#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 -0.43 -0.25 2.03 0.00 -1.26 -5.17 115.29 110.21 2rqy s HIS 2 Ca 0.00 0.16 -0.11 0.00 -3.00 0.00 0.00 55.06 52.11 2rqy s HIS 2 Cb 0.00 0.56 0.09 0.00 -4.00 0.00 0.00 32.58 29.23 2rqy s HIS 2 CO 0.00 -0.92 0.58 -3.38 -1.00 0.00 0.00 174.74 170.02 2rqy s HIS 3 N -3.79 -1.02 0.04 0.38 0.00 -1.26 -5.17 115.29 104.47 2rqy s HIS 3 Ca 0.03 1.94 -0.01 0.00 -3.00 0.00 0.00 55.06 54.02 2rqy s HIS 3 Cb -0.02 0.56 0.01 0.00 -4.00 0.00 0.00 32.58 29.13 2rqy s HIS 3 CO -0.09 -0.53 0.07 1.58 -1.00 0.00 0.00 174.74 174.78 2rqy n HIS 4 N 4.84 -1.07 -3.65 0.38 -0.00 -1.26 -5.18 115.22 109.28 2rqy n HIS 4 Ca -0.16 -0.18 -0.10 0.00 -0.00 0.00 0.00 57.72 57.28 2rqy n HIS 4 Cb 0.54 0.08 -0.08 0.00 -0.00 0.00 0.00 29.99 30.54 2rqy n HIS 4 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2rqy s HIS 5 N -8.02 -0.92 -0.15 1.57 0.00 -1.26 -5.17 115.29 101.34 2rqy s HIS 5 Ca 0.02 1.95 -0.34 0.00 -3.00 0.00 0.00 55.06 53.69 2rqy s HIS 5 Cb -0.00 0.48 0.13 0.00 -4.00 0.00 0.00 32.58 29.19 2rqy s HIS 5 CO 0.01 -0.46 1.14 -1.58 -1.00 0.00 0.00 174.74 172.86 2rqy s HIS 6 N 1.20 -0.17 -0.30 0.38 2.46 -1.26 -5.17 115.29 112.43 2rqy s HIS 6 Ca -0.07 0.10 -0.17 0.00 0.47 0.00 0.00 55.06 55.39 2rqy s HIS 6 Cb -0.05 0.52 0.19 0.00 -0.13 0.00 0.00 32.58 33.11 2rqy s HIS 6 CO -0.13 -0.28 1.18 -1.58 -2.47 0.00 0.00 174.74 171.47 2rqy s HIS 7 N -2.57 -0.26 0.07 3.88 5.65 -1.26 -5.18 115.29 115.62 2rqy s HIS 7 Ca 0.09 0.48 -0.16 0.00 0.25 0.00 0.00 55.06 55.71 2rqy s HIS 7 Cb -0.01 0.16 0.03 0.00 -1.18 0.00 0.00 32.58 31.58 2rqy s HIS 7 CO -0.05 -0.13 0.37 0.96 -0.65 0.00 0.00 174.74 175.24 2rqy s ILE 8 N 1.79 0.07 -0.02 0.89 -4.36 -1.26 -5.06 121.20 113.25 2rqy s ILE 8 Ca -0.03 -0.59 0.01 0.00 -0.26 0.00 0.00 60.65 59.78 2rqy s ILE 8 Cb -0.03 -1.04 0.03 0.00 1.25 0.00 0.00 42.46 42.67 2rqy s ILE 8 CO -0.15 -0.32 0.39 -1.84 0.24 0.00 0.00 174.94 173.26 2rqy n GLU 9 N 0.26 0.09 0.29 0.37 0.28 -1.26 -4.85 120.64 115.83 2rqy n GLU 9 Ca -0.18 -0.28 0.19 0.00 -0.16 0.00 0.00 57.16 56.74 2rqy n GLU 9 Cb 0.61 0.40 0.91 0.00 1.43 0.00 0.00 31.44 34.80 2rqy n GLU 9 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 177.13 177.75 2rqy h GLY 10 N 0.06 0.00 -5.00 -1.84 0.00 -1.97 -3.38 103.07 90.95 2rqy h GLY 10 Ca -0.14 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.07 2rqy h GLY 10 CO -0.07 0.00 -0.11 -0.96 0.00 0.00 0.00 176.54 175.40 2rqy n ARG 11 N -3.00 0.33 0.12 4.80 1.85 -1.26 -5.03 116.66 114.47 2rqy n ARG 11 Ca -0.01 -0.98 0.00 0.00 -1.00 0.00 0.00 57.85 55.86 2rqy n ARG 11 Cb 0.18 -0.46 0.00 0.00 -1.05 0.00 0.00 32.46 31.13 2rqy n ARG 11 CO 0.00 0.00 0.00 1.58 -0.01 0.00 0.00 177.63 179.20 2rqy n HIS 12 N 1.04 -3.61 0.33 2.89 -0.00 -1.26 -4.99 115.22 109.63 2rqy n HIS 12 Ca 0.00 0.81 -0.18 0.00 0.46 0.00 0.00 57.72 58.81 2rqy n HIS 12 Cb 0.71 2.25 -0.10 0.00 -0.12 0.00 0.00 29.99 32.74 2rqy n HIS 12 CO 0.00 0.00 0.00 1.98 0.46 0.00 0.00 176.34 178.78 2rqy h MET 13 N 0.00 -1.02 -6.08 1.57 1.85 -1.89 -3.42 114.93 105.95 2rqy h MET 13 Ca 0.00 0.07 -0.68 0.00 -0.61 0.00 0.00 59.70 58.48 2rqy h MET 13 Cb 0.00 0.23 -0.23 0.00 0.43 0.00 0.00 31.60 32.03 2rqy h MET 13 CO 0.00 -0.68 -0.76 -0.51 -0.40 0.00 0.00 176.91 174.56 2rqy s LEU 14 N -9.94 2.79 0.25 3.39 1.43 -1.26 -5.13 118.68 110.20 2rqy s LEU 14 Ca -0.18 -0.20 0.10 0.00 -1.03 0.00 0.00 54.13 52.82 2rqy s LEU 14 Cb 0.04 -1.58 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 2rqy s LEU 14 CO 0.59 0.31 -0.16 -0.13 0.23 0.00 0.00 176.35 177.19 2rqy s ARG 15 N -0.50 1.52 1.21 1.70 0.52 -1.26 -4.80 118.95 117.34 2rqy s ARG 15 Ca 0.07 -1.70 -0.20 0.00 -0.52 0.00 0.00 55.73 53.39 2rqy s ARG 15 Cb -0.12 -1.43 0.29 0.00 0.52 0.00 0.00 34.95 34.22 2rqy s ARG 15 CO 0.02 0.24 1.11 -1.25 0.02 0.00 0.00 175.30 175.43 2rqy s PRO 16 N -3.59 -1.31 -0.49 3.54 0.04 -1.26 -4.97 135.00 126.97 2rqy s PRO 16 Ca 0.27 -0.09 -0.24 0.00 0.04 0.00 0.00 61.00 60.97 2rqy s PRO 16 Cb -0.02 -1.59 0.03 0.00 0.04 0.00 0.00 34.50 32.96 2rqy s PRO 16 CO 0.11 -3.76 0.87 0.20 0.04 0.00 0.00 177.00 174.45 2rqy s GLY 17 N -3.91 1.51 0.46 0.56 0.00 -1.26 -5.04 107.32 99.64 2rqy s GLY 17 Ca 0.71 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 44.41 2rqy s GLY 17 CO 0.56 1.93 0.67 0.51 0.00 0.00 0.00 173.10 176.77 2rqy s ASP 18 N 2.40 5.71 -0.65 1.64 -4.77 -1.26 -4.97 116.67 114.77 2rqy s ASP 18 Ca 0.32 0.14 -0.26 0.00 -3.30 0.00 0.00 52.55 49.45 2rqy s ASP 18 Cb -0.12 -1.32 -0.09 0.00 -1.09 0.00 0.00 42.92 40.30 2rqy s ASP 18 CO 0.22 -0.78 2.32 0.00 0.70 0.00 0.00 175.17 177.64 2rqy n GLU 20 N 8.94 0.00 0.00 0.00 1.02 -1.26 -4.93 120.64 124.41 2rqy n GLU 20 Ca 0.39 0.20 0.00 0.00 -0.02 0.00 0.00 57.16 57.74 2rqy n GLU 20 Cb 0.49 -0.68 0.00 0.00 -0.02 0.00 0.00 31.44 31.24 2rqy n GLU 20 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 2rqy n VAL 21 N -1.24 0.00 -3.82 2.62 3.14 -1.26 -5.01 118.33 112.76 2rqy n VAL 21 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2rqy n VAL 21 Cb 0.00 0.00 0.01 0.00 -1.06 0.00 0.00 33.84 32.79 2rqy n VAL 21 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2rqy n ILE 23 N -0.41 0.00 0.01 0.00 0.00 -1.26 -4.89 119.36 112.81 2rqy n ILE 23 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 62.75 62.75 2rqy n ILE 23 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 39.64 39.92 2rqy n ILE 23 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 2rqy h SER 24 N 0.00 -0.06 0.00 9.51 4.64 -1.96 -3.14 113.55 122.54 2rqy h SER 24 Ca 0.00 0.01 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 2rqy h SER 24 Cb 0.00 0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.08 2rqy h SER 24 CO 0.00 -0.02 -1.69 0.00 -0.87 0.00 0.00 176.83 174.25 2rqy n TYR 25 N -2.50 0.00 -0.06 4.77 9.36 -1.26 -4.33 117.16 123.14 2rqy n TYR 25 Ca -0.00 0.00 0.25 0.00 3.32 0.00 0.00 57.90 61.46 2rqy n TYR 25 Cb 0.02 -0.64 0.72 0.00 -0.63 0.00 0.00 39.34 38.80 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 -0.79 0.00 -0.40 2.98 -0.00 -1.97 0.16 115.31 115.29 2rqy h LEU 26 Ca -0.35 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.36 2rqy h LEU 26 Cb 1.23 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.88 2rqy h LEU 26 CO -0.21 0.00 -0.54 1.23 -0.00 0.00 0.00 178.44 178.92 2rqy h GLY 27 N 0.00 0.81 1.74 0.83 0.00 -1.77 -2.60 103.07 102.08 2rqy h GLY 27 Ca 0.32 -0.94 0.00 0.00 0.00 0.00 0.00 47.33 46.71 2rqy h GLY 27 CO -0.00 0.84 -0.17 -0.96 0.00 0.00 0.00 176.54 176.25 2rqy n ARG 28 N -3.99 0.16 -0.06 4.80 1.85 0.45 -3.21 116.66 116.66 2rqy n ARG 28 Ca -0.04 0.11 -0.05 0.00 -1.00 0.00 0.00 57.85 56.87 2rqy n ARG 28 Cb 0.61 -1.66 -0.04 0.00 -1.05 0.00 0.00 32.46 30.32 2rqy n ARG 28 CO 0.00 0.00 0.00 0.35 -0.01 0.00 0.00 177.63 177.97 2rqy h PHE 29 N 0.00 0.00 -0.02 2.89 3.57 -1.07 -3.35 116.94 118.96 2rqy h PHE 29 Ca 0.00 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.51 2rqy h PHE 29 Cb 0.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 2rqy h PHE 29 CO 0.00 0.31 0.02 0.10 -2.23 0.00 0.00 178.31 176.51 2rqy h TYR 30 N -1.00 0.00 -0.41 0.41 -0.00 -1.60 -1.29 116.97 113.09 2rqy h TYR 30 Ca -0.01 0.00 0.10 0.00 0.00 0.00 0.00 58.73 58.82 2rqy h TYR 30 Cb 0.35 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.06 2rqy h TYR 30 CO 0.06 0.00 0.29 0.37 -0.00 0.00 0.00 178.16 178.87 2rqy h GLN 31 N 0.00 0.09 0.16 0.10 4.15 -1.67 -1.17 115.11 116.77 2rqy h GLN 31 Ca 0.01 -0.01 -0.32 0.00 0.77 0.00 0.00 58.65 59.11 2rqy h GLN 31 Cb 0.05 -0.02 0.01 0.00 0.21 0.00 0.00 27.48 27.73 2rqy h GLN 31 CO -0.00 0.06 -1.52 -0.44 -1.93 0.00 0.00 178.83 175.00 2rqy h ASP 32 N 0.09 0.54 -0.75 -0.69 5.19 -1.36 -2.94 116.42 116.50 2rqy h ASP 32 Ca 0.19 -0.69 -0.00 0.00 -0.62 0.00 0.00 57.03 55.91 2rqy h ASP 32 Cb 0.65 -0.18 -0.04 0.00 0.18 0.00 0.00 39.33 39.94 2rqy h ASP 32 CO -0.02 1.56 0.46 -0.07 -3.12 0.00 0.00 179.24 178.06 2rqy h LEU 33 N 0.09 0.90 -0.04 1.55 3.38 -1.15 -1.56 115.31 118.48 2rqy h LEU 33 Ca -0.25 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2rqy h LEU 33 Cb 2.06 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2rqy h LEU 33 CO 0.20 0.69 0.00 1.17 0.09 0.00 0.00 178.44 180.59 2rqy n LYS 34 N -4.51 0.26 -0.86 1.13 4.81 -0.58 -2.95 118.16 115.46 2rqy n LYS 34 Ca 0.07 0.23 -0.11 0.00 -0.87 0.00 0.00 58.31 57.63 2rqy n LYS 34 Cb 0.05 -1.81 -0.05 0.00 0.02 0.00 0.00 35.03 33.25 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 -2.26 5.72 -4.25 3.14 2.03 -0.60 -4.74 116.55 115.60 2rqy n ASP 35 Ca 0.05 -2.68 -0.36 0.00 0.52 0.00 0.00 54.79 52.32 2rqy n ASP 35 Cb 0.42 -1.21 -0.04 0.00 -0.72 0.00 0.00 41.12 39.58 2rqy n ASP 35 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2rqy n ARG 36 N 1.43 -2.76 -0.01 -0.67 3.00 -1.25 -4.79 116.66 111.61 2rqy n ARG 36 Ca 0.25 0.33 -0.01 0.00 -0.00 0.00 0.00 57.85 58.43 2rqy n ARG 36 Cb 0.64 -4.94 -0.02 0.00 0.00 0.00 0.00 32.46 28.14 2rqy n ARG 36 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2rqy n ASP 37 N -2.67 4.38 -3.81 6.15 2.03 -1.17 -5.06 116.55 116.40 2rqy n ASP 37 Ca 0.03 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.22 2rqy n ASP 37 Cb 0.51 0.69 -0.09 0.00 -0.72 0.00 0.00 41.12 41.51 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 -2.09 0.07 0.35 5.18 1.01 -1.15 -4.95 120.40 118.82 2rqy s VAL 38 Ca -0.01 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 2rqy s VAL 38 Cb 0.01 -0.54 -0.10 0.00 0.00 0.00 0.00 36.38 35.75 2rqy s VAL 38 CO 0.11 -0.31 0.89 -0.89 0.00 0.00 0.00 175.10 174.89 2rqy s THR 39 N -1.36 4.39 -1.35 3.92 2.01 -1.26 -4.51 115.64 117.47 2rqy s THR 39 Ca -0.14 1.51 -0.09 0.00 0.31 0.00 0.00 61.69 63.28 2rqy s THR 39 Cb -0.06 -3.78 -0.09 0.00 0.01 0.00 0.00 72.50 68.58 2rqy s THR 39 CO 0.03 -0.06 2.76 0.49 -0.69 0.00 0.00 174.62 177.15 2rqy n PHE 40 N 0.01 2.01 -4.21 4.92 3.72 -1.26 -4.09 117.46 118.56 2rqy n PHE 40 Ca 0.03 -2.70 -0.18 0.00 -0.05 0.00 0.00 57.45 54.55 2rqy n PHE 40 Cb 0.52 -2.23 -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 2.49 1.85 0.00 4.37 0.01 -1.26 -4.63 113.70 116.53 2rqy s SER 41 Ca 0.61 -0.75 0.15 0.00 1.31 0.00 0.00 55.95 57.27 2rqy s SER 41 Cb 0.17 -0.05 0.72 0.00 0.21 0.00 0.00 66.02 67.06 2rqy s SER 41 CO -0.05 -0.13 1.42 -0.81 0.41 0.00 0.00 173.24 174.07 2rqy n PRO 42 N 0.77 0.17 -0.09 12.44 -0.04 -1.26 -0.98 135.00 146.00 2rqy n PRO 42 Ca -0.17 0.17 -0.11 0.00 -0.04 0.00 0.00 63.50 63.34 2rqy n PRO 42 Cb 0.56 -1.50 -0.09 0.00 -0.04 0.00 0.00 33.50 32.43 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 -1.33 1.61 0.18 0.55 0.00 -1.26 -3.71 120.51 116.55 2rqy n ALA 43 Ca 0.06 -0.83 0.10 0.00 0.00 0.00 0.00 53.44 52.77 2rqy n ALA 43 Cb 0.13 0.04 0.10 0.00 0.00 0.00 0.00 19.45 19.72 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 0.12 0.03 0.00 2.02 -1.80 -3.08 112.91 110.20 2rqy h THR 44 Ca -0.41 -1.18 -0.33 0.00 0.77 0.00 0.00 66.41 65.27 2rqy h THR 44 Cb 1.70 1.93 -0.05 0.00 -1.74 0.00 0.00 68.15 70.00 2rqy h THR 44 CO -0.04 0.07 -1.93 -0.38 0.37 0.00 0.00 175.52 173.60 2rqy n ILE 45 N -3.01 1.62 0.21 3.11 5.41 -0.16 -4.07 119.36 122.47 2rqy n ILE 45 Ca 0.02 -0.75 0.09 0.00 1.00 0.00 0.00 62.75 63.11 2rqy n ILE 45 Cb 0.57 -1.17 0.38 0.00 -0.71 0.00 0.00 39.64 38.72 2rqy n ILE 45 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2rqy h GLU 46 N 0.02 0.00 0.00 0.38 4.22 -1.66 -1.05 114.58 116.49 2rqy h GLU 46 Ca -0.38 0.00 -0.08 0.00 0.08 0.00 0.00 59.36 58.98 2rqy h GLU 46 Cb 2.05 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.28 2rqy h GLU 46 CO 0.06 0.25 -0.36 1.05 -2.18 0.00 0.00 179.01 177.83 2rqy h GLU 47 N 0.00 0.00 0.00 1.92 4.11 -1.68 -2.78 114.58 116.15 2rqy h GLU 47 Ca -0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.36 59.10 2rqy h GLU 47 Cb 0.85 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.05 2rqy h GLU 47 CO 0.03 0.36 -1.82 0.39 0.07 0.00 0.00 179.01 178.05 2rqy n GLU 48 N -3.45 0.57 -0.32 1.06 -0.58 -1.09 -4.33 120.64 112.50 2rqy n GLU 48 Ca 0.00 0.43 0.10 0.00 -0.42 0.00 0.00 57.16 57.27 2rqy n GLU 48 Cb 0.53 -1.63 0.27 0.00 -0.57 0.00 0.00 31.44 30.04 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 -1.00 0.63 -0.82 -4.62 5.85 -1.30 -0.25 115.31 113.80 2rqy h LEU 49 Ca -0.50 0.10 0.17 0.00 0.84 0.00 0.00 57.88 58.49 2rqy h LEU 49 Cb 1.42 -0.01 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 2rqy h LEU 49 CO -0.30 0.23 0.35 -0.29 -0.34 0.00 0.00 178.44 178.09 2rqy h ILE 50 N 0.67 0.61 -0.46 4.05 2.10 -1.69 0.29 117.51 123.09 2rqy h ILE 50 Ca 0.52 -0.16 -0.05 0.00 1.08 0.00 0.00 64.86 66.26 2rqy h ILE 50 Cb 0.79 0.11 -0.02 0.00 -1.09 0.00 0.00 36.82 36.61 2rqy h ILE 50 CO -0.38 0.09 0.10 0.11 -1.08 0.00 0.00 178.15 176.98 2rqy h LYS 51 N 0.47 0.74 -0.87 2.19 1.57 -1.24 -1.73 116.57 117.69 2rqy h LYS 51 Ca 0.47 -0.18 -0.01 0.00 -1.87 0.00 0.00 60.65 59.06 2rqy h LYS 51 Cb 0.76 -0.09 -0.04 0.00 0.08 0.00 0.00 32.23 32.94 2rqy h LYS 51 CO -0.44 0.74 0.51 0.74 -0.57 0.00 0.00 179.45 180.43 2rqy h PHE 52 N 0.61 1.17 0.59 -1.35 -1.00 -0.83 0.14 116.94 116.27 2rqy h PHE 52 Ca 0.14 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.88 2rqy h PHE 52 Cb 0.34 -0.38 0.01 0.00 3.61 0.00 0.00 35.95 39.53 2rqy h PHE 52 CO 0.02 0.79 -0.28 0.00 -1.61 0.00 0.00 178.31 177.23 2rqy h ARG 54 N -1.09 0.00 -0.14 0.00 2.43 -1.26 -1.21 114.38 113.11 2rqy h ARG 54 Ca -0.08 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 2rqy h ARG 54 Cb 0.66 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.18 2rqy h ARG 54 CO 0.13 0.00 -0.12 -1.91 -1.51 0.00 0.00 179.97 176.56 2rqy n GLU 55 N -2.65 1.85 -3.54 0.20 2.13 0.48 -5.03 120.64 114.07 2rqy n GLU 55 Ca -0.01 -2.94 -0.29 0.00 0.66 0.00 0.00 57.16 54.59 2rqy n GLU 55 Cb 0.12 -1.68 -0.03 0.00 0.27 0.00 0.00 31.44 30.12 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 -3.03 3.73 -0.22 4.31 0.00 0.11 -4.89 121.76 121.77 2rqy s ALA 56 Ca 0.39 -0.67 -0.03 0.00 0.00 0.00 0.00 51.96 51.65 2rqy s ALA 56 Cb 0.34 -2.15 0.12 0.00 0.00 0.00 0.00 23.12 21.43 2rqy s ALA 56 CO 0.01 0.40 0.34 1.03 0.00 0.00 0.00 175.76 177.54 2rqy s ARG 57 N -3.30 0.30 0.00 0.00 3.00 -1.26 -4.70 118.95 112.99 2rqy s ARG 57 Ca 0.41 0.50 0.00 0.00 0.00 0.00 0.00 55.73 56.64 2rqy s ARG 57 Cb -0.11 -0.58 0.00 0.00 0.00 0.00 0.00 34.95 34.26 2rqy s ARG 57 CO 0.28 -0.60 0.00 0.41 0.00 0.00 0.00 175.30 175.40 2rqy n GLY 58 N 5.35 0.92 0.31 -3.53 0.00 -1.26 -4.31 105.19 102.67 2rqy n GLY 58 Ca -0.05 -1.52 0.20 0.00 0.00 0.00 0.00 46.02 44.66 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 -0.00 -1.99 0.19 116.57 116.38 2rqy h LYS 59 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 60.65 60.65 2rqy h LYS 59 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.23 32.23 2rqy h LYS 59 CO 0.00 0.00 -0.12 0.93 -0.00 0.00 0.00 179.45 180.26 2rqy h GLU 60 N 0.00 0.00 0.05 0.07 5.08 -1.95 -3.24 114.58 114.58 2rqy h GLU 60 Ca 0.00 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.99 2rqy h GLU 60 Cb 0.03 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2rqy h GLU 60 CO 0.00 0.00 -2.22 -1.71 -1.00 0.00 0.00 179.01 174.08 2rqy n ASN 61 N -2.45 1.74 0.29 1.42 2.85 0.61 -4.04 115.26 115.68 2rqy n ASN 61 Ca 0.05 0.06 0.16 0.00 -0.11 0.00 0.00 54.58 54.73 2rqy n ASN 61 Cb 0.46 -0.41 0.90 0.00 1.24 0.00 0.00 39.78 41.97 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 0.03 0.00 -0.01 1.20 0.11 -1.49 -2.44 114.38 111.77 2rqy h ARG 62 Ca -0.49 0.00 -0.15 0.00 0.10 0.00 0.00 59.98 59.44 2rqy h ARG 62 Cb 2.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 33.09 2rqy h ARG 62 CO 0.01 0.04 -0.58 -0.07 0.10 0.00 0.00 179.97 179.47 2rqy h LEU 63 N 0.00 0.52 -1.22 0.08 4.07 -1.72 -3.18 115.31 113.86 2rqy h LEU 63 Ca -0.00 -0.75 0.06 0.00 0.08 0.00 0.00 57.88 57.26 2rqy h LEU 63 Cb 0.16 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 41.69 2rqy h LEU 63 CO 0.01 1.20 0.55 0.00 -1.08 0.00 0.00 178.44 179.12 2rqy h TYR 65 N 0.96 1.16 -0.30 0.00 3.20 -1.56 0.22 116.97 120.64 2rqy h TYR 65 Ca 0.36 -0.05 -0.15 0.00 3.14 0.00 0.00 58.73 62.03 2rqy h TYR 65 Cb 0.18 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.08 2rqy h TYR 65 CO -0.00 0.83 -0.41 -0.92 -1.64 0.00 0.00 178.16 176.02 2rqy h TYR 66 N 1.15 0.89 -0.05 -3.82 5.03 -1.29 -3.08 116.97 115.79 2rqy h TYR 66 Ca 0.28 -0.27 -0.16 0.00 2.58 0.00 0.00 58.73 61.16 2rqy h TYR 66 Cb 0.09 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.18 2rqy h TYR 66 CO 0.01 1.03 -0.69 0.82 -1.32 0.00 0.00 178.16 178.02 2rqy h ILE 67 N 0.61 1.41 -2.00 1.81 2.04 -0.91 -3.49 117.51 116.99 2rqy h ILE 67 Ca 0.05 -2.16 0.00 0.00 1.00 0.00 0.00 64.86 63.74 2rqy h ILE 67 Cb 0.97 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 39.18 2rqy h ILE 67 CO 0.09 0.64 0.00 0.61 0.00 0.00 0.00 178.15 179.49 2rqy n GLY 68 N 0.45 0.91 0.15 5.37 0.00 0.73 -4.16 105.19 108.64 2rqy n GLY 68 Ca -0.03 -0.46 0.05 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.00 2.03 -2.57 4.61 0.00 -1.08 -1.38 120.51 121.12 2rqy n ALA 69 Ca 0.00 -1.72 -0.24 0.00 0.00 0.00 0.00 53.44 51.48 2rqy n ALA 69 Cb 0.33 -0.29 -0.08 0.00 0.00 0.00 0.00 19.45 19.41 2rqy n ALA 69 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2rqy s THR 70 N -1.56 2.98 -0.01 0.00 -4.23 -1.26 -4.91 115.64 106.64 2rqy s THR 70 Ca 0.15 -1.98 -0.25 0.00 -1.18 0.00 0.00 61.69 58.43 2rqy s THR 70 Cb 0.13 -2.77 -0.19 0.00 1.34 0.00 0.00 72.50 71.01 2rqy s THR 70 CO 0.01 -0.29 1.32 -0.78 -0.54 0.00 0.00 174.62 174.34 2rqy h ASP 71 N 1.87 0.02 -0.53 3.99 3.58 -1.97 -0.40 116.42 122.98 2rqy h ASP 71 Ca -0.43 -0.44 0.06 0.00 0.42 0.00 0.00 57.03 56.64 2rqy h ASP 71 Cb 1.25 -0.01 -0.03 0.00 1.72 0.00 0.00 39.33 42.27 2rqy h ASP 71 CO 0.63 0.46 0.36 0.44 -2.88 0.00 0.00 179.24 178.24 2rqy h ASP 72 N -0.42 0.43 0.10 2.28 5.19 -2.00 0.23 116.42 122.23 2rqy h ASP 72 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2rqy h ASP 72 Cb 0.45 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2rqy h ASP 72 CO 0.00 0.29 -0.00 0.00 -3.12 0.00 0.00 179.24 176.40 2rqy n ALA 73 N -2.49 2.66 -1.10 3.45 0.00 -1.17 -4.87 120.51 116.98 2rqy n ALA 73 Ca 0.07 -0.21 -0.03 0.00 0.00 0.00 0.00 53.44 53.26 2rqy n ALA 73 Cb 0.23 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 -0.95 -0.05 -3.00 0.00 0.00 0.79 -4.00 120.51 113.29 2rqy n ALA 74 Ca 0.22 0.05 -0.03 0.00 0.00 0.00 0.00 53.44 53.68 2rqy n ALA 74 Cb 0.15 -1.21 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2rqy n ALA 74 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2rqy n THR 75 N -2.34 -6.77 0.00 0.00 -2.24 -0.19 -4.89 114.28 97.86 2rqy n THR 75 Ca -0.03 1.05 -0.02 0.00 -2.27 0.00 0.00 64.05 62.78 2rqy n THR 75 Cb 0.39 -4.89 -0.01 0.00 -2.10 0.00 0.00 70.33 63.72 2rqy n THR 75 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 2rqy h LYS 76 N 3.19 -0.07 -0.67 -0.78 1.63 -1.36 -3.46 116.57 115.05 2rqy h LYS 76 Ca -0.04 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.97 2rqy h LYS 76 Cb 0.62 0.02 -0.26 0.00 -0.60 0.00 0.00 32.23 32.01 2rqy h LYS 76 CO 0.07 -0.05 0.38 0.96 -3.45 0.00 0.00 179.45 177.36 2rqy s ILE 77 N -3.33 -0.29 0.62 2.00 -4.36 -1.23 -5.01 121.20 109.61 2rqy s ILE 77 Ca -0.02 0.00 0.33 0.00 -0.26 0.00 0.00 60.65 60.70 2rqy s ILE 77 Cb 0.01 -1.00 0.37 0.00 1.25 0.00 0.00 42.46 43.09 2rqy s ILE 77 CO 0.08 0.00 2.12 -0.29 0.24 0.00 0.00 174.94 177.08 2rqy h ILE 78 N 5.29 0.26 0.00 8.37 6.09 -1.88 0.27 117.51 135.90 2rqy h ILE 78 Ca -0.16 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.33 2rqy h ILE 78 Cb 1.12 0.83 0.00 0.00 0.47 0.00 0.00 36.82 39.25 2rqy h ILE 78 CO 0.08 0.00 0.00 -0.46 -3.07 0.00 0.00 178.15 174.70 2rqy n ASN 79 N -3.44 0.00 0.06 2.19 0.23 -1.26 -1.17 115.26 111.87 2rqy n ASN 79 Ca -0.00 0.37 0.13 0.00 -0.53 0.00 0.00 54.58 54.55 2rqy n ASN 79 Cb 0.29 -0.44 0.49 0.00 -2.08 0.00 0.00 39.78 38.03 2rqy n ASN 79 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 2rqy n GLU 80 N -1.44 0.13 -0.11 -3.83 2.13 0.95 -2.94 120.64 115.53 2rqy n GLU 80 Ca 0.05 0.16 0.00 0.00 0.66 0.00 0.00 57.16 58.03 2rqy n GLU 80 Cb 0.17 -1.66 0.00 0.00 0.27 0.00 0.00 31.44 30.22 2rqy n GLU 80 CO 0.00 0.00 0.00 1.55 -0.41 0.00 0.00 177.13 178.27 2rqy n VAL 81 N -1.89 0.00 0.03 6.31 3.14 -0.92 -4.91 118.33 120.09 2rqy n VAL 81 Ca 0.05 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.43 2rqy n VAL 81 Cb 0.34 0.69 0.00 0.00 -1.06 0.00 0.00 33.84 33.81 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 0.00 0.29 -0.05 6.55 7.64 -0.32 -4.41 113.62 123.31 2rqy n SER 82 Ca 0.00 0.08 -0.14 0.00 1.01 0.00 0.00 58.87 59.82 2rqy n SER 82 Cb 0.53 -0.05 -0.09 0.00 -1.01 0.00 0.00 64.21 63.59 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 -0.48 -0.36 1.43 3.11 -1.70 0.15 116.57 118.72 2rqy h LYS 83 Ca 0.00 0.03 -0.15 0.00 -2.81 0.00 0.00 60.65 57.72 2rqy h LYS 83 Cb 0.49 0.11 -0.01 0.00 -1.00 0.00 0.00 32.23 31.82 2rqy h LYS 83 CO 0.00 -0.32 -0.36 -1.00 -2.81 0.00 0.00 179.45 174.96 2rqy h PRO 84 N -0.50 0.88 -0.18 1.90 0.13 -1.89 -2.89 132.00 129.46 2rqy h PRO 84 Ca 0.06 -0.47 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 2rqy h PRO 84 Cb 0.64 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.78 2rqy h PRO 84 CO -0.49 1.11 0.14 1.25 -0.23 0.00 0.00 178.00 179.78 2rqy h LEU 85 N 0.68 0.00 0.00 1.56 5.85 -1.64 0.15 115.31 121.92 2rqy h LEU 85 Ca 0.06 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.78 2rqy h LEU 85 Cb 0.95 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.98 2rqy h LEU 85 CO 0.09 0.00 -0.53 0.00 -0.34 0.00 0.00 178.44 177.66 2rqy h ALA 86 N 1.88 0.65 -0.71 1.25 0.00 -0.57 -3.31 119.26 118.45 2rqy h ALA 86 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 54.91 54.68 2rqy h ALA 86 Cb 0.36 0.00 -0.19 0.00 0.00 0.00 0.00 17.79 17.96 2rqy h ALA 86 CO -0.00 0.00 0.40 0.72 0.00 0.00 0.00 179.25 180.37 2rqy n HIS 87 N -2.15 2.23 -2.47 0.00 8.25 0.52 -4.86 115.22 116.74 2rqy n HIS 87 Ca 0.04 -1.34 -0.08 0.00 -0.26 0.00 0.00 57.72 56.07 2rqy n HIS 87 Cb 0.44 -0.72 0.04 0.00 1.12 0.00 0.00 29.99 30.87 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 -0.51 -1.36 -3.24 4.41 -0.00 -1.21 -5.02 115.22 108.29 2rqy n HIS 88 Ca 0.41 0.48 -0.25 0.00 -0.00 0.00 0.00 57.72 58.36 2rqy n HIS 88 Cb 1.33 -3.41 -0.08 0.00 -0.00 0.00 0.00 29.99 27.83 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 -2.46 -0.52 -2.05 3.57 5.41 -1.11 -5.02 119.36 117.18 2rqy n ILE 89 Ca -0.04 -4.03 -0.39 0.00 1.00 0.00 0.00 62.75 59.28 2rqy n ILE 89 Cb 0.57 -1.93 -0.03 0.00 -0.71 0.00 0.00 39.64 37.53 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 -1.12 2.79 -1.29 0.38 0.04 -1.26 -3.76 135.00 130.78 2rqy s PRO 90 Ca 0.35 0.77 -0.16 0.00 0.04 0.00 0.00 61.00 61.99 2rqy s PRO 90 Cb 0.15 -4.34 0.16 0.00 0.04 0.00 0.00 34.50 30.52 2rqy s PRO 90 CO -0.11 -2.53 0.41 1.55 0.04 0.00 0.00 177.00 176.36 2rqy n VAL 91 N 7.24 0.00 -0.05 -0.36 3.14 -1.26 -4.74 118.33 122.30 2rqy n VAL 91 Ca 0.21 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.58 2rqy n VAL 91 Cb 0.51 -0.34 -0.15 0.00 -1.06 0.00 0.00 33.84 32.80 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 -3.55 0.86 -0.00 1.45 2.13 -1.25 -4.38 120.64 115.90 2rqy n GLU 92 Ca 0.08 -0.08 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2rqy n GLU 92 Cb 0.46 -1.46 -0.13 0.00 0.27 0.00 0.00 31.44 30.59 2rqy n GLU 92 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 2rqy n LYS 93 N -2.44 0.68 0.51 5.31 -0.00 -1.26 -0.00 118.16 120.95 2rqy n LYS 93 Ca -0.18 -0.07 -0.20 0.00 -0.00 0.00 0.00 58.31 57.86 2rqy n LYS 93 Cb 0.83 -1.42 -0.09 0.00 -0.00 0.00 0.00 35.03 34.34 2rqy n LYS 93 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.40 178.22 2rqy h ILE 94 N 0.00 0.00 0.00 0.58 1.08 -1.91 -3.19 117.51 114.06 2rqy h ILE 94 Ca 0.00 -0.02 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2rqy h ILE 94 Cb 0.63 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.38 2rqy h ILE 94 CO 0.00 0.00 -0.50 0.00 -0.69 0.00 0.00 178.15 176.96 2rqy h GLU 96 N 0.00 -0.57 0.15 0.00 4.39 -1.76 0.32 114.58 117.11 2rqy h GLU 96 Ca 0.00 0.04 -0.34 0.00 0.34 0.00 0.00 59.36 59.40 2rqy h GLU 96 Cb 0.50 0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.27 2rqy h GLU 96 CO 0.00 -0.38 -1.77 -0.22 -1.16 0.00 0.00 179.01 175.48 2rqy h LYS 97 N -0.59 0.31 -0.10 2.33 3.64 -0.65 -3.32 116.57 118.19 2rqy h LYS 97 Ca 0.03 -0.53 0.03 0.00 -1.27 0.00 0.00 60.65 58.91 2rqy h LYS 97 Cb 0.68 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 32.70 2rqy h LYS 97 CO -0.44 1.20 0.16 1.25 -2.27 0.00 0.00 179.45 179.36 2rqy h LEU 98 N 0.08 0.00 -2.43 5.20 6.46 -1.53 -0.25 115.31 122.84 2rqy h LEU 98 Ca -0.34 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2rqy h LEU 98 Cb 2.06 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 41.99 2rqy h LEU 98 CO 0.15 0.00 0.11 0.50 -0.62 0.00 0.00 178.44 178.58 2rqy h LYS 99 N 0.00 0.00 0.00 1.25 3.11 -0.45 0.36 116.57 120.84 2rqy h LYS 99 Ca 0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.89 2rqy h LYS 99 Cb 0.36 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.59 2rqy h LYS 99 CO -0.00 0.00 0.00 1.63 -2.81 0.00 0.00 179.45 178.27 2rqy n LYS 100 N -3.61 0.40 0.00 1.90 5.02 -0.11 -3.52 118.16 118.25 2rqy n LYS 100 Ca -0.01 0.05 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 2rqy n LYS 100 Cb 0.21 -1.50 0.00 0.00 -0.02 0.00 0.00 35.03 33.72 2rqy n LYS 100 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2rqy n LYS 101 N -1.25 0.00 -3.45 1.97 4.01 0.10 -4.98 118.16 114.55 2rqy n LYS 101 Ca 0.13 0.00 -0.26 0.00 -0.51 0.00 0.00 58.31 57.66 2rqy n LYS 101 Cb 0.18 -0.69 -0.12 0.00 -0.51 0.00 0.00 35.03 33.90 2rqy n LYS 101 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2rqy s ASP 102 N -4.60 2.66 0.53 4.39 1.11 0.25 -4.97 116.67 116.04 2rqy s ASP 102 Ca 0.00 -1.83 0.33 0.00 0.18 0.00 0.00 52.55 51.23 2rqy s ASP 102 Cb 0.00 -0.16 1.38 0.00 1.07 0.00 0.00 42.92 45.21 2rqy s ASP 102 CO 0.00 -0.33 1.98 0.77 1.18 0.00 0.00 175.17 178.77 2rqy h SER 103 N 7.35 0.00 0.53 0.27 4.64 -1.78 -2.43 113.55 122.14 2rqy h SER 103 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2rqy h SER 103 Cb 1.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2rqy h SER 103 CO 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.25 2rqy n GLN 104 N -3.01 0.04 -0.32 4.77 10.64 -1.26 -3.41 117.38 124.83 2rqy n GLN 104 Ca 0.01 0.30 0.20 0.00 -1.83 0.00 0.00 57.00 55.67 2rqy n GLN 104 Cb 0.29 -1.58 0.40 0.00 -0.86 0.00 0.00 30.24 28.49 2rqy n GLN 104 CO 0.00 0.00 0.00 0.97 -1.83 0.00 0.00 177.06 176.20 2rqy h ILE 105 N 0.00 0.21 0.19 -0.39 2.10 -1.83 0.36 117.51 118.15 2rqy h ILE 105 Ca 0.00 -0.06 -0.01 0.00 1.08 0.00 0.00 64.86 65.87 2rqy h ILE 105 Cb 0.27 0.01 0.00 0.00 -1.09 0.00 0.00 36.82 36.01 2rqy h ILE 105 CO 0.00 0.03 -0.09 0.00 -1.08 0.00 0.00 178.15 177.01 2rqy h GLU 107 N -0.96 -0.29 -3.96 0.00 5.08 -1.43 -3.45 114.58 109.56 2rqy h GLU 107 Ca -0.03 0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 2rqy h GLU 107 Cb 0.45 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2rqy h GLU 107 CO 0.04 -0.19 -0.33 -0.11 -1.00 0.00 0.00 179.01 177.42 2rqy n LEU 108 N -3.57 -1.19 0.00 1.33 7.94 0.11 -4.89 117.00 116.74 2rqy n LEU 108 Ca -0.03 0.15 0.00 0.00 -1.11 0.00 0.00 56.01 55.02 2rqy n LEU 108 Cb 0.16 -2.15 0.00 0.00 0.53 0.00 0.00 43.42 41.96 2rqy n LEU 108 CO 0.06 -0.10 0.20 0.29 -1.11 0.00 0.00 177.39 176.73 2rqy n LYS 109 N -2.88 0.00 -1.96 1.96 5.02 -1.26 -4.27 118.16 114.77 2rqy n LYS 109 Ca -0.14 0.27 -0.35 0.00 -2.02 0.00 0.00 58.31 56.07 2rqy n LYS 109 Cb 0.61 -1.03 0.04 0.00 -0.02 0.00 0.00 35.03 34.62 2rqy n LYS 109 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 2rqy n TYR 110 N -1.32 3.10 0.00 2.13 9.36 -1.26 -4.73 117.16 124.45 2rqy n TYR 110 Ca 0.00 -2.60 0.00 0.00 3.32 0.00 0.00 57.90 58.62 2rqy n TYR 110 Cb 0.00 -0.93 0.00 0.00 -0.63 0.00 0.00 39.34 37.78 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 -0.60 0.00 -3.25 2.98 2.03 -1.26 -4.91 116.55 111.55 2rqy n ASP 111 Ca 0.51 0.29 -0.20 0.00 0.52 0.00 0.00 54.79 55.91 2rqy n ASP 111 Cb 0.44 -0.41 -0.07 0.00 -0.72 0.00 0.00 41.12 40.36 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 -0.82 0.86 0.18 -0.67 2.20 -1.26 -5.13 119.74 115.10 2rqy s LYS 112 Ca 0.00 -1.55 0.08 0.00 -0.36 0.00 0.00 55.97 54.14 2rqy s LYS 112 Cb 0.00 -0.95 -0.04 0.00 -1.51 0.00 0.00 37.83 35.33 2rqy s LYS 112 CO 0.00 -1.32 -0.17 -0.65 -0.36 0.00 0.00 175.35 172.85 2rqy s GLN 113 N 0.61 1.31 0.39 4.03 -0.21 -1.26 -4.88 119.66 119.65 2rqy s GLN 113 Ca 0.28 -1.48 -0.25 0.00 0.02 0.00 0.00 55.36 53.93 2rqy s GLN 113 Cb -0.03 -1.29 -0.09 0.00 1.00 0.00 0.00 33.01 32.60 2rqy s GLN 113 CO -0.11 0.25 1.09 -1.50 -2.12 0.00 0.00 175.29 172.89 2rqy s ILE 114 N -2.34 3.53 -1.14 1.08 -1.16 -1.26 -4.91 121.20 115.00 2rqy s ILE 114 Ca 0.18 1.24 -0.21 0.00 -0.51 0.00 0.00 60.65 61.36 2rqy s ILE 114 Cb -0.04 -3.68 -0.06 0.00 0.61 0.00 0.00 42.46 39.29 2rqy s ILE 114 CO 0.07 0.07 1.91 -0.67 -2.81 0.00 0.00 174.94 173.52 2rqy n ASP 115 N 0.11 3.39 -0.02 4.50 -0.08 -1.26 -4.41 116.55 118.77 2rqy n ASP 115 Ca 0.04 -2.75 -0.06 0.00 -1.51 0.00 0.00 54.79 50.51 2rqy n ASP 115 Cb 0.48 -1.60 -0.02 0.00 2.34 0.00 0.00 41.12 42.32 2rqy n ASP 115 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21 2rqy n LEU 116 N 11.07 1.04 0.00 -2.67 7.94 -1.26 -5.08 117.00 128.04 2rqy n LEU 116 Ca 0.47 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 55.53 2rqy n LEU 116 Cb 0.45 -0.38 0.00 0.00 0.53 0.00 0.00 43.42 44.02 2rqy n LEU 116 CO 0.79 -0.21 0.00 -1.20 -1.11 0.00 0.00 177.39 175.66 2rqy n SER 117 N -3.63 0.00 0.00 1.96 7.64 -1.26 -5.04 113.62 113.29 2rqy n SER 117 Ca -0.11 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.77 2rqy n SER 117 Cb 0.40 0.18 0.00 0.00 -1.01 0.00 0.00 64.21 63.77 2rqy n SER 117 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2rqy n THR 118 N -1.78 0.00 -3.85 0.44 -2.24 -1.26 -5.09 114.28 100.50 2rqy n THR 118 Ca 0.00 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.42 2rqy n THR 118 Cb 0.00 0.00 -0.13 0.00 -2.10 0.00 0.00 70.33 68.10 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 -1.03 3.31 0.00 2.28 -7.23 -1.26 -4.88 120.40 111.59 2rqy s VAL 119 Ca 0.00 -1.20 0.00 0.00 -1.81 0.00 0.00 61.98 58.97 2rqy s VAL 119 Cb 0.00 -2.85 0.00 0.00 0.56 0.00 0.00 36.38 34.09 2rqy s VAL 119 CO 0.00 -0.07 0.00 0.47 -0.31 0.00 0.00 175.10 175.19 2rqy n ASP 120 N 4.71 2.15 0.23 4.85 8.00 -1.26 -4.21 116.55 131.02 2rqy n ASP 120 Ca -0.13 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.49 2rqy n ASP 120 Cb 0.45 0.01 0.30 0.00 -0.02 0.00 0.00 41.12 41.85 2rqy n ASP 120 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2rqy h LEU 121 N 0.00 0.00 0.00 0.64 6.46 -1.89 -2.89 115.31 117.63 2rqy h LEU 121 Ca 0.00 0.00 -0.17 0.00 -0.12 0.00 0.00 57.88 57.59 2rqy h LEU 121 Cb 0.53 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 2rqy h LEU 121 CO 0.00 0.05 -1.71 2.29 -0.62 0.00 0.00 178.44 178.45 2rqy n LYS 122 N -3.12 2.01 -0.78 1.25 2.85 -1.26 -4.49 118.16 114.62 2rqy n LYS 122 Ca 0.03 -0.02 -0.04 0.00 -1.05 0.00 0.00 58.31 57.23 2rqy n LYS 122 Cb 0.49 -1.28 0.24 0.00 -0.65 0.00 0.00 35.03 33.83 2rqy n LYS 122 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 2rqy n LYS 123 N -2.33 3.16 -1.26 -1.58 4.01 -1.24 -4.67 118.16 114.24 2rqy n LYS 123 Ca -0.16 -2.33 -0.30 0.00 -0.51 0.00 0.00 58.31 55.01 2rqy n LYS 123 Cb 0.78 -2.01 -0.07 0.00 -0.51 0.00 0.00 35.03 33.22 2rqy n LYS 123 CO 0.00 0.00 0.00 -0.11 -1.11 0.00 0.00 177.40 176.18 2rqy n LEU 124 N -0.00 7.51 0.04 -0.35 7.94 -1.09 -1.84 117.00 129.20 2rqy n LEU 124 Ca 0.30 -4.01 0.00 0.00 -1.11 0.00 0.00 56.01 51.19 2rqy n LEU 124 Cb 1.13 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 43.59 2rqy n LEU 124 CO 0.33 1.94 0.00 -1.14 -1.11 0.00 0.00 177.39 177.41 2rqy n ARG 125 N 3.01 0.00 0.00 1.96 0.63 -1.26 -4.99 116.66 116.01 2rqy n ARG 125 Ca 0.65 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2rqy n ARG 125 Cb 0.47 -0.05 0.00 0.00 0.45 0.00 0.00 32.46 33.32 2rqy n ARG 125 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 2rqy n VAL 126 N -2.85 0.00 0.09 5.15 0.31 -1.26 -4.78 118.33 115.00 2rqy n VAL 126 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 2rqy n VAL 126 Cb 0.00 -0.26 0.43 0.00 -0.91 0.00 0.00 33.84 33.09 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 0.32 -0.54 5.55 1.63 -1.97 -2.09 116.57 119.47 2rqy h LYS 127 Ca 0.00 -0.05 -0.04 0.00 -0.85 0.00 0.00 60.65 59.71 2rqy h LYS 127 Cb 0.44 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 31.98 2rqy h LYS 127 CO 0.00 0.34 0.16 1.05 -3.45 0.00 0.00 179.45 177.54 2rqy h GLU 128 N 0.31 0.80 0.46 1.90 4.11 -1.67 -0.80 114.58 119.69 2rqy h GLU 128 Ca 0.07 -0.15 -0.02 0.00 0.07 0.00 0.00 59.36 59.34 2rqy h GLU 128 Cb 0.19 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.32 2rqy h GLU 128 CO 0.00 0.70 -0.22 1.25 0.07 0.00 0.00 179.01 180.82 2rqy h LEU 129 N 0.78 -0.52 -2.15 3.06 5.85 -1.69 0.31 115.31 120.96 2rqy h LEU 129 Ca 0.18 0.02 0.06 0.00 0.84 0.00 0.00 57.88 58.98 2rqy h LEU 129 Cb 0.24 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2rqy h LEU 129 CO -0.01 -0.11 0.29 0.07 -0.34 0.00 0.00 178.44 178.35 2rqy h LYS 130 N -1.14 0.00 0.00 1.25 5.09 -1.48 0.26 116.57 120.55 2rqy h LYS 130 Ca -0.06 0.00 -0.02 0.00 0.09 0.00 0.00 60.65 60.66 2rqy h LYS 130 Cb 0.47 0.00 -0.00 0.00 0.10 0.00 0.00 32.23 32.80 2rqy h LYS 130 CO 0.10 0.00 -0.37 0.87 -2.09 0.00 0.00 179.45 177.97 2rqy h LYS 131 N 0.00 0.00 -0.74 0.07 1.79 -1.11 -3.29 116.57 113.29 2rqy h LYS 131 Ca 0.10 0.00 0.11 0.00 -2.18 0.00 0.00 60.65 58.68 2rqy h LYS 131 Cb 0.68 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.28 2rqy h LYS 131 CO -0.00 0.13 0.49 0.82 -1.08 0.00 0.00 179.45 179.81 2rqy h ILE 132 N -1.00 0.89 -0.18 1.86 2.04 -0.04 0.66 117.51 121.74 2rqy h ILE 132 Ca -0.03 -0.20 -0.04 0.00 1.00 0.00 0.00 64.86 65.60 2rqy h ILE 132 Cb 0.42 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.76 2rqy h ILE 132 CO -0.02 0.11 -0.06 0.25 0.00 0.00 0.00 178.15 178.43 2rqy h LEU 133 N 0.58 0.26 0.00 1.44 6.46 -0.67 -2.26 115.31 121.12 2rqy h LEU 133 Ca 0.35 -0.04 -0.15 0.00 -0.12 0.00 0.00 57.88 57.92 2rqy h LEU 133 Cb 0.57 -0.07 -0.02 0.00 -0.73 0.00 0.00 40.66 40.41 2rqy h LEU 133 CO -0.12 0.36 -0.98 -0.78 -0.62 0.00 0.00 178.44 176.30 2rqy h ASP 134 N 0.27 0.00 -0.35 1.25 1.82 -1.00 -3.29 116.42 115.12 2rqy h ASP 134 Ca 0.06 0.00 -0.01 0.00 -0.39 0.00 0.00 57.03 56.69 2rqy h ASP 134 Cb 0.28 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2rqy h ASP 134 CO 0.01 0.61 0.21 -0.78 -1.61 0.00 0.00 179.24 177.68 2rqy h ASP 135 N 0.00 0.44 1.40 2.28 1.82 -0.53 -1.62 116.42 120.22 2rqy h ASP 135 Ca -0.08 -0.02 -0.12 0.00 -0.39 0.00 0.00 57.03 56.42 2rqy h ASP 135 Cb 1.53 -0.11 -0.02 0.00 0.68 0.00 0.00 39.33 41.42 2rqy h ASP 135 CO 0.07 0.36 -0.60 -0.50 -1.61 0.00 0.00 179.24 176.95 2rqy h TRP 136 N 0.51 0.00 0.00 0.28 -0.00 -1.62 -3.49 115.95 111.64 2rqy h TRP 136 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 2rqy h TRP 136 Cb 0.01 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.17 2rqy h TRP 136 CO 0.00 0.56 0.00 0.41 -0.00 0.00 0.00 178.44 179.41 2rqy n GLY 137 N 1.25 1.25 3.05 1.49 0.00 -0.61 -5.16 105.19 106.45 2rqy n GLY 137 Ca 0.01 -0.69 -0.15 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.15 0.58 0.07 1.61 0.41 -1.25 -4.98 118.70 114.98 2rqy s GLU 138 Ca 0.00 -0.58 -0.06 0.00 -0.41 0.00 0.00 54.97 53.92 2rqy s GLU 138 Cb 0.00 -0.46 -0.01 0.00 -1.78 0.00 0.00 34.13 31.88 2rqy s GLU 138 CO 0.00 0.11 0.13 -1.64 -0.49 0.00 0.00 175.26 173.36 2rqy s MET 139 N -1.03 0.76 0.09 1.61 -1.94 -1.26 -4.92 119.30 112.61 2rqy s MET 139 Ca -0.04 -1.01 -0.25 0.00 -1.71 0.00 0.00 55.69 52.69 2rqy s MET 139 Cb -0.07 0.30 0.07 0.00 2.01 0.00 0.00 34.83 37.14 2rqy s MET 139 CO 0.00 -0.22 0.60 0.00 -0.01 0.00 0.00 175.02 175.40 2rqy h LYS 141 N 2.37 0.00 0.00 0.00 1.57 -2.09 -3.42 116.57 115.00 2rqy h LYS 141 Ca -0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 2rqy h LYS 141 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 2rqy h LYS 141 CO 0.39 0.25 0.00 0.41 -0.57 0.00 0.00 179.45 179.93 2rqy n GLY 142 N -0.29 0.00 3.25 3.86 0.00 -1.26 -5.17 105.19 105.59 2rqy n GLY 142 Ca -0.01 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.13 -3.74 -0.02 0.00 0.00 -1.26 -4.83 121.76 110.77 2rqy s ALA 144 Ca 0.05 1.35 -0.10 0.00 0.00 0.00 0.00 51.96 53.26 2rqy s ALA 144 Cb -0.10 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.31 2rqy s ALA 144 CO 0.03 -1.91 0.22 -1.21 0.00 0.00 0.00 175.76 172.89 2rqy s GLU 145 N 2.94 0.51 0.12 0.00 2.02 -1.26 -5.04 118.70 117.99 2rqy s GLU 145 Ca 0.19 -0.17 -0.28 0.00 0.02 0.00 0.00 54.97 54.72 2rqy s GLU 145 Cb -0.05 0.22 -0.06 0.00 0.10 0.00 0.00 34.13 34.34 2rqy s GLU 145 CO -0.20 -0.12 1.60 -0.22 0.02 0.00 0.00 175.26 176.33 2rqy h LYS 146 N 4.44 -0.50 -0.35 1.61 3.64 -2.00 0.60 116.57 124.00 2rqy h LYS 146 Ca -0.29 0.03 0.10 0.00 -1.27 0.00 0.00 60.65 59.22 2rqy h LYS 146 Cb 1.19 0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 33.11 2rqy h LYS 146 CO 0.39 -0.33 0.33 0.77 -2.27 0.00 0.00 179.45 178.34 2rqy h SER 147 N -0.52 0.00 -0.07 4.20 0.02 -1.99 0.12 113.55 115.31 2rqy h SER 147 Ca 0.06 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.85 2rqy h SER 147 Cb 0.61 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 2rqy h SER 147 CO -0.30 0.00 -0.48 -0.78 -1.14 0.00 0.00 176.83 174.13 2rqy h ASP 148 N 0.00 0.68 0.06 3.07 3.58 -1.31 -2.94 116.42 119.57 2rqy h ASP 148 Ca 0.17 -0.34 -0.21 0.00 0.42 0.00 0.00 57.03 57.07 2rqy h ASP 148 Cb 0.83 -0.19 0.02 0.00 1.72 0.00 0.00 39.33 41.71 2rqy h ASP 148 CO -0.00 1.05 -0.85 1.88 -2.88 0.00 0.00 179.24 178.44 2rqy h TYR 149 N 0.50 0.74 -0.19 0.28 0.05 -0.16 -2.58 116.97 115.61 2rqy h TYR 149 Ca 0.03 -0.45 0.05 0.00 0.05 0.00 0.00 58.73 58.41 2rqy h TYR 149 Cb 1.02 -0.07 -0.07 0.00 1.01 0.00 0.00 36.73 38.63 2rqy h TYR 149 CO 0.05 1.29 -0.28 0.82 -1.05 0.00 0.00 178.16 178.99 2rqy h ILE 150 N -0.02 0.34 0.00 -2.88 2.04 -1.24 0.19 117.51 115.94 2rqy h ILE 150 Ca -0.12 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.67 2rqy h ILE 150 Cb 1.58 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.99 2rqy h ILE 150 CO 0.17 0.00 -0.32 0.03 0.00 0.00 0.00 178.15 178.02 2rqy h ARG 151 N -0.32 0.00 0.54 2.37 2.47 -1.63 -0.90 114.38 116.91 2rqy h ARG 151 Ca 0.12 0.00 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 2rqy h ARG 151 Cb 0.50 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 28.82 2rqy h ARG 151 CO -0.37 0.32 -0.26 0.87 0.56 0.00 0.00 179.97 181.09 2rqy h LYS 152 N 0.00 -0.70 -0.25 0.04 1.79 -0.68 -3.01 116.57 113.76 2rqy h LYS 152 Ca -0.00 0.05 -0.08 0.00 -2.18 0.00 0.00 60.65 58.43 2rqy h LYS 152 Cb 0.71 0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 31.50 2rqy h LYS 152 CO 0.04 -0.40 -0.20 0.82 -1.08 0.00 0.00 179.45 178.62 2rqy h ILE 153 N -1.09 1.25 -0.77 1.86 1.08 -0.72 -2.72 117.51 116.40 2rqy h ILE 153 Ca -0.07 -1.15 0.15 0.00 -0.39 0.00 0.00 64.86 63.40 2rqy h ILE 153 Cb 0.62 1.28 -0.05 0.00 -3.07 0.00 0.00 36.82 35.60 2rqy h ILE 153 CO 0.12 0.37 0.51 0.78 -0.69 0.00 0.00 178.15 179.24 2rqy h ASN 154 N 0.41 0.40 1.25 1.72 -0.26 -1.19 0.36 115.58 118.27 2rqy h ASN 154 Ca 0.07 0.02 -0.08 0.00 -0.56 0.00 0.00 56.30 55.76 2rqy h ASN 154 Cb 0.59 -0.05 -0.01 0.00 -1.06 0.00 0.00 38.32 37.78 2rqy h ASN 154 CO 0.04 0.20 -0.36 -0.33 -1.06 0.00 0.00 177.43 175.93 2rqy h GLU 155 N 0.42 0.00 -0.35 0.81 5.08 -1.34 -3.10 114.58 116.10 2rqy h GLU 155 Ca 0.38 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.74 2rqy h GLU 155 Cb 0.87 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2rqy h GLU 155 CO -0.12 0.36 0.00 1.28 -1.00 0.00 0.00 179.01 179.52 2rqy n LEU 156 N -3.31 4.19 0.17 1.33 7.99 0.89 -4.70 117.00 123.56 2rqy n LEU 156 Ca 0.01 -2.86 -0.16 0.00 -0.01 0.00 0.00 56.01 52.99 2rqy n LEU 156 Cb 0.59 -0.54 -0.09 0.00 -0.11 0.00 0.00 43.42 43.26 2rqy n LEU 156 CO 0.37 0.68 0.52 0.24 -1.51 0.00 0.00 177.39 177.69 2rqy h MET 157 N 2.38 -0.78 -3.84 3.23 2.86 -0.40 -2.53 114.93 115.85 2rqy h MET 157 Ca 0.00 0.05 -0.43 0.00 -2.06 0.00 0.00 59.70 57.26 2rqy h MET 157 Cb 1.47 0.18 0.03 0.00 0.06 0.00 0.00 31.60 33.34 2rqy h MET 157 CO 0.25 -0.52 2.34 -0.35 1.06 0.00 0.00 176.91 179.70 2rqy n PRO 158 N -5.30 1.67 0.00 -0.22 -0.04 -1.26 -1.41 135.00 128.44 2rqy n PRO 158 Ca -0.09 -1.47 0.00 0.00 -0.04 0.00 0.00 63.50 61.89 2rqy n PRO 158 Cb 0.41 -2.55 0.00 0.00 -0.04 0.00 0.00 33.50 31.32 2rqy n PRO 158 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2rqy n LYS 159 N 5.20 0.00 0.13 0.54 5.02 -1.19 -4.93 118.16 122.94 2rqy n LYS 159 Ca 0.42 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.83 2rqy n LYS 159 Cb 0.21 0.00 0.06 0.00 -0.02 0.00 0.00 35.03 35.27 2rqy n LYS 159 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2rqy h TYR 160 N 0.00 0.00 -0.68 2.13 -1.99 -1.47 -3.40 116.97 111.55 2rqy h TYR 160 Ca 0.00 0.00 -0.34 0.00 2.00 0.00 0.00 58.73 60.39 2rqy h TYR 160 Cb 0.00 0.00 -0.23 0.00 2.00 0.00 0.00 36.73 38.50 2rqy h TYR 160 CO 0.00 0.00 -0.70 0.00 -0.00 0.00 0.00 178.16 177.46 2rqy n ALA 161 N -2.14 -0.10 -1.19 3.88 0.00 -0.50 -5.07 120.51 115.40 2rqy n ALA 161 Ca 0.01 -2.08 -0.29 0.00 0.00 0.00 0.00 53.44 51.08 2rqy n ALA 161 Cb 0.54 -1.16 0.16 0.00 0.00 0.00 0.00 19.45 18.99 2rqy n ALA 161 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2rqy s PRO 162 N 0.05 0.88 0.51 0.00 0.04 -0.92 -4.41 135.00 131.14 2rqy s PRO 162 Ca 0.33 0.69 0.00 0.00 0.04 0.00 0.00 61.00 62.06 2rqy s PRO 162 Cb 0.21 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.97 2rqy s PRO 162 CO -0.20 -2.47 0.00 1.17 0.04 0.00 0.00 177.00 175.54 2rqy n LYS 163 N -4.02 -2.88 -2.96 4.56 0.00 -1.26 -4.80 118.16 106.79 2rqy n LYS 163 Ca 0.06 2.30 -0.20 0.00 0.00 0.00 0.00 58.31 60.47 2rqy n LYS 163 Cb 0.56 -3.39 0.01 0.00 0.00 0.00 0.00 35.03 32.20 2rqy n LYS 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2rqy n ALA 164 N -3.77 -0.94 0.00 3.14 0.00 -1.26 -4.38 120.51 113.30 2rqy n ALA 164 Ca -0.07 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2rqy n ALA 164 Cb 0.60 -2.67 0.00 0.00 0.00 0.00 0.00 19.45 17.38 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 -3.08 0.00 0.07 0.00 0.00 -1.26 -4.90 120.51 111.35 2rqy n ALA 165 Ca -0.09 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.25 2rqy n ALA 165 Cb 0.59 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.03 2rqy n ALA 165 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2rqy h SER 166 N 0.00 0.39 1.27 0.00 0.02 -1.91 -3.21 113.55 110.10 2rqy h SER 166 Ca 0.00 -0.30 -0.04 0.00 -0.84 0.00 0.00 61.79 60.61 2rqy h SER 166 Cb 0.00 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.42 2rqy h SER 166 CO 0.00 1.08 -0.75 0.00 -1.14 0.00 0.00 176.83 176.02 2rqy h ALA 167 N 0.90 0.67 -1.88 3.77 0.00 -1.92 -3.41 119.26 117.39 2rqy h ALA 167 Ca -0.05 -0.19 -0.44 0.00 0.00 0.00 0.00 54.91 54.24 2rqy h ALA 167 Cb 1.48 0.04 0.23 0.00 0.00 0.00 0.00 17.79 19.53 2rqy h ALA 167 CO 0.14 0.22 -0.57 -2.13 0.00 0.00 0.00 179.25 176.90 2rqy n ARG 168 N -2.88 -2.24 0.26 0.00 0.63 -1.21 -4.85 116.66 106.36 2rqy n ARG 168 Ca -0.00 -0.63 0.12 0.00 -0.92 0.00 0.00 57.85 56.41 2rqy n ARG 168 Cb 0.61 -1.91 0.70 0.00 0.45 0.00 0.00 32.46 32.31 2rqy n ARG 168 CO 0.00 0.00 0.00 1.15 -2.51 0.00 0.00 177.63 176.27 2rqy h THR 169 N -2.47 0.60 -0.81 5.15 2.02 -1.91 -2.58 112.91 112.91 2rqy h THR 169 Ca -0.58 -0.58 0.23 0.00 0.77 0.00 0.00 66.41 66.26 2rqy h THR 169 Cb 1.34 1.37 -0.03 0.00 -1.74 0.00 0.00 68.15 69.09 2rqy h THR 169 CO 0.43 0.13 0.58 -0.78 0.37 0.00 0.00 175.52 176.25 2rqy h ASP 170 N 0.00 0.02 0.00 4.18 3.58 -1.89 -3.53 116.42 118.77 2rqy h ASP 170 Ca -0.00 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2rqy h ASP 170 Cb 0.36 -0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.41 2rqy h ASP 170 CO 0.02 0.01 0.00 -0.11 -2.88 0.00 0.00 179.24 176.27