#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nuu s ARG 4 N 0.00 4.01 -0.12 4.33 0.52 -1.26 -4.99 118.95 121.43 1nuu s ARG 4 Ca 0.00 1.41 -0.25 0.00 -0.52 0.00 0.00 55.73 56.37 1nuu s ARG 4 Cb 0.00 -2.31 -0.02 0.00 0.52 0.00 0.00 34.95 33.13 1nuu s ARG 4 CO 0.00 -0.26 0.80 0.42 0.02 0.00 0.00 175.30 176.28 1nuu s ILE 5 N -1.84 4.94 0.19 1.52 1.01 -0.33 -4.72 121.20 121.96 1nuu s ILE 5 Ca 0.62 1.60 -0.30 0.00 0.00 0.00 0.00 60.65 62.57 1nuu s ILE 5 Cb -0.18 -4.12 -0.09 0.00 0.01 0.00 0.00 42.46 38.08 1nuu s ILE 5 CO 0.23 0.11 1.38 -2.84 0.00 0.00 0.00 174.94 173.82 1nuu s PRO 6 N 1.61 4.33 0.01 2.79 0.02 -1.26 -1.08 135.00 141.42 1nuu s PRO 6 Ca 0.39 2.15 0.04 0.00 0.02 0.00 0.00 61.00 63.60 1nuu s PRO 6 Cb -0.17 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.15 1nuu s PRO 6 CO 0.16 -0.36 -0.13 0.08 -0.33 0.00 0.00 177.00 176.42 1nuu s VAL 7 N 0.35 1.03 -0.09 3.83 1.01 -0.50 0.57 120.40 126.61 1nuu s VAL 7 Ca 0.60 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.90 1nuu s VAL 7 Cb -0.38 -0.89 -0.00 0.00 0.00 0.00 0.00 36.38 35.10 1nuu s VAL 7 CO 0.37 0.17 -0.23 -0.69 0.00 0.00 0.00 175.10 174.72 1nuu s VAL 8 N -0.52 2.00 -0.19 2.92 1.01 -0.38 -0.30 120.40 124.93 1nuu s VAL 8 Ca 0.03 -1.00 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 1nuu s VAL 8 Cb -0.06 -1.72 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1nuu s VAL 8 CO 0.00 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 174.96 1nuu s LEU 9 N 0.25 3.76 -0.20 3.92 1.43 -0.01 -1.73 118.68 126.11 1nuu s LEU 9 Ca -0.15 0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 52.96 1nuu s LEU 9 Cb -0.17 -1.96 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1nuu s LEU 9 CO 0.08 0.14 -0.08 -0.22 0.23 0.00 0.00 176.35 176.49 1nuu s LEU 10 N 0.60 2.73 -0.25 1.79 2.96 -0.53 0.44 118.68 126.42 1nuu s LEU 10 Ca 0.03 -0.43 -0.04 0.00 -0.22 0.00 0.00 54.13 53.47 1nuu s LEU 10 Cb -0.13 -1.67 0.00 0.00 0.50 0.00 0.00 46.19 44.89 1nuu s LEU 10 CO 0.01 0.01 -0.01 0.00 -1.32 0.00 0.00 176.35 175.04 1nuu s ALA 11 N 1.29 2.87 -0.12 5.97 0.00 0.63 0.35 121.76 132.74 1nuu s ALA 11 Ca 0.03 -1.31 -0.07 0.00 0.00 0.00 0.00 51.96 50.62 1nuu s ALA 11 Cb -0.14 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1nuu s ALA 11 CO -0.04 -0.65 0.13 0.00 0.00 0.00 0.00 175.76 175.20 1nuu n GLY 13 N 1.99 -1.27 0.13 0.00 0.00 -1.17 -4.98 105.19 99.88 1nuu n GLY 13 Ca -0.20 -1.02 -0.15 0.00 0.00 0.00 0.00 46.02 44.65 1nuu n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nuu h SER 14 N 0.00 0.40 -6.17 1.61 0.02 -1.94 0.24 113.55 107.71 1nuu h SER 14 Ca 0.00 -0.69 -0.41 0.00 -0.84 0.00 0.00 61.79 59.85 1nuu h SER 14 Cb 0.00 -0.12 0.09 0.00 0.14 0.00 0.00 62.40 62.51 1nuu h SER 14 CO 0.00 1.03 -0.92 0.49 -1.14 0.00 0.00 176.83 176.29 1nuu n PHE 15 N -4.40 -1.97 -3.28 3.45 3.01 -1.26 -4.42 117.46 108.59 1nuu n PHE 15 Ca -0.09 0.49 -0.26 0.00 1.01 0.00 0.00 57.45 58.60 1nuu n PHE 15 Cb 0.53 -3.47 -0.07 0.00 -0.01 0.00 0.00 39.48 36.46 1nuu n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nuu n ASN 16 N -2.68 3.45 -4.92 4.37 5.15 -1.26 -3.26 115.26 116.11 1nuu n ASN 16 Ca -0.09 -3.41 -0.21 0.00 -0.60 0.00 0.00 54.58 50.27 1nuu n ASN 16 Cb 0.59 -0.64 0.05 0.00 -0.53 0.00 0.00 39.78 39.25 1nuu n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nuu s PRO 17 N -2.56 2.35 0.49 1.20 0.04 -1.26 -4.84 135.00 130.42 1nuu s PRO 17 Ca 0.41 -1.07 -0.23 0.00 0.04 0.00 0.00 61.00 60.15 1nuu s PRO 17 Cb 0.19 -2.52 -0.07 0.00 0.04 0.00 0.00 34.50 32.14 1nuu s PRO 17 CO -0.05 -0.83 1.34 -1.50 0.04 0.00 0.00 177.00 175.99 1nuu s ILE 18 N -2.76 2.31 0.35 0.56 2.07 -1.20 -4.93 121.20 117.60 1nuu s ILE 18 Ca 0.60 0.25 0.03 0.00 -1.41 0.00 0.00 60.65 60.12 1nuu s ILE 18 Cb -0.08 -3.14 -0.05 0.00 0.13 0.00 0.00 42.46 39.32 1nuu s ILE 18 CO 0.39 0.01 0.08 0.42 -1.91 0.00 0.00 174.94 173.93 1nuu s THR 19 N -1.31 0.96 0.46 4.00 -4.23 -1.26 -4.77 115.64 109.49 1nuu s THR 19 Ca 0.66 -2.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.39 1nuu s THR 19 Cb -0.39 -2.62 0.26 0.00 1.34 0.00 0.00 72.50 71.09 1nuu s THR 19 CO 0.48 0.00 2.07 0.78 -0.54 0.00 0.00 174.62 177.41 1nuu h ASN 20 N 2.00 0.00 -0.25 3.99 2.35 -1.45 -2.57 115.58 119.64 1nuu h ASN 20 Ca -0.39 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.29 1nuu h ASN 20 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 1nuu h ASN 20 CO 0.65 0.12 -0.12 0.24 -1.65 0.00 0.00 177.43 176.68 1nuu h MET 21 N 0.00 0.53 -0.65 0.81 2.86 -1.92 0.16 114.93 116.72 1nuu h MET 21 Ca -0.00 -0.23 0.03 0.00 -2.06 0.00 0.00 59.70 57.43 1nuu h MET 21 Cb 0.27 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.87 1nuu h MET 21 CO 0.02 0.79 0.40 0.45 1.06 0.00 0.00 176.91 179.63 1nuu h HIS 22 N 0.26 0.76 -0.17 -0.22 3.86 -1.87 -1.50 115.15 116.27 1nuu h HIS 22 Ca 0.06 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.26 1nuu h HIS 22 Cb 0.63 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1nuu h HIS 22 CO 0.06 0.44 0.00 -0.07 0.86 0.00 0.00 177.93 179.22 1nuu h LEU 23 N 0.80 0.30 -1.28 2.43 3.38 -1.30 -2.90 115.31 116.74 1nuu h LEU 23 Ca 0.26 -0.30 0.15 0.00 0.09 0.00 0.00 57.88 58.08 1nuu h LEU 23 Cb 0.01 -0.08 -0.07 0.00 0.09 0.00 0.00 40.66 40.61 1nuu h LEU 23 CO -0.10 0.52 0.58 -0.09 0.09 0.00 0.00 178.44 179.44 1nuu h ARG 24 N 0.06 0.67 -0.71 1.13 9.65 -0.39 -1.29 114.38 123.50 1nuu h ARG 24 Ca 0.05 -0.04 0.13 0.00 -1.10 0.00 0.00 59.98 59.02 1nuu h ARG 24 Cb 0.37 -0.15 -0.09 0.00 -1.39 0.00 0.00 29.97 28.70 1nuu h ARG 24 CO 0.01 0.44 0.24 1.98 2.80 0.00 0.00 179.97 185.44 1nuu h MET 25 N 0.69 0.36 -0.40 0.20 4.05 -1.06 -1.34 114.93 117.43 1nuu h MET 25 Ca 0.46 -0.02 -0.01 0.00 -0.28 0.00 0.00 59.70 59.85 1nuu h MET 25 Cb 0.74 -0.08 -0.02 0.00 -0.80 0.00 0.00 31.60 31.44 1nuu h MET 25 CO -0.21 0.24 0.23 0.74 0.23 0.00 0.00 176.91 178.13 1nuu h PHE 26 N 0.37 0.54 -0.65 1.39 -1.00 -1.29 -1.73 116.94 114.57 1nuu h PHE 26 Ca 0.38 -0.01 -0.01 0.00 2.81 0.00 0.00 57.97 61.15 1nuu h PHE 26 Cb 0.58 -0.17 -0.03 0.00 3.61 0.00 0.00 35.95 39.94 1nuu h PHE 26 CO -0.20 0.40 0.37 0.93 -1.61 0.00 0.00 178.31 178.21 1nuu h GLU 27 N 0.51 0.90 -0.34 1.51 4.39 -1.29 -0.57 114.58 119.69 1nuu h GLU 27 Ca 0.14 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.69 1nuu h GLU 27 Cb 0.04 -0.18 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1nuu h GLU 27 CO -0.02 0.66 -0.02 0.28 -1.16 0.00 0.00 179.01 178.75 1nuu h VAL 28 N 0.89 1.26 -0.49 3.13 2.07 -1.19 -1.80 116.25 120.12 1nuu h VAL 28 Ca 0.23 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.74 1nuu h VAL 28 Cb 0.01 1.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1nuu h VAL 28 CO -0.04 0.33 0.29 0.00 0.02 0.00 0.00 177.57 178.17 1nuu h ALA 29 N 0.84 0.62 -0.18 1.67 0.00 -1.07 -0.55 119.26 120.60 1nuu h ALA 29 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1nuu h ALA 29 Cb 0.48 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1nuu h ALA 29 CO 0.02 0.12 0.08 -0.09 0.00 0.00 0.00 179.25 179.38 1nuu h ARG 30 N 0.65 0.26 -0.86 0.00 2.43 -1.02 -0.46 114.38 115.39 1nuu h ARG 30 Ca 0.17 -0.04 0.02 0.00 -0.81 0.00 0.00 59.98 59.32 1nuu h ARG 30 Cb 0.01 -0.04 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 1nuu h ARG 30 CO -0.03 0.31 0.56 -0.44 -1.51 0.00 0.00 179.97 178.85 1nuu h ASP 31 N 0.15 0.95 -0.18 -3.80 3.32 -1.17 -0.08 116.42 115.60 1nuu h ASP 31 Ca 0.06 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nuu h ASP 31 Cb 0.14 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1nuu h ASP 31 CO -0.01 0.67 0.08 -0.74 -1.72 0.00 0.00 179.24 177.53 1nuu h HIS 32 N 1.12 0.27 -0.59 4.55 -0.00 -0.75 -0.82 115.15 118.91 1nuu h HIS 32 Ca 0.33 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1nuu h HIS 32 Cb -0.06 -0.08 -0.03 0.00 -0.00 0.00 0.00 27.41 27.24 1nuu h HIS 32 CO -0.02 0.29 0.22 -0.07 -0.00 0.00 0.00 177.93 178.36 1nuu h LEU 33 N 0.16 0.80 -0.70 0.26 3.38 -0.70 -2.22 115.31 116.29 1nuu h LEU 33 Ca 0.06 -0.11 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 1nuu h LEU 33 Cb 0.13 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nuu h LEU 33 CO -0.01 0.73 -0.40 0.45 0.09 0.00 0.00 178.44 179.30 1nuu h HIS 34 N 0.85 0.62 -0.43 1.13 3.86 -0.86 -3.02 115.15 117.31 1nuu h HIS 34 Ca 0.20 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.23 1nuu h HIS 34 Cb 0.19 -0.13 -0.02 0.00 1.06 0.00 0.00 27.41 28.51 1nuu h HIS 34 CO 0.01 0.85 0.26 0.37 0.86 0.00 0.00 177.93 180.28 1nuu h GLN 35 N 0.43 0.58 0.00 2.45 5.75 -0.54 0.18 115.11 123.96 1nuu h GLN 35 Ca 0.04 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nuu h GLN 35 Cb 0.89 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 29.32 1nuu h GLN 35 CO 0.08 0.41 0.00 1.79 -2.65 0.00 0.00 178.83 178.45 1nuu h THR 36 N 0.59 0.00 0.00 2.39 1.35 -1.35 -3.45 112.91 112.44 1nuu h THR 36 Ca 0.16 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.87 1nuu h THR 36 Cb -0.02 1.02 0.00 0.00 -1.73 0.00 0.00 68.15 67.42 1nuu h THR 36 CO -0.03 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.85 1nuu n GLY 37 N -0.74 2.43 0.03 5.82 0.00 0.05 -4.84 105.19 107.94 1nuu n GLY 37 Ca -0.01 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.12 1nuu n GLY 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1nuu n MET 38 N -2.00 0.26 -4.30 1.61 2.81 -1.26 -4.81 117.12 109.44 1nuu n MET 38 Ca 0.00 -0.00 -0.16 0.00 -1.81 0.00 0.00 57.70 55.73 1nuu n MET 38 Cb 0.00 -1.59 -0.10 0.00 -0.71 0.00 0.00 33.22 30.82 1nuu n MET 38 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 1nuu s TYR 39 N -3.18 1.46 -0.25 2.03 1.51 -1.25 -1.19 117.35 116.48 1nuu s TYR 39 Ca 0.04 -0.74 -0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1nuu s TYR 39 Cb 0.15 -0.75 0.08 0.00 -0.11 0.00 0.00 41.96 41.33 1nuu s TYR 39 CO 0.80 0.14 0.04 -1.14 -1.11 0.00 0.00 175.55 174.28 1nuu s GLN 40 N -3.74 0.87 -0.08 -0.62 0.74 -0.24 -4.41 119.66 112.18 1nuu s GLN 40 Ca 0.21 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.51 1nuu s GLN 40 Cb 0.02 -2.17 -0.03 0.00 1.10 0.00 0.00 33.01 31.93 1nuu s GLN 40 CO 0.04 -0.78 1.33 0.08 -0.55 0.00 0.00 175.29 175.41 1nuu s VAL 41 N 1.66 4.05 -0.19 1.34 1.01 -1.26 -1.41 120.40 125.60 1nuu s VAL 41 Ca 0.03 1.34 0.14 0.00 0.00 0.00 0.00 61.98 63.48 1nuu s VAL 41 Cb -0.17 -3.86 -0.19 0.00 0.00 0.00 0.00 36.38 32.15 1nuu s VAL 41 CO -0.15 -0.06 0.37 2.30 0.00 0.00 0.00 175.10 177.57 1nuu n ILE 42 N 4.99 0.00 -3.52 2.22 -5.35 0.59 -4.88 119.36 113.41 1nuu n ILE 42 Ca 0.13 -0.28 -0.18 0.00 -0.27 0.00 0.00 62.75 62.16 1nuu n ILE 42 Cb 0.45 0.41 -0.06 0.00 -1.74 0.00 0.00 39.64 38.70 1nuu n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nuu s GLN 43 N -2.76 1.04 -0.01 6.28 2.00 -1.21 -4.96 119.66 120.04 1nuu s GLN 43 Ca -0.02 0.26 0.08 0.00 -2.00 0.00 0.00 55.36 53.67 1nuu s GLN 43 Cb 0.09 0.49 -0.02 0.00 0.80 0.00 0.00 33.01 34.37 1nuu s GLN 43 CO 0.56 -0.32 -0.24 0.20 -0.50 0.00 0.00 175.29 174.99 1nuu s GLY 44 N -1.18 1.19 -0.10 2.59 0.00 0.50 -0.83 107.32 109.49 1nuu s GLY 44 Ca -0.11 -1.06 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1nuu s GLY 44 CO 0.10 -0.90 -0.06 -0.42 0.00 0.00 0.00 173.10 171.82 1nuu s ILE 45 N -0.61 0.83 -0.27 0.90 1.01 0.17 -0.54 121.20 122.69 1nuu s ILE 45 Ca 0.09 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.42 1nuu s ILE 45 Cb -0.09 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.46 1nuu s ILE 45 CO -0.00 0.33 0.37 -0.63 0.00 0.00 0.00 174.94 175.01 1nuu s ILE 46 N 1.68 5.18 -0.41 2.92 1.09 0.19 -0.27 121.20 131.57 1nuu s ILE 46 Ca 0.03 0.56 0.03 0.00 -1.10 0.00 0.00 60.65 60.18 1nuu s ILE 46 Cb -0.13 -3.69 0.11 0.00 -1.06 0.00 0.00 42.46 37.69 1nuu s ILE 46 CO -0.06 0.16 0.15 -0.55 -0.10 0.00 0.00 174.94 174.54 1nuu s SER 47 N 1.63 4.43 0.36 3.58 0.15 -0.21 -0.89 113.70 122.74 1nuu s SER 47 Ca 0.15 -2.47 -0.28 0.00 0.70 0.00 0.00 55.95 54.04 1nuu s SER 47 Cb -0.16 -1.51 -0.11 0.00 -1.71 0.00 0.00 66.02 62.53 1nuu s SER 47 CO 0.10 -0.32 1.42 -2.84 1.20 0.00 0.00 173.24 172.80 1nuu s PRO 48 N 0.47 4.21 0.64 5.44 0.02 -1.26 -3.07 135.00 141.45 1nuu s PRO 48 Ca 0.14 2.43 -0.16 0.00 0.02 0.00 0.00 61.00 63.43 1nuu s PRO 48 Cb -0.22 -3.01 -0.01 0.00 0.02 0.00 0.00 34.50 31.28 1nuu s PRO 48 CO -0.06 -0.40 1.12 0.54 -0.33 0.00 0.00 177.00 177.87 1nuu s VAL 49 N -1.08 3.18 0.82 3.83 0.11 0.07 -3.14 120.40 124.18 1nuu s VAL 49 Ca 0.52 0.59 -0.12 0.00 -2.93 0.00 0.00 61.98 60.04 1nuu s VAL 49 Cb -0.44 -3.13 0.09 0.00 -1.53 0.00 0.00 36.38 31.37 1nuu s VAL 49 CO 0.59 -0.30 1.14 0.21 -3.33 0.00 0.00 175.10 173.41 1nuu s ASN 50 N -2.38 3.78 0.01 3.54 3.84 -1.26 -4.70 114.94 117.77 1nuu s ASN 50 Ca 0.69 2.12 0.21 0.00 0.21 0.00 0.00 52.86 56.09 1nuu s ASN 50 Cb -0.22 -2.56 0.90 0.00 -0.55 0.00 0.00 41.25 38.82 1nuu s ASN 50 CO 0.39 -2.53 1.68 0.47 -2.79 0.00 0.00 177.10 174.31 1nuu n ASP 51 N -3.57 0.02 -0.01 -4.21 8.00 -1.26 -3.03 116.55 112.48 1nuu n ASP 51 Ca 0.11 0.50 0.12 0.00 0.71 0.00 0.00 54.79 56.24 1nuu n ASP 51 Cb 0.52 -0.51 0.27 0.00 -0.02 0.00 0.00 41.12 41.38 1nuu n ASP 51 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1nuu n THR 52 N -1.52 0.00 -2.00 -3.53 -2.24 -1.26 -4.94 114.28 98.80 1nuu n THR 52 Ca 0.05 -0.01 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 1nuu n THR 52 Cb 0.25 0.24 -0.02 0.00 -2.10 0.00 0.00 70.33 68.71 1nuu n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nuu s TYR 53 N -2.97 2.90 0.07 4.78 5.04 -1.17 -4.90 117.35 121.10 1nuu s TYR 53 Ca 0.12 1.27 0.00 0.00 -2.44 0.00 0.00 57.07 56.02 1nuu s TYR 53 Cb 0.18 -3.81 0.00 0.00 0.35 0.00 0.00 41.96 38.67 1nuu s TYR 53 CO 0.69 -2.36 0.00 0.41 -1.34 0.00 0.00 175.55 172.94 1nuu n GLY 54 N 0.94 -0.99 2.63 8.97 0.00 -1.26 -4.43 105.19 111.05 1nuu n GLY 54 Ca 0.01 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.81 1nuu n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nuu n LYS 55 N -2.21 3.03 -4.18 1.61 5.02 -1.26 -4.99 118.16 115.19 1nuu n LYS 55 Ca 0.00 -3.86 -0.16 0.00 -2.02 0.00 0.00 58.31 52.27 1nuu n LYS 55 Cb 0.14 -2.27 -0.13 0.00 -0.02 0.00 0.00 35.03 32.75 1nuu n LYS 55 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nuu s LYS 56 N -3.83 0.66 -0.74 1.97 -0.14 -1.26 -5.08 119.74 111.32 1nuu s LYS 56 Ca 0.52 -0.68 -0.21 0.00 -1.36 0.00 0.00 55.97 54.24 1nuu s LYS 56 Cb 0.43 -0.57 0.09 0.00 -1.68 0.00 0.00 37.83 36.10 1nuu s LYS 56 CO -0.26 0.13 1.00 -0.51 -0.76 0.00 0.00 175.35 174.96 1nuu s ASP 57 N -1.20 6.32 0.20 2.83 1.01 -1.26 -5.01 116.67 119.56 1nuu s ASP 57 Ca -0.03 -1.35 -0.05 0.00 0.71 0.00 0.00 52.55 51.82 1nuu s ASP 57 Cb -0.08 -2.41 -0.06 0.00 1.01 0.00 0.00 42.92 41.39 1nuu s ASP 57 CO 0.01 -1.30 0.45 -0.76 0.21 0.00 0.00 175.17 173.78 1nuu s LEU 58 N 3.55 4.19 0.72 1.23 1.02 -1.26 -5.07 118.68 123.06 1nuu s LEU 58 Ca 0.25 0.65 -0.16 0.00 0.02 0.00 0.00 54.13 54.89 1nuu s LEU 58 Cb -0.14 -3.41 0.03 0.00 0.02 0.00 0.00 46.19 42.70 1nuu s LEU 58 CO 0.04 -0.05 1.23 0.00 0.02 0.00 0.00 176.35 177.59 1nuu s ALA 59 N -1.83 2.14 0.30 4.21 0.00 -1.26 -4.87 121.76 120.45 1nuu s ALA 59 Ca 0.42 0.97 -0.29 0.00 0.00 0.00 0.00 51.96 53.06 1nuu s ALA 59 Cb -0.11 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.38 1nuu s ALA 59 CO 0.26 -1.88 1.19 0.00 0.00 0.00 0.00 175.76 175.34 1nuu n ALA 60 N -2.60 0.57 -0.33 0.00 0.00 -1.26 -4.73 120.51 112.16 1nuu n ALA 60 Ca 0.14 0.39 0.12 0.00 0.00 0.00 0.00 53.44 54.08 1nuu n ALA 60 Cb 0.50 -2.15 0.30 0.00 0.00 0.00 0.00 19.45 18.09 1nuu n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nuu h SER 61 N 2.61 0.62 0.10 0.00 4.64 -1.89 0.93 113.55 120.56 1nuu h SER 61 Ca -0.43 0.11 -0.02 0.00 -0.47 0.00 0.00 61.79 60.98 1nuu h SER 61 Cb 1.31 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.41 1nuu h SER 61 CO 0.64 0.19 -0.10 1.12 -0.87 0.00 0.00 176.83 177.81 1nuu h HIS 62 N 0.64 0.00 -0.21 4.77 2.07 -1.95 0.18 115.15 120.65 1nuu h HIS 62 Ca 0.55 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.97 1nuu h HIS 62 Cb 0.89 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.87 1nuu h HIS 62 CO -0.05 0.10 -0.25 0.45 -3.07 0.00 0.00 177.93 175.11 1nuu h HIS 63 N 0.00 0.66 -0.45 6.12 -0.00 -1.17 -1.60 115.15 118.71 1nuu h HIS 63 Ca -0.00 -0.21 -0.07 0.00 -0.00 0.00 0.00 60.37 60.09 1nuu h HIS 63 Cb 0.18 -0.14 -0.02 0.00 -0.00 0.00 0.00 27.41 27.43 1nuu h HIS 63 CO 0.00 0.91 -0.03 0.00 -0.00 0.00 0.00 177.93 178.81 1nuu h ARG 64 N 0.23 0.75 -0.38 2.45 3.08 -0.89 0.04 114.38 119.66 1nuu h ARG 64 Ca 0.03 -0.21 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1nuu h ARG 64 Cb 0.81 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 1nuu h ARG 64 CO 0.06 0.78 0.07 0.28 -1.07 0.00 0.00 179.97 180.09 1nuu h VAL 65 N 0.70 1.24 -0.79 2.04 2.07 -0.97 -1.46 116.25 119.08 1nuu h VAL 65 Ca 0.13 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1nuu h VAL 65 Cb 0.47 1.05 -0.04 0.00 -1.52 0.00 0.00 31.29 31.25 1nuu h VAL 65 CO 0.02 0.28 0.32 0.00 0.02 0.00 0.00 177.57 178.22 1nuu h ALA 66 N 0.92 1.09 -0.49 1.67 0.00 -0.83 0.22 119.26 121.84 1nuu h ALA 66 Ca 0.12 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1nuu h ALA 66 Cb 0.35 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nuu h ALA 66 CO 0.01 0.65 -0.20 0.52 0.00 0.00 0.00 179.25 180.23 1nuu h MET 67 N 1.14 1.00 -0.60 0.00 2.07 -0.90 -0.81 114.93 116.83 1nuu h MET 67 Ca 0.26 -0.42 -0.04 0.00 -2.07 0.00 0.00 59.70 57.43 1nuu h MET 67 Cb 0.20 -0.04 -0.03 0.00 -1.87 0.00 0.00 31.60 29.87 1nuu h MET 67 CO -0.02 1.10 0.20 0.00 1.07 0.00 0.00 176.91 179.26 1nuu h ALA 68 N 0.87 0.78 -0.17 6.32 0.00 -0.86 0.16 119.26 126.36 1nuu h ALA 68 Ca 0.11 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.84 1nuu h ALA 68 Cb 0.78 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1nuu h ALA 68 CO 0.06 0.43 0.09 -0.09 0.00 0.00 0.00 179.25 179.74 1nuu h ARG 69 N 0.84 0.18 -0.58 0.00 2.43 -0.74 -0.29 114.38 116.22 1nuu h ARG 69 Ca 0.19 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1nuu h ARG 69 Cb 0.26 -0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 29.74 1nuu h ARG 69 CO -0.01 0.12 0.38 -0.07 -1.51 0.00 0.00 179.97 178.88 1nuu h LEU 70 N 0.19 0.66 -1.55 3.80 3.38 -0.78 -1.75 115.31 119.25 1nuu h LEU 70 Ca 0.07 -0.01 0.07 0.00 0.09 0.00 0.00 57.88 58.09 1nuu h LEU 70 Cb 0.01 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 1nuu h LEU 70 CO -0.04 0.47 0.40 0.00 0.09 0.00 0.00 178.44 179.36 1nuu h ALA 71 N 1.22 1.85 -0.10 1.53 0.00 -0.16 -2.61 119.26 120.99 1nuu h ALA 71 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1nuu h ALA 71 Cb -0.08 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1nuu h ALA 71 CO -0.05 0.04 0.00 1.28 0.00 0.00 0.00 179.25 180.52 1nuu n LEU 72 N -4.48 1.88 -0.17 0.00 4.77 -0.17 -4.31 117.00 114.52 1nuu n LEU 72 Ca 0.09 -0.71 0.12 0.00 -0.03 0.00 0.00 56.01 55.49 1nuu n LEU 72 Cb 0.26 -0.06 0.45 0.00 -2.33 0.00 0.00 43.42 41.75 1nuu n LEU 72 CO 0.34 0.35 1.21 1.56 -1.33 0.00 0.00 177.39 179.52 1nuu h GLN 73 N 2.73 0.51 -0.30 3.23 4.20 -1.00 0.74 115.11 125.22 1nuu h GLN 73 Ca 0.00 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.68 1nuu h GLN 73 Cb 0.59 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.25 1nuu h GLN 73 CO 0.00 0.34 0.00 0.25 -0.67 0.00 0.00 178.83 178.75 1nuu n THR 74 N -4.49 0.40 -3.77 -0.54 -2.24 -1.26 -4.82 114.28 97.56 1nuu n THR 74 Ca 0.13 -0.44 -0.36 0.00 -2.27 0.00 0.00 64.05 61.11 1nuu n THR 74 Cb 0.43 0.28 -0.07 0.00 -2.10 0.00 0.00 70.33 68.87 1nuu n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nuu s SER 75 N -1.17 6.37 0.00 3.42 0.15 0.25 -4.97 113.70 117.75 1nuu s SER 75 Ca 0.26 0.44 0.23 0.00 0.70 0.00 0.00 55.95 57.59 1nuu s SER 75 Cb 0.14 -2.10 0.45 0.00 -1.71 0.00 0.00 66.02 62.80 1nuu s SER 75 CO 0.19 0.30 1.41 -0.90 1.20 0.00 0.00 173.24 175.44 1nuu n ASP 76 N 2.61 2.92 0.00 5.45 5.68 -1.26 -4.54 116.55 127.40 1nuu n ASP 76 Ca -0.17 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 1nuu n ASP 76 Cb 0.54 -0.14 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1nuu n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nuu n TRP 77 N 1.18 0.00 -4.35 2.11 4.27 -1.26 -5.07 117.44 114.32 1nuu n TRP 77 Ca 0.17 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.44 1nuu n TRP 77 Cb 0.55 0.00 -0.11 0.00 -1.36 0.00 0.00 31.31 30.38 1nuu n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nuu s ILE 78 N -0.13 4.12 0.11 -1.67 1.01 -1.26 -0.37 121.20 122.99 1nuu s ILE 78 Ca 0.00 -0.29 0.03 0.00 0.00 0.00 0.00 60.65 60.39 1nuu s ILE 78 Cb 0.00 -2.79 -0.04 0.00 0.01 0.00 0.00 42.46 39.64 1nuu s ILE 78 CO 0.00 0.52 -0.09 0.00 0.00 0.00 0.00 174.94 175.37 1nuu s ARG 79 N 0.02 0.88 0.02 2.79 1.70 0.29 -4.83 118.95 119.83 1nuu s ARG 79 Ca 0.02 -1.29 -0.10 0.00 -0.47 0.00 0.00 55.73 53.89 1nuu s ARG 79 Cb -0.13 -0.41 -0.05 0.00 -0.57 0.00 0.00 34.95 33.79 1nuu s ARG 79 CO 0.02 0.04 0.34 0.54 -1.08 0.00 0.00 175.30 175.16 1nuu s VAL 80 N -3.11 5.17 -0.20 4.99 0.11 -1.26 -0.64 120.40 125.47 1nuu s VAL 80 Ca 0.10 0.47 0.00 0.00 -2.93 0.00 0.00 61.98 59.62 1nuu s VAL 80 Cb 0.02 -3.62 0.05 0.00 -1.53 0.00 0.00 36.38 31.29 1nuu s VAL 80 CO -0.02 0.42 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.47 1nuu s ASP 81 N -1.48 3.34 0.00 3.54 3.68 -0.07 -4.87 116.67 120.80 1nuu s ASP 81 Ca 0.27 -0.89 0.30 0.00 2.13 0.00 0.00 52.55 54.36 1nuu s ASP 81 Cb -0.14 -1.14 1.63 0.00 -1.45 0.00 0.00 42.92 41.81 1nuu s ASP 81 CO 0.15 -0.17 2.08 -0.81 0.13 0.00 0.00 175.17 176.54 1nuu n PRO 82 N 4.73 0.65 -0.33 4.34 -0.04 -1.26 -4.36 135.00 138.74 1nuu n PRO 82 Ca -0.13 0.01 -0.11 0.00 -0.04 0.00 0.00 63.50 63.22 1nuu n PRO 82 Cb 0.46 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.33 1nuu n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nuu h TRP 83 N 0.00 -1.78 -0.31 0.54 7.01 -1.95 0.11 115.95 119.58 1nuu h TRP 83 Ca 0.00 0.11 0.07 0.00 2.11 0.00 0.00 58.89 61.18 1nuu h TRP 83 Cb 0.16 0.88 -0.06 0.00 -2.10 0.00 0.00 29.16 28.04 1nuu h TRP 83 CO 0.00 -0.41 -0.11 1.49 -2.79 0.00 0.00 178.44 176.62 1nuu h GLU 84 N -0.13 -0.04 0.00 2.65 4.81 -1.85 -1.05 114.58 118.97 1nuu h GLU 84 Ca 0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.36 1nuu h GLU 84 Cb 0.48 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.87 1nuu h GLU 84 CO -0.83 -0.03 -0.09 0.66 -0.73 0.00 0.00 179.01 177.99 1nuu h SER 85 N -0.04 0.00 -0.31 1.04 4.64 -1.25 -2.38 113.55 115.25 1nuu h SER 85 Ca 0.16 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.48 1nuu h SER 85 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1nuu h SER 85 CO -0.35 0.09 0.00 -0.62 -0.87 0.00 0.00 176.83 175.08 1nuu n GLU 86 N -3.36 1.75 -2.98 4.77 1.02 -0.07 -4.59 120.64 117.18 1nuu n GLU 86 Ca -0.01 -1.12 -0.30 0.00 -0.02 0.00 0.00 57.16 55.70 1nuu n GLU 86 Cb 0.26 -1.26 -0.04 0.00 -0.02 0.00 0.00 31.44 30.38 1nuu n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nuu s GLN 87 N -1.59 3.78 0.30 3.49 -1.52 -0.90 -4.96 119.66 118.26 1nuu s GLN 87 Ca 0.21 0.41 0.02 0.00 -1.95 0.00 0.00 55.36 54.05 1nuu s GLN 87 Cb 0.11 -2.44 0.59 0.00 -0.22 0.00 0.00 33.01 31.04 1nuu s GLN 87 CO 0.14 0.03 1.86 0.00 -0.25 0.00 0.00 175.29 177.07 1nuu h ALA 88 N 1.46 1.57 -2.33 6.09 0.00 -1.89 -3.45 119.26 120.71 1nuu h ALA 88 Ca -0.47 0.01 -0.35 0.00 0.00 0.00 0.00 54.91 54.09 1nuu h ALA 88 Cb 1.19 -0.22 -0.14 0.00 0.00 0.00 0.00 17.79 18.62 1nuu h ALA 88 CO 0.64 0.22 -0.61 -1.14 0.00 0.00 0.00 179.25 178.36 1nuu s GLN 89 N -5.90 1.42 0.58 0.00 0.74 -1.26 -4.92 119.66 110.33 1nuu s GLN 89 Ca -0.11 -1.77 -0.20 0.00 0.05 0.00 0.00 55.36 53.33 1nuu s GLN 89 Cb 0.22 -0.26 -0.04 0.00 1.10 0.00 0.00 33.01 34.03 1nuu s GLN 89 CO 0.80 -0.30 1.26 -0.46 -0.55 0.00 0.00 175.29 176.04 1nuu s TRP 90 N -3.75 2.33 -0.01 1.67 -0.00 -1.26 -4.93 118.94 112.98 1nuu s TRP 90 Ca 0.38 1.47 0.03 0.00 -0.00 0.00 0.00 56.10 57.99 1nuu s TRP 90 Cb 0.08 -3.61 -0.01 0.00 -0.00 0.00 0.00 33.47 29.94 1nuu s TRP 90 CO 0.14 -2.50 -0.12 -1.64 -0.00 0.00 0.00 176.95 172.83 1nuu s MET 91 N -3.18 1.02 0.61 5.86 -1.94 -1.26 -5.08 119.30 115.33 1nuu s MET 91 Ca 0.76 -0.41 -0.20 0.00 -1.71 0.00 0.00 55.69 54.13 1nuu s MET 91 Cb -0.34 -0.97 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1nuu s MET 91 CO 0.38 0.23 1.32 -1.21 -0.01 0.00 0.00 175.02 175.73 1nuu s GLU 92 N -0.16 2.79 0.34 2.03 8.01 -1.26 -4.85 118.70 125.61 1nuu s GLU 92 Ca 0.02 2.14 0.03 0.00 0.01 0.00 0.00 54.97 57.18 1nuu s GLU 92 Cb -0.06 -2.01 0.64 0.00 -4.31 0.00 0.00 34.13 28.39 1nuu s GLU 92 CO -0.00 -1.43 1.95 1.15 0.01 0.00 0.00 175.26 176.94 1nuu h THR 93 N 0.92 1.07 -0.00 3.63 2.02 -2.00 -0.87 112.91 117.66 1nuu h THR 93 Ca -0.51 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.37 1nuu h THR 93 Cb 1.32 0.11 -0.00 0.00 -1.74 0.00 0.00 68.15 67.85 1nuu h THR 93 CO 0.55 0.16 0.00 1.62 0.37 0.00 0.00 175.52 178.22 1nuu h VAL 94 N 0.88 0.88 -0.01 3.16 3.04 -1.92 0.40 116.25 122.68 1nuu h VAL 94 Ca 0.33 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.86 1nuu h VAL 94 Cb 0.17 1.00 -0.02 0.00 -2.01 0.00 0.00 31.29 30.43 1nuu h VAL 94 CO -0.11 0.00 -0.73 0.11 -1.01 0.00 0.00 177.57 175.84 1nuu h LYS 95 N 0.00 0.08 -0.39 4.17 1.57 -1.50 -1.77 116.57 118.72 1nuu h LYS 95 Ca 0.00 -0.07 -0.15 0.00 -1.87 0.00 0.00 60.65 58.57 1nuu h LYS 95 Cb 0.01 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1nuu h LYS 95 CO -0.00 0.77 -0.33 0.28 -0.57 0.00 0.00 179.45 179.60 1nuu h VAL 96 N 0.05 1.28 -0.55 0.50 2.07 -0.90 -0.92 116.25 117.77 1nuu h VAL 96 Ca -0.01 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.01 1nuu h VAL 96 Cb 1.28 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 32.38 1nuu h VAL 96 CO 0.10 0.50 0.33 -0.07 0.02 0.00 0.00 177.57 178.45 1nuu h LEU 97 N 0.73 0.67 -0.15 2.57 3.38 -1.08 -1.51 115.31 119.91 1nuu h LEU 97 Ca 0.07 -0.06 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1nuu h LEU 97 Cb 0.91 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.48 1nuu h LEU 97 CO 0.08 0.53 0.07 0.03 0.09 0.00 0.00 178.44 179.24 1nuu h ARG 98 N 0.75 0.15 0.03 1.13 3.08 -1.14 0.21 114.38 118.59 1nuu h ARG 98 Ca 0.20 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.27 1nuu h ARG 98 Cb -0.01 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1nuu h ARG 98 CO -0.04 0.10 -0.33 1.25 -1.07 0.00 0.00 179.97 179.88 1nuu h HIS 99 N 0.15 -0.92 0.00 3.04 2.76 -0.89 -0.36 115.15 118.93 1nuu h HIS 99 Ca 0.06 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.21 1nuu h HIS 99 Cb 0.01 0.40 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 1nuu h HIS 99 CO -0.09 -0.43 -0.20 0.45 -1.30 0.00 0.00 177.93 176.36 1nuu h HIS 100 N -0.50 0.00 -0.11 5.26 3.86 -1.08 -2.33 115.15 120.25 1nuu h HIS 100 Ca 0.05 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.24 1nuu h HIS 100 Cb 0.58 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.04 1nuu h HIS 100 CO -0.34 0.20 -0.01 1.25 0.86 0.00 0.00 177.93 179.89 1nuu h HIS 101 N 0.00 0.23 -0.47 2.45 6.17 0.30 -2.55 115.15 121.27 1nuu h HIS 101 Ca -0.00 -0.04 0.07 0.00 0.71 0.00 0.00 60.37 61.10 1nuu h HIS 101 Cb 0.45 -0.06 -0.06 0.00 2.52 0.00 0.00 27.41 30.26 1nuu h HIS 101 CO 0.00 0.48 0.16 0.77 0.71 0.00 0.00 177.93 180.05 1nuu h SER 102 N -0.08 0.14 -0.86 3.26 0.02 -0.64 -1.79 113.55 113.61 1nuu h SER 102 Ca 0.03 0.06 0.09 0.00 -0.84 0.00 0.00 61.79 61.13 1nuu h SER 102 Cb 0.40 0.05 -0.07 0.00 0.14 0.00 0.00 62.40 62.92 1nuu h SER 102 CO 0.01 0.11 0.51 0.11 -1.14 0.00 0.00 176.83 176.43 1nuu h LYS 103 N 0.32 0.85 -0.19 3.45 1.57 -1.36 0.29 116.57 121.50 1nuu h LYS 103 Ca 0.23 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1nuu h LYS 103 Cb 0.24 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1nuu h LYS 103 CO -0.24 0.56 0.09 -0.07 -0.57 0.00 0.00 179.45 179.22 1nuu h LEU 104 N 0.88 0.23 -0.01 2.94 3.38 -0.91 -0.08 115.31 121.74 1nuu h LEU 104 Ca 0.40 -0.01 -0.20 0.00 0.09 0.00 0.00 57.88 58.16 1nuu h LEU 104 Cb 0.32 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 1nuu h LEU 104 CO -0.23 0.20 -0.97 -0.07 0.09 0.00 0.00 178.44 177.47 1nuu h LEU 105 N 0.26 0.00 0.00 1.67 3.38 -0.48 -3.47 115.31 116.67 1nuu h LEU 105 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1nuu h LEU 105 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nuu h LEU 105 CO -0.01 0.97 0.00 0.54 0.09 0.00 0.00 178.44 180.03 1nuu n ARG 106 N -3.35 0.00 -3.64 1.13 1.74 0.83 -5.10 116.66 108.26 1nuu n ARG 106 Ca 0.00 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 57.04 1nuu n ARG 106 Cb 0.92 -0.29 -0.07 0.00 -1.02 0.00 0.00 32.46 32.00 1nuu n ARG 106 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1nuu s VAL 127 N 0.00 0.00 0.54 1.55 1.01 -1.26 -4.84 120.40 117.40 1nuu s VAL 127 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 61.80 1nuu s VAL 127 Cb 0.00 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.32 1nuu s VAL 127 CO 0.00 0.00 1.05 -2.84 0.00 0.00 0.00 175.10 173.31 1nuu s PRO 128 N 0.63 3.55 -0.07 2.72 0.02 -1.26 -4.78 135.00 135.80 1nuu s PRO 128 Ca -0.01 1.26 -0.20 0.00 0.02 0.00 0.00 61.00 62.07 1nuu s PRO 128 Cb -0.04 -2.06 -0.04 0.00 0.02 0.00 0.00 34.50 32.37 1nuu s PRO 128 CO -0.12 -0.63 0.56 -1.21 -0.33 0.00 0.00 177.00 175.28 1nuu s GLU 129 N -3.71 4.34 -0.21 5.54 2.02 0.19 -4.91 118.70 121.96 1nuu s GLU 129 Ca 0.65 0.62 -0.11 0.00 0.02 0.00 0.00 54.97 56.15 1nuu s GLU 129 Cb -0.16 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.62 1nuu s GLU 129 CO 0.29 0.21 0.19 -1.17 0.02 0.00 0.00 175.26 174.81 1nuu s LEU 130 N 0.39 4.17 0.02 1.80 2.96 -1.26 -1.25 118.68 125.50 1nuu s LEU 130 Ca 0.30 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.52 1nuu s LEU 130 Cb -0.17 -2.18 -0.02 0.00 0.50 0.00 0.00 46.19 44.32 1nuu s LEU 130 CO 0.14 0.10 -0.18 -0.54 -1.32 0.00 0.00 176.35 174.55 1nuu s LYS 131 N 0.74 1.28 0.10 1.98 1.02 -0.70 -3.55 119.74 120.61 1nuu s LYS 131 Ca 0.10 -0.78 -0.30 0.00 0.02 0.00 0.00 55.97 55.01 1nuu s LYS 131 Cb -0.13 -1.31 -0.06 0.00 -0.52 0.00 0.00 37.83 35.81 1nuu s LYS 131 CO 0.02 0.34 0.97 -1.17 -0.92 0.00 0.00 175.35 174.60 1nuu s LEU 132 N -0.88 4.48 -0.18 3.17 2.96 0.40 -1.45 118.68 127.18 1nuu s LEU 132 Ca 0.06 1.79 -0.04 0.00 -0.22 0.00 0.00 54.13 55.71 1nuu s LEU 132 Cb -0.08 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.00 1nuu s LEU 132 CO 0.01 -0.10 -0.02 -0.22 -1.32 0.00 0.00 176.35 174.70 1nuu s LEU 133 N 0.11 3.25 0.25 -0.68 2.96 0.15 -0.85 118.68 123.87 1nuu s LEU 133 Ca 0.48 -0.16 -0.17 0.00 -0.22 0.00 0.00 54.13 54.06 1nuu s LEU 133 Cb -0.23 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.67 1nuu s LEU 133 CO 0.30 0.12 0.57 0.00 -1.32 0.00 0.00 176.35 176.02 1nuu s GLY 135 N -2.95 1.57 0.41 0.00 0.00 -1.26 -1.10 107.32 103.99 1nuu s GLY 135 Ca 0.16 -0.48 0.14 0.00 0.00 0.00 0.00 44.72 44.54 1nuu s GLY 135 CO 0.06 -0.25 1.92 0.00 0.00 0.00 0.00 173.10 174.83 1nuu h ALA 136 N -0.04 2.02 -0.57 3.20 0.00 -0.91 -0.74 119.26 122.22 1nuu h ALA 136 Ca -0.46 -0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.57 1nuu h ALA 136 Cb 1.22 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 1nuu h ALA 136 CO 0.62 -0.22 0.39 0.38 0.00 0.00 0.00 179.25 180.42 1nuu h ASP 137 N 0.49 0.22 -0.85 0.00 2.03 -1.93 -0.82 116.42 115.56 1nuu h ASP 137 Ca 0.37 0.01 -0.03 0.00 -0.73 0.00 0.00 57.03 56.65 1nuu h ASP 137 Cb 0.74 -0.04 -0.04 0.00 -0.83 0.00 0.00 39.33 39.16 1nuu h ASP 137 CO -0.13 0.13 0.42 0.58 -1.03 0.00 0.00 179.24 179.22 1nuu h VAL 138 N 0.25 1.26 -0.70 4.15 2.07 -1.50 -1.58 116.25 120.20 1nuu h VAL 138 Ca 0.27 -0.70 0.03 0.00 0.82 0.00 0.00 66.70 67.12 1nuu h VAL 138 Cb 0.74 0.15 -0.04 0.00 -1.52 0.00 0.00 31.29 30.61 1nuu h VAL 138 CO -0.06 0.31 0.46 -0.07 0.02 0.00 0.00 177.57 178.23 1nuu h LEU 139 N 1.21 0.73 -1.05 2.57 3.38 -1.26 -0.26 115.31 120.64 1nuu h LEU 139 Ca 0.30 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.16 1nuu h LEU 139 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1nuu h LEU 139 CO -0.04 0.50 -0.36 0.50 0.09 0.00 0.00 178.44 179.13 1nuu h LYS 140 N 0.85 0.21 0.00 1.13 3.64 -1.20 -2.73 116.57 118.47 1nuu h LYS 140 Ca 0.28 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1nuu h LYS 140 Cb 0.05 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.86 1nuu h LYS 140 CO -0.08 0.55 0.00 1.79 -2.27 0.00 0.00 179.45 179.45 1nuu h THR 141 N 0.18 0.00 0.00 1.00 1.35 -0.58 -1.85 112.91 113.01 1nuu h THR 141 Ca 0.02 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.54 1nuu h THR 141 Cb 0.73 1.20 -0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1nuu h THR 141 CO 0.06 0.00 -0.03 -0.26 -0.25 0.00 0.00 175.52 175.03 1nuu h PHE 142 N 0.00 0.00 0.00 4.73 0.05 -1.32 -0.92 116.94 119.47 1nuu h PHE 142 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nuu h PHE 142 Cb 0.40 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.35 1nuu h PHE 142 CO 0.00 0.03 -0.14 1.04 -0.18 0.00 0.00 178.31 179.06 1nuu n GLN 143 N -3.90 0.10 -2.14 1.51 6.02 -0.69 -4.70 117.38 113.58 1nuu n GLN 143 Ca -0.03 0.06 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1nuu n GLN 143 Cb 0.12 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 29.75 1nuu n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nuu s THR 144 N -3.04 3.45 -0.02 5.09 2.01 -0.35 -4.90 115.64 117.87 1nuu s THR 144 Ca 0.12 0.92 -0.38 0.00 0.31 0.00 0.00 61.69 62.66 1nuu s THR 144 Cb 0.16 -3.59 -0.17 0.00 0.01 0.00 0.00 72.50 68.92 1nuu s THR 144 CO 0.59 0.02 1.42 -2.65 -0.69 0.00 0.00 174.62 173.31 1nuu n PRO 145 N 5.01 1.02 -0.93 4.92 -0.02 -1.26 -1.39 135.00 142.34 1nuu n PRO 145 Ca 0.13 0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1nuu n PRO 145 Cb 0.43 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.90 1nuu n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nuu n ASN 146 N 3.12 -4.89 0.03 2.55 3.02 -1.26 -4.86 115.26 112.96 1nuu n ASN 146 Ca 0.21 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.57 1nuu n ASN 146 Cb 0.16 -3.09 -0.13 0.00 -0.61 0.00 0.00 39.78 36.11 1nuu n ASN 146 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1nuu h LEU 147 N 0.00 0.47 -8.01 3.41 5.85 -1.55 -3.45 115.31 112.03 1nuu h LEU 147 Ca 0.00 -0.89 -0.52 0.00 0.84 0.00 0.00 57.88 57.30 1nuu h LEU 147 Cb 0.78 -0.15 -0.33 0.00 0.37 0.00 0.00 40.66 41.32 1nuu h LEU 147 CO 0.00 1.32 -0.82 0.26 -0.34 0.00 0.00 178.44 178.86 1nuu s TRP 148 N -2.69 1.52 0.20 1.25 0.52 -1.26 -5.11 118.94 113.38 1nuu s TRP 148 Ca -0.14 -0.56 -0.30 0.00 0.02 0.00 0.00 56.10 55.12 1nuu s TRP 148 Cb 0.02 -1.11 -0.09 0.00 -1.15 0.00 0.00 33.47 31.14 1nuu s TRP 148 CO 0.82 -0.28 1.36 0.15 0.02 0.00 0.00 176.95 179.02 1nuu s LYS 149 N 0.62 4.35 0.31 4.98 1.02 -1.26 -4.89 119.74 124.86 1nuu s LYS 149 Ca -0.14 2.12 0.06 0.00 0.02 0.00 0.00 55.97 58.02 1nuu s LYS 149 Cb -0.16 -3.18 0.72 0.00 -0.52 0.00 0.00 37.83 34.69 1nuu s LYS 149 CO 0.04 -0.32 1.80 -0.44 -0.92 0.00 0.00 175.35 175.50 1nuu h ASP 150 N 5.52 0.80 -0.30 2.83 3.32 -1.99 0.22 116.42 126.81 1nuu h ASP 150 Ca -0.45 0.08 -0.01 0.00 0.02 0.00 0.00 57.03 56.68 1nuu h ASP 150 Cb 1.21 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 40.68 1nuu h ASP 150 CO 0.79 0.32 0.17 0.00 -1.72 0.00 0.00 179.24 178.80 1nuu h ALA 151 N 1.62 1.66 -0.18 3.45 0.00 -1.99 -0.66 119.26 123.16 1nuu h ALA 151 Ca 0.55 -0.07 -0.20 0.00 0.00 0.00 0.00 54.91 55.20 1nuu h ALA 151 Cb 0.82 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.48 1nuu h ALA 151 CO -0.34 0.28 -0.67 0.45 0.00 0.00 0.00 179.25 178.97 1nuu h HIS 152 N 0.47 1.01 -0.68 0.00 3.86 -0.98 -0.71 115.15 118.12 1nuu h HIS 152 Ca 0.12 -0.42 -0.02 0.00 -1.16 0.00 0.00 60.37 58.89 1nuu h HIS 152 Cb 0.05 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.32 1nuu h HIS 152 CO 0.00 1.25 0.36 0.82 0.86 0.00 0.00 177.93 181.21 1nuu h ILE 153 N 0.49 1.22 -0.18 2.45 2.04 -0.83 -0.93 117.51 121.78 1nuu h ILE 153 Ca -0.03 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.25 1nuu h ILE 153 Cb 1.29 0.35 -0.01 0.00 -0.74 0.00 0.00 36.82 37.72 1nuu h ILE 153 CO 0.14 0.24 0.09 -0.61 0.00 0.00 0.00 178.15 178.01 1nuu h GLN 154 N 0.93 0.25 -0.95 2.37 4.15 -1.02 -2.56 115.11 118.28 1nuu h GLN 154 Ca 0.24 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1nuu h GLN 154 Cb 0.07 -0.05 -0.05 0.00 0.21 0.00 0.00 27.48 27.67 1nuu h GLN 154 CO -0.04 0.28 0.60 1.49 -1.93 0.00 0.00 178.83 179.24 1nuu h GLU 155 N 0.16 1.28 -0.42 1.69 4.81 -0.83 0.27 114.58 121.53 1nuu h GLU 155 Ca 0.06 -0.10 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1nuu h GLU 155 Cb 0.11 -0.28 -0.03 0.00 0.63 0.00 0.00 28.75 29.18 1nuu h GLU 155 CO -0.01 0.87 0.22 0.82 -0.73 0.00 0.00 179.01 180.18 1nuu h ILE 156 N 1.31 0.99 0.00 2.32 2.04 -0.96 0.20 117.51 123.40 1nuu h ILE 156 Ca 0.35 -0.15 0.00 0.00 1.00 0.00 0.00 64.86 66.05 1nuu h ILE 156 Cb -0.10 0.51 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 1nuu h ILE 156 CO -0.07 0.08 -0.77 -0.37 0.00 0.00 0.00 178.15 177.02 1nuu h VAL 157 N 0.44 0.00 0.00 1.67 -1.51 -1.16 0.65 116.25 116.35 1nuu h VAL 157 Ca 0.18 -0.60 -0.39 0.00 -1.23 0.00 0.00 66.70 64.66 1nuu h VAL 157 Cb 0.07 1.12 -0.06 0.00 -2.13 0.00 0.00 31.29 30.30 1nuu h VAL 157 CO -0.12 0.00 -2.11 1.21 -1.23 0.00 0.00 177.57 175.32 1nuu n GLU 158 N -2.22 0.59 0.13 5.19 2.13 0.93 -4.57 120.64 122.80 1nuu n GLU 158 Ca 0.02 0.36 -0.23 0.00 0.66 0.00 0.00 57.16 57.98 1nuu n GLU 158 Cb 0.46 -1.58 -0.15 0.00 0.27 0.00 0.00 31.44 30.45 1nuu n GLU 158 CO 0.00 0.00 0.00 -0.22 -0.41 0.00 0.00 177.13 176.50 1nuu h LYS 159 N -0.96 0.54 0.00 5.31 3.64 -0.78 -3.46 116.57 120.86 1nuu h LYS 159 Ca -0.58 -0.85 0.00 0.00 -1.27 0.00 0.00 60.65 57.95 1nuu h LYS 159 Cb 1.53 0.30 0.00 0.00 -0.41 0.00 0.00 32.23 33.65 1nuu h LYS 159 CO -0.34 1.40 0.00 1.19 -2.27 0.00 0.00 179.45 179.43 1nuu n PHE 160 N -3.72 0.00 -3.59 1.91 3.01 -1.08 -4.96 117.46 109.03 1nuu n PHE 160 Ca -0.15 0.00 0.01 0.00 1.01 0.00 0.00 57.45 58.33 1nuu n PHE 160 Cb 1.06 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 40.52 1nuu n PHE 160 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1nuu s GLY 161 N 0.00 -0.40 -0.05 1.37 0.00 0.21 -4.80 107.32 103.65 1nuu s GLY 161 Ca 0.00 1.23 -0.00 0.00 0.00 0.00 0.00 44.72 45.94 1nuu s GLY 161 CO 0.00 0.32 -0.01 -2.27 0.00 0.00 0.00 173.10 171.14 1nuu s LEU 162 N -2.68 0.95 -0.20 0.66 2.96 0.01 -0.46 118.68 119.91 1nuu s LEU 162 Ca 0.14 -0.07 -0.02 0.00 -0.22 0.00 0.00 54.13 53.96 1nuu s LEU 162 Cb 0.05 -0.36 0.01 0.00 0.50 0.00 0.00 46.19 46.38 1nuu s LEU 162 CO -0.05 -0.13 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.05 1nuu s VAL 163 N 1.39 2.79 -0.13 1.68 1.01 -0.03 -0.24 120.40 126.86 1nuu s VAL 163 Ca -0.04 -0.71 -0.00 0.00 0.00 0.00 0.00 61.98 61.23 1nuu s VAL 163 Cb -0.13 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.99 1nuu s VAL 163 CO -0.03 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.41 1nuu s VAL 165 N 0.39 5.27 0.69 0.00 1.01 -0.26 -0.30 120.40 127.20 1nuu s VAL 165 Ca -0.10 0.13 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 1nuu s VAL 165 Cb -0.16 -3.37 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1nuu s VAL 165 CO 0.05 0.48 1.25 -0.83 0.00 0.00 0.00 175.10 176.05 1nuu s GLY 166 N 0.07 2.60 -0.02 4.51 0.00 -0.65 -0.26 107.32 113.57 1nuu s GLY 166 Ca 0.08 1.04 -0.05 0.00 0.00 0.00 0.00 44.72 45.80 1nuu s GLY 166 CO -0.00 1.46 0.11 0.50 0.00 0.00 0.00 173.10 175.17 1nuu s ARG 167 N -3.63 0.29 0.21 2.90 0.52 -1.26 -4.60 118.95 113.37 1nuu s ARG 167 Ca 0.78 -0.12 -0.32 0.00 -0.52 0.00 0.00 55.73 55.55 1nuu s ARG 167 Cb -0.33 0.12 -0.14 0.00 0.52 0.00 0.00 34.95 35.13 1nuu s ARG 167 CO 0.42 -0.06 1.48 0.28 0.02 0.00 0.00 175.30 177.44 1nuu n VAL 168 N 2.29 0.59 -0.60 3.52 0.31 -1.26 -2.06 118.33 121.13 1nuu n VAL 168 Ca -0.17 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.01 1nuu n VAL 168 Cb 0.57 -1.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.00 1nuu n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nuu n SER 169 N 2.62 -0.58 -4.26 4.52 7.64 -1.26 -5.04 113.62 117.25 1nuu n SER 169 Ca 0.13 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.73 1nuu n SER 169 Cb 0.30 -0.10 -0.15 0.00 -1.01 0.00 0.00 64.21 63.25 1nuu n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nuu s HIS 170 N -2.81 2.01 -0.66 1.43 4.02 -0.87 -5.09 115.29 113.31 1nuu s HIS 170 Ca 0.00 -0.38 0.05 0.00 1.02 0.00 0.00 55.06 55.75 1nuu s HIS 170 Cb 0.00 -1.26 0.16 0.00 -1.02 0.00 0.00 32.58 30.46 1nuu s HIS 170 CO 0.00 0.01 0.45 0.34 1.02 0.00 0.00 174.74 176.56 1nuu s ASP 171 N -0.73 4.66 0.28 1.40 2.15 -1.26 -4.71 116.67 118.46 1nuu s ASP 171 Ca 0.09 -3.68 0.02 0.00 0.43 0.00 0.00 52.55 49.41 1nuu s ASP 171 Cb -0.09 -1.61 0.64 0.00 -0.30 0.00 0.00 42.92 41.57 1nuu s ASP 171 CO -0.00 -0.11 1.75 -0.65 -0.17 0.00 0.00 175.17 175.99 1nuu h PRO 172 N 5.60 0.60 -0.87 4.34 0.11 -1.95 -0.64 132.00 139.20 1nuu h PRO 172 Ca 0.11 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 66.23 1nuu h PRO 172 Cb 0.78 -0.14 -0.06 0.00 0.11 0.00 0.00 31.00 31.70 1nuu h PRO 172 CO 0.70 0.40 0.55 0.87 -0.21 0.00 0.00 178.00 180.31 1nuu h LYS 173 N 0.62 1.00 -0.30 1.05 1.57 -2.00 -0.14 116.57 118.38 1nuu h LYS 173 Ca 0.52 -0.06 -0.15 0.00 -1.87 0.00 0.00 60.65 59.10 1nuu h LYS 173 Cb 0.82 -0.23 -0.01 0.00 0.08 0.00 0.00 32.23 32.90 1nuu h LYS 173 CO -0.40 0.66 -0.41 0.78 -0.57 0.00 0.00 179.45 179.51 1nuu h GLY 174 N 1.03 0.79 1.00 3.86 0.00 -1.58 -1.41 103.07 106.76 1nuu h GLY 174 Ca 0.36 -0.80 0.00 0.00 0.00 0.00 0.00 47.33 46.89 1nuu h GLY 174 CO -0.14 0.72 0.35 -0.97 0.00 0.00 0.00 176.54 176.49 1nuu h TYR 175 N 0.59 0.71 0.32 5.60 0.99 -0.61 0.03 116.97 124.60 1nuu h TYR 175 Ca 0.05 0.01 -0.02 0.00 2.00 0.00 0.00 58.73 60.77 1nuu h TYR 175 Cb 0.95 -0.24 0.00 0.00 1.00 0.00 0.00 36.73 38.45 1nuu h TYR 175 CO 0.05 0.47 -0.15 0.82 -0.00 0.00 0.00 178.16 179.34 1nuu h ILE 176 N 0.74 0.70 -0.55 -2.88 2.04 -0.94 -2.53 117.51 114.09 1nuu h ILE 176 Ca 0.20 -0.34 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1nuu h ILE 176 Cb -0.05 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1nuu h ILE 176 CO -0.04 0.07 0.37 0.00 0.00 0.00 0.00 178.15 178.55 1nuu h ALA 177 N -0.01 2.03 -0.01 1.87 0.00 -1.05 -1.97 119.26 120.13 1nuu h ALA 177 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nuu h ALA 177 Cb 0.45 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1nuu h ALA 177 CO 0.07 -0.15 -0.23 0.39 0.00 0.00 0.00 179.25 179.33 1nuu n GLU 178 N -4.47 0.65 -3.37 0.00 1.02 -0.02 -4.76 120.64 109.69 1nuu n GLU 178 Ca 0.09 -0.33 -0.40 0.00 -0.02 0.00 0.00 57.16 56.50 1nuu n GLU 178 Cb 0.35 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.19 1nuu n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nuu s SER 179 N -2.58 6.24 0.63 1.62 0.15 -0.75 -4.94 113.70 114.07 1nuu s SER 179 Ca 0.24 0.04 0.37 0.00 0.70 0.00 0.00 55.95 57.29 1nuu s SER 179 Cb 0.19 -2.22 2.10 0.00 -1.71 0.00 0.00 66.02 64.39 1nuu s SER 179 CO 0.53 -0.30 2.30 1.55 1.20 0.00 0.00 173.24 178.52 1nuu h PRO 180 N 8.33 0.00 0.01 5.44 0.13 -1.86 -1.71 132.00 142.35 1nuu h PRO 180 Ca -0.30 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 64.62 1nuu h PRO 180 Cb 1.15 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.25 1nuu h PRO 180 CO 0.69 0.00 -1.13 0.82 -0.23 0.00 0.00 178.00 178.15 1nuu h ILE 181 N 0.00 1.03 -0.47 -3.56 2.04 -1.92 -3.38 117.51 111.25 1nuu h ILE 181 Ca 0.00 -2.22 -0.01 0.00 1.00 0.00 0.00 64.86 63.63 1nuu h ILE 181 Cb 0.04 2.42 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 1nuu h ILE 181 CO -0.00 0.40 0.25 -0.07 0.00 0.00 0.00 178.15 178.73 1nuu h LEU 182 N -0.92 0.60 -2.72 1.44 3.38 -1.76 -2.62 115.31 112.71 1nuu h LEU 182 Ca -0.30 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 57.57 1nuu h LEU 182 Cb 1.32 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1nuu h LEU 182 CO -0.16 0.52 -0.01 0.08 0.09 0.00 0.00 178.44 178.97 1nuu h ARG 183 N 0.63 0.00 -0.00 1.13 0.11 -1.19 -0.12 114.38 114.94 1nuu h ARG 183 Ca 0.17 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.25 1nuu h ARG 183 Cb 0.06 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.14 1nuu h ARG 183 CO -0.03 0.01 -0.06 -1.33 0.10 0.00 0.00 179.97 178.66 1nuu n MET 184 N -3.22 0.91 -1.10 0.08 2.81 -0.99 -4.01 117.12 111.61 1nuu n MET 184 Ca -0.03 -0.29 0.05 0.00 -1.81 0.00 0.00 57.70 55.63 1nuu n MET 184 Cb 0.10 -1.49 0.10 0.00 -0.71 0.00 0.00 33.22 31.22 1nuu n MET 184 CO 0.00 0.00 0.00 0.72 1.51 0.00 0.00 175.97 178.20 1nuu n HIS 185 N -0.80 0.00 0.26 2.03 8.25 -0.06 -4.89 115.22 120.01 1nuu n HIS 185 Ca 0.17 -0.95 0.18 0.00 -0.26 0.00 0.00 57.72 56.87 1nuu n HIS 185 Cb 0.25 -0.19 0.91 0.00 1.12 0.00 0.00 29.99 32.08 1nuu n HIS 185 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1nuu h GLN 186 N 1.00 0.00 0.00 -0.41 4.20 -1.68 -0.65 115.11 117.57 1nuu h GLN 186 Ca -0.13 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 1nuu h GLN 186 Cb 1.50 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.27 1nuu h GLN 186 CO 0.06 0.00 -0.14 1.25 -0.67 0.00 0.00 178.83 179.32 1nuu h HIS 187 N 0.00 0.00 -0.74 2.96 2.76 -1.92 -2.07 115.15 116.13 1nuu h HIS 187 Ca 0.05 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 1nuu h HIS 187 Cb 0.39 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.35 1nuu h HIS 187 CO 0.00 0.14 0.00 0.09 -1.30 0.00 0.00 177.93 176.86 1nuu n ASN 188 N -3.86 4.01 -4.32 3.26 5.03 -0.25 -4.87 115.26 114.26 1nuu n ASN 188 Ca -0.02 -2.02 -0.32 0.00 0.87 0.00 0.00 54.58 53.09 1nuu n ASN 188 Cb 0.24 -0.50 -0.15 0.00 -1.02 0.00 0.00 39.78 38.34 1nuu n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nuu s ILE 189 N -1.03 2.62 -0.16 2.41 1.01 -0.78 -0.81 121.20 124.46 1nuu s ILE 189 Ca 0.50 -0.83 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1nuu s ILE 189 Cb 0.26 -2.05 0.02 0.00 0.01 0.00 0.00 42.46 40.71 1nuu s ILE 189 CO 0.34 0.55 -0.15 -1.00 0.00 0.00 0.00 174.94 174.68 1nuu s HIS 190 N 0.17 2.31 -0.36 3.97 3.76 0.66 -4.93 115.29 120.89 1nuu s HIS 190 Ca -0.10 -1.35 -0.14 0.00 -0.15 0.00 0.00 55.06 53.32 1nuu s HIS 190 Cb -0.16 -1.66 -0.01 0.00 1.11 0.00 0.00 32.58 31.86 1nuu s HIS 190 CO 0.06 -0.71 0.29 -0.51 -0.85 0.00 0.00 174.74 173.03 1nuu s LEU 191 N 1.44 4.62 -0.27 0.89 1.43 -1.26 -0.14 118.68 125.38 1nuu s LEU 191 Ca 0.04 -0.46 -0.09 0.00 -1.03 0.00 0.00 54.13 52.59 1nuu s LEU 191 Cb -0.13 -2.21 -0.03 0.00 0.03 0.00 0.00 46.19 43.85 1nuu s LEU 191 CO -0.11 -0.32 0.12 0.00 0.23 0.00 0.00 176.35 176.28 1nuu s ALA 192 N 1.82 3.30 0.24 4.21 0.00 0.59 -4.97 121.76 126.96 1nuu s ALA 192 Ca 0.08 -1.15 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 1nuu s ALA 192 Cb -0.17 -2.25 -0.09 0.00 0.00 0.00 0.00 23.12 20.60 1nuu s ALA 192 CO 0.11 -0.56 0.82 0.15 0.00 0.00 0.00 175.76 176.28 1nuu s LYS 193 N 1.67 4.46 -0.56 0.00 1.02 -1.26 -1.64 119.74 123.42 1nuu s LYS 193 Ca 0.06 1.11 -0.13 0.00 0.02 0.00 0.00 55.97 57.04 1nuu s LYS 193 Cb -0.16 -2.96 0.14 0.00 -0.52 0.00 0.00 37.83 34.34 1nuu s LYS 193 CO 0.06 0.40 0.48 -2.00 -0.92 0.00 0.00 175.35 173.38 1nuu s GLU 194 N -1.78 2.88 0.13 1.68 2.56 -1.26 -4.85 118.70 118.07 1nuu s GLU 194 Ca 0.44 -1.89 0.14 0.00 0.00 0.00 0.00 54.97 53.66 1nuu s GLU 194 Cb -0.19 -4.16 0.64 0.00 2.00 0.00 0.00 34.13 32.41 1nuu s GLU 194 CO 0.24 -1.27 1.42 -0.35 -0.56 0.00 0.00 175.26 174.74 1nuu n PRO 195 N 4.85 0.07 -4.04 4.30 -0.04 -1.26 -4.70 135.00 134.18 1nuu n PRO 195 Ca -0.07 0.45 -0.22 0.00 -0.04 0.00 0.00 63.50 63.63 1nuu n PRO 195 Cb 0.41 -1.69 -0.03 0.00 -0.04 0.00 0.00 33.50 32.15 1nuu n PRO 195 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1nuu s VAL 196 N -3.20 4.67 -0.47 0.52 1.01 -1.26 -5.08 120.40 116.59 1nuu s VAL 196 Ca 0.02 -1.26 -0.14 0.00 0.00 0.00 0.00 61.98 60.60 1nuu s VAL 196 Cb 0.06 -3.54 0.09 0.00 0.00 0.00 0.00 36.38 32.98 1nuu s VAL 196 CO 0.20 -0.33 0.38 -1.58 0.00 0.00 0.00 175.10 173.76 1nuu s GLN 197 N -3.90 2.86 -0.57 2.72 2.00 -1.26 -4.98 119.66 116.54 1nuu s GLN 197 Ca 0.34 -1.47 0.05 0.00 -2.00 0.00 0.00 55.36 52.28 1nuu s GLN 197 Cb -0.08 -4.06 0.19 0.00 0.80 0.00 0.00 33.01 29.85 1nuu s GLN 197 CO 0.26 -1.07 0.48 0.09 -0.50 0.00 0.00 175.29 174.55 1nuu n ASN 198 N 5.12 1.61 -3.98 6.67 3.02 -1.26 -4.99 115.26 121.45 1nuu n ASN 198 Ca -0.12 -2.90 -0.36 0.00 -0.03 0.00 0.00 54.58 51.17 1nuu n ASN 198 Cb 0.43 -0.66 -0.05 0.00 -0.61 0.00 0.00 39.78 38.88 1nuu n ASN 198 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1nuu n GLU 199 N 2.07 3.02 -3.77 3.52 4.07 -1.26 -4.96 120.64 123.33 1nuu n GLU 199 Ca 0.25 -4.53 -0.36 0.00 -0.06 0.00 0.00 57.16 52.45 1nuu n GLU 199 Cb 0.42 -2.41 -0.13 0.00 -0.06 0.00 0.00 31.44 29.26 1nuu n GLU 199 CO 0.00 0.00 0.00 0.96 -0.06 0.00 0.00 177.13 178.03 1nuu s ILE 200 N -1.85 4.14 -0.01 6.31 -4.36 -1.26 -5.08 121.20 119.09 1nuu s ILE 200 Ca 0.31 -0.32 -0.26 0.00 -0.26 0.00 0.00 60.65 60.12 1nuu s ILE 200 Cb -0.01 -2.97 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1nuu s ILE 200 CO -0.06 0.29 0.82 -0.55 0.24 0.00 0.00 174.94 175.68 1nuu s SER 201 N 1.58 7.19 0.46 4.36 0.15 -1.26 -4.93 113.70 121.24 1nuu s SER 201 Ca 0.06 1.43 0.18 0.00 0.70 0.00 0.00 55.95 58.32 1nuu s SER 201 Cb -0.15 -2.48 1.09 0.00 -1.71 0.00 0.00 66.02 62.76 1nuu s SER 201 CO 0.03 -0.13 1.98 0.00 1.20 0.00 0.00 173.24 176.31 1nuu h ALA 202 N 6.48 1.49 -0.63 5.45 0.00 -1.93 -1.17 119.26 128.95 1nuu h ALA 202 Ca -0.42 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.25 1nuu h ALA 202 Cb 1.21 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1nuu h ALA 202 CO 0.74 0.25 0.15 1.15 0.00 0.00 0.00 179.25 181.54 1nuu h THR 203 N 0.00 1.26 -0.42 0.00 2.02 -1.92 -1.00 112.91 112.84 1nuu h THR 203 Ca -0.00 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.19 1nuu h THR 203 Cb 0.40 0.65 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1nuu h THR 203 CO 0.03 0.35 0.04 0.22 0.37 0.00 0.00 175.52 176.53 1nuu h TYR 204 N 0.93 0.76 -0.31 3.16 3.20 -1.71 -1.52 116.97 121.49 1nuu h TYR 204 Ca 0.20 -0.12 0.07 0.00 3.14 0.00 0.00 58.73 62.02 1nuu h TYR 204 Cb 0.36 -0.21 -0.07 0.00 1.54 0.00 0.00 36.73 38.36 1nuu h TYR 204 CO 0.03 0.75 -0.12 0.82 -1.64 0.00 0.00 178.16 178.00 1nuu h ILE 205 N 0.56 0.60 -0.70 1.81 1.08 -0.86 0.97 117.51 120.97 1nuu h ILE 205 Ca 0.12 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.60 1nuu h ILE 205 Cb 0.42 0.60 -0.03 0.00 -3.07 0.00 0.00 36.82 34.73 1nuu h ILE 205 CO 0.01 0.00 0.45 0.03 -0.69 0.00 0.00 178.15 177.95 1nuu h ARG 206 N -0.06 0.94 -0.43 2.37 3.08 -1.06 -0.91 114.38 118.31 1nuu h ARG 206 Ca 0.16 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.07 1nuu h ARG 206 Cb 0.30 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.13 1nuu h ARG 206 CO -0.35 0.64 0.02 -0.09 -1.07 0.00 0.00 179.97 179.12 1nuu h ARG 207 N 0.95 0.74 -0.29 0.04 2.43 -0.76 -0.67 114.38 116.83 1nuu h ARG 207 Ca 0.25 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1nuu h ARG 207 Cb -0.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.39 1nuu h ARG 207 CO -0.05 0.80 0.18 0.00 -1.51 0.00 0.00 179.97 179.39 1nuu h ALA 208 N 0.91 0.36 -0.61 2.80 0.00 -0.61 -1.73 119.26 120.37 1nuu h ALA 208 Ca 0.12 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1nuu h ALA 208 Cb 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1nuu h ALA 208 CO 0.02 -0.15 0.37 -0.07 0.00 0.00 0.00 179.25 179.41 1nuu h LEU 209 N 0.38 0.59 -2.14 0.00 3.38 -1.01 -0.42 115.31 116.08 1nuu h LEU 209 Ca 0.10 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nuu h LEU 209 Cb -0.02 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1nuu h LEU 209 CO -0.02 0.41 -0.07 1.23 0.09 0.00 0.00 178.44 180.07 1nuu h GLY 210 N 0.72 0.00 -1.31 0.83 0.00 -0.67 -1.02 103.07 101.61 1nuu h GLY 210 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nuu h GLY 210 CO -0.12 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 1nuu n GLN 211 N -3.57 2.01 -1.42 4.80 6.02 -0.31 -4.94 117.38 119.97 1nuu n GLN 211 Ca -0.02 -1.51 -0.06 0.00 -0.01 0.00 0.00 57.00 55.40 1nuu n GLN 211 Cb 0.19 -1.45 -0.02 0.00 1.02 0.00 0.00 30.24 29.98 1nuu n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nuu n GLY 212 N 1.27 0.68 3.93 1.08 0.00 -0.39 -5.03 105.19 106.73 1nuu n GLY 212 Ca 0.17 -0.73 -0.26 0.00 0.00 0.00 0.00 46.02 45.20 1nuu n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nuu s GLN 213 N -2.98 3.50 0.37 1.61 -0.21 -0.39 -5.02 119.66 116.55 1nuu s GLN 213 Ca 0.00 -0.40 -0.26 0.00 0.02 0.00 0.00 55.36 54.71 1nuu s GLN 213 Cb 0.00 -2.85 -0.09 0.00 1.00 0.00 0.00 33.01 31.08 1nuu s GLN 213 CO 0.00 0.40 1.17 0.45 -2.12 0.00 0.00 175.29 175.19 1nuu s SER 214 N -3.30 6.71 -0.03 5.90 0.15 -1.26 -4.21 113.70 117.66 1nuu s SER 214 Ca 0.38 2.36 0.05 0.00 0.70 0.00 0.00 55.95 59.44 1nuu s SER 214 Cb -0.11 -2.62 0.08 0.00 -1.71 0.00 0.00 66.02 61.66 1nuu s SER 214 CO 0.29 -0.54 0.93 1.33 1.20 0.00 0.00 173.24 176.45 1nuu n VAL 215 N 0.37 0.87 -1.72 4.45 0.24 -1.26 -4.94 118.33 116.33 1nuu n VAL 215 Ca 0.03 -0.97 -0.40 0.00 -2.04 0.00 0.00 64.34 60.96 1nuu n VAL 215 Cb 0.46 0.41 0.03 0.00 -1.47 0.00 0.00 33.84 33.26 1nuu n VAL 215 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1nuu n LYS 216 N -0.57 1.86 -0.87 7.34 4.81 -1.26 -1.36 118.16 128.11 1nuu n LYS 216 Ca 0.04 0.67 0.00 0.00 -0.87 0.00 0.00 58.31 58.15 1nuu n LYS 216 Cb 0.48 -2.49 0.00 0.00 0.02 0.00 0.00 35.03 33.04 1nuu n LYS 216 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nuu n TYR 217 N -0.58 0.00 -0.07 5.64 4.02 -1.26 -4.76 117.16 120.15 1nuu n TYR 217 Ca 0.08 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.90 1nuu n TYR 217 Cb 0.42 -0.60 -0.10 0.00 -0.02 0.00 0.00 39.34 39.04 1nuu n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nuu n LEU 218 N 0.00 0.02 -4.12 7.72 4.77 -0.47 -4.99 117.00 119.94 1nuu n LEU 218 Ca 0.00 -0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 1nuu n LEU 218 Cb 0.05 0.32 -0.10 0.00 -2.33 0.00 0.00 43.42 41.35 1nuu n LEU 218 CO 0.00 0.33 -0.38 0.27 -1.33 0.00 0.00 177.39 176.28 1nuu s ILE 219 N -2.32 0.50 0.37 -0.08 -4.36 -1.17 -1.08 121.20 113.05 1nuu s ILE 219 Ca -0.07 -1.74 -0.27 0.00 -0.26 0.00 0.00 60.65 58.31 1nuu s ILE 219 Cb 0.04 -1.43 -0.11 0.00 1.25 0.00 0.00 42.46 42.21 1nuu s ILE 219 CO 0.54 -0.83 1.33 -2.65 0.24 0.00 0.00 174.94 173.56 1nuu n PRO 220 N 0.27 2.20 -0.25 0.37 -0.02 -1.26 -4.80 135.00 131.51 1nuu n PRO 220 Ca -0.15 0.77 0.06 0.00 -2.02 0.00 0.00 63.50 62.17 1nuu n PRO 220 Cb 0.60 -2.41 0.19 0.00 -0.02 0.00 0.00 33.50 31.85 1nuu n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nuu h ASP 221 N 2.53 0.12 0.14 2.55 3.32 -1.98 0.01 116.42 123.10 1nuu h ASP 221 Ca -0.47 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.66 1nuu h ASP 221 Cb 1.28 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.97 1nuu h ASP 221 CO 0.62 0.01 -0.18 0.00 -1.72 0.00 0.00 179.24 177.97 1nuu h ALA 222 N 1.59 1.60 -0.21 3.45 0.00 -1.91 -1.21 119.26 122.57 1nuu h ALA 222 Ca 0.42 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1nuu h ALA 222 Cb 0.70 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1nuu h ALA 222 CO -0.47 0.30 -0.49 0.28 0.00 0.00 0.00 179.25 178.86 1nuu h VAL 223 N 0.08 1.31 -0.51 0.00 2.07 -1.34 -1.78 116.25 116.07 1nuu h VAL 223 Ca 0.02 -1.71 0.04 0.00 0.82 0.00 0.00 66.70 65.86 1nuu h VAL 223 Cb 0.37 1.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.94 1nuu h VAL 223 CO 0.03 0.54 0.27 0.40 0.02 0.00 0.00 177.57 178.83 1nuu h ILE 224 N 0.41 0.98 -0.37 4.57 2.04 -0.71 -0.17 117.51 124.27 1nuu h ILE 224 Ca -0.00 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.68 1nuu h ILE 224 Cb 1.10 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.57 1nuu h ILE 224 CO 0.11 0.10 0.23 0.74 0.00 0.00 0.00 178.15 179.33 1nuu h THR 225 N 0.53 1.11 -0.49 -0.27 2.02 -1.18 -0.94 112.91 113.69 1nuu h THR 225 Ca 0.22 -0.24 0.02 0.00 0.77 0.00 0.00 66.41 67.18 1nuu h THR 225 Cb 0.10 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1nuu h THR 225 CO -0.14 0.11 0.30 0.22 0.37 0.00 0.00 175.52 176.38 1nuu h TYR 226 N 0.49 0.57 -0.51 3.16 3.20 -0.94 0.68 116.97 123.61 1nuu h TYR 226 Ca 0.13 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.06 1nuu h TYR 226 Cb -0.02 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 1nuu h TYR 226 CO -0.04 0.34 0.28 0.82 -1.64 0.00 0.00 178.16 177.91 1nuu h ILE 227 N 0.61 1.00 0.27 1.81 2.04 -0.62 -0.98 117.51 121.64 1nuu h ILE 227 Ca 0.19 -0.19 -0.01 0.00 1.00 0.00 0.00 64.86 65.85 1nuu h ILE 227 Cb -0.01 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 1nuu h ILE 227 CO -0.07 0.10 -0.13 0.50 0.00 0.00 0.00 178.15 178.54 1nuu h LYS 228 N 0.55 -0.35 -0.97 2.37 3.64 -0.72 -1.74 116.57 119.34 1nuu h LYS 228 Ca 0.22 0.02 0.18 0.00 -1.27 0.00 0.00 60.65 59.80 1nuu h LYS 228 Cb 0.09 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 31.88 1nuu h LYS 228 CO -0.13 -0.09 0.57 -0.44 -2.27 0.00 0.00 179.45 177.09 1nuu h ASP 229 N -0.59 0.73 -0.66 4.20 3.32 -0.63 -2.07 116.42 120.73 1nuu h ASP 229 Ca -0.04 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1nuu h ASP 229 Cb 0.43 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1nuu h ASP 229 CO 0.06 0.27 0.00 1.41 -1.72 0.00 0.00 179.24 179.26 1nuu n HIS 230 N -4.79 1.01 -3.06 4.55 8.25 -0.39 -4.96 115.22 115.83 1nuu n HIS 230 Ca 0.22 -0.47 -0.22 0.00 -0.26 0.00 0.00 57.72 56.99 1nuu n HIS 230 Cb 0.53 -0.05 0.02 0.00 1.12 0.00 0.00 29.99 31.61 1nuu n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nuu n GLY 231 N 1.47 -0.51 3.83 -1.41 0.00 -0.73 -4.97 105.19 102.87 1nuu n GLY 231 Ca 0.23 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 46.03 1nuu n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuu s LEU 232 N -6.51 3.89 -1.48 0.99 1.43 -0.73 -4.06 118.68 112.20 1nuu s LEU 232 Ca 0.30 1.55 -0.04 0.00 -1.03 0.00 0.00 54.13 54.91 1nuu s LEU 232 Cb -0.14 -4.41 0.00 0.00 0.03 0.00 0.00 46.19 41.67 1nuu s LEU 232 CO 0.37 -0.38 0.52 -1.22 0.23 0.00 0.00 176.35 175.86 1nuu n TYR 233 N -0.84 -1.76 0.51 0.29 0.53 -1.26 -4.84 117.16 109.79 1nuu n TYR 233 Ca 0.06 0.44 0.06 0.00 -1.02 0.00 0.00 57.90 57.45 1nuu n TYR 233 Cb 0.54 -4.25 0.05 0.00 -1.03 0.00 0.00 39.34 34.65 1nuu n TYR 233 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09