#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nup s ARG 4 N 0.00 3.99 -0.12 4.33 0.52 -1.26 -4.94 118.95 121.47 1nup s ARG 4 Ca 0.00 0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 55.54 1nup s ARG 4 Cb 0.00 -2.59 -0.02 0.00 0.52 0.00 0.00 34.95 32.86 1nup s ARG 4 CO 0.00 0.26 0.84 0.42 0.02 0.00 0.00 175.30 176.84 1nup s ILE 5 N -1.83 4.91 0.25 1.52 1.01 0.33 -4.77 121.20 122.61 1nup s ILE 5 Ca 0.49 1.68 -0.30 0.00 0.00 0.00 0.00 60.65 62.53 1nup s ILE 5 Cb -0.12 -4.15 -0.09 0.00 0.01 0.00 0.00 42.46 38.11 1nup s ILE 5 CO 0.19 0.09 1.16 -2.84 0.00 0.00 0.00 174.94 173.54 1nup s PRO 6 N 1.72 4.55 -0.00 2.79 0.02 -1.26 -0.98 135.00 141.85 1nup s PRO 6 Ca 0.41 1.87 0.03 0.00 0.02 0.00 0.00 61.00 63.33 1nup s PRO 6 Cb -0.17 -3.20 -0.01 0.00 0.02 0.00 0.00 34.50 31.14 1nup s PRO 6 CO 0.16 0.05 -0.10 0.08 -0.33 0.00 0.00 177.00 176.86 1nup s VAL 7 N -0.71 0.77 -0.09 3.83 1.01 -0.09 -0.37 120.40 124.76 1nup s VAL 7 Ca 0.48 -0.45 0.03 0.00 0.00 0.00 0.00 61.98 62.04 1nup s VAL 7 Cb -0.33 -0.65 -0.01 0.00 0.00 0.00 0.00 36.38 35.38 1nup s VAL 7 CO 0.40 0.19 -0.19 -0.69 0.00 0.00 0.00 175.10 174.82 1nup s VAL 8 N -0.28 2.60 -0.17 2.92 1.01 -0.22 -0.79 120.40 125.47 1nup s VAL 8 Ca 0.03 -0.85 -0.07 0.00 0.00 0.00 0.00 61.98 61.09 1nup s VAL 8 Cb -0.04 -2.02 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 1nup s VAL 8 CO -0.00 0.56 0.07 -0.76 0.00 0.00 0.00 175.10 174.97 1nup s LEU 9 N -0.03 3.89 -0.13 3.92 1.43 -0.34 -1.37 118.68 126.06 1nup s LEU 9 Ca -0.05 0.13 0.02 0.00 -1.03 0.00 0.00 54.13 53.20 1nup s LEU 9 Cb -0.14 -1.98 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 1nup s LEU 9 CO 0.04 0.20 -0.20 -0.22 0.23 0.00 0.00 176.35 176.41 1nup s LEU 10 N 0.19 2.29 -0.18 1.79 2.96 -0.01 -0.10 118.68 125.63 1nup s LEU 10 Ca 0.05 -0.51 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1nup s LEU 10 Cb -0.12 -1.49 0.00 0.00 0.50 0.00 0.00 46.19 45.08 1nup s LEU 10 CO 0.00 0.13 -0.13 0.00 -1.32 0.00 0.00 176.35 175.03 1nup s ALA 11 N 0.54 2.54 -0.14 5.97 0.00 0.06 0.38 121.76 131.12 1nup s ALA 11 Ca -0.12 -1.12 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 1nup s ALA 11 Cb -0.17 -1.34 -0.03 0.00 0.00 0.00 0.00 23.12 21.59 1nup s ALA 11 CO 0.04 -0.21 -0.04 0.00 0.00 0.00 0.00 175.76 175.56 1nup n GLY 13 N 3.22 -1.16 0.15 0.00 0.00 -1.20 -5.01 105.19 101.18 1nup n GLY 13 Ca -0.18 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1nup n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nup h SER 14 N 0.00 0.42 -6.27 1.61 0.02 -1.94 -0.89 113.55 106.49 1nup h SER 14 Ca 0.00 -0.32 -0.41 0.00 -0.84 0.00 0.00 61.79 60.22 1nup h SER 14 Cb 0.00 -0.11 0.06 0.00 0.14 0.00 0.00 62.40 62.48 1nup h SER 14 CO 0.00 0.64 -0.86 0.49 -1.14 0.00 0.00 176.83 175.95 1nup n PHE 15 N -4.64 -2.01 -3.14 3.45 3.01 -1.26 -4.40 117.46 108.48 1nup n PHE 15 Ca -0.04 0.55 -0.24 0.00 1.01 0.00 0.00 57.45 58.73 1nup n PHE 15 Cb 0.25 -3.35 -0.05 0.00 -0.01 0.00 0.00 39.48 36.32 1nup n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nup n ASN 16 N -2.51 2.82 -4.92 4.37 4.05 -1.26 -3.47 115.26 114.34 1nup n ASN 16 Ca -0.12 -3.33 -0.20 0.00 0.45 0.00 0.00 54.58 51.38 1nup n ASN 16 Cb 0.59 -0.61 0.06 0.00 1.23 0.00 0.00 39.78 41.05 1nup n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nup s PRO 17 N -2.69 2.27 0.40 1.20 0.04 -1.26 -4.83 135.00 130.13 1nup s PRO 17 Ca 0.43 -1.25 -0.26 0.00 0.04 0.00 0.00 61.00 59.95 1nup s PRO 17 Cb 0.25 -2.55 -0.09 0.00 0.04 0.00 0.00 34.50 32.16 1nup s PRO 17 CO -0.09 -0.89 1.32 -1.50 0.04 0.00 0.00 177.00 175.88 1nup s ILE 18 N -2.76 2.56 0.41 0.56 2.07 -1.23 -4.92 121.20 117.89 1nup s ILE 18 Ca 0.61 0.51 0.06 0.00 -1.41 0.00 0.00 60.65 60.42 1nup s ILE 18 Cb -0.07 -3.31 -0.07 0.00 0.13 0.00 0.00 42.46 39.14 1nup s ILE 18 CO 0.39 0.08 0.02 0.42 -1.91 0.00 0.00 174.94 173.95 1nup s THR 19 N -1.24 1.73 0.43 4.00 -4.23 -1.26 -4.71 115.64 110.36 1nup s THR 19 Ca 0.56 -2.00 0.20 0.00 -1.18 0.00 0.00 61.69 59.27 1nup s THR 19 Cb -0.39 -2.85 0.22 0.00 1.34 0.00 0.00 72.50 70.82 1nup s THR 19 CO 0.51 0.00 2.01 0.78 -0.54 0.00 0.00 174.62 177.38 1nup h ASN 20 N 1.78 0.00 -0.29 3.99 2.35 -1.53 -2.36 115.58 119.51 1nup h ASN 20 Ca -0.43 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.14 1nup h ASN 20 Cb 1.25 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.62 1nup h ASN 20 CO 0.78 0.17 -0.49 -0.03 -1.65 0.00 0.00 177.43 176.21 1nup h MET 21 N 0.00 0.87 -0.83 0.81 4.05 -1.91 0.70 114.93 118.62 1nup h MET 21 Ca -0.00 -0.52 -0.02 0.00 -0.28 0.00 0.00 59.70 58.88 1nup h MET 21 Cb 0.36 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 31.16 1nup h MET 21 CO 0.02 1.16 0.43 0.45 0.23 0.00 0.00 176.91 179.19 1nup h HIS 22 N 0.69 1.17 -0.28 1.39 3.86 -1.83 -1.78 115.15 118.36 1nup h HIS 22 Ca 0.03 -0.04 -0.18 0.00 -1.16 0.00 0.00 60.37 59.02 1nup h HIS 22 Cb 1.08 -0.37 -0.00 0.00 1.06 0.00 0.00 27.41 29.18 1nup h HIS 22 CO 0.07 0.83 -0.53 -0.07 0.86 0.00 0.00 177.93 179.08 1nup h LEU 23 N 1.18 0.92 -1.44 2.43 3.38 -1.28 -3.10 115.31 117.40 1nup h LEU 23 Ca 0.29 -0.49 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 1nup h LEU 23 Cb 0.08 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1nup h LEU 23 CO -0.04 1.27 0.30 -0.09 0.09 0.00 0.00 178.44 179.97 1nup h ARG 24 N 0.64 0.68 -0.94 1.13 9.65 -0.50 -2.25 114.38 122.79 1nup h ARG 24 Ca 0.02 -0.06 0.07 0.00 -1.10 0.00 0.00 59.98 58.91 1nup h ARG 24 Cb 1.13 -0.14 -0.07 0.00 -1.39 0.00 0.00 29.97 29.50 1nup h ARG 24 CO 0.12 0.48 0.59 0.52 2.80 0.00 0.00 179.97 184.48 1nup h MET 25 N 0.69 1.04 -0.58 0.20 2.86 -1.25 -0.09 114.93 117.79 1nup h MET 25 Ca 0.18 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.74 1nup h MET 25 Cb -0.02 -0.23 -0.03 0.00 0.06 0.00 0.00 31.60 31.38 1nup h MET 25 CO -0.03 0.69 0.30 0.74 1.06 0.00 0.00 176.91 179.66 1nup h PHE 26 N 1.07 0.83 -0.23 -0.22 -1.00 -1.49 -0.79 116.94 115.10 1nup h PHE 26 Ca 0.41 -0.03 -0.03 0.00 2.81 0.00 0.00 57.97 61.13 1nup h PHE 26 Cb 0.19 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.48 1nup h PHE 26 CO -0.02 0.62 0.05 0.93 -1.61 0.00 0.00 178.31 178.28 1nup h GLU 27 N 0.79 0.38 -0.66 1.51 4.39 -1.34 -0.65 114.58 119.01 1nup h GLU 27 Ca 0.20 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.79 1nup h GLU 27 Cb 0.09 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 1nup h GLU 27 CO -0.03 0.50 0.36 0.28 -1.16 0.00 0.00 179.01 178.97 1nup h VAL 28 N 0.19 1.21 -0.57 3.13 2.07 -0.93 -1.71 116.25 119.64 1nup h VAL 28 Ca 0.07 -0.52 -0.05 0.00 0.82 0.00 0.00 66.70 67.03 1nup h VAL 28 Cb 0.30 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1nup h VAL 28 CO 0.00 0.23 0.18 0.00 0.02 0.00 0.00 177.57 177.99 1nup h ALA 29 N 1.18 0.74 -0.24 1.67 0.00 -1.04 -1.48 119.26 120.09 1nup h ALA 29 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1nup h ALA 29 Cb 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nup h ALA 29 CO -0.04 0.41 0.09 -0.09 0.00 0.00 0.00 179.25 179.62 1nup h ARG 30 N 0.80 0.37 -0.77 0.00 2.43 -0.87 -1.53 114.38 114.81 1nup h ARG 30 Ca 0.18 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1nup h ARG 30 Cb 0.29 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 29.74 1nup h ARG 30 CO -0.01 0.42 0.49 -0.44 -1.51 0.00 0.00 179.97 178.92 1nup h ASP 31 N 0.24 0.90 -0.00 -3.80 3.32 -1.19 -0.49 116.42 115.40 1nup h ASP 31 Ca 0.08 -0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.09 1nup h ASP 31 Cb 0.20 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1nup h ASP 31 CO -0.01 0.68 -0.03 -0.74 -1.72 0.00 0.00 179.24 177.43 1nup h HIS 32 N 1.05 -0.06 -0.82 4.55 2.76 -1.08 -0.13 115.15 121.41 1nup h HIS 32 Ca 0.28 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.43 1nup h HIS 32 Cb -0.08 0.03 -0.04 0.00 1.55 0.00 0.00 27.41 28.87 1nup h HIS 32 CO -0.01 -0.04 0.41 -0.07 -1.30 0.00 0.00 177.93 176.92 1nup h LEU 33 N -0.05 1.05 -1.05 0.26 3.38 -0.97 -2.34 115.31 115.60 1nup h LEU 33 Ca 0.01 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1nup h LEU 33 Cb 0.06 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 1nup h LEU 33 CO -0.03 0.88 0.06 0.45 0.09 0.00 0.00 178.44 179.88 1nup h HIS 34 N 1.15 0.77 0.00 1.13 3.86 -0.85 -2.62 115.15 118.58 1nup h HIS 34 Ca 0.28 -0.08 0.00 0.00 -1.16 0.00 0.00 60.37 59.41 1nup h HIS 34 Cb 0.09 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 28.34 1nup h HIS 34 CO 0.01 0.69 0.00 1.96 0.86 0.00 0.00 177.93 181.45 1nup h GLN 35 N 0.70 0.00 0.00 2.45 4.20 -0.47 -0.64 115.11 121.36 1nup h GLN 35 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 1nup h GLN 35 Cb 0.35 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.13 1nup h GLN 35 CO 0.01 0.00 0.00 0.25 -0.67 0.00 0.00 178.83 178.42 1nup n THR 36 N -3.08 0.63 -0.75 -0.54 -2.24 -0.99 -4.91 114.28 102.40 1nup n THR 36 Ca -0.01 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.74 1nup n THR 36 Cb 0.22 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 1nup n THR 36 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nup n GLY 37 N 0.79 0.91 0.24 3.38 0.00 -0.25 -4.83 105.19 105.43 1nup n GLY 37 Ca 0.04 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.10 1nup n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nup n MET 38 N -2.00 1.41 -4.36 1.61 0.00 -1.26 -4.81 117.12 107.71 1nup n MET 38 Ca 0.00 -0.72 -0.21 0.00 0.00 0.00 0.00 57.70 56.78 1nup n MET 38 Cb 0.00 -1.07 -0.11 0.00 0.00 0.00 0.00 33.22 32.04 1nup n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nup s TYR 39 N -0.98 1.85 -0.17 3.17 1.51 -1.26 -0.51 117.35 120.96 1nup s TYR 39 Ca 0.08 -0.49 -0.04 0.00 -1.01 0.00 0.00 57.07 55.61 1nup s TYR 39 Cb 0.07 -0.88 0.06 0.00 -0.11 0.00 0.00 41.96 41.09 1nup s TYR 39 CO 0.16 0.39 0.06 -1.14 -1.11 0.00 0.00 175.55 173.92 1nup s GLN 40 N -3.21 0.36 -0.14 -0.62 0.74 -0.15 -4.37 119.66 112.27 1nup s GLN 40 Ca 0.20 -0.22 -0.29 0.00 0.05 0.00 0.00 55.36 55.10 1nup s GLN 40 Cb -0.04 -1.88 -0.01 0.00 1.10 0.00 0.00 33.01 32.18 1nup s GLN 40 CO 0.08 -0.63 1.01 0.08 -0.55 0.00 0.00 175.29 175.28 1nup s VAL 41 N 2.00 4.76 -0.52 1.34 1.01 -1.26 -0.91 120.40 126.82 1nup s VAL 41 Ca 0.01 2.04 0.13 0.00 0.00 0.00 0.00 61.98 64.15 1nup s VAL 41 Cb -0.16 -4.31 -0.15 0.00 0.00 0.00 0.00 36.38 31.75 1nup s VAL 41 CO -0.08 -0.05 0.51 2.30 0.00 0.00 0.00 175.10 177.78 1nup n ILE 42 N 4.76 0.00 -3.56 2.22 -5.35 0.03 -4.89 119.36 112.57 1nup n ILE 42 Ca 0.10 -0.21 -0.11 0.00 -0.27 0.00 0.00 62.75 62.26 1nup n ILE 42 Cb 0.48 0.87 -0.05 0.00 -1.74 0.00 0.00 39.64 39.20 1nup n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nup s GLN 43 N -2.34 0.69 0.01 6.28 0.74 -1.24 -4.97 119.66 118.83 1nup s GLN 43 Ca 0.03 0.06 0.06 0.00 0.05 0.00 0.00 55.36 55.57 1nup s GLN 43 Cb 0.10 0.32 -0.02 0.00 1.10 0.00 0.00 33.01 34.51 1nup s GLN 43 CO 0.54 -0.24 -0.19 0.20 -0.55 0.00 0.00 175.29 175.05 1nup s GLY 44 N -1.41 0.99 -0.09 2.59 0.00 0.10 -1.19 107.32 108.30 1nup s GLY 44 Ca -0.01 -0.91 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1nup s GLY 44 CO 0.00 -0.81 -0.10 -0.42 0.00 0.00 0.00 173.10 171.77 1nup s ILE 45 N -0.62 1.09 -0.25 0.90 1.01 0.86 -1.04 121.20 123.15 1nup s ILE 45 Ca 0.07 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.21 1nup s ILE 45 Cb -0.08 -1.05 -0.05 0.00 0.01 0.00 0.00 42.46 41.29 1nup s ILE 45 CO 0.00 0.36 0.23 -0.63 0.00 0.00 0.00 174.94 174.91 1nup s ILE 46 N 1.21 5.29 -0.41 2.92 -1.09 -0.05 -0.76 121.20 128.32 1nup s ILE 46 Ca -0.04 0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.71 1nup s ILE 46 Cb -0.14 -3.57 0.12 0.00 -1.58 0.00 0.00 42.46 37.29 1nup s ILE 46 CO -0.03 0.27 0.17 -0.55 -1.23 0.00 0.00 174.94 173.58 1nup s SER 47 N 1.38 4.14 0.38 3.58 0.15 -0.22 -0.98 113.70 122.13 1nup s SER 47 Ca 0.10 -2.41 -0.28 0.00 0.70 0.00 0.00 55.95 54.06 1nup s SER 47 Cb -0.15 -1.28 -0.11 0.00 -1.71 0.00 0.00 66.02 62.77 1nup s SER 47 CO 0.08 -0.31 1.49 -2.84 1.20 0.00 0.00 173.24 172.86 1nup s PRO 48 N 0.58 4.10 0.71 5.44 0.02 -1.26 -3.27 135.00 141.33 1nup s PRO 48 Ca 0.14 2.58 -0.11 0.00 0.02 0.00 0.00 61.00 63.63 1nup s PRO 48 Cb -0.22 -2.96 0.02 0.00 0.02 0.00 0.00 34.50 31.35 1nup s PRO 48 CO -0.07 -0.54 1.07 0.54 -0.33 0.00 0.00 177.00 177.67 1nup s VAL 49 N -1.12 3.75 0.54 3.83 0.11 -0.34 -3.60 120.40 123.57 1nup s VAL 49 Ca 0.53 0.60 -0.21 0.00 -2.93 0.00 0.00 61.98 59.97 1nup s VAL 49 Cb -0.47 -3.22 -0.05 0.00 -1.53 0.00 0.00 36.38 31.11 1nup s VAL 49 CO 0.64 -0.71 1.22 0.21 -3.33 0.00 0.00 175.10 173.12 1nup s ASN 50 N -3.53 5.53 0.60 3.54 3.84 -1.26 -4.72 114.94 118.94 1nup s ASN 50 Ca 0.60 2.42 0.39 0.00 0.21 0.00 0.00 52.86 56.48 1nup s ASN 50 Cb -0.15 -2.61 1.98 0.00 -0.55 0.00 0.00 41.25 39.92 1nup s ASN 50 CO 0.53 -1.36 2.19 0.44 -2.79 0.00 0.00 177.10 176.11 1nup h ASP 51 N 1.35 0.00 1.11 -4.21 3.32 -1.94 -2.51 116.42 113.55 1nup h ASP 51 Ca -0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.55 1nup h ASP 51 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 1nup h ASP 51 CO 0.57 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.44 1nup n THR 52 N -3.02 0.53 -2.19 0.35 -2.24 -1.26 -4.90 114.28 101.55 1nup n THR 52 Ca -0.02 -0.06 -0.39 0.00 -2.27 0.00 0.00 64.05 61.31 1nup n THR 52 Cb 0.15 -0.72 -0.02 0.00 -2.10 0.00 0.00 70.33 67.65 1nup n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nup s TYR 53 N -3.11 3.03 0.19 4.78 5.04 -0.95 -4.91 117.35 121.44 1nup s TYR 53 Ca 0.10 1.49 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 1nup s TYR 53 Cb 0.13 -3.54 0.00 0.00 0.35 0.00 0.00 41.96 38.91 1nup s TYR 53 CO 0.51 -1.61 0.00 0.41 -1.34 0.00 0.00 175.55 173.51 1nup n GLY 54 N 0.74 -1.44 0.07 8.97 0.00 -1.26 -4.68 105.19 107.58 1nup n GLY 54 Ca 0.03 -1.04 0.06 0.00 0.00 0.00 0.00 46.02 45.06 1nup n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nup n LYS 55 N -3.25 0.64 -2.35 1.61 5.02 -1.26 -4.96 118.16 113.60 1nup n LYS 55 Ca 0.01 0.03 -0.32 0.00 -2.02 0.00 0.00 58.31 56.01 1nup n LYS 55 Cb 0.38 -1.69 -0.03 0.00 -0.02 0.00 0.00 35.03 33.68 1nup n LYS 55 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1nup s LYS 56 N -3.19 3.86 -0.10 1.97 2.20 -1.26 -5.04 119.74 118.19 1nup s LYS 56 Ca -0.05 0.85 -0.23 0.00 -0.36 0.00 0.00 55.97 56.18 1nup s LYS 56 Cb 0.10 -2.16 -0.03 0.00 -1.51 0.00 0.00 37.83 34.24 1nup s LYS 56 CO 0.84 -0.30 0.71 -0.51 -0.36 0.00 0.00 175.35 175.73 1nup s ASP 57 N -3.30 6.95 0.06 1.43 1.01 -1.26 -5.04 116.67 116.51 1nup s ASP 57 Ca 0.57 1.14 0.07 0.00 0.71 0.00 0.00 52.55 55.04 1nup s ASP 57 Cb -0.10 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 1nup s ASP 57 CO 0.36 -0.18 -0.16 -0.76 0.21 0.00 0.00 175.17 174.64 1nup s LEU 58 N 1.14 2.75 0.82 1.23 1.43 -1.26 -5.11 118.68 119.69 1nup s LEU 58 Ca 0.37 -0.41 -0.11 0.00 -1.03 0.00 0.00 54.13 52.94 1nup s LEU 58 Cb -0.17 -1.60 0.09 0.00 0.03 0.00 0.00 46.19 44.54 1nup s LEU 58 CO 0.16 0.23 1.13 0.00 0.23 0.00 0.00 176.35 178.11 1nup s ALA 59 N -1.01 1.90 0.38 4.21 0.00 -1.26 -4.89 121.76 121.08 1nup s ALA 59 Ca 0.16 0.51 -0.26 0.00 0.00 0.00 0.00 51.96 52.38 1nup s ALA 59 Cb -0.11 -3.38 -0.11 0.00 0.00 0.00 0.00 23.12 19.52 1nup s ALA 59 CO 0.08 -2.20 1.10 0.00 0.00 0.00 0.00 175.76 174.73 1nup n ALA 60 N -3.67 0.47 0.23 0.00 0.00 -1.26 -4.76 120.51 111.52 1nup n ALA 60 Ca 0.11 0.29 0.10 0.00 0.00 0.00 0.00 53.44 53.94 1nup n ALA 60 Cb 0.52 -2.13 0.67 0.00 0.00 0.00 0.00 19.45 18.52 1nup n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nup h SER 61 N 1.89 0.00 -0.50 0.00 4.64 -1.90 -0.11 113.55 117.57 1nup h SER 61 Ca -0.44 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.96 1nup h SER 61 Cb 1.32 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 1nup h SER 61 CO 0.59 0.00 0.11 -0.74 -0.87 0.00 0.00 176.83 175.92 1nup h HIS 62 N 0.00 0.18 -0.38 4.77 -0.00 -1.96 0.15 115.15 117.91 1nup h HIS 62 Ca 0.03 0.03 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 1nup h HIS 62 Cb 0.12 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.52 1nup h HIS 62 CO 0.00 0.01 -0.40 0.45 -0.00 0.00 0.00 177.93 177.99 1nup h HIS 63 N 0.25 1.13 -0.35 5.26 3.86 -1.39 -2.06 115.15 121.84 1nup h HIS 63 Ca 0.25 -0.34 -0.12 0.00 -1.16 0.00 0.00 60.37 59.00 1nup h HIS 63 Cb 0.33 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1nup h HIS 63 CO -0.22 1.18 -0.26 0.00 0.86 0.00 0.00 177.93 179.48 1nup h ARG 64 N 0.76 0.71 -0.44 2.45 3.08 -0.53 0.13 114.38 120.53 1nup h ARG 64 Ca 0.06 -0.30 -0.08 0.00 0.07 0.00 0.00 59.98 59.73 1nup h ARG 64 Cb 1.00 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.01 1nup h ARG 64 CO 0.10 0.90 -0.05 0.28 -1.07 0.00 0.00 179.97 180.12 1nup h VAL 65 N 0.61 1.27 0.04 2.04 2.07 -0.77 -1.24 116.25 120.27 1nup h VAL 65 Ca 0.08 -1.13 -0.00 0.00 0.82 0.00 0.00 66.70 66.47 1nup h VAL 65 Cb 0.76 1.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.64 1nup h VAL 65 CO 0.06 0.39 -0.02 0.00 0.02 0.00 0.00 177.57 178.02 1nup h ALA 66 N 0.88 -0.05 -0.98 1.67 0.00 -0.94 -0.00 119.26 119.83 1nup h ALA 66 Ca 0.12 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1nup h ALA 66 Cb 0.57 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 1nup h ALA 66 CO 0.03 -0.51 0.65 0.52 0.00 0.00 0.00 179.25 179.94 1nup h MET 67 N -0.09 1.26 -0.53 0.00 2.07 -0.70 -0.38 114.93 116.56 1nup h MET 67 Ca -0.01 -0.08 -0.04 0.00 -2.07 0.00 0.00 59.70 57.51 1nup h MET 67 Cb 0.07 -0.28 -0.02 0.00 -1.87 0.00 0.00 31.60 29.49 1nup h MET 67 CO 0.01 0.84 0.17 0.00 1.07 0.00 0.00 176.91 179.00 1nup h ALA 68 N 1.38 0.70 -0.52 6.32 0.00 -0.84 0.22 119.26 126.51 1nup h ALA 68 Ca 0.37 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1nup h ALA 68 Cb -0.10 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 1nup h ALA 68 CO -0.10 0.35 0.32 -0.09 0.00 0.00 0.00 179.25 179.73 1nup h ARG 69 N 0.73 0.61 -0.64 0.00 2.43 -0.28 -0.38 114.38 116.86 1nup h ARG 69 Ca 0.17 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1nup h ARG 69 Cb 0.27 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.65 1nup h ARG 69 CO -0.01 0.40 0.12 -0.07 -1.51 0.00 0.00 179.97 178.90 1nup h LEU 70 N 0.63 1.00 -1.34 3.80 3.38 -0.84 -2.61 115.31 119.33 1nup h LEU 70 Ca 0.21 -0.25 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 1nup h LEU 70 Cb 0.01 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.48 1nup h LEU 70 CO -0.09 1.00 0.17 0.00 0.09 0.00 0.00 178.44 179.61 1nup h ALA 71 N 1.04 1.48 -0.08 1.53 0.00 -0.47 -2.91 119.26 119.86 1nup h ALA 71 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1nup h ALA 71 Cb 0.42 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1nup h ALA 71 CO 0.01 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.94 1nup n LEU 72 N -4.37 1.40 0.21 0.00 4.77 -0.19 -4.13 117.00 114.69 1nup n LEU 72 Ca 0.03 -0.53 0.07 0.00 -0.03 0.00 0.00 56.01 55.55 1nup n LEU 72 Cb 0.15 -0.04 0.58 0.00 -2.33 0.00 0.00 43.42 41.78 1nup n LEU 72 CO 0.37 0.26 1.06 -0.61 -1.33 0.00 0.00 177.39 177.15 1nup h GLN 73 N 2.03 0.10 -0.64 3.23 5.75 -1.26 -0.75 115.11 123.58 1nup h GLN 73 Ca 0.00 -0.01 0.00 0.00 -0.15 0.00 0.00 58.65 58.49 1nup h GLN 73 Cb 0.44 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 28.97 1nup h GLN 73 CO 0.00 0.09 0.00 0.25 -2.65 0.00 0.00 178.83 176.52 1nup n THR 74 N -4.50 1.49 -4.36 2.39 -2.24 -1.26 -4.85 114.28 100.96 1nup n THR 74 Ca -0.02 -0.89 -0.35 0.00 -2.27 0.00 0.00 64.05 60.52 1nup n THR 74 Cb 0.11 -0.07 -0.10 0.00 -2.10 0.00 0.00 70.33 68.17 1nup n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nup s SER 75 N -0.73 5.19 0.00 3.42 0.15 -0.29 -4.99 113.70 116.46 1nup s SER 75 Ca 0.38 0.10 0.21 0.00 0.70 0.00 0.00 55.95 57.35 1nup s SER 75 Cb 0.26 -1.54 0.54 0.00 -1.71 0.00 0.00 66.02 63.57 1nup s SER 75 CO 0.16 0.34 1.46 -0.90 1.20 0.00 0.00 173.24 175.50 1nup n ASP 76 N 2.41 3.69 0.00 5.45 5.68 -1.26 -4.53 116.55 127.99 1nup n ASP 76 Ca -0.18 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.12 1nup n ASP 76 Cb 0.53 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.13 1nup n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nup n TRP 77 N 1.48 0.00 -4.75 2.11 4.27 -1.26 -5.08 117.44 114.21 1nup n TRP 77 Ca 0.21 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.49 1nup n TRP 77 Cb 0.59 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.42 1nup n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nup s ILE 78 N 0.00 3.28 0.10 -1.67 1.01 -1.26 -0.72 121.20 121.94 1nup s ILE 78 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.06 1nup s ILE 78 Cb 0.00 -2.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 1nup s ILE 78 CO 0.00 0.56 -0.07 0.00 0.00 0.00 0.00 174.94 175.43 1nup s ARG 79 N -0.32 0.86 0.03 2.79 1.70 -0.20 -4.82 118.95 118.98 1nup s ARG 79 Ca 0.03 -1.34 -0.07 0.00 -0.47 0.00 0.00 55.73 53.88 1nup s ARG 79 Cb -0.13 -0.27 -0.05 0.00 -0.57 0.00 0.00 34.95 33.93 1nup s ARG 79 CO 0.02 -0.00 0.31 0.54 -1.08 0.00 0.00 175.30 175.09 1nup s VAL 80 N -3.52 5.24 -0.19 4.99 0.11 -1.26 -0.87 120.40 124.90 1nup s VAL 80 Ca 0.12 0.25 -0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1nup s VAL 80 Cb 0.04 -3.59 0.05 0.00 -1.53 0.00 0.00 36.38 31.35 1nup s VAL 80 CO -0.04 0.34 -0.03 -0.62 -3.33 0.00 0.00 175.10 171.42 1nup s ASP 81 N -1.73 3.17 0.00 3.54 3.68 -0.15 -4.88 116.67 120.29 1nup s ASP 81 Ca 0.29 -0.87 0.31 0.00 2.13 0.00 0.00 52.55 54.41 1nup s ASP 81 Cb -0.13 -0.90 1.83 0.00 -1.45 0.00 0.00 42.92 42.26 1nup s ASP 81 CO 0.17 -0.24 2.16 -0.81 0.13 0.00 0.00 175.17 176.58 1nup n PRO 82 N 4.86 0.96 -0.13 4.34 -0.04 -1.26 -4.39 135.00 139.35 1nup n PRO 82 Ca -0.11 0.00 -0.05 0.00 -0.04 0.00 0.00 63.50 63.30 1nup n PRO 82 Cb 0.46 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.44 1nup n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nup h TRP 83 N 0.00 -0.60 -0.61 0.54 7.01 -1.95 -0.45 115.95 119.90 1nup h TRP 83 Ca 0.00 0.05 0.08 0.00 2.11 0.00 0.00 58.89 61.13 1nup h TRP 83 Cb 0.00 0.33 -0.06 0.00 -2.10 0.00 0.00 29.16 27.32 1nup h TRP 83 CO 0.00 -0.31 0.27 1.49 -2.79 0.00 0.00 178.44 177.10 1nup h GLU 84 N -0.14 0.47 0.00 2.65 4.81 -1.86 -1.71 114.58 118.79 1nup h GLU 84 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1nup h GLU 84 Cb 0.47 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.74 1nup h GLU 84 CO -0.52 0.31 0.00 0.66 -0.73 0.00 0.00 179.01 178.72 1nup h SER 85 N 0.48 0.00 0.58 1.04 4.64 -1.34 -2.87 113.55 116.08 1nup h SER 85 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1nup h SER 85 Cb 0.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.40 1nup h SER 85 CO -0.26 0.00 -0.12 -0.62 -0.87 0.00 0.00 176.83 174.96 1nup n GLU 86 N -2.56 0.36 -1.53 4.77 1.02 -0.28 -4.69 120.64 117.73 1nup n GLU 86 Ca 0.04 -0.10 -0.31 0.00 -0.02 0.00 0.00 57.16 56.77 1nup n GLU 86 Cb 0.38 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.37 1nup n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nup s GLN 87 N -2.71 2.57 0.24 3.49 -1.52 -1.08 -4.94 119.66 115.72 1nup s GLN 87 Ca 0.22 0.88 -0.06 0.00 -1.95 0.00 0.00 55.36 54.45 1nup s GLN 87 Cb 0.19 -1.95 0.25 0.00 -0.22 0.00 0.00 33.01 31.28 1nup s GLN 87 CO 0.52 -1.34 1.86 0.00 -0.25 0.00 0.00 175.29 176.09 1nup h ALA 88 N -0.89 1.19 -2.52 6.09 0.00 -1.90 -3.45 119.26 117.79 1nup h ALA 88 Ca -0.45 -0.13 -0.24 0.00 0.00 0.00 0.00 54.91 54.09 1nup h ALA 88 Cb 1.23 -0.35 -0.15 0.00 0.00 0.00 0.00 17.79 18.53 1nup h ALA 88 CO 0.57 0.64 -0.63 -0.65 0.00 0.00 0.00 179.25 179.19 1nup s GLN 89 N -5.79 1.14 0.67 0.00 -0.21 -1.26 -4.92 119.66 109.30 1nup s GLN 89 Ca -0.12 -1.59 -0.17 0.00 0.02 0.00 0.00 55.36 53.50 1nup s GLN 89 Cb 0.17 0.20 -0.02 0.00 1.00 0.00 0.00 33.01 34.36 1nup s GLN 89 CO 0.82 -0.34 0.93 1.87 -2.12 0.00 0.00 175.29 176.45 1nup n TRP 90 N -0.24 0.62 -4.22 0.91 -0.00 -1.26 -4.95 117.44 108.29 1nup n TRP 90 Ca -0.00 0.41 -0.18 0.00 -0.00 0.00 0.00 57.50 57.73 1nup n TRP 90 Cb 0.65 -2.09 -0.15 0.00 -0.00 0.00 0.00 31.31 29.72 1nup n TRP 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 1nup s MET 91 N -3.03 0.61 0.51 5.87 -2.45 -1.26 -5.08 119.30 114.46 1nup s MET 91 Ca 0.74 -0.21 -0.23 0.00 -1.25 0.00 0.00 55.69 54.75 1nup s MET 91 Cb -0.38 -0.60 -0.06 0.00 1.25 0.00 0.00 34.83 35.04 1nup s MET 91 CO 0.49 0.09 1.37 0.39 1.05 0.00 0.00 175.02 178.41 1nup n GLU 92 N 3.18 1.89 -0.23 4.11 4.71 -1.26 -4.84 120.64 128.20 1nup n GLU 92 Ca -0.16 0.68 0.14 0.00 -0.01 0.00 0.00 57.16 57.81 1nup n GLU 92 Cb 0.56 -2.57 0.43 0.00 -1.01 0.00 0.00 31.44 28.85 1nup n GLU 92 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1nup h THR 93 N 1.76 0.80 -0.28 2.62 2.02 -2.00 -0.71 112.91 117.12 1nup h THR 93 Ca -0.51 -0.20 0.01 0.00 0.77 0.00 0.00 66.41 66.49 1nup h THR 93 Cb 1.29 0.18 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 1nup h THR 93 CO 0.58 0.10 0.19 1.62 0.37 0.00 0.00 175.52 178.38 1nup h VAL 94 N 0.57 1.05 0.00 3.16 3.04 -1.92 -0.89 116.25 121.25 1nup h VAL 94 Ca 0.43 -0.12 -0.12 0.00 -1.01 0.00 0.00 66.70 65.88 1nup h VAL 94 Cb 0.82 0.68 -0.02 0.00 -2.01 0.00 0.00 31.29 30.76 1nup h VAL 94 CO -0.18 0.06 -0.58 0.11 -1.01 0.00 0.00 177.57 175.98 1nup h LYS 95 N 0.34 0.00 -0.16 4.17 1.57 -1.47 -1.27 116.57 119.75 1nup h LYS 95 Ca 0.11 0.00 -0.19 0.00 -1.87 0.00 0.00 60.65 58.70 1nup h LYS 95 Cb 0.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.33 1nup h LYS 95 CO -0.02 0.58 -0.68 0.28 -0.57 0.00 0.00 179.45 179.04 1nup h VAL 96 N 0.00 1.32 -0.42 0.50 2.07 -1.16 -1.16 116.25 117.39 1nup h VAL 96 Ca -0.01 -1.95 -0.03 0.00 0.82 0.00 0.00 66.70 65.54 1nup h VAL 96 Cb 1.14 1.92 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 1nup h VAL 96 CO 0.08 0.61 0.15 -0.07 0.02 0.00 0.00 177.57 178.36 1nup h LEU 97 N 0.45 0.60 -0.63 2.57 3.38 -1.00 -1.02 115.31 119.65 1nup h LEU 97 Ca -0.02 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.78 1nup h LEU 97 Cb 1.27 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 1nup h LEU 97 CO 0.13 0.62 0.41 0.03 0.09 0.00 0.00 178.44 179.72 1nup h ARG 98 N 0.54 0.81 -0.05 1.13 3.08 -1.14 0.14 114.38 118.89 1nup h ARG 98 Ca 0.14 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1nup h ARG 98 Cb 0.22 -0.18 -0.00 0.00 0.08 0.00 0.00 29.97 30.09 1nup h ARG 98 CO -0.01 0.53 0.03 1.25 -1.07 0.00 0.00 179.97 180.71 1nup h HIS 99 N 0.83 0.07 0.00 3.04 2.76 -0.83 -1.51 115.15 119.51 1nup h HIS 99 Ca 0.24 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.35 1nup h HIS 99 Cb -0.06 -0.02 -0.01 0.00 1.55 0.00 0.00 27.41 28.87 1nup h HIS 99 CO -0.04 0.07 -0.29 0.45 -1.30 0.00 0.00 177.93 176.82 1nup h HIS 100 N 0.05 0.00 -0.19 5.26 3.86 -0.81 -2.14 115.15 121.18 1nup h HIS 100 Ca 0.02 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 1nup h HIS 100 Cb 0.02 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 1nup h HIS 100 CO -0.07 0.29 -0.09 1.25 0.86 0.00 0.00 177.93 180.18 1nup h HIS 101 N 0.00 0.45 -0.74 2.45 6.17 -0.40 -2.85 115.15 120.24 1nup h HIS 101 Ca -0.00 -0.11 0.02 0.00 0.71 0.00 0.00 60.37 60.99 1nup h HIS 101 Cb 0.62 -0.11 -0.04 0.00 2.52 0.00 0.00 27.41 30.41 1nup h HIS 101 CO 0.00 0.69 0.49 0.77 0.71 0.00 0.00 177.93 180.59 1nup h SER 102 N 0.09 0.81 0.25 3.26 0.02 -0.95 -0.47 113.55 116.55 1nup h SER 102 Ca 0.04 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1nup h SER 102 Cb 0.56 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 62.91 1nup h SER 102 CO 0.03 0.57 -0.12 0.50 -1.14 0.00 0.00 176.83 176.67 1nup h LYS 103 N 0.94 0.00 -0.00 3.45 3.64 -1.27 -2.10 116.57 121.23 1nup h LYS 103 Ca 0.29 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 59.46 1nup h LYS 103 Cb -0.01 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 1nup h LYS 103 CO -0.08 0.12 -0.90 -0.07 -2.27 0.00 0.00 179.45 176.25 1nup h LEU 104 N 0.00 0.39 -9.40 5.20 3.38 -0.85 -3.51 115.31 110.51 1nup h LEU 104 Ca -0.00 -0.31 -0.53 0.00 0.09 0.00 0.00 57.88 57.13 1nup h LEU 104 Cb 0.27 -0.12 0.02 0.00 0.09 0.00 0.00 40.66 40.93 1nup h LEU 104 CO 0.02 1.11 1.16 -0.76 0.09 0.00 0.00 178.44 180.06 1nup s LEU 105 N -7.58 4.41 0.00 1.67 1.43 -0.80 -4.95 118.68 112.86 1nup s LEU 105 Ca -0.04 2.64 0.00 0.00 -1.03 0.00 0.00 54.13 55.70 1nup s LEU 105 Cb 0.10 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.77 1nup s LEU 105 CO 0.85 -1.01 0.00 0.00 0.23 0.00 0.00 176.35 176.41 1nup n ALA 126 N 6.77 0.00 -2.71 4.21 0.00 -1.26 -5.01 120.51 122.51 1nup n ALA 126 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.21 1nup n ALA 126 Cb 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.82 1nup n ALA 126 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nup s VAL 127 N 0.00 4.90 0.67 0.00 1.01 -1.26 -5.02 120.40 120.70 1nup s VAL 127 Ca 0.00 1.90 -0.16 0.00 0.00 0.00 0.00 61.98 63.72 1nup s VAL 127 Cb 0.00 -4.25 0.01 0.00 0.00 0.00 0.00 36.38 32.14 1nup s VAL 127 CO 0.00 0.15 1.19 -2.16 0.00 0.00 0.00 175.10 174.28 1nup s PRO 128 N 1.15 2.52 0.06 2.72 0.04 -1.26 -4.90 135.00 135.33 1nup s PRO 128 Ca 0.48 1.72 -0.24 0.00 0.04 0.00 0.00 61.00 62.99 1nup s PRO 128 Cb -0.20 -1.88 -0.06 0.00 0.04 0.00 0.00 34.50 32.40 1nup s PRO 128 CO 0.24 -1.53 0.73 -1.21 0.04 0.00 0.00 177.00 175.27 1nup s GLU 129 N -3.76 4.46 -0.25 4.56 2.02 0.50 -4.88 118.70 121.36 1nup s GLU 129 Ca 0.74 1.01 -0.10 0.00 0.02 0.00 0.00 54.97 56.64 1nup s GLU 129 Cb -0.28 -3.33 -0.04 0.00 0.10 0.00 0.00 34.13 30.57 1nup s GLU 129 CO 0.41 0.37 0.14 -1.17 0.02 0.00 0.00 175.26 175.02 1nup s LEU 130 N -0.33 3.89 0.03 1.80 2.96 -1.26 -1.05 118.68 124.71 1nup s LEU 130 Ca 0.36 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.34 1nup s LEU 130 Cb -0.20 -2.05 -0.02 0.00 0.50 0.00 0.00 46.19 44.41 1nup s LEU 130 CO 0.22 0.02 -0.22 -0.54 -1.32 0.00 0.00 176.35 174.51 1nup s LYS 131 N 1.34 1.59 -0.10 1.98 1.02 -0.47 -4.07 119.74 121.03 1nup s LYS 131 Ca 0.06 -0.95 -0.26 0.00 0.02 0.00 0.00 55.97 54.85 1nup s LYS 131 Cb -0.15 -1.68 -0.02 0.00 -0.52 0.00 0.00 37.83 35.46 1nup s LYS 131 CO 0.06 0.44 0.84 -1.17 -0.92 0.00 0.00 175.35 174.60 1nup s LEU 132 N -1.03 4.26 -0.21 3.17 2.96 -0.29 -0.83 118.68 126.70 1nup s LEU 132 Ca 0.09 1.31 -0.12 0.00 -0.22 0.00 0.00 54.13 55.19 1nup s LEU 132 Cb -0.09 -3.29 -0.05 0.00 0.50 0.00 0.00 46.19 43.26 1nup s LEU 132 CO 0.01 -0.30 0.21 -0.22 -1.32 0.00 0.00 176.35 174.73 1nup s LEU 133 N 1.55 4.16 0.25 -0.68 2.96 0.16 -1.28 118.68 125.81 1nup s LEU 133 Ca 0.42 0.26 -0.15 0.00 -0.22 0.00 0.00 54.13 54.43 1nup s LEU 133 Cb -0.18 -2.21 0.00 0.00 0.50 0.00 0.00 46.19 44.31 1nup s LEU 133 CO 0.17 0.07 0.55 0.00 -1.32 0.00 0.00 176.35 175.82 1nup s GLY 135 N -2.98 1.85 0.65 0.00 0.00 -1.26 -1.16 107.32 104.41 1nup s GLY 135 Ca 0.19 -0.02 0.40 0.00 0.00 0.00 0.00 44.72 45.28 1nup s GLY 135 CO 0.08 0.24 2.29 0.00 0.00 0.00 0.00 173.10 175.71 1nup h ALA 136 N 0.39 1.18 0.00 3.20 0.00 -1.21 -0.20 119.26 122.63 1nup h ALA 136 Ca -0.46 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 1nup h ALA 136 Cb 1.19 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 1nup h ALA 136 CO 0.62 -0.05 -0.01 0.38 0.00 0.00 0.00 179.25 180.19 1nup h ASP 137 N 0.00 0.00 0.05 0.00 2.03 -1.92 -2.28 116.42 114.30 1nup h ASP 137 Ca 0.01 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 56.16 1nup h ASP 137 Cb 0.10 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.59 1nup h ASP 137 CO -0.00 0.01 -0.47 0.58 -1.03 0.00 0.00 179.24 178.32 1nup h VAL 138 N 0.00 1.32 -0.38 4.15 2.07 -1.40 -2.48 116.25 119.53 1nup h VAL 138 Ca -0.00 -1.69 0.00 0.00 0.82 0.00 0.00 66.70 65.84 1nup h VAL 138 Cb 0.31 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.75 1nup h VAL 138 CO 0.00 0.52 0.24 -0.07 0.02 0.00 0.00 177.57 178.28 1nup h LEU 139 N 0.40 0.44 -0.32 2.57 4.07 -1.56 -1.81 115.31 119.10 1nup h LEU 139 Ca 0.02 -0.02 -0.09 0.00 0.08 0.00 0.00 57.88 57.88 1nup h LEU 139 Cb 0.98 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 42.60 1nup h LEU 139 CO 0.09 0.33 -0.15 0.50 -1.08 0.00 0.00 178.44 178.13 1nup h LYS 140 N 0.52 0.66 0.00 1.13 3.64 -1.50 -2.78 116.57 118.24 1nup h LYS 140 Ca 0.14 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 1nup h LYS 140 Cb -0.03 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1nup h LYS 140 CO -0.03 0.88 -0.00 1.79 -2.27 0.00 0.00 179.45 179.82 1nup h THR 141 N 0.43 0.05 0.00 1.00 1.35 -1.07 0.18 112.91 114.84 1nup h THR 141 Ca 0.07 -0.00 -0.01 0.00 -0.55 0.00 0.00 66.41 65.92 1nup h THR 141 Cb 0.68 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 68.10 1nup h THR 141 CO 0.05 0.00 -0.07 -0.26 -0.25 0.00 0.00 175.52 174.99 1nup h PHE 142 N 0.00 0.00 0.00 4.73 0.05 -1.20 -1.41 116.94 119.11 1nup h PHE 142 Ca -0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nup h PHE 142 Cb 0.00 0.00 0.00 0.00 2.00 0.00 0.00 35.95 37.95 1nup h PHE 142 CO 0.00 0.07 0.00 1.04 -0.18 0.00 0.00 178.31 179.24 1nup n GLN 143 N -3.68 0.08 -2.25 1.51 6.02 0.62 -4.77 117.38 114.90 1nup n GLN 143 Ca -0.02 0.11 -0.42 0.00 -0.01 0.00 0.00 57.00 56.65 1nup n GLN 143 Cb 0.17 -1.60 -0.03 0.00 1.02 0.00 0.00 30.24 29.81 1nup n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nup s THR 144 N -3.04 3.84 0.18 5.09 2.01 -0.53 -4.95 115.64 118.23 1nup s THR 144 Ca 0.12 1.16 -0.33 0.00 0.31 0.00 0.00 61.69 62.95 1nup s THR 144 Cb 0.16 -3.75 -0.14 0.00 0.01 0.00 0.00 72.50 68.78 1nup s THR 144 CO 0.51 -0.03 1.48 -2.65 -0.69 0.00 0.00 174.62 173.23 1nup n PRO 145 N 5.82 1.94 -0.76 4.92 -0.02 -1.26 -1.73 135.00 143.90 1nup n PRO 145 Ca 0.14 0.70 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1nup n PRO 145 Cb 0.44 -2.40 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 1nup n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nup n ASN 146 N 2.86 -0.32 0.05 2.55 3.02 -1.26 -4.87 115.26 117.29 1nup n ASN 146 Ca 0.15 0.00 -0.21 0.00 -0.03 0.00 0.00 54.58 54.50 1nup n ASN 146 Cb 0.28 -1.32 -0.15 0.00 -0.61 0.00 0.00 39.78 37.98 1nup n ASN 146 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1nup h LEU 147 N 0.00 0.49 -8.17 3.41 5.85 -1.67 -3.45 115.31 111.77 1nup h LEU 147 Ca 0.00 -0.94 -0.53 0.00 0.84 0.00 0.00 57.88 57.25 1nup h LEU 147 Cb 0.04 -0.16 -0.31 0.00 0.37 0.00 0.00 40.66 40.59 1nup h LEU 147 CO 0.00 1.44 -0.83 0.26 -0.34 0.00 0.00 178.44 178.97 1nup s TRP 148 N -2.45 1.53 0.21 1.25 0.52 -1.26 -5.12 118.94 113.63 1nup s TRP 148 Ca -0.14 -0.43 -0.30 0.00 0.02 0.00 0.00 56.10 55.26 1nup s TRP 148 Cb 0.01 -1.04 -0.08 0.00 -1.15 0.00 0.00 33.47 31.21 1nup s TRP 148 CO 0.84 -0.15 1.17 0.15 0.02 0.00 0.00 176.95 178.98 1nup s LYS 149 N 0.06 4.53 0.29 4.98 1.02 -1.26 -4.89 119.74 124.47 1nup s LYS 149 Ca -0.03 1.86 0.04 0.00 0.02 0.00 0.00 55.97 57.86 1nup s LYS 149 Cb -0.11 -3.22 0.65 0.00 -0.52 0.00 0.00 37.83 34.64 1nup s LYS 149 CO 0.02 -0.01 1.80 -0.44 -0.92 0.00 0.00 175.35 175.80 1nup h ASP 150 N 4.80 0.86 -0.52 2.83 3.32 -1.99 0.23 116.42 125.95 1nup h ASP 150 Ca -0.45 0.07 -0.02 0.00 0.02 0.00 0.00 57.03 56.65 1nup h ASP 150 Cb 1.21 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.65 1nup h ASP 150 CO 0.72 0.38 0.27 0.00 -1.72 0.00 0.00 179.24 178.89 1nup h ALA 151 N 1.60 1.44 -0.15 3.45 0.00 -1.99 -0.30 119.26 123.30 1nup h ALA 151 Ca 0.54 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.20 1nup h ALA 151 Cb 0.71 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.28 1nup h ALA 151 CO -0.33 0.45 -0.45 0.45 0.00 0.00 0.00 179.25 179.37 1nup h HIS 152 N 0.77 0.74 -0.66 0.00 3.86 -1.00 -1.48 115.15 117.39 1nup h HIS 152 Ca 0.19 -0.30 0.04 0.00 -1.16 0.00 0.00 60.37 59.15 1nup h HIS 152 Cb 0.07 -0.12 -0.05 0.00 1.06 0.00 0.00 27.41 28.37 1nup h HIS 152 CO 0.01 1.06 0.39 0.82 0.86 0.00 0.00 177.93 181.07 1nup h ILE 153 N 0.20 1.04 -0.07 2.45 2.04 -0.62 0.13 117.51 122.67 1nup h ILE 153 Ca -0.02 -0.26 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1nup h ILE 153 Cb 1.07 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.37 1nup h ILE 153 CO 0.10 0.14 0.03 -0.61 0.00 0.00 0.00 178.15 177.81 1nup h GLN 154 N 0.75 0.10 -0.78 2.37 4.15 -0.98 -2.12 115.11 118.61 1nup h GLN 154 Ca 0.28 -0.01 -0.01 0.00 0.77 0.00 0.00 58.65 59.68 1nup h GLN 154 Cb 0.08 -0.02 -0.04 0.00 0.21 0.00 0.00 27.48 27.72 1nup h GLN 154 CO -0.13 0.17 0.46 1.49 -1.93 0.00 0.00 178.83 178.89 1nup h GLU 155 N -0.00 1.06 -0.16 1.69 4.81 -0.85 0.13 114.58 121.25 1nup h GLU 155 Ca 0.02 -0.10 0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1nup h GLU 155 Cb 0.10 -0.22 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1nup h GLU 155 CO -0.00 0.75 0.03 0.82 -0.73 0.00 0.00 179.01 179.87 1nup h ILE 156 N 1.06 0.92 0.03 2.32 2.04 -0.58 0.57 117.51 123.87 1nup h ILE 156 Ca 0.28 -0.03 -0.23 0.00 1.00 0.00 0.00 64.86 65.88 1nup h ILE 156 Cb -0.03 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 1nup h ILE 156 CO -0.05 0.02 -0.98 0.58 0.00 0.00 0.00 178.15 177.71 1nup h VAL 157 N 0.09 1.45 0.00 1.67 2.07 -1.13 0.33 116.25 120.73 1nup h VAL 157 Ca 0.07 -2.62 -0.01 0.00 0.82 0.00 0.00 66.70 64.96 1nup h VAL 157 Cb 0.07 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1nup h VAL 157 CO -0.10 0.77 -0.03 -0.08 0.02 0.00 0.00 177.57 178.15 1nup h GLU 158 N 0.16 0.01 0.00 1.57 4.81 -0.66 -3.24 114.58 117.24 1nup h GLU 158 Ca -0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1nup h GLU 158 Cb 1.64 0.01 0.00 0.00 0.63 0.00 0.00 28.75 31.02 1nup h GLU 158 CO 0.16 0.93 -0.86 0.87 -0.73 0.00 0.00 179.01 179.38 1nup h LYS 159 N -0.89 0.00 0.00 1.92 1.79 -1.05 -3.43 116.57 114.91 1nup h LYS 159 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1nup h LYS 159 Cb 0.94 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1nup h LYS 159 CO 0.01 0.00 -0.03 1.19 -1.08 0.00 0.00 179.45 179.53 1nup n PHE 160 N -2.53 0.00 0.00 -1.35 3.01 -1.01 -4.87 117.46 110.70 1nup n PHE 160 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.47 1nup n PHE 160 Cb 0.52 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.97 1nup n PHE 160 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nup n GLY 161 N 3.39 3.12 3.08 1.37 0.00 0.11 -4.34 105.19 111.92 1nup n GLY 161 Ca -0.00 -1.98 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 1nup n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nup s LEU 162 N 0.00 1.95 -0.20 0.99 1.43 -0.21 -1.14 118.68 121.49 1nup s LEU 162 Ca 0.00 -0.25 0.02 0.00 -1.03 0.00 0.00 54.13 52.86 1nup s LEU 162 Cb 0.00 -0.72 0.04 0.00 0.03 0.00 0.00 46.19 45.54 1nup s LEU 162 CO 0.00 0.14 -0.15 -0.69 0.23 0.00 0.00 176.35 175.88 1nup s VAL 163 N -0.13 1.99 -0.14 -1.59 1.01 -0.40 0.17 120.40 121.31 1nup s VAL 163 Ca 0.02 -1.14 -0.02 0.00 0.00 0.00 0.00 61.98 60.83 1nup s VAL 163 Cb -0.07 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.35 1nup s VAL 163 CO 0.00 0.31 -0.07 0.00 0.00 0.00 0.00 175.10 175.34 1nup s VAL 165 N 0.30 4.77 0.66 0.00 1.01 -0.31 -0.97 120.40 125.85 1nup s VAL 165 Ca -0.06 -0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.71 1nup s VAL 165 Cb -0.15 -3.14 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1nup s VAL 165 CO 0.04 0.47 0.93 0.61 0.00 0.00 0.00 175.10 177.16 1nup n GLY 166 N 3.41 -0.45 2.82 4.51 0.00 -0.83 -0.71 105.19 113.95 1nup n GLY 166 Ca -0.17 -0.23 -0.14 0.00 0.00 0.00 0.00 46.02 45.48 1nup n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nup s ARG 167 N -2.98 -0.01 0.17 1.61 0.52 -1.26 -4.73 118.95 112.27 1nup s ARG 167 Ca 0.75 0.15 -0.33 0.00 -0.52 0.00 0.00 55.73 55.78 1nup s ARG 167 Cb -0.38 -0.16 -0.16 0.00 0.52 0.00 0.00 34.95 34.77 1nup s ARG 167 CO 0.48 -0.12 1.15 0.28 0.02 0.00 0.00 175.30 177.12 1nup n VAL 168 N 3.83 0.88 -0.18 3.52 0.31 -1.26 -1.16 118.33 124.26 1nup n VAL 168 Ca -0.23 -0.22 0.00 0.00 -0.01 0.00 0.00 64.34 63.88 1nup n VAL 168 Cb 0.53 -0.81 0.00 0.00 -0.91 0.00 0.00 33.84 32.65 1nup n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nup n SER 169 N 2.01 0.00 -4.51 4.52 7.64 -1.26 -5.05 113.62 116.97 1nup n SER 169 Ca 0.15 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.72 1nup n SER 169 Cb 0.24 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.32 1nup n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nup s HIS 170 N -2.70 2.70 -0.71 1.43 4.02 -0.31 -5.07 115.29 114.65 1nup s HIS 170 Ca 0.00 -0.16 0.04 0.00 1.02 0.00 0.00 55.06 55.96 1nup s HIS 170 Cb 0.00 -1.55 0.17 0.00 -1.02 0.00 0.00 32.58 30.18 1nup s HIS 170 CO 0.00 0.27 0.50 0.34 1.02 0.00 0.00 174.74 176.88 1nup s ASP 171 N -1.26 4.91 0.24 1.40 2.15 -1.26 -4.72 116.67 118.13 1nup s ASP 171 Ca 0.15 -3.76 -0.05 0.00 0.43 0.00 0.00 52.55 49.32 1nup s ASP 171 Cb -0.11 -1.67 0.45 0.00 -0.30 0.00 0.00 42.92 41.30 1nup s ASP 171 CO 0.05 -0.11 1.70 -0.65 -0.17 0.00 0.00 175.17 175.99 1nup h PRO 172 N 5.57 0.32 -0.98 4.34 0.11 -1.96 -0.36 132.00 139.04 1nup h PRO 172 Ca 0.12 -0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.31 1nup h PRO 172 Cb 0.77 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.74 1nup h PRO 172 CO 0.73 0.21 0.63 0.87 -0.21 0.00 0.00 178.00 180.23 1nup h LYS 173 N 0.33 1.03 -0.32 1.05 1.57 -1.99 0.32 116.57 118.56 1nup h LYS 173 Ca 0.41 -0.06 -0.17 0.00 -1.87 0.00 0.00 60.65 58.96 1nup h LYS 173 Cb 0.67 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 32.75 1nup h LYS 173 CO -0.46 0.68 -0.45 0.78 -0.57 0.00 0.00 179.45 179.43 1nup h GLY 174 N 1.06 0.94 0.83 3.86 0.00 -1.53 -2.00 103.07 106.23 1nup h GLY 174 Ca 0.45 -1.04 0.04 0.00 0.00 0.00 0.00 47.33 46.78 1nup h GLY 174 CO -0.21 0.94 0.40 -0.97 0.00 0.00 0.00 176.54 176.69 1nup h TYR 175 N 0.65 0.74 -0.04 5.60 0.99 -0.39 -1.20 116.97 123.32 1nup h TYR 175 Ca 0.03 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.78 1nup h TYR 175 Cb 1.05 -0.24 -0.00 0.00 1.00 0.00 0.00 36.73 38.54 1nup h TYR 175 CO 0.07 0.41 0.02 0.82 -0.00 0.00 0.00 178.16 179.48 1nup h ILE 176 N 0.77 1.09 -0.34 -2.88 2.04 -0.89 -2.82 117.51 114.48 1nup h ILE 176 Ca 0.27 -0.26 -0.02 0.00 1.00 0.00 0.00 64.86 65.85 1nup h ILE 176 Cb 0.06 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 1nup h ILE 176 CO -0.12 0.07 0.12 0.00 0.00 0.00 0.00 178.15 178.22 1nup h ALA 177 N 0.91 1.56 -0.01 1.87 0.00 -1.02 -2.59 119.26 119.99 1nup h ALA 177 Ca 0.01 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1nup h ALA 177 Cb 0.10 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1nup h ALA 177 CO -0.00 0.34 -0.06 0.39 0.00 0.00 0.00 179.25 179.91 1nup n GLU 178 N -4.38 1.08 -3.86 0.00 1.02 -0.48 -4.70 120.64 109.32 1nup n GLU 178 Ca 0.02 -0.44 -0.36 0.00 -0.02 0.00 0.00 57.16 56.36 1nup n GLU 178 Cb 0.15 -1.49 -0.13 0.00 -0.02 0.00 0.00 31.44 29.95 1nup n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nup s SER 179 N -2.22 4.70 0.26 1.62 0.15 -0.99 -4.99 113.70 112.23 1nup s SER 179 Ca 0.36 -0.76 -0.02 0.00 0.70 0.00 0.00 55.95 56.22 1nup s SER 179 Cb 0.21 -1.77 0.45 0.00 -1.71 0.00 0.00 66.02 63.19 1nup s SER 179 CO 0.41 -0.15 1.81 -0.65 1.20 0.00 0.00 173.24 175.87 1nup h PRO 180 N 8.12 0.82 0.00 5.44 0.11 -1.84 0.13 132.00 144.78 1nup h PRO 180 Ca -0.32 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.74 1nup h PRO 180 Cb 1.12 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.04 1nup h PRO 180 CO 0.59 0.54 -0.00 0.82 -0.21 0.00 0.00 178.00 179.74 1nup h ILE 181 N 0.84 1.15 -0.46 4.15 2.04 -1.94 -1.66 117.51 121.63 1nup h ILE 181 Ca 0.43 -0.46 -0.04 0.00 1.00 0.00 0.00 64.86 65.79 1nup h ILE 181 Cb 0.41 1.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 1nup h ILE 181 CO -0.26 0.12 0.14 -0.07 0.00 0.00 0.00 178.15 178.08 1nup h LEU 182 N -0.20 0.68 -0.65 1.44 3.38 -1.72 -2.77 115.31 115.47 1nup h LEU 182 Ca -0.00 -0.21 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1nup h LEU 182 Cb 0.20 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1nup h LEU 182 CO 0.00 0.71 0.40 -0.09 0.09 0.00 0.00 178.44 179.55 1nup h ARG 183 N 0.61 0.75 0.00 1.13 2.43 -0.55 0.15 114.38 118.91 1nup h ARG 183 Ca 0.15 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.24 1nup h ARG 183 Cb 0.28 -0.17 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1nup h ARG 183 CO -0.00 0.50 -0.15 1.98 -1.51 0.00 0.00 179.97 180.78 1nup h MET 184 N 0.77 0.00 -0.12 0.20 4.05 -1.14 -2.87 114.93 115.83 1nup h MET 184 Ca 0.26 0.00 -0.04 0.00 -0.28 0.00 0.00 59.70 59.64 1nup h MET 184 Cb 0.04 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 30.81 1nup h MET 184 CO -0.11 0.15 -0.19 0.72 0.23 0.00 0.00 176.91 177.71 1nup n HIS 185 N -4.29 0.38 0.28 1.39 8.25 -0.84 -4.78 115.22 115.61 1nup n HIS 185 Ca -0.02 -1.29 0.18 0.00 -0.26 0.00 0.00 57.72 56.32 1nup n HIS 185 Cb 0.22 -0.28 0.95 0.00 1.12 0.00 0.00 29.99 32.00 1nup n HIS 185 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nup h GLN 186 N 0.81 0.00 0.00 -0.41 3.07 -0.49 0.11 115.11 118.20 1nup h GLN 186 Ca 0.05 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.78 1nup h GLN 186 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 1nup h GLN 186 CO 0.12 0.00 -0.05 1.12 0.09 0.00 0.00 178.83 180.11 1nup h HIS 187 N 0.00 0.00 -0.61 0.06 2.07 -1.86 -1.68 115.15 113.13 1nup h HIS 187 Ca 0.04 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.56 1nup h HIS 187 Cb 0.34 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1nup h HIS 187 CO 0.00 0.05 0.00 0.09 -3.07 0.00 0.00 177.93 175.00 1nup n ASN 188 N -3.30 3.83 -4.19 3.10 3.02 0.38 -4.78 115.26 113.32 1nup n ASN 188 Ca -0.01 -2.20 -0.34 0.00 -0.03 0.00 0.00 54.58 52.00 1nup n ASN 188 Cb 0.21 -0.48 -0.15 0.00 -0.61 0.00 0.00 39.78 38.75 1nup n ASN 188 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1nup s ILE 189 N -1.48 2.70 -0.28 2.41 1.01 -0.63 -1.04 121.20 123.88 1nup s ILE 189 Ca 0.44 -0.97 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1nup s ILE 189 Cb 0.26 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1nup s ILE 189 CO 0.25 0.30 0.10 -1.00 0.00 0.00 0.00 174.94 174.59 1nup s HIS 190 N 1.32 3.13 -0.27 3.97 3.76 0.13 -4.97 115.29 122.36 1nup s HIS 190 Ca 0.02 -0.61 -0.13 0.00 -0.15 0.00 0.00 55.06 54.19 1nup s HIS 190 Cb -0.16 -2.28 -0.04 0.00 1.11 0.00 0.00 32.58 31.21 1nup s HIS 190 CO -0.06 -0.45 0.26 -0.51 -0.85 0.00 0.00 174.74 173.13 1nup s LEU 191 N 1.59 4.04 -0.01 0.89 1.43 -1.26 -0.37 118.68 124.98 1nup s LEU 191 Ca 0.05 0.14 0.02 0.00 -1.03 0.00 0.00 54.13 53.31 1nup s LEU 191 Cb -0.16 -2.25 -0.03 0.00 0.03 0.00 0.00 46.19 43.78 1nup s LEU 191 CO 0.04 -0.08 -0.05 0.00 0.23 0.00 0.00 176.35 176.49 1nup s ALA 192 N 1.76 3.08 -0.26 4.21 0.00 -0.15 -4.97 121.76 125.43 1nup s ALA 192 Ca 0.10 -0.97 -0.05 0.00 0.00 0.00 0.00 51.96 51.05 1nup s ALA 192 Cb -0.16 -1.21 0.01 0.00 0.00 0.00 0.00 23.12 21.76 1nup s ALA 192 CO 0.10 0.61 0.01 0.15 0.00 0.00 0.00 175.76 176.63 1nup s LYS 193 N -1.31 3.08 -0.43 0.00 1.02 -1.26 -1.96 119.74 118.87 1nup s LYS 193 Ca 0.17 -0.84 -0.14 0.00 0.02 0.00 0.00 55.97 55.18 1nup s LYS 193 Cb -0.11 -3.18 0.05 0.00 -0.52 0.00 0.00 37.83 34.07 1nup s LYS 193 CO 0.07 -0.37 0.32 -2.00 -0.92 0.00 0.00 175.35 172.45 1nup s GLU 194 N 1.44 2.90 0.59 1.68 2.56 -1.26 -4.94 118.70 121.68 1nup s GLU 194 Ca 0.02 -1.24 0.29 0.00 0.00 0.00 0.00 54.97 54.04 1nup s GLU 194 Cb -0.16 -3.99 1.59 0.00 2.00 0.00 0.00 34.13 33.57 1nup s GLU 194 CO -0.01 -0.90 2.01 -1.35 -0.56 0.00 0.00 175.26 174.46 1nup h PRO 195 N 8.63 0.00 -6.43 4.30 0.11 -1.99 -3.42 132.00 133.20 1nup h PRO 195 Ca -0.27 0.00 -0.54 0.00 0.11 0.00 0.00 66.00 65.30 1nup h PRO 195 Cb 1.11 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1nup h PRO 195 CO 0.79 0.00 0.45 0.08 -0.21 0.00 0.00 178.00 179.12 1nup s VAL 196 N -4.60 4.56 0.08 3.15 1.01 -1.26 -4.98 120.40 118.36 1nup s VAL 196 Ca -0.04 1.84 -0.21 0.00 0.00 0.00 0.00 61.98 63.56 1nup s VAL 196 Cb 0.15 -4.18 -0.08 0.00 0.00 0.00 0.00 36.38 32.28 1nup s VAL 196 CO 0.53 0.13 1.35 1.56 0.00 0.00 0.00 175.10 178.67 1nup h GLN 197 N 6.83 -0.30 0.00 2.72 1.08 -2.02 -3.44 115.11 119.99 1nup h GLN 197 Ca -0.41 0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.81 1nup h GLN 197 Cb 1.21 0.07 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 1nup h GLN 197 CO 0.78 -0.20 0.00 -1.71 -0.95 0.00 0.00 178.83 176.75 1nup n ASN 198 N -4.39 0.00 -3.18 1.46 2.85 -1.26 -4.76 115.26 105.98 1nup n ASN 198 Ca -0.03 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.33 1nup n ASN 198 Cb 0.23 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 41.21 1nup n ASN 198 CO 0.00 0.00 0.00 1.21 -2.11 0.00 0.00 177.26 176.36 1nup n GLU 199 N 0.00 -0.97 -3.25 1.20 4.07 -1.26 -4.83 120.64 115.60 1nup n GLU 199 Ca 0.00 0.01 -0.41 0.00 -0.06 0.00 0.00 57.16 56.71 1nup n GLU 199 Cb 0.00 -1.21 -0.08 0.00 -0.06 0.00 0.00 31.44 30.09 1nup n GLU 199 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1nup s ILE 200 N -3.54 5.04 -0.09 6.31 1.01 -1.26 -5.07 121.20 123.60 1nup s ILE 200 Ca 0.01 0.50 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 1nup s ILE 200 Cb -0.00 -3.91 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 1nup s ILE 200 CO 0.35 -0.11 0.11 -0.94 0.00 0.00 0.00 174.94 174.35 1nup s SER 201 N 1.70 6.06 0.53 3.58 1.04 -1.26 -4.91 113.70 120.44 1nup s SER 201 Ca 0.19 0.36 0.20 0.00 0.48 0.00 0.00 55.95 57.17 1nup s SER 201 Cb -0.15 -1.89 1.37 0.00 0.10 0.00 0.00 66.02 65.45 1nup s SER 201 CO 0.12 0.38 2.13 0.00 0.98 0.00 0.00 173.24 176.85 1nup h ALA 202 N 4.86 2.02 -0.68 5.32 0.00 -1.93 0.53 119.26 129.38 1nup h ALA 202 Ca -0.53 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 1nup h ALA 202 Cb 1.21 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.98 1nup h ALA 202 CO 0.58 -0.12 0.25 1.15 0.00 0.00 0.00 179.25 181.11 1nup h THR 203 N 0.00 1.25 -0.47 0.00 2.02 -1.93 0.66 112.91 114.44 1nup h THR 203 Ca 0.05 -0.80 -0.05 0.00 0.77 0.00 0.00 66.41 66.37 1nup h THR 203 Cb 0.19 0.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 1nup h THR 203 CO -0.00 0.32 0.08 0.22 0.37 0.00 0.00 175.52 176.51 1nup h TYR 204 N 0.98 0.82 -0.55 3.16 3.20 -1.34 -1.75 116.97 121.49 1nup h TYR 204 Ca 0.23 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1nup h TYR 204 Cb 0.24 -0.23 -0.05 0.00 1.54 0.00 0.00 36.73 38.24 1nup h TYR 204 CO 0.02 0.76 0.29 0.82 -1.64 0.00 0.00 178.16 178.41 1nup h ILE 205 N 0.64 0.96 -0.70 1.81 1.08 -0.54 0.09 117.51 120.85 1nup h ILE 205 Ca 0.14 -0.19 -0.06 0.00 -0.39 0.00 0.00 64.86 64.36 1nup h ILE 205 Cb 0.38 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 34.45 1nup h ILE 205 CO 0.01 0.10 0.21 0.03 -0.69 0.00 0.00 178.15 177.81 1nup h ARG 206 N 0.56 1.10 -0.46 2.37 3.08 -0.72 -1.67 114.38 118.64 1nup h ARG 206 Ca 0.24 -0.24 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1nup h ARG 206 Cb 0.14 -0.16 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1nup h ARG 206 CO -0.16 0.95 0.05 -0.09 -1.07 0.00 0.00 179.97 179.65 1nup h ARG 207 N 1.03 0.77 -0.15 0.04 2.43 -0.67 -1.52 114.38 116.32 1nup h ARG 207 Ca 0.23 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1nup h ARG 207 Cb 0.31 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1nup h ARG 207 CO -0.01 0.80 0.09 0.00 -1.51 0.00 0.00 179.97 179.34 1nup h ALA 208 N 0.94 0.19 -0.53 2.80 0.00 -0.87 -2.15 119.26 119.63 1nup h ALA 208 Ca 0.14 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 1nup h ALA 208 Cb 0.42 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1nup h ALA 208 CO 0.01 -0.34 0.24 -0.07 0.00 0.00 0.00 179.25 179.09 1nup h LEU 209 N 0.18 0.30 -2.12 0.00 3.38 -1.18 -0.12 115.31 115.75 1nup h LEU 209 Ca 0.06 0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 1nup h LEU 209 Cb -0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nup h LEU 209 CO -0.03 0.21 -0.03 1.23 0.09 0.00 0.00 178.44 179.91 1nup h GLY 210 N 0.45 0.00 -1.61 0.83 0.00 -0.92 -0.82 103.07 101.00 1nup h GLY 210 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 1nup h GLY 210 CO -0.21 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.27 1nup n GLN 211 N -4.21 2.10 -1.15 4.80 6.02 -0.66 -4.14 117.38 120.15 1nup n GLN 211 Ca -0.03 -1.68 -0.05 0.00 -0.01 0.00 0.00 57.00 55.23 1nup n GLN 211 Cb 0.11 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 29.93 1nup n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nup n GLY 212 N 1.30 0.78 3.92 1.08 0.00 -0.31 -5.03 105.19 106.92 1nup n GLY 212 Ca 0.17 -0.71 -0.26 0.00 0.00 0.00 0.00 46.02 45.22 1nup n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nup s GLN 213 N -2.29 3.44 0.31 1.61 -0.21 -0.15 -5.00 119.66 117.37 1nup s GLN 213 Ca 0.00 -0.06 -0.27 0.00 0.02 0.00 0.00 55.36 55.04 1nup s GLN 213 Cb 0.00 -2.49 -0.09 0.00 1.00 0.00 0.00 33.01 31.43 1nup s GLN 213 CO 0.00 -0.11 1.00 0.45 -2.12 0.00 0.00 175.29 174.51 1nup s SER 214 N -4.10 7.27 -0.09 5.90 0.15 -1.26 -4.30 113.70 117.27 1nup s SER 214 Ca 0.45 2.02 0.13 0.00 0.70 0.00 0.00 55.95 59.24 1nup s SER 214 Cb -0.10 -2.60 0.19 0.00 -1.71 0.00 0.00 66.02 61.80 1nup s SER 214 CO 0.41 -0.12 1.08 1.33 1.20 0.00 0.00 173.24 177.15 1nup n VAL 215 N 0.81 1.39 -1.88 4.45 0.24 -1.26 -4.95 118.33 117.13 1nup n VAL 215 Ca 0.01 -1.65 -0.39 0.00 -2.04 0.00 0.00 64.34 60.27 1nup n VAL 215 Cb 0.48 0.02 0.01 0.00 -1.47 0.00 0.00 33.84 32.88 1nup n VAL 215 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nup s LYS 216 N -2.06 3.69 0.00 7.34 2.20 -1.26 -1.57 119.74 128.08 1nup s LYS 216 Ca 0.21 2.30 0.00 0.00 -0.36 0.00 0.00 55.97 58.12 1nup s LYS 216 Cb 0.19 -2.62 0.00 0.00 -1.51 0.00 0.00 37.83 33.89 1nup s LYS 216 CO 0.02 -0.77 0.00 0.66 -0.36 0.00 0.00 175.35 174.90 1nup n TYR 217 N -0.24 0.00 -0.07 4.03 4.02 -1.26 -4.77 117.16 118.87 1nup n TYR 217 Ca 0.06 0.00 -0.07 0.00 -0.01 0.00 0.00 57.90 57.87 1nup n TYR 217 Cb 0.43 -0.60 -0.09 0.00 -0.02 0.00 0.00 39.34 39.06 1nup n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nup n LEU 218 N 0.00 0.78 -4.16 7.72 4.77 -0.61 -4.99 117.00 120.51 1nup n LEU 218 Ca 0.00 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1nup n LEU 218 Cb 0.06 0.08 -0.10 0.00 -2.33 0.00 0.00 43.42 41.13 1nup n LEU 218 CO 0.00 0.43 -0.40 0.27 -1.33 0.00 0.00 177.39 176.36 1nup s ILE 219 N -2.31 0.80 0.36 -0.08 -4.36 -1.09 -1.29 121.20 113.23 1nup s ILE 219 Ca -0.10 -1.73 -0.27 0.00 -0.26 0.00 0.00 60.65 58.29 1nup s ILE 219 Cb 0.04 -1.44 -0.12 0.00 1.25 0.00 0.00 42.46 42.20 1nup s ILE 219 CO 0.47 -0.69 1.27 -2.65 0.24 0.00 0.00 174.94 173.59 1nup n PRO 220 N 0.36 2.05 -0.35 0.37 -0.02 -1.26 -4.77 135.00 131.38 1nup n PRO 220 Ca -0.15 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.18 1nup n PRO 220 Cb 0.59 -2.33 0.33 0.00 -0.02 0.00 0.00 33.50 32.07 1nup n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nup h ASP 221 N 2.39 0.77 0.08 2.55 3.32 -1.98 0.02 116.42 123.57 1nup h ASP 221 Ca -0.46 0.09 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 1nup h ASP 221 Cb 1.29 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 1nup h ASP 221 CO 0.62 0.29 -0.22 0.00 -1.72 0.00 0.00 179.24 178.21 1nup h ALA 222 N 1.64 1.37 -0.25 3.45 0.00 -1.90 -2.05 119.26 121.52 1nup h ALA 222 Ca 0.57 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 55.01 1nup h ALA 222 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 1nup h ALA 222 CO -0.36 0.43 -0.59 0.28 0.00 0.00 0.00 179.25 179.01 1nup h VAL 223 N 0.23 1.28 -0.84 0.00 2.07 -1.33 -2.56 116.25 115.09 1nup h VAL 223 Ca 0.04 -1.78 -0.02 0.00 0.82 0.00 0.00 66.70 65.76 1nup h VAL 223 Cb 0.51 1.73 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 1nup h VAL 223 CO 0.03 0.58 0.45 0.40 0.02 0.00 0.00 177.57 179.05 1nup h ILE 224 N 0.62 1.25 -0.47 4.57 2.04 -1.02 -0.98 117.51 123.52 1nup h ILE 224 Ca -0.00 -0.64 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1nup h ILE 224 Cb 1.21 0.13 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 1nup h ILE 224 CO 0.13 0.29 0.30 0.74 0.00 0.00 0.00 178.15 179.60 1nup h THR 225 N 1.18 1.13 -0.37 -0.27 2.02 -1.28 -0.59 112.91 114.74 1nup h THR 225 Ca 0.29 -0.28 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 1nup h THR 225 Cb 0.05 0.47 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1nup h THR 225 CO -0.04 0.13 0.14 0.22 0.37 0.00 0.00 175.52 176.34 1nup h TYR 226 N 0.63 0.57 -0.69 3.16 3.20 -1.14 0.14 116.97 122.85 1nup h TYR 226 Ca 0.17 -0.05 0.02 0.00 3.14 0.00 0.00 58.73 62.02 1nup h TYR 226 Cb -0.04 -0.17 -0.04 0.00 1.54 0.00 0.00 36.73 38.02 1nup h TYR 226 CO -0.04 0.52 0.44 0.82 -1.64 0.00 0.00 178.16 178.27 1nup h ILE 227 N 0.44 1.12 -0.12 1.81 2.04 -0.90 -0.39 117.51 121.52 1nup h ILE 227 Ca 0.12 -0.30 -0.02 0.00 1.00 0.00 0.00 64.86 65.66 1nup h ILE 227 Cb 0.20 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.45 1nup h ILE 227 CO -0.01 0.16 -0.01 0.50 0.00 0.00 0.00 178.15 178.79 1nup h LYS 228 N 0.88 0.22 -0.12 2.37 3.64 -0.84 -0.12 116.57 122.60 1nup h LYS 228 Ca 0.27 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1nup h LYS 228 Cb -0.03 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1nup h LYS 228 CO -0.09 0.49 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.13 1nup h ASP 229 N -0.08 0.15 -0.51 4.20 3.32 -0.35 -2.67 116.42 120.49 1nup h ASP 229 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1nup h ASP 229 Cb 0.40 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.91 1nup h ASP 229 CO 0.01 0.20 0.00 1.41 -1.72 0.00 0.00 179.24 179.14 1nup n HIS 230 N -4.42 0.69 -3.84 4.55 8.25 -0.19 -4.99 115.22 115.27 1nup n HIS 230 Ca -0.01 -0.50 -0.27 0.00 -0.26 0.00 0.00 57.72 56.68 1nup n HIS 230 Cb 0.16 -0.02 0.03 0.00 1.12 0.00 0.00 29.99 31.28 1nup n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nup n GLY 231 N 0.97 -0.41 3.91 -1.41 0.00 -0.19 -4.98 105.19 103.08 1nup n GLY 231 Ca 0.17 0.17 -0.27 0.00 0.00 0.00 0.00 46.02 46.09 1nup n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nup s LEU 232 N -7.06 3.49 -1.47 0.99 1.43 -0.41 -4.32 118.68 111.32 1nup s LEU 232 Ca 0.40 0.85 -0.07 0.00 -1.03 0.00 0.00 54.13 54.29 1nup s LEU 232 Cb -0.20 -3.77 0.03 0.00 0.03 0.00 0.00 46.19 42.28 1nup s LEU 232 CO 0.82 -0.74 0.64 -1.22 0.23 0.00 0.00 176.35 176.08 1nup n TYR 233 N -2.37 -2.02 -3.16 0.29 4.02 -1.26 -4.87 117.16 107.79 1nup n TYR 233 Ca 0.02 0.57 -0.31 0.00 -0.01 0.00 0.00 57.90 58.17 1nup n TYR 233 Cb 0.56 -4.13 -0.04 0.00 -0.02 0.00 0.00 39.34 35.70 1nup n TYR 233 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1nup s THR 234 N -3.13 4.85 -0.29 -0.72 -4.23 -1.26 -3.06 115.64 107.79 1nup s THR 234 Ca 0.37 0.55 0.00 0.00 -1.18 0.00 0.00 61.69 61.42 1nup s THR 234 Cb -0.17 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1nup s THR 234 CO 0.45 -0.29 0.07 0.29 -0.54 0.00 0.00 174.62 174.61