#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqy s HIS 2 N 0.00 -0.69 0.03 1.12 0.09 -1.26 -5.18 115.29 109.41 2rqy s HIS 2 Ca 0.00 0.54 -0.28 0.00 -0.00 0.00 0.00 55.06 55.32 2rqy s HIS 2 Cb 0.00 0.17 0.10 0.00 -0.00 0.00 0.00 32.58 32.85 2rqy s HIS 2 CO 0.00 -0.39 1.21 -3.38 -0.00 0.00 0.00 174.74 172.18 2rqy s HIS 3 N 2.94 -0.04 -0.03 1.40 0.00 -1.26 -5.19 115.29 113.11 2rqy s HIS 3 Ca 0.14 -0.13 -0.30 0.00 -3.00 0.00 0.00 55.06 51.77 2rqy s HIS 3 Cb -0.07 0.58 0.11 0.00 -4.00 0.00 0.00 32.58 29.20 2rqy s HIS 3 CO -0.18 -0.42 0.97 -1.58 -1.00 0.00 0.00 174.74 172.52 2rqy s HIS 4 N -2.49 -0.28 0.19 0.38 5.65 -1.26 -5.19 115.29 112.29 2rqy s HIS 4 Ca 0.17 0.15 0.00 0.00 0.25 0.00 0.00 55.06 55.63 2rqy s HIS 4 Cb 0.02 0.54 -0.00 0.00 -1.18 0.00 0.00 32.58 31.96 2rqy s HIS 4 CO -0.02 -0.49 0.24 0.72 -0.65 0.00 0.00 174.74 174.54 2rqy n HIS 5 N -0.24 -0.84 -3.77 3.88 -0.00 -1.26 -5.19 115.22 107.81 2rqy n HIS 5 Ca -0.07 -1.34 -0.12 0.00 -0.00 0.00 0.00 57.72 56.20 2rqy n HIS 5 Cb 0.61 0.26 -0.08 0.00 -0.00 0.00 0.00 29.99 30.79 2rqy n HIS 5 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2rqy s HIS 6 N -3.57 -0.09 0.12 4.41 0.09 -1.26 -5.18 115.29 109.82 2rqy s HIS 6 Ca 0.17 -0.04 -0.14 0.00 -0.00 0.00 0.00 55.06 55.05 2rqy s HIS 6 Cb -0.00 0.08 0.02 0.00 -0.00 0.00 0.00 32.58 32.68 2rqy s HIS 6 CO 0.12 -0.48 0.35 -1.01 -0.00 0.00 0.00 174.74 173.72 2rqy s HIS 7 N -2.45 -0.09 0.34 1.40 4.02 -1.26 -5.18 115.29 112.07 2rqy s HIS 7 Ca -0.06 -0.26 -0.08 0.00 1.02 0.00 0.00 55.06 55.69 2rqy s HIS 7 Cb -0.01 0.18 0.02 0.00 -1.02 0.00 0.00 32.58 31.74 2rqy s HIS 7 CO -0.03 -0.68 0.56 0.96 1.02 0.00 0.00 174.74 176.57 2rqy s ILE 8 N -3.83 0.00 0.01 0.60 -4.36 -1.26 -5.14 121.20 107.22 2rqy s ILE 8 Ca 0.04 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.02 2rqy s ILE 8 Cb 0.02 -2.63 0.00 0.00 1.25 0.00 0.00 42.46 41.10 2rqy s ILE 8 CO -0.11 0.00 0.00 1.21 0.24 0.00 0.00 174.94 176.28 2rqy n GLU 9 N -0.53 -0.08 -1.76 0.37 4.07 -1.26 -5.02 120.64 116.43 2rqy n GLU 9 Ca -0.02 0.05 -0.01 0.00 -0.06 0.00 0.00 57.16 57.13 2rqy n GLU 9 Cb 0.61 -0.10 0.00 0.00 -0.06 0.00 0.00 31.44 31.89 2rqy n GLU 9 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2rqy n GLY 10 N -0.13 -0.67 3.46 8.31 0.00 -1.26 -4.33 105.19 110.58 2rqy n GLY 10 Ca 0.00 0.05 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 2rqy n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2rqy n ARG 11 N -0.74 -7.36 -0.07 1.61 1.74 -1.26 -4.94 116.66 105.64 2rqy n ARG 11 Ca 0.01 0.81 -0.07 0.00 -0.77 0.00 0.00 57.85 57.84 2rqy n ARG 11 Cb 0.26 -5.77 -0.04 0.00 -1.02 0.00 0.00 32.46 25.89 2rqy n ARG 11 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2rqy h HIS 12 N -2.47 0.00 -1.04 -1.55 2.76 -1.97 -3.37 115.15 107.51 2rqy h HIS 12 Ca -0.55 0.00 -0.27 0.00 -2.20 0.00 0.00 60.37 57.35 2rqy h HIS 12 Cb 1.36 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.31 2rqy h HIS 12 CO 0.49 0.33 0.83 -1.64 -1.30 0.00 0.00 177.93 176.64 2rqy s MET 13 N -2.03 2.08 -0.25 5.26 -1.94 -1.26 -4.00 119.30 117.15 2rqy s MET 13 Ca -0.13 0.62 -0.04 0.00 -1.71 0.00 0.00 55.69 54.43 2rqy s MET 13 Cb 0.01 -4.72 0.02 0.00 2.01 0.00 0.00 34.83 32.15 2rqy s MET 13 CO 0.25 -3.64 0.09 1.28 -0.01 0.00 0.00 175.02 172.99 2rqy n LEU 14 N 16.07 -7.22 -4.60 -0.03 4.77 -1.26 -4.94 117.00 119.79 2rqy n LEU 14 Ca 0.38 1.71 -0.31 0.00 -0.03 0.00 0.00 56.01 57.77 2rqy n LEU 14 Cb 0.49 -3.26 0.16 0.00 -2.33 0.00 0.00 43.42 38.48 2rqy n LEU 14 CO 0.63 -3.48 0.48 0.54 -1.33 0.00 0.00 177.39 174.23 2rqy n ARG 15 N 1.11 -0.54 -1.26 3.23 3.00 -1.26 -4.98 116.66 115.96 2rqy n ARG 15 Ca -0.15 -0.10 -0.31 0.00 -0.01 0.00 0.00 57.85 57.28 2rqy n ARG 15 Cb 0.25 -2.24 0.09 0.00 0.00 0.00 0.00 32.46 30.56 2rqy n ARG 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2rqy s PRO 16 N -4.38 2.22 -0.67 5.56 0.04 -1.26 -4.96 135.00 131.55 2rqy s PRO 16 Ca 0.65 1.16 -0.25 0.00 0.04 0.00 0.00 61.00 62.60 2rqy s PRO 16 Cb -0.23 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2rqy s PRO 16 CO 0.61 -1.66 1.08 0.20 0.04 0.00 0.00 177.00 177.26 2rqy s GLY 17 N -3.40 1.19 -0.00 0.56 0.00 -1.26 -4.68 107.32 99.73 2rqy s GLY 17 Ca 0.61 -1.54 -0.07 0.00 0.00 0.00 0.00 44.72 43.71 2rqy s GLY 17 CO 0.56 2.29 0.33 1.34 0.00 0.00 0.00 173.10 177.62 2rqy n ASP 18 N 8.29 -0.33 0.00 1.64 -0.08 -0.96 -4.77 116.55 120.34 2rqy n ASP 18 Ca -0.00 -1.08 0.08 0.00 -1.51 0.00 0.00 54.79 52.28 2rqy n ASP 18 Cb 0.47 0.51 0.36 0.00 2.34 0.00 0.00 41.12 44.80 2rqy n ASP 18 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2rqy h GLU 20 N 0.00 0.93 0.00 0.00 5.08 -1.89 0.24 114.58 118.94 2rqy h GLU 20 Ca 0.00 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2rqy h GLU 20 Cb 0.29 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.33 2rqy h GLU 20 CO 0.00 0.61 0.00 -0.39 -1.00 0.00 0.00 179.01 178.23 2rqy h VAL 21 N 0.95 0.00 -3.38 3.13 -1.51 -1.82 -3.41 116.25 110.21 2rqy h VAL 21 Ca 0.47 -0.10 -0.55 0.00 -1.23 0.00 0.00 66.70 65.30 2rqy h VAL 21 Cb 0.49 0.92 -0.03 0.00 -2.13 0.00 0.00 31.29 30.53 2rqy h VAL 21 CO -0.24 0.00 -0.14 0.00 -1.23 0.00 0.00 177.57 175.97 2rqy n ILE 23 N 0.04 -0.67 -0.02 0.00 5.41 -1.26 -4.92 119.36 117.94 2rqy n ILE 23 Ca -0.01 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.73 2rqy n ILE 23 Cb 0.52 -2.41 -0.00 0.00 -0.71 0.00 0.00 39.64 37.04 2rqy n ILE 23 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2rqy h SER 24 N 0.00 0.00 0.18 4.38 0.02 -1.79 -3.39 113.55 112.94 2rqy h SER 24 Ca -0.40 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.20 2rqy h SER 24 Cb 1.27 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.76 2rqy h SER 24 CO 0.49 0.19 -2.10 0.00 -1.14 0.00 0.00 176.83 174.27 2rqy n TYR 25 N -2.87 0.64 0.03 3.45 9.36 -1.26 -4.15 117.16 122.36 2rqy n TYR 25 Ca -0.01 0.18 0.22 0.00 3.32 0.00 0.00 57.90 61.60 2rqy n TYR 25 Cb 0.05 -1.10 0.73 0.00 -0.63 0.00 0.00 39.34 38.39 2rqy n TYR 25 CO 0.00 0.00 0.00 -0.07 0.22 0.00 0.00 176.86 177.01 2rqy h LEU 26 N 0.02 0.00 -0.83 2.98 -0.00 -1.96 0.31 115.31 115.83 2rqy h LEU 26 Ca -0.44 0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.32 2rqy h LEU 26 Cb 2.05 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 42.69 2rqy h LEU 26 CO 0.04 0.00 -0.56 1.23 -0.00 0.00 0.00 178.44 179.14 2rqy h GLY 27 N 0.00 0.00 1.09 0.83 0.00 -1.77 -2.33 103.07 100.90 2rqy h GLY 27 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.58 2rqy h GLY 27 CO -0.00 0.00 -0.61 0.54 0.00 0.00 0.00 176.54 176.47 2rqy n ARG 28 N -3.79 0.20 -0.08 4.80 1.74 0.10 -3.63 116.66 116.00 2rqy n ARG 28 Ca -0.01 0.05 -0.11 0.00 -0.77 0.00 0.00 57.85 57.01 2rqy n ARG 28 Cb 0.58 -1.62 -0.07 0.00 -1.02 0.00 0.00 32.46 30.34 2rqy n ARG 28 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2rqy h PHE 29 N 0.00 0.00 -0.32 -1.55 3.57 -1.18 -3.36 116.94 114.09 2rqy h PHE 29 Ca 0.00 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.59 2rqy h PHE 29 Cb 0.67 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.39 2rqy h PHE 29 CO 0.00 0.65 0.23 0.10 -2.23 0.00 0.00 178.31 177.06 2rqy h TYR 30 N -1.00 0.04 -0.24 0.41 -0.00 -1.60 -0.18 116.97 114.40 2rqy h TYR 30 Ca -0.10 0.00 0.07 0.00 -0.00 0.00 0.00 58.73 58.70 2rqy h TYR 30 Cb 0.74 -0.01 -0.01 0.00 -0.00 0.00 0.00 36.73 37.45 2rqy h TYR 30 CO 0.03 0.02 0.18 0.37 -0.00 0.00 0.00 178.16 178.76 2rqy h GLN 31 N 0.04 0.00 0.23 0.10 4.15 -1.71 -1.26 115.11 116.65 2rqy h GLN 31 Ca 0.15 0.00 -0.33 0.00 0.77 0.00 0.00 58.65 59.24 2rqy h GLN 31 Cb 0.56 0.00 0.03 0.00 0.21 0.00 0.00 27.48 28.28 2rqy h GLN 31 CO -0.01 0.00 -1.52 -0.44 -1.93 0.00 0.00 178.83 174.93 2rqy h ASP 32 N 0.00 0.75 -0.72 -0.69 3.32 -1.19 -2.89 116.42 115.00 2rqy h ASP 32 Ca 0.12 -0.86 -0.01 0.00 0.02 0.00 0.00 57.03 56.30 2rqy h ASP 32 Cb 0.48 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 2rqy h ASP 32 CO -0.00 1.69 0.42 -0.07 -1.72 0.00 0.00 179.24 179.55 2rqy h LEU 33 N 0.13 0.88 -0.17 1.55 3.38 -1.21 -1.58 115.31 118.30 2rqy h LEU 33 Ca -0.26 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2rqy h LEU 33 Cb 2.14 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 42.66 2rqy h LEU 33 CO 0.25 0.70 0.00 1.17 0.09 0.00 0.00 178.44 180.65 2rqy n LYS 34 N -4.50 0.24 -0.85 1.13 4.81 -0.57 -3.12 118.16 115.29 2rqy n LYS 34 Ca 0.06 0.26 -0.11 0.00 -0.87 0.00 0.00 58.31 57.65 2rqy n LYS 34 Cb 0.07 -1.82 -0.02 0.00 0.02 0.00 0.00 35.03 33.28 2rqy n LYS 34 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2rqy n ASP 35 N -2.25 5.86 -4.15 3.14 2.03 -0.60 -4.75 116.55 115.83 2rqy n ASP 35 Ca 0.05 -2.75 -0.35 0.00 0.52 0.00 0.00 54.79 52.26 2rqy n ASP 35 Cb 0.38 -1.17 -0.03 0.00 -0.72 0.00 0.00 41.12 39.58 2rqy n ASP 35 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2rqy n ARG 36 N 1.20 -2.85 -0.01 -0.67 1.74 -1.24 -4.79 116.66 110.05 2rqy n ARG 36 Ca 0.24 0.34 0.02 0.00 -0.77 0.00 0.00 57.85 57.68 2rqy n ARG 36 Cb 0.61 -5.05 -0.05 0.00 -1.02 0.00 0.00 32.46 26.95 2rqy n ARG 36 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2rqy n ASP 37 N -2.56 3.58 -3.76 0.55 2.03 -1.17 -5.04 116.55 110.18 2rqy n ASP 37 Ca 0.08 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.25 2rqy n ASP 37 Cb 0.49 1.16 -0.09 0.00 -0.72 0.00 0.00 41.12 41.95 2rqy n ASP 37 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2rqy s VAL 38 N -2.37 0.04 0.22 5.18 1.01 -1.18 -4.94 120.40 118.36 2rqy s VAL 38 Ca -0.02 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.32 2rqy s VAL 38 Cb 0.04 -0.58 -0.09 0.00 0.00 0.00 0.00 36.38 35.75 2rqy s VAL 38 CO 0.25 -0.19 0.93 -0.89 0.00 0.00 0.00 175.10 175.20 2rqy s THR 39 N -0.90 4.13 -1.30 3.92 2.01 -1.26 -4.61 115.64 117.62 2rqy s THR 39 Ca -0.10 2.05 -0.10 0.00 0.31 0.00 0.00 61.69 63.85 2rqy s THR 39 Cb -0.04 -4.31 -0.06 0.00 0.01 0.00 0.00 72.50 68.09 2rqy s THR 39 CO 0.03 0.49 2.49 0.49 -0.69 0.00 0.00 174.62 177.43 2rqy n PHE 40 N 1.60 2.21 -4.07 4.92 3.72 -1.26 -4.25 117.46 120.33 2rqy n PHE 40 Ca -0.02 -2.61 -0.13 0.00 -0.05 0.00 0.00 57.45 54.64 2rqy n PHE 40 Cb 0.47 -2.18 -0.11 0.00 -0.94 0.00 0.00 39.48 36.72 2rqy n PHE 40 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2rqy s SER 41 N 2.98 0.91 -0.78 4.37 0.01 -1.26 -4.66 113.70 115.26 2rqy s SER 41 Ca 0.56 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 57.21 2rqy s SER 41 Cb 0.15 0.03 -0.06 0.00 0.21 0.00 0.00 66.02 66.35 2rqy s SER 41 CO -0.04 -0.19 1.95 -0.81 0.41 0.00 0.00 173.24 174.56 2rqy n PRO 42 N 1.48 1.76 0.00 12.44 -0.04 -1.26 -2.93 135.00 146.45 2rqy n PRO 42 Ca -0.23 -1.37 0.00 0.00 -0.04 0.00 0.00 63.50 61.87 2rqy n PRO 42 Cb 0.55 -2.43 0.00 0.00 -0.04 0.00 0.00 33.50 31.57 2rqy n PRO 42 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2rqy n ALA 43 N 4.62 0.00 0.46 0.55 0.00 -1.26 -4.92 120.51 119.95 2rqy n ALA 43 Ca 0.39 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.96 2rqy n ALA 43 Cb 0.14 0.00 0.45 0.00 0.00 0.00 0.00 19.45 20.04 2rqy n ALA 43 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2rqy h THR 44 N 0.00 0.00 0.05 0.00 2.02 -1.78 -2.89 112.91 110.31 2rqy h THR 44 Ca 0.00 -0.44 -0.34 0.00 0.77 0.00 0.00 66.41 66.40 2rqy h THR 44 Cb 0.00 1.34 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 2rqy h THR 44 CO 0.00 0.00 -1.96 -0.38 0.37 0.00 0.00 175.52 173.55 2rqy n ILE 45 N -2.43 1.64 0.23 3.11 5.41 -1.20 -4.05 119.36 122.06 2rqy n ILE 45 Ca 0.04 -0.73 0.12 0.00 1.00 0.00 0.00 62.75 63.17 2rqy n ILE 45 Cb 0.35 -1.27 0.46 0.00 -0.71 0.00 0.00 39.64 38.47 2rqy n ILE 45 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 176.55 177.60 2rqy h GLU 46 N 0.03 0.00 0.00 0.38 4.11 -1.82 -0.88 114.58 116.40 2rqy h GLU 46 Ca -0.39 0.00 -0.09 0.00 0.07 0.00 0.00 59.36 58.95 2rqy h GLU 46 Cb 2.04 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 2rqy h GLU 46 CO 0.06 0.16 -0.41 1.05 0.07 0.00 0.00 179.01 179.94 2rqy h GLU 47 N 0.00 0.00 0.01 1.06 4.11 -1.65 -2.69 114.58 115.41 2rqy h GLU 47 Ca -0.00 0.00 -0.36 0.00 0.07 0.00 0.00 59.36 59.07 2rqy h GLU 47 Cb 0.76 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.95 2rqy h GLU 47 CO 0.02 0.41 -1.96 0.39 0.07 0.00 0.00 179.01 177.94 2rqy n GLU 48 N -3.41 0.59 -0.36 1.06 -0.58 -1.08 -4.35 120.64 112.50 2rqy n GLU 48 Ca 0.01 0.40 0.07 0.00 -0.42 0.00 0.00 57.16 57.21 2rqy n GLU 48 Cb 0.58 -1.62 0.24 0.00 -0.57 0.00 0.00 31.44 30.07 2rqy n GLU 48 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2rqy h LEU 49 N -0.91 0.93 -0.88 -4.62 5.85 -1.28 -1.24 115.31 113.17 2rqy h LEU 49 Ca -0.53 0.05 0.18 0.00 0.84 0.00 0.00 57.88 58.42 2rqy h LEU 49 Cb 1.51 -0.14 -0.11 0.00 0.37 0.00 0.00 40.66 42.29 2rqy h LEU 49 CO -0.30 0.50 0.42 -0.29 -0.34 0.00 0.00 178.44 178.43 2rqy h ILE 50 N 1.00 0.60 -0.59 4.05 2.10 -1.68 0.80 117.51 123.80 2rqy h ILE 50 Ca 0.50 -0.18 -0.07 0.00 1.08 0.00 0.00 64.86 66.18 2rqy h ILE 50 Cb 0.48 0.04 -0.02 0.00 -1.09 0.00 0.00 36.82 36.23 2rqy h ILE 50 CO -0.26 0.09 0.08 0.11 -1.08 0.00 0.00 178.15 177.10 2rqy h LYS 51 N 0.52 0.99 -0.43 2.19 1.79 -1.42 -2.01 116.57 118.19 2rqy h LYS 51 Ca 0.51 -0.27 -0.06 0.00 -2.18 0.00 0.00 60.65 58.65 2rqy h LYS 51 Cb 0.86 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 31.38 2rqy h LYS 51 CO -0.44 0.94 0.03 0.74 -1.08 0.00 0.00 179.45 179.64 2rqy h PHE 52 N 0.89 0.71 0.35 -1.35 0.04 -0.79 0.22 116.94 117.01 2rqy h PHE 52 Ca 0.18 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.85 2rqy h PHE 52 Cb 0.44 -0.20 0.00 0.00 2.20 0.00 0.00 35.95 38.39 2rqy h PHE 52 CO 0.03 0.65 -0.17 0.00 -0.60 0.00 0.00 178.31 178.23 2rqy h ARG 54 N -0.84 0.00 -0.45 0.00 -0.00 -1.33 -2.29 114.38 109.47 2rqy h ARG 54 Ca -0.05 0.00 -0.10 0.00 -0.50 0.00 0.00 59.98 59.34 2rqy h ARG 54 Cb 0.53 0.00 -0.06 0.00 0.00 0.00 0.00 29.97 30.44 2rqy h ARG 54 CO 0.08 0.19 0.07 -1.91 0.00 0.00 0.00 179.97 178.40 2rqy n GLU 55 N -3.67 3.21 -2.20 0.04 2.13 0.76 -5.00 120.64 115.90 2rqy n GLU 55 Ca -0.01 -3.01 -0.29 0.00 0.66 0.00 0.00 57.16 54.50 2rqy n GLU 55 Cb 0.31 -2.00 0.01 0.00 0.27 0.00 0.00 31.44 30.03 2rqy n GLU 55 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2rqy s ALA 56 N -2.95 3.21 -0.23 4.31 0.00 0.98 -4.89 121.76 122.20 2rqy s ALA 56 Ca 0.48 -0.34 -0.03 0.00 0.00 0.00 0.00 51.96 52.07 2rqy s ALA 56 Cb 0.39 -2.84 0.12 0.00 0.00 0.00 0.00 23.12 20.79 2rqy s ALA 56 CO 0.10 -0.64 0.33 1.03 0.00 0.00 0.00 175.76 176.58 2rqy s ARG 57 N -5.02 0.29 2.19 0.00 0.52 -1.26 -4.77 118.95 110.90 2rqy s ARG 57 Ca 0.53 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.18 2rqy s ARG 57 Cb -0.11 -0.68 0.00 0.00 0.52 0.00 0.00 34.95 34.69 2rqy s ARG 57 CO 0.49 -0.63 0.00 0.41 0.02 0.00 0.00 175.30 175.60 2rqy n GLY 58 N 5.35 0.73 0.34 -3.53 0.00 -1.26 -3.95 105.19 102.87 2rqy n GLY 58 Ca -0.04 -1.21 0.22 0.00 0.00 0.00 0.00 46.02 44.99 2rqy n GLY 58 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2rqy h LYS 59 N 0.00 0.00 0.00 1.61 2.10 -1.99 0.16 116.57 118.45 2rqy h LYS 59 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2rqy h LYS 59 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 2rqy h LYS 59 CO 0.00 0.00 0.00 0.39 -2.00 0.00 0.00 179.45 177.84 2rqy n GLU 60 N -3.09 0.12 -0.12 0.07 1.02 -1.25 -2.96 120.64 114.42 2rqy n GLU 60 Ca -0.03 0.20 -0.16 0.00 -0.02 0.00 0.00 57.16 57.14 2rqy n GLU 60 Cb 0.09 -1.67 -0.12 0.00 -0.02 0.00 0.00 31.44 29.71 2rqy n GLU 60 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2rqy n ASN 61 N -1.89 1.68 0.30 1.62 2.85 0.52 -4.30 115.26 116.04 2rqy n ASN 61 Ca 0.05 -0.11 0.19 0.00 -0.11 0.00 0.00 54.58 54.60 2rqy n ASN 61 Cb 0.32 -0.16 0.90 0.00 1.24 0.00 0.00 39.78 42.08 2rqy n ASN 61 CO 0.00 0.00 0.00 0.08 -2.11 0.00 0.00 177.26 175.23 2rqy h ARG 62 N 0.00 0.00 0.33 1.20 0.11 -1.51 -2.97 114.38 111.54 2rqy h ARG 62 Ca -0.56 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.50 2rqy h ARG 62 Cb 1.94 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.03 2rqy h ARG 62 CO -0.07 0.00 -0.16 -0.07 0.10 0.00 0.00 179.97 179.78 2rqy h LEU 63 N 0.00 -0.37 -1.69 0.08 4.07 -1.72 -2.80 115.31 112.88 2rqy h LEU 63 Ca -0.00 -0.13 0.16 0.00 0.08 0.00 0.00 57.88 57.99 2rqy h LEU 63 Cb 0.31 0.10 -0.04 0.00 1.08 0.00 0.00 40.66 42.10 2rqy h LEU 63 CO 0.00 0.09 0.49 0.00 -1.08 0.00 0.00 178.44 177.95 2rqy h TYR 65 N 0.30 0.00 0.00 0.00 5.03 -1.54 0.25 116.97 121.01 2rqy h TYR 65 Ca 0.35 0.00 -0.12 0.00 2.58 0.00 0.00 58.73 61.54 2rqy h TYR 65 Cb 0.96 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 39.22 2rqy h TYR 65 CO -0.00 0.42 -0.93 -0.92 -1.32 0.00 0.00 178.16 175.41 2rqy h TYR 66 N 0.00 0.00 0.00 -3.82 5.03 -0.24 -3.31 116.97 114.62 2rqy h TYR 66 Ca -0.00 0.00 -0.07 0.00 2.58 0.00 0.00 58.73 61.24 2rqy h TYR 66 Cb 0.81 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.08 2rqy h TYR 66 CO 0.00 0.50 -1.30 -0.89 -1.32 0.00 0.00 178.16 175.15 2rqy n ILE 67 N -3.04 0.76 -2.26 1.81 5.41 -0.26 -5.03 119.36 116.76 2rqy n ILE 67 Ca -0.03 -0.60 -0.00 0.00 1.00 0.00 0.00 62.75 63.11 2rqy n ILE 67 Cb 0.77 -0.44 0.00 0.00 -0.71 0.00 0.00 39.64 39.26 2rqy n ILE 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2rqy n GLY 68 N 1.28 -0.78 0.02 7.39 0.00 0.86 -4.60 105.19 109.37 2rqy n GLY 68 Ca -0.05 0.17 0.01 0.00 0.00 0.00 0.00 46.02 46.15 2rqy n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rqy n ALA 69 N -1.30 2.12 -2.53 4.61 0.00 -1.14 -3.80 120.51 118.48 2rqy n ALA 69 Ca 0.01 -0.44 -0.32 0.00 0.00 0.00 0.00 53.44 52.68 2rqy n ALA 69 Cb 0.48 -0.20 -0.15 0.00 0.00 0.00 0.00 19.45 19.58 2rqy n ALA 69 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2rqy s THR 70 N -2.54 2.47 0.62 0.00 -1.32 -1.26 -4.71 115.64 108.89 2rqy s THR 70 Ca -0.04 -0.93 0.33 0.00 -1.21 0.00 0.00 61.69 59.83 2rqy s THR 70 Cb 0.05 -1.92 0.37 0.00 -1.51 0.00 0.00 72.50 69.50 2rqy s THR 70 CO 0.44 0.58 2.18 0.44 -2.21 0.00 0.00 174.62 176.05 2rqy h ASP 71 N 5.67 0.00 1.28 8.08 5.19 -1.86 0.22 116.42 135.00 2rqy h ASP 71 Ca -0.40 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.01 2rqy h ASP 71 Cb 1.15 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.66 2rqy h ASP 71 CO 0.49 0.00 0.00 0.44 -3.12 0.00 0.00 179.24 177.05 2rqy h ASP 72 N 0.00 0.00 0.00 6.45 3.32 -1.95 -3.36 116.42 120.88 2rqy h ASP 72 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2rqy h ASP 72 Cb 0.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2rqy h ASP 72 CO -0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2rqy n ALA 73 N -2.03 -0.02 -1.65 3.45 0.00 0.77 -4.95 120.51 116.07 2rqy n ALA 73 Ca 0.02 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.44 2rqy n ALA 73 Cb 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.80 2rqy n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rqy n ALA 74 N -0.77 -0.08 -3.65 0.00 0.00 -1.24 -5.07 120.51 109.71 2rqy n ALA 74 Ca 0.00 -0.19 -0.04 0.00 0.00 0.00 0.00 53.44 53.21 2rqy n ALA 74 Cb 0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 19.45 19.10 2rqy n ALA 74 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2rqy s THR 75 N 0.00 0.00 -0.45 0.00 -1.32 -1.26 -5.03 115.64 107.59 2rqy s THR 75 Ca 0.00 0.00 -0.00 0.00 -1.21 0.00 0.00 61.69 60.48 2rqy s THR 75 Cb 0.00 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.37 2rqy s THR 75 CO -0.00 0.00 1.93 2.29 -2.21 0.00 0.00 174.62 176.63 2rqy n LYS 76 N 1.71 2.15 -3.46 7.08 2.85 -1.26 -3.03 118.16 124.19 2rqy n LYS 76 Ca -0.11 -2.35 -0.15 0.00 -1.05 0.00 0.00 58.31 54.66 2rqy n LYS 76 Cb 0.57 -1.92 -0.05 0.00 -0.65 0.00 0.00 35.03 32.98 2rqy n LYS 76 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 177.40 177.79 2rqy n ILE 77 N -0.39 0.00 -1.86 0.58 -6.64 -1.26 -4.96 119.36 104.83 2rqy n ILE 77 Ca 0.46 -1.49 -0.03 0.00 -1.77 0.00 0.00 62.75 59.91 2rqy n ILE 77 Cb 0.83 0.59 -0.03 0.00 -1.44 0.00 0.00 39.64 39.59 2rqy n ILE 77 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2rqy n ILE 78 N -0.52 0.00 1.93 7.28 3.06 -1.25 -3.89 119.36 125.97 2rqy n ILE 78 Ca -0.01 0.00 0.14 0.00 -2.50 0.00 0.00 62.75 60.38 2rqy n ILE 78 Cb 0.38 0.24 0.81 0.00 0.54 0.00 0.00 39.64 41.60 2rqy n ILE 78 CO 0.00 0.00 0.00 -0.46 -2.50 0.00 0.00 176.55 173.59 2rqy n ASN 79 N 0.00 0.20 -0.13 9.51 0.23 -1.26 -2.97 115.26 120.84 2rqy n ASN 79 Ca -0.13 -1.16 0.13 0.00 -0.53 0.00 0.00 54.58 52.89 2rqy n ASN 79 Cb 0.52 -0.00 0.44 0.00 -2.08 0.00 0.00 39.78 38.66 2rqy n ASN 79 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2rqy n GLU 80 N -0.80 0.55 0.00 -3.83 1.02 -1.26 -3.03 120.64 113.29 2rqy n GLU 80 Ca 0.21 -0.27 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2rqy n GLU 80 Cb 0.13 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 2rqy n GLU 80 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2rqy n VAL 81 N -0.99 0.08 0.04 2.62 3.14 -1.18 -4.85 118.33 117.21 2rqy n VAL 81 Ca 0.11 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2rqy n VAL 81 Cb 0.32 1.21 0.00 0.00 -1.06 0.00 0.00 33.84 34.31 2rqy n VAL 81 CO 0.00 0.00 0.00 -1.20 -6.46 0.00 0.00 176.83 169.17 2rqy n SER 82 N -0.04 0.63 -0.01 6.55 7.64 -1.16 -4.37 113.62 122.87 2rqy n SER 82 Ca 0.00 0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.88 2rqy n SER 82 Cb 0.40 -0.15 -0.08 0.00 -1.01 0.00 0.00 64.21 63.37 2rqy n SER 82 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2rqy h LYS 83 N 0.00 -0.51 -0.32 1.43 3.64 -1.77 0.24 116.57 119.28 2rqy h LYS 83 Ca 0.00 0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.29 2rqy h LYS 83 Cb 0.27 0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 32.20 2rqy h LYS 83 CO 0.00 -0.34 -0.31 -1.00 -2.27 0.00 0.00 179.45 175.53 2rqy h PRO 84 N -0.53 0.77 -0.12 1.90 0.13 -1.89 -2.95 132.00 129.31 2rqy h PRO 84 Ca 0.06 -0.40 0.04 0.00 -0.87 0.00 0.00 66.00 64.82 2rqy h PRO 84 Cb 0.66 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.79 2rqy h PRO 84 CO -0.43 1.03 0.17 1.25 -0.23 0.00 0.00 178.00 179.79 2rqy h LEU 85 N 0.53 0.00 0.00 1.56 5.85 -1.66 0.24 115.31 121.84 2rqy h LEU 85 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2rqy h LEU 85 Cb 0.88 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.91 2rqy h LEU 85 CO 0.08 0.00 -0.77 0.00 -0.34 0.00 0.00 178.44 177.41 2rqy h ALA 86 N 1.78 0.58 -0.71 1.25 0.00 -0.79 -3.32 119.26 118.05 2rqy h ALA 86 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.63 2rqy h ALA 86 Cb 0.40 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 17.99 2rqy h ALA 86 CO -0.00 0.00 0.42 0.72 0.00 0.00 0.00 179.25 180.39 2rqy n HIS 87 N -2.55 2.23 -2.63 0.00 8.25 0.84 -4.88 115.22 116.48 2rqy n HIS 87 Ca 0.01 -1.38 -0.10 0.00 -0.26 0.00 0.00 57.72 56.00 2rqy n HIS 87 Cb 0.51 -0.73 0.05 0.00 1.12 0.00 0.00 29.99 30.94 2rqy n HIS 87 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2rqy n HIS 88 N -0.56 -1.55 -3.22 4.41 -0.00 -1.20 -5.01 115.22 108.09 2rqy n HIS 88 Ca 0.42 0.55 -0.24 0.00 -0.00 0.00 0.00 57.72 58.45 2rqy n HIS 88 Cb 1.33 -3.56 -0.07 0.00 -0.00 0.00 0.00 29.99 27.69 2rqy n HIS 88 CO 0.00 0.00 0.00 -0.89 -0.00 0.00 0.00 176.34 175.45 2rqy n ILE 89 N -2.62 -0.13 -2.06 3.57 5.41 -1.08 -5.01 119.36 117.44 2rqy n ILE 89 Ca -0.06 -4.26 -0.40 0.00 1.00 0.00 0.00 62.75 59.03 2rqy n ILE 89 Cb 0.58 -1.86 -0.03 0.00 -0.71 0.00 0.00 39.64 37.62 2rqy n ILE 89 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2rqy s PRO 90 N -1.50 2.98 -0.81 0.38 0.04 -1.26 -3.65 135.00 131.17 2rqy s PRO 90 Ca 0.36 0.93 -0.09 0.00 0.04 0.00 0.00 61.00 62.24 2rqy s PRO 90 Cb 0.18 -4.28 0.09 0.00 0.04 0.00 0.00 34.50 30.53 2rqy s PRO 90 CO -0.09 -2.30 0.25 1.55 0.04 0.00 0.00 177.00 176.45 2rqy n VAL 91 N 7.27 -0.13 -0.04 -0.36 3.14 -1.26 -4.73 118.33 122.22 2rqy n VAL 91 Ca 0.21 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.61 2rqy n VAL 91 Cb 0.50 -0.43 -0.13 0.00 -1.06 0.00 0.00 33.84 32.72 2rqy n VAL 91 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2rqy n GLU 92 N -3.16 0.88 -0.00 1.45 2.13 -1.24 -4.44 120.64 116.25 2rqy n GLU 92 Ca 0.03 -0.10 0.09 0.00 0.66 0.00 0.00 57.16 57.85 2rqy n GLU 92 Cb 0.49 -1.40 -0.12 0.00 0.27 0.00 0.00 31.44 30.68 2rqy n GLU 92 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2rqy n LYS 93 N -2.28 0.64 -0.36 5.31 0.00 -1.26 -2.25 118.16 117.95 2rqy n LYS 93 Ca -0.12 -0.05 0.28 0.00 0.00 0.00 0.00 58.31 58.42 2rqy n LYS 93 Cb 0.67 -1.42 0.56 0.00 0.00 0.00 0.00 35.03 34.83 2rqy n LYS 93 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 177.40 176.56 2rqy h ILE 94 N 0.00 0.39 0.00 3.15 3.07 -1.89 -2.42 117.51 119.81 2rqy h ILE 94 Ca 0.00 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 66.31 2rqy h ILE 94 Cb 0.58 0.08 0.00 0.00 -0.27 0.00 0.00 36.82 37.21 2rqy h ILE 94 CO 0.00 0.05 0.00 0.00 -1.05 0.00 0.00 178.15 177.15 2rqy h GLU 96 N 0.00 -0.22 -0.23 0.00 4.57 -1.74 0.34 114.58 117.30 2rqy h GLU 96 Ca 0.00 0.01 -0.12 0.00 -1.18 0.00 0.00 59.36 58.08 2rqy h GLU 96 Cb 0.00 0.05 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 2rqy h GLU 96 CO 0.00 -0.14 -0.32 -0.22 -1.18 0.00 0.00 179.01 177.15 2rqy h LYS 97 N -0.22 0.62 -0.61 1.92 3.11 -1.60 -2.99 116.57 116.80 2rqy h LYS 97 Ca 0.04 -0.36 0.18 0.00 -2.81 0.00 0.00 60.65 57.69 2rqy h LYS 97 Cb 0.32 0.03 -0.02 0.00 -1.00 0.00 0.00 32.23 31.56 2rqy h LYS 97 CO -0.31 0.97 0.54 1.25 -2.81 0.00 0.00 179.45 179.09 2rqy h LEU 98 N 0.32 0.00 -1.55 5.20 7.12 -1.10 0.52 115.31 125.82 2rqy h LEU 98 Ca 0.03 0.00 0.22 0.00 0.13 0.00 0.00 57.88 58.26 2rqy h LEU 98 Cb 0.90 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.96 2rqy h LEU 98 CO 0.07 0.00 0.62 0.50 -0.13 0.00 0.00 178.44 179.50 2rqy h LYS 99 N 0.00 0.34 -0.54 1.25 3.64 -0.16 0.33 116.57 121.42 2rqy h LYS 99 Ca 0.29 -0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.81 2rqy h LYS 99 Cb 1.37 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.09 2rqy h LYS 99 CO -0.00 0.22 0.44 1.57 -2.27 0.00 0.00 179.45 179.41 2rqy h LYS 100 N 0.35 0.00 0.00 1.90 2.10 -1.08 -3.16 116.57 116.68 2rqy h LYS 100 Ca 0.49 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 59.03 2rqy h LYS 100 Cb 1.31 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.63 2rqy h LYS 100 CO -0.17 0.00 -1.25 1.63 -2.00 0.00 0.00 179.45 177.66 2rqy n LYS 101 N -4.12 0.46 -4.01 0.07 5.02 0.98 -4.68 118.16 111.88 2rqy n LYS 101 Ca 0.10 0.19 -0.31 0.00 -2.02 0.00 0.00 58.31 56.27 2rqy n LYS 101 Cb 0.66 -1.30 -0.16 0.00 -0.02 0.00 0.00 35.03 34.22 2rqy n LYS 101 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2rqy s ASP 102 N -6.25 3.70 0.22 4.39 2.15 -0.16 -4.93 116.67 115.79 2rqy s ASP 102 Ca -0.27 -1.04 0.23 0.00 0.43 0.00 0.00 52.55 51.91 2rqy s ASP 102 Cb 0.06 -1.32 0.15 0.00 -0.30 0.00 0.00 42.92 41.51 2rqy s ASP 102 CO 0.38 -0.16 1.21 0.28 -0.17 0.00 0.00 175.17 176.71 2rqy h SER 103 N 7.92 0.00 0.29 -0.34 0.02 -1.77 -3.31 113.55 116.37 2rqy h SER 103 Ca -0.25 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.64 2rqy h SER 103 Cb 1.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.62 2rqy h SER 103 CO 0.47 0.03 0.00 -0.61 -1.14 0.00 0.00 176.83 175.58 2rqy h GLN 104 N 0.00 0.00 -0.57 3.45 4.15 -1.84 -2.34 115.11 117.96 2rqy h GLN 104 Ca 0.00 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2rqy h GLN 104 Cb 0.93 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.60 2rqy h GLN 104 CO 0.00 0.00 0.21 0.97 -1.93 0.00 0.00 178.83 178.08 2rqy h ILE 105 N 0.00 1.21 0.00 2.39 2.10 -1.88 -3.32 117.51 118.02 2rqy h ILE 105 Ca 0.00 -0.68 0.00 0.00 1.08 0.00 0.00 64.86 65.26 2rqy h ILE 105 Cb 0.14 0.55 0.00 0.00 -1.09 0.00 0.00 36.82 36.43 2rqy h ILE 105 CO 0.00 0.27 0.00 0.00 -1.08 0.00 0.00 178.15 177.34 2rqy n GLU 107 N -1.25 0.00 -2.57 0.00 2.13 -1.22 -2.26 120.64 115.47 2rqy n GLU 107 Ca 0.00 0.06 0.01 0.00 0.66 0.00 0.00 57.16 57.89 2rqy n GLU 107 Cb 0.00 -0.39 0.00 0.00 0.27 0.00 0.00 31.44 31.32 2rqy n GLU 107 CO 0.00 0.00 0.00 1.47 -0.41 0.00 0.00 177.13 178.19 2rqy n LEU 108 N -1.98 0.00 -3.98 4.31 -0.00 -1.25 -4.60 117.00 109.50 2rqy n LEU 108 Ca 0.00 -0.13 -0.09 0.00 -0.00 0.00 0.00 56.01 55.79 2rqy n LEU 108 Cb 0.00 0.62 -0.11 0.00 -0.00 0.00 0.00 43.42 43.93 2rqy n LEU 108 CO 0.00 -0.04 -0.35 -0.54 -0.00 0.00 0.00 177.39 176.46 2rqy s LYS 109 N -2.00 0.34 -1.34 1.47 1.02 -1.26 -3.54 119.74 114.42 2rqy s LYS 109 Ca 0.10 -0.64 0.00 0.00 0.02 0.00 0.00 55.97 55.45 2rqy s LYS 109 Cb -0.00 0.12 0.00 0.00 -0.52 0.00 0.00 37.83 37.43 2rqy s LYS 109 CO -0.00 -0.06 0.00 0.98 -0.92 0.00 0.00 175.35 175.35 2rqy n TYR 110 N 1.49 -0.81 -0.03 3.18 9.36 -1.26 -4.74 117.16 124.34 2rqy n TYR 110 Ca -0.23 0.00 -0.04 0.00 3.32 0.00 0.00 57.90 60.94 2rqy n TYR 110 Cb 0.55 -2.82 -0.04 0.00 -0.63 0.00 0.00 39.34 36.41 2rqy n TYR 110 CO 0.00 0.00 0.00 -3.47 0.22 0.00 0.00 176.86 173.61 2rqy n ASP 111 N -1.19 3.50 -4.82 2.98 2.03 -1.26 -5.04 116.55 112.75 2rqy n ASP 111 Ca -0.15 -0.03 -0.26 0.00 0.52 0.00 0.00 54.79 54.87 2rqy n ASP 111 Cb 0.54 0.09 -0.05 0.00 -0.72 0.00 0.00 41.12 40.98 2rqy n ASP 111 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2rqy s LYS 112 N -2.14 2.96 -0.10 -0.67 2.20 -1.26 -5.12 119.74 115.62 2rqy s LYS 112 Ca -0.08 -0.86 -0.01 0.00 -0.36 0.00 0.00 55.97 54.66 2rqy s LYS 112 Cb 0.02 -2.67 0.03 0.00 -1.51 0.00 0.00 37.83 33.70 2rqy s LYS 112 CO 0.18 0.48 -0.02 -0.65 -0.36 0.00 0.00 175.35 174.98 2rqy s GLN 113 N -3.20 0.92 0.45 4.03 -0.21 -1.26 -4.72 119.66 115.66 2rqy s GLN 113 Ca 0.32 -0.07 -0.22 0.00 0.02 0.00 0.00 55.36 55.41 2rqy s GLN 113 Cb -0.10 -1.29 -0.08 0.00 1.00 0.00 0.00 33.01 32.54 2rqy s GLN 113 CO 0.24 -0.33 1.06 -1.50 -2.12 0.00 0.00 175.29 172.65 2rqy s ILE 114 N 1.87 3.66 -1.26 1.08 2.07 -1.07 -4.96 121.20 122.60 2rqy s ILE 114 Ca 0.04 1.15 -0.13 0.00 -1.41 0.00 0.00 60.65 60.30 2rqy s ILE 114 Cb -0.13 -3.53 0.14 0.00 0.13 0.00 0.00 42.46 39.08 2rqy s ILE 114 CO -0.06 -0.11 1.66 -0.67 -1.91 0.00 0.00 174.94 173.84 2rqy n ASP 115 N -0.58 5.04 0.00 4.50 2.03 -1.26 -3.97 116.55 122.32 2rqy n ASP 115 Ca 0.07 -2.99 0.00 0.00 0.52 0.00 0.00 54.79 52.39 2rqy n ASP 115 Cb 0.51 -1.58 0.00 0.00 -0.72 0.00 0.00 41.12 39.32 2rqy n ASP 115 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2rqy n LEU 116 N 5.69 0.00 0.00 -2.67 7.94 -1.26 -5.08 117.00 121.62 2rqy n LEU 116 Ca 0.41 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.31 2rqy n LEU 116 Cb 0.41 0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.49 2rqy n LEU 116 CO 0.72 -0.13 0.00 -1.54 -1.11 0.00 0.00 177.39 175.33 2rqy n SER 117 N -1.62 0.00 0.00 1.96 3.41 -1.25 -4.84 113.62 111.27 2rqy n SER 117 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2rqy n SER 117 Cb 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2rqy n SER 117 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2rqy n THR 118 N -1.80 0.00 -4.09 6.66 -2.24 -1.26 -5.01 114.28 106.53 2rqy n THR 118 Ca 0.00 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.46 2rqy n THR 118 Cb 0.00 0.00 -0.16 0.00 -2.10 0.00 0.00 70.33 68.07 2rqy n THR 118 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 2rqy s VAL 119 N -0.52 1.94 0.00 2.28 -7.23 -1.26 -2.59 120.40 113.01 2rqy s VAL 119 Ca 0.00 -0.86 0.00 0.00 -1.81 0.00 0.00 61.98 59.31 2rqy s VAL 119 Cb 0.00 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.18 2rqy s VAL 119 CO 0.00 0.52 0.00 -0.67 -0.31 0.00 0.00 175.10 174.64 2rqy n ASP 120 N 4.66 0.75 0.08 4.85 2.03 -1.26 -3.73 116.55 123.93 2rqy n ASP 120 Ca -0.20 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.13 2rqy n ASP 120 Cb 0.50 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.87 2rqy n ASP 120 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 2rqy h LEU 121 N 0.00 0.00 0.00 -2.67 -0.00 -1.92 -3.32 115.31 107.40 2rqy h LEU 121 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2rqy h LEU 121 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2rqy h LEU 121 CO 0.00 0.52 -0.04 0.29 -0.00 0.00 0.00 178.44 179.21 2rqy n LYS 122 N -3.03 0.03 -1.29 1.13 4.76 -1.26 -4.51 118.16 113.99 2rqy n LYS 122 Ca -0.04 0.23 -0.28 0.00 -2.87 0.00 0.00 58.31 55.35 2rqy n LYS 122 Cb 0.78 -0.77 -0.08 0.00 -1.84 0.00 0.00 35.03 33.11 2rqy n LYS 122 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 2rqy n LYS 123 N -2.45 3.04 -1.98 1.97 3.00 -1.26 -4.41 118.16 116.07 2rqy n LYS 123 Ca -0.01 -1.90 -0.35 0.00 -0.00 0.00 0.00 58.31 56.05 2rqy n LYS 123 Cb 0.02 -2.42 -0.04 0.00 0.00 0.00 0.00 35.03 32.59 2rqy n LYS 123 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.40 177.29 2rqy n LEU 124 N 2.70 3.93 -3.10 3.14 7.94 -1.25 -2.96 117.00 127.41 2rqy n LEU 124 Ca 0.61 -3.35 0.06 0.00 -1.11 0.00 0.00 56.01 52.21 2rqy n LEU 124 Cb 0.52 -1.61 0.00 0.00 0.53 0.00 0.00 43.42 42.86 2rqy n LEU 124 CO 0.51 -0.91 0.65 -0.60 -1.11 0.00 0.00 177.39 175.92 2rqy s ARG 125 N 5.47 0.00 0.00 1.96 3.52 -1.26 -4.62 118.95 124.03 2rqy s ARG 125 Ca 0.62 0.00 0.00 0.00 -0.13 0.00 0.00 55.73 56.22 2rqy s ARG 125 Cb 0.04 0.00 0.00 0.00 -1.56 0.00 0.00 34.95 33.43 2rqy s ARG 125 CO 0.11 -0.01 0.00 0.28 -0.81 0.00 0.00 175.30 174.87 2rqy n VAL 126 N 4.85 0.00 0.04 7.11 0.31 -1.26 -4.21 118.33 125.17 2rqy n VAL 126 Ca 0.10 0.00 0.16 0.00 -0.01 0.00 0.00 64.34 64.59 2rqy n VAL 126 Cb 0.60 0.00 0.64 0.00 -0.91 0.00 0.00 33.84 34.16 2rqy n VAL 126 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2rqy h LYS 127 N 0.00 0.08 0.00 5.55 1.63 -1.92 0.50 116.57 122.41 2rqy h LYS 127 Ca 0.00 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2rqy h LYS 127 Cb 0.00 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.61 2rqy h LYS 127 CO 0.00 0.06 0.00 -0.85 -3.45 0.00 0.00 179.45 175.21 2rqy n GLU 128 N -4.44 0.31 -0.00 1.90 -0.00 -1.16 -2.65 120.64 114.60 2rqy n GLU 128 Ca 0.07 0.07 -0.04 0.00 -0.00 0.00 0.00 57.16 57.26 2rqy n GLU 128 Cb 0.43 -1.50 -0.01 0.00 -0.00 0.00 0.00 31.44 30.36 2rqy n GLU 128 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 2rqy n LEU 129 N -1.30 1.42 0.15 -1.84 4.32 0.15 -3.90 117.00 115.98 2rqy n LEU 129 Ca 0.11 0.21 0.19 0.00 -0.02 0.00 0.00 56.01 56.50 2rqy n LEU 129 Cb 0.19 -0.49 0.75 0.00 -1.62 0.00 0.00 43.42 42.26 2rqy n LEU 129 CO 0.18 -0.55 1.17 0.07 -1.22 0.00 0.00 177.39 177.04 2rqy h LYS 130 N -0.38 0.00 0.00 3.23 2.10 -0.91 0.32 116.57 120.93 2rqy h LYS 130 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 2rqy h LYS 130 Cb 0.40 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.73 2rqy h LYS 130 CO -0.00 0.00 -0.32 1.63 -2.00 0.00 0.00 179.45 178.76 2rqy n LYS 131 N -3.50 0.25 -0.13 0.07 4.76 -1.08 -3.65 118.16 114.87 2rqy n LYS 131 Ca 0.05 0.36 -0.04 0.00 -2.87 0.00 0.00 58.31 55.81 2rqy n LYS 131 Cb 0.58 -1.23 0.02 0.00 -1.84 0.00 0.00 35.03 32.56 2rqy n LYS 131 CO 0.00 0.00 0.00 0.82 -1.37 0.00 0.00 177.40 176.85 2rqy h ILE 132 N -0.55 0.51 -0.60 -0.18 5.03 -1.63 0.73 117.51 120.83 2rqy h ILE 132 Ca 0.00 0.00 0.08 0.00 -0.12 0.00 0.00 64.86 64.82 2rqy h ILE 132 Cb 0.32 0.51 -0.04 0.00 -3.03 0.00 0.00 36.82 34.59 2rqy h ILE 132 CO 0.00 0.00 0.40 0.25 -0.68 0.00 0.00 178.15 178.12 2rqy h LEU 133 N -0.04 0.44 -2.47 1.44 6.46 -0.60 0.60 115.31 121.14 2rqy h LEU 133 Ca 0.21 0.01 0.00 0.00 -0.12 0.00 0.00 57.88 57.98 2rqy h LEU 133 Cb 0.36 -0.09 -0.00 0.00 -0.73 0.00 0.00 40.66 40.20 2rqy h LEU 133 CO -0.47 0.28 0.01 -0.78 -0.62 0.00 0.00 178.44 176.86 2rqy h ASP 134 N 0.49 0.00 -0.11 1.25 3.58 -0.92 -1.38 116.42 119.34 2rqy h ASP 134 Ca 0.27 0.00 -0.23 0.00 0.42 0.00 0.00 57.03 57.49 2rqy h ASP 134 Cb 0.41 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.48 2rqy h ASP 134 CO -0.08 0.00 -0.84 -0.78 -2.88 0.00 0.00 179.24 174.66 2rqy h ASP 135 N 0.00 0.94 1.01 2.28 1.82 -0.72 -3.18 116.42 118.56 2rqy h ASP 135 Ca 0.00 -0.64 -0.09 0.00 -0.39 0.00 0.00 57.03 55.91 2rqy h ASP 135 Cb 0.02 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.74 2rqy h ASP 135 CO -0.00 1.44 -0.42 -0.50 -1.61 0.00 0.00 179.24 178.16 2rqy h TRP 136 N 0.51 0.00 -1.22 0.28 -0.00 -1.30 -3.49 115.95 110.73 2rqy h TRP 136 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.82 2rqy h TRP 136 Cb 1.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 30.63 2rqy h TRP 136 CO 0.09 0.42 0.00 0.41 -0.00 0.00 0.00 178.44 179.36 2rqy n GLY 137 N 0.50 -2.12 3.56 1.49 0.00 -0.62 -5.13 105.19 102.87 2rqy n GLY 137 Ca 0.00 -0.76 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2rqy n GLY 137 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2rqy s GLU 138 N -2.24 2.03 -0.17 1.61 0.41 -1.26 -5.03 118.70 114.05 2rqy s GLU 138 Ca 0.00 -2.26 -0.03 0.00 -0.41 0.00 0.00 54.97 52.27 2rqy s GLU 138 Cb 0.00 -0.68 0.05 0.00 -1.78 0.00 0.00 34.13 31.72 2rqy s GLU 138 CO 0.00 -0.52 0.04 -1.64 -0.49 0.00 0.00 175.26 172.65 2rqy s MET 139 N -3.68 0.48 -0.21 1.61 -1.94 -1.26 -5.10 119.30 109.20 2rqy s MET 139 Ca 0.19 -0.24 -0.04 0.00 -1.71 0.00 0.00 55.69 53.89 2rqy s MET 139 Cb 0.01 -1.84 0.07 0.00 2.01 0.00 0.00 34.83 35.08 2rqy s MET 139 CO 0.13 -0.59 0.10 0.00 -0.01 0.00 0.00 175.02 174.65 2rqy s LYS 141 N 2.10 3.97 -1.28 0.00 1.02 -1.26 -4.04 119.74 120.25 2rqy s LYS 141 Ca 0.04 0.82 -0.05 0.00 0.02 0.00 0.00 55.97 56.80 2rqy s LYS 141 Cb -0.16 -3.76 -0.01 0.00 -0.52 0.00 0.00 37.83 33.38 2rqy s LYS 141 CO -0.17 -0.90 0.66 0.41 -0.92 0.00 0.00 175.35 174.43 2rqy n GLY 142 N 4.12 -0.47 3.64 -3.33 0.00 -1.26 -4.98 105.19 102.91 2rqy n GLY 142 Ca 0.09 0.22 -0.09 0.00 0.00 0.00 0.00 46.02 46.24 2rqy n GLY 142 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2rqy s ALA 144 N 0.61 -2.60 0.02 0.00 0.00 -1.26 -4.79 121.76 113.74 2rqy s ALA 144 Ca -0.01 1.18 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 2rqy s ALA 144 Cb -0.05 -2.54 0.03 0.00 0.00 0.00 0.00 23.12 20.56 2rqy s ALA 144 CO -0.07 -1.81 0.35 -1.21 0.00 0.00 0.00 175.76 173.02 2rqy s GLU 145 N 2.85 0.81 0.17 0.00 2.02 -1.26 -5.04 118.70 118.25 2rqy s GLU 145 Ca 0.13 -0.35 -0.14 0.00 0.02 0.00 0.00 54.97 54.63 2rqy s GLU 145 Cb -0.10 0.36 0.06 0.00 0.10 0.00 0.00 34.13 34.55 2rqy s GLU 145 CO -0.25 -0.26 1.80 -0.22 0.02 0.00 0.00 175.26 176.35 2rqy h LYS 146 N 3.33 0.73 0.00 1.61 3.11 -2.00 -1.02 116.57 122.32 2rqy h LYS 146 Ca -0.31 -0.07 0.00 0.00 -2.81 0.00 0.00 60.65 57.46 2rqy h LYS 146 Cb 1.19 -0.15 0.00 0.00 -1.00 0.00 0.00 32.23 32.27 2rqy h LYS 146 CO 0.43 0.54 0.00 0.43 -2.81 0.00 0.00 179.45 178.04 2rqy n SER 147 N -4.66 0.30 0.02 4.20 7.64 -1.26 -1.31 113.62 118.56 2rqy n SER 147 Ca 0.03 0.60 -0.05 0.00 1.01 0.00 0.00 58.87 60.46 2rqy n SER 147 Cb 0.06 -0.66 -0.11 0.00 -1.01 0.00 0.00 64.21 62.50 2rqy n SER 147 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 2rqy h ASP 148 N 0.00 0.00 0.51 6.43 3.58 -1.60 -3.36 116.42 121.98 2rqy h ASP 148 Ca 0.00 0.00 -0.28 0.00 0.42 0.00 0.00 57.03 57.17 2rqy h ASP 148 Cb 0.18 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 41.18 2rqy h ASP 148 CO 0.00 0.85 -1.68 -1.22 -2.88 0.00 0.00 179.24 174.31 2rqy n TYR 149 N -3.06 1.01 -0.27 0.28 4.01 -0.65 -3.85 117.16 114.63 2rqy n TYR 149 Ca -0.11 0.36 0.25 0.00 -0.16 0.00 0.00 57.90 58.25 2rqy n TYR 149 Cb 0.95 -1.18 0.61 0.00 -0.31 0.00 0.00 39.34 39.41 2rqy n TYR 149 CO 0.00 0.00 0.00 -0.84 -0.46 0.00 0.00 176.86 175.56 2rqy h ILE 150 N 0.00 0.55 0.03 -0.72 -0.00 -1.35 0.26 117.51 116.28 2rqy h ILE 150 Ca -0.27 -0.08 -0.27 0.00 -0.00 0.00 0.00 64.86 64.24 2rqy h ILE 150 Cb 1.98 0.30 -0.03 0.00 -0.00 0.00 0.00 36.82 39.07 2rqy h ILE 150 CO 0.08 0.04 -1.42 -0.09 -0.00 0.00 0.00 178.15 176.76 2rqy h ARG 151 N 0.23 0.07 0.59 0.16 2.43 -1.75 -2.99 114.38 113.12 2rqy h ARG 151 Ca 0.52 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.54 2rqy h ARG 151 Cb 1.61 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 31.21 2rqy h ARG 151 CO -0.14 0.85 -0.28 0.87 -1.51 0.00 0.00 179.97 179.75 2rqy h LYS 152 N 0.02 -0.76 -0.20 0.20 6.56 -0.66 -2.84 116.57 118.89 2rqy h LYS 152 Ca -0.18 0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.39 2rqy h LYS 152 Cb 1.93 0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 33.75 2rqy h LYS 152 CO 0.12 -0.46 -0.18 0.82 -2.06 0.00 0.00 179.45 177.69 2rqy h ILE 153 N -0.92 1.22 -0.85 1.86 1.08 -1.37 -2.69 117.51 115.84 2rqy h ILE 153 Ca -0.08 -1.02 0.13 0.00 -0.39 0.00 0.00 64.86 63.50 2rqy h ILE 153 Cb 0.65 1.27 -0.06 0.00 -3.07 0.00 0.00 36.82 35.61 2rqy h ILE 153 CO 0.13 0.32 0.55 0.78 -0.69 0.00 0.00 178.15 179.25 2rqy h ASN 154 N 0.32 0.63 1.06 1.72 4.21 -1.41 0.39 115.58 122.49 2rqy h ASN 154 Ca 0.06 0.03 -0.02 0.00 1.21 0.00 0.00 56.30 57.58 2rqy h ASN 154 Cb 0.51 -0.09 -0.00 0.00 -1.12 0.00 0.00 38.32 37.61 2rqy h ASN 154 CO 0.03 0.33 -0.08 -0.08 -1.29 0.00 0.00 177.43 176.35 2rqy h GLU 155 N 0.67 0.00 -0.29 0.81 4.81 -1.24 -2.75 114.58 116.60 2rqy h GLU 155 Ca 0.42 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.65 2rqy h GLU 155 Cb 0.67 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.05 2rqy h GLU 155 CO -0.18 0.08 0.00 1.28 -0.73 0.00 0.00 179.01 179.46 2rqy n LEU 156 N -3.19 3.21 0.13 1.64 7.99 0.98 -4.73 117.00 123.04 2rqy n LEU 156 Ca 0.01 -2.41 -0.15 0.00 -0.01 0.00 0.00 56.01 53.45 2rqy n LEU 156 Cb 0.36 -0.34 -0.09 0.00 -0.11 0.00 0.00 43.42 43.24 2rqy n LEU 156 CO 0.30 0.70 0.51 0.24 -1.51 0.00 0.00 177.39 177.63 2rqy h MET 157 N 1.77 -0.70 -3.72 3.23 2.86 -0.16 -2.37 114.93 115.84 2rqy h MET 157 Ca 0.00 0.05 -0.40 0.00 -2.06 0.00 0.00 59.70 57.29 2rqy h MET 157 Cb 0.99 0.16 0.02 0.00 0.06 0.00 0.00 31.60 32.83 2rqy h MET 157 CO 0.08 -0.47 2.37 -0.35 1.06 0.00 0.00 176.91 179.61 2rqy n PRO 158 N -5.19 1.73 0.00 -0.22 -0.04 -1.26 -1.39 135.00 128.64 2rqy n PRO 158 Ca -0.08 -1.43 0.00 0.00 -0.04 0.00 0.00 63.50 61.95 2rqy n PRO 158 Cb 0.38 -2.50 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 2rqy n PRO 158 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2rqy n LYS 159 N 4.89 0.00 0.13 0.54 4.81 -1.17 -4.92 118.16 122.43 2rqy n LYS 159 Ca 0.41 0.00 0.12 0.00 -0.87 0.00 0.00 58.31 57.97 2rqy n LYS 159 Cb 0.17 0.00 0.06 0.00 0.02 0.00 0.00 35.03 35.28 2rqy n LYS 159 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 2rqy h TYR 160 N 0.00 0.00 -0.87 5.64 0.05 -1.45 -3.40 116.97 116.94 2rqy h TYR 160 Ca 0.00 0.00 -0.36 0.00 0.05 0.00 0.00 58.73 58.42 2rqy h TYR 160 Cb 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 36.73 37.49 2rqy h TYR 160 CO 0.00 0.00 -0.76 0.00 -1.05 0.00 0.00 178.16 176.35 2rqy n ALA 161 N -2.14 0.29 -1.94 3.88 0.00 -0.48 -5.06 120.51 115.05 2rqy n ALA 161 Ca 0.01 -2.28 -0.30 0.00 0.00 0.00 0.00 53.44 50.87 2rqy n ALA 161 Cb 0.54 -1.10 -0.06 0.00 0.00 0.00 0.00 19.45 18.83 2rqy n ALA 161 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 2rqy n PRO 162 N 1.31 1.58 -0.82 0.00 -0.04 -0.90 -4.14 135.00 131.99 2rqy n PRO 162 Ca 0.14 -2.39 -0.03 0.00 -0.04 0.00 0.00 63.50 61.18 2rqy n PRO 162 Cb 0.61 -3.62 -0.04 0.00 -0.04 0.00 0.00 33.50 30.40 2rqy n PRO 162 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rqy n LYS 163 N 8.11 0.00 -1.10 0.54 5.02 -1.26 -4.87 118.16 124.60 2rqy n LYS 163 Ca 0.45 -0.68 -0.03 0.00 -2.02 0.00 0.00 58.31 56.04 2rqy n LYS 163 Cb 0.46 0.24 -0.03 0.00 -0.02 0.00 0.00 35.03 35.68 2rqy n LYS 163 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2rqy n ALA 164 N 0.03 3.08 0.00 7.82 0.00 -1.26 -4.84 120.51 125.34 2rqy n ALA 164 Ca -0.14 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.11 2rqy n ALA 164 Cb 0.65 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.66 2rqy n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rqy n ALA 165 N 0.16 0.00 0.07 0.00 0.00 -1.26 -4.78 120.51 114.70 2rqy n ALA 165 Ca -0.13 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.26 2rqy n ALA 165 Cb 0.83 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 20.19 2rqy n ALA 165 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2rqy h SER 166 N 0.00 0.00 0.00 0.00 0.87 -1.92 -3.33 113.55 109.17 2rqy h SER 166 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2rqy h SER 166 Cb 0.00 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.89 2rqy h SER 166 CO 0.00 0.87 -0.52 0.00 -0.53 0.00 0.00 176.83 176.65 2rqy n ALA 167 N -2.35 3.12 -1.48 6.23 0.00 -1.26 -4.71 120.51 120.07 2rqy n ALA 167 Ca -0.02 -2.91 0.01 0.00 0.00 0.00 0.00 53.44 50.52 2rqy n ALA 167 Cb 0.90 -0.44 0.20 0.00 0.00 0.00 0.00 19.45 20.12 2rqy n ALA 167 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2rqy n ARG 168 N -0.81 1.74 -3.08 0.00 0.63 -1.25 -4.91 116.66 108.98 2rqy n ARG 168 Ca 0.15 -3.19 -0.17 0.00 -0.92 0.00 0.00 57.85 53.72 2rqy n ARG 168 Cb 0.77 -1.72 0.02 0.00 0.45 0.00 0.00 32.46 31.98 2rqy n ARG 168 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 2rqy n THR 169 N -1.12 -8.09 0.10 5.15 -1.04 -1.26 -4.89 114.28 103.13 2rqy n THR 169 Ca 0.26 0.71 0.00 0.00 -2.04 0.00 0.00 64.05 62.98 2rqy n THR 169 Cb 0.87 -5.66 0.00 0.00 -1.82 0.00 0.00 70.33 63.72 2rqy n THR 169 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2rqy n ASP 170 N -0.00 -1.72 0.00 8.00 2.03 -1.26 -5.11 116.55 118.49 2rqy n ASP 170 Ca 0.03 0.37 0.07 0.00 0.52 0.00 0.00 54.79 55.78 2rqy n ASP 170 Cb 0.48 1.89 0.41 0.00 -0.72 0.00 0.00 41.12 43.18 2rqy n ASP 170 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46