#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nur s ARG 4 N 0.00 3.02 -0.18 4.33 0.52 -1.26 -4.96 118.95 120.42 1nur s ARG 4 Ca 0.00 -0.92 -0.27 0.00 -0.52 0.00 0.00 55.73 54.03 1nur s ARG 4 Cb 0.00 -2.66 -0.01 0.00 0.52 0.00 0.00 34.95 32.80 1nur s ARG 4 CO 0.00 0.44 0.90 0.42 0.02 0.00 0.00 175.30 177.08 1nur s ILE 5 N -1.95 4.82 0.33 1.52 1.01 -0.55 -4.80 121.20 121.59 1nur s ILE 5 Ca 0.32 1.77 -0.28 0.00 0.00 0.00 0.00 60.65 62.46 1nur s ILE 5 Cb -0.09 -4.20 -0.09 0.00 0.01 0.00 0.00 42.46 38.09 1nur s ILE 5 CO 0.25 -0.02 1.17 -2.84 0.00 0.00 0.00 174.94 173.50 1nur s PRO 6 N 2.38 4.42 0.01 2.79 0.02 -1.26 -1.22 135.00 142.12 1nur s PRO 6 Ca 0.41 1.91 0.02 0.00 0.02 0.00 0.00 61.00 63.36 1nur s PRO 6 Cb -0.16 -3.02 -0.01 0.00 0.02 0.00 0.00 34.50 31.33 1nur s PRO 6 CO 0.12 -0.03 -0.06 0.08 -0.33 0.00 0.00 177.00 176.78 1nur s VAL 7 N -1.23 0.44 -0.07 3.83 1.01 -0.26 -1.00 120.40 123.12 1nur s VAL 7 Ca 0.49 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.09 1nur s VAL 7 Cb -0.33 -0.41 -0.01 0.00 0.00 0.00 0.00 36.38 35.62 1nur s VAL 7 CO 0.43 -0.00 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 1nur s VAL 8 N -0.42 2.39 -0.17 2.92 1.01 -0.90 -0.46 120.40 124.77 1nur s VAL 8 Ca -0.01 -0.95 -0.06 0.00 0.00 0.00 0.00 61.98 60.97 1nur s VAL 8 Cb -0.04 -1.90 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1nur s VAL 8 CO -0.00 0.57 0.02 -0.76 0.00 0.00 0.00 175.10 174.93 1nur s LEU 9 N -0.20 3.61 -0.14 3.92 1.43 0.05 -1.28 118.68 126.07 1nur s LEU 9 Ca -0.02 0.01 0.01 0.00 -1.03 0.00 0.00 54.13 53.10 1nur s LEU 9 Cb -0.13 -1.89 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 1nur s LEU 9 CO 0.03 0.18 -0.18 -0.22 0.23 0.00 0.00 176.35 176.40 1nur s LEU 10 N 0.32 2.38 -0.18 1.79 2.96 0.46 -0.29 118.68 126.12 1nur s LEU 10 Ca 0.01 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.42 1nur s LEU 10 Cb -0.13 -1.52 -0.00 0.00 0.50 0.00 0.00 46.19 45.04 1nur s LEU 10 CO 0.01 0.11 -0.12 0.00 -1.32 0.00 0.00 176.35 175.03 1nur s ALA 11 N 0.65 2.58 0.19 5.97 0.00 0.32 -0.57 121.76 130.91 1nur s ALA 11 Ca -0.09 -1.11 0.05 0.00 0.00 0.00 0.00 51.96 50.82 1nur s ALA 11 Cb -0.16 -1.38 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1nur s ALA 11 CO 0.02 -0.20 0.18 0.00 0.00 0.00 0.00 175.76 175.76 1nur n GLY 13 N -0.67 0.07 0.11 0.00 0.00 -1.24 -4.97 105.19 98.50 1nur n GLY 13 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1nur n GLY 13 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1nur h SER 14 N 0.00 0.00 -6.70 1.61 4.64 -1.93 0.95 113.55 112.13 1nur h SER 14 Ca 0.00 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.81 1nur h SER 14 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.10 1nur h SER 14 CO 0.00 0.60 -0.98 0.49 -0.87 0.00 0.00 176.83 176.06 1nur n PHE 15 N -3.14 -1.75 -3.17 4.77 3.01 -1.26 -4.46 117.46 111.46 1nur n PHE 15 Ca -0.02 0.42 -0.26 0.00 1.01 0.00 0.00 57.45 58.60 1nur n PHE 15 Cb 0.80 -2.94 -0.06 0.00 -0.01 0.00 0.00 39.48 37.27 1nur n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nur n ASN 16 N -2.37 3.48 -4.95 4.37 5.15 -1.26 -3.33 115.26 116.36 1nur n ASN 16 Ca -0.17 -3.44 -0.20 0.00 -0.60 0.00 0.00 54.58 50.17 1nur n ASN 16 Cb 0.61 -0.62 0.04 0.00 -0.53 0.00 0.00 39.78 39.28 1nur n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1nur s PRO 17 N -2.79 2.45 0.41 1.20 0.04 -1.26 -4.83 135.00 130.21 1nur s PRO 17 Ca 0.43 -1.11 -0.26 0.00 0.04 0.00 0.00 61.00 60.10 1nur s PRO 17 Cb 0.23 -2.57 -0.09 0.00 0.04 0.00 0.00 34.50 32.11 1nur s PRO 17 CO -0.08 -0.73 1.32 -1.50 0.04 0.00 0.00 177.00 176.05 1nur s ILE 18 N -2.69 2.54 0.45 0.56 2.07 -1.21 -4.91 121.20 118.01 1nur s ILE 18 Ca 0.59 0.48 0.04 0.00 -1.41 0.00 0.00 60.65 60.36 1nur s ILE 18 Cb -0.09 -3.29 -0.05 0.00 0.13 0.00 0.00 42.46 39.17 1nur s ILE 18 CO 0.38 0.07 0.01 0.42 -1.91 0.00 0.00 174.94 173.91 1nur s THR 19 N -1.25 1.62 0.32 4.00 -4.23 -1.26 -4.71 115.64 110.13 1nur s THR 19 Ca 0.57 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 1nur s THR 19 Cb -0.39 -2.64 0.20 0.00 1.34 0.00 0.00 72.50 71.00 1nur s THR 19 CO 0.50 0.00 1.91 0.78 -0.54 0.00 0.00 174.62 177.27 1nur h ASN 20 N 1.60 0.69 -0.64 3.99 2.35 -1.51 -2.45 115.58 119.61 1nur h ASN 20 Ca -0.44 -0.08 -0.05 0.00 -0.55 0.00 0.00 56.30 55.18 1nur h ASN 20 Cb 1.27 -0.18 -0.03 0.00 0.05 0.00 0.00 38.32 39.44 1nur h ASN 20 CO 0.78 0.62 0.21 -0.03 -1.65 0.00 0.00 177.43 177.37 1nur h MET 21 N 0.75 0.98 -0.67 0.81 4.05 -1.87 0.95 114.93 119.94 1nur h MET 21 Ca 0.18 -0.20 -0.02 0.00 -0.28 0.00 0.00 59.70 59.38 1nur h MET 21 Cb 0.15 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 30.78 1nur h MET 21 CO -0.02 0.85 0.33 0.45 0.23 0.00 0.00 176.91 178.75 1nur h HIS 22 N 0.91 0.93 -0.14 1.39 3.86 -1.83 -1.58 115.15 118.69 1nur h HIS 22 Ca 0.21 -0.03 -0.20 0.00 -1.16 0.00 0.00 60.37 59.18 1nur h HIS 22 Cb 0.27 -0.29 0.01 0.00 1.06 0.00 0.00 27.41 28.45 1nur h HIS 22 CO 0.02 0.68 -0.71 -0.07 0.86 0.00 0.00 177.93 178.70 1nur h LEU 23 N 0.94 0.87 -0.91 2.43 3.38 -1.25 -3.10 115.31 117.67 1nur h LEU 23 Ca 0.23 -0.63 0.10 0.00 0.09 0.00 0.00 57.88 57.67 1nur h LEU 23 Cb 0.09 -0.26 -0.08 0.00 0.09 0.00 0.00 40.66 40.50 1nur h LEU 23 CO -0.03 1.36 0.55 -0.09 0.09 0.00 0.00 178.44 180.32 1nur h ARG 24 N 0.43 0.87 -0.94 1.13 9.65 -0.47 -2.32 114.38 122.73 1nur h ARG 24 Ca -0.05 -0.05 0.12 0.00 -1.10 0.00 0.00 59.98 58.90 1nur h ARG 24 Cb 1.35 -0.20 -0.08 0.00 -1.39 0.00 0.00 29.97 29.65 1nur h ARG 24 CO 0.15 0.58 0.57 0.52 2.80 0.00 0.00 179.97 184.59 1nur h MET 25 N 0.90 0.88 -0.30 0.20 2.86 -1.22 -0.66 114.93 117.59 1nur h MET 25 Ca 0.44 -0.05 -0.02 0.00 -2.06 0.00 0.00 59.70 58.01 1nur h MET 25 Cb 0.40 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.85 1nur h MET 25 CO -0.25 0.58 0.11 0.74 1.06 0.00 0.00 176.91 179.15 1nur h PHE 26 N 0.91 0.47 -0.39 -0.22 -1.00 -1.49 -0.80 116.94 114.41 1nur h PHE 26 Ca 0.47 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.20 1nur h PHE 26 Cb 0.48 -0.14 -0.02 0.00 3.61 0.00 0.00 35.95 39.88 1nur h PHE 26 CO -0.03 0.47 0.19 0.93 -1.61 0.00 0.00 178.31 178.26 1nur h GLU 27 N 0.33 0.55 -0.62 1.51 4.39 -1.34 0.15 114.58 119.55 1nur h GLU 27 Ca 0.10 -0.08 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1nur h GLU 27 Cb 0.21 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 28.73 1nur h GLU 27 CO -0.01 0.48 0.14 0.28 -1.16 0.00 0.00 179.01 178.75 1nur h VAL 28 N 0.49 1.25 -0.41 3.13 2.07 -1.08 -1.47 116.25 120.23 1nur h VAL 28 Ca 0.13 -0.93 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 1nur h VAL 28 Cb 0.11 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.53 1nur h VAL 28 CO -0.02 0.35 0.20 0.00 0.02 0.00 0.00 177.57 178.13 1nur h ALA 29 N 1.04 0.53 -0.29 1.67 0.00 -0.81 -1.61 119.26 119.80 1nur h ALA 29 Ca 0.19 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1nur h ALA 29 Cb 0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1nur h ALA 29 CO 0.00 0.09 0.14 -0.09 0.00 0.00 0.00 179.25 179.38 1nur h ARG 30 N 0.53 0.41 -0.76 0.00 2.43 -0.56 -1.65 114.38 114.78 1nur h ARG 30 Ca 0.14 -0.06 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 1nur h ARG 30 Cb 0.11 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 1nur h ARG 30 CO -0.02 0.40 0.40 -0.44 -1.51 0.00 0.00 179.97 178.80 1nur h ASP 31 N 0.33 0.95 0.20 -3.80 3.32 -1.13 -1.84 116.42 114.45 1nur h ASP 31 Ca 0.10 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1nur h ASP 31 Cb 0.12 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.43 1nur h ASP 31 CO -0.01 0.78 -0.10 -0.74 -1.72 0.00 0.00 179.24 177.45 1nur h HIS 32 N 1.06 -0.25 -0.69 4.55 2.76 -1.04 -0.81 115.15 120.73 1nur h HIS 32 Ca 0.27 -0.01 0.02 0.00 -2.20 0.00 0.00 60.37 58.45 1nur h HIS 32 Cb 0.05 0.08 -0.04 0.00 1.55 0.00 0.00 27.41 29.06 1nur h HIS 32 CO 0.01 -0.06 0.46 -0.07 -1.30 0.00 0.00 177.93 176.96 1nur h LEU 33 N -0.40 0.75 -0.37 0.26 3.38 -1.18 -2.55 115.31 115.21 1nur h LEU 33 Ca -0.03 -0.01 -0.15 0.00 0.09 0.00 0.00 57.88 57.78 1nur h LEU 33 Cb 0.30 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nur h LEU 33 CO 0.05 0.53 -0.36 0.45 0.09 0.00 0.00 178.44 179.19 1nur h HIS 34 N 0.88 1.07 0.00 1.13 3.86 -1.17 -3.00 115.15 117.91 1nur h HIS 34 Ca 0.27 -0.32 0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1nur h HIS 34 Cb -0.01 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.23 1nur h HIS 34 CO -0.00 1.13 0.00 1.04 0.86 0.00 0.00 177.93 180.96 1nur n GLN 35 N -4.11 0.08 0.07 2.45 6.02 -0.32 -0.35 117.38 121.22 1nur n GLN 35 Ca -0.03 0.43 0.13 0.00 -0.01 0.00 0.00 57.00 57.53 1nur n GLN 35 Cb 0.53 -1.69 0.45 0.00 1.02 0.00 0.00 30.24 30.55 1nur n GLN 35 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 1nur n THR 36 N -1.85 0.38 -0.92 5.09 -2.24 -1.13 -4.91 114.28 108.70 1nur n THR 36 Ca 0.01 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 1nur n THR 36 Cb 0.12 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1nur n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nur n GLY 37 N 1.37 0.73 0.00 3.38 0.00 0.53 -4.85 105.19 106.36 1nur n GLY 37 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1nur n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nur n MET 38 N -2.04 0.77 -4.22 1.61 0.00 -1.26 -4.83 117.12 107.15 1nur n MET 38 Ca 0.00 -0.93 -0.17 0.00 0.00 0.00 0.00 57.70 56.59 1nur n MET 38 Cb 0.02 -0.99 -0.11 0.00 0.00 0.00 0.00 33.22 32.14 1nur n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nur s TYR 39 N -0.44 1.29 -0.21 3.17 1.51 -1.25 -1.48 117.35 119.95 1nur s TYR 39 Ca 0.00 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.47 1nur s TYR 39 Cb 0.00 -0.69 0.06 0.00 -0.11 0.00 0.00 41.96 41.23 1nur s TYR 39 CO 0.00 0.10 0.04 -1.14 -1.11 0.00 0.00 175.55 173.44 1nur s GLN 40 N -2.59 0.67 -0.20 -0.62 0.74 -0.36 -4.34 119.66 112.97 1nur s GLN 40 Ca 0.07 -0.50 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 1nur s GLN 40 Cb -0.05 -2.09 -0.00 0.00 1.10 0.00 0.00 33.01 31.96 1nur s GLN 40 CO 0.02 -0.68 1.19 0.08 -0.55 0.00 0.00 175.29 175.35 1nur s VAL 41 N 1.83 4.41 -0.76 1.34 1.01 -1.26 -1.10 120.40 125.86 1nur s VAL 41 Ca 0.00 1.69 0.19 0.00 0.00 0.00 0.00 61.98 63.87 1nur s VAL 41 Cb -0.17 -4.12 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1nur s VAL 41 CO -0.10 -0.18 0.76 2.30 0.00 0.00 0.00 175.10 177.88 1nur n ILE 42 N 5.41 0.00 -3.58 2.22 -5.35 0.39 -4.90 119.36 113.55 1nur n ILE 42 Ca 0.13 -0.12 -0.08 0.00 -0.27 0.00 0.00 62.75 62.42 1nur n ILE 42 Cb 0.45 0.83 -0.04 0.00 -1.74 0.00 0.00 39.64 39.15 1nur n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nur s GLN 43 N -2.93 0.49 0.03 6.28 0.74 -1.23 -4.98 119.66 118.07 1nur s GLN 43 Ca 0.05 -0.01 0.07 0.00 0.05 0.00 0.00 55.36 55.52 1nur s GLN 43 Cb 0.14 0.23 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 1nur s GLN 43 CO 0.80 -0.18 -0.20 0.20 -0.55 0.00 0.00 175.29 175.36 1nur s GLY 44 N -1.56 1.07 -0.08 2.59 0.00 0.07 -0.77 107.32 108.64 1nur s GLY 44 Ca 0.03 -0.99 0.01 0.00 0.00 0.00 0.00 44.72 43.77 1nur s GLY 44 CO -0.03 -0.90 -0.11 -0.42 0.00 0.00 0.00 173.10 171.65 1nur s ILE 45 N -0.70 1.08 -0.27 0.90 1.01 0.60 -0.98 121.20 122.84 1nur s ILE 45 Ca 0.07 -0.41 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1nur s ILE 45 Cb -0.08 -1.02 -0.05 0.00 0.01 0.00 0.00 42.46 41.32 1nur s ILE 45 CO 0.01 0.35 0.16 -0.63 0.00 0.00 0.00 174.94 174.84 1nur s ILE 46 N 0.98 5.15 -0.44 2.92 -1.09 0.09 -0.52 121.20 128.29 1nur s ILE 46 Ca -0.09 0.11 0.04 0.00 -2.23 0.00 0.00 60.65 58.48 1nur s ILE 46 Cb -0.15 -3.43 0.12 0.00 -1.58 0.00 0.00 42.46 37.41 1nur s ILE 46 CO -0.00 0.28 0.16 -0.55 -1.23 0.00 0.00 174.94 173.61 1nur s SER 47 N 1.59 4.49 0.38 3.58 0.15 -0.22 -0.25 113.70 123.42 1nur s SER 47 Ca 0.07 -2.61 -0.27 0.00 0.70 0.00 0.00 55.95 53.84 1nur s SER 47 Cb -0.15 -1.60 -0.09 0.00 -1.71 0.00 0.00 66.02 62.46 1nur s SER 47 CO 0.09 -0.30 1.34 -2.84 1.20 0.00 0.00 173.24 172.73 1nur s PRO 48 N 0.28 4.07 0.59 5.44 0.02 -1.26 -3.64 135.00 140.49 1nur s PRO 48 Ca 0.14 2.26 -0.19 0.00 0.02 0.00 0.00 61.00 63.23 1nur s PRO 48 Cb -0.23 -2.87 -0.04 0.00 0.02 0.00 0.00 34.50 31.39 1nur s PRO 48 CO -0.04 -0.44 1.24 0.54 -0.33 0.00 0.00 177.00 177.97 1nur s VAL 49 N -1.20 2.46 0.75 3.83 0.11 0.33 -3.53 120.40 123.15 1nur s VAL 49 Ca 0.54 0.30 -0.11 0.00 -2.93 0.00 0.00 61.98 59.78 1nur s VAL 49 Cb -0.40 -3.13 0.04 0.00 -1.53 0.00 0.00 36.38 31.36 1nur s VAL 49 CO 0.53 -0.05 1.08 0.54 -3.33 0.00 0.00 175.10 173.86 1nur s ASN 50 N -1.45 4.86 0.40 3.54 4.22 -1.26 -4.71 114.94 120.55 1nur s ASN 50 Ca 0.77 1.51 0.29 0.00 -2.14 0.00 0.00 52.86 53.29 1nur s ASN 50 Cb -0.33 -2.31 1.36 0.00 1.28 0.00 0.00 41.25 41.25 1nur s ASN 50 CO 0.36 -1.76 1.86 0.44 -2.04 0.00 0.00 177.10 175.97 1nur h ASP 51 N -0.94 0.00 1.51 3.54 3.32 -1.92 -3.14 116.42 118.80 1nur h ASP 51 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 1nur h ASP 51 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 1nur h ASP 51 CO 0.57 0.00 0.00 0.71 -1.72 0.00 0.00 179.24 178.80 1nur h THR 52 N 0.00 0.00 -4.08 0.35 1.35 -1.92 -3.47 112.91 105.14 1nur h THR 52 Ca 0.00 -0.55 -0.52 0.00 -0.55 0.00 0.00 66.41 64.79 1nur h THR 52 Cb 0.23 1.53 0.10 0.00 -1.73 0.00 0.00 68.15 68.28 1nur h THR 52 CO 0.00 0.00 0.48 -0.47 -0.25 0.00 0.00 175.52 175.28 1nur s TYR 53 N -3.14 2.49 0.00 4.73 5.04 -1.19 -4.90 117.35 120.38 1nur s TYR 53 Ca 0.10 1.51 0.00 0.00 -2.44 0.00 0.00 57.07 56.24 1nur s TYR 53 Cb 0.11 -3.46 0.00 0.00 0.35 0.00 0.00 41.96 38.95 1nur s TYR 53 CO 0.60 -2.08 0.00 0.41 -1.34 0.00 0.00 175.55 173.14 1nur n GLY 54 N 0.46 -1.16 0.67 8.97 0.00 -1.26 -4.65 105.19 108.22 1nur n GLY 54 Ca 0.12 -1.08 0.04 0.00 0.00 0.00 0.00 46.02 45.11 1nur n GLY 54 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1nur n LYS 55 N -1.65 0.53 -4.93 1.61 2.85 -1.26 -5.02 118.16 110.29 1nur n LYS 55 Ca 0.00 -1.96 -0.28 0.00 -1.05 0.00 0.00 58.31 55.02 1nur n LYS 55 Cb 0.01 -0.77 -0.16 0.00 -0.65 0.00 0.00 35.03 33.45 1nur n LYS 55 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1nur s LYS 56 N -1.15 2.15 0.34 -1.58 2.20 -1.26 -5.11 119.74 115.33 1nur s LYS 56 Ca 0.22 -0.67 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 1nur s LYS 56 Cb 0.22 -1.77 -0.12 0.00 -1.51 0.00 0.00 37.83 34.65 1nur s LYS 56 CO -0.05 0.20 1.46 -0.25 -0.36 0.00 0.00 175.35 176.36 1nur n ASP 57 N 3.34 3.51 -4.13 1.43 9.92 -1.26 -5.03 116.55 124.34 1nur n ASP 57 Ca -0.19 1.20 -0.18 0.00 -0.53 0.00 0.00 54.79 55.08 1nur n ASP 57 Cb 0.53 -1.57 -0.13 0.00 -0.64 0.00 0.00 41.12 39.31 1nur n ASP 57 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nur s LEU 58 N -1.32 2.20 0.76 0.64 1.43 -1.26 -5.12 118.68 116.01 1nur s LEU 58 Ca 0.57 -0.50 -0.14 0.00 -1.03 0.00 0.00 54.13 53.04 1nur s LEU 58 Cb -0.51 -0.51 0.06 0.00 0.03 0.00 0.00 46.19 45.25 1nur s LEU 58 CO 0.59 -0.02 1.17 0.00 0.23 0.00 0.00 176.35 178.32 1nur s ALA 59 N -1.00 2.05 0.50 4.21 0.00 -1.26 -4.88 121.76 121.39 1nur s ALA 59 Ca -0.01 0.73 -0.23 0.00 0.00 0.00 0.00 51.96 52.46 1nur s ALA 59 Cb -0.08 -3.43 -0.07 0.00 0.00 0.00 0.00 23.12 19.53 1nur s ALA 59 CO 0.01 -1.96 1.23 0.00 0.00 0.00 0.00 175.76 175.04 1nur n ALA 60 N -3.03 1.11 -0.03 0.00 0.00 -1.26 -4.75 120.51 112.55 1nur n ALA 60 Ca 0.12 0.17 0.22 0.00 0.00 0.00 0.00 53.44 53.95 1nur n ALA 60 Cb 0.51 -2.26 0.70 0.00 0.00 0.00 0.00 19.45 18.41 1nur n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nur h SER 61 N 1.53 0.00 -0.62 0.00 4.64 -1.89 -0.26 113.55 116.95 1nur h SER 61 Ca -0.49 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.84 1nur h SER 61 Cb 1.31 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.37 1nur h SER 61 CO 0.57 0.00 0.40 -0.74 -0.87 0.00 0.00 176.83 176.19 1nur h HIS 62 N 0.00 0.76 -0.10 4.77 -0.00 -1.95 -1.03 115.15 117.60 1nur h HIS 62 Ca 0.29 0.02 -0.21 0.00 -0.00 0.00 0.00 60.37 60.47 1nur h HIS 62 Cb 1.17 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 28.33 1nur h HIS 62 CO 0.00 0.47 -0.77 0.45 -0.00 0.00 0.00 177.93 178.08 1nur h HIS 63 N 0.82 0.78 -0.43 5.26 3.86 -1.41 -2.39 115.15 121.64 1nur h HIS 63 Ca 0.23 -0.35 -0.11 0.00 -1.16 0.00 0.00 60.37 58.97 1nur h HIS 63 Cb -0.07 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 1nur h HIS 63 CO -0.04 1.15 -0.19 0.00 0.86 0.00 0.00 177.93 179.71 1nur h ARG 64 N 0.39 0.84 -0.46 2.45 3.08 -1.18 0.09 114.38 119.57 1nur h ARG 64 Ca -0.05 -0.33 -0.14 0.00 0.07 0.00 0.00 59.98 59.54 1nur h ARG 64 Cb 1.38 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.37 1nur h ARG 64 CO 0.14 0.95 -0.25 0.28 -1.07 0.00 0.00 179.97 180.03 1nur h VAL 65 N 0.73 1.27 -0.42 2.04 2.07 -1.24 -2.15 116.25 118.56 1nur h VAL 65 Ca 0.11 -1.42 -0.02 0.00 0.82 0.00 0.00 66.70 66.18 1nur h VAL 65 Cb 0.71 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 31.64 1nur h VAL 65 CO 0.05 0.49 0.19 0.00 0.02 0.00 0.00 177.57 178.32 1nur h ALA 66 N 0.85 0.54 -0.70 1.67 0.00 -1.03 -0.82 119.26 119.78 1nur h ALA 66 Ca 0.10 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1nur h ALA 66 Cb 0.84 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 1nur h ALA 66 CO 0.07 0.12 0.28 0.52 0.00 0.00 0.00 179.25 180.24 1nur h MET 67 N 0.53 1.04 -0.54 0.00 2.07 -0.96 -0.34 114.93 116.73 1nur h MET 67 Ca 0.14 -0.19 -0.03 0.00 -2.07 0.00 0.00 59.70 57.55 1nur h MET 67 Cb 0.14 -0.17 -0.02 0.00 -1.87 0.00 0.00 31.60 29.68 1nur h MET 67 CO -0.02 0.86 0.22 0.00 1.07 0.00 0.00 176.91 179.05 1nur h ALA 68 N 1.13 0.70 -0.28 6.32 0.00 -1.14 0.79 119.26 126.77 1nur h ALA 68 Ca 0.23 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nur h ALA 68 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1nur h ALA 68 CO -0.02 0.31 0.17 -0.09 0.00 0.00 0.00 179.25 179.62 1nur h ARG 69 N 0.73 0.38 -0.65 0.00 2.43 -0.74 0.16 114.38 116.70 1nur h ARG 69 Ca 0.18 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.28 1nur h ARG 69 Cb 0.19 -0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.63 1nur h ARG 69 CO -0.02 0.30 0.25 -0.07 -1.51 0.00 0.00 179.97 178.92 1nur h LEU 70 N 0.36 0.90 -1.52 3.80 3.38 -0.86 -2.47 115.31 118.89 1nur h LEU 70 Ca 0.10 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.84 1nur h LEU 70 Cb 0.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 1nur h LEU 70 CO -0.02 0.84 -0.21 0.00 0.09 0.00 0.00 178.44 179.14 1nur h ALA 71 N 1.10 1.61 -0.20 1.53 0.00 -0.47 -2.83 119.26 119.99 1nur h ALA 71 Ca 0.21 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1nur h ALA 71 Cb 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nur h ALA 71 CO -0.02 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.81 1nur n LEU 72 N -4.27 2.02 -0.15 0.00 4.77 0.01 -4.30 117.00 115.08 1nur n LEU 72 Ca -0.02 -0.84 0.02 0.00 -0.03 0.00 0.00 56.01 55.13 1nur n LEU 72 Cb 0.28 -0.13 0.30 0.00 -2.33 0.00 0.00 43.42 41.55 1nur n LEU 72 CO 0.37 0.42 1.22 -0.61 -1.33 0.00 0.00 177.39 177.46 1nur h GLN 73 N 2.69 0.85 -0.62 3.23 5.75 -1.20 -1.64 115.11 124.17 1nur h GLN 73 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1nur h GLN 73 Cb 0.59 -0.19 0.00 0.00 1.07 0.00 0.00 27.48 28.95 1nur h GLN 73 CO 0.00 0.56 0.00 0.25 -2.65 0.00 0.00 178.83 176.99 1nur n THR 74 N -4.44 1.14 -4.33 2.39 -2.24 -1.26 -4.82 114.28 100.72 1nur n THR 74 Ca 0.07 -0.69 -0.34 0.00 -2.27 0.00 0.00 64.05 60.81 1nur n THR 74 Cb 0.04 -0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.06 1nur n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nur s SER 75 N -0.66 5.16 -0.02 3.42 0.15 -0.62 -4.99 113.70 116.13 1nur s SER 75 Ca 0.29 0.05 0.20 0.00 0.70 0.00 0.00 55.95 57.20 1nur s SER 75 Cb 0.20 -1.63 0.61 0.00 -1.71 0.00 0.00 66.02 63.49 1nur s SER 75 CO 0.13 0.29 1.51 -0.90 1.20 0.00 0.00 173.24 175.47 1nur n ASP 76 N 2.75 3.94 0.00 5.45 5.68 -1.26 -4.56 116.55 128.55 1nur n ASP 76 Ca -0.18 -2.08 0.00 0.00 -0.50 0.00 0.00 54.79 52.04 1nur n ASP 76 Cb 0.53 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1nur n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nur n TRP 77 N 1.40 0.00 -4.58 2.11 4.27 -1.26 -5.08 117.44 114.29 1nur n TRP 77 Ca 0.23 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.50 1nur n TRP 77 Cb 0.64 0.00 -0.12 0.00 -1.36 0.00 0.00 31.31 30.47 1nur n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nur s ILE 78 N 0.00 3.66 0.06 -1.67 1.01 -1.26 -0.75 121.20 122.25 1nur s ILE 78 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 60.65 60.19 1nur s ILE 78 Cb 0.00 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.90 1nur s ILE 78 CO 0.00 0.55 -0.05 0.00 0.00 0.00 0.00 174.94 175.44 1nur s ARG 79 N -0.24 0.64 0.02 2.79 1.70 -0.16 -4.84 118.95 118.87 1nur s ARG 79 Ca 0.03 -1.09 -0.15 0.00 -0.47 0.00 0.00 55.73 54.04 1nur s ARG 79 Cb -0.13 -0.06 -0.06 0.00 -0.57 0.00 0.00 34.95 34.13 1nur s ARG 79 CO 0.03 -0.03 0.44 0.54 -1.08 0.00 0.00 175.30 175.19 1nur s VAL 80 N -2.98 4.97 -0.19 4.99 0.11 -1.26 -0.73 120.40 125.30 1nur s VAL 80 Ca 0.03 0.90 0.01 0.00 -2.93 0.00 0.00 61.98 59.98 1nur s VAL 80 Cb 0.01 -3.74 0.04 0.00 -1.53 0.00 0.00 36.38 31.15 1nur s VAL 80 CO -0.05 0.56 -0.12 -0.62 -3.33 0.00 0.00 175.10 171.54 1nur s ASP 81 N -1.12 3.33 0.00 3.54 2.15 0.65 -4.86 116.67 120.35 1nur s ASP 81 Ca 0.25 -0.83 0.27 0.00 0.43 0.00 0.00 52.55 52.67 1nur s ASP 81 Cb -0.17 -1.28 1.40 0.00 -0.30 0.00 0.00 42.92 42.57 1nur s ASP 81 CO 0.15 -0.12 1.92 -0.81 -0.17 0.00 0.00 175.17 176.14 1nur n PRO 82 N 4.67 0.47 -0.21 4.34 -0.04 -1.26 -4.36 135.00 138.61 1nur n PRO 82 Ca -0.16 0.03 -0.04 0.00 -0.04 0.00 0.00 63.50 63.29 1nur n PRO 82 Cb 0.47 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.45 1nur n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nur h TRP 83 N 0.00 -0.79 -0.72 0.54 7.01 -1.95 -0.65 115.95 119.40 1nur h TRP 83 Ca 0.00 0.07 0.04 0.00 2.11 0.00 0.00 58.89 61.11 1nur h TRP 83 Cb 0.20 0.43 -0.05 0.00 -2.10 0.00 0.00 29.16 27.65 1nur h TRP 83 CO 0.00 -0.36 0.44 1.49 -2.79 0.00 0.00 178.44 177.22 1nur h GLU 84 N -0.13 0.81 0.00 2.65 4.81 -1.85 -2.32 114.58 118.55 1nur h GLU 84 Ca 0.25 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 1nur h GLU 84 Cb 0.54 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nur h GLU 84 CO -0.68 0.54 0.00 0.66 -0.73 0.00 0.00 179.01 178.80 1nur h SER 85 N 0.83 0.00 0.41 1.04 4.64 -1.27 -2.91 113.55 116.31 1nur h SER 85 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 1nur h SER 85 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nur h SER 85 CO -0.14 0.00 -0.27 -0.62 -0.87 0.00 0.00 176.83 174.93 1nur n GLU 86 N -2.57 0.48 -2.25 4.77 1.02 -0.38 -4.55 120.64 117.16 1nur n GLU 86 Ca 0.03 -0.24 -0.34 0.00 -0.02 0.00 0.00 57.16 56.60 1nur n GLU 86 Cb 0.36 -1.50 -0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1nur n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nur s GLN 87 N -2.69 3.44 0.24 3.49 -1.52 -1.10 -4.93 119.66 116.60 1nur s GLN 87 Ca 0.21 1.39 -0.05 0.00 -1.95 0.00 0.00 55.36 54.95 1nur s GLN 87 Cb 0.19 -2.04 0.37 0.00 -0.22 0.00 0.00 33.01 31.31 1nur s GLN 87 CO 0.56 -0.73 1.81 0.00 -0.25 0.00 0.00 175.29 176.69 1nur h ALA 88 N 0.99 1.15 -2.25 6.09 0.00 -1.90 -3.45 119.26 119.89 1nur h ALA 88 Ca -0.49 0.03 -0.37 0.00 0.00 0.00 0.00 54.91 54.08 1nur h ALA 88 Cb 1.23 -0.14 -0.14 0.00 0.00 0.00 0.00 17.79 18.74 1nur h ALA 88 CO 0.57 0.12 -0.63 1.14 0.00 0.00 0.00 179.25 180.45 1nur s GLN 89 N -6.04 1.40 0.50 0.00 -2.07 -1.26 -4.89 119.66 107.30 1nur s GLN 89 Ca -0.12 -1.74 -0.24 0.00 -1.82 0.00 0.00 55.36 51.44 1nur s GLN 89 Cb 0.19 -0.44 -0.07 0.00 -1.09 0.00 0.00 33.01 31.60 1nur s GLN 89 CO 0.78 -0.22 1.41 1.87 -1.32 0.00 0.00 175.29 177.81 1nur n TRP 90 N -0.47 2.55 -4.62 9.60 -0.00 -1.26 -4.95 117.44 118.29 1nur n TRP 90 Ca -0.02 0.43 -0.26 0.00 -0.00 0.00 0.00 57.50 57.65 1nur n TRP 90 Cb 0.65 -2.42 -0.14 0.00 -0.00 0.00 0.00 31.31 29.41 1nur n TRP 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 1nur s MET 91 N -2.68 1.39 0.59 5.87 -2.45 -1.26 -5.06 119.30 115.70 1nur s MET 91 Ca 0.66 -0.98 -0.18 0.00 -1.25 0.00 0.00 55.69 53.95 1nur s MET 91 Cb -0.43 -1.53 -0.03 0.00 1.25 0.00 0.00 34.83 34.09 1nur s MET 91 CO 0.53 0.39 1.13 -1.21 1.05 0.00 0.00 175.02 176.91 1nur s GLU 92 N -1.27 3.09 0.19 4.11 8.01 -1.26 -4.88 118.70 126.69 1nur s GLU 92 Ca 0.08 1.57 -0.13 0.00 0.01 0.00 0.00 54.97 56.50 1nur s GLU 92 Cb -0.09 -1.97 0.21 0.00 -4.31 0.00 0.00 34.13 27.97 1nur s GLU 92 CO 0.02 -1.05 1.69 1.15 0.01 0.00 0.00 175.26 177.08 1nur h THR 93 N 0.73 0.62 -0.53 3.63 2.02 -2.00 -0.46 112.91 116.92 1nur h THR 93 Ca -0.49 -0.05 0.12 0.00 0.77 0.00 0.00 66.41 66.75 1nur h THR 93 Cb 1.26 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 68.10 1nur h THR 93 CO 0.55 0.03 0.37 1.62 0.37 0.00 0.00 175.52 178.46 1nur h VAL 94 N 0.16 0.83 -0.02 3.16 3.04 -1.92 -1.03 116.25 120.47 1nur h VAL 94 Ca 0.27 -0.07 -0.16 0.00 -1.01 0.00 0.00 66.70 65.73 1nur h VAL 94 Cb 0.40 0.60 -0.02 0.00 -2.01 0.00 0.00 31.29 30.26 1nur h VAL 94 CO -0.41 0.04 -0.72 0.11 -1.01 0.00 0.00 177.57 175.59 1nur h LYS 95 N 0.21 0.11 -0.29 4.17 1.57 -1.44 -1.35 116.57 119.55 1nur h LYS 95 Ca 0.25 -0.09 -0.17 0.00 -1.87 0.00 0.00 60.65 58.77 1nur h LYS 95 Cb 0.71 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 1nur h LYS 95 CO -0.05 0.78 -0.49 0.28 -0.57 0.00 0.00 179.45 179.40 1nur h VAL 96 N 0.07 1.28 -0.45 0.50 2.07 -1.01 -1.81 116.25 116.91 1nur h VAL 96 Ca -0.02 -1.68 0.00 0.00 0.82 0.00 0.00 66.70 65.83 1nur h VAL 96 Cb 1.27 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1nur h VAL 96 CO 0.10 0.54 0.28 -0.07 0.02 0.00 0.00 177.57 178.45 1nur h LEU 97 N 0.61 0.53 -0.68 2.57 3.38 -1.20 -0.76 115.31 119.75 1nur h LEU 97 Ca 0.02 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.98 1nur h LEU 97 Cb 1.10 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.67 1nur h LEU 97 CO 0.11 0.41 0.43 0.03 0.09 0.00 0.00 178.44 179.51 1nur h ARG 98 N 0.60 0.83 0.27 1.13 3.08 -1.15 0.24 114.38 119.38 1nur h ARG 98 Ca 0.16 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1nur h ARG 98 Cb -0.03 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1nur h ARG 98 CO -0.03 0.55 -0.13 1.25 -1.07 0.00 0.00 179.97 180.54 1nur h HIS 99 N 0.86 -0.34 -0.04 3.04 2.76 -0.92 0.83 115.15 121.34 1nur h HIS 99 Ca 0.27 -0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.38 1nur h HIS 99 Cb -0.01 0.11 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1nur h HIS 99 CO -0.04 -0.11 -0.22 0.45 -1.30 0.00 0.00 177.93 176.71 1nur h HIS 100 N -0.51 0.07 0.04 5.26 3.86 -0.96 -0.40 115.15 122.51 1nur h HIS 100 Ca -0.04 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 1nur h HIS 100 Cb 0.38 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.83 1nur h HIS 100 CO -0.02 0.29 -0.02 1.25 0.86 0.00 0.00 177.93 180.29 1nur h HIS 101 N 0.06 -0.05 -0.54 2.45 6.17 -0.23 -2.31 115.15 120.70 1nur h HIS 101 Ca 0.01 -0.00 0.09 0.00 0.71 0.00 0.00 60.37 61.18 1nur h HIS 101 Cb 0.43 0.02 -0.03 0.00 2.52 0.00 0.00 27.41 30.35 1nur h HIS 101 CO 0.00 0.16 0.37 0.77 0.71 0.00 0.00 177.93 179.94 1nur h SER 102 N -0.26 0.31 0.52 3.26 0.02 -0.17 0.81 113.55 118.04 1nur h SER 102 Ca -0.01 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1nur h SER 102 Cb 0.23 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.71 1nur h SER 102 CO 0.01 0.19 -0.28 0.50 -1.14 0.00 0.00 176.83 176.11 1nur h LYS 103 N 0.34 0.00 0.00 3.45 3.64 -0.57 -2.25 116.57 121.18 1nur h LYS 103 Ca 0.25 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.61 1nur h LYS 103 Cb 0.53 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.34 1nur h LYS 103 CO -0.06 0.28 -0.23 -0.07 -2.27 0.00 0.00 179.45 177.10 1nur h LEU 104 N 0.00 0.00 -9.50 5.20 3.38 -0.34 -3.51 115.31 110.54 1nur h LEU 104 Ca -0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1nur h LEU 104 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 1nur h LEU 104 CO 0.04 0.10 0.51 -0.76 0.09 0.00 0.00 178.44 178.42 1nur s LEU 105 N -6.16 4.39 0.00 1.67 1.43 -0.85 -4.90 118.68 114.27 1nur s LEU 105 Ca 0.05 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.12 1nur s LEU 105 Cb 0.06 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.70 1nur s LEU 105 CO 0.70 -0.39 0.00 0.00 0.23 0.00 0.00 176.35 176.89 1nur n ALA 126 N 3.63 -0.27 -2.76 4.21 0.00 -1.26 -5.03 120.51 119.03 1nur n ALA 126 Ca 0.07 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.18 1nur n ALA 126 Cb 0.47 -0.22 -0.07 0.00 0.00 0.00 0.00 19.45 19.63 1nur n ALA 126 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1nur s VAL 127 N -0.89 4.63 0.74 0.00 0.11 -1.26 -5.09 120.40 118.64 1nur s VAL 127 Ca 0.00 -0.41 -0.15 0.00 -2.93 0.00 0.00 61.98 58.48 1nur s VAL 127 Cb 0.00 -3.09 0.04 0.00 -1.53 0.00 0.00 36.38 31.80 1nur s VAL 127 CO 0.00 0.38 1.24 -2.84 -3.33 0.00 0.00 175.10 170.55 1nur s PRO 128 N -1.63 2.03 -0.18 1.54 0.02 -1.26 -4.91 135.00 130.61 1nur s PRO 128 Ca 0.21 1.87 -0.23 0.00 0.02 0.00 0.00 61.00 62.88 1nur s PRO 128 Cb -0.12 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.57 1nur s PRO 128 CO 0.12 -1.94 0.71 -1.21 -0.33 0.00 0.00 177.00 174.35 1nur s GLU 129 N -3.83 4.26 -0.27 5.54 2.02 -0.17 -4.90 118.70 121.35 1nur s GLU 129 Ca 0.77 0.79 -0.20 0.00 0.02 0.00 0.00 54.97 56.35 1nur s GLU 129 Cb -0.32 -3.57 -0.02 0.00 0.10 0.00 0.00 34.13 30.32 1nur s GLU 129 CO 0.46 -0.25 0.60 -1.17 0.02 0.00 0.00 175.26 174.92 1nur s LEU 130 N 1.91 4.08 0.06 1.80 2.96 -1.26 -2.11 118.68 126.12 1nur s LEU 130 Ca 0.33 0.58 0.09 0.00 -0.22 0.00 0.00 54.13 54.91 1nur s LEU 130 Cb -0.16 -2.79 -0.03 0.00 0.50 0.00 0.00 46.19 43.71 1nur s LEU 130 CO 0.12 -0.37 -0.25 -0.54 -1.32 0.00 0.00 176.35 173.99 1nur s LYS 131 N 2.47 1.59 -0.14 1.98 1.02 -0.40 -4.09 119.74 122.17 1nur s LYS 131 Ca 0.24 -1.11 -0.26 0.00 0.02 0.00 0.00 55.97 54.87 1nur s LYS 131 Cb -0.15 -1.81 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 1nur s LYS 131 CO 0.09 0.46 0.83 -1.17 -0.92 0.00 0.00 175.35 174.64 1nur s LEU 132 N -1.39 4.22 -0.18 3.17 2.96 -0.20 -0.40 118.68 126.86 1nur s LEU 132 Ca 0.11 1.23 -0.14 0.00 -0.22 0.00 0.00 54.13 55.11 1nur s LEU 132 Cb -0.10 -3.25 -0.05 0.00 0.50 0.00 0.00 46.19 43.30 1nur s LEU 132 CO 0.03 -0.34 0.29 -0.22 -1.32 0.00 0.00 176.35 174.78 1nur s LEU 133 N 1.83 4.20 0.31 -0.68 2.96 0.27 -1.05 118.68 126.52 1nur s LEU 133 Ca 0.40 0.44 -0.16 0.00 -0.22 0.00 0.00 54.13 54.59 1nur s LEU 133 Cb -0.17 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.19 1nur s LEU 133 CO 0.15 0.06 0.68 0.00 -1.32 0.00 0.00 176.35 175.91 1nur s GLY 135 N -3.01 1.52 0.63 0.00 0.00 -1.26 -0.98 107.32 104.21 1nur s GLY 135 Ca 0.16 -0.50 0.42 0.00 0.00 0.00 0.00 44.72 44.80 1nur s GLY 135 CO 0.10 -0.32 2.28 0.00 0.00 0.00 0.00 173.10 175.16 1nur h ALA 136 N 0.16 1.00 0.00 3.20 0.00 -1.65 -1.54 119.26 120.43 1nur h ALA 136 Ca -0.47 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.39 1nur h ALA 136 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1nur h ALA 136 CO 0.62 0.00 -0.27 0.38 0.00 0.00 0.00 179.25 179.97 1nur h ASP 137 N 0.00 0.00 -0.20 0.00 2.03 -1.92 -2.29 116.42 114.04 1nur h ASP 137 Ca 0.00 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1nur h ASP 137 Cb 0.05 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.54 1nur h ASP 137 CO 0.00 0.27 -0.37 0.58 -1.03 0.00 0.00 179.24 178.69 1nur h VAL 138 N 0.00 1.29 -0.19 4.15 2.07 -1.66 -2.69 116.25 119.22 1nur h VAL 138 Ca -0.00 -1.53 -0.02 0.00 0.82 0.00 0.00 66.70 65.97 1nur h VAL 138 Cb 0.55 1.44 -0.01 0.00 -1.52 0.00 0.00 31.29 31.75 1nur h VAL 138 CO 0.04 0.50 0.04 0.25 0.02 0.00 0.00 177.57 178.41 1nur h LEU 139 N 0.60 0.23 -0.48 2.57 5.85 -1.50 -1.40 115.31 121.20 1nur h LEU 139 Ca 0.06 -0.02 -0.17 0.00 0.84 0.00 0.00 57.88 58.59 1nur h LEU 139 Cb 0.91 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.87 1nur h LEU 139 CO 0.08 0.25 -0.60 0.50 -0.34 0.00 0.00 178.44 178.33 1nur h LYS 140 N 0.26 0.53 0.00 1.25 3.64 -1.24 -3.15 116.57 117.86 1nur h LYS 140 Ca 0.06 -0.36 -0.01 0.00 -1.27 0.00 0.00 60.65 59.07 1nur h LYS 140 Cb 0.11 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.98 1nur h LYS 140 CO -0.00 0.97 -0.07 1.79 -2.27 0.00 0.00 179.45 179.87 1nur h THR 141 N 0.39 0.71 -0.96 1.00 1.35 -1.05 -1.84 112.91 112.53 1nur h THR 141 Ca -0.00 -0.27 0.19 0.00 -0.55 0.00 0.00 66.41 65.77 1nur h THR 141 Cb 1.15 1.16 -0.09 0.00 -1.73 0.00 0.00 68.15 68.65 1nur h THR 141 CO 0.11 0.07 0.61 -0.26 -0.25 0.00 0.00 175.52 175.80 1nur h PHE 142 N 0.00 0.85 0.00 4.73 0.05 -1.49 0.17 116.94 121.26 1nur h PHE 142 Ca -0.00 0.03 0.00 0.00 3.82 0.00 0.00 57.97 61.82 1nur h PHE 142 Cb 0.16 -0.26 0.00 0.00 2.00 0.00 0.00 35.95 37.85 1nur h PHE 142 CO 0.00 0.23 0.00 1.04 -0.18 0.00 0.00 178.31 179.40 1nur n GLN 143 N -4.63 0.05 -2.42 1.51 6.02 -0.69 -4.71 117.38 112.51 1nur n GLN 143 Ca 0.21 0.27 -0.43 0.00 -0.01 0.00 0.00 57.00 57.04 1nur n GLN 143 Cb 0.59 -1.59 -0.02 0.00 1.02 0.00 0.00 30.24 30.24 1nur n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nur s THR 144 N -3.07 4.25 0.30 5.09 2.01 0.60 -4.99 115.64 119.83 1nur s THR 144 Ca 0.07 1.53 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 1nur s THR 144 Cb 0.10 -3.99 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 1nur s THR 144 CO 0.32 -0.10 1.40 -2.16 -0.69 0.00 0.00 174.62 173.40 1nur s PRO 145 N 3.14 4.27 0.00 4.92 0.04 -1.26 -2.74 135.00 143.36 1nur s PRO 145 Ca 0.56 2.32 0.00 0.00 0.04 0.00 0.00 61.00 63.92 1nur s PRO 145 Cb -0.23 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1nur s PRO 145 CO 0.17 -0.35 0.00 0.09 0.04 0.00 0.00 177.00 176.95 1nur n ASN 146 N 1.41 -3.76 -0.13 6.66 3.02 -1.26 -4.88 115.26 116.31 1nur n ASN 146 Ca 0.03 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.30 1nur n ASN 146 Cb 0.41 -1.33 -0.10 0.00 -0.61 0.00 0.00 39.78 38.14 1nur n ASN 146 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1nur n LEU 147 N 0.00 2.03 -4.34 3.41 7.94 -1.11 -5.00 117.00 119.93 1nur n LEU 147 Ca 0.00 0.31 -0.30 0.00 -1.11 0.00 0.00 56.01 54.91 1nur n LEU 147 Cb 0.14 -0.84 -0.15 0.00 0.53 0.00 0.00 43.42 43.09 1nur n LEU 147 CO 0.00 0.58 -0.57 0.26 -1.11 0.00 0.00 177.39 176.55 1nur s TRP 148 N -2.50 2.33 -0.02 1.96 0.52 -1.26 -5.10 118.94 114.87 1nur s TRP 148 Ca -0.38 -0.41 -0.27 0.00 0.02 0.00 0.00 56.10 55.07 1nur s TRP 148 Cb 0.14 -1.41 -0.04 0.00 -1.15 0.00 0.00 33.47 31.01 1nur s TRP 148 CO 0.51 0.10 0.84 0.15 0.02 0.00 0.00 176.95 178.57 1nur s LYS 149 N -1.14 4.51 0.39 4.98 1.02 -1.26 -4.92 119.74 123.32 1nur s LYS 149 Ca 0.12 1.16 0.13 0.00 0.02 0.00 0.00 55.97 57.39 1nur s LYS 149 Cb -0.10 -3.44 0.94 0.00 -0.52 0.00 0.00 37.83 34.71 1nur s LYS 149 CO 0.02 0.04 1.89 -0.44 -0.92 0.00 0.00 175.35 175.93 1nur h ASP 150 N 6.64 0.52 -0.24 2.83 3.32 -1.99 0.40 116.42 127.90 1nur h ASP 150 Ca -0.41 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 1nur h ASP 150 Cb 1.21 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.67 1nur h ASP 150 CO 0.75 0.26 0.13 0.00 -1.72 0.00 0.00 179.24 178.66 1nur h ALA 151 N 1.62 1.74 -0.03 3.45 0.00 -1.99 -1.04 119.26 123.00 1nur h ALA 151 Ca 0.41 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 55.05 1nur h ALA 151 Cb 0.81 -0.11 0.02 0.00 0.00 0.00 0.00 17.79 18.50 1nur h ALA 151 CO -0.16 0.22 -0.85 0.45 0.00 0.00 0.00 179.25 178.91 1nur h HIS 152 N 0.37 0.91 -0.51 0.00 3.86 -0.62 -2.32 115.15 116.84 1nur h HIS 152 Ca 0.10 -0.47 0.01 0.00 -1.16 0.00 0.00 60.37 58.84 1nur h HIS 152 Cb 0.03 -0.11 -0.03 0.00 1.06 0.00 0.00 27.41 28.36 1nur h HIS 152 CO 0.00 1.30 0.32 0.82 0.86 0.00 0.00 177.93 181.24 1nur h ILE 153 N 0.26 1.10 -0.13 2.45 2.04 -0.90 -0.97 117.51 121.36 1nur h ILE 153 Ca -0.10 -0.22 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1nur h ILE 153 Cb 1.51 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 37.98 1nur h ILE 153 CO 0.17 0.12 0.04 -0.61 0.00 0.00 0.00 178.15 177.87 1nur h GLN 154 N 0.65 0.21 -0.85 2.37 4.15 -1.24 -1.77 115.11 118.64 1nur h GLN 154 Ca 0.19 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.55 1nur h GLN 154 Cb -0.04 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.58 1nur h GLN 154 CO -0.06 0.35 0.46 1.49 -1.93 0.00 0.00 178.83 179.14 1nur h GLU 155 N 0.03 1.19 0.37 1.69 4.81 -1.28 0.10 114.58 121.49 1nur h GLU 155 Ca 0.04 -0.14 -0.02 0.00 -0.13 0.00 0.00 59.36 59.11 1nur h GLU 155 Cb 0.23 -0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.38 1nur h GLU 155 CO -0.00 0.88 -0.18 0.82 -0.73 0.00 0.00 179.01 179.80 1nur h ILE 156 N 1.19 0.64 0.00 2.32 2.04 -1.00 0.15 117.51 122.84 1nur h ILE 156 Ca 0.30 -0.02 -0.08 0.00 1.00 0.00 0.00 64.86 66.06 1nur h ILE 156 Cb 0.04 0.64 -0.01 0.00 -0.74 0.00 0.00 36.82 36.75 1nur h ILE 156 CO -0.05 0.00 -0.39 -0.37 0.00 0.00 0.00 178.15 177.34 1nur h VAL 157 N -0.51 0.82 0.01 1.67 -1.51 -1.22 0.18 116.25 115.69 1nur h VAL 157 Ca -0.05 -1.68 -0.24 0.00 -1.23 0.00 0.00 66.70 63.50 1nur h VAL 157 Cb 0.39 2.06 -0.03 0.00 -2.13 0.00 0.00 31.29 31.58 1nur h VAL 157 CO 0.08 0.39 -1.29 -0.08 -1.23 0.00 0.00 177.57 175.44 1nur h GLU 158 N 0.00 0.02 0.00 5.19 4.81 -0.69 -3.35 114.58 120.56 1nur h GLU 158 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1nur h GLU 158 Cb 1.03 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1nur h GLU 158 CO 0.05 1.02 -0.47 0.87 -0.73 0.00 0.00 179.01 179.75 1nur h LYS 159 N -0.92 0.00 0.00 1.92 1.79 -0.86 -3.44 116.57 115.06 1nur h LYS 159 Ca -0.35 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.12 1nur h LYS 159 Cb 1.35 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.00 1nur h LYS 159 CO -0.19 0.00 0.00 1.19 -1.08 0.00 0.00 179.45 179.37 1nur n PHE 160 N -2.52 0.00 0.00 -1.35 3.01 -1.07 -4.86 117.46 110.67 1nur n PHE 160 Ca 0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.49 1nur n PHE 160 Cb 0.49 0.05 0.00 0.00 -0.01 0.00 0.00 39.48 40.01 1nur n PHE 160 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nur n GLY 161 N 3.30 3.54 3.08 1.37 0.00 0.60 -4.45 105.19 112.63 1nur n GLY 161 Ca 0.00 -1.84 -0.24 0.00 0.00 0.00 0.00 46.02 43.94 1nur n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nur s LEU 162 N 0.00 1.86 -0.29 0.99 1.43 -0.08 -1.03 118.68 121.57 1nur s LEU 162 Ca 0.00 -0.29 0.02 0.00 -1.03 0.00 0.00 54.13 52.83 1nur s LEU 162 Cb 0.00 -0.82 0.07 0.00 0.03 0.00 0.00 46.19 45.47 1nur s LEU 162 CO 0.00 0.12 -0.05 -0.69 0.23 0.00 0.00 176.35 175.96 1nur s VAL 163 N 0.11 2.34 -0.18 -1.59 1.01 -0.21 0.17 120.40 122.05 1nur s VAL 163 Ca -0.04 -1.77 -0.09 0.00 0.00 0.00 0.00 61.98 60.09 1nur s VAL 163 Cb -0.11 -2.45 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1nur s VAL 163 CO 0.02 -0.18 0.11 0.00 0.00 0.00 0.00 175.10 175.05 1nur s VAL 165 N 0.08 4.95 0.76 0.00 1.01 -0.15 -0.88 120.40 126.17 1nur s VAL 165 Ca 0.08 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.93 1nur s VAL 165 Cb -0.11 -3.22 -0.00 0.00 0.00 0.00 0.00 36.38 33.05 1nur s VAL 165 CO -0.00 0.49 0.72 0.61 0.00 0.00 0.00 175.10 176.91 1nur n GLY 166 N 3.22 -1.10 2.99 4.51 0.00 -1.22 -1.85 105.19 111.74 1nur n GLY 166 Ca -0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 1nur n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nur s ARG 167 N -3.17 0.14 0.35 1.61 1.81 -1.26 -4.73 118.95 113.70 1nur s ARG 167 Ca 0.68 0.31 -0.29 0.00 -1.72 0.00 0.00 55.73 54.71 1nur s ARG 167 Cb -0.33 -0.05 -0.12 0.00 -0.45 0.00 0.00 34.95 34.01 1nur s ARG 167 CO 0.56 -0.10 1.45 0.28 -0.68 0.00 0.00 175.30 176.81 1nur n VAL 168 N 3.63 1.77 -0.23 3.52 0.31 -1.26 -1.89 118.33 124.18 1nur n VAL 168 Ca -0.20 -0.44 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 1nur n VAL 168 Cb 0.55 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 1nur n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nur n SER 169 N 0.93 0.00 -4.39 4.52 7.64 -1.26 -5.05 113.62 116.01 1nur n SER 169 Ca 0.04 0.00 -0.30 0.00 1.01 0.00 0.00 58.87 59.62 1nur n SER 169 Cb 0.37 0.00 -0.14 0.00 -1.01 0.00 0.00 64.21 63.43 1nur n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nur s HIS 170 N -2.65 2.41 -0.65 1.43 4.02 -0.79 -5.08 115.29 113.99 1nur s HIS 170 Ca 0.00 -0.35 0.05 0.00 1.02 0.00 0.00 55.06 55.78 1nur s HIS 170 Cb 0.00 -1.42 0.18 0.00 -1.02 0.00 0.00 32.58 30.32 1nur s HIS 170 CO 0.00 0.17 0.51 -3.47 1.02 0.00 0.00 174.74 172.97 1nur n ASP 171 N 1.69 2.52 -0.29 1.40 2.03 -1.26 -4.78 116.55 117.86 1nur n ASP 171 Ca -0.17 -3.11 0.12 0.00 0.52 0.00 0.00 54.79 52.16 1nur n ASP 171 Cb 0.52 -0.71 0.29 0.00 -0.72 0.00 0.00 41.12 40.49 1nur n ASP 171 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nur h PRO 172 N 5.21 0.28 -0.88 -0.67 0.11 -1.95 0.30 132.00 134.40 1nur h PRO 172 Ca 0.17 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 66.29 1nur h PRO 172 Cb 0.77 -0.06 -0.05 0.00 0.11 0.00 0.00 31.00 31.77 1nur h PRO 172 CO 0.67 0.18 0.57 0.87 -0.21 0.00 0.00 178.00 180.09 1nur h LYS 173 N 0.29 1.12 -0.47 1.05 1.57 -1.99 -0.23 116.57 117.90 1nur h LYS 173 Ca 0.54 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 59.13 1nur h LYS 173 Cb 1.05 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.09 1nur h LYS 173 CO -0.59 0.74 -0.17 0.78 -0.57 0.00 0.00 179.45 179.64 1nur h GLY 174 N 1.15 1.00 0.96 3.86 0.00 -1.40 -1.56 103.07 107.08 1nur h GLY 174 Ca 0.33 -0.84 0.01 0.00 0.00 0.00 0.00 47.33 46.83 1nur h GLY 174 CO -0.09 0.77 0.20 -0.97 0.00 0.00 0.00 176.54 176.45 1nur h TYR 175 N 0.81 0.38 -0.13 5.60 0.99 -0.66 -1.60 116.97 122.35 1nur h TYR 175 Ca 0.12 0.01 -0.00 0.00 2.00 0.00 0.00 58.73 60.86 1nur h TYR 175 Cb 0.72 -0.13 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 1nur h TYR 175 CO 0.04 0.23 0.08 0.82 -0.00 0.00 0.00 178.16 179.34 1nur h ILE 176 N 0.41 1.07 -0.35 -2.88 2.04 -0.91 -2.74 117.51 114.16 1nur h ILE 176 Ca 0.12 -0.18 -0.05 0.00 1.00 0.00 0.00 64.86 65.75 1nur h ILE 176 Cb -0.03 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1nur h ILE 176 CO -0.04 0.06 -0.01 0.00 0.00 0.00 0.00 178.15 178.17 1nur h ALA 177 N 1.00 1.34 -0.00 1.87 0.00 -1.11 -2.76 119.26 119.60 1nur h ALA 177 Ca 0.05 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1nur h ALA 177 Cb 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1nur h ALA 177 CO -0.01 0.45 -0.09 0.39 0.00 0.00 0.00 179.25 179.99 1nur n GLU 178 N -4.27 0.06 -3.70 0.00 1.02 -0.62 -4.68 120.64 108.44 1nur n GLU 178 Ca 0.02 -0.01 -0.38 0.00 -0.02 0.00 0.00 57.16 56.76 1nur n GLU 178 Cb 0.25 -1.50 -0.12 0.00 -0.02 0.00 0.00 31.44 30.05 1nur n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nur s SER 179 N -2.95 5.37 0.29 1.62 0.15 -1.04 -4.98 113.70 112.16 1nur s SER 179 Ca 0.15 -0.70 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1nur s SER 179 Cb 0.19 -1.94 0.65 0.00 -1.71 0.00 0.00 66.02 63.20 1nur s SER 179 CO 0.55 -0.22 1.80 1.55 1.20 0.00 0.00 173.24 178.12 1nur h PRO 180 N 8.30 0.81 -0.24 5.44 0.13 -1.83 0.12 132.00 144.72 1nur h PRO 180 Ca -0.30 -0.05 -0.10 0.00 -0.87 0.00 0.00 66.00 64.68 1nur h PRO 180 Cb 1.13 -0.18 -0.00 0.00 0.13 0.00 0.00 31.00 32.07 1nur h PRO 180 CO 0.62 0.54 -0.22 0.82 -0.23 0.00 0.00 178.00 179.52 1nur h ILE 181 N 0.84 1.31 -0.40 -3.56 2.04 -1.93 -2.10 117.51 113.71 1nur h ILE 181 Ca 0.54 -1.38 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1nur h ILE 181 Cb 0.72 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.45 1nur h ILE 181 CO -0.34 0.43 -0.03 -0.07 0.00 0.00 0.00 178.15 178.15 1nur h LEU 182 N 0.29 0.72 -0.99 1.44 3.38 -1.71 -2.64 115.31 115.80 1nur h LEU 182 Ca 0.04 -0.32 0.01 0.00 0.09 0.00 0.00 57.88 57.69 1nur h LEU 182 Cb 0.78 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.28 1nur h LEU 182 CO 0.06 0.87 0.64 -0.09 0.09 0.00 0.00 178.44 180.01 1nur h ARG 183 N 0.55 1.31 0.00 1.13 2.43 -0.65 0.35 114.38 119.50 1nur h ARG 183 Ca 0.11 -0.09 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1nur h ARG 183 Cb 0.52 -0.29 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1nur h ARG 183 CO 0.03 0.87 -0.45 1.98 -1.51 0.00 0.00 179.97 180.89 1nur h MET 184 N 1.34 0.00 -0.24 0.20 4.05 -1.24 -3.10 114.93 115.94 1nur h MET 184 Ca 0.36 0.00 -0.08 0.00 -0.28 0.00 0.00 59.70 59.70 1nur h MET 184 Cb -0.14 0.00 -0.05 0.00 -0.80 0.00 0.00 31.60 30.62 1nur h MET 184 CO -0.08 0.45 -0.07 0.72 0.23 0.00 0.00 176.91 178.16 1nur n HIS 185 N -3.87 0.79 0.34 1.39 8.25 -0.83 -4.76 115.22 116.52 1nur n HIS 185 Ca -0.01 -1.26 0.22 0.00 -0.26 0.00 0.00 57.72 56.41 1nur n HIS 185 Cb 0.49 -0.36 1.19 0.00 1.12 0.00 0.00 29.99 32.42 1nur n HIS 185 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nur h GLN 186 N 1.12 0.00 0.00 -0.41 3.07 -0.24 0.23 115.11 118.89 1nur h GLN 186 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.84 1nur h GLN 186 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.00 1nur h GLN 186 CO 0.25 0.00 0.00 1.12 0.09 0.00 0.00 178.83 180.29 1nur h HIS 187 N 0.00 0.00 -0.62 0.06 2.07 -1.86 -1.78 115.15 113.02 1nur h HIS 187 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1nur h HIS 187 Cb 0.07 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.05 1nur h HIS 187 CO 0.00 0.00 0.00 0.09 -3.07 0.00 0.00 177.93 174.95 1nur n ASN 188 N -2.69 3.54 -4.12 3.10 5.03 0.07 -4.79 115.26 115.40 1nur n ASN 188 Ca 0.01 -1.99 -0.33 0.00 0.87 0.00 0.00 54.58 53.13 1nur n ASN 188 Cb 0.26 -0.41 -0.14 0.00 -1.02 0.00 0.00 39.78 38.46 1nur n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nur s ILE 189 N -1.17 2.59 -0.32 2.41 1.01 -0.67 -0.90 121.20 124.15 1nur s ILE 189 Ca 0.44 -1.52 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 1nur s ILE 189 Cb 0.23 -2.51 -0.02 0.00 0.01 0.00 0.00 42.46 40.16 1nur s ILE 189 CO 0.31 -0.08 0.21 -1.00 0.00 0.00 0.00 174.94 174.38 1nur s HIS 190 N 1.18 3.22 -0.42 3.97 3.76 0.13 -4.98 115.29 122.14 1nur s HIS 190 Ca -0.07 -0.20 -0.21 0.00 -0.15 0.00 0.00 55.06 54.43 1nur s HIS 190 Cb -0.20 -2.43 0.02 0.00 1.11 0.00 0.00 32.58 31.08 1nur s HIS 190 CO -0.03 -0.33 0.64 -0.51 -0.85 0.00 0.00 174.74 173.66 1nur s LEU 191 N 1.71 4.44 -0.34 0.89 1.43 -1.26 -0.91 118.68 124.64 1nur s LEU 191 Ca 0.06 -0.24 -0.25 0.00 -1.03 0.00 0.00 54.13 52.67 1nur s LEU 191 Cb -0.17 -2.74 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1nur s LEU 191 CO 0.10 -0.74 0.89 0.00 0.23 0.00 0.00 176.35 176.83 1nur s ALA 192 N 2.80 3.46 -0.66 4.21 0.00 -0.06 -4.98 121.76 126.53 1nur s ALA 192 Ca 0.23 -0.41 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 1nur s ALA 192 Cb -0.14 -3.46 0.16 0.00 0.00 0.00 0.00 23.12 19.68 1nur s ALA 192 CO 0.18 -1.44 0.61 -1.59 0.00 0.00 0.00 175.76 173.52 1nur s LYS 193 N 3.29 3.23 -0.29 0.00 -2.85 -1.26 -3.45 119.74 118.42 1nur s LYS 193 Ca 0.37 -1.99 -0.24 0.00 -1.00 0.00 0.00 55.97 53.11 1nur s LYS 193 Cb -0.13 -4.35 0.15 0.00 -2.06 0.00 0.00 37.83 31.43 1nur s LYS 193 CO 0.16 -1.32 1.14 -1.21 0.10 0.00 0.00 175.35 174.22 1nur s GLU 194 N 1.07 0.36 0.40 1.78 0.41 -1.26 -5.10 118.70 116.36 1nur s GLU 194 Ca 0.09 0.45 -0.23 0.00 -0.41 0.00 0.00 54.97 54.87 1nur s GLU 194 Cb -0.22 0.16 -0.12 0.00 -1.78 0.00 0.00 34.13 32.16 1nur s GLU 194 CO -0.02 -0.05 0.67 -2.30 -0.49 0.00 0.00 175.26 173.08 1nur n PRO 195 N 2.27 0.75 -3.38 0.39 -0.02 -1.26 -4.74 135.00 129.00 1nur n PRO 195 Ca -0.13 0.27 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1nur n PRO 195 Cb 0.56 -1.61 -0.09 0.00 -0.02 0.00 0.00 33.50 32.34 1nur n PRO 195 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nur s VAL 196 N -1.37 -0.49 0.00 -1.45 1.01 -1.26 -5.00 120.40 111.83 1nur s VAL 196 Ca 0.63 -0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1nur s VAL 196 Cb -0.62 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 34.88 1nur s VAL 196 CO 0.58 -0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.39 1nur n GLN 197 N 5.34 0.00 -0.05 2.72 6.02 -1.26 -4.69 117.38 125.46 1nur n GLN 197 Ca -0.03 0.00 0.01 0.00 -0.01 0.00 0.00 57.00 56.97 1nur n GLN 197 Cb 0.49 0.00 0.03 0.00 1.02 0.00 0.00 30.24 31.78 1nur n GLN 197 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 1nur n ASN 198 N 0.00 0.83 -0.05 1.08 5.15 -1.26 -3.45 115.26 117.55 1nur n ASN 198 Ca 0.00 -2.04 -0.13 0.00 -0.60 0.00 0.00 54.58 51.81 1nur n ASN 198 Cb 0.00 -0.27 -0.14 0.00 -0.53 0.00 0.00 39.78 38.84 1nur n ASN 198 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 1nur n GLU 199 N -0.15 0.68 -3.21 1.20 1.02 -1.26 -4.86 120.64 114.06 1nur n GLU 199 Ca 0.02 0.19 -0.40 0.00 -0.02 0.00 0.00 57.16 56.95 1nur n GLU 199 Cb 0.18 -1.67 -0.07 0.00 -0.02 0.00 0.00 31.44 29.87 1nur n GLU 199 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1nur s ILE 200 N -2.55 5.06 0.07 -3.67 -4.36 -1.22 -5.05 121.20 109.48 1nur s ILE 200 Ca -0.14 0.96 0.05 0.00 -0.26 0.00 0.00 60.65 61.26 1nur s ILE 200 Cb 0.07 -3.86 -0.04 0.00 1.25 0.00 0.00 42.46 39.89 1nur s ILE 200 CO 0.78 0.10 -0.04 -0.94 0.24 0.00 0.00 174.94 175.08 1nur s SER 201 N 1.41 4.79 0.52 4.36 1.04 -1.26 -4.95 113.70 119.61 1nur s SER 201 Ca 0.23 -0.21 0.19 0.00 0.48 0.00 0.00 55.95 56.64 1nur s SER 201 Cb -0.16 -1.09 1.30 0.00 0.10 0.00 0.00 66.02 66.18 1nur s SER 201 CO 0.09 0.21 2.11 0.00 0.98 0.00 0.00 173.24 176.62 1nur h ALA 202 N 3.77 2.14 -0.52 5.32 0.00 -1.93 -1.44 119.26 126.60 1nur h ALA 202 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nur h ALA 202 Cb 1.17 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1nur h ALA 202 CO 0.56 -0.19 0.33 1.15 0.00 0.00 0.00 179.25 181.10 1nur h THR 203 N 0.00 1.15 -0.27 0.00 2.02 -1.94 -0.74 112.91 113.13 1nur h THR 203 Ca 0.07 -0.30 -0.01 0.00 0.77 0.00 0.00 66.41 66.94 1nur h THR 203 Cb 0.29 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 1nur h THR 203 CO -0.00 0.15 0.12 0.22 0.37 0.00 0.00 175.52 176.38 1nur h TYR 204 N 0.70 0.40 -0.43 3.16 3.20 -1.69 -2.27 116.97 120.04 1nur h TYR 204 Ca 0.19 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.11 1nur h TYR 204 Cb -0.04 -0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.03 1nur h TYR 204 CO -0.03 0.39 -0.02 0.82 -1.64 0.00 0.00 178.16 177.68 1nur h ILE 205 N 0.30 0.66 -0.63 1.81 1.08 -0.93 0.26 117.51 120.05 1nur h ILE 205 Ca 0.09 -0.03 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 1nur h ILE 205 Cb 0.15 0.56 -0.03 0.00 -3.07 0.00 0.00 36.82 34.42 1nur h ILE 205 CO -0.01 0.02 0.37 0.03 -0.69 0.00 0.00 178.15 177.87 1nur h ARG 206 N 0.09 0.87 -0.37 2.37 3.08 -1.01 -1.17 114.38 118.23 1nur h ARG 206 Ca 0.21 -0.09 -0.03 0.00 0.07 0.00 0.00 59.98 60.15 1nur h ARG 206 Cb 0.31 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 1nur h ARG 206 CO -0.37 0.63 0.13 -0.09 -1.07 0.00 0.00 179.97 179.20 1nur h ARG 207 N 0.86 0.57 -0.01 0.04 2.43 -0.77 -0.46 114.38 117.04 1nur h ARG 207 Ca 0.23 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1nur h ARG 207 Cb -0.00 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 1nur h ARG 207 CO -0.04 0.57 0.01 0.00 -1.51 0.00 0.00 179.97 179.00 1nur h ALA 208 N 0.97 0.01 -0.89 2.80 0.00 -0.83 -1.85 119.26 119.47 1nur h ALA 208 Ca 0.12 -0.00 0.09 0.00 0.00 0.00 0.00 54.91 55.12 1nur h ALA 208 Cb 0.23 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1nur h ALA 208 CO -0.01 -0.49 0.54 -0.07 0.00 0.00 0.00 179.25 179.22 1nur h LEU 209 N 0.01 0.80 -1.68 0.00 3.38 -1.02 -0.84 115.31 115.96 1nur h LEU 209 Ca 0.00 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.98 1nur h LEU 209 Cb 0.00 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1nur h LEU 209 CO -0.00 0.47 -0.13 1.23 0.09 0.00 0.00 178.44 180.10 1nur h GLY 210 N 0.91 0.04 -2.28 0.83 0.00 -0.56 -1.63 103.07 100.39 1nur h GLY 210 Ca 0.42 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.73 1nur h GLY 210 CO -0.23 0.02 0.00 -1.06 0.00 0.00 0.00 176.54 175.27 1nur n GLN 211 N -4.37 2.82 -1.09 4.80 6.02 -0.52 -4.38 117.38 120.68 1nur n GLN 211 Ca -0.02 -2.03 -0.03 0.00 -0.01 0.00 0.00 57.00 54.91 1nur n GLN 211 Cb 0.21 -1.66 -0.01 0.00 1.02 0.00 0.00 30.24 29.80 1nur n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nur n GLY 212 N 0.99 0.55 3.88 1.08 0.00 -0.61 -5.01 105.19 106.07 1nur n GLY 212 Ca 0.18 -0.22 -0.29 0.00 0.00 0.00 0.00 46.02 45.69 1nur n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nur s GLN 213 N -1.47 3.67 0.38 1.61 -0.21 -0.44 -5.00 119.66 118.21 1nur s GLN 213 Ca 0.00 0.45 -0.24 0.00 0.02 0.00 0.00 55.36 55.59 1nur s GLN 213 Cb 0.00 -2.31 -0.09 0.00 1.00 0.00 0.00 33.01 31.61 1nur s GLN 213 CO 0.00 -0.21 1.02 0.45 -2.12 0.00 0.00 175.29 174.43 1nur s SER 214 N -3.69 6.91 -0.03 5.90 0.15 -1.26 -4.21 113.70 117.47 1nur s SER 214 Ca 0.51 1.97 0.04 0.00 0.70 0.00 0.00 55.95 59.17 1nur s SER 214 Cb -0.10 -2.58 0.06 0.00 -1.71 0.00 0.00 66.02 61.69 1nur s SER 214 CO 0.40 -0.38 0.90 1.33 1.20 0.00 0.00 173.24 176.70 1nur n VAL 215 N 0.04 0.77 -1.77 4.45 0.24 -1.26 -4.93 118.33 115.87 1nur n VAL 215 Ca 0.04 -0.85 -0.41 0.00 -2.04 0.00 0.00 64.34 61.08 1nur n VAL 215 Cb 0.50 0.47 -0.00 0.00 -1.47 0.00 0.00 33.84 33.33 1nur n VAL 215 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1nur n LYS 216 N -0.49 2.64 -0.95 7.34 4.81 -1.26 -1.41 118.16 128.84 1nur n LYS 216 Ca 0.04 0.93 0.00 0.00 -0.87 0.00 0.00 58.31 58.40 1nur n LYS 216 Cb 0.48 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.88 1nur n LYS 216 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1nur n TYR 217 N 0.42 0.00 -0.05 5.64 4.02 -1.26 -4.79 117.16 121.14 1nur n TYR 217 Ca 0.01 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.85 1nur n TYR 217 Cb 0.39 -0.35 -0.07 0.00 -0.02 0.00 0.00 39.34 39.28 1nur n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nur n LEU 218 N 0.00 0.61 -4.12 7.72 4.77 -0.50 -5.00 117.00 120.49 1nur n LEU 218 Ca 0.00 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.85 1nur n LEU 218 Cb 0.05 0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.14 1nur n LEU 218 CO 0.00 0.34 -0.39 0.27 -1.33 0.00 0.00 177.39 176.27 1nur s ILE 219 N -2.24 0.62 0.33 -0.08 -4.36 -1.14 -1.25 121.20 113.07 1nur s ILE 219 Ca -0.07 -1.53 -0.28 0.00 -0.26 0.00 0.00 60.65 58.51 1nur s ILE 219 Cb 0.03 -1.17 -0.13 0.00 1.25 0.00 0.00 42.46 42.44 1nur s ILE 219 CO 0.38 -0.64 1.13 -2.65 0.24 0.00 0.00 174.94 173.40 1nur n PRO 220 N 0.68 1.70 -0.35 0.37 -0.02 -1.26 -4.76 135.00 131.36 1nur n PRO 220 Ca -0.17 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.03 1nur n PRO 220 Cb 0.58 -2.08 0.32 0.00 -0.02 0.00 0.00 33.50 32.30 1nur n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nur h ASP 221 N 2.19 0.79 0.44 2.55 3.32 -1.99 -0.34 116.42 123.38 1nur h ASP 221 Ca -0.43 0.09 -0.06 0.00 0.02 0.00 0.00 57.03 56.65 1nur h ASP 221 Cb 1.31 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 1nur h ASP 221 CO 0.61 0.30 -0.26 0.00 -1.72 0.00 0.00 179.24 178.17 1nur h ALA 222 N 1.63 1.32 0.02 3.45 0.00 -1.89 -1.34 119.26 122.44 1nur h ALA 222 Ca 0.56 -0.24 -0.25 0.00 0.00 0.00 0.00 54.91 54.98 1nur h ALA 222 Cb 0.85 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1nur h ALA 222 CO -0.35 0.33 -1.02 0.28 0.00 0.00 0.00 179.25 178.49 1nur h VAL 223 N 0.00 1.35 -0.56 0.00 2.07 -1.38 -2.77 116.25 114.97 1nur h VAL 223 Ca -0.00 -2.40 -0.01 0.00 0.82 0.00 0.00 66.70 65.10 1nur h VAL 223 Cb 0.55 2.45 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1nur h VAL 223 CO 0.03 0.73 0.30 0.40 0.02 0.00 0.00 177.57 179.05 1nur h ILE 224 N 0.29 1.19 -0.50 4.57 2.04 -0.83 -0.54 117.51 123.72 1nur h ILE 224 Ca -0.11 -0.50 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1nur h ILE 224 Cb 1.67 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.22 1nur h ILE 224 CO 0.19 0.21 0.30 0.74 0.00 0.00 0.00 178.15 179.59 1nur h THR 225 N 0.75 1.06 -0.56 -0.27 2.02 -1.27 -0.76 112.91 113.88 1nur h THR 225 Ca 0.19 -0.21 -0.06 0.00 0.77 0.00 0.00 66.41 67.11 1nur h THR 225 Cb 0.06 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1nur h THR 225 CO -0.03 0.11 0.13 0.22 0.37 0.00 0.00 175.52 176.32 1nur h TYR 226 N 0.61 0.96 -0.52 3.16 3.20 -1.18 0.53 116.97 123.72 1nur h TYR 226 Ca 0.20 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.97 1nur h TYR 226 Cb 0.00 -0.27 -0.03 0.00 1.54 0.00 0.00 36.73 37.97 1nur h TYR 226 CO -0.06 0.83 0.32 0.82 -1.64 0.00 0.00 178.16 178.43 1nur h ILE 227 N 0.81 1.08 0.05 1.81 2.04 -0.70 -1.21 117.51 121.38 1nur h ILE 227 Ca 0.18 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1nur h ILE 227 Cb 0.36 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.81 1nur h ILE 227 CO 0.00 0.12 -0.02 0.50 0.00 0.00 0.00 178.15 178.75 1nur h LYS 228 N 0.65 -0.06 -0.21 2.37 3.64 -0.89 -1.27 116.57 120.80 1nur h LYS 228 Ca 0.21 0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.65 1nur h LYS 228 Cb -0.01 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1nur h LYS 228 CO -0.08 0.23 0.17 -0.44 -2.27 0.00 0.00 179.45 177.06 1nur h ASP 229 N -0.36 0.00 -0.29 4.20 3.32 -0.67 -2.58 116.42 120.05 1nur h ASP 229 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1nur h ASP 229 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1nur h ASP 229 CO 0.01 0.00 0.00 1.41 -1.72 0.00 0.00 179.24 178.94 1nur n HIS 230 N -4.28 0.68 -4.03 4.55 8.25 -0.48 -4.99 115.22 114.92 1nur n HIS 230 Ca 0.02 -0.70 -0.30 0.00 -0.26 0.00 0.00 57.72 56.48 1nur n HIS 230 Cb 0.31 -0.17 -0.01 0.00 1.12 0.00 0.00 29.99 31.23 1nur n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nur n GLY 231 N -0.07 -0.37 3.89 -1.41 0.00 -0.65 -4.96 105.19 101.63 1nur n GLY 231 Ca 0.16 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 46.05 1nur n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nur s LEU 232 N -7.13 3.48 -1.82 0.99 1.43 -0.57 -4.33 118.68 110.72 1nur s LEU 232 Ca 0.42 1.11 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1nur s LEU 232 Cb -0.23 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 41.89 1nur s LEU 232 CO 0.89 -0.69 0.00 -1.22 0.23 0.00 0.00 176.35 175.56 1nur n TYR 233 N -2.44 -0.90 -2.64 0.29 4.02 -1.26 -4.86 117.16 109.37 1nur n TYR 233 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 1nur n TYR 233 Cb 0.55 -3.93 -0.05 0.00 -0.02 0.00 0.00 39.34 35.88 1nur n TYR 233 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1nur s THR 234 N -3.02 4.34 -2.42 -0.72 2.01 -1.26 -3.31 115.64 111.26 1nur s THR 234 Ca 0.00 1.35 0.29 0.00 0.31 0.00 0.00 61.69 63.63 1nur s THR 234 Cb 0.00 -3.61 0.61 0.00 0.01 0.00 0.00 72.50 69.51 1nur s THR 234 CO 0.00 -0.42 1.82 2.29 -0.69 0.00 0.00 174.62 177.62