#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nuu s ARG 4 N 0.00 4.43 -0.09 4.33 0.52 -1.26 -4.98 118.95 121.90 1nuu s ARG 4 Ca 0.00 1.13 -0.29 0.00 -0.52 0.00 0.00 55.73 56.05 1nuu s ARG 4 Cb 0.00 -2.78 -0.02 0.00 0.52 0.00 0.00 34.95 32.68 1nuu s ARG 4 CO 0.00 0.30 0.99 0.42 0.02 0.00 0.00 175.30 177.03 1nuu s ILE 5 N -1.63 4.81 0.39 1.52 1.01 0.05 -4.75 121.20 122.60 1nuu s ILE 5 Ca 0.48 2.02 -0.25 0.00 0.00 0.00 0.00 60.65 62.90 1nuu s ILE 5 Cb -0.17 -4.30 -0.09 0.00 0.01 0.00 0.00 42.46 37.91 1nuu s ILE 5 CO 0.22 0.04 1.15 -2.84 0.00 0.00 0.00 174.94 173.51 1nuu s PRO 6 N 1.80 4.13 -0.00 2.79 0.02 -1.26 -0.89 135.00 141.59 1nuu s PRO 6 Ca 0.48 1.80 0.01 0.00 0.02 0.00 0.00 61.00 63.31 1nuu s PRO 6 Cb -0.19 -2.71 -0.00 0.00 0.02 0.00 0.00 34.50 31.62 1nuu s PRO 6 CO 0.20 -0.24 -0.04 0.08 -0.33 0.00 0.00 177.00 176.66 1nuu s VAL 7 N -1.42 0.30 -0.10 3.83 1.01 0.07 -1.11 120.40 122.98 1nuu s VAL 7 Ca 0.56 -0.19 0.03 0.00 0.00 0.00 0.00 61.98 62.38 1nuu s VAL 7 Cb -0.30 -0.27 -0.01 0.00 0.00 0.00 0.00 36.38 35.81 1nuu s VAL 7 CO 0.37 0.07 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 1nuu s VAL 8 N -0.13 2.46 -0.21 2.92 1.01 -0.64 -1.03 120.40 124.78 1nuu s VAL 8 Ca 0.01 -0.89 -0.09 0.00 0.00 0.00 0.00 61.98 61.01 1nuu s VAL 8 Cb -0.02 -1.97 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1nuu s VAL 8 CO -0.00 0.55 0.11 -0.76 0.00 0.00 0.00 175.10 175.00 1nuu s LEU 9 N 0.15 4.02 -0.18 3.92 1.43 -0.14 -1.17 118.68 126.71 1nuu s LEU 9 Ca -0.11 0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 53.11 1nuu s LEU 9 Cb -0.16 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.01 1nuu s LEU 9 CO 0.06 0.14 -0.11 -0.22 0.23 0.00 0.00 176.35 176.44 1nuu s LEU 10 N 0.61 2.62 -0.28 1.79 2.96 0.06 -0.00 118.68 126.43 1nuu s LEU 10 Ca 0.06 -0.45 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 1nuu s LEU 10 Cb -0.12 -1.62 0.02 0.00 0.50 0.00 0.00 46.19 44.96 1nuu s LEU 10 CO 0.01 0.04 0.02 0.00 -1.32 0.00 0.00 176.35 175.10 1nuu s ALA 11 N 1.09 2.91 -0.14 5.97 0.00 0.67 0.21 121.76 132.48 1nuu s ALA 11 Ca 0.00 -1.49 -0.10 0.00 0.00 0.00 0.00 51.96 50.38 1nuu s ALA 11 Cb -0.15 -1.97 -0.05 0.00 0.00 0.00 0.00 23.12 20.96 1nuu s ALA 11 CO -0.03 -0.92 0.19 0.00 0.00 0.00 0.00 175.76 175.00 1nuu n GLY 13 N 2.68 -1.18 0.13 0.00 0.00 -1.16 -4.99 105.19 100.67 1nuu n GLY 13 Ca -0.17 -1.00 -0.17 0.00 0.00 0.00 0.00 46.02 44.68 1nuu n GLY 13 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1nuu h SER 14 N 0.00 0.48 -6.26 1.61 0.02 -1.94 0.69 113.55 108.16 1nuu h SER 14 Ca 0.00 -0.78 -0.41 0.00 -0.84 0.00 0.00 61.79 59.75 1nuu h SER 14 Cb 0.00 -0.15 0.06 0.00 0.14 0.00 0.00 62.40 62.46 1nuu h SER 14 CO 0.00 1.20 -0.88 0.49 -1.14 0.00 0.00 176.83 176.51 1nuu n PHE 15 N -4.25 -1.98 -3.20 3.45 3.01 -1.26 -4.44 117.46 108.79 1nuu n PHE 15 Ca -0.11 0.53 -0.26 0.00 1.01 0.00 0.00 57.45 58.62 1nuu n PHE 15 Cb 0.66 -3.37 -0.06 0.00 -0.01 0.00 0.00 39.48 36.70 1nuu n PHE 15 CO 0.00 0.00 0.00 -1.71 1.01 0.00 0.00 176.76 176.06 1nuu n ASN 16 N -2.55 3.37 -4.90 4.37 4.05 -1.26 -3.30 115.26 115.05 1nuu n ASN 16 Ca -0.11 -3.41 -0.21 0.00 0.45 0.00 0.00 54.58 51.30 1nuu n ASN 16 Cb 0.59 -0.62 0.07 0.00 1.23 0.00 0.00 39.78 41.05 1nuu n ASN 16 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1nuu s PRO 17 N -2.70 2.16 0.35 1.20 0.04 -1.26 -4.83 135.00 129.94 1nuu s PRO 17 Ca 0.43 -1.35 -0.28 0.00 0.04 0.00 0.00 61.00 59.84 1nuu s PRO 17 Cb 0.22 -2.54 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1nuu s PRO 17 CO -0.08 -0.99 1.30 -1.50 0.04 0.00 0.00 177.00 175.77 1nuu s ILE 18 N -2.81 2.72 0.41 0.56 2.07 -1.21 -4.93 121.20 118.02 1nuu s ILE 18 Ca 0.62 0.71 0.05 0.00 -1.41 0.00 0.00 60.65 60.63 1nuu s ILE 18 Cb -0.06 -3.45 -0.06 0.00 0.13 0.00 0.00 42.46 39.02 1nuu s ILE 18 CO 0.40 0.16 0.02 0.42 -1.91 0.00 0.00 174.94 174.03 1nuu s THR 19 N -1.17 1.67 0.48 4.00 -4.23 -1.26 -4.69 115.64 110.44 1nuu s THR 19 Ca 0.50 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 59.21 1nuu s THR 19 Cb -0.39 -2.79 0.25 0.00 1.34 0.00 0.00 72.50 70.91 1nuu s THR 19 CO 0.52 0.00 2.09 0.78 -0.54 0.00 0.00 174.62 177.46 1nuu h ASN 20 N 1.75 0.00 -0.24 3.99 2.35 -1.45 -2.52 115.58 119.45 1nuu h ASN 20 Ca -0.43 0.00 -0.19 0.00 -0.55 0.00 0.00 56.30 55.13 1nuu h ASN 20 Cb 1.26 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.63 1nuu h ASN 20 CO 0.77 0.10 -0.57 0.24 -1.65 0.00 0.00 177.43 176.32 1nuu h MET 21 N 0.00 0.84 -0.88 0.81 2.86 -1.93 0.13 114.93 116.77 1nuu h MET 21 Ca -0.00 -0.55 0.03 0.00 -2.06 0.00 0.00 59.70 57.13 1nuu h MET 21 Cb 0.19 0.07 -0.05 0.00 0.06 0.00 0.00 31.60 31.87 1nuu h MET 21 CO 0.01 1.18 0.57 0.45 1.06 0.00 0.00 176.91 180.18 1nuu h HIS 22 N 0.64 1.06 -0.22 -0.22 3.86 -1.86 -1.63 115.15 116.78 1nuu h HIS 22 Ca 0.01 0.03 -0.14 0.00 -1.16 0.00 0.00 60.37 59.11 1nuu h HIS 22 Cb 1.17 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.29 1nuu h HIS 22 CO 0.07 0.61 -0.39 -0.07 0.86 0.00 0.00 177.93 179.01 1nuu h LEU 23 N 1.10 0.72 -1.57 2.43 3.38 -1.31 -3.05 115.31 117.01 1nuu h LEU 23 Ca 0.35 -0.54 0.08 0.00 0.09 0.00 0.00 57.88 57.86 1nuu h LEU 23 Cb 0.01 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 1nuu h LEU 23 CO -0.12 1.12 0.41 -0.09 0.09 0.00 0.00 178.44 179.85 1nuu h ARG 24 N 0.34 0.49 -0.78 1.13 9.65 -0.41 -1.75 114.38 123.05 1nuu h ARG 24 Ca 0.01 -0.03 0.10 0.00 -1.10 0.00 0.00 59.98 58.97 1nuu h ARG 24 Cb 0.99 -0.11 -0.08 0.00 -1.39 0.00 0.00 29.97 29.38 1nuu h ARG 24 CO 0.09 0.33 0.42 1.98 2.80 0.00 0.00 179.97 185.58 1nuu h MET 25 N 0.51 0.66 -0.48 0.20 4.05 -1.19 -0.36 114.93 118.32 1nuu h MET 25 Ca 0.27 -0.04 -0.05 0.00 -0.28 0.00 0.00 59.70 59.60 1nuu h MET 25 Cb 0.42 -0.15 -0.02 0.00 -0.80 0.00 0.00 31.60 31.05 1nuu h MET 25 CO -0.08 0.44 0.09 0.74 0.23 0.00 0.00 176.91 178.33 1nuu h PHE 26 N 0.68 0.83 -0.34 1.39 -1.00 -1.40 -1.92 116.94 115.17 1nuu h PHE 26 Ca 0.39 -0.11 -0.04 0.00 2.81 0.00 0.00 57.97 61.02 1nuu h PHE 26 Cb 0.42 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 1nuu h PHE 26 CO -0.09 0.76 0.07 0.93 -1.61 0.00 0.00 178.31 178.37 1nuu h GLU 27 N 0.66 0.56 -0.37 1.51 4.39 -1.25 -0.39 114.58 119.69 1nuu h GLU 27 Ca 0.15 -0.14 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 1nuu h GLU 27 Cb 0.37 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.93 1nuu h GLU 27 CO 0.01 0.63 0.20 0.28 -1.16 0.00 0.00 179.01 178.96 1nuu h VAL 28 N 0.40 1.15 -0.59 3.13 2.07 -1.08 -1.99 116.25 119.34 1nuu h VAL 28 Ca 0.11 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1nuu h VAL 28 Cb 0.33 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 1nuu h VAL 28 CO 0.00 0.15 0.37 0.00 0.02 0.00 0.00 177.57 178.12 1nuu h ALA 29 N 1.06 0.76 -0.29 1.67 0.00 -1.24 -1.22 119.26 119.99 1nuu h ALA 29 Ca 0.13 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1nuu h ALA 29 Cb 0.07 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1nuu h ALA 29 CO -0.02 0.22 0.11 -0.09 0.00 0.00 0.00 179.25 179.47 1nuu h ARG 30 N 0.80 0.44 -0.82 0.00 2.43 -0.82 -1.16 114.38 115.25 1nuu h ARG 30 Ca 0.21 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.29 1nuu h ARG 30 Cb -0.05 -0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1nuu h ARG 30 CO -0.04 0.46 0.46 -0.44 -1.51 0.00 0.00 179.97 178.89 1nuu h ASP 31 N 0.32 1.01 0.29 -3.80 3.32 -1.25 -0.58 116.42 115.74 1nuu h ASP 31 Ca 0.10 -0.08 -0.01 0.00 0.02 0.00 0.00 57.03 57.05 1nuu h ASP 31 Cb 0.19 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.48 1nuu h ASP 31 CO -0.01 0.81 -0.14 -0.74 -1.72 0.00 0.00 179.24 177.44 1nuu h HIS 32 N 1.14 -0.36 -0.83 4.55 2.76 -0.94 0.17 115.15 121.65 1nuu h HIS 32 Ca 0.29 -0.01 0.03 0.00 -2.20 0.00 0.00 60.37 58.49 1nuu h HIS 32 Cb 0.02 0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.04 1nuu h HIS 32 CO 0.01 -0.17 0.53 -0.07 -1.30 0.00 0.00 177.93 176.94 1nuu h LEU 33 N -0.47 0.88 -0.76 0.26 3.38 -1.03 -1.97 115.31 115.60 1nuu h LEU 33 Ca -0.04 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.85 1nuu h LEU 33 Cb 0.35 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1nuu h LEU 33 CO 0.06 0.60 0.12 0.45 0.09 0.00 0.00 178.44 179.77 1nuu h HIS 34 N 1.03 1.12 0.00 1.13 3.86 -0.88 -2.34 115.15 119.07 1nuu h HIS 34 Ca 0.33 -0.14 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1nuu h HIS 34 Cb 0.02 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.18 1nuu h HIS 34 CO -0.02 0.94 0.00 1.96 0.86 0.00 0.00 177.93 181.66 1nuu h GLN 35 N 1.00 0.00 0.00 2.45 4.20 0.10 -0.60 115.11 122.26 1nuu h GLN 35 Ca 0.20 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.88 1nuu h GLN 35 Cb 0.41 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.18 1nuu h GLN 35 CO 0.01 0.00 -0.14 1.79 -0.67 0.00 0.00 178.83 179.82 1nuu h THR 36 N 0.00 0.33 0.00 -0.54 1.35 -1.03 -3.47 112.91 109.55 1nuu h THR 36 Ca 0.00 -0.97 0.00 0.00 -0.55 0.00 0.00 66.41 64.89 1nuu h THR 36 Cb 0.17 1.75 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1nuu h THR 36 CO 0.00 0.14 0.00 0.61 -0.25 0.00 0.00 175.52 176.02 1nuu n GLY 37 N 0.28 2.17 0.58 5.82 0.00 -0.23 -4.87 105.19 108.94 1nuu n GLY 37 Ca 0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.10 1nuu n GLY 37 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1nuu n MET 38 N -2.00 1.23 -4.31 1.61 0.00 -1.26 -4.82 117.12 107.56 1nuu n MET 38 Ca 0.00 -1.34 -0.18 0.00 0.00 0.00 0.00 57.70 56.18 1nuu n MET 38 Cb 0.00 -1.29 -0.10 0.00 0.00 0.00 0.00 33.22 31.83 1nuu n MET 38 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 1nuu s TYR 39 N -1.35 1.62 -0.22 3.17 1.51 -1.26 -0.77 117.35 120.05 1nuu s TYR 39 Ca 0.17 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1nuu s TYR 39 Cb 0.13 -0.79 0.07 0.00 -0.11 0.00 0.00 41.96 41.26 1nuu s TYR 39 CO 0.22 0.28 0.06 -1.14 -1.11 0.00 0.00 175.55 173.86 1nuu s GLN 40 N -3.32 0.53 -0.17 -0.62 0.74 -0.07 -4.41 119.66 112.34 1nuu s GLN 40 Ca 0.18 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 54.82 1nuu s GLN 40 Cb -0.02 -1.95 -0.01 0.00 1.10 0.00 0.00 33.01 32.13 1nuu s GLN 40 CO 0.05 -0.74 1.14 0.08 -0.55 0.00 0.00 175.29 175.27 1nuu s VAL 41 N 1.89 4.50 -0.70 1.34 1.01 -1.26 -0.75 120.40 126.42 1nuu s VAL 41 Ca 0.02 1.81 0.15 0.00 0.00 0.00 0.00 61.98 63.95 1nuu s VAL 41 Cb -0.17 -4.16 -0.16 0.00 0.00 0.00 0.00 36.38 31.88 1nuu s VAL 41 CO -0.14 -0.12 0.64 2.30 0.00 0.00 0.00 175.10 177.77 1nuu n ILE 42 N 5.17 0.00 -3.57 2.22 -5.35 -0.19 -4.90 119.36 112.74 1nuu n ILE 42 Ca 0.12 -0.15 -0.09 0.00 -0.27 0.00 0.00 62.75 62.36 1nuu n ILE 42 Cb 0.46 0.99 -0.04 0.00 -1.74 0.00 0.00 39.64 39.31 1nuu n ILE 42 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 1nuu s GLN 43 N -2.42 0.55 0.04 6.28 0.74 -1.23 -4.98 119.66 118.63 1nuu s GLN 43 Ca 0.06 0.05 0.06 0.00 0.05 0.00 0.00 55.36 55.58 1nuu s GLN 43 Cb 0.11 0.26 -0.02 0.00 1.10 0.00 0.00 33.01 34.46 1nuu s GLN 43 CO 0.62 -0.19 -0.18 0.20 -0.55 0.00 0.00 175.29 175.19 1nuu s GLY 44 N -1.37 0.97 -0.07 2.59 0.00 0.03 -0.96 107.32 108.51 1nuu s GLY 44 Ca 0.01 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 43.80 1nuu s GLY 44 CO -0.01 -0.88 -0.09 -0.42 0.00 0.00 0.00 173.10 171.69 1nuu s ILE 45 N -0.79 0.96 -0.31 0.90 1.01 1.00 -1.52 121.20 122.45 1nuu s ILE 45 Ca 0.05 -0.35 -0.12 0.00 0.00 0.00 0.00 60.65 60.23 1nuu s ILE 45 Cb -0.08 -0.92 -0.03 0.00 0.01 0.00 0.00 42.46 41.43 1nuu s ILE 45 CO 0.01 0.33 0.22 -0.63 0.00 0.00 0.00 174.94 174.87 1nuu s ILE 46 N 0.96 5.29 -0.44 2.92 -1.09 -0.31 -0.24 121.20 128.29 1nuu s ILE 46 Ca -0.09 -0.00 0.02 0.00 -2.23 0.00 0.00 60.65 58.35 1nuu s ILE 46 Cb -0.15 -3.62 0.12 0.00 -1.58 0.00 0.00 42.46 37.23 1nuu s ILE 46 CO 0.00 0.12 0.19 -0.55 -1.23 0.00 0.00 174.94 173.47 1nuu s SER 47 N 1.74 4.74 0.36 3.58 0.15 -0.18 -0.44 113.70 123.66 1nuu s SER 47 Ca 0.07 -2.51 -0.28 0.00 0.70 0.00 0.00 55.95 53.92 1nuu s SER 47 Cb -0.17 -1.69 -0.10 0.00 -1.71 0.00 0.00 66.02 62.35 1nuu s SER 47 CO 0.11 -0.35 1.39 -2.84 1.20 0.00 0.00 173.24 172.75 1nuu s PRO 48 N 0.42 4.18 0.70 5.44 0.02 -1.26 -3.01 135.00 141.49 1nuu s PRO 48 Ca 0.13 2.38 -0.15 0.00 0.02 0.00 0.00 61.00 63.39 1nuu s PRO 48 Cb -0.22 -2.98 0.02 0.00 0.02 0.00 0.00 34.50 31.34 1nuu s PRO 48 CO -0.04 -0.40 1.14 0.54 -0.33 0.00 0.00 177.00 177.92 1nuu s VAL 49 N -1.14 2.88 0.67 3.83 0.11 0.24 -3.44 120.40 123.54 1nuu s VAL 49 Ca 0.52 0.41 -0.16 0.00 -2.93 0.00 0.00 61.98 59.82 1nuu s VAL 49 Cb -0.43 -2.92 0.01 0.00 -1.53 0.00 0.00 36.38 31.51 1nuu s VAL 49 CO 0.57 -0.26 1.15 0.21 -3.33 0.00 0.00 175.10 173.44 1nuu s ASN 50 N -2.42 4.87 0.53 3.54 3.84 -1.26 -4.71 114.94 119.32 1nuu s ASN 50 Ca 0.69 2.14 0.34 0.00 0.21 0.00 0.00 52.86 56.25 1nuu s ASN 50 Cb -0.23 -2.57 1.49 0.00 -0.55 0.00 0.00 41.25 39.39 1nuu s ASN 50 CO 0.44 -1.80 2.01 0.44 -2.79 0.00 0.00 177.10 175.40 1nuu h ASP 51 N 0.06 0.00 1.00 -4.21 3.32 -1.93 -2.81 116.42 111.84 1nuu h ASP 51 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1nuu h ASP 51 Cb 1.27 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.82 1nuu h ASP 51 CO 0.53 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.40 1nuu n THR 52 N -2.96 0.06 -2.03 0.35 -2.24 -1.26 -4.90 114.28 101.30 1nuu n THR 52 Ca 0.00 0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.39 1nuu n THR 52 Cb 0.25 -0.52 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 1nuu n THR 52 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 1nuu s TYR 53 N -3.00 2.75 0.05 4.78 5.04 -1.06 -4.90 117.35 121.01 1nuu s TYR 53 Ca 0.14 1.41 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 1nuu s TYR 53 Cb 0.18 -3.67 0.00 0.00 0.35 0.00 0.00 41.96 38.83 1nuu s TYR 53 CO 0.52 -2.16 0.00 0.41 -1.34 0.00 0.00 175.55 172.98 1nuu n GLY 54 N 0.64 -1.06 0.03 8.97 0.00 -1.26 -4.60 105.19 107.91 1nuu n GLY 54 Ca 0.05 -1.00 0.05 0.00 0.00 0.00 0.00 46.02 45.11 1nuu n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nuu n LYS 55 N -2.33 0.70 -2.42 1.61 5.02 -1.26 -4.98 118.16 114.49 1nuu n LYS 55 Ca 0.00 -0.14 -0.38 0.00 -2.02 0.00 0.00 58.31 55.78 1nuu n LYS 55 Cb 0.11 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.60 1nuu n LYS 55 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nuu s LYS 56 N -3.15 4.14 -0.33 1.97 -0.14 -1.26 -5.01 119.74 115.95 1nuu s LYS 56 Ca -0.08 1.68 -0.23 0.00 -1.36 0.00 0.00 55.97 55.98 1nuu s LYS 56 Cb 0.11 -2.64 0.00 0.00 -1.68 0.00 0.00 37.83 33.62 1nuu s LYS 56 CO 0.83 -0.20 0.77 -0.51 -0.76 0.00 0.00 175.35 175.47 1nuu s ASP 57 N -1.33 6.59 0.16 2.83 1.01 -1.26 -5.00 116.67 119.67 1nuu s ASP 57 Ca 0.57 0.49 0.05 0.00 0.71 0.00 0.00 52.55 54.37 1nuu s ASP 57 Cb -0.27 -2.39 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1nuu s ASP 57 CO 0.33 -0.66 0.13 -0.76 0.21 0.00 0.00 175.17 174.43 1nuu s LEU 58 N 2.99 3.81 0.78 1.23 1.43 -1.26 -5.09 118.68 122.56 1nuu s LEU 58 Ca 0.31 -0.12 -0.13 0.00 -1.03 0.00 0.00 54.13 53.15 1nuu s LEU 58 Cb -0.14 -2.42 0.07 0.00 0.03 0.00 0.00 46.19 43.73 1nuu s LEU 58 CO 0.14 0.07 1.17 0.00 0.23 0.00 0.00 176.35 177.97 1nuu s ALA 59 N -1.74 1.98 0.39 4.21 0.00 -1.26 -4.89 121.76 120.45 1nuu s ALA 59 Ca 0.31 0.72 -0.26 0.00 0.00 0.00 0.00 51.96 52.73 1nuu s ALA 59 Cb -0.10 -3.43 -0.11 0.00 0.00 0.00 0.00 23.12 19.47 1nuu s ALA 59 CO 0.23 -2.06 1.15 0.00 0.00 0.00 0.00 175.76 175.08 1nuu n ALA 60 N -3.19 0.70 0.21 0.00 0.00 -1.26 -4.74 120.51 112.23 1nuu n ALA 60 Ca 0.12 0.29 0.13 0.00 0.00 0.00 0.00 53.44 53.98 1nuu n ALA 60 Cb 0.51 -2.17 0.72 0.00 0.00 0.00 0.00 19.45 18.52 1nuu n ALA 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1nuu h SER 61 N 1.97 0.00 -0.59 0.00 4.64 -1.90 -0.02 113.55 117.66 1nuu h SER 61 Ca -0.45 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 60.95 1nuu h SER 61 Cb 1.31 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 63.34 1nuu h SER 61 CO 0.59 0.00 0.24 -0.74 -0.87 0.00 0.00 176.83 176.05 1nuu h HIS 62 N 0.00 0.42 -0.12 4.77 -0.00 -1.96 0.13 115.15 118.38 1nuu h HIS 62 Ca 0.06 0.03 -0.22 0.00 -0.00 0.00 0.00 60.37 60.24 1nuu h HIS 62 Cb 0.27 -0.10 0.01 0.00 -0.00 0.00 0.00 27.41 27.58 1nuu h HIS 62 CO 0.00 0.13 -0.78 0.45 -0.00 0.00 0.00 177.93 177.73 1nuu h HIS 63 N 0.43 0.92 -0.31 5.26 3.86 -1.37 -2.08 115.15 121.86 1nuu h HIS 63 Ca 0.29 -0.42 -0.10 0.00 -1.16 0.00 0.00 60.37 58.98 1nuu h HIS 63 Cb 0.32 -0.14 -0.01 0.00 1.06 0.00 0.00 27.41 28.64 1nuu h HIS 63 CO -0.15 1.23 -0.24 0.00 0.86 0.00 0.00 177.93 179.63 1nuu h ARG 64 N 0.46 0.60 -0.39 2.45 3.08 -0.84 0.20 114.38 119.94 1nuu h ARG 64 Ca -0.05 -0.23 -0.10 0.00 0.07 0.00 0.00 59.98 59.66 1nuu h ARG 64 Cb 1.40 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.41 1nuu h ARG 64 CO 0.15 0.79 -0.16 0.28 -1.07 0.00 0.00 179.97 179.97 1nuu h VAL 65 N 0.53 1.28 -0.43 2.04 2.07 -0.80 -1.93 116.25 119.00 1nuu h VAL 65 Ca 0.08 -1.28 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 1nuu h VAL 65 Cb 0.69 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.73 1nuu h VAL 65 CO 0.05 0.43 0.18 0.00 0.02 0.00 0.00 177.57 178.25 1nuu h ALA 66 N 0.82 0.56 -0.82 1.67 0.00 -0.90 -0.70 119.26 119.88 1nuu h ALA 66 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 1nuu h ALA 66 Cb 0.70 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1nuu h ALA 66 CO 0.05 0.15 0.37 0.52 0.00 0.00 0.00 179.25 180.35 1nuu h MET 67 N 0.55 1.20 -0.15 0.00 2.07 -0.57 -1.09 114.93 116.94 1nuu h MET 67 Ca 0.14 -0.19 -0.01 0.00 -2.07 0.00 0.00 59.70 57.57 1nuu h MET 67 Cb 0.18 -0.21 -0.01 0.00 -1.87 0.00 0.00 31.60 29.69 1nuu h MET 67 CO -0.01 0.94 0.05 0.00 1.07 0.00 0.00 176.91 178.95 1nuu h ALA 68 N 1.20 0.20 -0.50 6.32 0.00 -1.02 0.96 119.26 126.42 1nuu h ALA 68 Ca 0.28 -0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.16 1nuu h ALA 68 Cb 0.15 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.80 1nuu h ALA 68 CO -0.03 -0.18 0.03 -0.09 0.00 0.00 0.00 179.25 178.98 1nuu h ARG 69 N 0.07 0.15 -0.57 0.00 2.43 -0.83 0.78 114.38 116.40 1nuu h ARG 69 Ca 0.05 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.12 1nuu h ARG 69 Cb 0.23 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.72 1nuu h ARG 69 CO -0.00 0.10 -0.00 -0.07 -1.51 0.00 0.00 179.97 178.48 1nuu h LEU 70 N 0.15 0.97 -1.48 3.80 3.38 -0.94 -2.49 115.31 118.70 1nuu h LEU 70 Ca 0.25 -0.27 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1nuu h LEU 70 Cb 0.37 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1nuu h LEU 70 CO -0.39 1.02 0.07 0.00 0.09 0.00 0.00 178.44 179.24 1nuu h ALA 71 N 1.07 1.59 -0.11 1.53 0.00 0.02 -2.87 119.26 120.49 1nuu h ALA 71 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1nuu h ALA 71 Cb 0.53 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nuu h ALA 71 CO 0.03 0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.87 1nuu n LEU 72 N -4.38 1.46 0.14 0.00 4.77 0.19 -4.23 117.00 114.95 1nuu n LEU 72 Ca 0.01 -0.58 0.06 0.00 -0.03 0.00 0.00 56.01 55.47 1nuu n LEU 72 Cb 0.17 -0.07 0.52 0.00 -2.33 0.00 0.00 43.42 41.70 1nuu n LEU 72 CO 0.37 0.29 1.08 -0.61 -1.33 0.00 0.00 177.39 177.18 1nuu h GLN 73 N 2.02 0.24 -0.60 3.23 5.75 -1.25 -0.80 115.11 123.70 1nuu h GLN 73 Ca 0.00 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1nuu h GLN 73 Cb 0.44 -0.05 0.00 0.00 1.07 0.00 0.00 27.48 28.94 1nuu h GLN 73 CO 0.00 0.19 0.00 0.25 -2.65 0.00 0.00 178.83 176.62 1nuu n THR 74 N -4.47 1.19 -4.23 2.39 -2.24 -1.26 -4.85 114.28 100.81 1nuu n THR 74 Ca -0.00 -0.77 -0.35 0.00 -2.27 0.00 0.00 64.05 60.66 1nuu n THR 74 Cb 0.11 0.01 -0.10 0.00 -2.10 0.00 0.00 70.33 68.24 1nuu n THR 74 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1nuu s SER 75 N -0.77 5.39 0.00 3.42 0.15 -0.31 -4.99 113.70 116.59 1nuu s SER 75 Ca 0.34 0.12 0.23 0.00 0.70 0.00 0.00 55.95 57.33 1nuu s SER 75 Cb 0.22 -1.72 0.63 0.00 -1.71 0.00 0.00 66.02 63.44 1nuu s SER 75 CO 0.17 0.29 1.53 -0.90 1.20 0.00 0.00 173.24 175.53 1nuu n ASP 76 N 2.73 3.88 0.00 5.45 5.68 -1.26 -4.53 116.55 128.50 1nuu n ASP 76 Ca -0.18 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.11 1nuu n ASP 76 Cb 0.53 -0.47 0.00 0.00 -1.14 0.00 0.00 41.12 40.04 1nuu n ASP 76 CO 0.00 0.00 0.00 -2.67 -1.33 0.00 0.00 177.20 173.20 1nuu n TRP 77 N 1.63 0.00 -4.77 2.11 4.27 -1.26 -5.07 117.44 114.35 1nuu n TRP 77 Ca 0.24 0.00 -0.33 0.00 -3.89 0.00 0.00 57.50 53.52 1nuu n TRP 77 Cb 0.62 0.00 -0.14 0.00 -1.36 0.00 0.00 31.31 30.43 1nuu n TRP 77 CO 0.00 0.00 0.00 0.42 -2.29 0.00 0.00 177.69 175.82 1nuu s ILE 78 N 0.00 3.16 0.15 -1.67 1.01 -1.26 -0.79 121.20 121.80 1nuu s ILE 78 Ca 0.00 -0.64 0.05 0.00 0.00 0.00 0.00 60.65 60.05 1nuu s ILE 78 Cb 0.00 -2.30 -0.04 0.00 0.01 0.00 0.00 42.46 40.12 1nuu s ILE 78 CO 0.00 0.55 -0.11 0.00 0.00 0.00 0.00 174.94 175.38 1nuu s ARG 79 N -0.04 1.07 0.05 2.79 1.70 -0.58 -4.83 118.95 119.12 1nuu s ARG 79 Ca -0.03 -1.44 -0.13 0.00 -0.47 0.00 0.00 55.73 53.66 1nuu s ARG 79 Cb -0.14 -0.67 -0.06 0.00 -0.57 0.00 0.00 34.95 33.51 1nuu s ARG 79 CO 0.04 0.09 0.43 0.54 -1.08 0.00 0.00 175.30 175.32 1nuu s VAL 80 N -3.22 5.01 -0.19 4.99 0.11 -1.26 -1.16 120.40 124.68 1nuu s VAL 80 Ca 0.16 0.72 0.01 0.00 -2.93 0.00 0.00 61.98 59.94 1nuu s VAL 80 Cb 0.02 -3.70 0.04 0.00 -1.53 0.00 0.00 36.38 31.21 1nuu s VAL 80 CO 0.01 0.43 -0.09 -0.62 -3.33 0.00 0.00 175.10 171.50 1nuu s ASP 81 N -1.41 3.26 0.00 3.54 3.68 0.42 -4.87 116.67 121.29 1nuu s ASP 81 Ca 0.29 -0.83 0.30 0.00 2.13 0.00 0.00 52.55 54.44 1nuu s ASP 81 Cb -0.16 -1.16 1.37 0.00 -1.45 0.00 0.00 42.92 41.52 1nuu s ASP 81 CO 0.16 -0.15 1.97 -0.81 0.13 0.00 0.00 175.17 176.47 1nuu n PRO 82 N 4.73 0.39 -0.27 4.34 -0.04 -1.26 -4.32 135.00 138.57 1nuu n PRO 82 Ca -0.14 -0.05 -0.01 0.00 -0.04 0.00 0.00 63.50 63.26 1nuu n PRO 82 Cb 0.47 -1.50 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1nuu n PRO 82 CO 0.00 0.00 0.00 2.35 -0.04 0.00 0.00 175.50 177.81 1nuu h TRP 83 N 0.12 -0.73 -0.52 0.54 7.01 -1.95 -0.46 115.95 119.95 1nuu h TRP 83 Ca 0.00 0.08 0.06 0.00 2.11 0.00 0.00 58.89 61.14 1nuu h TRP 83 Cb 0.34 0.43 -0.05 0.00 -2.10 0.00 0.00 29.16 27.78 1nuu h TRP 83 CO 0.00 -0.37 0.23 1.49 -2.79 0.00 0.00 178.44 177.00 1nuu h GLU 84 N -0.06 0.43 0.00 2.65 4.81 -1.86 -2.08 114.58 118.46 1nuu h GLU 84 Ca 0.32 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.52 1nuu h GLU 84 Cb 0.57 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.86 1nuu h GLU 84 CO -0.79 0.28 0.00 0.66 -0.73 0.00 0.00 179.01 178.43 1nuu h SER 85 N 0.44 0.00 0.50 1.04 4.64 -1.16 -2.95 113.55 116.05 1nuu h SER 85 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1nuu h SER 85 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 1nuu h SER 85 CO -0.21 0.00 -0.10 -0.62 -0.87 0.00 0.00 176.83 175.03 1nuu n GLU 86 N -2.99 0.48 -2.25 4.77 1.02 -0.44 -4.67 120.64 116.56 1nuu n GLU 86 Ca 0.02 -0.13 -0.33 0.00 -0.02 0.00 0.00 57.16 56.70 1nuu n GLU 86 Cb 0.35 -1.50 -0.01 0.00 -0.02 0.00 0.00 31.44 30.26 1nuu n GLU 86 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1nuu s GLN 87 N -2.60 3.55 0.37 3.49 -1.52 -1.12 -4.92 119.66 116.91 1nuu s GLN 87 Ca 0.26 1.21 0.12 0.00 -1.95 0.00 0.00 55.36 55.00 1nuu s GLN 87 Cb 0.20 -2.07 0.91 0.00 -0.22 0.00 0.00 33.01 31.84 1nuu s GLN 87 CO 0.50 -0.62 1.83 0.00 -0.25 0.00 0.00 175.29 176.75 1nuu h ALA 88 N 0.84 1.96 -2.76 6.09 0.00 -1.90 -3.44 119.26 120.05 1nuu h ALA 88 Ca -0.48 0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 1nuu h ALA 88 Cb 1.21 -0.07 -0.11 0.00 0.00 0.00 0.00 17.79 18.83 1nuu h ALA 88 CO 0.58 -0.27 -0.24 1.14 0.00 0.00 0.00 179.25 180.47 1nuu s GLN 89 N -5.62 1.43 0.42 0.00 -2.07 -1.26 -4.93 119.66 107.62 1nuu s GLN 89 Ca -0.10 -1.31 -0.22 0.00 -1.82 0.00 0.00 55.36 51.92 1nuu s GLN 89 Cb 0.23 0.42 -0.13 0.00 -1.09 0.00 0.00 33.01 32.45 1nuu s GLN 89 CO 0.79 -0.56 0.53 1.87 -1.32 0.00 0.00 175.29 176.59 1nuu n TRP 90 N -0.34 -0.57 -4.35 9.60 -0.00 -1.26 -4.96 117.44 115.56 1nuu n TRP 90 Ca -0.02 0.60 -0.22 0.00 -0.00 0.00 0.00 57.50 57.86 1nuu n TRP 90 Cb 0.63 -1.98 -0.16 0.00 -0.00 0.00 0.00 31.31 29.79 1nuu n TRP 90 CO 0.00 0.00 0.00 1.41 -0.00 0.00 0.00 177.69 179.10 1nuu s MET 91 N -1.57 1.15 0.46 5.87 -2.45 -1.26 -5.08 119.30 116.42 1nuu s MET 91 Ca 0.63 -0.24 -0.23 0.00 -1.25 0.00 0.00 55.69 54.60 1nuu s MET 91 Cb -0.60 -1.04 -0.09 0.00 1.25 0.00 0.00 34.83 34.35 1nuu s MET 91 CO 0.58 -0.02 1.07 0.39 1.05 0.00 0.00 175.02 178.09 1nuu n GLU 92 N 3.86 1.41 -0.21 4.11 4.71 -1.26 -4.82 120.64 128.44 1nuu n GLU 92 Ca -0.24 0.51 0.08 0.00 -0.01 0.00 0.00 57.16 57.50 1nuu n GLU 92 Cb 0.51 -2.15 0.35 0.00 -1.01 0.00 0.00 31.44 29.14 1nuu n GLU 92 CO 0.00 0.00 0.00 1.15 0.09 0.00 0.00 177.13 178.37 1nuu h THR 93 N 1.47 0.98 -0.14 2.62 2.02 -2.00 -1.02 112.91 116.85 1nuu h THR 93 Ca -0.46 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 1nuu h THR 93 Cb 1.33 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.89 1nuu h THR 93 CO 0.56 0.14 0.08 1.62 0.37 0.00 0.00 175.52 178.29 1nuu h VAL 94 N 0.76 1.05 -0.06 3.16 3.04 -1.92 -1.18 116.25 121.10 1nuu h VAL 94 Ca 0.35 -0.12 -0.13 0.00 -1.01 0.00 0.00 66.70 65.79 1nuu h VAL 94 Cb 0.36 0.85 -0.01 0.00 -2.01 0.00 0.00 31.29 30.48 1nuu h VAL 94 CO -0.13 0.05 -0.57 0.11 -1.01 0.00 0.00 177.57 176.03 1nuu h LYS 95 N 0.20 0.19 -0.39 4.17 1.57 -1.53 -1.35 116.57 119.43 1nuu h LYS 95 Ca 0.05 -0.12 -0.15 0.00 -1.87 0.00 0.00 60.65 58.56 1nuu h LYS 95 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 1nuu h LYS 95 CO -0.01 0.70 -0.37 0.28 -0.57 0.00 0.00 179.45 179.49 1nuu h VAL 96 N 0.14 1.27 -0.41 0.50 2.07 -1.18 -1.55 116.25 117.09 1nuu h VAL 96 Ca -0.00 -1.54 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1nuu h VAL 96 Cb 1.04 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.15 1nuu h VAL 96 CO 0.08 0.52 0.23 -0.07 0.02 0.00 0.00 177.57 178.35 1nuu h LEU 97 N 0.76 0.50 -0.52 2.57 3.38 -1.10 -1.76 115.31 119.14 1nuu h LEU 97 Ca 0.07 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1nuu h LEU 97 Cb 0.95 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 1nuu h LEU 97 CO 0.09 0.44 0.28 0.03 0.09 0.00 0.00 178.44 179.36 1nuu h ARG 98 N 0.53 0.52 -0.11 1.13 3.08 -1.06 0.15 114.38 118.62 1nuu h ARG 98 Ca 0.14 -0.03 0.01 0.00 0.07 0.00 0.00 59.98 60.18 1nuu h ARG 98 Cb 0.04 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 1nuu h ARG 98 CO -0.02 0.35 0.02 1.25 -1.07 0.00 0.00 179.97 180.49 1nuu h HIS 99 N 0.54 0.04 0.00 3.04 2.76 -0.98 -0.60 115.15 119.95 1nuu h HIS 99 Ca 0.22 0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.32 1nuu h HIS 99 Cb 0.11 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.06 1nuu h HIS 99 CO -0.09 0.02 -0.39 0.45 -1.30 0.00 0.00 177.93 176.61 1nuu h HIS 100 N 0.07 0.00 -0.31 5.26 3.86 -0.94 -1.02 115.15 122.07 1nuu h HIS 100 Ca 0.05 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.21 1nuu h HIS 100 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 1nuu h HIS 100 CO -0.11 0.39 0.01 1.25 0.86 0.00 0.00 177.93 180.34 1nuu h HIS 101 N 0.00 0.57 -0.74 2.45 6.17 -0.26 -2.40 115.15 120.94 1nuu h HIS 101 Ca -0.00 -0.09 0.01 0.00 0.71 0.00 0.00 60.37 60.99 1nuu h HIS 101 Cb 0.81 -0.15 -0.04 0.00 2.52 0.00 0.00 27.41 30.55 1nuu h HIS 101 CO 0.00 0.65 0.49 0.77 0.71 0.00 0.00 177.93 180.55 1nuu h SER 102 N 0.33 0.84 -0.69 3.26 0.02 -0.62 -1.43 113.55 115.26 1nuu h SER 102 Ca 0.09 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1nuu h SER 102 Cb 0.41 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 1nuu h SER 102 CO 0.01 0.60 0.41 0.50 -1.14 0.00 0.00 176.83 177.21 1nuu h LYS 103 N 0.99 0.96 0.00 3.45 3.64 -0.89 -1.65 116.57 123.06 1nuu h LYS 103 Ca 0.28 -0.09 -0.11 0.00 -1.27 0.00 0.00 60.65 59.45 1nuu h LYS 103 Cb -0.09 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.52 1nuu h LYS 103 CO -0.06 0.68 -0.53 -0.07 -2.27 0.00 0.00 179.45 177.20 1nuu h LEU 104 N 0.97 0.00 -8.88 5.20 3.38 -0.79 -3.51 115.31 111.69 1nuu h LEU 104 Ca 0.25 0.00 -0.73 0.00 0.09 0.00 0.00 57.88 57.49 1nuu h LEU 104 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1nuu h LEU 104 CO -0.04 0.53 1.06 0.18 0.09 0.00 0.00 178.44 180.25 1nuu n LEU 105 N -3.57 2.11 -3.06 1.67 4.77 -0.62 -4.96 117.00 113.34 1nuu n LEU 105 Ca -0.00 0.88 -0.13 0.00 -0.03 0.00 0.00 56.01 56.73 1nuu n LEU 105 Cb 0.61 -1.13 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 1nuu n LEU 105 CO 0.40 -0.55 -0.15 0.00 -1.33 0.00 0.00 177.39 175.76 1nuu n ALA 126 N 6.60 -1.16 -2.82 -1.18 0.00 -1.26 -5.06 120.51 115.63 1nuu n ALA 126 Ca 0.33 -0.14 -0.35 0.00 0.00 0.00 0.00 53.44 53.29 1nuu n ALA 126 Cb 0.12 -0.46 -0.10 0.00 0.00 0.00 0.00 19.45 19.02 1nuu n ALA 126 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1nuu s VAL 127 N -3.13 4.64 0.60 0.00 1.01 -1.26 -5.09 120.40 117.18 1nuu s VAL 127 Ca 0.08 -0.10 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 1nuu s VAL 127 Cb -0.04 -3.06 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 1nuu s VAL 127 CO 0.38 0.50 1.26 -2.16 0.00 0.00 0.00 175.10 175.08 1nuu s PRO 128 N 0.03 2.86 0.04 2.72 0.04 -1.26 -4.92 135.00 134.51 1nuu s PRO 128 Ca 0.05 1.97 -0.28 0.00 0.04 0.00 0.00 61.00 62.77 1nuu s PRO 128 Cb -0.12 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.42 1nuu s PRO 128 CO 0.01 -1.33 0.90 -1.21 0.04 0.00 0.00 177.00 175.42 1nuu s GLU 129 N -3.27 4.58 -0.25 4.56 2.02 -0.27 -4.88 118.70 121.18 1nuu s GLU 129 Ca 0.78 1.30 -0.10 0.00 0.02 0.00 0.00 54.97 56.97 1nuu s GLU 129 Cb -0.34 -3.41 -0.05 0.00 0.10 0.00 0.00 34.13 30.43 1nuu s GLU 129 CO 0.37 0.11 0.16 -1.17 0.02 0.00 0.00 175.26 174.75 1nuu s LEU 130 N 0.45 4.01 0.03 1.80 2.96 -1.26 -1.62 118.68 125.04 1nuu s LEU 130 Ca 0.46 0.04 0.08 0.00 -0.22 0.00 0.00 54.13 54.49 1nuu s LEU 130 Cb -0.21 -2.09 -0.02 0.00 0.50 0.00 0.00 46.19 44.36 1nuu s LEU 130 CO 0.27 0.02 -0.23 -0.54 -1.32 0.00 0.00 176.35 174.54 1nuu s LYS 131 N 1.34 1.65 -0.01 1.98 1.02 -0.32 -4.11 119.74 121.30 1nuu s LYS 131 Ca 0.07 -0.96 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 1nuu s LYS 131 Cb -0.15 -1.74 -0.03 0.00 -0.52 0.00 0.00 37.83 35.40 1nuu s LYS 131 CO 0.07 0.46 1.05 -1.17 -0.92 0.00 0.00 175.35 174.83 1nuu s LEU 132 N -1.01 4.34 -0.20 3.17 2.96 -0.12 -0.76 118.68 127.06 1nuu s LEU 132 Ca 0.09 1.73 -0.07 0.00 -0.22 0.00 0.00 54.13 55.66 1nuu s LEU 132 Cb -0.09 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.99 1nuu s LEU 132 CO 0.01 -0.37 0.07 -0.22 -1.32 0.00 0.00 176.35 174.52 1nuu s LEU 133 N 1.31 3.72 0.27 -0.68 2.96 0.13 -0.90 118.68 125.49 1nuu s LEU 133 Ca 0.53 0.01 -0.16 0.00 -0.22 0.00 0.00 54.13 54.29 1nuu s LEU 133 Cb -0.23 -1.96 0.01 0.00 0.50 0.00 0.00 46.19 44.51 1nuu s LEU 133 CO 0.26 0.12 0.58 0.00 -1.32 0.00 0.00 176.35 175.98 1nuu s GLY 135 N -2.99 1.58 0.60 0.00 0.00 -1.26 -0.86 107.32 104.38 1nuu s GLY 135 Ca 0.18 -0.36 0.31 0.00 0.00 0.00 0.00 44.72 44.85 1nuu s GLY 135 CO 0.09 -0.13 2.19 0.00 0.00 0.00 0.00 173.10 175.25 1nuu h ALA 136 N -0.08 1.59 -0.10 3.20 0.00 -1.14 -1.48 119.26 121.25 1nuu h ALA 136 Ca -0.46 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1nuu h ALA 136 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1nuu h ALA 136 CO 0.62 -0.14 -0.05 0.38 0.00 0.00 0.00 179.25 180.07 1nuu h ASP 137 N 0.00 0.13 -0.33 0.00 2.03 -1.93 -2.03 116.42 114.30 1nuu h ASP 137 Ca 0.04 -0.02 -0.10 0.00 -0.73 0.00 0.00 57.03 56.22 1nuu h ASP 137 Cb 0.23 -0.03 -0.02 0.00 -0.83 0.00 0.00 39.33 38.68 1nuu h ASP 137 CO -0.00 0.21 -0.15 0.58 -1.03 0.00 0.00 179.24 178.85 1nuu h VAL 138 N 0.15 1.26 -0.72 4.15 2.07 -1.64 -2.12 116.25 119.40 1nuu h VAL 138 Ca 0.03 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.32 1nuu h VAL 138 Cb 0.19 1.10 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1nuu h VAL 138 CO 0.01 0.42 0.39 0.25 0.02 0.00 0.00 177.57 178.66 1nuu h LEU 139 N 0.69 0.88 -1.09 2.57 5.85 -1.46 -0.99 115.31 121.75 1nuu h LEU 139 Ca 0.11 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.68 1nuu h LEU 139 Cb 0.64 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 1nuu h LEU 139 CO 0.04 0.71 -0.28 0.50 -0.34 0.00 0.00 178.44 179.07 1nuu h LYS 140 N 1.00 0.29 0.00 1.25 3.64 -1.09 -2.80 116.57 118.86 1nuu h LYS 140 Ca 0.25 -0.11 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1nuu h LYS 140 Cb 0.02 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1nuu h LYS 140 CO -0.04 0.55 0.00 0.25 -2.27 0.00 0.00 179.45 177.94 1nuu n THR 141 N -4.13 0.85 0.30 1.00 -2.24 -0.39 -1.95 114.28 107.72 1nuu n THR 141 Ca -0.01 0.25 0.16 0.00 -2.27 0.00 0.00 64.05 62.19 1nuu n THR 141 Cb 0.39 -1.18 0.94 0.00 -2.10 0.00 0.00 70.33 68.38 1nuu n THR 141 CO 0.00 0.00 0.00 -0.26 -0.57 0.00 0.00 175.07 174.24 1nuu h PHE 142 N 0.00 0.00 0.00 4.78 0.05 -1.36 -1.33 116.94 119.09 1nuu h PHE 142 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1nuu h PHE 142 Cb 0.34 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.29 1nuu h PHE 142 CO 0.00 0.02 -0.11 1.04 -0.18 0.00 0.00 178.31 179.08 1nuu n GLN 143 N -3.66 0.07 -2.25 1.51 6.02 -0.82 -4.71 117.38 113.54 1nuu n GLN 143 Ca -0.03 0.05 -0.42 0.00 -0.01 0.00 0.00 57.00 56.59 1nuu n GLN 143 Cb 0.11 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.77 1nuu n GLN 143 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1nuu s THR 144 N -3.03 3.88 -0.05 5.09 2.01 -0.50 -4.92 115.64 118.12 1nuu s THR 144 Ca 0.12 1.17 -0.39 0.00 0.31 0.00 0.00 61.69 62.91 1nuu s THR 144 Cb 0.17 -3.75 -0.17 0.00 0.01 0.00 0.00 72.50 68.76 1nuu s THR 144 CO 0.58 -0.05 1.42 -2.65 -0.69 0.00 0.00 174.62 173.22 1nuu n PRO 145 N 6.08 0.93 -1.08 4.92 -0.02 -1.26 -1.33 135.00 143.23 1nuu n PRO 145 Ca 0.14 0.34 -0.03 0.00 -2.02 0.00 0.00 63.50 61.93 1nuu n PRO 145 Cb 0.44 -1.96 -0.01 0.00 -0.02 0.00 0.00 33.50 31.95 1nuu n PRO 145 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1nuu n ASN 146 N 3.17 -5.36 -0.05 2.55 3.02 -1.26 -4.88 115.26 112.45 1nuu n ASN 146 Ca 0.21 0.07 -0.19 0.00 -0.03 0.00 0.00 54.58 54.63 1nuu n ASN 146 Cb 0.15 -3.09 -0.13 0.00 -0.61 0.00 0.00 39.78 36.10 1nuu n ASN 146 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1nuu h LEU 147 N 0.00 0.14 -8.29 3.41 5.85 -1.54 -3.46 115.31 111.43 1nuu h LEU 147 Ca -0.05 -0.78 -0.62 0.00 0.84 0.00 0.00 57.88 57.27 1nuu h LEU 147 Cb 0.85 -0.05 -0.32 0.00 0.37 0.00 0.00 40.66 41.51 1nuu h LEU 147 CO 0.08 1.39 -0.86 0.26 -0.34 0.00 0.00 178.44 178.97 1nuu s TRP 148 N -2.36 2.10 0.12 1.25 0.52 -1.26 -5.11 118.94 114.19 1nuu s TRP 148 Ca -0.22 -0.71 -0.30 0.00 0.02 0.00 0.00 56.10 54.88 1nuu s TRP 148 Cb 0.03 -1.41 -0.07 0.00 -1.15 0.00 0.00 33.47 30.87 1nuu s TRP 148 CO 0.69 -0.26 1.21 0.15 0.02 0.00 0.00 176.95 178.75 1nuu s LYS 149 N 0.16 4.45 0.32 4.98 1.02 -1.26 -4.90 119.74 124.52 1nuu s LYS 149 Ca -0.09 1.83 0.10 0.00 0.02 0.00 0.00 55.97 57.82 1nuu s LYS 149 Cb -0.14 -3.30 0.92 0.00 -0.52 0.00 0.00 37.83 34.79 1nuu s LYS 149 CO 0.05 -0.19 1.71 -0.44 -0.92 0.00 0.00 175.35 175.56 1nuu h ASP 150 N 6.16 0.61 0.37 2.83 3.32 -1.99 0.52 116.42 128.24 1nuu h ASP 150 Ca -0.43 0.15 -0.06 0.00 0.02 0.00 0.00 57.03 56.71 1nuu h ASP 150 Cb 1.21 0.07 -0.01 0.00 0.22 0.00 0.00 39.33 40.82 1nuu h ASP 150 CO 0.79 0.04 -0.29 0.00 -1.72 0.00 0.00 179.24 178.05 1nuu h ALA 151 N 1.76 1.40 0.12 3.45 0.00 -1.99 -1.19 119.26 122.81 1nuu h ALA 151 Ca 0.66 -0.27 -0.30 0.00 0.00 0.00 0.00 54.91 55.00 1nuu h ALA 151 Cb 1.32 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.09 1nuu h ALA 151 CO -0.51 0.37 -1.25 0.45 0.00 0.00 0.00 179.25 178.31 1nuu h HIS 152 N 0.00 0.99 -0.67 0.00 3.86 -0.40 -1.67 115.15 117.26 1nuu h HIS 152 Ca -0.00 -0.62 0.02 0.00 -1.16 0.00 0.00 60.37 58.60 1nuu h HIS 152 Cb 0.56 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.91 1nuu h HIS 152 CO 0.00 1.46 0.43 0.82 0.86 0.00 0.00 177.93 181.51 1nuu h ILE 153 N 0.27 1.13 -0.23 2.45 2.04 -0.81 0.11 117.51 122.46 1nuu h ILE 153 Ca -0.19 -0.30 -0.01 0.00 1.00 0.00 0.00 64.86 65.36 1nuu h ILE 153 Cb 1.92 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 38.18 1nuu h ILE 153 CO 0.24 0.16 0.10 -0.61 0.00 0.00 0.00 178.15 178.04 1nuu h GLN 154 N 0.87 0.35 -0.33 2.37 4.15 -1.20 -1.99 115.11 119.32 1nuu h GLN 154 Ca 0.26 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.53 1nuu h GLN 154 Cb -0.05 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.57 1nuu h GLN 154 CO -0.08 0.37 -0.17 1.49 -1.93 0.00 0.00 178.83 178.52 1nuu h GLU 155 N 0.24 0.60 -0.04 1.69 4.81 -0.93 0.20 114.58 121.15 1nuu h GLU 155 Ca 0.08 -0.20 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 1nuu h GLU 155 Cb 0.15 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.48 1nuu h GLU 155 CO -0.01 0.74 0.02 0.82 -0.73 0.00 0.00 179.01 179.86 1nuu h ILE 156 N 0.54 1.08 0.02 2.32 2.04 -0.56 -0.35 117.51 122.61 1nuu h ILE 156 Ca 0.09 -0.22 -0.22 0.00 1.00 0.00 0.00 64.86 65.52 1nuu h ILE 156 Cb 0.60 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.82 1nuu h ILE 156 CO 0.04 0.06 -0.95 -0.37 0.00 0.00 0.00 178.15 176.93 1nuu h VAL 157 N -0.02 1.48 0.07 1.67 -1.51 -1.25 0.16 116.25 116.86 1nuu h VAL 157 Ca 0.01 -2.69 -0.12 0.00 -1.23 0.00 0.00 66.70 62.68 1nuu h VAL 157 Cb 0.08 2.55 0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1nuu h VAL 157 CO -0.00 0.79 -0.54 -0.08 -1.23 0.00 0.00 177.57 176.50 1nuu h GLU 158 N 0.13 0.16 0.00 5.19 4.81 -0.92 -3.26 114.58 120.69 1nuu h GLU 158 Ca -0.06 -0.27 -0.05 0.00 -0.13 0.00 0.00 59.36 58.85 1nuu h GLU 158 Cb 1.61 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 31.08 1nuu h GLU 158 CO 0.15 1.13 -0.96 0.87 -0.73 0.00 0.00 179.01 179.47 1nuu h LYS 159 N -0.66 0.00 0.00 1.92 1.79 -1.23 -3.43 116.57 114.96 1nuu h LYS 159 Ca -0.11 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1nuu h LYS 159 Cb 1.37 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 32.02 1nuu h LYS 159 CO 0.07 0.10 -0.12 1.19 -1.08 0.00 0.00 179.45 179.61 1nuu n PHE 160 N -2.81 0.00 0.00 -1.35 3.01 -1.12 -4.88 117.46 110.31 1nuu n PHE 160 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1nuu n PHE 160 Cb 0.63 -0.06 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1nuu n PHE 160 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1nuu n GLY 161 N 3.15 3.37 3.04 1.37 0.00 0.56 -4.32 105.19 112.37 1nuu n GLY 161 Ca -0.02 -1.88 -0.22 0.00 0.00 0.00 0.00 46.02 43.90 1nuu n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuu s LEU 162 N 0.00 1.82 -0.17 0.99 1.43 -0.45 -0.94 118.68 121.35 1nuu s LEU 162 Ca 0.00 -0.23 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1nuu s LEU 162 Cb 0.00 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.59 1nuu s LEU 162 CO 0.00 0.09 -0.13 -0.69 0.23 0.00 0.00 176.35 175.85 1nuu s VAL 163 N 0.15 1.67 -0.14 -1.59 1.01 -0.08 -0.24 120.40 121.17 1nuu s VAL 163 Ca -0.03 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1nuu s VAL 163 Cb -0.09 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.65 1nuu s VAL 163 CO 0.01 0.36 -0.13 0.00 0.00 0.00 0.00 175.10 175.34 1nuu s VAL 165 N 0.59 5.42 0.73 0.00 1.01 -0.04 -0.35 120.40 127.77 1nuu s VAL 165 Ca -0.08 0.26 -0.16 0.00 0.00 0.00 0.00 61.98 62.01 1nuu s VAL 165 Cb -0.16 -3.47 0.04 0.00 0.00 0.00 0.00 36.38 32.79 1nuu s VAL 165 CO 0.03 0.51 1.21 0.61 0.00 0.00 0.00 175.10 177.47 1nuu n GLY 166 N 2.83 0.18 3.06 4.51 0.00 0.09 -0.60 105.19 115.26 1nuu n GLY 166 Ca -0.17 -0.33 -0.13 0.00 0.00 0.00 0.00 46.02 45.39 1nuu n GLY 166 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1nuu s ARG 167 N -3.72 0.21 0.18 1.61 0.52 -1.26 -4.72 118.95 111.77 1nuu s ARG 167 Ca 0.77 0.28 -0.33 0.00 -0.52 0.00 0.00 55.73 55.94 1nuu s ARG 167 Cb -0.33 0.08 -0.15 0.00 0.52 0.00 0.00 34.95 35.07 1nuu s ARG 167 CO 0.46 -0.04 1.34 0.28 0.02 0.00 0.00 175.30 177.36 1nuu n VAL 168 N 3.12 0.61 -0.70 3.52 0.31 -1.26 -1.71 118.33 122.22 1nuu n VAL 168 Ca -0.14 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 1nuu n VAL 168 Cb 0.58 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.36 1nuu n VAL 168 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1nuu n SER 169 N 2.37 0.00 -4.48 4.52 7.64 -1.26 -5.04 113.62 117.36 1nuu n SER 169 Ca 0.15 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.72 1nuu n SER 169 Cb 0.26 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.34 1nuu n SER 169 CO 0.00 0.00 0.00 -1.00 -3.01 0.00 0.00 175.04 171.03 1nuu s HIS 170 N -3.41 2.60 -0.58 1.43 4.02 -0.70 -5.08 115.29 113.58 1nuu s HIS 170 Ca 0.00 -0.23 0.05 0.00 1.02 0.00 0.00 55.06 55.90 1nuu s HIS 170 Cb 0.00 -1.46 0.18 0.00 -1.02 0.00 0.00 32.58 30.28 1nuu s HIS 170 CO 0.00 0.29 0.48 -3.47 1.02 0.00 0.00 174.74 173.06 1nuu n ASP 171 N 1.40 1.79 -0.33 1.40 2.03 -1.26 -4.74 116.55 116.85 1nuu n ASP 171 Ca -0.16 -2.93 0.18 0.00 0.52 0.00 0.00 54.79 52.40 1nuu n ASP 171 Cb 0.52 -0.67 0.38 0.00 -0.72 0.00 0.00 41.12 40.63 1nuu n ASP 171 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1nuu h PRO 172 N 5.23 0.40 -0.71 -0.67 0.11 -1.96 -0.13 132.00 134.27 1nuu h PRO 172 Ca 0.19 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 66.32 1nuu h PRO 172 Cb 0.80 -0.09 -0.05 0.00 0.11 0.00 0.00 31.00 31.77 1nuu h PRO 172 CO 0.60 0.27 0.43 0.87 -0.21 0.00 0.00 178.00 179.96 1nuu h LYS 173 N 0.42 0.79 -0.27 1.05 1.57 -1.99 -0.38 116.57 117.75 1nuu h LYS 173 Ca 0.64 -0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 59.21 1nuu h LYS 173 Cb 1.30 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 33.43 1nuu h LYS 173 CO -0.55 0.53 -0.48 0.78 -0.57 0.00 0.00 179.45 179.16 1nuu h GLY 174 N 0.82 0.79 0.82 3.86 0.00 -1.49 -1.35 103.07 106.53 1nuu h GLY 174 Ca 0.30 -0.87 0.04 0.00 0.00 0.00 0.00 47.33 46.80 1nuu h GLY 174 CO -0.14 0.78 0.38 -0.97 0.00 0.00 0.00 176.54 176.58 1nuu h TYR 175 N 0.57 0.71 -0.19 5.60 0.99 -0.71 -0.48 116.97 123.46 1nuu h TYR 175 Ca 0.03 0.02 -0.02 0.00 2.00 0.00 0.00 58.73 60.76 1nuu h TYR 175 Cb 1.04 -0.23 -0.01 0.00 1.00 0.00 0.00 36.73 38.54 1nuu h TYR 175 CO 0.05 0.39 0.05 0.82 -0.00 0.00 0.00 178.16 179.47 1nuu h ILE 176 N 0.73 1.20 -0.49 -2.88 2.04 -0.93 -2.80 117.51 114.39 1nuu h ILE 176 Ca 0.26 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.47 1nuu h ILE 176 Cb 0.07 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.38 1nuu h ILE 176 CO -0.12 0.20 0.25 0.00 0.00 0.00 0.00 178.15 178.47 1nuu h ALA 177 N 0.86 1.51 -0.00 1.87 0.00 -0.71 -2.87 119.26 119.92 1nuu h ALA 177 Ca 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1nuu h ALA 177 Cb 0.26 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1nuu h ALA 177 CO -0.00 0.40 -0.11 0.39 0.00 0.00 0.00 179.25 179.93 1nuu n GLU 178 N -4.39 0.68 -3.84 0.00 1.02 -0.24 -4.72 120.64 109.15 1nuu n GLU 178 Ca 0.04 -0.23 -0.36 0.00 -0.02 0.00 0.00 57.16 56.59 1nuu n GLU 178 Cb 0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.91 1nuu n GLU 178 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1nuu s SER 179 N -2.48 4.77 0.35 1.62 0.15 -1.06 -5.00 113.70 112.05 1nuu s SER 179 Ca 0.29 -0.65 0.06 0.00 0.70 0.00 0.00 55.95 56.35 1nuu s SER 179 Cb 0.20 -1.80 0.73 0.00 -1.71 0.00 0.00 66.02 63.44 1nuu s SER 179 CO 0.48 -0.13 1.92 -0.65 1.20 0.00 0.00 173.24 176.06 1nuu h PRO 180 N 8.16 0.75 -0.22 5.44 0.11 -1.84 0.36 132.00 144.76 1nuu h PRO 180 Ca -0.34 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 65.68 1nuu h PRO 180 Cb 1.13 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.07 1nuu h PRO 180 CO 0.59 0.50 -0.04 0.82 -0.21 0.00 0.00 178.00 179.66 1nuu h ILE 181 N 0.78 1.28 -0.51 4.15 2.04 -1.94 -1.84 117.51 121.46 1nuu h ILE 181 Ca 0.37 -1.02 -0.07 0.00 1.00 0.00 0.00 64.86 65.14 1nuu h ILE 181 Cb 0.40 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 37.97 1nuu h ILE 181 CO -0.14 0.31 0.06 -0.07 0.00 0.00 0.00 178.15 178.31 1nuu h LEU 182 N 0.15 0.83 -0.68 1.44 3.38 -1.72 -2.77 115.31 115.94 1nuu h LEU 182 Ca 0.06 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.78 1nuu h LEU 182 Cb 0.49 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.98 1nuu h LEU 182 CO 0.02 0.89 0.43 -0.09 0.09 0.00 0.00 178.44 179.78 1nuu h ARG 183 N 0.73 0.81 0.00 1.13 2.43 -0.85 0.11 114.38 118.74 1nuu h ARG 183 Ca 0.15 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.23 1nuu h ARG 183 Cb 0.43 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 1nuu h ARG 183 CO 0.01 0.54 -0.19 1.98 -1.51 0.00 0.00 179.97 180.80 1nuu h MET 184 N 0.83 0.00 -0.13 0.20 4.05 -1.19 -2.95 114.93 115.74 1nuu h MET 184 Ca 0.28 0.00 -0.05 0.00 -0.28 0.00 0.00 59.70 59.65 1nuu h MET 184 Cb 0.02 0.00 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1nuu h MET 184 CO -0.11 0.19 -0.18 0.72 0.23 0.00 0.00 176.91 177.76 1nuu n HIS 185 N -4.16 0.43 0.33 1.39 8.25 -0.76 -4.78 115.22 115.92 1nuu n HIS 185 Ca -0.02 -1.30 0.21 0.00 -0.26 0.00 0.00 57.72 56.35 1nuu n HIS 185 Cb 0.26 -0.30 1.13 0.00 1.12 0.00 0.00 29.99 32.20 1nuu n HIS 185 CO 0.00 0.00 0.00 -0.56 0.64 0.00 0.00 176.34 176.42 1nuu h GLN 186 N 0.85 0.00 0.00 -0.41 3.07 -0.63 0.81 115.11 118.80 1nuu h GLN 186 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.79 1nuu h GLN 186 Cb 1.24 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.80 1nuu h GLN 186 CO 0.14 0.00 -0.03 1.12 0.09 0.00 0.00 178.83 180.14 1nuu h HIS 187 N 0.00 0.00 -0.67 0.06 2.07 -1.86 -1.82 115.15 112.94 1nuu h HIS 187 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1nuu h HIS 187 Cb 0.11 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.09 1nuu h HIS 187 CO 0.00 0.03 0.00 0.09 -3.07 0.00 0.00 177.93 174.98 1nuu n ASN 188 N -3.16 4.12 -4.18 3.10 5.03 0.28 -4.82 115.26 115.63 1nuu n ASN 188 Ca -0.00 -2.20 -0.33 0.00 0.87 0.00 0.00 54.58 52.92 1nuu n ASN 188 Cb 0.28 -0.51 -0.16 0.00 -1.02 0.00 0.00 39.78 38.37 1nuu n ASN 188 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1nuu s ILE 189 N -1.42 2.41 -0.28 2.41 1.01 -0.68 -1.35 121.20 123.31 1nuu s ILE 189 Ca 0.48 -0.83 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1nuu s ILE 189 Cb 0.28 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.72 1nuu s ILE 189 CO 0.28 0.51 0.03 -1.00 0.00 0.00 0.00 174.94 174.77 1nuu s HIS 190 N 1.22 3.11 -0.31 3.97 3.76 0.67 -4.98 115.29 122.74 1nuu s HIS 190 Ca 0.03 -1.11 -0.18 0.00 -0.15 0.00 0.00 55.06 53.65 1nuu s HIS 190 Cb -0.14 -2.19 -0.01 0.00 1.11 0.00 0.00 32.58 31.35 1nuu s HIS 190 CO -0.08 -0.61 0.53 -0.51 -0.85 0.00 0.00 174.74 173.22 1nuu s LEU 191 N 1.46 4.21 0.20 0.89 1.43 -1.26 -0.52 118.68 125.08 1nuu s LEU 191 Ca 0.02 0.22 0.11 0.00 -1.03 0.00 0.00 54.13 53.45 1nuu s LEU 191 Cb -0.17 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.37 1nuu s LEU 191 CO 0.00 -0.42 -0.18 0.00 0.23 0.00 0.00 176.35 175.99 1nuu s ALA 192 N 2.40 2.73 -0.17 4.21 0.00 0.53 -4.97 121.76 126.49 1nuu s ALA 192 Ca 0.20 -1.62 -0.31 0.00 0.00 0.00 0.00 51.96 50.23 1nuu s ALA 192 Cb -0.15 -0.47 0.14 0.00 0.00 0.00 0.00 23.12 22.63 1nuu s ALA 192 CO 0.12 0.41 1.09 -1.59 0.00 0.00 0.00 175.76 175.79 1nuu s LYS 193 N -2.89 0.47 0.09 0.00 0.00 -1.26 -0.73 119.74 115.42 1nuu s LYS 193 Ca 0.24 0.00 0.09 0.00 0.00 0.00 0.00 55.97 56.29 1nuu s LYS 193 Cb -0.08 0.22 -0.03 0.00 0.00 0.00 0.00 37.83 37.94 1nuu s LYS 193 CO 0.13 -0.17 -0.22 -1.83 0.00 0.00 0.00 175.35 173.26 1nuu s GLU 194 N -1.66 1.24 0.00 1.78 -1.05 -1.26 -5.00 118.70 112.76 1nuu s GLU 194 Ca 0.04 -1.15 0.00 0.00 -0.15 0.00 0.00 54.97 53.70 1nuu s GLU 194 Cb -0.01 -1.52 0.00 0.00 -0.44 0.00 0.00 34.13 32.17 1nuu s GLU 194 CO -0.03 0.36 0.45 -2.30 0.95 0.00 0.00 175.26 174.69 1nuu n PRO 195 N 1.22 0.25 -4.44 -4.83 -0.02 -1.26 -4.76 135.00 121.16 1nuu n PRO 195 Ca -0.19 0.00 -0.24 0.00 -2.02 0.00 0.00 63.50 61.05 1nuu n PRO 195 Cb 0.53 -1.37 -0.11 0.00 -0.02 0.00 0.00 33.50 32.53 1nuu n PRO 195 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1nuu s VAL 196 N 1.33 2.36 -0.25 -1.45 1.01 -1.26 -5.11 120.40 117.02 1nuu s VAL 196 Ca 0.00 -2.26 -0.02 0.00 0.00 0.00 0.00 61.98 59.70 1nuu s VAL 196 Cb 0.00 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.20 1nuu s VAL 196 CO 0.00 -0.33 -0.05 -1.58 0.00 0.00 0.00 175.10 173.14 1nuu s GLN 197 N -3.24 2.82 -0.44 2.72 0.74 -1.26 -5.02 119.66 115.99 1nuu s GLN 197 Ca 0.26 -0.99 0.05 0.00 0.05 0.00 0.00 55.36 54.73 1nuu s GLN 197 Cb -0.06 -3.02 0.18 0.00 1.10 0.00 0.00 33.01 31.21 1nuu s GLN 197 CO 0.13 -0.42 0.45 -0.80 -0.55 0.00 0.00 175.29 174.09 1nuu s ASN 198 N 1.33 0.62 -0.74 6.67 0.01 -1.26 -5.00 114.94 116.58 1nuu s ASN 198 Ca -0.00 -2.70 0.02 0.00 -0.71 0.00 0.00 52.86 49.47 1nuu s ASN 198 Cb -0.17 0.20 0.35 0.00 0.41 0.00 0.00 41.25 42.05 1nuu s ASN 198 CO -0.04 -0.14 1.45 -0.62 -1.51 0.00 0.00 177.10 176.25 1nuu n GLU 199 N 2.88 3.83 -2.78 -0.60 -0.58 -1.26 -4.98 120.64 117.15 1nuu n GLU 199 Ca 0.27 -4.47 -0.42 0.00 -0.42 0.00 0.00 57.16 52.11 1nuu n GLU 199 Cb 0.50 -2.32 -0.03 0.00 -0.57 0.00 0.00 31.44 29.02 1nuu n GLU 199 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 1nuu s ILE 200 N -4.78 4.77 0.06 -3.67 -4.36 -1.26 -5.03 121.20 106.93 1nuu s ILE 200 Ca 0.46 1.79 -0.07 0.00 -0.26 0.00 0.00 60.65 62.57 1nuu s ILE 200 Cb 0.31 -4.21 -0.05 0.00 1.25 0.00 0.00 42.46 39.76 1nuu s ILE 200 CO -0.20 -0.11 0.33 -0.94 0.24 0.00 0.00 174.94 174.25 1nuu s SER 201 N 1.26 6.53 0.46 4.36 1.04 -1.26 -4.94 113.70 121.14 1nuu s SER 201 Ca 0.39 0.62 0.18 0.00 0.48 0.00 0.00 55.95 57.63 1nuu s SER 201 Cb -0.15 -2.11 1.10 0.00 0.10 0.00 0.00 66.02 64.96 1nuu s SER 201 CO 0.07 0.18 1.99 0.00 0.98 0.00 0.00 173.24 176.46 1nuu h ALA 202 N 3.62 1.50 -0.63 5.32 0.00 -1.92 -1.55 119.26 125.59 1nuu h ALA 202 Ca -0.49 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.24 1nuu h ALA 202 Cb 1.19 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.92 1nuu h ALA 202 CO 0.68 0.25 0.36 1.15 0.00 0.00 0.00 179.25 181.69 1nuu h THR 203 N 0.00 1.19 -0.57 0.00 2.02 -1.93 0.03 112.91 113.66 1nuu h THR 203 Ca -0.00 -0.46 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1nuu h THR 203 Cb 0.39 0.36 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 1nuu h THR 203 CO 0.03 0.21 0.14 0.22 0.37 0.00 0.00 175.52 176.48 1nuu h TYR 204 N 0.85 0.95 -0.23 3.16 3.20 -1.71 -1.91 116.97 121.28 1nuu h TYR 204 Ca 0.22 -0.11 0.05 0.00 3.14 0.00 0.00 58.73 62.03 1nuu h TYR 204 Cb 0.01 -0.27 -0.05 0.00 1.54 0.00 0.00 36.73 37.96 1nuu h TYR 204 CO -0.01 0.82 -0.12 0.82 -1.64 0.00 0.00 178.16 178.03 1nuu h ILE 205 N 0.81 0.64 -0.88 1.81 1.08 -0.60 0.10 117.51 120.47 1nuu h ILE 205 Ca 0.18 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.64 1nuu h ILE 205 Cb 0.35 0.64 -0.04 0.00 -3.07 0.00 0.00 36.82 34.69 1nuu h ILE 205 CO 0.00 0.00 0.52 0.03 -0.69 0.00 0.00 178.15 178.01 1nuu h ARG 206 N -0.09 1.20 -0.32 2.37 3.08 -0.83 -0.69 114.38 119.10 1nuu h ARG 206 Ca 0.12 -0.11 -0.06 0.00 0.07 0.00 0.00 59.98 60.00 1nuu h ARG 206 Cb 0.28 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1nuu h ARG 206 CO -0.29 0.84 -0.05 -0.09 -1.07 0.00 0.00 179.97 179.32 1nuu h ARG 207 N 1.21 0.59 -0.20 0.04 2.43 -0.65 -0.43 114.38 117.38 1nuu h ARG 207 Ca 0.31 -0.21 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1nuu h ARG 207 Cb -0.04 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.46 1nuu h ARG 207 CO -0.06 0.75 0.13 0.00 -1.51 0.00 0.00 179.97 179.29 1nuu h ALA 208 N 0.81 0.25 -0.89 2.80 0.00 -0.56 -1.50 119.26 120.18 1nuu h ALA 208 Ca 0.08 -0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1nuu h ALA 208 Cb 0.52 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1nuu h ALA 208 CO 0.03 -0.26 0.57 -0.07 0.00 0.00 0.00 179.25 179.51 1nuu h LEU 209 N 0.27 0.94 -1.88 0.00 3.38 -0.97 -0.71 115.31 116.34 1nuu h LEU 209 Ca 0.07 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.01 1nuu h LEU 209 Cb -0.02 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.51 1nuu h LEU 209 CO -0.02 0.64 -0.13 1.23 0.09 0.00 0.00 178.44 180.26 1nuu h GLY 210 N 1.10 0.00 -1.48 0.83 0.00 -0.45 -2.01 103.07 101.06 1nuu h GLY 210 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 1nuu h GLY 210 CO -0.12 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.36 1nuu n GLN 211 N -3.88 2.05 -1.00 4.80 6.02 -0.39 -4.32 117.38 120.65 1nuu n GLN 211 Ca -0.02 -1.59 -0.00 0.00 -0.01 0.00 0.00 57.00 55.38 1nuu n GLN 211 Cb 0.22 -1.42 -0.00 0.00 1.02 0.00 0.00 30.24 30.06 1nuu n GLN 211 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nuu n GLY 212 N 1.27 0.45 3.91 1.08 0.00 -0.76 -5.02 105.19 106.12 1nuu n GLY 212 Ca 0.17 -0.03 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1nuu n GLY 212 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1nuu s GLN 213 N -0.29 2.95 0.28 1.61 -0.21 -0.49 -5.01 119.66 118.51 1nuu s GLN 213 Ca 0.00 0.08 -0.21 0.00 0.02 0.00 0.00 55.36 55.26 1nuu s GLN 213 Cb 0.00 -2.24 -0.09 0.00 1.00 0.00 0.00 33.01 31.68 1nuu s GLN 213 CO 0.00 -0.73 0.80 0.45 -2.12 0.00 0.00 175.29 173.70 1nuu s SER 214 N -4.30 7.07 -0.07 5.90 0.15 -1.26 -4.35 113.70 116.85 1nuu s SER 214 Ca 0.54 1.53 0.10 0.00 0.70 0.00 0.00 55.95 58.82 1nuu s SER 214 Cb -0.11 -2.46 0.15 0.00 -1.71 0.00 0.00 66.02 61.89 1nuu s SER 214 CO 0.46 -0.07 1.03 1.33 1.20 0.00 0.00 173.24 177.20 1nuu n VAL 215 N 0.37 1.13 -1.86 4.45 0.24 -1.26 -4.93 118.33 116.47 1nuu n VAL 215 Ca 0.01 -1.32 -0.40 0.00 -2.04 0.00 0.00 64.34 60.58 1nuu n VAL 215 Cb 0.51 0.17 0.01 0.00 -1.47 0.00 0.00 33.84 33.06 1nuu n VAL 215 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1nuu s LYS 216 N -1.63 3.91 0.00 7.34 2.20 -1.26 -1.52 119.74 128.78 1nuu s LYS 216 Ca 0.16 2.42 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 1nuu s LYS 216 Cb 0.14 -2.80 0.00 0.00 -1.51 0.00 0.00 37.83 33.66 1nuu s LYS 216 CO 0.02 -0.63 0.00 0.66 -0.36 0.00 0.00 175.35 175.03 1nuu n TYR 217 N 0.14 0.00 -0.07 4.03 4.02 -1.26 -4.78 117.16 119.23 1nuu n TYR 217 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.84 1nuu n TYR 217 Cb 0.41 -0.30 -0.11 0.00 -0.02 0.00 0.00 39.34 39.32 1nuu n TYR 217 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1nuu n LEU 218 N 0.00 0.47 -4.18 7.72 4.77 -0.58 -4.99 117.00 120.21 1nuu n LEU 218 Ca 0.00 -0.02 -0.13 0.00 -0.03 0.00 0.00 56.01 55.83 1nuu n LEU 218 Cb 0.00 0.19 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1nuu n LEU 218 CO 0.00 0.42 -0.40 0.27 -1.33 0.00 0.00 177.39 176.35 1nuu s ILE 219 N -2.34 0.89 0.52 -0.08 -4.36 -1.13 -1.10 121.20 113.59 1nuu s ILE 219 Ca -0.10 -1.79 -0.22 0.00 -0.26 0.00 0.00 60.65 58.28 1nuu s ILE 219 Cb 0.05 -1.53 -0.06 0.00 1.25 0.00 0.00 42.46 42.17 1nuu s ILE 219 CO 0.55 -0.69 1.27 -2.65 0.24 0.00 0.00 174.94 173.67 1nuu n PRO 220 N 0.26 1.64 -0.31 0.37 -0.02 -1.26 -4.79 135.00 130.89 1nuu n PRO 220 Ca -0.14 0.60 0.09 0.00 -2.02 0.00 0.00 63.50 62.03 1nuu n PRO 220 Cb 0.59 -2.46 0.30 0.00 -0.02 0.00 0.00 33.50 31.91 1nuu n PRO 220 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1nuu h ASP 221 N 1.47 0.80 -0.18 2.55 3.32 -1.98 -1.02 116.42 121.38 1nuu h ASP 221 Ca -0.50 0.04 -0.06 0.00 0.02 0.00 0.00 57.03 56.54 1nuu h ASP 221 Cb 1.31 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.72 1nuu h ASP 221 CO 0.57 0.43 -0.05 0.00 -1.72 0.00 0.00 179.24 178.47 1nuu h ALA 222 N 1.56 1.34 -0.22 3.45 0.00 -1.90 -2.12 119.26 121.39 1nuu h ALA 222 Ca 0.46 -0.22 -0.12 0.00 0.00 0.00 0.00 54.91 55.03 1nuu h ALA 222 Cb 0.55 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 1nuu h ALA 222 CO -0.22 0.45 -0.32 0.28 0.00 0.00 0.00 179.25 179.43 1nuu h VAL 223 N 0.47 1.32 -0.91 0.00 2.07 -1.51 -2.51 116.25 115.18 1nuu h VAL 223 Ca 0.10 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.11 1nuu h VAL 223 Cb 0.38 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 31.89 1nuu h VAL 223 CO 0.02 0.48 0.59 0.40 0.02 0.00 0.00 177.57 179.08 1nuu h ILE 224 N 0.29 1.18 -0.05 4.57 2.04 -1.13 -0.57 117.51 123.84 1nuu h ILE 224 Ca 0.02 -0.40 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 1nuu h ILE 224 Cb 0.91 -0.10 -0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1nuu h ILE 224 CO 0.08 0.21 0.03 0.74 0.00 0.00 0.00 178.15 179.21 1nuu h THR 225 N 1.17 1.04 -0.44 -0.27 2.02 -1.33 -0.30 112.91 114.80 1nuu h THR 225 Ca 0.35 -0.09 0.02 0.00 0.77 0.00 0.00 66.41 67.46 1nuu h THR 225 Cb -0.04 1.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 1nuu h THR 225 CO -0.10 0.03 0.27 0.22 0.37 0.00 0.00 175.52 176.30 1nuu h TYR 226 N 0.05 0.50 -0.57 3.16 3.20 -0.99 0.84 116.97 123.17 1nuu h TYR 226 Ca 0.02 0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.92 1nuu h TYR 226 Cb 0.02 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 38.10 1nuu h TYR 226 CO -0.07 0.29 0.36 0.82 -1.64 0.00 0.00 178.16 177.93 1nuu h ILE 227 N 0.54 1.11 -0.08 1.81 2.04 -0.84 0.05 117.51 122.14 1nuu h ILE 227 Ca 0.17 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 1nuu h ILE 227 Cb -0.00 0.32 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1nuu h ILE 227 CO -0.07 0.13 0.02 0.50 0.00 0.00 0.00 178.15 178.73 1nuu h LYS 228 N 0.73 0.13 -0.14 2.37 3.64 -0.69 -0.70 116.57 121.91 1nuu h LYS 228 Ca 0.22 -0.03 -0.02 0.00 -1.27 0.00 0.00 60.65 59.54 1nuu h LYS 228 Cb -0.04 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.75 1nuu h LYS 228 CO -0.07 0.32 -0.01 -0.44 -2.27 0.00 0.00 179.45 176.98 1nuu h ASP 229 N -0.08 0.18 -0.50 4.20 3.32 -0.54 -2.78 116.42 120.22 1nuu h ASP 229 Ca 0.03 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 1nuu h ASP 229 Cb 0.25 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.75 1nuu h ASP 229 CO 0.00 0.23 0.00 1.41 -1.72 0.00 0.00 179.24 179.16 1nuu n HIS 230 N -4.40 0.66 -3.75 4.55 8.25 -0.02 -4.98 115.22 115.53 1nuu n HIS 230 Ca -0.01 -0.45 -0.26 0.00 -0.26 0.00 0.00 57.72 56.74 1nuu n HIS 230 Cb 0.17 -0.01 0.05 0.00 1.12 0.00 0.00 29.99 31.31 1nuu n HIS 230 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nuu n GLY 231 N 1.09 -0.46 3.89 -1.41 0.00 -0.38 -4.97 105.19 102.96 1nuu n GLY 231 Ca 0.18 0.19 -0.29 0.00 0.00 0.00 0.00 46.02 46.10 1nuu n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1nuu s LEU 232 N -7.09 3.65 -1.46 0.99 1.43 -0.56 -4.32 118.68 111.32 1nuu s LEU 232 Ca 0.45 1.05 -0.09 0.00 -1.03 0.00 0.00 54.13 54.51 1nuu s LEU 232 Cb -0.22 -3.99 0.04 0.00 0.03 0.00 0.00 46.19 42.05 1nuu s LEU 232 CO 0.79 -0.55 0.87 -1.22 0.23 0.00 0.00 176.35 176.47 1nuu n TYR 233 N -2.00 -2.32 -2.66 0.29 4.02 -1.26 -4.88 117.16 108.36 1nuu n TYR 233 Ca 0.02 0.77 -0.30 0.00 -0.01 0.00 0.00 57.90 58.38 1nuu n TYR 233 Cb 0.55 -4.32 -0.02 0.00 -0.02 0.00 0.00 39.34 35.53 1nuu n TYR 233 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1nuu s THR 234 N -3.22 4.80 -1.09 -0.72 -4.23 -1.26 -3.37 115.64 106.55 1nuu s THR 234 Ca 0.50 0.56 0.00 0.00 -1.18 0.00 0.00 61.69 61.57 1nuu s THR 234 Cb -0.24 -3.79 0.00 0.00 1.34 0.00 0.00 72.50 69.82 1nuu s THR 234 CO 0.62 -0.69 0.27 0.29 -0.54 0.00 0.00 174.62 174.57