.00 29.97 30.49 1kuf h ARG 84 CO 0.05 1.02 -0.12 1.49 -3.11 0.00 0.00 179.97 179.29 1kuf h GLU 85 N 1.00 0.18 0.00 0.20 4.81 -1.02 0.86 114.58 120.60 1kuf h GLU 85 Ca 0.19 -0.12 -0.15 0.00 -0.13 0.00 0.00 59.36 59.15 1kuf h GLU 85 Cb 0.50 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.88 1kuf h GLU 85 CO 0.02 0.72 -0.70 0.00 -0.73 0.00 0.00 179.01 178.32 1kuf h ARG 86 N -0.33 0.00 0.00 1.92 3.08 -1.26 -3.39 114.38 114.41 1kuf h ARG 86 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1kuf h ARG 86 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 1kuf h ARG 86 CO 0.03 0.70 -0.09 0.28 -1.07 0.00 0.00 179.97 179.82 1kuf n VAL 87 N -3.60 1.10 -0.11 2.04 0.31 0.68 -4.70 118.33 114.05 1kuf n VAL 87 Ca -0.01 0.37 -0.07 0.00 -0.01 0.00 0.00 64.34 64.62 1kuf n VAL 87 Cb 0.71 -1.56 0.01 0.00 -0.91 0.00 0.00 33.84 32.09 1kuf n VAL 87 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 1kuf h LEU 88 N 0.00 0.30 -2.39 7.52 5.85 -1.30 -1.79 115.31 123.49 1kuf h LEU 88 Ca 0.00 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 1kuf h LEU 88 Cb 0.09 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1kuf h LEU 88 CO 0.00 0.22 -0.01 -0.07 -0.34 0.00 0.00 178.44 178.24 1kuf h LEU 89 N 0.40 0.00 -0.34 2.25 3.38 -1.02 -0.58 115.31 119.41 1kuf h LEU 89 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1kuf h LEU 89 Cb 0.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.80 1kuf h LEU 89 CO -0.10 0.01 0.00 0.11 0.09 0.00 0.00 178.44 178.55 1kuf h LYS 90 N 0.00 0.00 0.13 1.13 1.79 -1.55 -3.26 116.57 114.81 1kuf h LYS 90 Ca -0.00 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.28 1kuf h LYS 90 Cb 0.01 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.68 1kuf h LYS 90 CO 0.00 0.00 -0.88 0.87 -1.08 0.00 0.00 179.45 178.36 1kuf h LYS 91 N 0.00 0.28 -1.81 3.15 1.79 -0.95 -3.47 116.57 115.56 1kuf h LYS 91 Ca 0.00 -0.48 0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1kuf h LYS 91 Cb 0.77 0.18 -0.24 0.00 -1.58 0.00 0.00 32.23 31.36 1kuf h LYS 91 CO 0.00 1.23 0.19 0.21 -1.08 0.00 0.00 179.45 180.00 1kuf s LYS 92 N -2.43 0.59 0.51 3.15 2.20 -1.10 -5.15 119.74 117.52 1kuf s LYS 92 Ca -0.15 0.96 -0.22 0.00 -0.36 0.00 0.00 55.97 56.20 1kuf s LYS 92 Cb 0.01 0.15 -0.06 0.00 -1.51 0.00 0.00 37.83 36.42 1kuf s LYS 92 CO 0.82 -0.11 1.23 1.21 -0.36 0.00 0.00 175.35 178.13 1kuf s ASN 93 N 1.31 5.71 0.23 1.43 2.47 -1.25 -4.51 114.94 120.33 1kuf s ASN 93 Ca -0.08 2.45 -0.22 0.00 0.42 0.00 0.00 52.86 55.43 1kuf s ASN 93 Cb -0.05 -2.61 0.04 0.00 -1.45 0.00 0.00 41.25 37.18 1kuf s ASN 93 CO -0.15 -1.24 0.78 -1.38 -3.72 0.00 0.00 177.10 171.39 1kuf s HIS 94 N -1.49 -0.20 -0.11 0.43 -3.43 -1.26 -4.97 115.29 104.25 1kuf s HIS 94 Ca 0.69 -0.19 0.15 0.00 -0.80 0.00 0.00 55.06 54.90 1kuf s HIS 94 Cb -0.32 0.68 -0.24 0.00 -1.43 0.00 0.00 32.58 31.27 1kuf s HIS 94 CO 0.38 -1.08 0.41 -0.25 -2.00 0.00 0.00 174.74 172.19 1kuf n ASP 95 N -0.45 0.53 -3.66 7.38 10.43 0.72 -4.97 116.55 126.53 1kuf n ASP 95 Ca -0.06 0.24 -0.14 0.00 2.57 0.00 0.00 54.79 57.40 1kuf n ASP 95 Cb 0.60 0.37 -0.08 0.00 1.84 0.00 0.00 41.12 43.85 1kuf n ASP 95 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 1kuf s HIS 96 N -2.55 -0.59 -0.01 1.24 5.04 -1.19 -3.34 115.29 113.89 1kuf s HIS 96 Ca -0.07 1.32 0.05 0.00 -1.54 0.00 0.00 55.06 54.81 1kuf s HIS 96 Cb 0.07 0.24 -0.01 0.00 0.04 0.00 0.00 32.58 32.92 1kuf s HIS 96 CO 0.83 -0.38 -0.15 0.00 -2.34 0.00 0.00 174.74 172.70 1kuf s ALA 97 N -0.18 1.22 -0.04 1.58 0.00 -0.58 -0.97 121.76 122.79 1kuf s ALA 97 Ca -0.04 -0.65 0.06 0.00 0.00 0.00 0.00 51.96 51.33 1kuf s ALA 97 Cb -0.03 -0.31 -0.01 0.00 0.00 0.00 0.00 23.12 22.77 1kuf s ALA 97 CO 0.03 0.30 -0.21 -0.65 0.00 0.00 0.00 175.76 175.23 1kuf s GLN 98 N -0.39 2.05 -0.26 0.00 -0.21 -0.23 -1.69 119.66 118.94 1kuf s GLN 98 Ca 0.05 -0.76 -0.12 0.00 0.02 0.00 0.00 55.36 54.55 1kuf s GLN 98 Cb -0.06 -1.81 -0.05 0.00 1.00 0.00 0.00 33.01 32.10 1kuf s GLN 98 CO -0.00 0.35 0.25 -1.17 -2.12 0.00 0.00 175.29 172.59 1kuf s LEU 99 N -0.17 4.06 -0.16 2.90 2.96 -0.42 -0.91 118.68 126.95 1kuf s LEU 99 Ca -0.01 0.15 -0.10 0.00 -0.22 0.00 0.00 54.13 53.96 1kuf s LEU 99 Cb -0.12 -2.23 -0.05 0.00 0.50 0.00 0.00 46.19 44.30 1kuf s LEU 99 CO 0.02 -0.06 0.17 -0.76 -1.32 0.00 0.00 176.35 174.40 1kuf s LEU 100 N 1.61 4.30 0.07 -0.68 1.43 0.61 -0.66 118.68 125.36 1kuf s LEU 100 Ca 0.10 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.51 1kuf s LEU 100 Cb -0.15 -2.14 -0.00 0.00 0.03 0.00 0.00 46.19 43.92 1kuf s LEU 100 CO 0.09 0.26 0.17 0.28 0.23 0.00 0.00 176.35 177.38 1kuf s THR 101 N -0.22 0.14 -2.07 5.49 -1.32 -0.49 -1.70 115.64 115.47 1kuf s THR 101 Ca 0.12 -1.18 0.23 0.00 -1.21 0.00 0.00 61.69 59.65 1kuf s THR 101 Cb -0.12 -1.26 0.61 0.00 -1.51 0.00 0.00 72.50 70.21 1kuf s THR 101 CO 0.02 -0.65 1.52 -0.67 -2.21 0.00 0.00 174.62 172.62 1kuf n ASP 102 N 0.11 3.88 -4.70 8.08 2.03 -1.26 -0.14 116.55 124.56 1kuf n ASP 102 Ca -0.16 -2.00 -0.43 0.00 0.52 0.00 0.00 54.79 52.72 1kuf n ASP 102 Cb 0.62 -0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 40.55 1kuf n ASP 102 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1kuf n THR 103 N 1.63 1.29 -2.73 5.18 -1.04 -1.26 -4.87 114.28 112.48 1kuf n THR 103 Ca 0.24 -0.32 -0.43 0.00 -2.04 0.00 0.00 64.05 61.49 1kuf n THR 103 Cb 0.62 -1.64 -0.00 0.00 -1.82 0.00 0.00 70.33 67.49 1kuf n THR 103 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 1kuf s ASN 104 N 0.16 6.93 0.61 8.00 3.04 -1.26 -4.91 114.94 127.52 1kuf s ASN 104 Ca 0.63 -2.66 -0.18 0.00 0.04 0.00 0.00 52.86 50.69 1kuf s ASN 104 Cb -0.58 -2.51 -0.04 0.00 -1.54 0.00 0.00 41.25 36.57 1kuf s ASN 104 CO 0.53 -1.00 0.94 0.49 -3.04 0.00 0.00 177.10 175.02 1kuf n PHE 105 N 7.29 0.71 -1.62 0.43 0.99 -1.26 -4.78 117.46 119.23 1kuf n PHE 105 Ca 0.44 0.43 -0.36 0.00 -0.00 0.00 0.00 57.45 57.96 1kuf n PHE 105 Cb 0.45 -2.12 0.08 0.00 -1.00 0.00 0.00 39.48 36.88 1kuf n PHE 105 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1kuf s ALA 106 N -1.55 2.26 -1.49 4.37 0.00 0.29 -3.42 121.76 122.23 1kuf s ALA 106 Ca 0.76 1.07 -0.05 0.00 0.00 0.00 0.00 51.96 53.74 1kuf s ALA 106 Cb -0.41 -3.52 0.02 0.00 0.00 0.00 0.00 23.12 19.22 1kuf s ALA 106 CO 0.47 -1.71 0.49 0.54 0.00 0.00 0.00 175.76 175.55 1kuf n ARG 107 N -2.24 -4.12 -2.11 0.00 1.74 -1.26 -1.52 116.66 107.14 1kuf n ARG 107 Ca 0.15 0.80 -0.18 0.00 -0.77 0.00 0.00 57.85 57.85 1kuf n ARG 107 Cb 0.49 -5.60 -0.03 0.00 -1.02 0.00 0.00 32.46 26.30 1kuf n ARG 107 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1kuf n ASN 108 N -2.38 -5.01 -4.77 0.55 5.03 -1.22 -4.93 115.26 102.53 1kuf n ASN 108 Ca -0.10 0.19 -0.40 0.00 0.87 0.00 0.00 54.58 55.13 1kuf n ASN 108 Cb 0.61 -4.29 -0.03 0.00 -1.02 0.00 0.00 39.78 35.05 1kuf n ASN 108 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1kuf s THR 109 N -2.76 3.04 0.00 3.41 2.01 -0.58 -4.95 115.64 115.82 1kuf s THR 109 Ca 0.00 1.02 0.00 0.00 0.31 0.00 0.00 61.69 63.02 1kuf s THR 109 Cb 0.00 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.87 1kuf s THR 109 CO 0.00 0.22 0.54 2.30 -0.69 0.00 0.00 174.62 176.99 1kuf n ILE 110 N 0.81 0.11 0.00 1.82 -5.35 -1.26 -4.33 119.36 111.16 1kuf n ILE 110 Ca 0.00 -0.54 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 1kuf n ILE 110 Cb 0.44 0.98 0.00 0.00 -1.74 0.00 0.00 39.64 39.31 1kuf n ILE 110 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1kuf n GLY 111 N -0.06 0.60 3.54 3.28 0.00 -1.26 -0.34 105.19 110.96 1kuf n GLY 111 Ca 0.00 -0.74 -0.16 0.00 0.00 0.00 0.00 46.02 45.12 1kuf n GLY 111 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1kuf s TRP 112 N -2.00 -0.61 0.08 1.61 -0.00 -0.25 -4.99 118.94 112.78 1kuf s TRP 112 Ca 0.00 1.10 -0.25 0.00 -0.00 0.00 0.00 56.10 56.95 1kuf s TRP 112 Cb 0.00 0.40 0.06 0.00 -0.00 0.00 0.00 33.47 33.94 1kuf s TRP 112 CO 0.00 -0.53 0.60 0.00 -0.00 0.00 0.00 176.95 177.02 1kuf s ALA 113 N -1.01 -1.56 0.33 5.86 0.00 -1.26 -1.22 121.76 122.90 1kuf s ALA 113 Ca -0.08 0.69 -0.28 0.00 0.00 0.00 0.00 51.96 52.30 1kuf s ALA 113 Cb -0.01 0.56 -0.09 0.00 0.00 0.00 0.00 23.12 23.58 1kuf s ALA 113 CO 0.07 -0.61 1.14 0.71 0.00 0.00 0.00 175.76 177.07 1kuf s TYR 114 N -2.87 3.34 -0.08 0.00 2.02 -1.25 -4.86 117.35 113.65 1kuf s TYR 114 Ca -0.03 1.61 -0.26 0.00 -0.37 0.00 0.00 57.07 58.03 1kuf s TYR 114 Cb -0.01 -3.36 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1kuf s TYR 114 CO -0.05 -0.95 0.81 0.08 -1.57 0.00 0.00 175.55 173.87 1kuf s VAL 115 N -1.27 4.95 -1.30 0.71 1.01 -1.26 -3.22 120.40 120.01 1kuf s VAL 115 Ca 0.50 1.66 0.00 0.00 0.00 0.00 0.00 61.98 64.13 1kuf s VAL 115 Cb -0.32 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1kuf s VAL 115 CO 0.41 0.16 0.00 0.61 0.00 0.00 0.00 175.10 176.28 1kuf n GLY 116 N 3.17 0.97 1.47 4.51 0.00 0.21 -4.87 105.19 110.64 1kuf n GLY 116 Ca 0.02 -0.40 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1kuf n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kuf n ARG 117 N -2.52 3.54 -1.62 1.61 5.12 -0.99 -4.81 116.66 116.99 1kuf n ARG 117 Ca -0.14 -3.03 -0.47 0.00 -1.93 0.00 0.00 57.85 52.29 1kuf n ARG 117 Cb 0.48 -2.05 -0.03 0.00 -1.16 0.00 0.00 32.46 29.69 1kuf n ARG 117 CO 0.00 0.00 0.00 -0.12 -1.93 0.00 0.00 177.63 175.58 1kuf n MET 118 N -0.19 1.54 0.00 5.56 0.00 -0.74 -1.30 117.12 121.99 1kuf n MET 118 Ca 0.29 0.55 0.00 0.00 -0.00 0.00 0.00 57.70 58.54 1kuf n MET 118 Cb 1.12 -2.10 0.00 0.00 0.00 0.00 0.00 33.22 32.24 1kuf n MET 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1kuf s ASP 120 N -0.84 6.34 0.36 0.00 -1.08 -0.42 -4.87 116.67 116.16 1kuf s ASP 120 Ca 0.00 3.00 0.05 0.00 -0.52 0.00 0.00 52.55 55.08 1kuf s ASP 120 Cb 0.00 -2.64 0.72 0.00 -1.46 0.00 0.00 42.92 39.54 1kuf s ASP 120 CO 0.00 -0.93 1.96 -0.33 0.52 0.00 0.00 175.17 176.39 1kuf h GLU 121 N 4.52 0.75 0.00 4.34 5.08 -1.95 -1.80 114.58 125.53 1kuf h GLU 121 Ca -0.48 -0.05 -0.38 0.00 -1.00 0.00 0.00 59.36 57.46 1kuf h GLU 121 Cb 1.22 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 30.23 1kuf h GLU 121 CO 0.77 0.50 -2.43 1.17 -1.00 0.00 0.00 179.01 178.02 1kuf n LYS 122 N -4.47 0.68 -0.10 2.33 4.81 -1.26 -3.97 118.16 116.17 1kuf n LYS 122 Ca 0.10 0.08 0.12 0.00 -0.87 0.00 0.00 58.31 57.74 1kuf n LYS 122 Cb 0.20 -1.51 0.21 0.00 0.02 0.00 0.00 35.03 33.95 1kuf n LYS 122 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1kuf n TYR 123 N -3.03 0.26 -2.07 5.64 4.02 -1.21 -4.44 117.16 116.33 1kuf n TYR 123 Ca -0.40 -0.13 -0.41 0.00 -0.01 0.00 0.00 57.90 56.95 1kuf n TYR 123 Cb 1.06 0.00 -0.00 0.00 -0.02 0.00 0.00 39.34 40.37 1kuf n TYR 123 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1kuf n SER 124 N 1.24 6.63 -4.04 7.72 2.88 -0.68 -4.52 113.62 122.84 1kuf n SER 124 Ca 0.17 -3.07 -0.09 0.00 -1.33 0.00 0.00 58.87 54.55 1kuf n SER 124 Cb 0.56 -1.44 -0.09 0.00 -0.75 0.00 0.00 64.21 62.49 1kuf n SER 124 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1kuf s VAL 125 N -0.02 0.11 0.06 2.46 -7.23 -1.26 -1.52 120.40 112.99 1kuf s VAL 125 Ca 0.49 -1.64 -0.11 0.00 -1.81 0.00 0.00 61.98 58.91 1kuf s VAL 125 Cb 0.14 -1.84 0.01 0.00 0.56 0.00 0.00 36.38 35.25 1kuf s VAL 125 CO -0.05 -0.49 0.23 0.00 -0.31 0.00 0.00 175.10 174.48 1kuf s ALA 126 N -3.99 -0.43 -0.01 1.32 0.00 -0.68 -3.81 121.76 114.16 1kuf s ALA 126 Ca 0.18 -0.30 0.07 0.00 0.00 0.00 0.00 51.96 51.90 1kuf s ALA 126 Cb 0.06 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 1kuf s ALA 126 CO -0.02 -0.43 -0.23 0.14 0.00 0.00 0.00 175.76 175.22 1kuf s VAL 127 N -3.02 1.82 -0.02 0.00 -7.23 -0.36 -1.30 120.40 110.30 1kuf s VAL 127 Ca -0.02 -1.01 0.00 0.00 -1.81 0.00 0.00 61.98 59.15 1kuf s VAL 127 Cb 0.01 -1.52 0.02 0.00 0.56 0.00 0.00 36.38 35.45 1kuf s VAL 127 CO -0.06 0.50 0.01 -0.69 -0.31 0.00 0.00 175.10 174.55 1kuf s VAL 128 N -0.56 0.03 0.10 1.32 1.01 0.16 -1.09 120.40 121.37 1kuf s VAL 128 Ca 0.09 0.12 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 1kuf s VAL 128 Cb -0.09 -0.13 -0.07 0.00 0.00 0.00 0.00 36.38 36.10 1kuf s VAL 128 CO -0.01 0.09 0.76 -0.75 0.00 0.00 0.00 175.10 175.19 1kuf s LYS 129 N 0.79 4.51 -1.42 2.72 2.20 0.54 -1.40 119.74 127.69 1kuf s LYS 129 Ca -0.07 1.09 -0.15 0.00 -0.36 0.00 0.00 55.97 56.48 1kuf s LYS 129 Cb -0.10 -3.31 0.05 0.00 -1.51 0.00 0.00 37.83 32.95 1kuf s LYS 129 CO -0.02 0.43 2.11 -3.47 -0.36 0.00 0.00 175.35 174.04 1kuf n ASP 130 N 2.21 4.13 -0.44 1.43 4.64 0.81 -4.73 116.55 124.61 1kuf n ASP 130 Ca -0.04 -2.86 0.07 0.00 -1.38 0.00 0.00 54.79 50.58 1kuf n ASP 130 Cb 0.50 -1.68 0.27 0.00 -1.04 0.00 0.00 41.12 39.17 1kuf n ASP 130 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1kuf n HIS 131 N 6.68 0.25 -3.67 -0.67 1.44 -1.26 -4.84 115.22 113.15 1kuf n HIS 131 Ca 0.51 -0.12 -0.15 0.00 -2.01 0.00 0.00 57.72 55.95 1kuf n HIS 131 Cb 0.41 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.44 1kuf n HIS 131 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 1kuf s SER 132 N -1.29 -0.35 0.51 4.39 0.15 -1.26 -5.00 113.70 110.84 1kuf s SER 132 Ca 0.24 0.28 0.30 0.00 0.70 0.00 0.00 55.95 57.48 1kuf s SER 132 Cb 0.13 0.40 1.04 0.00 -1.71 0.00 0.00 66.02 65.88 1kuf s SER 132 CO 0.19 -0.52 1.87 0.77 1.20 0.00 0.00 173.24 176.74 1kuf h SER 133 N 3.50 0.00 -3.27 5.45 4.64 -2.03 -3.43 113.55 118.42 1kuf h SER 133 Ca -0.29 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.46 1kuf h SER 133 Cb 1.17 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 63.20 1kuf h SER 133 CO 0.40 0.02 0.95 -0.54 -0.87 0.00 0.00 176.83 176.79 1kuf s LYS 134 N -3.53 3.88 0.25 4.77 1.02 -1.26 -4.91 119.74 119.95 1kuf s LYS 134 Ca 0.03 1.08 -0.04 0.00 0.02 0.00 0.00 55.97 57.06 1kuf s LYS 134 Cb 0.08 -3.87 0.47 0.00 -0.52 0.00 0.00 37.83 33.98 1kuf s LYS 134 CO 0.59 -1.17 1.72 0.28 -0.92 0.00 0.00 175.35 175.85 1kuf h VAL 135 N 6.01 0.62 -0.74 3.17 2.07 -1.99 -1.30 116.25 124.09 1kuf h VAL 135 Ca -0.25 -0.14 0.07 0.00 0.82 0.00 0.00 66.70 67.20 1kuf h VAL 135 Cb 1.09 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 30.98 1kuf h VAL 135 CO 1.05 0.07 0.43 0.15 0.02 0.00 0.00 177.57 179.30 1kuf h PHE 136 N 0.40 0.79 -0.39 1.57 3.57 -1.94 -0.51 116.94 120.43 1kuf h PHE 136 Ca 0.42 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.87 1kuf h PHE 136 Cb 0.66 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 1kuf h PHE 136 CO -0.19 0.38 -0.05 0.52 -2.23 0.00 0.00 178.31 176.74 1kuf h MET 137 N 0.78 0.65 -0.10 1.11 2.86 -1.63 0.61 114.93 119.21 1kuf h MET 137 Ca 0.33 -0.18 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 1kuf h MET 137 Cb 0.21 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1kuf h MET 137 CO -0.19 0.70 -0.74 0.28 1.06 0.00 0.00 176.91 178.03 1kuf h VAL 138 N 0.60 1.36 -0.32 -2.22 2.07 -1.25 -2.92 116.25 113.57 1kuf h VAL 138 Ca 0.12 -2.10 -0.09 0.00 0.82 0.00 0.00 66.70 65.45 1kuf h VAL 138 Cb 0.46 2.08 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1kuf h VAL 138 CO 0.02 0.64 -0.17 0.00 0.02 0.00 0.00 177.57 178.08 1kuf h ALA 139 N 0.86 1.12 -0.73 1.67 0.00 -0.61 -0.48 119.26 121.08 1kuf h ALA 139 Ca -0.03 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1kuf h ALA 139 Cb 1.32 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.94 1kuf h ALA 139 CO 0.13 0.55 0.48 0.28 0.00 0.00 0.00 179.25 180.69 1kuf h VAL 140 N 0.52 1.19 -0.64 0.00 2.07 -0.81 0.27 116.25 118.84 1kuf h VAL 140 Ca 0.09 -0.35 -0.09 0.00 0.82 0.00 0.00 66.70 67.17 1kuf h VAL 140 Cb 0.59 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 30.45 1kuf h VAL 140 CO 0.04 0.18 0.05 0.74 0.02 0.00 0.00 177.57 178.60 1kuf h THR 141 N 0.99 1.27 -0.82 2.57 2.02 -1.15 0.23 112.91 118.01 1kuf h THR 141 Ca 0.27 -1.11 -0.02 0.00 0.77 0.00 0.00 66.41 66.32 1kuf h THR 141 Cb -0.11 0.71 -0.04 0.00 -1.74 0.00 0.00 68.15 66.97 1kuf h THR 141 CO -0.06 0.41 0.45 0.24 0.37 0.00 0.00 175.52 176.93 1kuf h MET 142 N 1.02 1.14 -0.21 6.66 2.86 -0.78 -0.86 114.93 124.75 1kuf h MET 142 Ca 0.19 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.58 1kuf h MET 142 Cb 0.51 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 1kuf h MET 142 CO 0.02 0.84 -0.35 1.15 1.06 0.00 0.00 176.91 179.63 1kuf h THR 143 N 1.14 1.29 -0.18 2.22 2.02 -0.36 -0.66 112.91 118.38 1kuf h THR 143 Ca 0.29 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 66.01 1kuf h THR 143 Cb 0.03 1.52 -0.01 0.00 -1.74 0.00 0.00 68.15 67.95 1kuf h THR 143 CO -0.05 0.45 0.08 -0.74 0.37 0.00 0.00 175.52 175.63 1kuf h HIS 144 N 0.38 0.27 -0.49 3.16 6.17 -0.03 0.17 115.15 124.78 1kuf h HIS 144 Ca 0.04 -0.02 -0.11 0.00 0.71 0.00 0.00 60.37 60.99 1kuf h HIS 144 Cb 0.80 -0.08 -0.02 0.00 2.52 0.00 0.00 27.41 30.63 1kuf h HIS 144 CO 0.03 0.32 -0.14 0.93 0.71 0.00 0.00 177.93 179.78 1kuf h GLU 145 N 0.14 0.93 -0.79 5.26 4.39 -1.05 -1.32 114.58 122.15 1kuf h GLU 145 Ca 0.06 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.45 1kuf h GLU 145 Cb 0.16 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.70 1kuf h GLU 145 CO -0.01 1.01 0.50 1.25 -1.16 0.00 0.00 179.01 180.60 1kuf h LEU 146 N 0.83 0.83 -0.31 1.33 5.85 -0.91 -1.47 115.31 121.45 1kuf h LEU 146 Ca 0.13 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.86 1kuf h LEU 146 Cb 0.68 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 1kuf h LEU 146 CO 0.05 0.57 0.18 1.23 -0.34 0.00 0.00 178.44 180.12 1kuf h GLY 147 N 0.97 0.43 0.69 3.75 0.00 0.08 -0.30 103.07 108.68 1kuf h GLY 147 Ca 0.32 -0.13 0.06 0.00 0.00 0.00 0.00 47.33 47.58 1kuf h GLY 147 CO -0.12 0.12 0.44 0.45 0.00 0.00 0.00 176.54 177.43 1kuf h HIS 148 N 0.37 0.80 0.00 5.60 3.86 -0.88 -0.66 115.15 124.24 1kuf h HIS 148 Ca 0.12 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 1kuf h HIS 148 Cb 0.01 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.23 1kuf h HIS 148 CO -0.08 0.39 -0.02 -0.97 0.86 0.00 0.00 177.93 178.11 1kuf h ASN 149 N 0.79 0.00 -0.42 2.45 -0.00 -0.18 0.11 115.58 118.33 1kuf h ASN 149 Ca 0.33 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.63 1kuf h ASN 149 Cb 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.51 1kuf h ASN 149 CO -0.18 0.02 0.00 0.18 -0.00 0.00 0.00 177.43 177.44 1kuf n LEU 150 N -3.15 4.14 0.00 0.34 4.77 -0.24 -1.79 117.00 121.07 1kuf n LEU 150 Ca -0.01 -2.10 0.00 0.00 -0.03 0.00 0.00 56.01 53.87 1kuf n LEU 150 Cb 0.21 -0.60 0.00 0.00 -2.33 0.00 0.00 43.42 40.71 1kuf n LEU 150 CO 0.25 0.54 0.00 0.61 -1.33 0.00 0.00 177.39 177.46 1kuf n GLY 151 N 0.55 0.72 3.83 -0.72 0.00 -0.20 -4.55 105.19 104.82 1kuf n GLY 151 Ca 0.19 -0.05 -0.37 0.00 0.00 0.00 0.00 46.02 45.79 1kuf n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1kuf s MET 152 N -0.50 4.07 0.54 1.61 -1.94 -0.54 -4.79 119.30 117.75 1kuf s MET 152 Ca 0.00 0.58 0.07 0.00 -1.71 0.00 0.00 55.69 54.64 1kuf s MET 152 Cb 0.00 -3.13 0.05 0.00 2.01 0.00 0.00 34.83 33.76 1kuf s MET 152 CO 0.00 0.59 0.54 -1.21 -0.01 0.00 0.00 175.02 174.93 1kuf s GLU 153 N -1.40 2.30 0.70 2.03 0.41 -1.26 -4.10 118.70 117.37 1kuf s GLU 153 Ca 0.31 -1.85 -0.15 0.00 -0.41 0.00 0.00 54.97 52.87 1kuf s GLU 153 Cb -0.17 -2.31 0.02 0.00 -1.78 0.00 0.00 34.13 29.88 1kuf s GLU 153 CO 0.18 -0.66 1.18 -1.01 -0.49 0.00 0.00 175.26 174.45 1kuf s HIS 154 N -2.71 2.25 0.55 1.61 3.76 -1.26 -4.87 115.29 114.62 1kuf s HIS 154 Ca 0.45 1.58 -0.21 0.00 -0.15 0.00 0.00 55.06 56.73 1kuf s HIS 154 Cb -0.04 -3.38 -0.05 0.00 1.11 0.00 0.00 32.58 30.23 1kuf s HIS 154 CO 0.28 -2.30 1.29 -0.51 -0.85 0.00 0.00 174.74 172.65 1kuf s ASP 155 N -2.15 5.32 -0.06 1.40 1.01 -0.02 -4.98 116.67 117.18 1kuf s ASP 155 Ca 0.72 2.61 0.01 0.00 0.71 0.00 0.00 52.55 56.60 1kuf s ASP 155 Cb -0.27 -2.62 0.02 0.00 1.01 0.00 0.00 42.92 41.06 1kuf s ASP 155 CO 0.43 -1.52 -0.06 -0.62 0.21 0.00 0.00 175.17 173.61 1kuf s ASP 156 N -1.18 1.36 0.49 0.27 -1.08 -1.26 -4.71 116.67 110.57 1kuf s ASP 156 Ca 0.73 -0.18 0.18 0.00 -0.52 0.00 0.00 52.55 52.76 1kuf s ASP 156 Cb -0.36 -0.58 1.23 0.00 -1.46 0.00 0.00 42.92 41.75 1kuf s ASP 156 CO 0.42 -0.06 2.04 0.50 0.52 0.00 0.00 175.17 178.59 1kuf h LYS 157 N 7.42 0.14 -0.08 4.34 1.63 -1.92 -0.80 116.57 127.31 1kuf h LYS 157 Ca -0.33 -0.01 -0.14 0.00 -0.85 0.00 0.00 60.65 59.32 1kuf h LYS 157 Cb 1.15 -0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 32.74 1kuf h LYS 157 CO 0.43 0.09 -0.59 -0.44 -3.45 0.00 0.00 179.45 175.49 1kuf h ASP 158 N 0.15 0.28 0.65 4.20 3.32 -2.00 -3.29 116.42 119.73 1kuf h ASP 158 Ca 0.18 -0.16 -0.27 0.00 0.02 0.00 0.00 57.03 56.80 1kuf h ASP 158 Cb 0.53 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.97 1kuf h ASP 158 CO -0.02 0.81 -1.38 0.11 -1.72 0.00 0.00 179.24 177.04 1kuf h LYS 159 N 0.19 0.12 -2.78 3.56 1.57 -1.63 -3.48 116.57 114.11 1kuf h LYS 159 Ca -0.00 -0.20 -0.06 0.00 -1.87 0.00 0.00 60.65 58.52 1kuf h LYS 159 Cb 1.09 0.07 -0.16 0.00 0.08 0.00 0.00 32.23 33.32 1kuf h LYS 159 CO 0.09 0.95 0.06 0.00 -0.57 0.00 0.00 179.45 179.98 1kuf h LYS 161 N 2.69 0.00 -6.55 0.00 1.79 -1.85 -3.33 116.57 109.32 1kuf h LYS 161 Ca -0.31 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.63 1kuf h LYS 161 Cb 1.22 0.00 0.04 0.00 -1.58 0.00 0.00 32.23 31.91 1kuf h LYS 161 CO 0.41 0.00 0.98 0.00 -1.08 0.00 0.00 179.45 179.76 1kuf n ASP 163 N 4.79 0.30 -0.44 0.00 8.00 -1.26 -4.55 116.55 123.39 1kuf n ASP 163 Ca 0.16 -0.25 0.05 0.00 0.71 0.00 0.00 54.79 55.45 1kuf n ASP 163 Cb 0.38 1.67 0.08 0.00 -0.02 0.00 0.00 41.12 43.23 1kuf n ASP 163 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1kuf n THR 164 N -2.07 1.02 -1.54 -3.53 -2.24 -1.26 -4.91 114.28 99.75 1kuf n THR 164 Ca -0.02 -1.40 -0.29 0.00 -2.27 0.00 0.00 64.05 60.07 1kuf n THR 164 Cb 0.50 0.17 0.17 0.00 -2.10 0.00 0.00 70.33 69.07 1kuf n THR 164 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kuf h ILE 166 N -1.77 0.78 -0.39 0.00 2.04 -1.31 -1.59 117.51 115.27 1kuf h ILE 166 Ca -0.47 -0.25 -0.09 0.00 1.00 0.00 0.00 64.86 65.05 1kuf h ILE 166 Cb 1.30 -0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 1kuf h ILE 166 CO 0.49 0.13 0.11 0.23 0.00 0.00 0.00 178.15 179.12 1kuf n MET 167 N -4.80 2.71 -1.81 2.37 2.81 -1.26 -4.68 117.12 112.45 1kuf n MET 167 Ca 0.18 -1.72 -0.38 0.00 -1.81 0.00 0.00 57.70 53.96 1kuf n MET 167 Cb 0.41 -1.84 0.04 0.00 -0.71 0.00 0.00 33.22 31.12 1kuf n MET 167 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1kuf s SER 168 N -0.38 5.38 0.36 7.83 0.15 -0.60 -0.84 113.70 125.60 1kuf s SER 168 Ca 0.31 2.76 0.07 0.00 0.70 0.00 0.00 55.95 59.78 1kuf s SER 168 Cb 0.24 -2.64 0.77 0.00 -1.71 0.00 0.00 66.02 62.69 1kuf s SER 168 CO 0.08 -1.50 1.94 0.00 1.20 0.00 0.00 173.24 174.96 1kuf h ALA 169 N 1.58 1.75 -3.58 5.45 0.00 -1.91 -3.42 119.26 119.13 1kuf h ALA 169 Ca -0.51 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 53.96 1kuf h ALA 169 Cb 1.29 -0.17 -0.23 0.00 0.00 0.00 0.00 17.79 18.68 1kuf h ALA 169 CO 0.58 0.10 -0.79 0.08 0.00 0.00 0.00 179.25 179.22 1kuf s VAL 170 N -5.66 1.11 0.64 0.00 1.01 -1.26 -5.12 120.40 111.11 1kuf s VAL 170 Ca -0.10 -1.15 -0.09 0.00 0.00 0.00 0.00 61.98 60.64 1kuf s VAL 170 Cb 0.20 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.54 1kuf s VAL 170 CO 0.77 -0.11 1.00 -0.51 0.00 0.00 0.00 175.10 176.25 1kuf s ILE 171 N -1.06 3.89 0.21 2.22 2.07 -1.26 -5.07 121.20 122.20 1kuf s ILE 171 Ca -0.00 0.40 -0.21 0.00 -1.41 0.00 0.00 60.65 59.42 1kuf s ILE 171 Cb -0.09 -3.58 0.05 0.00 0.13 0.00 0.00 42.46 38.97 1kuf s ILE 171 CO 0.02 -0.70 0.63 -0.94 -1.91 0.00 0.00 174.94 172.03 1kuf s SER 172 N -4.29 -0.42 0.50 4.50 1.04 -1.26 -5.05 113.70 108.73 1kuf s SER 172 Ca 0.55 -0.28 0.18 0.00 0.48 0.00 0.00 55.95 56.89 1kuf s SER 172 Cb -0.11 0.64 1.23 0.00 0.10 0.00 0.00 66.02 67.89 1kuf s SER 172 CO 0.50 -1.11 2.04 -2.24 0.98 0.00 0.00 173.24 173.41 1kuf h ASP 173 N 2.03 0.12 -0.19 7.02 3.04 -2.02 -1.03 116.42 125.39 1kuf h ASP 173 Ca -0.28 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.51 1kuf h ASP 173 Cb 1.28 -0.02 0.00 0.00 -1.04 0.00 0.00 39.33 39.55 1kuf h ASP 173 CO 0.33 0.08 0.00 2.29 -2.04 0.00 0.00 179.24 179.89 1kuf n LYS 174 N -4.46 1.88 -1.54 4.15 2.85 -1.26 -4.94 118.16 114.84 1kuf n LYS 174 Ca 0.05 -0.86 -0.55 0.00 -1.05 0.00 0.00 58.31 55.90 1kuf n LYS 174 Cb 0.35 -1.50 -0.07 0.00 -0.65 0.00 0.00 35.03 33.17 1kuf n LYS 174 CO 0.00 0.00 0.00 0.94 -0.05 0.00 0.00 177.40 178.29 1kuf n GLN 175 N 0.16 0.58 -3.74 -1.58 -0.06 -0.39 -4.91 117.38 107.44 1kuf n GLN 175 Ca 0.08 0.21 -0.27 0.00 -2.00 0.00 0.00 57.00 55.02 1kuf n GLN 175 Cb 0.39 -1.74 -0.03 0.00 -4.06 0.00 0.00 30.24 24.79 1kuf n GLN 175 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 1kuf s SER 176 N 0.15 6.37 0.00 1.69 0.15 0.34 -5.00 113.70 117.40 1kuf s SER 176 Ca 0.85 0.34 0.18 0.00 0.70 0.00 0.00 55.95 58.02 1kuf s SER 176 Cb -1.09 -1.98 0.67 0.00 -1.71 0.00 0.00 66.02 61.91 1kuf s SER 176 CO 0.52 -0.04 1.48 2.29 1.20 0.00 0.00 173.24 178.70 1kuf n LYS 177 N -0.72 1.63 -3.67 5.44 2.85 -1.26 -4.20 118.16 118.22 1kuf n LYS 177 Ca -0.05 -0.95 -0.32 0.00 -1.05 0.00 0.00 58.31 55.93 1kuf n LYS 177 Cb 0.54 -1.34 -0.05 0.00 -0.65 0.00 0.00 35.03 33.53 1kuf n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1kuf s LEU 178 N -1.42 4.29 0.11 -5.58 1.43 -1.26 -4.72 118.68 111.52 1kuf s LEU 178 Ca 0.29 0.60 -0.21 0.00 -1.03 0.00 0.00 54.13 53.78 1kuf s LEU 178 Cb 0.15 -3.21 -0.07 0.00 0.03 0.00 0.00 46.19 43.09 1kuf s LEU 178 CO 0.22 0.09 0.64 -0.36 0.23 0.00 0.00 176.35 177.17 1kuf s PHE 179 N -1.59 3.84 0.96 0.29 0.08 -1.26 -1.16 117.98 119.14 1kuf s PHE 179 Ca 0.39 1.39 -0.14 0.00 0.12 0.00 0.00 56.93 58.70 1kuf s PHE 179 Cb -0.12 -2.59 0.17 0.00 -0.57 0.00 0.00 43.02 39.91 1kuf s PHE 179 CO 0.23 0.56 1.15 -1.54 -0.10 0.00 0.00 175.22 175.53 1kuf s SER 180 N -1.13 3.06 0.44 1.36 1.04 -1.26 -4.85 113.70 112.35 1kuf s SER 180 Ca 0.31 0.85 0.21 0.00 0.48 0.00 0.00 55.95 57.81 1kuf s SER 180 Cb -0.21 -1.32 1.00 0.00 0.10 0.00 0.00 66.02 65.59 1kuf s SER 180 CO 0.21 -2.82 1.89 -0.78 0.98 0.00 0.00 173.24 172.72 1kuf h ASP 181 N -1.69 0.00 -0.27 7.02 3.58 -1.96 -1.64 116.42 121.47 1kuf h ASP 181 Ca -0.49 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 56.95 1kuf h ASP 181 Cb 1.32 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.35 1kuf h ASP 181 CO 0.55 0.26 0.16 0.00 -2.88 0.00 0.00 179.24 177.33 1kuf h SER 183 N 0.33 0.61 -0.77 0.00 0.02 -1.79 -0.97 113.55 110.98 1kuf h SER 183 Ca 0.10 -0.24 -0.05 0.00 -0.84 0.00 0.00 61.79 60.75 1kuf h SER 183 Cb 0.03 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.38 1kuf h SER 183 CO -0.02 0.69 0.28 0.11 -1.14 0.00 0.00 176.83 176.76 1kuf h LYS 184 N 0.50 1.16 -0.71 3.45 1.57 -1.18 -0.60 116.57 120.76 1kuf h LYS 184 Ca 0.12 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.61 1kuf h LYS 184 Cb 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1kuf h LYS 184 CO 0.00 0.96 0.16 -0.44 -0.57 0.00 0.00 179.45 179.57 1kuf h ASP 185 N 1.12 1.08 -0.61 0.86 3.32 -0.81 -0.48 116.42 120.90 1kuf h ASP 185 Ca 0.25 -0.23 -0.04 0.00 0.02 0.00 0.00 57.03 57.03 1kuf h ASP 185 Cb 0.25 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.49 1kuf h ASP 185 CO -0.02 1.03 0.24 1.88 -1.72 0.00 0.00 179.24 180.66 1kuf h TYR 186 N 1.07 0.97 -0.54 4.55 0.99 -0.75 -1.87 116.97 121.39 1kuf h TYR 186 Ca 0.22 -0.07 -0.11 0.00 2.00 0.00 0.00 58.73 60.78 1kuf h TYR 186 Cb 0.38 -0.29 -0.02 0.00 1.00 0.00 0.00 36.73 37.80 1kuf h TYR 186 CO 0.03 0.75 -0.09 -0.92 -0.00 0.00 0.00 178.16 177.93 1kuf h TYR 187 N 0.93 1.11 -0.60 4.88 3.20 -0.57 -0.53 116.97 125.39 1kuf h TYR 187 Ca 0.22 -0.22 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 1kuf h TYR 187 Cb 0.21 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.17 1kuf h TYR 187 CO 0.02 1.02 0.37 0.37 -1.64 0.00 0.00 178.16 178.30 1kuf h GLN 188 N 0.89 0.81 -0.78 1.82 5.75 -0.72 0.02 115.11 122.90 1kuf h GLN 188 Ca 0.14 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.57 1kuf h GLN 188 Cb 0.65 -0.17 -0.04 0.00 1.07 0.00 0.00 27.48 28.98 1kuf h GLN 188 CO 0.04 0.56 0.47 1.15 -2.65 0.00 0.00 178.83 178.41 1kuf h THR 189 N 0.81 1.22 -0.52 2.39 2.02 -0.98 -0.64 112.91 117.21 1kuf h THR 189 Ca 0.22 -0.48 -0.04 0.00 0.77 0.00 0.00 66.41 66.87 1kuf h THR 189 Cb -0.05 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.47 1kuf h THR 189 CO -0.04 0.23 0.16 0.15 0.37 0.00 0.00 175.52 176.39 1kuf h PHE 190 N 1.07 0.83 -0.03 3.16 3.57 -0.55 0.20 116.94 125.19 1kuf h PHE 190 Ca 0.28 -0.08 -0.09 0.00 3.53 0.00 0.00 57.97 61.61 1kuf h PHE 190 Cb -0.04 -0.24 -0.01 0.00 2.79 0.00 0.00 35.95 38.45 1kuf h PHE 190 CO -0.01 0.71 -0.41 -0.07 -2.23 0.00 0.00 178.31 176.31 1kuf h LEU 191 N 0.70 0.06 0.08 0.59 3.38 -0.64 0.13 115.31 119.61 1kuf h LEU 191 Ca 0.17 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 1kuf h LEU 191 Cb 0.27 -0.02 0.02 0.00 0.09 0.00 0.00 40.66 41.02 1kuf h LEU 191 CO -0.01 0.46 -0.70 0.74 0.09 0.00 0.00 178.44 179.03 1kuf h THR 192 N 0.05 1.49 0.00 0.22 2.02 -0.76 -3.26 112.91 112.67 1kuf h THR 192 Ca 0.00 -2.35 -0.25 0.00 0.77 0.00 0.00 66.41 64.58 1kuf h THR 192 Cb 0.75 2.98 -0.04 0.00 -1.74 0.00 0.00 68.15 70.10 1kuf h THR 192 CO 0.06 0.67 -1.62 0.59 0.37 0.00 0.00 175.52 175.58 1kuf n ASN 193 N -4.19 0.85 -0.03 4.18 3.02 0.68 -4.71 115.26 115.06 1kuf n ASN 193 Ca -0.12 0.39 -0.07 0.00 -0.03 0.00 0.00 54.58 54.75 1kuf n ASN 193 Cb 0.75 0.04 -0.02 0.00 -0.61 0.00 0.00 39.78 39.94 1kuf n ASN 193 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1kuf n ASP 194 N -2.98 1.40 -3.85 6.41 4.64 0.28 -5.05 116.55 117.40 1kuf n ASP 194 Ca -0.15 0.22 -0.36 0.00 -1.38 0.00 0.00 54.79 53.13 1kuf n ASP 194 Cb 0.98 -0.51 0.03 0.00 -1.04 0.00 0.00 41.12 40.58 1kuf n ASP 194 CO 0.00 0.00 0.00 -3.20 -0.82 0.00 0.00 177.20 173.18 1kuf n ASN 195 N -3.89 -4.27 -4.76 1.67 5.15 -0.23 -4.86 115.26 104.06 1kuf n ASN 195 Ca -0.12 -1.11 -0.41 0.00 -0.60 0.00 0.00 54.58 52.34 1kuf n ASN 195 Cb 0.36 -2.79 -0.01 0.00 -0.53 0.00 0.00 39.78 36.82 1kuf n ASN 195 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1kuf n PRO 196 N -4.48 2.69 -0.01 1.20 -0.04 -1.26 -4.93 135.00 128.16 1kuf n PRO 196 Ca -0.13 0.95 -0.03 0.00 -0.04 0.00 0.00 63.50 64.25 1kuf n PRO 196 Cb 0.60 -2.70 0.22 0.00 -0.04 0.00 0.00 33.50 31.57 1kuf n PRO 196 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1kuf h GLN 197 N 3.72 0.55 0.00 0.54 5.75 -1.94 -3.25 115.11 120.49 1kuf h GLN 197 Ca -0.49 -0.17 -0.01 0.00 -0.15 0.00 0.00 58.65 57.83 1kuf h GLN 197 Cb 1.23 -0.05 -0.00 0.00 1.07 0.00 0.00 27.48 29.73 1kuf h GLN 197 CO 0.70 0.68 -0.03 0.00 -2.65 0.00 0.00 178.83 177.53 1kuf n ILE 199 N -4.14 0.09 0.10 0.00 -5.35 -1.22 -2.86 119.36 105.98 1kuf n ILE 199 Ca -0.03 -0.25 0.10 0.00 -0.27 0.00 0.00 62.75 62.30 1kuf n ILE 199 Cb 0.12 0.29 -0.01 0.00 -1.74 0.00 0.00 39.64 38.30 1kuf n ILE 199 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1kuf n LEU 200 N 0.07 0.84 -4.58 7.28 4.77 -0.38 -0.62 117.00 124.38 1kuf n LEU 200 Ca 0.18 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 56.06 1kuf n LEU 200 Cb 0.30 -0.05 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1kuf n LEU 200 CO 0.15 -0.15 0.81 0.20 -1.33 0.00 0.00 177.39 177.06 1kuf s ASN 201 N -5.39 6.54 0.53 -1.43 0.01 -1.13 -4.85 114.94 109.21 1kuf s ASN 201 Ca -0.01 0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 52.17 1kuf s ASN 201 Cb 0.10 -2.47 -0.06 0.00 0.41 0.00 0.00 41.25 39.22 1kuf s ASN 201 CO 0.79 -1.09 1.11 0.00 -1.51 0.00 0.00 177.10 176.41 1kuf s ALA 202 N 3.90 2.73 -1.71 0.60 0.00 -1.26 -4.77 121.76 121.25 1kuf s ALA 202 Ca 0.40 0.78 0.00 0.00 0.00 0.00 0.00 51.96 53.13 1kuf s ALA 202 Cb -0.10 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.69 1kuf s ALA 202 CO 0.27 -0.67 0.43 -2.30 0.00 0.00 0.00 175.76 173.49