#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2rqy n HIS 2 N 0.00 -3.70 -3.67 2.03 -0.00 -1.26 -4.99 115.22 103.64 2rqy n HIS 2 Ca 0.00 1.89 0.00 0.00 -0.00 0.00 0.00 57.72 59.61 2rqy n HIS 2 Cb 0.00 -3.36 0.00 0.00 -0.00 0.00 0.00 29.99 26.63 2rqy n HIS 2 CO 0.00 0.00 0.00 -2.39 -0.00 0.00 0.00 176.34 173.95 2rqy n HIS 3 N -4.28 -0.97 0.00 4.41 -0.00 -1.26 -5.05 115.22 108.07 2rqy n HIS 3 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.71 2rqy n HIS 3 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.66 2rqy n HIS 3 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2rqy n HIS 4 N -0.32 0.00 -1.56 -1.40 -0.00 -1.26 -5.14 115.22 105.53 2rqy n HIS 4 Ca 0.00 0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 2rqy n HIS 4 Cb 0.00 0.00 0.05 0.00 -0.00 0.00 0.00 29.99 30.04 2rqy n HIS 4 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2rqy n HIS 5 N -0.56 0.28 -3.64 1.57 -0.00 -1.26 -5.00 115.22 106.60 2rqy n HIS 5 Ca 0.00 0.44 -0.02 0.00 -0.00 0.00 0.00 57.72 58.14 2rqy n HIS 5 Cb 0.00 -2.07 -0.03 0.00 -0.00 0.00 0.00 29.99 27.89 2rqy n HIS 5 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2rqy s HIS 6 N -1.59 -0.02 0.34 1.57 2.46 -1.26 -5.19 115.29 111.59 2rqy s HIS 6 Ca 0.74 0.03 -0.18 0.00 0.47 0.00 0.00 55.06 56.12 2rqy s HIS 6 Cb -0.42 0.50 0.05 0.00 -0.13 0.00 0.00 32.58 32.57 2rqy s HIS 6 CO 0.49 -0.03 0.79 -1.58 -2.47 0.00 0.00 174.74 171.95 2rqy s HIS 7 N -1.46 0.03 0.12 3.88 5.04 -1.26 -5.19 115.29 116.45 2rqy s HIS 7 Ca 0.10 -0.62 -0.14 0.00 -1.54 0.00 0.00 55.06 52.86 2rqy s HIS 7 Cb -0.01 0.79 0.03 0.00 0.04 0.00 0.00 32.58 33.43 2rqy s HIS 7 CO -0.06 -1.42 0.35 0.96 -2.34 0.00 0.00 174.74 172.23 2rqy s ILE 8 N -2.75 0.09 -0.05 0.89 -4.36 -1.26 -5.18 121.20 108.58 2rqy s ILE 8 Ca 0.15 -0.73 -0.19 0.00 -0.26 0.00 0.00 60.65 59.61 2rqy s ILE 8 Cb -0.05 -1.22 0.06 0.00 1.25 0.00 0.00 42.46 42.50 2rqy s ILE 8 CO 0.10 -0.39 0.85 -1.84 0.24 0.00 0.00 174.94 173.89 2rqy n GLU 9 N -0.19 0.03 0.00 0.37 0.28 -1.26 -5.00 120.64 114.87 2rqy n GLU 9 Ca -0.16 -0.36 0.00 0.00 -0.16 0.00 0.00 57.16 56.49 2rqy n GLU 9 Cb 0.63 0.67 0.00 0.00 1.43 0.00 0.00 31.44 34.18 2rqy n GLU 9 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2rqy n GLY 10 N -0.62 3.11 1.00 -1.84 0.00 -1.26 -4.79 105.19 100.79 2rqy n GLY 10 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2rqy n GLY 10 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2rqy n ARG 11 N -1.36 0.00 -0.01 1.61 0.63 -1.26 -4.94 116.66 111.33 2rqy n ARG 11 Ca 0.00 -1.25 -0.01 0.00 -0.92 0.00 0.00 57.85 55.67 2rqy n ARG 11 Cb 0.00 -0.01 -0.00 0.00 0.45 0.00 0.00 32.46 32.90 2rqy n ARG 11 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2rqy n HIS 12 N 0.20 0.00 0.00 -0.14 -0.00 -1.26 -4.74 115.22 109.27 2rqy n HIS 12 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 2rqy n HIS 12 Cb 0.85 -0.06 0.00 0.00 -0.12 0.00 0.00 29.99 30.66 2rqy n HIS 12 CO 0.00 0.00 0.00 -1.33 0.46 0.00 0.00 176.34 175.47 2rqy n MET 13 N -2.79 0.00 -3.50 1.57 2.81 -1.26 -4.43 117.12 109.52 2rqy n MET 13 Ca -0.02 0.46 -0.40 0.00 -1.81 0.00 0.00 57.70 55.94 2rqy n MET 13 Cb 0.06 -1.27 -0.10 0.00 -0.71 0.00 0.00 33.22 31.20 2rqy n MET 13 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 2rqy s LEU 14 N -3.23 4.43 0.39 4.03 1.02 -1.26 -5.08 118.68 118.98 2rqy s LEU 14 Ca 0.00 -0.30 -0.01 0.00 0.02 0.00 0.00 54.13 53.84 2rqy s LEU 14 Cb 0.00 -2.20 -0.03 0.00 0.02 0.00 0.00 46.19 43.98 2rqy s LEU 14 CO 0.00 -0.24 0.61 -0.13 0.02 0.00 0.00 176.35 176.61 2rqy s ARG 15 N 1.82 3.46 -1.19 1.70 0.52 -1.26 -4.64 118.95 119.36 2rqy s ARG 15 Ca 0.08 -0.23 -0.23 0.00 -0.52 0.00 0.00 55.73 54.84 2rqy s ARG 15 Cb -0.17 -2.59 -0.09 0.00 0.52 0.00 0.00 34.95 32.62 2rqy s ARG 15 CO 0.11 0.03 1.93 -0.35 0.02 0.00 0.00 175.30 177.04 2rqy n PRO 16 N -1.92 1.60 0.00 3.54 -0.04 -1.26 -4.59 135.00 132.32 2rqy n PRO 16 Ca -0.03 -2.47 0.00 0.00 -0.04 0.00 0.00 63.50 60.96 2rqy n PRO 16 Cb 0.56 -3.73 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 2rqy n PRO 16 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2rqy n GLY 17 N 5.77 2.29 0.04 0.55 0.00 -1.26 -5.13 105.19 107.45 2rqy n GLY 17 Ca 0.45 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2rqy n GLY 17 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2rqy n ASP 18 N 0.00 0.00 -4.26 1.61 2.03 -1.26 -5.10 116.55 109.57 2rqy n ASP 18 Ca 0.00 0.00 -0.37 0.00 0.52 0.00 0.00 54.79 54.94 2rqy n ASP 18 Cb 0.00 0.01 -0.13 0.00 -0.72 0.00 0.00 41.12 40.28 2rqy n ASP 18 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2rqy n GLU 20 N 4.78 0.01 -1.18 0.00 2.13 -1.26 -5.04 120.64 120.07 2rqy n GLU 20 Ca -0.13 -0.07 0.02 0.00 0.66 0.00 0.00 57.16 57.64 2rqy n GLU 20 Cb 0.45 0.14 -0.01 0.00 0.27 0.00 0.00 31.44 32.29 2rqy n GLU 20 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2rqy n VAL 21 N -0.13 -1.97 -4.46 6.31 0.31 -1.26 -4.98 118.33 112.16 2rqy n VAL 21 Ca 0.01 1.05 -0.21 0.00 -0.01 0.00 0.00 64.34 65.17 2rqy n VAL 21 Cb 0.08 -1.73 -0.05 0.00 -0.91 0.00 0.00 33.84 31.23 2rqy n VAL 21 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2rqy n ILE 23 N -0.80 2.21 -0.02 0.00 -0.00 -1.26 -4.79 119.36 114.69 2rqy n ILE 23 Ca -0.09 -0.50 -0.11 0.00 -0.00 0.00 0.00 62.75 62.04 2rqy n ILE 23 Cb 0.47 -0.82 -0.06 0.00 -0.00 0.00 0.00 39.64 39.24 2rqy n ILE 23 CO 0.00 0.00 0.00 -1.28 -0.00 0.00 0.00 176.55 175.27 2rqy h SER 24 N 1.00 0.16 0.49 4.38 0.87 -1.96 -0.26 113.55 118.23 2rqy h SER 24 Ca -0.43 -0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 59.98 2rqy h SER 24 Cb 1.37 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.28 2rqy h SER 24 CO 0.53 0.26 -0.37 0.22 -0.53 0.00 0.00 176.83 176.94 2rqy h TYR 25 N 0.06 -0.99 -0.74 2.24 3.20 -1.88 0.30 116.97 119.16 2rqy h TYR 25 Ca 0.04 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.07 2rqy h TYR 25 Cb 0.14 0.37 -0.05 0.00 1.54 0.00 0.00 36.73 38.73 2rqy h TYR 25 CO -0.02 -0.52 0.50 1.25 -1.64 0.00 0.00 178.16 177.73 2rqy h LEU 26 N -0.82 0.29 -0.05 2.82 7.12 -1.93 0.42 115.31 123.16 2rqy h LEU 26 Ca -0.06 0.02 0.00 0.00 0.13 0.00 0.00 57.88 57.96 2rqy h LEU 26 Cb 0.68 -0.04 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 2rqy h LEU 26 CO 0.02 0.14 0.00 1.23 -0.13 0.00 0.00 178.44 179.70 2rqy h GLY 27 N 0.30 0.00 0.10 3.75 0.00 -0.51 -2.89 103.07 103.82 2rqy h GLY 27 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2rqy h GLY 27 CO -0.09 0.00 -1.83 -2.13 0.00 0.00 0.00 176.54 172.48 2rqy n ARG 28 N -2.60 0.61 -0.07 4.80 0.00 0.11 -3.95 116.66 115.56 2rqy n ARG 28 Ca 0.05 -0.16 -0.16 0.00 -0.00 0.00 0.00 57.85 57.58 2rqy n ARG 28 Cb 0.46 -1.55 -0.13 0.00 0.00 0.00 0.00 32.46 31.25 2rqy n ARG 28 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 2rqy h PHE 29 N 0.00 0.04 -0.11 -0.14 3.04 -0.51 -3.34 116.94 115.91 2rqy h PHE 29 Ca 0.00 -0.03 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 2rqy h PHE 29 Cb 0.96 -0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.46 2rqy h PHE 29 CO 0.00 1.14 -0.01 0.10 -2.02 0.00 0.00 178.31 177.52 2rqy h TYR 30 N -0.95 0.16 -0.10 0.41 -0.00 -1.73 -1.59 116.97 113.16 2rqy h TYR 30 Ca -0.10 -0.00 0.03 0.00 -0.00 0.00 0.00 58.73 58.66 2rqy h TYR 30 Cb 1.12 -0.05 -0.00 0.00 -0.00 0.00 0.00 36.73 37.79 2rqy h TYR 30 CO 0.23 0.19 0.08 0.37 -0.00 0.00 0.00 178.16 179.02 2rqy h GLN 31 N 0.16 0.00 0.22 0.10 4.15 -1.69 -1.83 115.11 116.22 2rqy h GLN 31 Ca 0.04 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.15 2rqy h GLN 31 Cb 0.14 0.00 0.04 0.00 0.21 0.00 0.00 27.48 27.87 2rqy h GLN 31 CO 0.00 0.00 -1.34 -0.44 -1.93 0.00 0.00 178.83 175.12 2rqy h ASP 32 N 0.00 0.80 -0.98 -0.69 3.32 -1.42 -2.70 116.42 114.76 2rqy h ASP 32 Ca 0.05 -0.91 0.01 0.00 0.02 0.00 0.00 57.03 56.20 2rqy h ASP 32 Cb 0.20 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.45 2rqy h ASP 32 CO -0.00 1.65 0.65 -0.07 -1.72 0.00 0.00 179.24 179.75 2rqy h LEU 33 N 0.09 1.13 0.00 1.55 3.38 -1.26 -1.14 115.31 119.05 2rqy h LEU 33 Ca -0.23 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2rqy h LEU 33 Cb 2.05 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 42.52 2rqy h LEU 33 CO 0.25 0.81 -0.02 0.29 0.09 0.00 0.00 178.44 179.87 2rqy n LYS 34 N -4.40 0.27 -0.87 1.13 5.02 -0.77 -3.05 118.16 115.49 2rqy n LYS 34 Ca 0.12 0.22 -0.11 0.00 -2.02 0.00 0.00 58.31 56.52 2rqy n LYS 34 Cb 0.02 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.16 2rqy n LYS 34 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2rqy n ASP 35 N -2.29 5.73 -3.51 4.39 2.03 -0.44 -4.73 116.55 117.72 2rqy n ASP 35 Ca 0.05 -2.69 -0.24 0.00 0.52 0.00 0.00 54.79 52.43 2rqy n ASP 35 Cb 0.43 -1.21 -0.02 0.00 -0.72 0.00 0.00 41.12 39.60 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 1.45 -2.73 -0.03 -0.67 0.63 -1.25 -4.77 116.66 109.28 2rqy n ARG 36 Ca 0.26 0.32 -0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2rqy n ARG 36 Cb 0.64 -4.97 -0.08 0.00 0.45 0.00 0.00 32.46 28.51 2rqy n ARG 36 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2rqy n ASP 37 N -2.21 2.54 -3.78 6.15 -0.08 -1.17 -5.03 116.55 112.97 2rqy n ASP 37 Ca 0.02 0.00 -0.13 0.00 -1.51 0.00 0.00 54.79 53.17 2rqy n ASP 37 Cb 0.51 1.07 -0.09 0.00 2.34 0.00 0.00 41.12 44.95 2rqy n ASP 37 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 2rqy s VAL 38 N -2.46 0.05 0.32 5.18 1.01 -1.17 -4.94 120.40 118.38 2rqy s VAL 38 Ca -0.04 -0.42 -0.23 0.00 0.00 0.00 0.00 61.98 61.29 2rqy s VAL 38 Cb 0.05 -0.56 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2rqy s VAL 38 CO 0.43 -0.23 0.88 -0.89 0.00 0.00 0.00 175.10 175.28 2rqy s THR 39 N -1.07 4.36 -1.31 3.92 2.01 -1.26 -4.55 115.64 117.74 2rqy s THR 39 Ca -0.11 1.57 -0.08 0.00 0.31 0.00 0.00 61.69 63.37 2rqy s THR 39 Cb -0.05 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.50 2rqy s THR 39 CO 0.03 0.05 2.75 0.49 -0.69 0.00 0.00 174.62 177.25 2rqy n PHE 40 N 0.30 1.95 -4.33 4.92 3.72 -1.26 -4.20 117.46 118.56 2rqy n PHE 40 Ca 0.02 -2.66 -0.29 0.00 -0.05 0.00 0.00 57.45 54.48 2rqy n PHE 40 Cb 0.51 -2.19 -0.11 0.00 -0.94 0.00 0.00 39.48 36.75 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 2.51 3.80 0.00 4.37 0.01 -1.26 -4.30 113.70 118.83 2rqy s SER 41 Ca 0.61 -0.64 0.14 0.00 1.31 0.00 0.00 55.95 57.38 2rqy s SER 41 Cb 0.17 -0.49 0.68 0.00 0.21 0.00 0.00 66.02 66.59 2rqy s SER 41 CO -0.05 0.16 1.43 -0.81 0.41 0.00 0.00 173.24 174.38 2rqy n PRO 42 N 0.61 0.11 -0.04 12.44 -0.04 -1.24 -1.59 135.00 145.25 2rqy n PRO 42 Ca -0.15 0.20 -0.04 0.00 -0.04 0.00 0.00 63.50 63.47 2rqy n PRO 42 Cb 0.54 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.45 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 -1.38 1.83 0.21 0.55 0.00 -1.26 -4.02 120.51 116.43 2rqy n ALA 43 Ca 0.05 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.21 2rqy n ALA 43 Cb 0.14 0.22 0.28 0.00 0.00 0.00 0.00 19.45 20.09 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 0.41 0.06 0.00 2.02 -1.82 -2.80 112.91 110.79 2rqy h THR 44 Ca -0.18 -1.32 -0.36 0.00 0.77 0.00 0.00 66.41 65.33 2rqy h THR 44 Cb 1.33 1.99 -0.04 0.00 -1.74 0.00 0.00 68.15 69.69 2rqy h THR 44 CO -0.01 0.21 -2.08 -0.38 0.37 0.00 0.00 175.52 173.63 2rqy n ILE 45 N -3.22 1.65 0.30 3.11 5.41 -0.62 -4.09 119.36 121.90 2rqy n ILE 45 Ca 0.02 -0.68 0.17 0.00 1.00 0.00 0.00 62.75 63.25 2rqy n ILE 45 Cb 0.53 -1.42 0.67 0.00 -0.71 0.00 0.00 39.64 38.71 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 0.04 0.00 0.00 0.38 -0.00 -1.69 -0.38 114.58 112.93 2rqy h GLU 46 Ca -0.44 0.00 -0.11 0.00 -0.00 0.00 0.00 59.36 58.81 2rqy h GLU 46 Cb 2.02 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 30.76 2rqy h GLU 46 CO 0.04 0.00 -0.54 1.05 -0.00 0.00 0.00 179.01 179.57 2rqy h GLU 47 N 0.00 0.00 0.00 1.06 4.11 -1.64 -2.97 114.58 115.13 2rqy h GLU 47 Ca 0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 2rqy h GLU 47 Cb 0.47 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 2rqy h GLU 47 CO 0.00 0.54 -1.38 0.39 0.07 0.00 0.00 179.01 178.62 2rqy n GLU 48 N -3.30 0.54 -0.30 1.06 -0.58 -0.95 -4.42 120.64 112.69 2rqy n GLU 48 Ca 0.01 0.36 0.17 0.00 -0.42 0.00 0.00 57.16 57.28 2rqy n GLU 48 Cb 0.71 -1.56 0.44 0.00 -0.57 0.00 0.00 31.44 30.46 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 0.56 -1.26 -4.62 5.85 -1.25 0.83 115.31 114.41 2rqy h LEU 49 Ca -0.26 0.07 0.24 0.00 0.84 0.00 0.00 57.88 58.77 2rqy h LEU 49 Cb 1.12 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 42.03 2rqy h LEU 49 CO -0.16 0.20 0.64 -0.29 -0.34 0.00 0.00 178.44 178.48 2rqy h ILE 50 N 0.54 0.58 -0.46 4.05 2.10 -1.73 0.63 117.51 123.23 2rqy h ILE 50 Ca 0.53 -0.17 -0.13 0.00 1.08 0.00 0.00 64.86 66.17 2rqy h ILE 50 Cb 1.13 0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.89 2rqy h ILE 50 CO -0.27 0.09 -0.23 0.11 -1.08 0.00 0.00 178.15 176.77 2rqy h LYS 51 N 0.50 0.95 0.00 2.19 1.57 -1.05 0.25 116.57 120.99 2rqy h LYS 51 Ca 0.58 -0.41 -0.04 0.00 -1.87 0.00 0.00 60.65 58.91 2rqy h LYS 51 Cb 1.30 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2rqy h LYS 51 CO -0.32 1.08 -0.20 0.74 -0.57 0.00 0.00 179.45 180.18 2rqy h PHE 52 N 0.82 0.00 0.00 -1.35 -1.00 -0.62 -0.98 116.94 113.81 2rqy h PHE 52 Ca 0.10 0.00 -0.12 0.00 2.81 0.00 0.00 57.97 60.76 2rqy h PHE 52 Cb 0.80 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 2rqy h PHE 52 CO 0.05 0.20 -0.65 0.00 -1.61 0.00 0.00 178.31 176.29 2rqy h ARG 54 N -0.97 0.46 -0.93 0.00 1.12 -0.61 -3.17 114.38 110.28 2rqy h ARG 54 Ca -0.18 -0.34 -0.32 0.00 -1.11 0.00 0.00 59.98 58.04 2rqy h ARG 54 Cb 1.18 0.06 -0.19 0.00 -0.01 0.00 0.00 29.97 31.01 2rqy h ARG 54 CO -0.10 0.96 0.40 -1.91 -3.11 0.00 0.00 179.97 176.21 2rqy n GLU 55 N -4.34 2.42 -1.36 0.20 2.13 -0.37 -4.98 120.64 114.34 2rqy n GLU 55 Ca -0.07 -2.36 -0.33 0.00 0.66 0.00 0.00 57.16 55.05 2rqy n GLU 55 Cb 0.52 -1.96 0.09 0.00 0.27 0.00 0.00 31.44 30.37 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 -2.52 2.11 -0.23 4.31 0.00 -1.04 -4.85 121.76 119.54 2rqy s ALA 56 Ca 0.44 0.68 -0.03 0.00 0.00 0.00 0.00 51.96 53.04 2rqy s ALA 56 Cb 0.36 -3.41 0.12 0.00 0.00 0.00 0.00 23.12 20.19 2rqy s ALA 56 CO 0.09 -1.87 0.33 1.03 0.00 0.00 0.00 175.76 175.34 2rqy s ARG 57 N -4.20 0.29 6.97 0.00 0.52 -1.26 -4.69 118.95 116.58 2rqy s ARG 57 Ca 0.70 0.45 0.00 0.00 -0.52 0.00 0.00 55.73 56.36 2rqy s ARG 57 Cb -0.24 -0.67 0.00 0.00 0.52 0.00 0.00 34.95 34.56 2rqy s ARG 57 CO 0.48 -0.62 0.00 0.41 0.02 0.00 0.00 175.30 175.58 2rqy n GLY 58 N 5.35 1.65 0.33 -3.53 0.00 -1.26 -3.54 105.19 104.18 2rqy n GLY 58 Ca -0.04 -0.58 0.17 0.00 0.00 0.00 0.00 46.02 45.57 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 0.24 116.57 118.53 2rqy h LYS 59 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 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 -0.06 1.49 -2.00 0.00 0.00 179.45 178.88 2rqy h GLU 60 N 0.00 0.00 0.07 0.07 4.81 -1.92 -3.28 114.58 114.33 2rqy h GLU 60 Ca 0.05 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 59.17 2rqy h GLU 60 Cb 0.34 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.73 2rqy h GLU 60 CO -0.00 0.06 -0.48 -0.97 -0.73 0.00 0.00 179.01 176.89 2rqy h ASN 61 N 0.00 0.23 -0.42 1.04 -0.73 -0.74 -3.27 115.58 111.68 2rqy h ASN 61 Ca -0.00 -0.96 0.12 0.00 1.87 0.00 0.00 56.30 57.34 2rqy h ASN 61 Cb 0.94 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.43 2rqy h ASN 61 CO 0.01 1.23 0.41 0.08 -0.37 0.00 0.00 177.43 178.79 2rqy h ARG 62 N -0.68 0.00 0.37 6.67 0.11 -1.57 -2.01 114.38 117.27 2rqy h ARG 62 Ca -0.09 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 59.97 2rqy h ARG 62 Cb 1.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.43 2rqy h ARG 62 CO 0.07 0.00 -0.18 1.25 0.10 0.00 0.00 179.97 181.21 2rqy h LEU 63 N 0.00 -0.42 -1.60 0.08 7.12 -1.62 -3.17 115.31 115.70 2rqy h LEU 63 Ca 0.20 -0.11 0.32 0.00 0.13 0.00 0.00 57.88 58.42 2rqy h LEU 63 Cb 1.02 0.11 -0.08 0.00 -0.53 0.00 0.00 40.66 41.18 2rqy h LEU 63 CO -0.00 0.03 0.78 0.00 -0.13 0.00 0.00 178.44 179.11 2rqy h TYR 65 N 0.21 0.62 0.00 0.00 3.20 -1.48 0.42 116.97 119.94 2rqy h TYR 65 Ca 0.63 -0.02 -0.15 0.00 3.14 0.00 0.00 58.73 62.33 2rqy h TYR 65 Cb 1.97 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 40.02 2rqy h TYR 65 CO -0.00 0.47 -0.73 1.88 -1.64 0.00 0.00 178.16 178.14 2rqy h TYR 66 N 0.58 0.00 0.00 -3.82 0.05 -0.45 -3.21 116.97 110.12 2rqy h TYR 66 Ca 0.16 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.88 2rqy h TYR 66 Cb 0.06 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.79 2rqy h TYR 66 CO -0.02 0.70 -0.26 0.82 -1.05 0.00 0.00 178.16 178.35 2rqy h ILE 67 N 0.00 0.53 -4.74 -2.88 2.04 -0.20 -3.48 117.51 108.78 2rqy h ILE 67 Ca -0.01 -1.36 0.00 0.00 1.00 0.00 0.00 64.86 64.48 2rqy h ILE 67 Cb 1.54 1.96 0.00 0.00 -0.74 0.00 0.00 36.82 39.58 2rqy h ILE 67 CO 0.09 0.25 -0.08 0.61 0.00 0.00 0.00 178.15 179.02 2rqy n GLY 68 N 0.56 -1.03 0.00 5.37 0.00 0.11 -4.79 105.19 105.41 2rqy n GLY 68 Ca 0.01 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 1.82 -2.47 4.61 0.00 -1.21 -4.23 120.51 117.73 2rqy n ALA 69 Ca 0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.06 2rqy n ALA 69 Cb 0.46 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.79 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 -0.67 2.76 0.29 0.00 -1.32 -1.26 -4.41 115.64 111.02 2rqy s THR 70 Ca 0.00 -1.43 0.03 0.00 -1.21 0.00 0.00 61.69 59.08 2rqy s THR 70 Cb 0.00 -2.23 0.28 0.00 -1.51 0.00 0.00 72.50 69.04 2rqy s THR 70 CO 0.00 0.18 1.79 0.44 -2.21 0.00 0.00 174.62 174.81 2rqy h ASP 71 N 4.01 0.74 -0.45 8.08 3.32 -1.94 0.23 116.42 130.41 2rqy h ASP 71 Ca -0.49 0.08 0.13 0.00 0.02 0.00 0.00 57.03 56.77 2rqy h ASP 71 Cb 1.16 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.64 2rqy h ASP 71 CO 0.46 0.31 0.40 0.44 -1.72 0.00 0.00 179.24 179.13 2rqy h ASP 72 N 0.78 0.00 -2.50 6.45 3.32 -2.00 -3.42 116.42 119.05 2rqy h ASP 72 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 2rqy h ASP 72 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.27 2rqy h ASP 72 CO -0.35 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.17 2rqy n ALA 73 N -2.47 0.00 -2.64 3.45 0.00 0.82 -4.99 120.51 114.67 2rqy n ALA 73 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 2rqy n ALA 73 Cb 0.60 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.06 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 -3.00 5.91 0.13 0.00 0.00 -1.26 -4.48 120.51 117.81 2rqy n ALA 74 Ca 0.00 -4.60 0.00 0.00 0.00 0.00 0.00 53.44 48.84 2rqy n ALA 74 Cb 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 19.45 17.47 2rqy n ALA 74 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2rqy n THR 75 N -0.11 0.00 -1.05 0.00 -1.04 -1.26 -4.96 114.28 105.86 2rqy n THR 75 Ca 0.45 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.44 2rqy n THR 75 Cb 0.28 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.78 2rqy n THR 75 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2rqy n LYS 76 N -3.03 -1.48 -0.83 -2.82 4.01 -1.23 -4.88 118.16 107.91 2rqy n LYS 76 Ca 0.00 0.45 0.00 0.00 -0.51 0.00 0.00 58.31 58.25 2rqy n LYS 76 Cb 0.00 -4.60 0.00 0.00 -0.51 0.00 0.00 35.03 29.92 2rqy n LYS 76 CO 0.00 0.00 0.00 0.44 -1.11 0.00 0.00 177.40 176.73 2rqy n ILE 77 N -2.27 0.00 -3.52 -0.18 -5.35 -1.26 -4.76 119.36 102.03 2rqy n ILE 77 Ca -0.02 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.33 2rqy n ILE 77 Cb 0.40 0.00 -0.11 0.00 -1.74 0.00 0.00 39.64 38.19 2rqy n ILE 77 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 2rqy s ILE 78 N -2.40 -0.47 0.00 7.28 1.01 -1.26 -3.92 121.20 121.44 2rqy s ILE 78 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2rqy s ILE 78 Cb 0.00 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.82 2rqy s ILE 78 CO 0.00 -0.06 0.00 -3.20 0.00 0.00 0.00 174.94 171.68 2rqy n ASN 79 N 5.35 0.00 0.04 3.58 2.85 -1.26 -4.87 115.26 120.94 2rqy n ASN 79 Ca -0.05 0.00 0.08 0.00 -0.11 0.00 0.00 54.58 54.49 2rqy n ASN 79 Cb 0.50 0.00 0.34 0.00 1.24 0.00 0.00 39.78 41.86 2rqy n ASN 79 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 2rqy n GLU 80 N -1.18 0.05 0.00 1.20 1.02 -1.26 -0.08 120.64 120.38 2rqy n GLU 80 Ca 0.00 0.31 0.05 0.00 -0.02 0.00 0.00 57.16 57.51 2rqy n GLU 80 Cb 0.00 -1.60 0.02 0.00 -0.02 0.00 0.00 31.44 29.84 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 -1.70 0.00 -0.03 2.62 3.14 -1.26 -4.46 118.33 116.64 2rqy n VAL 81 Ca 0.03 -0.43 -0.03 0.00 -2.96 0.00 0.00 64.34 60.94 2rqy n VAL 81 Cb 0.17 1.17 -0.04 0.00 -1.06 0.00 0.00 33.84 34.08 2rqy n VAL 81 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2rqy n SER 82 N 0.11 3.57 0.42 6.55 2.88 -0.77 -4.17 113.62 122.22 2rqy n SER 82 Ca 0.05 -0.01 -0.17 0.00 -1.33 0.00 0.00 58.87 57.41 2rqy n SER 82 Cb 0.25 0.41 -0.08 0.00 -0.75 0.00 0.00 64.21 64.04 2rqy n SER 82 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 2rqy h LYS 83 N 0.00 -1.05 -0.01 -1.46 1.79 -0.74 -1.46 116.57 113.65 2rqy h LYS 83 Ca -0.15 0.07 -0.10 0.00 -2.18 0.00 0.00 60.65 58.28 2rqy h LYS 83 Cb 1.31 0.24 -0.01 0.00 -1.58 0.00 0.00 32.23 32.19 2rqy h LYS 83 CO -0.00 -0.70 -0.48 -1.00 -1.08 0.00 0.00 179.45 176.18 2rqy h PRO 84 N -1.25 0.02 0.00 3.15 0.13 -1.78 -2.66 132.00 129.62 2rqy h PRO 84 Ca -0.11 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.01 2rqy h PRO 84 Cb 0.83 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.96 2rqy h PRO 84 CO 0.18 0.50 0.00 -0.11 -0.23 0.00 0.00 178.00 178.35 2rqy n LEU 85 N -3.96 0.55 0.10 1.56 7.94 -1.22 -1.90 117.00 120.06 2rqy n LEU 85 Ca -0.02 0.59 -0.20 0.00 -1.11 0.00 0.00 56.01 55.28 2rqy n LEU 85 Cb 0.51 -0.46 -0.12 0.00 0.53 0.00 0.00 43.42 43.87 2rqy n LEU 85 CO 0.41 -0.31 -0.04 0.00 -1.11 0.00 0.00 177.39 176.34 2rqy h ALA 86 N 2.49 0.06 0.23 1.96 0.00 -0.88 -3.38 119.26 119.74 2rqy h ALA 86 Ca 0.00 -0.80 -0.01 0.00 0.00 0.00 0.00 54.91 54.10 2rqy h ALA 86 Cb 0.51 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2rqy h ALA 86 CO 0.00 0.77 -0.11 0.45 0.00 0.00 0.00 179.25 180.36 2rqy h HIS 87 N 0.21 -0.29 0.00 0.00 3.86 -1.60 -3.40 115.15 113.92 2rqy h HIS 87 Ca -0.17 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.04 2rqy h HIS 87 Cb 1.90 0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.47 2rqy h HIS 87 CO 0.10 -0.18 0.00 1.58 0.86 0.00 0.00 177.93 180.28 2rqy n HIS 88 N -3.47 0.00 -3.77 2.45 -0.00 -1.20 -5.06 115.22 104.17 2rqy n HIS 88 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.38 2rqy n HIS 88 Cb 0.12 0.00 -0.10 0.00 -0.00 0.00 0.00 29.99 30.01 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 0.00 2.08 -0.02 3.57 5.41 -0.80 -4.92 119.36 124.68 2rqy n ILE 89 Ca 0.00 -4.99 -0.13 0.00 1.00 0.00 0.00 62.75 58.63 2rqy n ILE 89 Cb 0.00 -2.21 -0.09 0.00 -0.71 0.00 0.00 39.64 36.63 2rqy n ILE 89 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 176.55 178.10 2rqy h PRO 90 N 5.32 0.10 0.00 0.38 0.13 -1.84 -3.27 132.00 132.81 2rqy h PRO 90 Ca 0.16 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.24 2rqy h PRO 90 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 2rqy h PRO 90 CO 0.77 0.56 -0.21 1.55 -0.23 0.00 0.00 178.00 180.45 2rqy n VAL 91 N -4.77 0.00 0.16 1.56 3.14 -1.26 -4.84 118.33 112.32 2rqy n VAL 91 Ca -0.08 0.00 0.04 0.00 -2.96 0.00 0.00 64.34 61.35 2rqy n VAL 91 Cb 0.28 0.36 0.15 0.00 -1.06 0.00 0.00 33.84 33.57 2rqy n VAL 91 CO 0.00 0.00 0.00 -0.08 -6.46 0.00 0.00 176.83 170.29 2rqy h GLU 92 N 0.00 0.00 0.00 1.45 4.81 -1.91 -3.24 114.58 115.69 2rqy h GLU 92 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2rqy h GLU 92 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 2rqy h GLU 92 CO 0.00 0.42 -1.88 1.17 -0.73 0.00 0.00 179.01 178.00 2rqy n LYS 93 N -3.30 0.60 0.00 1.92 0.00 -1.26 -2.30 118.16 113.82 2rqy n LYS 93 Ca 0.01 -0.18 0.09 0.00 0.00 0.00 0.00 58.31 58.24 2rqy n LYS 93 Cb 0.65 -1.50 0.44 0.00 0.00 0.00 0.00 35.03 34.61 2rqy n LYS 93 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.40 176.51 2rqy n ILE 94 N -2.17 0.57 0.02 3.15 2.08 -1.22 -0.47 119.36 121.32 2rqy n ILE 94 Ca -0.03 0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.42 2rqy n ILE 94 Cb 0.53 -0.82 0.00 0.00 -0.75 0.00 0.00 39.64 38.60 2rqy n ILE 94 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2rqy h GLU 96 N 0.00 -0.29 -0.54 0.00 4.81 -1.74 0.35 114.58 117.17 2rqy h GLU 96 Ca 0.00 0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.16 2rqy h GLU 96 Cb 0.00 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.43 2rqy h GLU 96 CO 0.00 -0.20 0.00 -0.22 -0.73 0.00 0.00 179.01 177.87 2rqy h LYS 97 N -0.30 0.95 -0.01 1.92 1.63 -1.58 -2.41 116.57 116.78 2rqy h LYS 97 Ca 0.01 -0.30 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2rqy h LYS 97 Cb 0.35 -0.09 -0.00 0.00 -0.60 0.00 0.00 32.23 31.89 2rqy h LYS 97 CO -0.21 0.96 0.08 1.25 -3.45 0.00 0.00 179.45 178.09 2rqy h LEU 98 N 0.83 0.00 -1.75 5.20 5.85 -0.42 -2.10 115.31 122.91 2rqy h LEU 98 Ca 0.15 0.00 0.30 0.00 0.84 0.00 0.00 57.88 59.18 2rqy h LEU 98 Cb 0.53 0.00 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 2rqy h LEU 98 CO 0.03 0.00 0.76 0.50 -0.34 0.00 0.00 178.44 179.38 2rqy h LYS 99 N 0.00 0.14 -0.96 1.25 3.64 0.23 0.26 116.57 121.13 2rqy h LYS 99 Ca 0.00 -0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.58 2rqy h LYS 99 Cb 0.17 -0.03 -0.09 0.00 -0.41 0.00 0.00 32.23 31.87 2rqy h LYS 99 CO -0.00 0.10 0.61 -0.22 -2.27 0.00 0.00 179.45 177.67 2rqy h LYS 100 N 0.15 0.55 0.00 1.90 3.64 -1.59 -1.49 116.57 119.74 2rqy h LYS 100 Ca 0.56 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.87 2rqy h LYS 100 Cb 1.91 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 33.60 2rqy h LYS 100 CO -0.12 0.37 -0.68 1.17 -2.27 0.00 0.00 179.45 177.91 2rqy n LYS 101 N -4.62 0.47 -3.81 1.90 4.81 0.84 -4.80 118.16 112.96 2rqy n LYS 101 Ca 0.22 0.49 -0.29 0.00 -0.87 0.00 0.00 58.31 57.86 2rqy n LYS 101 Cb 0.66 -1.66 -0.13 0.00 0.02 0.00 0.00 35.03 33.92 2rqy n LYS 101 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2rqy s ASP 102 N -5.90 4.03 0.50 3.14 1.01 -0.82 -4.93 116.67 113.71 2rqy s ASP 102 Ca -0.18 -3.24 0.34 0.00 0.71 0.00 0.00 52.55 50.17 2rqy s ASP 102 Cb 0.03 -1.36 1.66 0.00 1.01 0.00 0.00 42.92 44.26 2rqy s ASP 102 CO 0.29 -0.18 2.02 0.77 0.21 0.00 0.00 175.17 178.28 2rqy h SER 103 N 6.05 0.00 0.36 0.27 4.64 -1.49 -1.78 113.55 121.59 2rqy h SER 103 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2rqy h SER 103 Cb 0.85 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 2rqy h SER 103 CO 0.62 0.00 0.00 1.67 -0.87 0.00 0.00 176.83 178.25 2rqy n GLN 104 N -2.79 0.12 -0.16 4.77 -0.06 -1.26 -2.70 117.38 115.31 2rqy n GLN 104 Ca -0.01 0.48 -0.05 0.00 -2.00 0.00 0.00 57.00 55.41 2rqy n GLN 104 Cb 0.16 -1.79 0.04 0.00 -4.06 0.00 0.00 30.24 24.58 2rqy n GLN 104 CO 0.00 0.00 0.00 0.97 -0.20 0.00 0.00 177.06 177.83 2rqy h ILE 105 N 0.00 0.99 0.00 1.69 2.10 -1.70 0.39 117.51 120.99 2rqy h ILE 105 Ca 0.00 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.76 2rqy h ILE 105 Cb 0.18 0.44 0.00 0.00 -1.09 0.00 0.00 36.82 36.35 2rqy h ILE 105 CO 0.00 0.09 -0.29 0.00 -1.08 0.00 0.00 178.15 176.87 2rqy h GLU 107 N -0.93 0.14 0.00 0.00 4.81 -1.64 -3.43 114.58 113.54 2rqy h GLU 107 Ca 0.00 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2rqy h GLU 107 Cb 0.29 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.64 2rqy h GLU 107 CO 0.00 0.10 0.00 -0.11 -0.73 0.00 0.00 179.01 178.27 2rqy n LEU 108 N -5.20 0.00 -0.29 1.64 0.00 0.14 -4.93 117.00 108.36 2rqy n LEU 108 Ca 0.06 0.00 -0.04 0.00 0.00 0.00 0.00 56.01 56.03 2rqy n LEU 108 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.67 2rqy n LEU 108 CO 0.17 -0.27 -0.04 1.17 0.00 0.00 0.00 177.39 178.42 2rqy n LYS 109 N 0.00 -0.31 0.00 1.96 4.81 -1.26 -4.46 118.16 118.90 2rqy n LYS 109 Ca 0.00 0.58 0.00 0.00 -0.87 0.00 0.00 58.31 58.02 2rqy n LYS 109 Cb 0.00 -4.21 0.00 0.00 0.02 0.00 0.00 35.03 30.84 2rqy n LYS 109 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2rqy n TYR 110 N -2.86 0.00 -0.01 5.64 9.36 -1.26 -4.14 117.16 123.89 2rqy n TYR 110 Ca -0.04 0.00 -0.03 0.00 3.32 0.00 0.00 57.90 61.16 2rqy n TYR 110 Cb 0.14 0.00 -0.02 0.00 -0.63 0.00 0.00 39.34 38.83 2rqy n TYR 110 CO 0.00 0.00 0.00 0.22 0.22 0.00 0.00 176.86 177.30 2rqy h ASP 111 N 0.00 -0.30 -4.21 2.98 3.58 -1.78 -3.42 116.42 113.28 2rqy h ASP 111 Ca 0.00 0.04 -0.52 0.00 0.42 0.00 0.00 57.03 56.96 2rqy h ASP 111 Cb 0.00 0.12 0.14 0.00 1.72 0.00 0.00 39.33 41.31 2rqy h ASP 111 CO 0.00 -0.08 0.36 -0.75 -2.88 0.00 0.00 179.24 175.89 2rqy s LYS 112 N -3.46 2.23 -0.69 0.28 2.20 -1.26 -5.00 119.74 114.04 2rqy s LYS 112 Ca -0.03 1.57 0.04 0.00 -0.36 0.00 0.00 55.97 57.20 2rqy s LYS 112 Cb 0.01 -1.86 0.17 0.00 -1.51 0.00 0.00 37.83 34.64 2rqy s LYS 112 CO 0.10 -1.73 0.48 -0.65 -0.36 0.00 0.00 175.35 173.19 2rqy s GLN 113 N -4.13 2.45 0.03 4.03 -1.52 -1.26 -4.69 119.66 114.57 2rqy s GLN 113 Ca 0.70 -3.21 0.00 0.00 -1.95 0.00 0.00 55.36 50.90 2rqy s GLN 113 Cb -0.25 -3.45 -0.04 0.00 -0.22 0.00 0.00 33.01 29.05 2rqy s GLN 113 CO 0.46 -1.25 0.11 -1.50 -0.25 0.00 0.00 175.29 172.86 2rqy s ILE 114 N -1.24 4.84 -1.12 1.08 -1.16 -1.26 -5.01 121.20 117.33 2rqy s ILE 114 Ca 0.24 -0.48 -0.20 0.00 -0.51 0.00 0.00 60.65 59.69 2rqy s ILE 114 Cb -0.09 -3.28 -0.06 0.00 0.61 0.00 0.00 42.46 39.65 2rqy s ILE 114 CO -0.13 0.25 1.93 0.47 -2.81 0.00 0.00 174.94 174.65 2rqy n ASP 115 N 0.82 3.37 0.06 4.50 8.00 -1.26 -4.00 116.55 128.04 2rqy n ASP 115 Ca -0.10 -2.75 0.00 0.00 0.71 0.00 0.00 54.79 52.64 2rqy n ASP 115 Cb 0.52 -1.54 0.00 0.00 -0.02 0.00 0.00 41.12 40.08 2rqy n ASP 115 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2rqy n LEU 116 N 10.11 -0.07 0.00 0.64 7.94 -1.26 -5.03 117.00 129.32 2rqy n LEU 116 Ca 0.48 0.21 0.03 0.00 -1.11 0.00 0.00 56.01 55.62 2rqy n LEU 116 Cb 0.44 0.17 0.01 0.00 0.53 0.00 0.00 43.42 44.57 2rqy n LEU 116 CO 0.83 -0.62 0.75 -1.20 -1.11 0.00 0.00 177.39 176.04 2rqy n SER 117 N -2.91 -0.65 -0.04 1.96 7.64 -1.26 -5.00 113.62 113.37 2rqy n SER 117 Ca 0.00 -1.03 0.11 0.00 1.01 0.00 0.00 58.87 58.96 2rqy n SER 117 Cb 0.00 0.98 0.51 0.00 -1.01 0.00 0.00 64.21 64.69 2rqy n SER 117 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rqy h THR 118 N 1.63 0.93 -3.46 0.44 1.03 -1.96 -3.35 112.91 108.17 2rqy h THR 118 Ca -0.12 -0.13 -0.71 0.00 -0.01 0.00 0.00 66.41 65.44 2rqy h THR 118 Cb 0.73 0.52 -0.31 0.00 -1.07 0.00 0.00 68.15 68.02 2rqy h THR 118 CO 0.18 0.07 -0.50 0.68 -0.01 0.00 0.00 175.52 175.94 2rqy s VAL 119 N -5.36 3.72 0.12 0.00 -7.23 -1.26 -4.59 120.40 105.80 2rqy s VAL 119 Ca -0.07 -1.77 -0.31 0.00 -1.81 0.00 0.00 61.98 58.02 2rqy s VAL 119 Cb 0.19 -3.42 -0.09 0.00 0.56 0.00 0.00 36.38 33.63 2rqy s VAL 119 CO 0.74 -0.61 1.57 -2.24 -0.31 0.00 0.00 175.10 174.24 2rqy h ASP 120 N 8.23 -1.49 0.04 4.85 3.04 -1.72 0.29 116.42 129.67 2rqy h ASP 120 Ca -0.18 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 2rqy h ASP 120 Cb 1.06 0.59 0.00 0.00 -1.04 0.00 0.00 39.33 39.94 2rqy h ASP 120 CO 0.74 -0.46 0.00 -0.07 -2.04 0.00 0.00 179.24 177.41 2rqy h LEU 121 N -0.55 0.00 -1.70 0.15 3.38 -1.94 -3.46 115.31 111.19 2rqy h LEU 121 Ca 0.05 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.79 2rqy h LEU 121 Cb 0.66 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.53 2rqy h LEU 121 CO -0.40 0.00 -0.53 1.17 0.09 0.00 0.00 178.44 178.77 2rqy n LYS 122 N -2.89 -4.66 -0.83 1.13 3.00 0.10 -2.21 118.16 111.80 2rqy n LYS 122 Ca -0.03 0.59 0.00 0.00 -0.00 0.00 0.00 58.31 58.87 2rqy n LYS 122 Cb 0.07 -4.84 0.00 0.00 0.00 0.00 0.00 35.03 30.26 2rqy n LYS 122 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2rqy n LYS 123 N -3.20 -0.22 -4.51 1.64 4.76 -1.26 -2.93 118.16 112.45 2rqy n LYS 123 Ca -0.19 0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 54.90 2rqy n LYS 123 Cb 0.61 -3.52 -0.08 0.00 -1.84 0.00 0.00 35.03 30.20 2rqy n LYS 123 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2rqy n LEU 124 N 0.00 -0.86 -3.15 -0.35 7.94 -0.94 -4.86 117.00 114.77 2rqy n LEU 124 Ca 0.00 -1.25 0.04 0.00 -1.11 0.00 0.00 56.01 53.69 2rqy n LEU 124 Cb 0.05 -1.60 -0.01 0.00 0.53 0.00 0.00 43.42 42.39 2rqy n LEU 124 CO 0.00 0.17 0.22 -0.60 -1.11 0.00 0.00 177.39 176.07 2rqy s ARG 125 N -7.27 0.48 0.00 1.96 3.52 -1.25 -4.92 118.95 111.48 2rqy s ARG 125 Ca 0.69 0.69 0.00 0.00 -0.13 0.00 0.00 55.73 56.98 2rqy s ARG 125 Cb -0.40 0.36 0.00 0.00 -1.56 0.00 0.00 34.95 33.35 2rqy s ARG 125 CO 1.02 -0.70 0.00 0.28 -0.81 0.00 0.00 175.30 175.10 2rqy n VAL 126 N 5.40 0.00 0.14 7.11 0.31 -1.26 -4.12 118.33 125.91 2rqy n VAL 126 Ca 0.01 0.00 0.18 0.00 -0.01 0.00 0.00 64.34 64.52 2rqy n VAL 126 Cb 0.53 0.00 0.77 0.00 -0.91 0.00 0.00 33.84 34.23 2rqy n VAL 126 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2rqy h LYS 127 N 0.00 0.00 0.00 5.55 6.56 -1.94 0.43 116.57 127.17 2rqy h LYS 127 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2rqy h LYS 127 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2rqy h LYS 127 CO 0.00 0.00 0.00 -0.85 -2.06 0.00 0.00 179.45 176.54 2rqy n GLU 128 N -3.97 0.07 0.00 3.15 -0.00 -1.15 -0.29 120.64 118.45 2rqy n GLU 128 Ca 0.04 0.24 0.00 0.00 -0.00 0.00 0.00 57.16 57.44 2rqy n GLU 128 Cb 0.43 -1.50 0.00 0.00 -0.00 0.00 0.00 31.44 30.37 2rqy n GLU 128 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 2rqy n LEU 129 N -1.42 0.88 0.01 -1.84 7.94 0.11 -4.38 117.00 118.31 2rqy n LEU 129 Ca 0.04 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.73 2rqy n LEU 129 Cb 0.13 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 43.94 2rqy n LEU 129 CO 0.11 0.15 -0.41 0.11 -1.11 0.00 0.00 177.39 176.24 2rqy h LYS 130 N 0.00 0.25 0.00 1.96 1.57 -0.47 -2.81 116.57 117.06 2rqy h LYS 130 Ca 0.00 -0.42 -0.20 0.00 -1.87 0.00 0.00 60.65 58.16 2rqy h LYS 130 Cb 0.74 0.16 -0.03 0.00 0.08 0.00 0.00 32.23 33.18 2rqy h LYS 130 CO 0.00 1.20 -0.96 0.87 -0.57 0.00 0.00 179.45 179.99 2rqy h LYS 131 N -0.30 0.00 0.00 3.15 1.79 -0.83 -3.20 116.57 117.18 2rqy h LYS 131 Ca -0.30 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 58.06 2rqy h LYS 131 Cb 1.76 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.40 2rqy h LYS 131 CO 0.06 0.92 -0.54 0.82 -1.08 0.00 0.00 179.45 179.63 2rqy h ILE 132 N 0.00 0.94 0.00 1.86 2.04 -1.52 -3.08 117.51 117.75 2rqy h ILE 132 Ca -0.02 -2.31 -0.04 0.00 1.00 0.00 0.00 64.86 63.49 2rqy h ILE 132 Cb 1.73 2.45 -0.01 0.00 -0.74 0.00 0.00 36.82 40.26 2rqy h ILE 132 CO 0.12 0.53 -0.17 0.25 0.00 0.00 0.00 178.15 178.89 2rqy h LEU 133 N 0.00 0.00 0.00 1.44 6.46 -1.53 -3.11 115.31 118.57 2rqy h LEU 133 Ca -0.01 0.00 -0.16 0.00 -0.12 0.00 0.00 57.88 57.60 2rqy h LEU 133 Cb 1.41 0.00 -0.03 0.00 -0.73 0.00 0.00 40.66 41.31 2rqy h LEU 133 CO 0.07 0.17 -1.13 -0.78 -0.62 0.00 0.00 178.44 176.15 2rqy h ASP 134 N 0.00 0.00 -0.49 1.25 3.58 -1.55 -3.23 116.42 115.98 2rqy h ASP 134 Ca -0.00 0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.37 2rqy h ASP 134 Cb 0.94 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2rqy h ASP 134 CO 0.02 0.61 0.01 -0.78 -2.88 0.00 0.00 179.24 176.22 2rqy h ASP 135 N 0.00 0.84 1.02 2.28 3.58 -1.47 -2.79 116.42 119.89 2rqy h ASP 135 Ca -0.11 -0.30 -0.07 0.00 0.42 0.00 0.00 57.03 56.96 2rqy h ASP 135 Cb 1.56 -0.23 -0.01 0.00 1.72 0.00 0.00 39.33 42.38 2rqy h ASP 135 CO 0.06 0.94 -0.34 -0.50 -2.88 0.00 0.00 179.24 176.52 2rqy h TRP 136 N 0.72 0.00 -0.01 0.28 -0.00 -1.68 -3.49 115.95 111.77 2rqy h TRP 136 Ca 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 59.03 2rqy h TRP 136 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.66 2rqy h TRP 136 CO 0.04 0.34 0.00 0.41 -0.00 0.00 0.00 178.44 179.23 2rqy n GLY 137 N 0.42 0.45 2.95 1.49 0.00 -1.05 -5.15 105.19 104.30 2rqy n GLY 137 Ca 0.00 -0.91 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 2rqy n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2rqy n GLU 138 N 1.85 0.74 -3.80 1.61 -0.58 -1.24 -4.99 120.64 114.23 2rqy n GLU 138 Ca 0.00 -3.02 -0.13 0.00 -0.42 0.00 0.00 57.16 53.59 2rqy n GLU 138 Cb 0.00 1.35 -0.12 0.00 -0.57 0.00 0.00 31.44 32.10 2rqy n GLU 138 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 2rqy s MET 139 N -3.41 0.23 -0.30 3.49 -1.94 -1.26 -5.07 119.30 111.04 2rqy s MET 139 Ca 0.12 0.27 -0.18 0.00 -1.71 0.00 0.00 55.69 54.19 2rqy s MET 139 Cb 0.01 0.11 0.17 0.00 2.01 0.00 0.00 34.83 37.13 2rqy s MET 139 CO 0.08 -0.03 1.23 0.00 -0.01 0.00 0.00 175.02 176.29 2rqy n LYS 141 N 5.36 0.00 -1.21 0.00 4.01 -1.26 -4.46 118.16 120.61 2rqy n LYS 141 Ca -0.04 0.24 -0.29 0.00 -0.51 0.00 0.00 58.31 57.71 2rqy n LYS 141 Cb 0.56 -0.72 0.08 0.00 -0.51 0.00 0.00 35.03 34.44 2rqy n LYS 141 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2rqy n GLY 142 N 2.19 5.31 3.14 0.72 0.00 -1.26 -4.89 105.19 110.40 2rqy n GLY 142 Ca 0.00 -1.89 -0.12 0.00 0.00 0.00 0.00 46.02 44.00 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 0.57 -3.85 0.04 0.00 0.00 -1.26 -4.75 121.76 112.52 2rqy s ALA 144 Ca -0.03 1.34 -0.15 0.00 0.00 0.00 0.00 51.96 53.11 2rqy s ALA 144 Cb -0.05 -2.78 0.02 0.00 0.00 0.00 0.00 23.12 20.31 2rqy s ALA 144 CO -0.03 -2.02 0.33 -1.21 0.00 0.00 0.00 175.76 172.82 2rqy s GLU 145 N 2.94 0.83 0.13 0.00 2.02 -1.26 -5.04 118.70 118.33 2rqy s GLU 145 Ca 0.24 -0.48 -0.28 0.00 0.02 0.00 0.00 54.97 54.47 2rqy s GLU 145 Cb -0.03 0.36 -0.05 0.00 0.10 0.00 0.00 34.13 34.51 2rqy s GLU 145 CO -0.22 -0.27 1.60 -0.22 0.02 0.00 0.00 175.26 176.17 2rqy h LYS 146 N 3.17 -0.47 -0.84 1.61 3.64 -2.01 -0.84 116.57 120.83 2rqy h LYS 146 Ca -0.32 0.03 0.12 0.00 -1.27 0.00 0.00 60.65 59.22 2rqy h LYS 146 Cb 1.20 0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 33.07 2rqy h LYS 146 CO 0.45 -0.31 0.55 0.77 -2.27 0.00 0.00 179.45 178.64 2rqy h SER 147 N -0.49 0.63 -0.70 4.20 0.02 -2.00 -0.92 113.55 114.29 2rqy h SER 147 Ca 0.07 0.03 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 2rqy h SER 147 Cb 0.59 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 63.00 2rqy h SER 147 CO -0.31 0.35 0.46 -0.78 -1.14 0.00 0.00 176.83 175.40 2rqy h ASP 148 N 0.69 0.78 -0.13 3.07 1.82 -1.59 -2.16 116.42 118.91 2rqy h ASP 148 Ca 0.41 -0.01 -0.08 0.00 -0.39 0.00 0.00 57.03 56.95 2rqy h ASP 148 Cb 0.62 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.43 2rqy h ASP 148 CO -0.17 0.55 -0.17 1.88 -1.61 0.00 0.00 179.24 179.72 2rqy h TYR 149 N 0.92 0.56 0.16 0.28 0.05 -0.44 -3.04 116.97 115.46 2rqy h TYR 149 Ca 0.27 -0.10 0.02 0.00 0.05 0.00 0.00 58.73 58.96 2rqy h TYR 149 Cb -0.07 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.49 2rqy h TYR 149 CO -0.03 0.66 -0.36 0.82 -1.05 0.00 0.00 178.16 178.20 2rqy h ILE 150 N 0.47 0.25 -0.02 -2.88 1.08 -0.86 0.90 117.51 116.46 2rqy h ILE 150 Ca 0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.56 2rqy h ILE 150 Cb 0.57 0.25 -0.00 0.00 -3.07 0.00 0.00 36.82 34.57 2rqy h ILE 150 CO 0.04 0.00 0.03 0.03 -0.69 0.00 0.00 178.15 177.56 2rqy h ARG 151 N -0.61 0.00 0.22 2.37 3.08 -1.49 0.27 114.38 118.21 2rqy h ARG 151 Ca 0.02 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 2rqy h ARG 151 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.68 2rqy h ARG 151 CO -0.19 0.00 -0.10 0.87 -1.07 0.00 0.00 179.97 179.48 2rqy h LYS 152 N 0.00 -0.28 0.00 0.04 6.56 -0.97 -3.26 116.57 118.66 2rqy h LYS 152 Ca 0.01 0.02 -0.05 0.00 -1.06 0.00 0.00 60.65 59.56 2rqy h LYS 152 Cb 0.07 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.78 2rqy h LYS 152 CO -0.00 -0.16 -0.26 0.82 -2.06 0.00 0.00 179.45 177.80 2rqy h ILE 153 N -1.07 1.18 -0.58 1.86 1.08 -0.68 -2.90 117.51 116.41 2rqy h ILE 153 Ca -0.03 -0.88 0.09 0.00 -0.39 0.00 0.00 64.86 63.65 2rqy h ILE 153 Cb 0.25 1.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 2rqy h ILE 153 CO 0.05 0.25 0.18 0.78 -0.69 0.00 0.00 178.15 178.72 2rqy h ASN 154 N 0.00 0.14 0.26 1.72 -0.26 -0.58 0.39 115.58 117.25 2rqy h ASN 154 Ca -0.00 0.08 0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2rqy h ASN 154 Cb 0.46 0.09 0.00 0.00 -1.06 0.00 0.00 38.32 37.80 2rqy h ASN 154 CO 0.03 0.09 0.00 -0.08 -1.06 0.00 0.00 177.43 176.41 2rqy h GLU 155 N 0.34 0.00 0.00 0.81 4.22 -1.55 -1.61 114.58 116.80 2rqy h GLU 155 Ca 0.29 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.72 2rqy h GLU 155 Cb 0.38 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.59 2rqy h GLU 155 CO -0.32 0.00 -0.38 1.28 -2.18 0.00 0.00 179.01 177.41 2rqy n LEU 156 N -2.57 2.29 0.51 1.64 7.99 0.10 -4.83 117.00 122.14 2rqy n LEU 156 Ca -0.01 -3.31 -0.20 0.00 -0.01 0.00 0.00 56.01 52.48 2rqy n LEU 156 Cb 0.11 -0.42 -0.09 0.00 -0.11 0.00 0.00 43.42 42.91 2rqy n LEU 156 CO 0.16 1.03 0.54 0.24 -1.51 0.00 0.00 177.39 177.85 2rqy h MET 157 N 0.61 -1.25 0.00 3.23 2.86 0.50 -2.37 114.93 118.51 2rqy h MET 157 Ca -0.02 0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.71 2rqy h MET 157 Cb 1.10 0.28 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2rqy h MET 157 CO 0.01 -0.83 0.00 -0.35 1.06 0.00 0.00 176.91 176.80 2rqy n PRO 158 N -5.49 0.14 -0.06 -0.22 -0.04 -1.25 0.07 135.00 128.14 2rqy n PRO 158 Ca -0.16 0.19 -0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2rqy n PRO 158 Cb 0.51 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2rqy n PRO 158 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2rqy h LYS 159 N 0.00 0.00 -0.04 0.54 3.11 -1.80 -3.38 116.57 115.00 2rqy h LYS 159 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 2rqy h LYS 159 Cb 0.18 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 31.39 2rqy h LYS 159 CO 0.00 0.30 -0.48 0.66 -2.81 0.00 0.00 179.45 177.12 2rqy n TYR 160 N -4.72 0.13 -2.67 1.91 4.01 -0.93 -4.78 117.16 110.12 2rqy n TYR 160 Ca -0.04 -1.53 -0.04 0.00 -0.16 0.00 0.00 57.90 56.14 2rqy n TYR 160 Cb 0.16 -0.27 0.09 0.00 -0.31 0.00 0.00 39.34 39.01 2rqy n TYR 160 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2rqy n ALA 161 N -1.11 -3.27 -1.86 -0.72 0.00 0.11 -5.02 120.51 108.64 2rqy n ALA 161 Ca 0.21 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.93 2rqy n ALA 161 Cb 0.72 -3.10 -0.06 0.00 0.00 0.00 0.00 19.45 17.01 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 1.01 1.56 -3.99 0.00 -0.04 -1.20 -3.94 135.00 128.40 2rqy n PRO 162 Ca -0.02 -2.32 -0.09 0.00 -0.04 0.00 0.00 63.50 61.03 2rqy n PRO 162 Cb 0.73 -3.55 -0.08 0.00 -0.04 0.00 0.00 33.50 30.56 2rqy n PRO 162 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2rqy s LYS 163 N 6.18 0.91 0.00 0.54 3.01 -1.26 -4.60 119.74 124.52 2rqy s LYS 163 Ca 0.66 -1.17 0.00 0.00 -1.01 0.00 0.00 55.97 54.45 2rqy s LYS 163 Cb 0.03 0.31 0.00 0.00 -1.01 0.00 0.00 37.83 37.15 2rqy s LYS 163 CO 0.14 -0.28 0.00 0.00 0.51 0.00 0.00 175.35 175.71 2rqy n ALA 164 N -0.08 0.00 -0.30 5.17 0.00 -1.26 -4.32 120.51 119.72 2rqy n ALA 164 Ca -0.11 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2rqy n ALA 164 Cb 0.63 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.34 2rqy n ALA 164 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2rqy h ALA 165 N 0.00 1.35 0.00 0.00 0.00 -1.92 0.28 119.26 118.96 2rqy h ALA 165 Ca 0.00 0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2rqy h ALA 165 Cb 0.00 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2rqy h ALA 165 CO 0.00 -0.20 -1.49 0.43 0.00 0.00 0.00 179.25 177.99 2rqy n SER 166 N -4.95 0.51 0.23 0.00 7.64 -1.26 -4.02 113.62 111.78 2rqy n SER 166 Ca 0.19 0.21 0.12 0.00 1.01 0.00 0.00 58.87 60.40 2rqy n SER 166 Cb 0.53 0.96 0.41 0.00 -1.01 0.00 0.00 64.21 65.10 2rqy n SER 166 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2rqy h ALA 167 N 1.85 0.97 -1.32 -0.43 0.00 -1.47 -3.44 119.26 115.43 2rqy h ALA 167 Ca -0.06 -0.10 -0.63 0.00 0.00 0.00 0.00 54.91 54.13 2rqy h ALA 167 Cb 1.16 -0.02 -0.12 0.00 0.00 0.00 0.00 17.79 18.82 2rqy h ALA 167 CO 0.01 0.13 -0.55 1.03 0.00 0.00 0.00 179.25 179.87 2rqy s ARG 168 N -3.45 2.08 -0.31 0.00 0.52 0.83 -4.90 118.95 113.72 2rqy s ARG 168 Ca 0.03 -2.11 0.08 0.00 -0.52 0.00 0.00 55.73 53.21 2rqy s ARG 168 Cb 0.08 -1.71 0.68 0.00 0.52 0.00 0.00 34.95 34.52 2rqy s ARG 168 CO 0.62 -0.15 1.74 0.25 0.02 0.00 0.00 175.30 177.78 2rqy n THR 169 N -1.12 2.76 0.08 0.02 -2.24 -1.26 -4.30 114.28 108.21 2rqy n THR 169 Ca -0.07 -1.51 -0.05 0.00 -2.27 0.00 0.00 64.05 60.15 2rqy n THR 169 Cb 0.66 -0.41 -0.07 0.00 -2.10 0.00 0.00 70.33 68.41 2rqy n THR 169 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2rqy h ASP 170 N 2.24 0.00 -0.00 3.42 3.32 -1.90 -3.53 116.42 119.97 2rqy h ASP 170 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2rqy h ASP 170 Cb 2.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.83 2rqy h ASP 170 CO 0.73 0.91 0.00 -0.11 -1.72 0.00 0.00 179.24 179.05