#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rqg s VAL 2 N 0.00 3.68 0.27 1.12 -7.23 -1.26 -5.02 120.40 111.96 1rqg s VAL 2 Ca 0.00 0.81 0.10 0.00 -1.81 0.00 0.00 61.98 61.08 1rqg s VAL 2 Cb 0.00 -3.33 -0.05 0.00 0.56 0.00 0.00 36.38 33.56 1rqg s VAL 2 CO 0.00 -0.46 -0.15 0.00 -0.31 0.00 0.00 175.10 174.18 1rqg s ARG 3 N -4.03 1.59 -0.06 4.82 1.70 -1.25 -4.50 118.95 117.22 1rqg s ARG 3 Ca 0.65 -1.75 0.04 0.00 -0.47 0.00 0.00 55.73 54.19 1rqg s ARG 3 Cb -0.17 -1.52 0.00 0.00 -0.57 0.00 0.00 34.95 32.69 1rqg s ARG 3 CO 0.37 0.23 -0.17 0.71 -1.08 0.00 0.00 175.30 175.36 1rqg s TYR 4 N -2.71 1.85 -0.57 5.89 1.51 0.51 -2.43 117.35 121.40 1rqg s TYR 4 Ca 0.28 -0.63 -0.08 0.00 -1.01 0.00 0.00 57.07 55.63 1rqg s TYR 4 Cb -0.02 -1.27 0.15 0.00 -0.11 0.00 0.00 41.96 40.71 1rqg s TYR 4 CO 0.13 -0.26 0.44 1.41 -1.11 0.00 0.00 175.55 176.16 1rqg s MET 5 N 0.29 2.67 -0.15 -0.62 1.75 -0.94 -0.11 119.30 122.19 1rqg s MET 5 Ca -0.10 -2.11 -0.08 0.00 -1.25 0.00 0.00 55.69 52.15 1rqg s MET 5 Cb -0.14 -3.94 -0.04 0.00 2.84 0.00 0.00 34.83 33.55 1rqg s MET 5 CO 0.04 -1.20 0.12 0.08 -0.65 0.00 0.00 175.02 173.41 1rqg s VAL 6 N 0.73 5.29 0.28 10.11 1.01 0.15 -1.80 120.40 136.16 1rqg s VAL 6 Ca 0.11 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.25 1rqg s VAL 6 Cb -0.22 -3.34 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 1rqg s VAL 6 CO -0.03 0.54 0.07 0.42 0.00 0.00 0.00 175.10 176.10 1rqg s THR 7 N -0.37 0.81 0.01 3.92 -4.23 -0.84 -0.85 115.64 114.09 1rqg s THR 7 Ca 0.11 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.66 1rqg s THR 7 Cb -0.12 -2.65 -0.01 0.00 1.34 0.00 0.00 72.50 71.06 1rqg s THR 7 CO 0.01 -0.04 -0.13 -0.44 -0.54 0.00 0.00 174.62 173.49 1rqg s SER 8 N -3.37 1.49 0.06 3.99 0.01 -1.17 -2.17 113.70 112.55 1rqg s SER 8 Ca 0.36 -0.30 -0.36 0.00 1.31 0.00 0.00 55.95 56.96 1rqg s SER 8 Cb 0.08 -0.14 -0.15 0.00 0.21 0.00 0.00 66.02 66.02 1rqg s SER 8 CO 0.14 0.11 1.50 0.00 0.41 0.00 0.00 173.24 175.39 1rqg n ALA 9 N 2.48 0.01 -1.67 1.44 0.00 -0.66 -4.80 120.51 117.31 1rqg n ALA 9 Ca -0.15 0.46 -0.44 0.00 0.00 0.00 0.00 53.44 53.31 1rqg n ALA 9 Cb 0.55 -2.21 -0.04 0.00 0.00 0.00 0.00 19.45 17.76 1rqg n ALA 9 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1rqg n LEU 10 N 3.41 3.89 -4.75 0.00 4.32 -1.26 -4.94 117.00 117.67 1rqg n LEU 10 Ca 0.19 0.94 -0.41 0.00 -0.02 0.00 0.00 56.01 56.72 1rqg n LEU 10 Cb 0.22 -1.48 -0.04 0.00 -1.62 0.00 0.00 43.42 40.51 1rqg n LEU 10 CO 0.65 0.10 0.81 -2.16 -1.22 0.00 0.00 177.39 175.58 1rqg s PRO 11 N 4.00 4.60 0.11 3.23 0.04 -1.24 -4.63 135.00 141.12 1rqg s PRO 11 Ca 0.89 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 63.42 1rqg s PRO 11 Cb -0.53 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.71 1rqg s PRO 11 CO 0.44 0.11 1.25 -0.47 0.04 0.00 0.00 177.00 178.38 1rqg s TYR 12 N -0.67 3.38 -0.02 0.56 5.04 -1.26 -1.42 117.35 122.96 1rqg s TYR 12 Ca 0.48 1.24 -0.06 0.00 -2.44 0.00 0.00 57.07 56.29 1rqg s TYR 12 Cb -0.31 -3.50 -0.25 0.00 0.35 0.00 0.00 41.96 38.25 1rqg s TYR 12 CO 0.38 -1.56 3.43 0.00 -1.34 0.00 0.00 175.55 176.47 1rqg n ALA 13 N 3.49 6.07 -0.02 3.97 0.00 -0.37 -3.77 120.51 129.88 1rqg n ALA 13 Ca 0.08 -1.74 0.00 0.00 0.00 0.00 0.00 53.44 51.78 1rqg n ALA 13 Cb 0.45 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1rqg n ALA 13 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1rqg n ASN 14 N 2.54 1.43 0.00 0.00 5.15 -1.26 -4.43 115.26 118.70 1rqg n ASN 14 Ca 0.41 -1.45 0.00 0.00 -0.60 0.00 0.00 54.58 52.94 1rqg n ASN 14 Cb 0.86 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.11 1rqg n ASN 14 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1rqg n GLY 15 N -0.22 -0.69 3.89 8.20 0.00 -1.25 -5.06 105.19 110.05 1rqg n GLY 15 Ca 0.00 -1.06 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1rqg n GLY 15 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1rqg s PRO 16 N -2.00 3.32 0.23 1.61 0.04 -1.26 -4.94 135.00 132.00 1rqg s PRO 16 Ca 0.00 0.43 -0.09 0.00 0.04 0.00 0.00 61.00 61.38 1rqg s PRO 16 Cb 0.00 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.30 1rqg s PRO 16 CO 0.00 -0.59 0.53 0.96 0.04 0.00 0.00 177.00 177.94 1rqg s ILE 17 N -3.08 4.96 0.34 0.56 -4.36 -1.26 -5.04 121.20 113.32 1rqg s ILE 17 Ca 0.54 0.39 0.09 0.00 -0.26 0.00 0.00 60.65 61.41 1rqg s ILE 17 Cb -0.11 -3.63 -0.06 0.00 1.25 0.00 0.00 42.46 39.91 1rqg s ILE 17 CO 0.50 -0.08 -0.09 -1.38 0.24 0.00 0.00 174.94 174.12 1rqg s HIS 18 N -1.83 2.34 0.49 1.37 -3.43 -1.26 -2.42 115.29 110.55 1rqg s HIS 18 Ca 0.46 -0.53 0.29 0.00 -0.80 0.00 0.00 55.06 54.48 1rqg s HIS 18 Cb -0.11 -1.35 1.37 0.00 -1.43 0.00 0.00 32.58 31.06 1rqg s HIS 18 CO 0.22 0.54 1.82 0.00 -2.00 0.00 0.00 174.74 175.32 1rqg h ALA 19 N 2.06 2.73 -0.73 -1.38 0.00 -1.36 0.26 119.26 120.83 1rqg h ALA 19 Ca -0.42 -0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.49 1rqg h ALA 19 Cb 1.25 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 1rqg h ALA 19 CO 0.70 -1.07 0.48 0.78 0.00 0.00 0.00 179.25 180.14 1rqg h GLY 20 N 0.14 1.04 0.78 0.00 0.00 -1.92 0.56 103.07 103.67 1rqg h GLY 20 Ca 0.53 -0.40 -0.00 0.00 0.00 0.00 0.00 47.33 47.46 1rqg h GLY 20 CO -0.10 0.39 -0.03 0.45 0.00 0.00 0.00 176.54 177.24 1rqg h HIS 21 N 1.00 -0.08 0.62 5.60 -0.00 -0.92 0.72 115.15 122.09 1rqg h HIS 21 Ca 0.27 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.61 1rqg h HIS 21 Cb -0.10 0.03 0.01 0.00 -0.00 0.00 0.00 27.41 27.34 1rqg h HIS 21 CO -0.02 0.15 -0.30 1.25 -0.00 0.00 0.00 177.93 179.01 1rqg h LEU 22 N -0.31 -0.71 -1.41 2.43 5.85 -1.05 -1.44 115.31 118.67 1rqg h LEU 22 Ca -0.01 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.80 1rqg h LEU 22 Cb 0.27 0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.44 1rqg h LEU 22 CO 0.02 -0.46 0.48 0.00 -0.34 0.00 0.00 178.44 178.13 1rqg h ALA 23 N -0.55 1.79 -0.29 1.25 0.00 0.06 -0.80 119.26 120.71 1rqg h ALA 23 Ca -0.09 -0.01 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1rqg h ALA 23 Cb 0.66 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1rqg h ALA 23 CO 0.14 0.07 -0.43 0.78 0.00 0.00 0.00 179.25 179.82 1rqg h GLY 24 N 0.68 0.78 0.00 0.00 0.00 -0.42 -3.41 103.07 100.70 1rqg h GLY 24 Ca 0.33 -0.81 0.00 0.00 0.00 0.00 0.00 47.33 46.85 1rqg h GLY 24 CO -0.12 0.73 0.00 0.00 0.00 0.00 0.00 176.54 177.15 1rqg n ALA 25 N -2.52 0.00 -0.11 3.60 0.00 -0.58 -3.89 120.51 117.00 1rqg n ALA 25 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1rqg n ALA 25 Cb 0.55 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.94 1rqg n ALA 25 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1rqg n TYR 26 N 0.00 0.00 -0.19 0.00 4.02 -0.86 -4.00 117.16 116.13 1rqg n TYR 26 Ca 0.00 0.00 -0.01 0.00 -0.01 0.00 0.00 57.90 57.88 1rqg n TYR 26 Cb 0.01 -0.71 0.09 0.00 -0.02 0.00 0.00 39.34 38.71 1rqg n TYR 26 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1rqg h LEU 27 N -1.00 0.19 0.32 7.72 5.85 -1.46 0.13 115.31 127.06 1rqg h LEU 27 Ca -0.30 0.07 -0.00 0.00 0.84 0.00 0.00 57.88 58.49 1rqg h LEU 27 Cb 1.26 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.33 1rqg h LEU 27 CO -0.18 0.12 -0.30 -0.65 -0.34 0.00 0.00 178.44 177.10 1rqg h PRO 28 N 0.38 -0.61 -0.99 5.25 0.11 -1.80 -1.46 132.00 132.88 1rqg h PRO 28 Ca 0.28 0.04 0.17 0.00 0.11 0.00 0.00 66.00 66.61 1rqg h PRO 28 Cb 0.34 0.14 -0.09 0.00 0.11 0.00 0.00 31.00 31.49 1rqg h PRO 28 CO -0.29 -0.41 0.61 0.00 -0.21 0.00 0.00 178.00 177.71 1rqg h ALA 29 N -0.07 1.71 -0.08 -0.75 0.00 -1.55 -1.14 119.26 117.38 1rqg h ALA 29 Ca -0.02 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1rqg h ALA 29 Cb 0.57 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1rqg h ALA 29 CO -0.05 -0.04 -0.01 0.22 0.00 0.00 0.00 179.25 179.38 1rqg h ASP 30 N 0.78 0.15 -0.80 0.00 -0.00 -0.29 -0.46 116.42 115.79 1rqg h ASP 30 Ca 0.54 -0.33 0.07 0.00 -0.00 0.00 0.00 57.03 57.31 1rqg h ASP 30 Cb 0.82 -0.04 -0.06 0.00 -0.00 0.00 0.00 39.33 40.05 1rqg h ASP 30 CO -0.32 0.45 0.48 0.40 -0.00 0.00 0.00 179.24 180.25 1rqg h ILE 31 N -0.15 0.99 0.15 2.25 2.04 -0.65 -0.02 117.51 122.13 1rqg h ILE 31 Ca 0.02 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rqg h ILE 31 Cb 0.37 0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 1rqg h ILE 31 CO 0.01 0.16 -0.07 0.15 0.00 0.00 0.00 178.15 178.39 1rqg h PHE 32 N 0.85 -0.19 -0.29 1.37 3.57 -1.13 -2.82 116.94 118.30 1rqg h PHE 32 Ca 0.36 -0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.84 1rqg h PHE 32 Cb 0.23 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.02 1rqg h PHE 32 CO -0.05 0.11 0.10 0.28 -2.23 0.00 0.00 178.31 176.52 1rqg h VAL 33 N -0.49 1.19 -0.26 1.41 2.07 -0.79 -1.53 116.25 117.84 1rqg h VAL 33 Ca -0.02 -0.60 0.06 0.00 0.82 0.00 0.00 66.70 66.96 1rqg h VAL 33 Cb 0.39 1.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.14 1rqg h VAL 33 CO 0.03 0.20 -0.11 0.03 0.02 0.00 0.00 177.57 177.75 1rqg h ARG 34 N 0.31 -0.06 -0.15 1.57 3.08 -1.09 -0.10 114.38 117.94 1rqg h ARG 34 Ca 0.09 0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.18 1rqg h ARG 34 Cb 0.22 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.22 1rqg h ARG 34 CO -0.01 -0.04 -0.50 -0.92 -1.07 0.00 0.00 179.97 177.44 1rqg h TYR 35 N -0.06 -1.48 -1.04 3.04 3.20 -1.28 0.76 116.97 120.10 1rqg h TYR 35 Ca 0.14 0.06 0.28 0.00 3.14 0.00 0.00 58.73 62.35 1rqg h TYR 35 Cb 0.27 0.67 -0.12 0.00 1.54 0.00 0.00 36.73 39.08 1rqg h TYR 35 CO -0.30 -0.49 0.62 -0.07 -1.64 0.00 0.00 178.16 176.29 1rqg h LEU 36 N -0.52 0.55 -0.33 2.82 3.38 -0.54 0.28 115.31 120.95 1rqg h LEU 36 Ca 0.03 0.14 -0.14 0.00 0.09 0.00 0.00 57.88 58.00 1rqg h LEU 36 Cb 0.61 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.42 1rqg h LEU 36 CO -0.41 0.01 -0.35 0.03 0.09 0.00 0.00 178.44 177.82 1rqg h ARG 37 N 0.43 0.81 0.00 1.13 3.08 0.68 -1.03 114.38 119.48 1rqg h ARG 37 Ca 0.67 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 60.25 1rqg h ARG 37 Cb 1.51 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 31.58 1rqg h ARG 37 CO -0.47 1.07 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.29 1rqg h LEU 38 N 0.59 0.00 -0.16 3.04 3.38 0.16 0.12 115.31 122.44 1rqg h LEU 38 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1rqg h LEU 38 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1rqg h LEU 38 CO 0.09 0.15 0.00 1.17 0.09 0.00 0.00 178.44 179.93 1rqg n LYS 39 N -3.67 0.24 -0.73 1.13 3.00 0.39 -0.83 118.16 117.70 1rqg n LYS 39 Ca -0.02 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 1rqg n LYS 39 Cb 0.27 -1.82 0.00 0.00 0.00 0.00 0.00 35.03 33.48 1rqg n LYS 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1rqg n GLY 40 N 1.02 0.83 3.52 3.14 0.00 0.41 -4.94 105.19 109.16 1rqg n GLY 40 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1rqg n GLY 40 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1rqg n GLU 41 N -2.13 -1.66 -3.33 1.61 4.07 -0.45 -4.96 120.64 113.79 1rqg n GLU 41 Ca 0.00 -0.44 -0.45 0.00 -0.06 0.00 0.00 57.16 56.21 1rqg n GLU 41 Cb 0.00 -2.20 -0.06 0.00 -0.06 0.00 0.00 31.44 29.12 1rqg n GLU 41 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 1rqg s ASP 42 N -2.43 6.17 0.02 4.31 -1.08 -1.26 -4.70 116.67 117.71 1rqg s ASP 42 Ca 0.67 -1.45 0.03 0.00 -0.52 0.00 0.00 52.55 51.27 1rqg s ASP 42 Cb -0.24 -2.21 -0.02 0.00 -1.46 0.00 0.00 42.92 39.00 1rqg s ASP 42 CO 0.63 -0.76 -0.08 0.54 0.52 0.00 0.00 175.17 176.01 1rqg s VAL 43 N 1.76 0.64 -0.07 1.11 0.11 -1.26 0.19 120.40 122.88 1rqg s VAL 43 Ca 0.05 -0.72 0.05 0.00 -2.93 0.00 0.00 61.98 58.43 1rqg s VAL 43 Cb -0.26 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 33.97 1rqg s VAL 43 CO 0.06 -0.09 -0.24 -0.69 -3.33 0.00 0.00 175.10 170.81 1rqg s VAL 44 N -0.75 2.13 -0.27 2.04 1.01 0.85 -4.93 120.40 120.47 1rqg s VAL 44 Ca -0.02 -1.03 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1rqg s VAL 44 Cb -0.06 -1.78 0.07 0.00 0.00 0.00 0.00 36.38 34.60 1rqg s VAL 44 CO 0.00 0.57 -0.07 0.12 0.00 0.00 0.00 175.10 175.72 1rqg s PHE 45 N -0.04 3.13 0.13 5.22 5.99 -1.25 0.31 117.98 131.46 1rqg s PHE 45 Ca -0.07 -2.31 0.09 0.00 0.00 0.00 0.00 56.93 54.65 1rqg s PHE 45 Cb -0.15 -2.02 -0.04 0.00 0.00 0.00 0.00 43.02 40.81 1rqg s PHE 45 CO 0.05 -0.87 -0.19 0.42 -0.00 0.00 0.00 175.22 174.63 1rqg s ILE 46 N 1.14 2.74 0.03 3.12 -1.09 -0.03 0.12 121.20 127.23 1rqg s ILE 46 Ca -0.05 -1.58 -0.29 0.00 -2.23 0.00 0.00 60.65 56.50 1rqg s ILE 46 Cb -0.20 -2.26 0.10 0.00 -1.58 0.00 0.00 42.46 38.53 1rqg s ILE 46 CO -0.06 0.07 1.15 0.00 -1.23 0.00 0.00 174.94 174.87 1rqg s GLY 48 N -2.88 -0.30 0.08 0.00 0.00 -1.26 0.03 107.32 103.00 1rqg s GLY 48 Ca 0.13 0.39 -0.22 0.00 0.00 0.00 0.00 44.72 45.02 1rqg s GLY 48 CO -0.02 4.76 0.66 -0.51 0.00 0.00 0.00 173.10 177.99 1rqg s THR 49 N -2.02 4.65 -0.37 0.90 -4.23 -0.45 -3.65 115.64 110.47 1rqg s THR 49 Ca 0.27 1.43 -0.26 0.00 -1.18 0.00 0.00 61.69 61.95 1rqg s THR 49 Cb 0.02 -4.01 0.01 0.00 1.34 0.00 0.00 72.50 69.87 1rqg s THR 49 CO -0.04 0.50 0.92 -0.62 -0.54 0.00 0.00 174.62 174.84 1rqg s ASP 50 N -0.82 6.68 -0.15 3.99 -1.08 -0.51 -2.16 116.67 122.61 1rqg s ASP 50 Ca 0.33 0.58 0.16 0.00 -0.52 0.00 0.00 52.55 53.09 1rqg s ASP 50 Cb -0.21 -2.46 0.48 0.00 -1.46 0.00 0.00 42.92 39.27 1rqg s ASP 50 CO 0.21 -0.85 1.37 -0.62 0.52 0.00 0.00 175.17 175.80 1rqg n GLU 51 N 6.77 2.76 -3.21 4.34 1.02 -1.26 -1.24 120.64 129.82 1rqg n GLU 51 Ca 0.07 -2.72 -0.14 0.00 -0.02 0.00 0.00 57.16 54.36 1rqg n GLU 51 Cb 0.48 -1.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 1rqg n GLU 51 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1rqg n HIS 52 N -0.49 0.27 0.00 -0.32 8.25 -1.26 -4.98 115.22 116.69 1rqg n HIS 52 Ca 0.19 -1.23 0.00 0.00 -0.26 0.00 0.00 57.72 56.42 1rqg n HIS 52 Cb 0.81 -0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.85 1rqg n HIS 52 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rqg n GLY 53 N 1.36 2.68 0.15 -1.41 0.00 -1.26 -4.74 105.19 101.98 1rqg n GLY 53 Ca -0.06 -1.97 -0.13 0.00 0.00 0.00 0.00 46.02 43.86 1rqg n GLY 53 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rqg h THR 54 N 0.00 0.76 -0.21 2.61 2.02 -1.98 -3.18 112.91 112.93 1rqg h THR 54 Ca 0.00 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.20 1rqg h THR 54 Cb 0.00 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1rqg h THR 54 CO 0.00 0.00 -0.13 -0.65 0.37 0.00 0.00 175.52 175.11 1rqg h PRO 55 N -0.25 -0.01 -0.90 6.66 0.11 -1.95 0.51 132.00 136.18 1rqg h PRO 55 Ca -0.00 0.00 0.25 0.00 0.11 0.00 0.00 66.00 66.36 1rqg h PRO 55 Cb 0.23 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 31.20 1rqg h PRO 55 CO -0.01 -0.00 0.28 0.82 -0.21 0.00 0.00 178.00 178.88 1rqg h ILE 56 N -0.01 0.30 -0.17 4.15 2.04 -1.85 0.59 117.51 122.57 1rqg h ILE 56 Ca 0.03 -0.08 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 1rqg h ILE 56 Cb 0.09 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.23 1rqg h ILE 56 CO -0.20 0.04 0.10 0.28 0.00 0.00 0.00 178.15 178.37 1rqg h SER 57 N 0.22 0.21 0.03 1.72 0.02 -0.71 -2.25 113.55 112.79 1rqg h SER 57 Ca 0.58 -0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 1rqg h SER 57 Cb 1.21 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 63.68 1rqg h SER 57 CO -0.66 0.21 -0.18 0.15 -1.14 0.00 0.00 176.83 175.22 1rqg h PHE 58 N 0.18 -0.52 -1.40 3.45 3.57 0.48 -1.73 116.94 120.97 1rqg h PHE 58 Ca 0.06 0.01 0.44 0.00 3.53 0.00 0.00 57.97 62.01 1rqg h PHE 58 Cb 0.05 0.22 -0.11 0.00 2.79 0.00 0.00 35.95 38.90 1rqg h PHE 58 CO -0.05 -0.20 0.94 -0.09 -2.23 0.00 0.00 178.31 176.68 1rqg h ARG 59 N -0.25 0.08 -0.33 1.11 2.43 -0.81 0.22 114.38 116.84 1rqg h ARG 59 Ca -0.00 -0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 1rqg h ARG 59 Cb 0.25 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.77 1rqg h ARG 59 CO -0.10 0.06 0.11 0.00 -1.51 0.00 0.00 179.97 178.53 1rqg h ALA 60 N 1.48 0.43 -0.51 2.80 0.00 -0.69 -0.32 119.26 122.45 1rqg h ALA 60 Ca 0.80 -0.14 -0.12 0.00 0.00 0.00 0.00 54.91 55.44 1rqg h ALA 60 Cb 2.67 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 20.31 1rqg h ALA 60 CO -0.30 0.05 -0.15 1.25 0.00 0.00 0.00 179.25 180.09 1rqg h LEU 61 N 0.37 1.00 0.11 0.00 7.12 -0.38 0.13 115.31 123.66 1rqg h LEU 61 Ca 0.11 -0.35 0.01 0.00 0.13 0.00 0.00 57.88 57.77 1rqg h LEU 61 Cb 0.22 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.05 1rqg h LEU 61 CO -0.01 1.14 -0.38 0.50 -0.13 0.00 0.00 178.44 179.56 1rqg h LYS 62 N 0.87 -0.54 -0.33 1.25 3.64 -0.82 -2.47 116.57 118.17 1rqg h LYS 62 Ca 0.13 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1rqg h LYS 62 Cb 0.72 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.66 1rqg h LYS 62 CO 0.06 -0.36 0.00 0.39 -2.27 0.00 0.00 179.45 177.26 1rqg n GLU 63 N -4.63 1.75 -3.62 1.90 -0.58 -0.17 -4.93 120.64 110.37 1rqg n GLU 63 Ca -0.06 -1.16 -0.23 0.00 -0.42 0.00 0.00 57.16 55.29 1rqg n GLU 63 Cb 0.30 -1.25 0.04 0.00 -0.57 0.00 0.00 31.44 29.96 1rqg n GLU 63 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rqg n GLY 64 N 1.01 -0.60 3.07 0.62 0.00 0.06 -5.01 105.19 104.34 1rqg n GLY 64 Ca 0.11 0.28 -0.10 0.00 0.00 0.00 0.00 46.02 46.31 1rqg n GLY 64 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rqg s ARG 65 N -5.72 0.56 0.42 1.61 0.52 0.24 -5.03 118.95 111.56 1rqg s ARG 65 Ca 0.19 -0.97 -0.23 0.00 -0.52 0.00 0.00 55.73 54.21 1rqg s ARG 65 Cb -0.05 -0.05 -0.09 0.00 0.52 0.00 0.00 34.95 35.28 1rqg s ARG 65 CO 0.81 -0.03 1.05 -1.54 0.02 0.00 0.00 175.30 175.61 1rqg s SER 66 N -2.21 6.63 0.48 0.23 1.04 -1.26 -4.33 113.70 114.28 1rqg s SER 66 Ca -0.02 2.01 0.20 0.00 0.48 0.00 0.00 55.95 58.62 1rqg s SER 66 Cb -0.02 -2.58 1.23 0.00 0.10 0.00 0.00 66.02 64.75 1rqg s SER 66 CO -0.04 -0.58 1.97 -0.65 0.98 0.00 0.00 173.24 174.92 1rqg h PRO 67 N 2.22 0.19 -0.56 4.02 0.11 -1.91 -0.08 132.00 135.98 1rqg h PRO 67 Ca -0.49 -0.01 -0.09 0.00 0.11 0.00 0.00 66.00 65.52 1rqg h PRO 67 Cb 1.22 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 1rqg h PRO 67 CO 0.61 0.13 0.00 -0.09 -0.21 0.00 0.00 178.00 178.44 1rqg h ARG 68 N 0.19 0.99 -0.08 1.05 9.65 -1.95 -2.50 114.38 121.73 1rqg h ARG 68 Ca 0.29 -0.31 0.03 0.00 -1.10 0.00 0.00 59.98 58.89 1rqg h ARG 68 Cb 0.89 -0.09 -0.04 0.00 -1.39 0.00 0.00 29.97 29.34 1rqg h ARG 68 CO -0.05 0.98 -0.14 0.93 2.80 0.00 0.00 179.97 184.49 1rqg h GLU 69 N 0.87 -0.19 -0.54 0.20 5.08 -1.38 -1.09 114.58 117.53 1rqg h GLU 69 Ca 0.16 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.47 1rqg h GLU 69 Cb 0.54 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.81 1rqg h GLU 69 CO 0.03 -0.12 0.09 -0.84 -1.00 0.00 0.00 179.01 177.16 1rqg h ILE 70 N -0.19 1.25 -0.07 3.13 3.07 -1.42 -2.08 117.51 121.20 1rqg h ILE 70 Ca 0.07 -0.95 -0.09 0.00 1.55 0.00 0.00 64.86 65.45 1rqg h ILE 70 Cb 0.30 0.82 -0.01 0.00 -0.27 0.00 0.00 36.82 37.66 1rqg h ILE 70 CO -0.19 0.34 -0.36 -0.37 -1.05 0.00 0.00 178.15 176.53 1rqg h VAL 71 N 0.78 1.28 -0.42 0.16 -1.51 -1.29 -0.16 116.25 115.09 1rqg h VAL 71 Ca 0.16 -1.32 -0.10 0.00 -1.23 0.00 0.00 66.70 64.21 1rqg h VAL 71 Cb 0.40 1.62 -0.02 0.00 -2.13 0.00 0.00 31.29 31.17 1rqg h VAL 71 CO 0.01 0.39 -0.14 0.44 -1.23 0.00 0.00 177.57 177.04 1rqg h ASP 72 N 0.12 0.76 -0.19 4.19 3.45 -1.03 0.26 116.42 123.99 1rqg h ASP 72 Ca 0.01 -0.24 -0.06 0.00 0.43 0.00 0.00 57.03 57.17 1rqg h ASP 72 Cb 0.69 -0.21 -0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1rqg h ASP 72 CO 0.05 0.92 -0.13 -0.08 -1.57 0.00 0.00 179.24 178.43 1rqg h GLU 73 N 0.69 0.43 0.00 3.56 4.81 -0.62 -3.12 114.58 120.33 1rqg h GLU 73 Ca 0.11 -0.20 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1rqg h GLU 73 Cb 0.63 -0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.00 1rqg h GLU 73 CO 0.04 0.75 -0.15 0.74 -0.73 0.00 0.00 179.01 179.66 1rqg h PHE 74 N 0.11 0.00 -0.48 0.92 0.05 -0.96 -2.14 116.94 114.43 1rqg h PHE 74 Ca 0.04 0.00 -0.11 0.00 3.82 0.00 0.00 57.97 61.72 1rqg h PHE 74 Cb 0.64 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 38.58 1rqg h PHE 74 CO 0.07 0.15 -0.13 1.25 -0.18 0.00 0.00 178.31 179.47 1rqg h HIS 75 N 0.00 1.06 -0.02 -0.55 2.76 -0.96 0.43 115.15 117.88 1rqg h HIS 75 Ca -0.00 -0.23 -0.00 0.00 -2.20 0.00 0.00 60.37 57.93 1rqg h HIS 75 Cb 1.03 -0.26 -0.00 0.00 1.55 0.00 0.00 27.41 29.73 1rqg h HIS 75 CO 0.00 1.03 -0.00 1.49 -1.30 0.00 0.00 177.93 179.14 1rqg h GLU 76 N 0.80 0.03 -0.61 5.26 4.22 -1.48 0.49 114.58 123.29 1rqg h GLU 76 Ca 0.12 -0.01 0.07 0.00 0.08 0.00 0.00 59.36 59.61 1rqg h GLU 76 Cb 0.69 -0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.88 1rqg h GLU 76 CO 0.05 0.38 0.30 0.37 -2.18 0.00 0.00 179.01 177.93 1rqg h GLN 77 N -0.32 0.54 -0.02 1.92 -0.00 -1.29 -1.33 115.11 114.61 1rqg h GLN 77 Ca 0.00 -0.03 -0.23 0.00 -0.00 0.00 0.00 58.65 58.39 1rqg h GLN 77 Cb 0.37 -0.12 0.02 0.00 0.00 0.00 0.00 27.48 27.75 1rqg h GLN 77 CO 0.00 0.36 -0.89 0.82 0.00 0.00 0.00 178.83 179.11 1rqg h ILE 78 N 0.55 1.32 -0.62 2.39 2.04 -0.87 -1.62 117.51 120.70 1rqg h ILE 78 Ca 0.28 -2.16 -0.00 0.00 1.00 0.00 0.00 64.86 63.98 1rqg h ILE 78 Cb 0.23 2.39 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1rqg h ILE 78 CO -0.21 0.66 0.38 0.50 0.00 0.00 0.00 178.15 179.48 1rqg h LYS 79 N 0.28 0.84 -0.53 2.37 3.64 -0.71 0.21 116.57 122.67 1rqg h LYS 79 Ca -0.11 -0.07 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 1rqg h LYS 79 Cb 1.56 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 33.18 1rqg h LYS 79 CO 0.18 0.59 -0.11 0.82 -2.27 0.00 0.00 179.45 178.66 1rqg h ILE 80 N 0.84 1.27 -0.53 2.00 1.08 -1.29 -2.00 117.51 118.88 1rqg h ILE 80 Ca 0.22 -1.27 0.02 0.00 -0.39 0.00 0.00 64.86 63.45 1rqg h ILE 80 Cb -0.03 1.00 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 1rqg h ILE 80 CO -0.04 0.45 0.32 0.74 -0.69 0.00 0.00 178.15 178.92 1rqg h THR 81 N 0.87 1.06 -0.30 -0.27 2.02 -0.69 0.17 112.91 115.78 1rqg h THR 81 Ca 0.13 -0.22 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 1rqg h THR 81 Cb 0.68 0.37 -0.02 0.00 -1.74 0.00 0.00 68.15 67.45 1rqg h THR 81 CO 0.05 0.11 0.03 -0.26 0.37 0.00 0.00 175.52 175.83 1rqg h PHE 82 N 0.63 0.44 -0.42 3.16 0.04 -0.78 0.34 116.94 120.35 1rqg h PHE 82 Ca 0.21 -0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.88 1rqg h PHE 82 Cb 0.02 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 1rqg h PHE 82 CO -0.06 0.42 -0.02 1.96 -0.60 0.00 0.00 178.31 180.01 1rqg h GLN 83 N 0.43 0.76 -0.95 1.51 4.20 -0.46 0.42 115.11 121.02 1rqg h GLN 83 Ca 0.10 -0.25 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1rqg h GLN 83 Cb 0.23 -0.06 -0.05 0.00 0.30 0.00 0.00 27.48 27.90 1rqg h GLN 83 CO 0.00 0.84 0.57 0.00 -0.67 0.00 0.00 178.83 179.57 1rqg h ARG 84 N 0.59 1.29 0.00 1.46 3.08 0.76 -0.41 114.38 121.15 1rqg h ARG 84 Ca 0.12 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1rqg h ARG 84 Cb 0.51 -0.27 0.00 0.00 0.08 0.00 0.00 29.97 30.30 1rqg h ARG 84 CO 0.03 0.90 0.00 0.00 -1.07 0.00 0.00 179.97 179.83 1rqg h ALA 85 N 1.31 1.00 -3.01 0.04 0.00 0.09 -3.44 119.26 115.25 1rqg h ALA 85 Ca 0.34 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 55.08 1rqg h ALA 85 Cb -0.05 0.00 0.06 0.00 0.00 0.00 0.00 17.79 17.80 1rqg h ALA 85 CO -0.06 0.00 -0.29 1.63 0.00 0.00 0.00 179.25 180.53 1rqg n LYS 86 N -2.44 -3.33 -3.18 0.00 4.76 0.01 -4.99 118.16 108.99 1rqg n LYS 86 Ca 0.02 0.36 -0.43 0.00 -2.87 0.00 0.00 58.31 55.39 1rqg n LYS 86 Cb 0.27 -3.99 -0.07 0.00 -1.84 0.00 0.00 35.03 29.40 1rqg n LYS 86 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1rqg s ILE 87 N -3.10 4.91 0.00 -0.18 -1.09 -0.45 -4.97 121.20 116.31 1rqg s ILE 87 Ca 0.24 -0.10 -0.03 0.00 -2.23 0.00 0.00 60.65 58.54 1rqg s ILE 87 Cb -0.11 -4.17 -0.13 0.00 -1.58 0.00 0.00 42.46 36.47 1rqg s ILE 87 CO 0.30 -0.57 2.69 -1.54 -1.23 0.00 0.00 174.94 174.58 1rqg n SER 88 N 6.06 4.95 -4.60 3.58 3.41 -1.26 -4.69 113.62 121.06 1rqg n SER 88 Ca -0.04 -2.37 -0.51 0.00 -0.26 0.00 0.00 58.87 55.69 1rqg n SER 88 Cb 0.47 -1.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.17 1rqg n SER 88 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1rqg n PHE 89 N 2.06 1.60 0.31 7.33 3.72 -1.26 -4.76 117.46 126.46 1rqg n PHE 89 Ca 0.21 0.59 0.19 0.00 -0.05 0.00 0.00 57.45 58.39 1rqg n PHE 89 Cb 0.67 -2.36 1.03 0.00 -0.94 0.00 0.00 39.48 37.88 1rqg n PHE 89 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 1rqg h ASP 90 N 4.71 0.00 -3.02 4.37 3.32 0.55 -3.42 116.42 122.91 1rqg h ASP 90 Ca -0.47 0.00 0.08 0.00 0.02 0.00 0.00 57.03 56.65 1rqg h ASP 90 Cb 1.33 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.61 1rqg h ASP 90 CO 0.79 0.02 0.45 0.12 -1.72 0.00 0.00 179.24 178.90 1rqg s PHE 91 N -4.21 -0.48 -0.48 4.55 5.36 -1.19 -5.02 117.98 116.51 1rqg s PHE 91 Ca -0.04 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.08 1rqg s PHE 91 Cb 0.13 0.37 0.12 0.00 -0.34 0.00 0.00 43.02 43.30 1rqg s PHE 91 CO 0.48 -0.23 0.23 0.12 -1.46 0.00 0.00 175.22 174.35 1rqg s PHE 92 N 0.45 3.44 0.00 10.12 5.36 -1.24 -2.71 117.98 133.40 1rqg s PHE 92 Ca 0.01 -2.95 0.00 0.00 -0.96 0.00 0.00 56.93 53.03 1rqg s PHE 92 Cb -0.05 -2.97 0.00 0.00 -0.34 0.00 0.00 43.02 39.66 1rqg s PHE 92 CO -0.08 -0.85 0.00 0.41 -1.46 0.00 0.00 175.22 173.24 1rqg n GLY 93 N 3.68 0.89 3.50 13.12 0.00 0.10 -4.82 105.19 121.66 1rqg n GLY 93 Ca 0.04 -1.81 -0.16 0.00 0.00 0.00 0.00 46.02 44.10 1rqg n GLY 93 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1rqg s ARG 94 N 1.75 0.88 0.00 1.61 1.70 -1.26 -1.34 118.95 122.29 1rqg s ARG 94 Ca 0.00 0.47 0.00 0.00 -0.47 0.00 0.00 55.73 55.73 1rqg s ARG 94 Cb 0.00 0.42 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 1rqg s ARG 94 CO 0.00 -0.21 0.41 0.25 -1.08 0.00 0.00 175.30 174.67 1rqg n THR 95 N 1.72 0.00 0.92 4.99 -2.24 -0.92 -1.77 114.28 116.99 1rqg n THR 95 Ca -0.17 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.71 1rqg n THR 95 Cb 0.56 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.51 1rqg n THR 95 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rqg n GLU 96 N -0.00 1.38 -1.90 -0.78 -0.58 -1.26 -4.77 120.64 112.73 1rqg n GLU 96 Ca 0.00 -1.00 -0.42 0.00 -0.42 0.00 0.00 57.16 55.32 1rqg n GLU 96 Cb 0.12 -1.42 -0.03 0.00 -0.57 0.00 0.00 31.44 29.54 1rqg n GLU 96 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rqg s LEU 97 N -2.33 4.37 0.24 -4.62 1.43 -0.73 -4.91 118.68 112.12 1rqg s LEU 97 Ca 0.18 2.73 -0.07 0.00 -1.03 0.00 0.00 54.13 55.93 1rqg s LEU 97 Cb 0.17 -3.61 0.42 0.00 0.03 0.00 0.00 46.19 43.19 1rqg s LEU 97 CO 0.51 -0.83 1.65 -0.65 0.23 0.00 0.00 176.35 177.26 1rqg h PRO 98 N 5.92 0.13 -0.52 1.29 0.11 -1.93 0.13 132.00 137.13 1rqg h PRO 98 Ca -0.44 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.76 1rqg h PRO 98 Cb 1.21 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 1rqg h PRO 98 CO 0.86 0.08 0.35 0.97 -0.21 0.00 0.00 178.00 180.05 1rqg h ILE 99 N 0.13 0.87 -0.17 4.15 6.09 -1.95 0.59 117.51 127.22 1rqg h ILE 99 Ca 0.40 -0.09 -0.02 0.00 -1.37 0.00 0.00 64.86 63.77 1rqg h ILE 99 Cb 0.69 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 38.56 1rqg h ILE 99 CO -0.62 0.05 0.01 -0.74 -3.07 0.00 0.00 178.15 173.79 1rqg h HIS 100 N 0.26 0.31 -0.83 2.19 2.76 -1.08 -0.16 115.15 118.60 1rqg h HIS 100 Ca 0.24 -0.05 0.13 0.00 -2.20 0.00 0.00 60.37 58.49 1rqg h HIS 100 Cb 0.60 -0.08 -0.09 0.00 1.55 0.00 0.00 27.41 29.39 1rqg h HIS 100 CO -0.00 0.48 0.43 1.88 -1.30 0.00 0.00 177.93 179.42 1rqg h TYR 101 N 0.06 0.76 -0.01 5.26 -1.99 -0.57 0.09 116.97 120.57 1rqg h TYR 101 Ca 0.05 0.03 -0.00 0.00 2.00 0.00 0.00 58.73 60.81 1rqg h TYR 101 Cb 0.35 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 38.86 1rqg h TYR 101 CO 0.03 0.21 -0.01 -0.22 -0.00 0.00 0.00 178.16 178.17 1rqg h LYS 102 N 0.64 0.03 -0.50 4.88 3.64 -1.02 -2.41 116.57 121.82 1rqg h LYS 102 Ca 0.44 -0.01 -0.04 0.00 -1.27 0.00 0.00 60.65 59.77 1rqg h LYS 102 Cb 0.58 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 1rqg h LYS 102 CO -0.34 0.48 0.17 1.25 -2.27 0.00 0.00 179.45 178.74 1rqg h LEU 103 N -0.43 0.72 0.36 5.20 5.85 -0.60 -1.49 115.31 124.91 1rqg h LEU 103 Ca 0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 1rqg h LEU 103 Cb 0.48 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1rqg h LEU 103 CO 0.00 0.73 -0.23 0.28 -0.34 0.00 0.00 178.44 178.88 1rqg h SER 104 N 0.68 -0.57 -0.94 1.25 0.02 -1.06 0.17 113.55 113.11 1rqg h SER 104 Ca 0.16 0.04 0.17 0.00 -0.84 0.00 0.00 61.79 61.32 1rqg h SER 104 Cb 0.26 0.17 -0.08 0.00 0.14 0.00 0.00 62.40 62.89 1rqg h SER 104 CO -0.01 -0.36 0.60 1.56 -1.14 0.00 0.00 176.83 177.48 1rqg h GLN 105 N -0.56 0.65 -0.05 3.45 4.20 -1.37 0.20 115.11 121.62 1rqg h GLN 105 Ca -0.04 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.61 1rqg h GLN 105 Cb 0.47 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.10 1rqg h GLN 105 CO 0.03 0.43 -0.04 1.49 -0.67 0.00 0.00 178.83 180.07 1rqg h GLU 106 N 0.67 0.13 -0.61 1.46 4.57 -0.85 -0.18 114.58 119.76 1rqg h GLU 106 Ca 0.49 -0.06 0.13 0.00 -1.18 0.00 0.00 59.36 58.74 1rqg h GLU 106 Cb 0.86 0.00 -0.11 0.00 -0.16 0.00 0.00 28.75 29.34 1rqg h GLU 106 CO -0.25 0.56 -0.04 0.74 -1.18 0.00 0.00 179.01 178.84 1rqg h PHE 107 N -0.30 -0.11 -0.59 0.92 -1.00 0.14 0.74 116.94 116.73 1rqg h PHE 107 Ca 0.01 0.05 -0.08 0.00 2.81 0.00 0.00 57.97 60.76 1rqg h PHE 107 Cb 0.53 0.14 -0.02 0.00 3.61 0.00 0.00 35.95 40.21 1rqg h PHE 107 CO 0.09 -0.19 0.06 0.35 -1.61 0.00 0.00 178.31 177.01 1rqg h PHE 108 N 0.09 1.03 -0.13 -0.55 3.57 -0.59 -2.42 116.94 117.94 1rqg h PHE 108 Ca 0.31 -0.14 -0.12 0.00 3.53 0.00 0.00 57.97 61.55 1rqg h PHE 108 Cb 0.50 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 1rqg h PHE 108 CO -0.40 0.89 -0.44 1.25 -2.23 0.00 0.00 178.31 177.39 1rqg h LEU 109 N 0.91 0.32 -1.25 0.59 6.46 0.12 -1.39 115.31 121.07 1rqg h LEU 109 Ca 0.18 -0.14 -0.08 0.00 -0.12 0.00 0.00 57.88 57.72 1rqg h LEU 109 Cb 0.45 -0.09 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1rqg h LEU 109 CO 0.02 0.72 -0.37 0.11 -0.62 0.00 0.00 178.44 178.30 1rqg h LYS 110 N 0.25 0.00 0.01 1.25 1.79 0.64 -1.01 116.57 119.50 1rqg h LYS 110 Ca 0.02 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.30 1rqg h LYS 110 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 1rqg h LYS 110 CO 0.07 0.37 -0.87 0.00 -1.08 0.00 0.00 179.45 177.94 1rqg h ALA 111 N 1.63 0.54 0.53 3.86 0.00 -0.94 -2.57 119.26 122.32 1rqg h ALA 111 Ca -0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 54.91 54.14 1rqg h ALA 111 Cb 0.68 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1rqg h ALA 111 CO 0.05 0.95 -0.26 -0.92 0.00 0.00 0.00 179.25 179.07 1rqg h TYR 112 N 0.07 -0.67 0.00 0.00 3.20 -0.64 -1.88 116.97 117.06 1rqg h TYR 112 Ca -0.04 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.82 1rqg h TYR 112 Cb 1.50 0.22 0.00 0.00 1.54 0.00 0.00 36.73 39.99 1rqg h TYR 112 CO 0.02 -0.35 0.18 0.93 -1.64 0.00 0.00 178.16 177.31 1rqg h GLU 113 N -0.91 0.00 -0.29 1.82 5.08 -1.19 -0.87 114.58 118.22 1rqg h GLU 113 Ca -0.07 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.14 1rqg h GLU 113 Cb 0.62 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 29.78 1rqg h GLU 113 CO 0.12 0.00 -0.13 0.09 -1.00 0.00 0.00 179.01 178.09 1rqg n ASN 114 N -2.82 2.45 -4.33 1.42 5.03 -0.97 -4.95 115.26 111.09 1rqg n ASN 114 Ca -0.02 -3.73 -0.34 0.00 0.87 0.00 0.00 54.58 51.36 1rqg n ASN 114 Cb 0.23 -0.61 -0.08 0.00 -1.02 0.00 0.00 39.78 38.30 1rqg n ASN 114 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rqg n GLY 115 N -1.09 -0.23 1.00 7.41 0.00 -0.33 -4.81 105.19 107.14 1rqg n GLY 115 Ca 0.30 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.56 1rqg n GLY 115 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rqg n HIS 116 N -4.42 0.54 -4.35 1.61 8.25 -0.71 -4.97 115.22 111.18 1rqg n HIS 116 Ca -0.18 -0.33 -0.26 0.00 -0.26 0.00 0.00 57.72 56.68 1rqg n HIS 116 Cb 0.62 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.63 1rqg n HIS 116 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rqg s LEU 117 N -1.20 3.01 -0.28 2.41 1.43 -1.23 -1.26 118.68 121.55 1rqg s LEU 117 Ca 0.35 -1.19 -0.08 0.00 -1.03 0.00 0.00 54.13 52.18 1rqg s LEU 117 Cb 0.19 -1.21 0.13 0.00 0.03 0.00 0.00 46.19 45.33 1rqg s LEU 117 CO 0.26 -0.48 0.59 0.54 0.23 0.00 0.00 176.35 177.50 1rqg s VAL 118 N -2.64 -0.92 0.51 -1.59 0.11 -0.59 -4.90 120.40 110.38 1rqg s VAL 118 Ca 0.38 0.03 -0.20 0.00 -2.93 0.00 0.00 61.98 59.26 1rqg s VAL 118 Cb 0.06 -0.93 -0.07 0.00 -1.53 0.00 0.00 36.38 33.90 1rqg s VAL 118 CO 0.20 0.01 1.07 -0.75 -3.33 0.00 0.00 175.10 172.30 1rqg s LYS 119 N 2.83 3.61 -0.16 1.54 2.20 -1.26 -1.27 119.74 127.23 1rqg s LYS 119 Ca -0.01 1.44 -0.21 0.00 -0.36 0.00 0.00 55.97 56.83 1rqg s LYS 119 Cb -0.13 -2.06 0.05 0.00 -1.51 0.00 0.00 37.83 34.19 1rqg s LYS 119 CO -0.18 -0.61 0.55 0.15 -0.36 0.00 0.00 175.35 174.90 1rqg s LYS 120 N -3.31 0.72 -0.19 4.03 1.02 -0.07 -4.92 119.74 117.02 1rqg s LYS 120 Ca 0.69 0.56 -0.05 0.00 0.02 0.00 0.00 55.97 57.19 1rqg s LYS 120 Cb -0.19 0.35 -0.03 0.00 -0.52 0.00 0.00 37.83 37.44 1rqg s LYS 120 CO 0.23 -0.13 -0.00 0.08 -0.92 0.00 0.00 175.35 174.61 1rqg s VAL 121 N -0.17 4.06 0.18 3.17 1.01 -1.26 -0.67 120.40 126.73 1rqg s VAL 121 Ca -0.04 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.74 1rqg s VAL 121 Cb -0.03 -2.82 -0.04 0.00 0.00 0.00 0.00 36.38 33.48 1rqg s VAL 121 CO 0.03 0.45 -0.16 -0.89 0.00 0.00 0.00 175.10 174.53 1rqg s THR 122 N 0.73 1.76 -0.13 3.92 2.01 0.53 -4.89 115.64 119.56 1rqg s THR 122 Ca 0.00 -2.05 -0.22 0.00 0.31 0.00 0.00 61.69 59.73 1rqg s THR 122 Cb -0.14 -1.92 -0.03 0.00 0.01 0.00 0.00 72.50 70.42 1rqg s THR 122 CO 0.02 -0.46 0.69 -1.59 -0.69 0.00 0.00 174.62 172.59 1rqg s LYS 123 N -3.20 4.33 0.32 4.92 -2.85 -1.26 0.17 119.74 122.17 1rqg s LYS 123 Ca 0.19 0.79 0.07 0.00 -1.00 0.00 0.00 55.97 56.01 1rqg s LYS 123 Cb -0.03 -3.51 -0.03 0.00 -2.06 0.00 0.00 37.83 32.19 1rqg s LYS 123 CO 0.07 -0.11 0.26 -0.65 0.10 0.00 0.00 175.35 175.02 1rqg s GLN 124 N 1.42 1.71 0.90 1.78 -0.21 -0.67 -4.91 119.66 119.68 1rqg s GLN 124 Ca 0.34 -1.98 -0.11 0.00 0.02 0.00 0.00 55.36 53.62 1rqg s GLN 124 Cb -0.17 0.31 0.13 0.00 1.00 0.00 0.00 33.01 34.29 1rqg s GLN 124 CO 0.14 -0.62 1.09 0.00 -2.12 0.00 0.00 175.29 173.78 1rqg s ALA 125 N -3.51 1.50 -0.02 6.09 0.00 -1.26 -0.45 121.76 124.11 1rqg s ALA 125 Ca 0.41 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.19 1rqg s ALA 125 Cb 0.03 -3.26 0.11 0.00 0.00 0.00 0.00 23.12 19.99 1rqg s ALA 125 CO 0.26 -2.44 1.04 -0.47 0.00 0.00 0.00 175.76 174.15 1rqg s TYR 126 N -2.83 -0.21 -0.05 0.00 5.04 -0.15 -3.28 117.35 115.88 1rqg s TYR 126 Ca 0.64 0.06 0.02 0.00 -2.44 0.00 0.00 57.07 55.35 1rqg s TYR 126 Cb -0.19 0.55 0.01 0.00 0.35 0.00 0.00 41.96 42.68 1rqg s TYR 126 CO 0.58 -0.48 -0.10 0.00 -1.34 0.00 0.00 175.55 174.20 1rqg n GLU 128 N 3.66 0.67 0.28 0.00 -0.58 -1.26 -1.44 120.64 121.97 1rqg n GLU 128 Ca -0.22 0.12 0.17 0.00 -0.42 0.00 0.00 57.16 56.82 1rqg n GLU 128 Cb 0.52 -1.63 0.70 0.00 -0.57 0.00 0.00 31.44 30.47 1rqg n GLU 128 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1rqg h HIS 129 N 0.00 0.00 -0.00 -0.32 2.76 -1.98 -3.05 115.15 112.56 1rqg h HIS 129 Ca -0.45 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.72 1rqg h HIS 129 Cb 2.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 31.10 1rqg h HIS 129 CO 0.01 0.00 -0.00 -0.25 -1.30 0.00 0.00 177.93 176.38 1rqg n ASP 130 N -3.09 1.16 -4.23 3.26 10.43 -1.25 -5.03 116.55 117.80 1rqg n ASP 130 Ca 0.00 -1.08 -0.33 0.00 2.57 0.00 0.00 54.79 55.95 1rqg n ASP 130 Cb 0.30 0.04 -0.05 0.00 1.84 0.00 0.00 41.12 43.25 1rqg n ASP 130 CO 0.00 0.00 0.00 2.29 -1.07 0.00 0.00 177.20 178.42 1rqg n LYS 131 N 0.09 -2.33 -3.78 -1.24 -0.00 -0.52 -4.96 118.16 105.43 1rqg n LYS 131 Ca 0.01 0.28 -0.13 0.00 -0.00 0.00 0.00 58.31 58.48 1rqg n LYS 131 Cb 0.06 -4.56 -0.10 0.00 -0.00 0.00 0.00 35.03 30.44 1rqg n LYS 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1rqg s MET 132 N -6.98 0.55 0.93 -1.58 0.23 -1.05 -5.00 119.30 106.40 1rqg s MET 132 Ca 0.40 -0.04 -0.11 0.00 -1.03 0.00 0.00 55.69 54.91 1rqg s MET 132 Cb -0.22 0.24 0.15 0.00 -1.53 0.00 0.00 34.83 33.47 1rqg s MET 132 CO 0.95 -0.13 1.10 -0.06 -2.03 0.00 0.00 175.02 174.85 1rqg s PHE 133 N -0.89 1.87 -0.56 3.16 0.40 -1.26 -1.74 117.98 118.96 1rqg s PHE 133 Ca -0.10 1.54 0.07 0.00 -0.60 0.00 0.00 56.93 57.84 1rqg s PHE 133 Cb -0.05 -3.21 0.25 0.00 0.51 0.00 0.00 43.02 40.52 1rqg s PHE 133 CO 0.03 -2.75 0.67 1.28 0.70 0.00 0.00 175.22 175.15 1rqg n LEU 134 N -4.17 2.60 -4.63 -0.37 4.77 -1.21 -4.81 117.00 109.18 1rqg n LEU 134 Ca 0.09 -5.20 -0.32 0.00 -0.03 0.00 0.00 56.01 50.55 1rqg n LEU 134 Cb 0.53 -0.25 0.15 0.00 -2.33 0.00 0.00 43.42 41.52 1rqg n LEU 134 CO 0.53 2.05 0.57 -2.65 -1.33 0.00 0.00 177.39 176.56 1rqg n PRO 135 N 1.07 -0.30 0.00 3.23 -0.02 -1.26 -4.66 135.00 133.05 1rqg n PRO 135 Ca 0.27 -0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 1rqg n PRO 135 Cb 0.45 -2.30 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 1rqg n PRO 135 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1rqg n ASP 136 N -3.55 0.00 0.00 2.55 9.92 -1.26 -1.53 116.55 122.68 1rqg n ASP 136 Ca 0.11 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.37 1rqg n ASP 136 Cb 0.52 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 41.00 1rqg n ASP 136 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19 1rqg n ARG 137 N 0.00 0.00 0.00 -1.24 0.63 -1.26 -1.60 116.66 113.19 1rqg n ARG 137 Ca 0.00 0.00 0.11 0.00 -0.92 0.00 0.00 57.85 57.04 1rqg n ARG 137 Cb 0.00 -1.00 -0.00 0.00 0.45 0.00 0.00 32.46 31.91 1rqg n ARG 137 CO 0.00 0.00 0.00 1.19 -2.51 0.00 0.00 177.63 176.31 1rqg n PHE 138 N -0.33 0.00 -2.14 -0.14 3.01 -0.58 -4.58 117.46 112.70 1rqg n PHE 138 Ca 0.00 0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.05 1rqg n PHE 138 Cb 0.00 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 39.43 1rqg n PHE 138 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 1rqg s VAL 139 N -2.61 2.90 -0.30 -4.37 0.11 -0.63 -1.78 120.40 113.72 1rqg s VAL 139 Ca 0.16 0.81 -0.03 0.00 -2.93 0.00 0.00 61.98 59.99 1rqg s VAL 139 Cb 0.18 -3.52 0.11 0.00 -1.53 0.00 0.00 36.38 31.62 1rqg s VAL 139 CO 0.64 0.16 0.16 -0.63 -3.33 0.00 0.00 175.10 172.10 1rqg s ILE 140 N -0.48 -0.06 0.00 7.04 1.01 -1.17 -4.18 121.20 123.36 1rqg s ILE 140 Ca 0.54 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.28 1rqg s ILE 140 Cb -0.39 -1.00 0.00 0.00 0.01 0.00 0.00 42.46 41.08 1rqg s ILE 140 CO 0.45 -0.75 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1rqg n GLY 141 N 5.03 2.72 3.85 6.18 0.00 -1.25 -2.67 105.19 119.05 1rqg n GLY 141 Ca -0.02 -0.94 -0.30 0.00 0.00 0.00 0.00 46.02 44.75 1rqg n GLY 141 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1rqg s THR 142 N -2.86 3.68 0.73 2.61 -1.32 0.83 -1.64 115.64 117.67 1rqg s THR 142 Ca 0.00 0.54 -0.11 0.00 -1.21 0.00 0.00 61.69 60.92 1rqg s THR 142 Cb 0.00 -3.44 0.03 0.00 -1.51 0.00 0.00 72.50 67.58 1rqg s THR 142 CO 0.00 -0.71 1.07 0.00 -2.21 0.00 0.00 174.62 172.77 1rqg n PRO 144 N -3.23 3.71 0.00 0.00 -0.07 -1.26 -4.02 135.00 130.14 1rqg n PRO 144 Ca 0.07 -4.60 0.00 0.00 -0.07 0.00 0.00 63.50 58.91 1rqg n PRO 144 Cb 0.54 -2.42 0.00 0.00 -0.07 0.00 0.00 33.50 31.55 1rqg n PRO 144 CO 0.00 0.00 0.00 0.98 -0.07 0.00 0.00 175.50 176.41 1rqg n TYR 145 N 1.21 0.00 -0.03 0.58 -0.00 -1.26 -4.87 117.16 112.79 1rqg n TYR 145 Ca 0.27 0.00 -0.03 0.00 -0.00 0.00 0.00 57.90 58.14 1rqg n TYR 145 Cb 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.65 1rqg n TYR 145 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 1rqg n GLY 147 N 2.59 0.83 3.40 0.00 0.00 -1.26 -4.95 105.19 105.80 1rqg n GLY 147 Ca -0.11 -0.63 -0.29 0.00 0.00 0.00 0.00 46.02 45.00 1rqg n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rqg s ALA 148 N -1.96 2.40 0.26 4.61 0.00 -1.26 -4.75 121.76 121.06 1rqg s ALA 148 Ca 0.00 -1.45 -0.29 0.00 0.00 0.00 0.00 51.96 50.21 1rqg s ALA 148 Cb 0.00 -0.41 -0.09 0.00 0.00 0.00 0.00 23.12 22.62 1rqg s ALA 148 CO 0.00 0.54 1.16 -1.21 0.00 0.00 0.00 175.76 176.25 1rqg s GLU 149 N -2.03 4.56 -0.16 0.00 8.01 -1.26 -2.47 118.70 125.35 1rqg s GLU 149 Ca 0.14 1.89 -0.09 0.00 0.01 0.00 0.00 54.97 56.93 1rqg s GLU 149 Cb -0.10 -3.18 0.03 0.00 -4.31 0.00 0.00 34.13 26.57 1rqg s GLU 149 CO 0.06 0.07 0.17 -0.40 0.01 0.00 0.00 175.26 175.17 1rqg n ASP 150 N 1.47 -1.45 -3.74 -0.19 3.85 -0.87 -4.97 116.55 110.65 1rqg n ASP 150 Ca 0.00 1.07 -0.22 0.00 -0.71 0.00 0.00 54.79 54.94 1rqg n ASP 150 Cb 0.44 -4.39 -0.18 0.00 -1.35 0.00 0.00 41.12 35.65 1rqg n ASP 150 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.20 174.61 1rqg s GLN 151 N -0.82 0.38 0.31 0.11 2.00 -0.65 -4.88 119.66 116.12 1rqg s GLN 151 Ca -0.20 0.20 0.10 0.00 -2.00 0.00 0.00 55.36 53.45 1rqg s GLN 151 Cb 0.01 -0.82 -0.05 0.00 0.80 0.00 0.00 33.01 32.95 1rqg s GLN 151 CO 0.63 -0.31 -0.03 -1.59 -0.50 0.00 0.00 175.29 173.49 1rqg s LYS 152 N 2.04 2.08 0.98 1.67 -2.85 -1.26 -3.95 119.74 118.44 1rqg s LYS 152 Ca 0.05 -1.66 0.00 0.00 -1.00 0.00 0.00 55.97 53.36 1rqg s LYS 152 Cb -0.12 -1.97 0.00 0.00 -2.06 0.00 0.00 37.83 33.68 1rqg s LYS 152 CO -0.05 0.23 0.00 0.41 0.10 0.00 0.00 175.35 176.04 1rqg n GLY 153 N -0.89 2.50 2.56 0.59 0.00 -1.26 -4.13 105.19 104.56 1rqg n GLY 153 Ca -0.05 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1rqg n GLY 153 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rqg n ASP 154 N 2.31 0.13 0.00 1.61 5.75 -1.26 -4.11 116.55 120.99 1rqg n ASP 154 Ca 0.00 -2.86 0.00 0.00 -0.01 0.00 0.00 54.79 51.92 1rqg n ASP 154 Cb 0.00 0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1rqg n ASP 154 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1rqg n GLN 155 N -0.03 0.00 0.00 0.11 3.00 -1.26 -2.26 117.38 116.94 1rqg n GLN 155 Ca 0.10 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 1rqg n GLN 155 Cb 0.77 -0.40 0.00 0.00 0.00 0.00 0.00 30.24 30.61 1rqg n GLN 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1rqg n GLU 157 N 0.00 0.00 0.01 0.00 1.02 -1.26 -4.99 120.64 115.42 1rqg n GLU 157 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.12 1rqg n GLU 157 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.41 1rqg n GLU 157 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1rqg n VAL 158 N 0.00 1.30 0.00 2.62 3.14 -1.26 -4.98 118.33 119.15 1rqg n VAL 158 Ca 0.00 0.34 0.00 0.00 -2.96 0.00 0.00 64.34 61.72 1rqg n VAL 158 Cb 0.14 -1.78 0.00 0.00 -1.06 0.00 0.00 33.84 31.14 1rqg n VAL 158 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rqg n GLY 160 N -0.22 1.08 2.88 0.00 0.00 -1.26 -5.00 105.19 102.67 1rqg n GLY 160 Ca 0.00 0.67 -0.15 0.00 0.00 0.00 0.00 46.02 46.54 1rqg n GLY 160 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rqg s ARG 161 N 1.03 0.06 -0.32 1.61 3.00 -1.26 -3.60 118.95 119.47 1rqg s ARG 161 Ca 0.80 0.45 -0.05 0.00 -1.00 0.00 0.00 55.73 55.93 1rqg s ARG 161 Cb -0.70 -0.23 0.01 0.00 0.00 0.00 0.00 34.95 34.02 1rqg s ARG 161 CO 0.39 -0.23 0.16 -2.30 0.00 0.00 0.00 175.30 173.33 1rqg n PRO 162 N 4.69 -2.99 -3.93 5.12 -0.01 -0.96 -4.94 135.00 131.98 1rqg n PRO 162 Ca -0.17 2.48 -0.30 0.00 -0.01 0.00 0.00 63.50 65.50 1rqg n PRO 162 Cb 0.51 -5.09 -0.14 0.00 -0.01 0.00 0.00 33.50 28.77 1rqg n PRO 162 CO 0.00 0.00 0.00 -0.48 -0.01 0.00 0.00 175.50 175.01 1rqg s LEU 163 N -1.85 4.32 0.18 2.45 0.05 -1.26 -5.03 118.68 117.53 1rqg s LEU 163 Ca 0.07 -3.14 -0.25 0.00 0.05 0.00 0.00 54.13 50.85 1rqg s LEU 163 Cb -0.02 -1.61 -0.15 0.00 -2.05 0.00 0.00 46.19 42.36 1rqg s LEU 163 CO 0.73 -0.21 0.48 0.41 -0.55 0.00 0.00 176.35 177.21 1rqg n THR 164 N 2.93 1.78 0.23 5.48 -1.04 -1.26 -4.72 114.28 117.67 1rqg n THR 164 Ca 0.08 -0.44 0.08 0.00 -2.04 0.00 0.00 64.05 61.72 1rqg n THR 164 Cb 0.33 0.00 0.41 0.00 -1.82 0.00 0.00 70.33 69.25 1rqg n THR 164 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 1rqg h PRO 165 N 0.93 0.00 0.00 -2.82 0.11 -1.89 -2.68 132.00 125.64 1rqg h PRO 165 Ca -0.26 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.56 1rqg h PRO 165 Cb 1.30 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 32.35 1rqg h PRO 165 CO 0.51 0.00 -2.22 0.39 -0.21 0.00 0.00 178.00 176.48 1rqg n GLU 166 N -2.31 0.94 0.00 1.05 -0.58 -1.26 -4.15 120.64 114.33 1rqg n GLU 166 Ca -0.01 -0.03 0.09 0.00 -0.42 0.00 0.00 57.16 56.79 1rqg n GLU 166 Cb 0.46 -1.47 0.55 0.00 -0.57 0.00 0.00 31.44 30.41 1rqg n GLU 166 CO 0.00 0.00 0.00 1.51 -0.48 0.00 0.00 177.13 178.16 1rqg n ILE 167 N -2.62 0.04 -2.63 -3.67 0.13 -1.01 -4.69 119.36 104.91 1rqg n ILE 167 Ca -0.26 0.01 -0.41 0.00 -1.10 0.00 0.00 62.75 60.99 1rqg n ILE 167 Cb 1.02 -0.71 -0.04 0.00 -0.84 0.00 0.00 39.64 39.07 1rqg n ILE 167 CO 0.00 0.00 0.00 -0.76 2.80 0.00 0.00 176.55 178.59 1rqg s LEU 168 N -2.05 4.50 0.27 9.51 1.43 -1.25 -4.53 118.68 126.56 1rqg s LEU 168 Ca 0.27 1.94 -0.23 0.00 -1.03 0.00 0.00 54.13 55.08 1rqg s LEU 168 Cb 0.13 -3.60 -0.09 0.00 0.03 0.00 0.00 46.19 42.66 1rqg s LEU 168 CO 0.22 -0.13 0.83 -0.63 0.23 0.00 0.00 176.35 176.88 1rqg s ILE 169 N -0.15 4.38 -0.99 -0.59 1.01 -1.04 -4.35 121.20 119.48 1rqg s ILE 169 Ca 0.48 1.57 -0.07 0.00 0.00 0.00 0.00 60.65 62.63 1rqg s ILE 169 Cb -0.26 -3.95 -0.04 0.00 0.01 0.00 0.00 42.46 38.22 1rqg s ILE 169 CO 0.32 0.20 0.84 0.59 0.00 0.00 0.00 174.94 176.89 1rqg n ASN 170 N 0.70 -6.63 -4.61 3.58 5.03 -1.26 -0.12 115.26 111.95 1rqg n ASN 170 Ca -0.00 -0.63 -0.43 0.00 0.87 0.00 0.00 54.58 54.39 1rqg n ASN 170 Cb 0.50 -4.81 -0.03 0.00 -1.02 0.00 0.00 39.78 34.42 1rqg n ASN 170 CO 0.00 0.00 0.00 -2.84 -1.83 0.00 0.00 177.26 172.59 1rqg s PRO 171 N -4.38 3.42 -0.06 3.52 0.02 -1.26 -4.41 135.00 131.85 1rqg s PRO 171 Ca 0.35 1.95 0.00 0.00 0.02 0.00 0.00 61.00 63.32 1rqg s PRO 171 Cb -0.06 -4.26 0.02 0.00 0.02 0.00 0.00 34.50 30.22 1rqg s PRO 171 CO 0.77 -1.77 -0.03 1.03 -0.33 0.00 0.00 177.00 176.67 1rqg s ARG 172 N 5.69 0.79 0.15 5.54 0.52 -1.09 -0.91 118.95 129.64 1rqg s ARG 172 Ca 0.91 -0.05 -0.34 0.00 -0.52 0.00 0.00 55.73 55.73 1rqg s ARG 172 Cb -0.31 -0.91 -0.16 0.00 0.52 0.00 0.00 34.95 34.09 1rqg s ARG 172 CO 0.35 -0.15 1.22 0.00 0.02 0.00 0.00 175.30 176.73 1rqg h ALA 174 N 3.74 0.77 -0.65 0.00 0.00 -1.66 0.65 119.26 122.11 1rqg h ALA 174 Ca -0.45 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 54.17 1rqg h ALA 174 Cb 1.34 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.89 1rqg h ALA 174 CO 0.72 0.66 0.34 0.82 0.00 0.00 0.00 179.25 181.80 1rqg h ILE 175 N 0.85 0.91 0.00 0.00 2.04 -1.89 -3.34 117.51 116.07 1rqg h ILE 175 Ca 0.12 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1rqg h ILE 175 Cb 0.72 0.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.05 1rqg h ILE 175 CO 0.06 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.32 1rqg n GLY 177 N -0.09 1.48 3.68 0.00 0.00 0.23 -4.98 105.19 105.51 1rqg n GLY 177 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1rqg n GLY 177 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rqg s ARG 178 N -0.09 4.19 0.09 1.61 1.81 -1.25 -4.44 118.95 120.88 1rqg s ARG 178 Ca 0.00 2.36 -0.35 0.00 -1.72 0.00 0.00 55.73 56.02 1rqg s ARG 178 Cb 0.00 -3.69 -0.15 0.00 -0.45 0.00 0.00 34.95 30.66 1rqg s ARG 178 CO 0.00 -0.78 1.55 -2.30 -0.68 0.00 0.00 175.30 173.09 1rqg n PRO 179 N 5.96 1.82 -0.94 3.54 -0.02 -1.26 0.00 135.00 144.10 1rqg n PRO 179 Ca 0.16 0.66 -0.35 0.00 -2.02 0.00 0.00 63.50 61.95 1rqg n PRO 179 Cb 0.41 -2.40 0.06 0.00 -0.02 0.00 0.00 33.50 31.55 1rqg n PRO 179 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1rqg n ILE 180 N 3.39 0.01 -4.49 4.25 -5.35 -0.09 -4.76 119.36 112.32 1rqg n ILE 180 Ca 0.18 -0.41 -0.23 0.00 -0.27 0.00 0.00 62.75 62.02 1rqg n ILE 180 Cb 0.25 -0.19 -0.10 0.00 -1.74 0.00 0.00 39.64 37.86 1rqg n ILE 180 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 1rqg s SER 181 N -1.31 2.69 -0.23 7.28 0.01 0.70 -4.94 113.70 117.90 1rqg s SER 181 Ca 0.45 -1.43 -0.00 0.00 1.31 0.00 0.00 55.95 56.28 1rqg s SER 181 Cb -0.19 0.00 0.06 0.00 0.21 0.00 0.00 66.02 66.10 1rqg s SER 181 CO 0.78 -0.65 -0.02 -0.36 0.41 0.00 0.00 173.24 173.40 1rqg s PHE 182 N -3.20 2.06 -0.10 2.43 0.08 -1.26 -0.97 117.98 117.01 1rqg s PHE 182 Ca 0.33 -1.57 0.04 0.00 0.12 0.00 0.00 56.93 55.84 1rqg s PHE 182 Cb 0.08 -1.49 0.00 0.00 -0.57 0.00 0.00 43.02 41.04 1rqg s PHE 182 CO 0.15 -0.75 -0.23 1.03 -0.10 0.00 0.00 175.22 175.33 1rqg s ARG 183 N 1.51 2.93 0.41 0.44 3.00 0.40 -4.85 118.95 122.80 1rqg s ARG 183 Ca -0.03 -0.84 -0.24 0.00 0.00 0.00 0.00 55.73 54.62 1rqg s ARG 183 Cb -0.18 -2.24 -0.08 0.00 0.00 0.00 0.00 34.95 32.44 1rqg s ARG 183 CO -0.08 0.14 1.11 0.16 0.00 0.00 0.00 175.30 176.63 1rqg s ASP 184 N 0.44 6.56 0.04 0.23 -4.77 -1.26 -1.67 116.67 116.24 1rqg s ASP 184 Ca -0.17 2.18 -0.03 0.00 -3.30 0.00 0.00 52.55 51.23 1rqg s ASP 184 Cb -0.17 -2.60 -0.02 0.00 -1.09 0.00 0.00 42.92 39.04 1rqg s ASP 184 CO 0.07 -0.64 0.04 -0.55 0.70 0.00 0.00 175.17 174.79 1rqg s SER 185 N -1.40 0.28 -0.20 2.11 0.15 0.46 -4.86 113.70 110.24 1rqg s SER 185 Ca 0.59 -0.68 -0.09 0.00 0.70 0.00 0.00 55.95 56.47 1rqg s SER 185 Cb -0.26 0.20 -0.04 0.00 -1.71 0.00 0.00 66.02 64.21 1rqg s SER 185 CO 0.32 -0.52 0.10 0.00 1.20 0.00 0.00 173.24 174.35 1rqg s ALA 186 N -2.91 3.52 0.02 5.45 0.00 -1.26 -0.34 121.76 126.24 1rqg s ALA 186 Ca -0.02 -0.77 0.01 0.00 0.00 0.00 0.00 51.96 51.18 1rqg s ALA 186 Cb 0.01 -2.08 -0.02 0.00 0.00 0.00 0.00 23.12 21.03 1rqg s ALA 186 CO -0.06 0.08 -0.05 -1.01 0.00 0.00 0.00 175.76 174.71 1rqg s HIS 187 N 0.54 0.46 0.21 0.00 3.76 0.15 -4.93 115.29 115.48 1rqg s HIS 187 Ca 0.05 -0.39 -0.15 0.00 -0.15 0.00 0.00 55.06 54.42 1rqg s HIS 187 Cb -0.12 -0.29 -0.08 0.00 1.11 0.00 0.00 32.58 33.20 1rqg s HIS 187 CO 0.00 -0.09 0.64 0.71 -0.85 0.00 0.00 174.74 175.15 1rqg s TYR 188 N -1.07 3.55 0.22 1.40 2.02 -1.26 -0.89 117.35 121.31 1rqg s TYR 188 Ca -0.09 1.17 0.07 0.00 -0.37 0.00 0.00 57.07 57.85 1rqg s TYR 188 Cb -0.08 -2.46 -0.05 0.00 -0.40 0.00 0.00 41.96 38.97 1rqg s TYR 188 CO -0.00 0.32 -0.11 0.71 -1.57 0.00 0.00 175.55 174.90 1rqg s TYR 189 N -1.63 1.70 -0.19 2.71 1.51 -0.40 -2.09 117.35 118.97 1rqg s TYR 189 Ca 0.44 -0.65 -0.04 0.00 -1.01 0.00 0.00 57.07 55.81 1rqg s TYR 189 Cb -0.14 -0.86 -0.02 0.00 -0.11 0.00 0.00 41.96 40.83 1rqg s TYR 189 CO 0.20 0.27 -0.04 -1.50 -1.11 0.00 0.00 175.55 173.37 1rqg s ILE 190 N -3.06 3.64 -1.16 2.71 2.07 0.13 -1.55 121.20 123.97 1rqg s ILE 190 Ca 0.24 -0.43 -0.18 0.00 -1.41 0.00 0.00 60.65 58.87 1rqg s ILE 190 Cb 0.01 -2.62 -0.04 0.00 0.13 0.00 0.00 42.46 39.94 1rqg s ILE 190 CO 0.07 0.45 2.01 0.29 -1.91 0.00 0.00 174.94 175.86 1rqg n LYS 191 N 4.18 2.29 -0.42 3.50 5.02 -0.39 -1.99 118.16 130.34 1rqg n LYS 191 Ca -0.18 -2.43 0.37 0.00 -2.02 0.00 0.00 58.31 54.06 1rqg n LYS 191 Cb 0.52 -3.25 0.71 0.00 -0.02 0.00 0.00 35.03 32.99 1rqg n LYS 191 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 1rqg h MET 192 N 7.35 0.07 -0.31 1.97 2.86 -1.83 0.48 114.93 125.53 1rqg h MET 192 Ca 0.46 -0.00 0.09 0.00 -2.06 0.00 0.00 59.70 58.18 1rqg h MET 192 Cb 0.72 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 32.35 1rqg h MET 192 CO 1.77 0.05 0.28 0.37 1.06 0.00 0.00 176.91 180.43 1rqg h GLN 193 N 0.07 0.00 0.00 1.72 5.75 -1.82 0.22 115.11 121.05 1rqg h GLN 193 Ca 0.69 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 59.19 1rqg h GLN 193 Cb 2.51 0.00 0.00 0.00 1.07 0.00 0.00 27.48 31.06 1rqg h GLN 193 CO -0.11 0.00 0.00 -0.44 -2.65 0.00 0.00 178.83 175.63 1rqg h ASP 194 N 0.00 0.00 -0.00 -0.69 5.19 -0.38 -2.99 116.42 117.54 1rqg h ASP 194 Ca 0.15 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.56 1rqg h ASP 194 Cb 0.71 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.22 1rqg h ASP 194 CO -0.00 0.00 -0.07 0.49 -3.12 0.00 0.00 179.24 176.54 1rqg n PHE 195 N -2.72 0.00 -0.24 4.55 3.01 0.05 -4.79 117.46 117.32 1rqg n PHE 195 Ca -0.01 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.38 1rqg n PHE 195 Cb 0.12 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.58 1rqg n PHE 195 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1rqg h ALA 196 N 0.48 -0.19 0.81 4.37 0.00 -1.39 0.39 119.26 123.73 1rqg h ALA 196 Ca 0.00 0.15 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 1rqg h ALA 196 Cb 0.09 0.93 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1rqg h ALA 196 CO 0.00 -0.76 -0.39 1.49 0.00 0.00 0.00 179.25 179.59 1rqg h GLU 197 N -0.17 -1.05 -0.80 0.00 4.57 -1.87 -0.41 114.58 114.86 1rqg h GLU 197 Ca 0.21 0.07 0.17 0.00 -1.18 0.00 0.00 59.36 58.63 1rqg h GLU 197 Cb 0.56 0.24 -0.05 0.00 -0.16 0.00 0.00 28.75 29.33 1rqg h GLU 197 CO -0.73 -0.69 0.53 -0.09 -1.18 0.00 0.00 179.01 176.85 1rqg h ARG 198 N -1.15 0.38 0.44 1.92 2.43 -1.80 0.13 114.38 116.72 1rqg h ARG 198 Ca -0.11 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.01 1rqg h ARG 198 Cb 0.85 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 1rqg h ARG 198 CO 0.18 0.25 -0.21 -0.07 -1.51 0.00 0.00 179.97 178.61 1rqg h LEU 199 N 0.39 -0.50 -0.97 3.80 3.38 0.06 -2.02 115.31 119.46 1rqg h LEU 199 Ca 0.40 0.02 0.27 0.00 0.09 0.00 0.00 57.88 58.65 1rqg h LEU 199 Cb 0.97 0.13 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 1rqg h LEU 199 CO -0.13 -0.22 0.50 0.50 0.09 0.00 0.00 178.44 179.18 1rqg h LYS 200 N -0.87 0.38 -0.49 1.13 3.11 -0.47 0.36 116.57 119.73 1rqg h LYS 200 Ca -0.06 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.73 1rqg h LYS 200 Cb 0.45 -0.09 -0.02 0.00 -1.00 0.00 0.00 32.23 31.58 1rqg h LYS 200 CO 0.10 0.25 0.19 0.00 -2.81 0.00 0.00 179.45 177.18 1rqg h ARG 201 N 0.39 0.74 -0.21 1.90 2.47 -0.77 -1.63 114.38 117.28 1rqg h ARG 201 Ca 0.65 -0.14 -0.04 0.00 -1.26 0.00 0.00 59.98 59.19 1rqg h ARG 201 Cb 1.36 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 29.56 1rqg h ARG 201 CO -0.56 0.67 -0.03 2.35 0.56 0.00 0.00 179.97 182.96 1rqg h TRP 202 N 0.66 0.43 -0.79 3.04 7.01 0.35 -2.95 115.95 123.70 1rqg h TRP 202 Ca 0.16 -0.09 0.08 0.00 2.11 0.00 0.00 58.89 61.16 1rqg h TRP 202 Cb 0.21 -0.11 -0.05 0.00 -2.10 0.00 0.00 29.16 27.11 1rqg h TRP 202 CO 0.01 0.61 0.52 0.82 -2.79 0.00 0.00 178.44 177.61 1rqg h ILE 203 N 0.13 1.00 0.00 2.65 2.04 -0.68 -2.99 117.51 119.65 1rqg h ILE 203 Ca 0.06 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.64 1rqg h ILE 203 Cb 0.46 0.13 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 1rqg h ILE 203 CO 0.02 0.15 0.00 -0.62 0.00 0.00 0.00 178.15 177.69 1rqg n GLU 204 N -4.49 0.00 -1.16 2.37 -0.58 -0.62 -3.11 120.64 113.04 1rqg n GLU 204 Ca 0.12 0.65 -0.41 0.00 -0.42 0.00 0.00 57.16 57.11 1rqg n GLU 204 Cb 0.27 -1.38 -0.05 0.00 -0.57 0.00 0.00 31.44 29.71 1rqg n GLU 204 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1rqg n LYS 205 N -2.12 1.69 -3.65 3.49 5.02 -1.13 -4.80 118.16 116.66 1rqg n LYS 205 Ca 0.00 -1.88 -0.11 0.00 -2.02 0.00 0.00 58.31 54.31 1rqg n LYS 205 Cb 0.00 -2.91 -0.08 0.00 -0.02 0.00 0.00 35.03 32.03 1rqg n LYS 205 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 1rqg s GLN 206 N 4.67 0.72 0.00 1.97 0.74 -1.18 -5.00 119.66 121.57 1rqg s GLN 206 Ca 0.55 1.05 0.00 0.00 0.05 0.00 0.00 55.36 57.01 1rqg s GLN 206 Cb 0.14 0.25 0.00 0.00 1.10 0.00 0.00 33.01 34.50 1rqg s GLN 206 CO 0.08 -0.12 0.26 -2.30 -0.55 0.00 0.00 175.29 172.66 1rqg n PRO 207 N 3.51 0.17 -3.33 1.67 -0.02 -1.26 -4.87 135.00 130.87 1rqg n PRO 207 Ca -0.17 0.00 -0.26 0.00 -2.02 0.00 0.00 63.50 61.05 1rqg n PRO 207 Cb 0.57 -1.42 -0.02 0.00 -0.02 0.00 0.00 33.50 32.61 1rqg n PRO 207 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1rqg s TRP 208 N 1.28 3.50 0.21 6.00 0.51 -1.26 -5.05 118.94 124.13 1rqg s TRP 208 Ca 0.00 0.47 -0.30 0.00 -2.12 0.00 0.00 56.10 54.15 1rqg s TRP 208 Cb 0.00 -1.99 -0.08 0.00 -0.81 0.00 0.00 33.47 30.59 1rqg s TRP 208 CO 0.00 0.12 1.13 -1.59 -0.51 0.00 0.00 176.95 176.11 1rqg s LYS 209 N -4.05 4.57 0.29 4.98 -2.85 -1.26 -4.74 119.74 116.68 1rqg s LYS 209 Ca 0.42 1.80 0.02 0.00 -1.00 0.00 0.00 55.97 57.21 1rqg s LYS 209 Cb -0.10 -3.23 0.72 0.00 -2.06 0.00 0.00 37.83 33.16 1rqg s LYS 209 CO 0.34 0.06 1.65 -1.35 0.10 0.00 0.00 175.35 176.16 1rqg h PRO 210 N 4.71 0.20 0.00 1.78 0.11 -1.96 0.35 132.00 137.18 1rqg h PRO 210 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1rqg h PRO 210 Cb 1.21 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1rqg h PRO 210 CO 0.71 0.13 0.34 0.09 -0.21 0.00 0.00 178.00 179.07 1rqg n ASN 211 N -5.22 0.16 0.01 -2.05 5.03 -1.26 -0.64 115.26 111.29 1rqg n ASN 211 Ca 0.22 0.39 -0.00 0.00 0.87 0.00 0.00 54.58 56.05 1rqg n ASN 211 Cb 0.70 -0.33 -0.00 0.00 -1.02 0.00 0.00 39.78 39.12 1rqg n ASN 211 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 1rqg n VAL 212 N -1.69 0.43 -0.28 2.41 0.31 0.11 -4.43 118.33 115.18 1rqg n VAL 212 Ca -0.00 0.17 -0.02 0.00 -0.01 0.00 0.00 64.34 64.47 1rqg n VAL 212 Cb 0.35 -1.27 0.02 0.00 -0.91 0.00 0.00 33.84 32.03 1rqg n VAL 212 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1rqg n LYS 213 N -2.87 -0.19 0.33 5.55 4.81 -0.25 -0.03 118.16 125.51 1rqg n LYS 213 Ca -0.01 1.10 -0.13 0.00 -0.87 0.00 0.00 58.31 58.40 1rqg n LYS 213 Cb 0.02 -1.63 -0.06 0.00 0.02 0.00 0.00 35.03 33.37 1rqg n LYS 213 CO 0.00 0.00 0.00 -0.91 1.17 0.00 0.00 177.40 177.66 1rqg h ASN 214 N 0.00 -0.74 -1.18 3.14 4.21 -1.11 -1.84 115.58 118.06 1rqg h ASN 214 Ca 0.23 0.03 0.33 0.00 1.21 0.00 0.00 56.30 58.10 1rqg h ASN 214 Cb 0.41 0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 37.72 1rqg h ASN 214 CO -0.71 -0.42 0.80 0.24 -1.29 0.00 0.00 177.43 176.05 1rqg h MET 215 N -1.09 0.17 0.15 0.81 2.86 -1.34 0.57 114.93 117.06 1rqg h MET 215 Ca -0.09 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.53 1rqg h MET 215 Cb 0.67 -0.04 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1rqg h MET 215 CO 0.15 0.11 -0.07 0.28 1.06 0.00 0.00 176.91 178.43 1rqg h VAL 216 N 0.17 0.98 -0.56 -2.22 2.07 -0.33 -2.29 116.25 114.08 1rqg h VAL 216 Ca 0.63 -0.72 0.11 0.00 0.82 0.00 0.00 66.70 67.54 1rqg h VAL 216 Cb 2.06 1.42 -0.09 0.00 -1.52 0.00 0.00 31.29 33.15 1rqg h VAL 216 CO -0.18 0.16 0.01 -0.07 0.02 0.00 0.00 177.57 177.51 1rqg h LEU 217 N -0.56 -0.22 0.26 2.57 3.38 0.93 -1.39 115.31 120.28 1rqg h LEU 217 Ca -0.02 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1rqg h LEU 217 Cb 0.43 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 1rqg h LEU 217 CO 0.03 -0.08 -0.46 -1.28 0.09 0.00 0.00 178.44 176.75 1rqg h SER 218 N 0.13 -1.32 -1.40 -0.43 0.87 -1.00 0.26 113.55 110.66 1rqg h SER 218 Ca 0.29 0.12 0.45 0.00 -1.23 0.00 0.00 61.79 61.42 1rqg h SER 218 Cb 0.45 0.47 -0.12 0.00 -0.44 0.00 0.00 62.40 62.75 1rqg h SER 218 CO -0.46 -0.53 0.92 -0.50 -0.53 0.00 0.00 176.83 175.72 1rqg h TRP 219 N -0.76 0.45 0.00 2.24 4.06 -0.73 1.06 115.95 122.26 1rqg h TRP 219 Ca -0.03 0.02 -0.17 0.00 2.06 0.00 0.00 58.89 60.77 1rqg h TRP 219 Cb 0.71 -0.11 -0.03 0.00 -1.00 0.00 0.00 29.16 28.74 1rqg h TRP 219 CO -0.34 -0.18 -1.10 0.82 -3.56 0.00 0.00 178.44 174.07 1rqg h ILE 220 N 0.07 0.85 0.00 1.49 2.04 -0.21 -3.35 117.51 118.40 1rqg h ILE 220 Ca 0.83 -2.39 0.00 0.00 1.00 0.00 0.00 64.86 64.30 1rqg h ILE 220 Cb 2.72 2.34 0.00 0.00 -0.74 0.00 0.00 36.82 41.14 1rqg h ILE 220 CO -0.36 0.49 0.06 1.21 0.00 0.00 0.00 178.15 179.54 1rqg n GLU 221 N -3.09 0.00 -3.22 2.37 4.07 0.37 -3.07 120.64 118.07 1rqg n GLU 221 Ca -0.05 0.18 -0.24 0.00 -0.06 0.00 0.00 57.16 56.99 1rqg n GLU 221 Cb 0.85 -1.56 -0.06 0.00 -0.06 0.00 0.00 31.44 30.61 1rqg n GLU 221 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 1rqg n GLU 222 N -1.12 1.12 -1.08 5.31 0.00 -1.25 -5.08 120.64 118.55 1rqg n GLU 222 Ca 0.00 -3.53 0.11 0.00 0.00 0.00 0.00 57.16 53.74 1rqg n GLU 222 Cb 0.06 -1.48 -0.06 0.00 0.00 0.00 0.00 31.44 29.96 1rqg n GLU 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 1rqg n GLY 223 N 1.10 -2.01 2.95 -1.84 0.00 -1.18 -4.85 105.19 99.37 1rqg n GLY 223 Ca 0.23 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.34 1rqg n GLY 223 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rqg s LEU 224 N -6.37 3.91 0.17 0.99 1.43 -1.26 -4.85 118.68 112.69 1rqg s LEU 224 Ca 0.00 -1.91 -0.32 0.00 -1.03 0.00 0.00 54.13 50.87 1rqg s LEU 224 Cb 0.00 -1.40 -0.11 0.00 0.03 0.00 0.00 46.19 44.71 1rqg s LEU 224 CO 0.00 -0.37 1.69 -1.83 0.23 0.00 0.00 176.35 176.08 1rqg s GLU 225 N 1.12 4.16 -0.36 1.70 -1.05 -1.26 -2.95 118.70 120.06 1rqg s GLU 225 Ca 0.08 2.52 -0.40 0.00 -0.15 0.00 0.00 54.97 57.02 1rqg s GLU 225 Cb -0.19 -3.23 -0.15 0.00 -0.44 0.00 0.00 34.13 30.12 1rqg s GLU 225 CO -0.12 -0.73 1.96 -0.85 0.95 0.00 0.00 175.26 176.48 1rqg n GLU 226 N 4.42 0.82 -3.62 -4.83 -0.00 -1.26 -4.65 120.64 111.53 1rqg n GLU 226 Ca 0.16 0.27 -0.37 0.00 -0.00 0.00 0.00 57.16 57.21 1rqg n GLU 226 Cb 0.37 -2.06 -0.06 0.00 -0.00 0.00 0.00 31.44 29.69 1rqg n GLU 226 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1rqg s ARG 227 N 4.91 3.76 0.32 3.44 0.52 -0.84 -4.77 118.95 126.28 1rqg s ARG 227 Ca 1.07 0.22 -0.28 0.00 -0.52 0.00 0.00 55.73 56.22 1rqg s ARG 227 Cb -1.11 -3.17 -0.09 0.00 0.52 0.00 0.00 34.95 31.09 1rqg s ARG 227 CO 0.61 0.69 1.12 0.00 0.02 0.00 0.00 175.30 177.75 1rqg s ALA 228 N -1.13 3.34 -0.09 2.13 0.00 -1.26 -0.70 121.76 124.05 1rqg s ALA 228 Ca 0.23 0.92 0.13 0.00 0.00 0.00 0.00 51.96 53.24 1rqg s ALA 228 Cb -0.15 -3.34 0.26 0.00 0.00 0.00 0.00 23.12 19.89 1rqg s ALA 228 CO 0.12 -0.27 1.13 0.44 0.00 0.00 0.00 175.76 177.18 1rqg n ILE 229 N 0.82 1.08 -4.31 0.00 -5.35 -0.89 -4.92 119.36 105.80 1rqg n ILE 229 Ca 0.01 -1.61 -0.17 0.00 -0.27 0.00 0.00 62.75 60.71 1rqg n ILE 229 Cb 0.45 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.45 1rqg n ILE 229 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1rqg s THR 230 N -1.62 1.25 0.02 7.28 2.01 -1.26 -1.25 115.64 122.07 1rqg s THR 230 Ca 0.25 -2.08 -0.18 0.00 0.31 0.00 0.00 61.69 59.99 1rqg s THR 230 Cb 0.24 -2.11 0.03 0.00 0.01 0.00 0.00 72.50 70.68 1rqg s THR 230 CO -0.04 -0.53 0.39 -0.13 -0.69 0.00 0.00 174.62 173.62 1rqg s ARG 231 N -3.77 0.84 -1.22 4.92 1.81 1.00 -4.44 118.95 118.09 1rqg s ARG 231 Ca 0.23 -0.26 -0.06 0.00 -1.72 0.00 0.00 55.73 53.92 1rqg s ARG 231 Cb 0.03 0.38 0.20 0.00 -0.45 0.00 0.00 34.95 35.11 1rqg s ARG 231 CO 0.05 -0.27 2.00 -0.25 -0.68 0.00 0.00 175.30 176.16 1rqg n ASP 232 N 0.80 6.82 -4.41 0.23 8.00 -1.26 -1.41 116.55 125.32 1rqg n ASP 232 Ca -0.20 -3.27 -0.29 0.00 0.71 0.00 0.00 54.79 51.74 1rqg n ASP 232 Cb 0.58 -1.35 -0.13 0.00 -0.02 0.00 0.00 41.12 40.21 1rqg n ASP 232 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rqg s LEU 233 N -2.06 2.41 0.00 0.64 1.43 -1.26 -4.77 118.68 115.07 1rqg s LEU 233 Ca 0.44 -0.72 0.26 0.00 -1.03 0.00 0.00 54.13 53.07 1rqg s LEU 233 Cb 0.14 -1.28 0.68 0.00 0.03 0.00 0.00 46.19 45.75 1rqg s LEU 233 CO -0.04 0.17 1.52 -3.20 0.23 0.00 0.00 176.35 175.04 1rqg n ASN 234 N 0.82 1.73 -4.08 2.29 2.85 -1.26 -4.41 115.26 113.19 1rqg n ASN 234 Ca -0.17 -1.44 -0.30 0.00 -0.11 0.00 0.00 54.58 52.57 1rqg n ASN 234 Cb 0.53 0.09 -0.17 0.00 1.24 0.00 0.00 39.78 41.48 1rqg n ASN 234 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1rqg s TRP 235 N -2.19 2.16 -5.00 1.20 -0.11 -1.26 -5.08 118.94 108.65 1rqg s TRP 235 Ca 0.30 -1.05 0.00 0.00 1.22 0.00 0.00 56.10 56.57 1rqg s TRP 235 Cb 0.20 -1.53 0.00 0.00 -1.50 0.00 0.00 33.47 30.64 1rqg s TRP 235 CO 0.41 -0.52 0.00 0.41 -4.62 0.00 0.00 176.95 172.62 1rqg n GLY 236 N 4.21 0.42 3.59 5.86 0.00 -1.26 -4.62 105.19 113.38 1rqg n GLY 236 Ca -0.19 -1.79 -0.42 0.00 0.00 0.00 0.00 46.02 43.62 1rqg n GLY 236 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rqg s ILE 237 N -1.84 4.74 0.26 -0.61 1.01 -1.26 -4.94 121.20 118.55 1rqg s ILE 237 Ca 0.00 0.96 -0.30 0.00 0.00 0.00 0.00 60.65 61.31 1rqg s ILE 237 Cb 0.00 -4.21 -0.13 0.00 0.01 0.00 0.00 42.46 38.13 1rqg s ILE 237 CO 0.00 -0.40 1.33 -2.65 0.00 0.00 0.00 174.94 173.21 1rqg n PRO 238 N 6.40 1.93 -2.26 2.79 -0.02 -1.26 -0.46 135.00 142.11 1rqg n PRO 238 Ca 0.03 0.68 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 1rqg n PRO 238 Cb 0.48 -2.28 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 1rqg n PRO 238 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 1rqg s VAL 239 N -0.40 3.67 0.23 -1.45 -7.23 -1.15 -4.76 120.40 109.32 1rqg s VAL 239 Ca 0.65 1.15 -0.08 0.00 -1.81 0.00 0.00 61.98 61.88 1rqg s VAL 239 Cb -0.65 -3.74 0.24 0.00 0.56 0.00 0.00 36.38 32.79 1rqg s VAL 239 CO 0.54 0.05 1.65 -0.65 -0.31 0.00 0.00 175.10 176.38 1rqg h PRO 240 N 7.19 0.12 -6.00 4.82 0.11 -1.92 -3.44 132.00 132.88 1rqg h PRO 240 Ca -0.40 -0.01 -0.87 0.00 0.11 0.00 0.00 66.00 64.84 1rqg h PRO 240 Cb 1.20 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1rqg h PRO 240 CO 0.87 0.08 0.77 1.28 -0.21 0.00 0.00 178.00 180.78 1rqg n LEU 241 N -5.31 1.17 -4.44 2.35 4.77 -1.26 -4.86 117.00 109.41 1rqg n LEU 241 Ca 0.12 1.13 -0.44 0.00 -0.03 0.00 0.00 56.01 56.78 1rqg n LEU 241 Cb 0.42 -0.89 -0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1rqg n LEU 241 CO 0.08 -0.83 1.30 -1.81 -1.33 0.00 0.00 177.39 174.80 1rqg s ASP 242 N 3.36 7.11 0.30 -1.43 1.11 -1.26 -4.84 116.67 121.03 1rqg s ASP 242 Ca 1.07 -3.08 0.03 0.00 0.18 0.00 0.00 52.55 50.74 1rqg s ASP 242 Cb -1.49 -2.37 -0.06 0.00 1.07 0.00 0.00 42.92 40.07 1rqg s ASP 242 CO 0.80 -0.68 0.07 -1.61 1.18 0.00 0.00 175.17 174.94 1rqg s GLU 243 N 1.15 1.57 0.09 8.23 2.02 -1.26 -5.07 118.70 125.42 1rqg s GLU 243 Ca 0.41 -1.86 0.23 0.00 0.02 0.00 0.00 54.97 53.76 1rqg s GLU 243 Cb -0.04 -0.63 0.09 0.00 0.10 0.00 0.00 34.13 33.65 1rqg s GLU 243 CO -0.01 -0.24 1.07 -1.91 0.02 0.00 0.00 175.26 174.19 1rqg n GLU 244 N -0.61 0.36 0.09 1.61 4.07 -1.26 -3.96 120.64 120.94 1rqg n GLU 244 Ca -0.01 0.03 0.00 0.00 -0.06 0.00 0.00 57.16 57.11 1rqg n GLU 244 Cb 0.66 -1.65 -0.03 0.00 -0.06 0.00 0.00 31.44 30.37 1rqg n GLU 244 CO 0.00 0.00 0.00 0.38 -0.06 0.00 0.00 177.13 177.45 1rqg h ASP 245 N 0.00 0.00 -0.48 4.31 -0.00 -1.97 -3.22 116.42 115.06 1rqg h ASP 245 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.03 1rqg h ASP 245 Cb 0.79 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.12 1rqg h ASP 245 CO 0.00 0.60 0.00 0.23 -0.00 0.00 0.00 179.24 180.07 1rqg n MET 246 N -3.14 2.16 -2.27 4.15 2.81 -1.26 -4.83 117.12 114.75 1rqg n MET 246 Ca -0.02 -1.80 -0.39 0.00 -1.81 0.00 0.00 57.70 53.67 1rqg n MET 246 Cb 0.80 -1.40 -0.02 0.00 -0.71 0.00 0.00 33.22 31.89 1rqg n MET 246 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1rqg s LYS 247 N -1.36 4.19 -1.39 0.03 0.00 -1.22 -2.89 119.74 117.10 1rqg s LYS 247 Ca 0.34 1.93 -0.01 0.00 0.00 0.00 0.00 55.97 58.23 1rqg s LYS 247 Cb 0.18 -2.83 0.00 0.00 0.00 0.00 0.00 37.83 35.18 1rqg s LYS 247 CO 0.24 -0.23 0.16 0.41 0.00 0.00 0.00 175.35 175.93 1rqg n GLY 248 N 0.75 -0.32 3.38 0.59 0.00 -1.26 -5.00 105.19 103.33 1rqg n GLY 248 Ca 0.03 -0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.70 1rqg n GLY 248 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqg s LYS 249 N -5.05 1.41 0.16 1.61 1.02 -1.14 -4.40 119.74 113.35 1rqg s LYS 249 Ca 0.08 -1.56 0.01 0.00 0.02 0.00 0.00 55.97 54.52 1rqg s LYS 249 Cb -0.03 -1.42 -0.04 0.00 -0.52 0.00 0.00 37.83 35.81 1rqg s LYS 249 CO 0.10 0.27 0.01 0.54 -0.92 0.00 0.00 175.35 175.35 1rqg s VAL 250 N -2.39 0.58 -0.02 3.17 0.11 -0.50 -2.92 120.40 118.42 1rqg s VAL 250 Ca 0.22 -1.96 -0.30 0.00 -2.93 0.00 0.00 61.98 57.00 1rqg s VAL 250 Cb -0.04 -2.08 -0.03 0.00 -1.53 0.00 0.00 36.38 32.69 1rqg s VAL 250 CO 0.09 -0.50 1.11 -0.76 -3.33 0.00 0.00 175.10 171.72 1rqg s LEU 251 N -3.14 4.32 -0.09 2.54 1.43 0.39 -0.00 118.68 124.12 1rqg s LEU 251 Ca 0.23 1.78 -0.38 0.00 -1.03 0.00 0.00 54.13 54.74 1rqg s LEU 251 Cb 0.06 -3.57 -0.15 0.00 0.03 0.00 0.00 46.19 42.56 1rqg s LEU 251 CO 0.03 -0.45 1.60 0.00 0.23 0.00 0.00 176.35 177.76 1rqg n TYR 252 N 4.51 1.91 -0.26 0.29 -0.00 -0.38 -4.66 117.16 118.57 1rqg n TYR 252 Ca 0.09 0.49 0.25 0.00 -0.00 0.00 0.00 57.90 58.73 1rqg n TYR 252 Cb 0.48 -2.44 0.61 0.00 -0.00 0.00 0.00 39.34 37.99 1rqg n TYR 252 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.86 176.62 1rqg h VAL 253 N 4.44 0.56 -0.32 2.97 3.04 -1.92 0.73 116.25 125.74 1rqg h VAL 253 Ca -0.47 -0.07 0.09 0.00 -1.01 0.00 0.00 66.70 65.24 1rqg h VAL 253 Cb 1.31 0.32 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 1rqg h VAL 253 CO 0.89 0.04 0.29 -0.25 -1.01 0.00 0.00 177.57 177.53 1rqg h TRP 254 N 0.21 0.00 0.05 3.17 7.01 -1.97 0.00 115.95 124.43 1rqg h TRP 254 Ca 0.50 0.00 -0.35 0.00 2.11 0.00 0.00 58.89 61.16 1rqg h TRP 254 Cb 1.59 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.61 1rqg h TRP 254 CO -0.00 0.00 -1.95 0.34 -2.79 0.00 0.00 178.44 174.04 1rqg n PHE 255 N -4.03 0.78 0.09 2.65 7.35 0.25 -4.58 117.46 119.97 1rqg n PHE 255 Ca 0.05 0.23 -0.16 0.00 -0.76 0.00 0.00 57.45 56.81 1rqg n PHE 255 Cb 0.45 -1.09 -0.10 0.00 0.35 0.00 0.00 39.48 39.09 1rqg n PHE 255 CO 0.00 0.00 0.00 1.05 -0.76 0.00 0.00 176.76 177.05 1rqg h GLU 256 N -0.43 0.36 -0.62 -4.13 4.11 -1.29 -3.40 114.58 109.19 1rqg h GLU 256 Ca -0.47 -0.50 0.06 0.00 0.07 0.00 0.00 59.36 58.51 1rqg h GLU 256 Cb 1.73 0.17 -0.07 0.00 0.50 0.00 0.00 28.75 31.08 1rqg h GLU 256 CO -0.11 1.19 -0.36 0.00 0.07 0.00 0.00 179.01 179.80 1rqg n ALA 257 N -2.55 -0.40 -0.03 1.06 0.00 -0.03 -0.36 120.51 118.20 1rqg n ALA 257 Ca -0.08 0.52 0.14 0.00 0.00 0.00 0.00 53.44 54.02 1rqg n ALA 257 Cb 0.95 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.97 1rqg n ALA 257 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1rqg h PRO 258 N 0.00 0.25 -0.00 0.00 0.11 -1.84 0.62 132.00 131.13 1rqg h PRO 258 Ca 0.10 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.20 1rqg h PRO 258 Cb 0.25 -0.06 -0.00 0.00 0.11 0.00 0.00 31.00 31.31 1rqg h PRO 258 CO -0.58 0.16 0.01 0.82 -0.21 0.00 0.00 178.00 178.20 1rqg h ILE 259 N 0.25 0.27 -0.49 4.15 2.04 -0.92 0.20 117.51 123.00 1rqg h ILE 259 Ca 0.25 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.17 1rqg h ILE 259 Cb 0.65 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 1rqg h ILE 259 CO -0.05 0.00 0.33 1.23 0.00 0.00 0.00 178.15 179.66 1rqg h GLY 260 N 0.00 0.52 0.91 5.37 0.00 0.44 0.03 103.07 110.34 1rqg h GLY 260 Ca 0.00 -0.17 0.13 0.00 0.00 0.00 0.00 47.33 47.29 1rqg h GLY 260 CO -0.00 0.13 0.43 -0.97 0.00 0.00 0.00 176.54 176.12 1rqg h TYR 261 N 0.42 0.36 0.03 5.60 0.99 -0.73 -1.50 116.97 122.13 1rqg h TYR 261 Ca 0.22 0.01 -0.31 0.00 2.00 0.00 0.00 58.73 60.65 1rqg h TYR 261 Cb 0.32 -0.11 -0.04 0.00 1.00 0.00 0.00 36.73 37.90 1rqg h TYR 261 CO -0.00 0.15 -1.71 -0.89 -0.00 0.00 0.00 178.16 175.71 1rqg n ILE 262 N -4.46 1.59 -0.21 -2.88 5.41 -0.23 -3.87 119.36 114.72 1rqg n ILE 262 Ca 0.11 -0.26 -0.09 0.00 1.00 0.00 0.00 62.75 63.51 1rqg n ILE 262 Cb 0.47 -1.91 -0.05 0.00 -0.71 0.00 0.00 39.64 37.44 1rqg n ILE 262 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 1rqg h SER 263 N -0.70 -1.59 -0.34 4.38 0.02 -0.83 -0.86 113.55 113.64 1rqg h SER 263 Ca -0.44 0.25 0.02 0.00 -0.84 0.00 0.00 61.79 60.78 1rqg h SER 263 Cb 1.56 0.71 -0.02 0.00 0.14 0.00 0.00 62.40 64.78 1rqg h SER 263 CO -0.17 -0.34 0.19 0.40 -1.14 0.00 0.00 176.83 175.77 1rqg h ILE 264 N -0.24 1.01 -0.57 3.27 2.04 -1.50 0.39 117.51 121.92 1rqg h ILE 264 Ca 0.16 -0.13 0.09 0.00 1.00 0.00 0.00 64.86 65.98 1rqg h ILE 264 Cb 0.56 0.60 -0.07 0.00 -0.74 0.00 0.00 36.82 37.17 1rqg h ILE 264 CO -0.69 0.07 0.19 0.74 0.00 0.00 0.00 178.15 178.46 1rqg h THR 265 N 0.38 0.77 -0.15 -0.27 2.02 -1.45 0.86 112.91 115.07 1rqg h THR 265 Ca 0.14 -0.13 0.02 0.00 0.77 0.00 0.00 66.41 67.21 1rqg h THR 265 Cb 0.02 0.38 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 1rqg h THR 265 CO -0.08 0.07 0.05 0.40 0.37 0.00 0.00 175.52 176.33 1rqg h ILE 266 N 0.37 0.96 -0.83 3.11 2.04 -0.62 -0.87 117.51 121.67 1rqg h ILE 266 Ca 0.28 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 66.17 1rqg h ILE 266 Cb 0.34 0.83 -0.05 0.00 -0.74 0.00 0.00 36.82 37.19 1rqg h ILE 266 CO -0.30 0.02 0.54 -0.08 0.00 0.00 0.00 178.15 178.34 1rqg h GLU 267 N 0.12 0.88 0.52 2.37 4.57 0.91 -1.40 114.58 122.56 1rqg h GLU 267 Ca 0.07 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.17 1rqg h GLU 267 Cb 0.04 -0.20 0.01 0.00 -0.16 0.00 0.00 28.75 28.44 1rqg h GLU 267 CO -0.07 0.58 -0.25 1.25 -1.18 0.00 0.00 179.01 179.34 1rqg h HIS 268 N 0.91 -0.65 0.00 0.92 2.76 0.19 -2.50 115.15 116.78 1rqg h HIS 268 Ca 0.36 -0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.50 1rqg h HIS 268 Cb 0.24 0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.42 1rqg h HIS 268 CO -0.00 -0.39 -0.07 0.74 -1.30 0.00 0.00 177.93 176.91 1rqg h PHE 269 N -0.74 0.00 0.30 5.26 -1.00 -0.87 -0.88 116.94 119.01 1rqg h PHE 269 Ca -0.07 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.69 1rqg h PHE 269 Cb 0.56 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.12 1rqg h PHE 269 CO -0.03 0.07 -0.15 -0.22 -1.61 0.00 0.00 178.31 176.37 1rqg h LYS 270 N 0.00 -0.39 0.00 1.51 3.64 -0.99 -1.21 116.57 119.12 1rqg h LYS 270 Ca -0.00 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1rqg h LYS 270 Cb 0.27 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.18 1rqg h LYS 270 CO 0.01 -0.26 -0.00 0.07 -2.27 0.00 0.00 179.45 176.99 1rqg h ARG 271 N -0.57 0.00 0.00 1.90 0.11 -1.38 0.51 114.38 114.95 1rqg h ARG 271 Ca -0.04 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.04 1rqg h ARG 271 Cb 0.31 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.39 1rqg h ARG 271 CO 0.07 0.00 0.00 1.51 0.10 0.00 0.00 179.97 181.65 1rqg n ILE 272 N -3.65 0.70 0.00 0.08 0.13 -0.34 -4.90 119.36 111.37 1rqg n ILE 272 Ca -0.03 -0.06 0.00 0.00 -1.10 0.00 0.00 62.75 61.56 1rqg n ILE 272 Cb 0.08 -0.84 0.00 0.00 -0.84 0.00 0.00 39.64 38.04 1rqg n ILE 272 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 1rqg n GLY 273 N 0.72 0.93 2.71 4.50 0.00 0.17 -4.99 105.19 109.24 1rqg n GLY 273 Ca 0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 1rqg n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1rqg n LYS 274 N -1.78 3.46 -0.26 1.61 5.02 -0.51 -4.97 118.16 120.74 1rqg n LYS 274 Ca 0.00 -4.72 0.24 0.00 -2.02 0.00 0.00 58.31 51.80 1rqg n LYS 274 Cb 0.00 -2.32 0.42 0.00 -0.02 0.00 0.00 35.03 33.11 1rqg n LYS 274 CO 0.00 0.00 0.00 -2.30 -0.52 0.00 0.00 177.40 174.58 1rqg n PRO 275 N 0.43 -0.03 -0.05 1.97 -0.02 -0.89 -2.06 135.00 134.35 1rqg n PRO 275 Ca 0.32 0.88 0.10 0.00 -2.02 0.00 0.00 63.50 62.78 1rqg n PRO 275 Cb 0.37 -1.65 0.11 0.00 -0.02 0.00 0.00 33.50 32.32 1rqg n PRO 275 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1rqg n ASN 276 N -4.29 2.84 0.28 2.55 5.03 -1.26 -4.56 115.26 115.85 1rqg n ASN 276 Ca 0.26 -1.87 0.15 0.00 0.87 0.00 0.00 54.58 53.99 1rqg n ASN 276 Cb 0.94 -0.07 0.80 0.00 -1.02 0.00 0.00 39.78 40.43 1rqg n ASN 276 CO 0.00 0.00 0.00 -0.33 -1.83 0.00 0.00 177.26 175.10 1rqg h GLU 277 N 3.92 0.00 -0.60 3.52 4.39 -1.77 -3.02 114.58 121.02 1rqg h GLU 277 Ca 0.00 0.00 0.11 0.00 0.34 0.00 0.00 59.36 59.81 1rqg h GLU 277 Cb 0.86 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 1rqg h GLU 277 CO 0.00 0.08 0.41 0.11 -1.16 0.00 0.00 179.01 178.45 1rqg h TRP 278 N 0.00 0.38 -0.99 4.33 5.08 -1.81 -2.77 115.95 120.16 1rqg h TRP 278 Ca -0.00 0.01 0.19 0.00 1.08 0.00 0.00 58.89 60.17 1rqg h TRP 278 Cb 0.30 -0.12 -0.10 0.00 -3.00 0.00 0.00 29.16 26.24 1rqg h TRP 278 CO 0.00 0.17 0.61 0.87 -1.28 0.00 0.00 178.44 178.82 1rqg h LYS 279 N 0.35 0.69 0.00 0.12 1.57 -1.89 -0.47 116.57 116.94 1rqg h LYS 279 Ca 0.28 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.02 1rqg h LYS 279 Cb 0.64 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1rqg h LYS 279 CO -0.07 0.46 0.00 1.57 -0.57 0.00 0.00 179.45 180.83 1rqg h LYS 280 N 0.71 0.00 0.09 3.15 2.10 -1.74 -0.93 116.57 119.95 1rqg h LYS 280 Ca 0.56 0.00 -0.34 0.00 -2.00 0.00 0.00 60.65 58.87 1rqg h LYS 280 Cb 0.94 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.25 1rqg h LYS 280 CO -0.34 0.00 -1.87 1.88 -2.00 0.00 0.00 179.45 177.12 1rqg h TYR 281 N 0.00 0.36 0.00 0.07 -1.99 -1.23 -3.40 116.97 110.77 1rqg h TYR 281 Ca 0.00 -0.26 0.00 0.00 2.00 0.00 0.00 58.73 60.47 1rqg h TYR 281 Cb 0.58 -0.01 0.00 0.00 2.00 0.00 0.00 36.73 39.29 1rqg h TYR 281 CO 0.00 1.53 -1.51 0.91 -0.00 0.00 0.00 178.16 179.09 1rqg n TRP 282 N -3.36 0.00 -3.89 4.88 7.02 -1.09 -4.86 117.44 116.14 1rqg n TRP 282 Ca -0.26 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 55.87 1rqg n TRP 282 Cb 1.05 -0.28 -0.05 0.00 -2.42 0.00 0.00 31.31 29.60 1rqg n TRP 282 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1rqg s LEU 283 N -3.81 4.38 -1.30 -0.99 1.02 -0.36 0.06 118.68 117.69 1rqg s LEU 283 Ca -0.03 0.41 -0.08 0.00 0.02 0.00 0.00 54.13 54.45 1rqg s LEU 283 Cb 0.12 -2.37 0.15 0.00 0.02 0.00 0.00 46.19 44.11 1rqg s LEU 283 CO 0.73 0.33 2.02 -3.20 0.02 0.00 0.00 176.35 176.25 1rqg n ASN 284 N 1.42 5.82 0.00 2.29 5.15 0.22 -4.63 115.26 125.53 1rqg n ASN 284 Ca -0.15 -3.11 0.00 0.00 -0.60 0.00 0.00 54.58 50.72 1rqg n ASN 284 Cb 0.54 -1.45 0.00 0.00 -0.53 0.00 0.00 39.78 38.33 1rqg n ASN 284 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1rqg n ILE 285 N 2.96 0.00 -2.48 -1.44 5.41 -1.26 -4.17 119.36 118.39 1rqg n ILE 285 Ca 0.46 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.78 1rqg n ILE 285 Cb 0.33 -0.16 0.00 0.00 -0.71 0.00 0.00 39.64 39.10 1rqg n ILE 285 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 1rqg n ASP 286 N 0.00 5.00 -3.02 4.38 5.75 -1.26 -4.89 116.55 122.51 1rqg n ASP 286 Ca 0.00 -3.03 -0.43 0.00 -0.01 0.00 0.00 54.79 51.32 1rqg n ASP 286 Cb 0.00 -1.54 -0.07 0.00 -1.03 0.00 0.00 41.12 38.48 1rqg n ASP 286 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rqg n GLY 287 N 3.47 0.05 0.29 6.12 0.00 -1.26 -4.83 105.19 109.03 1rqg n GLY 287 Ca 0.41 0.69 -0.00 0.00 0.00 0.00 0.00 46.02 47.11 1rqg n GLY 287 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rqg n GLN 288 N 3.43 0.00 -3.29 1.61 10.64 -1.26 -5.12 117.38 123.40 1rqg n GLN 288 Ca 0.26 -0.04 -0.39 0.00 -1.83 0.00 0.00 57.00 55.00 1rqg n GLN 288 Cb -0.04 0.25 -0.07 0.00 -0.86 0.00 0.00 30.24 29.53 1rqg n GLN 288 CO 0.00 0.00 0.00 0.99 -1.83 0.00 0.00 177.06 176.22 1rqg s THR 289 N 0.00 5.13 -0.41 -0.39 2.01 -1.26 -3.86 115.64 116.86 1rqg s THR 289 Ca 0.00 0.88 -0.22 0.00 0.31 0.00 0.00 61.69 62.66 1rqg s THR 289 Cb 0.00 -3.81 0.02 0.00 0.01 0.00 0.00 72.50 68.72 1rqg s THR 289 CO 0.00 0.20 0.72 -0.13 -0.69 0.00 0.00 174.62 174.72 1rqg s ARG 290 N 1.54 3.51 -0.45 4.92 1.81 -1.02 -4.90 118.95 124.35 1rqg s ARG 290 Ca 0.23 -0.04 -0.19 0.00 -1.72 0.00 0.00 55.73 54.00 1rqg s ARG 290 Cb -0.15 -3.89 0.03 0.00 -0.45 0.00 0.00 34.95 30.50 1rqg s ARG 290 CO 0.09 -0.95 0.54 0.08 -0.68 0.00 0.00 175.30 174.38 1rqg s VAL 291 N 3.02 4.96 -0.15 3.52 1.01 -1.26 -2.20 120.40 129.29 1rqg s VAL 291 Ca 0.27 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.89 1rqg s VAL 291 Cb -0.13 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.04 1rqg s VAL 291 CO 0.19 -0.58 0.12 -0.63 0.00 0.00 0.00 175.10 174.20 1rqg s ILE 292 N 2.45 5.35 -0.49 2.22 1.09 -0.74 -0.14 121.20 130.93 1rqg s ILE 292 Ca 0.16 0.16 0.02 0.00 -1.10 0.00 0.00 60.65 59.88 1rqg s ILE 292 Cb -0.17 -3.37 0.13 0.00 -1.06 0.00 0.00 42.46 37.99 1rqg s ILE 292 CO 0.14 0.54 0.24 -1.00 -0.10 0.00 0.00 174.94 174.77 1rqg s HIS 293 N -0.41 3.43 -0.18 3.97 3.76 -0.35 -1.99 115.29 123.53 1rqg s HIS 293 Ca 0.11 -2.93 -0.29 0.00 -0.15 0.00 0.00 55.06 51.80 1rqg s HIS 293 Cb -0.12 -2.99 -0.02 0.00 1.11 0.00 0.00 32.58 30.57 1rqg s HIS 293 CO 0.01 -0.85 1.33 -0.06 -0.85 0.00 0.00 174.74 174.33 1rqg s PHE 294 N 0.24 2.69 0.26 1.40 0.40 -0.92 -3.04 117.98 119.01 1rqg s PHE 294 Ca 0.14 0.88 0.03 0.00 -0.60 0.00 0.00 56.93 57.38 1rqg s PHE 294 Cb -0.23 -3.64 -0.01 0.00 0.51 0.00 0.00 43.02 39.65 1rqg s PHE 294 CO -0.03 -1.99 0.28 0.44 0.70 0.00 0.00 175.22 174.62 1rqg n ILE 295 N 5.59 0.00 -3.94 0.64 -5.35 0.29 -1.66 119.36 114.94 1rqg n ILE 295 Ca 0.15 -1.63 -0.30 0.00 -0.27 0.00 0.00 62.75 60.69 1rqg n ILE 295 Cb 0.45 0.88 -0.04 0.00 -1.74 0.00 0.00 39.64 39.19 1rqg n ILE 295 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1rqg s GLY 296 N -2.71 2.07 0.33 3.28 0.00 -1.26 -2.37 107.32 106.65 1rqg s GLY 296 Ca 0.27 -0.90 0.09 0.00 0.00 0.00 0.00 44.72 44.17 1rqg s GLY 296 CO 0.19 -0.89 1.59 0.07 0.00 0.00 0.00 173.10 174.06 1rqg h LYS 297 N 2.89 0.04 -0.24 2.90 2.10 -1.80 0.58 116.57 123.05 1rqg h LYS 297 Ca -0.46 -0.00 0.07 0.00 -2.00 0.00 0.00 60.65 58.26 1rqg h LYS 297 Cb 1.17 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 1rqg h LYS 297 CO 0.73 0.03 0.30 -0.44 -2.00 0.00 0.00 179.45 178.07 1rqg h ASP 298 N 0.04 0.00 0.41 7.07 3.45 -1.94 -1.53 116.42 123.92 1rqg h ASP 298 Ca 0.68 0.00 0.00 0.00 0.43 0.00 0.00 57.03 58.14 1rqg h ASP 298 Cb 1.57 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.34 1rqg h ASP 298 CO -0.83 0.00 -0.35 0.59 -1.57 0.00 0.00 179.24 177.08 1rqg n ASN 299 N -3.64 0.67 0.05 6.45 3.02 0.20 -4.45 115.26 117.56 1rqg n ASN 299 Ca 0.03 -0.48 -0.14 0.00 -0.03 0.00 0.00 54.58 53.96 1rqg n ASN 299 Cb 0.43 0.15 -0.08 0.00 -0.61 0.00 0.00 39.78 39.67 1rqg n ASN 299 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1rqg h ILE 300 N 0.50 0.10 -0.35 2.41 2.04 -1.34 -0.89 117.51 119.97 1rqg h ILE 300 Ca 0.00 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.90 1rqg h ILE 300 Cb 0.49 0.10 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 1rqg h ILE 300 CO 0.00 0.00 -0.46 -0.65 0.00 0.00 0.00 178.15 177.04 1rqg h PRO 301 N -0.60 -0.31 -0.45 2.37 0.11 -1.80 0.39 132.00 131.70 1rqg h PRO 301 Ca 0.04 0.02 0.09 0.00 0.11 0.00 0.00 66.00 66.26 1rqg h PRO 301 Cb 0.68 0.07 -0.08 0.00 0.11 0.00 0.00 31.00 31.78 1rqg h PRO 301 CO -0.34 -0.21 -0.09 0.35 -0.21 0.00 0.00 178.00 177.50 1rqg h PHE 302 N -0.32 -0.20 0.00 0.65 3.04 -1.80 0.82 116.94 119.12 1rqg h PHE 302 Ca 0.06 0.04 -0.03 0.00 3.98 0.00 0.00 57.97 62.02 1rqg h PHE 302 Cb 0.49 0.16 -0.00 0.00 2.56 0.00 0.00 35.95 39.15 1rqg h PHE 302 CO -0.71 -0.18 -0.16 0.45 -2.02 0.00 0.00 178.31 175.69 1rqg h HIS 303 N 0.02 0.00 -0.02 0.41 3.86 -0.61 0.11 115.15 118.92 1rqg h HIS 303 Ca 0.22 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.43 1rqg h HIS 303 Cb 0.33 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.80 1rqg h HIS 303 CO -0.37 0.16 -0.27 0.00 0.86 0.00 0.00 177.93 178.30 1rqg n ALA 304 N -2.17 3.06 -0.48 2.45 0.00 0.13 -4.44 120.51 119.06 1rqg n ALA 304 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 52.86 1rqg n ALA 304 Cb 0.44 -0.64 0.00 0.00 0.00 0.00 0.00 19.45 19.26 1rqg n ALA 304 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1rqg n ILE 305 N 0.24 0.00 -0.01 0.00 5.41 0.23 -4.85 119.36 120.38 1rqg n ILE 305 Ca 0.09 0.00 -0.12 0.00 1.00 0.00 0.00 62.75 63.72 1rqg n ILE 305 Cb 0.41 -0.35 -0.07 0.00 -0.71 0.00 0.00 39.64 38.92 1rqg n ILE 305 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 176.55 176.29 1rqg h PHE 306 N 0.00 0.13 -0.66 1.39 0.04 -1.62 -2.44 116.94 113.79 1rqg h PHE 306 Ca 0.00 -0.01 0.05 0.00 2.80 0.00 0.00 57.97 60.81 1rqg h PHE 306 Cb 0.00 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.06 1rqg h PHE 306 CO 0.00 0.30 0.38 2.35 -0.60 0.00 0.00 178.31 180.74 1rqg h TRP 307 N -0.08 0.69 -0.61 -0.55 -0.00 -1.07 0.13 115.95 114.47 1rqg h TRP 307 Ca 0.03 0.02 -0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1rqg h TRP 307 Cb 0.24 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.15 1rqg h TRP 307 CO 0.00 0.35 0.33 -1.35 -0.00 0.00 0.00 178.44 177.77 1rqg h PRO 308 N 0.71 0.84 -0.59 2.65 0.11 -1.76 -2.36 132.00 131.61 1rqg h PRO 308 Ca 0.29 -0.10 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 1rqg h PRO 308 Cb 0.14 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.06 1rqg h PRO 308 CO -0.16 0.64 0.29 0.00 -0.21 0.00 0.00 178.00 178.56 1rqg h ALA 309 N 1.15 0.76 -0.96 -0.75 0.00 -0.90 -0.19 119.26 118.37 1rqg h ALA 309 Ca 0.21 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 55.12 1rqg h ALA 309 Cb 0.04 -0.23 -0.09 0.00 0.00 0.00 0.00 17.79 17.52 1rqg h ALA 309 CO -0.03 0.32 0.58 0.74 0.00 0.00 0.00 179.25 180.85 1rqg h PHE 310 N 0.80 1.04 -0.48 0.00 0.04 -0.48 0.45 116.94 118.31 1rqg h PHE 310 Ca 0.20 0.03 -0.07 0.00 2.80 0.00 0.00 57.97 60.93 1rqg h PHE 310 Cb 0.11 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 37.92 1rqg h PHE 310 CO -0.00 0.37 0.01 -0.07 -0.60 0.00 0.00 178.31 178.02 1rqg h LEU 311 N 0.89 0.83 -0.45 1.54 3.38 -0.74 -3.10 115.31 117.65 1rqg h LEU 311 Ca 0.49 -0.30 -0.05 0.00 0.09 0.00 0.00 57.88 58.11 1rqg h LEU 311 Cb 0.55 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1rqg h LEU 311 CO -0.29 0.93 0.09 0.24 0.09 0.00 0.00 178.44 179.50 1rqg h MET 312 N 0.70 0.73 0.00 1.13 2.86 0.71 -2.67 114.93 118.39 1rqg h MET 312 Ca 0.14 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.59 1rqg h MET 312 Cb 0.50 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.07 1rqg h MET 312 CO 0.02 0.74 0.20 0.00 1.06 0.00 0.00 176.91 178.93 1rqg h ALA 313 N 0.96 1.15 -0.91 6.32 0.00 -0.12 0.65 119.26 127.32 1rqg h ALA 313 Ca 0.14 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.52 1rqg h ALA 313 Cb 0.35 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 17.85 1rqg h ALA 313 CO 0.00 -0.15 0.57 0.98 0.00 0.00 0.00 179.25 180.65 1rqg n TYR 314 N -2.30 2.87 0.00 0.00 -0.00 -1.00 -4.00 117.16 112.73 1rqg n TYR 314 Ca -0.01 -2.21 0.00 0.00 -0.00 0.00 0.00 57.90 55.67 1rqg n TYR 314 Cb 0.23 -1.03 0.00 0.00 -0.00 0.00 0.00 39.34 38.55 1rqg n TYR 314 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1rqg n GLY 315 N -1.06 0.00 3.23 2.98 0.00 0.23 -4.23 105.19 106.34 1rqg n GLY 315 Ca 0.57 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 46.27 1rqg n GLY 315 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rqg s LYS 316 N -2.56 3.09 -0.17 1.61 -2.85 -1.26 -4.69 119.74 112.91 1rqg s LYS 316 Ca 0.00 -0.85 -0.06 0.00 -1.00 0.00 0.00 55.97 54.06 1rqg s LYS 316 Cb 0.00 -2.38 -0.04 0.00 -2.06 0.00 0.00 37.83 33.36 1rqg s LYS 316 CO 0.00 0.13 0.02 -0.47 0.10 0.00 0.00 175.35 175.13 1rqg s TYR 317 N 0.46 3.16 -0.48 1.78 5.04 -1.02 -5.03 117.35 121.27 1rqg s TYR 317 Ca -0.15 -0.08 0.07 0.00 -2.44 0.00 0.00 57.07 54.48 1rqg s TYR 317 Cb -0.17 -2.02 0.19 0.00 0.35 0.00 0.00 41.96 40.30 1rqg s TYR 317 CO 0.06 0.08 0.69 0.15 -1.34 0.00 0.00 175.55 175.19 1rqg s LYS 318 N 0.34 0.98 -0.29 4.97 3.01 -1.26 -2.60 119.74 124.89 1rqg s LYS 318 Ca 0.00 -0.75 -0.15 0.00 -1.01 0.00 0.00 55.97 54.07 1rqg s LYS 318 Cb -0.13 0.01 0.11 0.00 -1.01 0.00 0.00 37.83 36.81 1rqg s LYS 318 CO 0.01 -1.27 0.78 0.34 0.51 0.00 0.00 175.35 175.72 1rqg s ASP 319 N 1.26 -0.83 0.00 2.83 -1.08 -1.26 -4.93 116.67 112.65 1rqg s ASP 319 Ca 0.24 1.28 0.00 0.00 -0.52 0.00 0.00 52.55 53.56 1rqg s ASP 319 Cb -0.02 1.51 0.00 0.00 -1.46 0.00 0.00 42.92 42.95 1rqg s ASP 319 CO -0.06 -0.20 0.00 -0.62 0.52 0.00 0.00 175.17 174.82 1rqg n GLU 320 N 4.38 0.00 -4.12 4.34 1.02 -1.26 -4.87 120.64 120.14 1rqg n GLU 320 Ca -0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.86 1rqg n GLU 320 Cb 0.57 -2.45 -0.08 0.00 -0.02 0.00 0.00 31.44 29.45 1rqg n GLU 320 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1rqg s GLU 321 N 0.00 1.25 0.08 3.49 2.02 -1.26 -5.12 118.70 119.16 1rqg s GLU 321 Ca 0.00 -1.46 -0.25 0.00 0.02 0.00 0.00 54.97 53.28 1rqg s GLU 321 Cb 0.00 0.33 -0.14 0.00 0.10 0.00 0.00 34.13 34.42 1rqg s GLU 321 CO 0.00 -0.44 0.58 0.28 0.02 0.00 0.00 175.26 175.69 1rqg n VAL 322 N -0.27 0.80 -2.91 2.63 0.31 -1.26 -4.82 118.33 112.80 1rqg n VAL 322 Ca -0.01 -0.20 -0.44 0.00 -0.01 0.00 0.00 64.34 63.68 1rqg n VAL 322 Cb 0.64 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.55 1rqg n VAL 322 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1rqg s GLU 323 N -0.40 3.62 0.53 5.55 1.03 -1.26 -4.57 118.70 123.20 1rqg s GLU 323 Ca 0.57 -1.77 0.05 0.00 0.03 0.00 0.00 54.97 53.84 1rqg s GLU 323 Cb -0.81 -4.94 0.05 0.00 -0.80 0.00 0.00 34.13 27.63 1rqg s GLU 323 CO 0.42 -1.79 0.39 0.00 -1.33 0.00 0.00 175.26 172.95 1rqg n ALA 324 N 6.60 0.81 -2.64 -0.84 0.00 -1.07 -4.87 120.51 118.50 1rqg n ALA 324 Ca 0.25 -2.13 -0.24 0.00 0.00 0.00 0.00 53.44 51.32 1rqg n ALA 324 Cb 0.49 0.88 -0.07 0.00 0.00 0.00 0.00 19.45 20.75 1rqg n ALA 324 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rqg s GLU 325 N -4.17 2.30 0.33 0.00 2.02 -1.26 -2.42 118.70 115.50 1rqg s GLU 325 Ca 0.30 -1.37 -0.28 0.00 0.02 0.00 0.00 54.97 53.64 1rqg s GLU 325 Cb -0.02 -2.19 -0.10 0.00 0.10 0.00 0.00 34.13 31.92 1rqg s GLU 325 CO 0.19 0.38 1.23 -1.58 0.02 0.00 0.00 175.26 175.50 1rqg s TRP 326 N -2.21 3.17 0.91 1.61 0.52 -1.26 0.68 118.94 122.36 1rqg s TRP 326 Ca 0.30 1.51 -0.12 0.00 0.02 0.00 0.00 56.10 57.82 1rqg s TRP 326 Cb -0.07 -3.54 0.14 0.00 -1.15 0.00 0.00 33.47 28.85 1rqg s TRP 326 CO 0.19 -1.46 1.09 -0.80 0.02 0.00 0.00 176.95 176.00 1rqg s ASN 327 N -0.70 3.31 0.29 2.95 -0.87 0.11 -4.69 114.94 115.34 1rqg s ASN 327 Ca 0.49 1.49 0.11 0.00 -1.57 0.00 0.00 52.86 53.38 1rqg s ASN 327 Cb -0.36 -2.16 -0.05 0.00 -0.02 0.00 0.00 41.25 38.66 1rqg s ASN 327 CO 0.48 -2.74 -0.11 -0.76 -2.57 0.00 0.00 177.10 171.39 1rqg s LEU 328 N -6.28 2.82 -0.37 0.60 1.02 -1.26 -5.00 118.68 110.20 1rqg s LEU 328 Ca 0.64 -0.92 -0.38 0.00 0.02 0.00 0.00 54.13 53.48 1rqg s LEU 328 Cb -0.18 -1.30 -0.14 0.00 0.02 0.00 0.00 46.19 44.59 1rqg s LEU 328 CO 0.57 -0.02 2.10 -2.65 0.02 0.00 0.00 176.35 176.37 1rqg n PRO 329 N -0.75 0.85 0.01 1.29 -0.02 -1.26 -4.55 135.00 130.58 1rqg n PRO 329 Ca -0.05 0.25 -0.13 0.00 -2.02 0.00 0.00 63.50 61.55 1rqg n PRO 329 Cb 0.60 -2.18 -0.09 0.00 -0.02 0.00 0.00 33.50 31.81 1rqg n PRO 329 CO 0.00 0.00 0.00 -0.92 1.98 0.00 0.00 175.50 176.56 1rqg h TYR 330 N 10.67 -0.02 -3.50 6.00 3.20 -0.89 -3.46 116.97 128.96 1rqg h TYR 330 Ca -0.27 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.50 1rqg h TYR 330 Cb 1.34 0.01 -0.17 0.00 1.54 0.00 0.00 36.73 39.45 1rqg h TYR 330 CO 0.93 0.29 -0.35 0.34 -1.64 0.00 0.00 178.16 177.73 1rqg s ASP 331 N -5.49 -0.01 -0.45 -2.11 3.68 -1.07 -4.85 116.67 106.37 1rqg s ASP 331 Ca -0.15 -0.33 0.08 0.00 2.13 0.00 0.00 52.55 54.28 1rqg s ASP 331 Cb 0.03 0.31 0.28 0.00 -1.45 0.00 0.00 42.92 42.09 1rqg s ASP 331 CO 0.66 -0.59 0.64 2.30 0.13 0.00 0.00 175.17 178.32 1rqg n ILE 332 N 0.61 0.36 -1.67 4.11 -5.35 -1.26 -1.21 119.36 114.94 1rqg n ILE 332 Ca -0.19 -4.51 -0.52 0.00 -0.27 0.00 0.00 62.75 57.27 1rqg n ILE 332 Cb 0.59 -1.62 -0.06 0.00 -1.74 0.00 0.00 39.64 36.81 1rqg n ILE 332 CO 0.00 0.00 0.00 -2.65 -1.76 0.00 0.00 176.55 172.14 1rqg n PRO 333 N 0.94 1.59 -4.28 6.28 -0.02 -1.17 -4.76 135.00 133.59 1rqg n PRO 333 Ca 0.24 0.58 -0.21 0.00 -2.02 0.00 0.00 63.50 62.09 1rqg n PRO 333 Cb 0.52 -2.32 -0.12 0.00 -0.02 0.00 0.00 33.50 31.56 1rqg n PRO 333 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rqg s ALA 334 N 2.65 1.49 0.13 3.55 0.00 -1.25 -0.55 121.76 127.77 1rqg s ALA 334 Ca 0.91 -1.09 0.11 0.00 0.00 0.00 0.00 51.96 51.89 1rqg s ALA 334 Cb -0.88 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 1rqg s ALA 334 CO 0.53 0.27 -0.27 -0.80 0.00 0.00 0.00 175.76 175.50 1rqg s ASN 335 N -1.70 3.32 1.11 0.00 0.02 -1.00 -4.78 114.94 111.91 1rqg s ASN 335 Ca 0.03 -0.75 -0.08 0.00 -1.02 0.00 0.00 52.86 51.04 1rqg s ASN 335 Cb -0.10 -0.22 0.12 0.00 0.02 0.00 0.00 41.25 41.07 1rqg s ASN 335 CO 0.03 0.18 0.39 -0.62 0.02 0.00 0.00 177.10 177.10 1rqg n GLU 336 N 0.92 -2.12 -2.12 -0.60 -0.58 0.88 -2.55 120.64 114.48 1rqg n GLU 336 Ca -0.18 -0.62 -0.28 0.00 -0.42 0.00 0.00 57.16 55.66 1rqg n GLU 336 Cb 0.53 -0.63 0.14 0.00 -0.57 0.00 0.00 31.44 30.91 1rqg n GLU 336 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 1rqg s TYR 337 N -1.66 1.93 0.03 -0.32 1.51 -1.26 -4.78 117.35 112.81 1rqg s TYR 337 Ca 0.26 0.24 0.05 0.00 -1.01 0.00 0.00 57.07 56.61 1rqg s TYR 337 Cb -0.03 -3.66 -0.02 0.00 -0.11 0.00 0.00 41.96 38.14 1rqg s TYR 337 CO 0.20 -2.16 -0.15 -1.17 -1.11 0.00 0.00 175.55 171.16 1rqg s LEU 338 N -5.59 2.14 0.30 -1.29 2.96 -1.26 -3.01 118.68 112.93 1rqg s LEU 338 Ca 0.69 -0.43 0.11 0.00 -0.22 0.00 0.00 54.13 54.29 1rqg s LEU 338 Cb -0.06 -0.68 -0.05 0.00 0.50 0.00 0.00 46.19 45.89 1rqg s LEU 338 CO 0.49 0.08 -0.17 0.42 -1.32 0.00 0.00 176.35 175.85 1rqg s THR 339 N -0.74 2.41 -0.25 3.68 -4.23 0.25 -4.04 115.64 112.72 1rqg s THR 339 Ca 0.03 -2.35 -0.00 0.00 -1.18 0.00 0.00 61.69 58.19 1rqg s THR 339 Cb -0.07 -2.40 0.04 0.00 1.34 0.00 0.00 72.50 71.40 1rqg s THR 339 CO 0.01 -0.34 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.45 1rqg s LEU 340 N -3.54 3.26 -1.53 4.79 2.96 0.31 0.95 118.68 125.87 1rqg s LEU 340 Ca 0.31 -1.05 -0.09 0.00 -0.22 0.00 0.00 54.13 53.08 1rqg s LEU 340 Cb -0.03 -1.62 0.07 0.00 0.50 0.00 0.00 46.19 45.11 1rqg s LEU 340 CO 0.15 -0.15 0.66 -0.62 -1.32 0.00 0.00 176.35 175.07 1rqg n GLU 341 N 4.60 -3.68 -0.40 1.98 -0.58 0.70 -1.42 120.64 121.84 1rqg n GLU 341 Ca -0.16 0.43 0.00 0.00 -0.42 0.00 0.00 57.16 57.01 1rqg n GLU 341 Cb 0.45 -4.92 0.00 0.00 -0.57 0.00 0.00 31.44 26.40 1rqg n GLU 341 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1rqg n GLY 342 N -1.70 1.07 3.26 0.62 0.00 -1.26 -5.04 105.19 102.13 1rqg n GLY 342 Ca -0.11 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.74 1rqg n GLY 342 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rqg s LYS 343 N -0.43 1.08 0.51 1.61 1.02 -0.51 -5.10 119.74 117.93 1rqg s LYS 343 Ca 0.00 -1.34 -0.19 0.00 0.02 0.00 0.00 55.97 54.46 1rqg s LYS 343 Cb 0.00 -0.89 -0.07 0.00 -0.52 0.00 0.00 37.83 36.35 1rqg s LYS 343 CO 0.00 0.16 1.05 -1.59 -0.92 0.00 0.00 175.35 174.05 1rqg s LYS 344 N -3.03 3.66 0.36 1.68 0.00 -1.26 0.11 119.74 121.26 1rqg s LYS 344 Ca 0.13 1.37 -0.28 0.00 0.00 0.00 0.00 55.97 57.18 1rqg s LYS 344 Cb -0.03 -2.07 -0.12 0.00 0.00 0.00 0.00 37.83 35.61 1rqg s LYS 344 CO 0.03 -0.55 1.38 1.19 0.00 0.00 0.00 175.35 177.40 1rqg n PHE 345 N -1.19 2.62 -3.47 1.78 0.99 -1.26 -4.74 117.46 112.20 1rqg n PHE 345 Ca 0.09 0.50 -0.17 0.00 -0.00 0.00 0.00 57.45 57.87 1rqg n PHE 345 Cb 0.52 -2.47 -0.12 0.00 -1.00 0.00 0.00 39.48 36.41 1rqg n PHE 345 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 1rqg s SER 346 N -0.22 1.36 0.26 4.37 0.15 0.30 -4.98 113.70 114.93 1rqg s SER 346 Ca 0.54 -0.28 -0.02 0.00 0.70 0.00 0.00 55.95 56.89 1rqg s SER 346 Cb -0.53 0.46 0.33 0.00 -1.71 0.00 0.00 66.02 64.57 1rqg s SER 346 CO 0.63 -0.34 1.75 0.74 1.20 0.00 0.00 173.24 177.23 1rqg h THR 347 N 6.29 1.24 0.58 6.45 2.02 -1.94 0.40 112.91 127.96 1rqg h THR 347 Ca -0.17 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 65.97 1rqg h THR 347 Cb 1.14 0.89 0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1rqg h THR 347 CO 0.29 0.36 -0.28 0.28 0.37 0.00 0.00 175.52 176.54 1rqg h SER 348 N 0.74 -0.66 0.00 4.18 0.02 -1.94 -2.27 113.55 113.61 1rqg h SER 348 Ca 0.14 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1rqg h SER 348 Cb 0.46 0.17 0.00 0.00 0.14 0.00 0.00 62.40 63.17 1rqg h SER 348 CO 0.02 -0.45 0.00 -1.14 -1.14 0.00 0.00 176.83 174.13 1rqg n ARG 349 N -4.24 0.34 -3.86 3.45 0.63 -1.17 -4.82 116.66 106.98 1rqg n ARG 349 Ca -0.10 0.00 -0.24 0.00 -0.92 0.00 0.00 57.85 56.59 1rqg n ARG 349 Cb 0.31 -1.42 0.00 0.00 0.45 0.00 0.00 32.46 31.80 1rqg n ARG 349 CO 0.00 0.00 0.00 -1.71 -2.51 0.00 0.00 177.63 173.41 1rqg n ASN 350 N -0.92 -0.90 -3.77 6.15 2.85 0.10 -4.78 115.26 114.00 1rqg n ASN 350 Ca 0.07 -0.92 -0.30 0.00 -0.11 0.00 0.00 54.58 53.31 1rqg n ASN 350 Cb 0.03 -3.47 -0.15 0.00 1.24 0.00 0.00 39.78 37.43 1rqg n ASN 350 CO 0.00 0.00 0.00 0.86 -2.11 0.00 0.00 177.26 176.01 1rqg s TRP 351 N -3.80 1.98 0.07 1.20 -0.11 0.10 -4.58 118.94 113.79 1rqg s TRP 351 Ca 0.05 -1.94 -0.28 0.00 1.22 0.00 0.00 56.10 55.16 1rqg s TRP 351 Cb -0.03 -1.87 0.09 0.00 -1.50 0.00 0.00 33.47 30.16 1rqg s TRP 351 CO 0.86 -0.88 1.09 0.00 -4.62 0.00 0.00 176.95 173.40 1rqg s ALA 352 N 1.44 -1.90 -0.52 5.86 0.00 -1.26 0.11 121.76 125.49 1rqg s ALA 352 Ca 0.10 0.44 -0.07 0.00 0.00 0.00 0.00 51.96 52.44 1rqg s ALA 352 Cb -0.18 0.49 0.14 0.00 0.00 0.00 0.00 23.12 23.57 1rqg s ALA 352 CO -0.21 -1.01 0.37 0.42 0.00 0.00 0.00 175.76 175.32 1rqg s ILE 353 N -2.92 4.01 -0.11 0.00 -1.09 -1.26 -5.00 121.20 114.84 1rqg s ILE 353 Ca 0.12 -2.16 -0.30 0.00 -2.23 0.00 0.00 60.65 56.09 1rqg s ILE 353 Cb 0.01 -3.64 -0.02 0.00 -1.58 0.00 0.00 42.46 37.23 1rqg s ILE 353 CO -0.01 -0.80 1.25 0.26 -1.23 0.00 0.00 174.94 174.41 1rqg s TRP 354 N 0.90 2.99 0.19 3.97 0.52 -1.26 -0.86 118.94 125.40 1rqg s TRP 354 Ca 0.10 1.08 -0.13 0.00 0.02 0.00 0.00 56.10 57.17 1rqg s TRP 354 Cb -0.23 -3.48 0.21 0.00 -1.15 0.00 0.00 33.47 28.83 1rqg s TRP 354 CO -0.03 -1.59 1.67 0.28 0.02 0.00 0.00 176.95 177.30 1rqg h VAL 355 N 5.25 0.54 -0.25 4.03 2.07 -1.79 0.11 116.25 126.21 1rqg h VAL 355 Ca -0.31 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.15 1rqg h VAL 355 Cb 1.13 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.34 1rqg h VAL 355 CO 0.93 0.01 -0.03 1.12 0.02 0.00 0.00 177.57 179.62 1rqg h HIS 356 N 0.08 0.38 0.16 1.57 2.07 -1.92 0.22 115.15 117.71 1rqg h HIS 356 Ca 0.27 -0.03 -0.01 0.00 -2.85 0.00 0.00 60.37 57.75 1rqg h HIS 356 Cb 0.42 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.29 1rqg h HIS 356 CO -0.36 0.41 -0.08 0.93 -3.07 0.00 0.00 177.93 175.76 1rqg h GLU 357 N 0.36 -0.21 -1.00 5.12 5.08 -1.69 -3.29 114.58 118.96 1rqg h GLU 357 Ca 0.08 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.63 1rqg h GLU 357 Cb 0.29 0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.49 1rqg h GLU 357 CO 0.01 0.10 0.62 0.35 -1.00 0.00 0.00 179.01 179.09 1rqg h PHE 358 N -0.99 1.05 0.00 4.33 3.04 -0.70 0.29 116.94 123.97 1rqg h PHE 358 Ca -0.02 0.03 0.00 0.00 3.98 0.00 0.00 57.97 61.96 1rqg h PHE 358 Cb 0.41 -0.32 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1rqg h PHE 358 CO 0.06 0.29 0.00 1.28 -2.02 0.00 0.00 178.31 177.92 1rqg n LEU 359 N -4.71 0.00 0.07 0.59 4.32 0.75 -2.08 117.00 115.94 1rqg n LEU 359 Ca 0.22 0.00 0.10 0.00 -0.02 0.00 0.00 56.01 56.31 1rqg n LEU 359 Cb 0.53 0.00 -0.05 0.00 -1.62 0.00 0.00 43.42 42.28 1rqg n LEU 359 CO 0.24 0.00 -0.21 0.47 -1.22 0.00 0.00 177.39 176.66 1rqg n ASP 360 N -0.57 0.64 -0.01 -1.43 10.43 0.10 -4.43 116.55 121.28 1rqg n ASP 360 Ca 0.02 0.25 0.00 0.00 2.57 0.00 0.00 54.79 57.64 1rqg n ASP 360 Cb 0.01 0.79 -0.04 0.00 1.84 0.00 0.00 41.12 43.72 1rqg n ASP 360 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 1rqg n VAL 361 N -2.60 0.14 -4.57 2.53 0.31 -0.90 -5.04 118.33 108.19 1rqg n VAL 361 Ca -0.03 -0.14 -0.23 0.00 -0.01 0.00 0.00 64.34 63.93 1rqg n VAL 361 Cb 0.60 -0.18 -0.14 0.00 -0.91 0.00 0.00 33.84 33.21 1rqg n VAL 361 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1rqg s PHE 362 N -2.23 1.53 0.67 3.52 0.40 -0.89 -5.11 117.98 115.87 1rqg s PHE 362 Ca -0.02 -0.34 -0.17 0.00 -0.60 0.00 0.00 56.93 55.79 1rqg s PHE 362 Cb 0.02 -0.93 0.00 0.00 0.51 0.00 0.00 43.02 42.63 1rqg s PHE 362 CO 0.19 0.05 1.27 -2.14 0.70 0.00 0.00 175.22 175.28 1rqg s PRO 363 N -0.98 2.42 0.45 0.24 0.02 -1.26 -4.43 135.00 131.46 1rqg s PRO 363 Ca 0.05 1.97 0.14 0.00 0.02 0.00 0.00 61.00 63.19 1rqg s PRO 363 Cb -0.08 -1.84 1.07 0.00 0.02 0.00 0.00 34.50 33.67 1rqg s PRO 363 CO 0.01 -1.67 2.01 0.00 -0.33 0.00 0.00 177.00 177.02 1rqg h ALA 364 N 0.30 2.03 -0.69 -1.55 0.00 -1.92 -2.04 119.26 115.38 1rqg h ALA 364 Ca -0.50 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.36 1rqg h ALA 364 Cb 1.32 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.01 1rqg h ALA 364 CO 0.52 -0.14 0.28 -0.44 0.00 0.00 0.00 179.25 179.47 1rqg h ASP 365 N 0.35 0.94 -0.60 0.00 3.32 -1.93 0.51 116.42 119.01 1rqg h ASP 365 Ca 0.23 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.09 1rqg h ASP 365 Cb 0.47 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1rqg h ASP 365 CO -0.06 0.84 0.13 1.88 -1.72 0.00 0.00 179.24 180.31 1rqg h TYR 366 N 1.00 1.02 -0.07 4.55 -1.99 -1.73 0.69 116.97 120.44 1rqg h TYR 366 Ca 0.23 -0.13 -0.20 0.00 2.00 0.00 0.00 58.73 60.64 1rqg h TYR 366 Cb 0.19 -0.29 -0.00 0.00 2.00 0.00 0.00 36.73 38.64 1rqg h TYR 366 CO 0.02 0.87 -0.78 1.25 -0.00 0.00 0.00 178.16 179.51 1rqg h LEU 367 N 0.88 0.56 -0.26 3.88 5.85 -1.39 -2.06 115.31 122.77 1rqg h LEU 367 Ca 0.19 -0.38 -0.20 0.00 0.84 0.00 0.00 57.88 58.32 1rqg h LEU 367 Cb 0.37 -0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1rqg h LEU 367 CO 0.00 1.14 -0.63 0.03 -0.34 0.00 0.00 178.44 178.65 1rqg h ARG 368 N 0.30 0.84 0.76 1.25 3.08 -0.66 -2.48 114.38 117.48 1rqg h ARG 368 Ca -0.04 -0.58 -0.04 0.00 0.07 0.00 0.00 59.98 59.38 1rqg h ARG 368 Cb 1.38 0.09 0.01 0.00 0.08 0.00 0.00 29.97 31.52 1rqg h ARG 368 CO 0.14 1.21 -0.37 -0.92 -1.07 0.00 0.00 179.97 178.96 1rqg h TYR 369 N 0.62 -0.95 -0.54 3.04 5.03 0.44 -2.22 116.97 122.39 1rqg h TYR 369 Ca -0.01 -0.02 0.06 0.00 2.58 0.00 0.00 58.73 61.34 1rqg h TYR 369 Cb 1.24 0.31 -0.05 0.00 1.55 0.00 0.00 36.73 39.79 1rqg h TYR 369 CO 0.08 -0.58 0.26 -0.92 -1.32 0.00 0.00 178.16 175.68 1rqg h TYR 370 N -1.21 0.47 -0.79 -3.82 3.20 -1.48 -0.67 116.97 112.65 1rqg h TYR 370 Ca -0.10 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1rqg h TYR 370 Cb 0.80 -0.13 -0.04 0.00 1.54 0.00 0.00 36.73 38.90 1rqg h TYR 370 CO -0.00 0.20 0.50 -0.07 -1.64 0.00 0.00 178.16 177.16 1rqg h LEU 371 N 0.49 0.93 -0.92 2.82 3.38 -1.47 -0.64 115.31 119.89 1rqg h LEU 371 Ca 0.25 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 1rqg h LEU 371 Cb 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 1rqg h LEU 371 CO -0.20 0.70 -0.48 0.74 0.09 0.00 0.00 178.44 179.29 1rqg h THR 372 N 1.09 1.17 0.00 0.22 2.02 -0.77 0.35 112.91 116.98 1rqg h THR 372 Ca 0.29 -1.73 -0.02 0.00 0.77 0.00 0.00 66.41 65.72 1rqg h THR 372 Cb -0.09 1.98 -0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1rqg h THR 372 CO -0.06 0.47 -0.09 0.74 0.37 0.00 0.00 175.52 176.95 1rqg h THR 373 N 0.00 0.43 0.00 3.16 2.02 0.38 -2.84 112.91 116.07 1rqg h THR 373 Ca -0.00 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1rqg h THR 373 Cb 0.94 1.30 -0.07 0.00 -1.74 0.00 0.00 68.15 68.59 1rqg h THR 373 CO 0.06 0.08 -0.42 2.30 0.37 0.00 0.00 175.52 177.92 1rqg n ILE 374 N -3.52 1.26 -1.72 3.11 -5.35 -0.80 -5.03 119.36 107.32 1rqg n ILE 374 Ca -0.02 -1.85 -0.62 0.00 -0.27 0.00 0.00 62.75 60.00 1rqg n ILE 374 Cb 0.22 0.13 -0.08 0.00 -1.74 0.00 0.00 39.64 38.16 1rqg n ILE 374 CO 0.00 0.00 0.00 0.80 -1.76 0.00 0.00 176.55 175.59 1rqg n MET 375 N -0.72 0.62 -0.40 6.28 1.56 0.05 -4.68 117.12 119.83 1rqg n MET 375 Ca 0.12 0.23 -0.04 0.00 -0.27 0.00 0.00 57.70 57.73 1rqg n MET 375 Cb 0.75 -1.83 -0.06 0.00 2.15 0.00 0.00 33.22 34.23 1rqg n MET 375 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 1rqg n PRO 376 N 4.58 0.79 0.00 2.12 -0.02 -1.26 -4.72 135.00 136.50 1rqg n PRO 376 Ca 0.28 -0.37 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 1rqg n PRO 376 Cb 0.05 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 1rqg n PRO 376 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1rqg n GLU 377 N 2.65 0.00 0.10 -0.52 1.02 -1.26 -0.08 120.64 122.55 1rqg n GLU 377 Ca 0.16 0.00 0.10 0.00 -0.02 0.00 0.00 57.16 57.39 1rqg n GLU 377 Cb 0.37 -0.10 0.44 0.00 -0.02 0.00 0.00 31.44 32.13 1rqg n GLU 377 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1rqg n THR 378 N 0.00 1.04 -3.27 2.62 -2.24 -1.26 -3.87 114.28 107.30 1rqg n THR 378 Ca 0.00 0.40 -0.02 0.00 -2.27 0.00 0.00 64.05 62.16 1rqg n THR 378 Cb 0.00 -1.33 0.00 0.00 -2.10 0.00 0.00 70.33 66.90 1rqg n THR 378 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 1rqg n ARG 379 N -2.05 0.21 -2.72 -0.78 -4.01 -1.26 -4.98 116.66 101.07 1rqg n ARG 379 Ca 0.01 -0.47 -0.32 0.00 -1.04 0.00 0.00 57.85 56.03 1rqg n ARG 379 Cb 0.14 0.55 -0.06 0.00 -3.04 0.00 0.00 32.46 30.06 1rqg n ARG 379 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1rqg s ASP 380 N -1.42 6.80 0.14 2.89 1.11 -1.26 -4.40 116.67 120.52 1rqg s ASP 380 Ca 0.04 1.58 0.06 0.00 0.18 0.00 0.00 52.55 54.40 1rqg s ASP 380 Cb -0.01 -2.50 -0.04 0.00 1.07 0.00 0.00 42.92 41.44 1rqg s ASP 380 CO 0.03 -0.42 -0.13 -0.44 1.18 0.00 0.00 175.17 175.39 1rqg s SER 381 N -2.54 1.96 -0.21 0.27 0.01 -1.16 -4.97 113.70 107.06 1rqg s SER 381 Ca 0.60 -0.89 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 1rqg s SER 381 Cb -0.09 -0.05 0.01 0.00 0.21 0.00 0.00 66.02 66.09 1rqg s SER 381 CO 0.20 -0.21 -0.09 -0.62 0.41 0.00 0.00 173.24 172.94 1rqg s ASP 382 N -2.75 3.98 0.14 2.44 2.15 -1.26 -0.58 116.67 120.79 1rqg s ASP 382 Ca 0.12 -0.55 -0.30 0.00 0.43 0.00 0.00 52.55 52.25 1rqg s ASP 382 Cb -0.02 -1.65 -0.07 0.00 -0.30 0.00 0.00 42.92 40.87 1rqg s ASP 382 CO 0.03 -0.04 1.22 0.12 -0.17 0.00 0.00 175.17 176.33 1rqg s PHE 383 N 1.40 3.41 -0.09 -5.34 5.36 0.27 -4.85 117.98 118.14 1rqg s PHE 383 Ca 0.05 1.34 -0.06 0.00 -0.96 0.00 0.00 56.93 57.30 1rqg s PHE 383 Cb -0.14 -3.45 0.03 0.00 -0.34 0.00 0.00 43.02 39.12 1rqg s PHE 383 CO -0.06 -1.34 0.21 0.45 -1.46 0.00 0.00 175.22 173.02 1rqg s SER 384 N 0.49 -0.22 0.21 6.13 0.15 -1.26 -0.21 113.70 118.99 1rqg s SER 384 Ca 0.56 0.44 -0.07 0.00 0.70 0.00 0.00 55.95 57.58 1rqg s SER 384 Cb -0.32 0.38 0.17 0.00 -1.71 0.00 0.00 66.02 64.53 1rqg s SER 384 CO 0.34 -0.12 1.73 -0.26 1.20 0.00 0.00 173.24 176.12 1rqg h PHE 385 N 6.64 1.13 -0.39 3.44 0.04 -1.99 0.18 116.94 125.99 1rqg h PHE 385 Ca -0.35 -0.14 -0.09 0.00 2.80 0.00 0.00 57.97 60.20 1rqg h PHE 385 Cb 1.17 -0.32 -0.02 0.00 2.20 0.00 0.00 35.95 38.98 1rqg h PHE 385 CO 0.39 0.93 -0.11 0.66 -0.60 0.00 0.00 178.31 179.58 1rqg h SER 386 N 1.02 0.68 -0.40 2.17 4.64 -2.00 -1.94 113.55 117.72 1rqg h SER 386 Ca 0.21 -0.19 -0.14 0.00 -0.47 0.00 0.00 61.79 61.19 1rqg h SER 386 Cb 0.39 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 62.29 1rqg h SER 386 CO 0.01 0.82 -0.30 -0.78 -0.87 0.00 0.00 176.83 175.71 1rqg h ASP 387 N 0.63 0.97 0.96 4.97 -0.00 -1.88 -2.31 116.42 119.75 1rqg h ASP 387 Ca 0.11 -0.40 -0.05 0.00 -0.00 0.00 0.00 57.03 56.69 1rqg h ASP 387 Cb 0.56 -0.27 0.01 0.00 -0.00 0.00 0.00 39.33 39.63 1rqg h ASP 387 CO 0.03 1.19 -0.46 0.15 -0.00 0.00 0.00 179.24 180.15 1rqg h PHE 388 N 0.78 -1.19 -0.47 0.28 3.57 -0.19 -1.97 116.94 117.76 1rqg h PHE 388 Ca 0.08 -0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.54 1rqg h PHE 388 Cb 0.88 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.99 1rqg h PHE 388 CO 0.05 -0.74 0.25 1.57 -2.23 0.00 0.00 178.31 177.21 1rqg h LYS 389 N -1.30 0.66 -0.70 1.11 2.10 -1.44 -2.03 116.57 114.97 1rqg h LYS 389 Ca -0.13 -0.08 0.03 0.00 -2.00 0.00 0.00 60.65 58.46 1rqg h LYS 389 Cb 0.99 -0.13 -0.04 0.00 -0.90 0.00 0.00 32.23 32.15 1rqg h LYS 389 CO 0.22 0.53 0.44 0.28 -2.00 0.00 0.00 179.45 178.92 1rqg h VAL 390 N 0.61 1.09 -0.48 0.07 2.07 -1.46 0.37 116.25 118.53 1rqg h VAL 390 Ca 0.16 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.29 1rqg h VAL 390 Cb 0.08 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.00 1rqg h VAL 390 CO -0.02 0.16 -0.11 0.03 0.02 0.00 0.00 177.57 177.65 1rqg h ARG 391 N 0.85 0.92 0.83 1.57 3.08 -1.14 -0.53 114.38 119.96 1rqg h ARG 391 Ca 0.28 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.94 1rqg h ARG 391 Cb 0.02 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.02 1rqg h ARG 391 CO -0.11 1.00 -0.40 0.82 -1.07 0.00 0.00 179.97 180.21 1rqg h ILE 392 N 0.77 0.08 -0.58 2.04 1.08 -0.91 0.14 117.51 120.13 1rqg h ILE 392 Ca 0.12 -0.13 -0.01 0.00 -0.39 0.00 0.00 64.86 64.45 1rqg h ILE 392 Cb 0.66 0.09 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 1rqg h ILE 392 CO 0.05 0.01 0.34 0.78 -0.69 0.00 0.00 178.15 178.63 1rqg h ASN 393 N -1.24 0.71 0.28 1.72 -0.26 -1.00 0.55 115.58 116.34 1rqg h ASN 393 Ca -0.11 -0.07 -0.24 0.00 -0.56 0.00 0.00 56.30 55.31 1rqg h ASN 393 Cb 0.86 -0.18 0.01 0.00 -1.06 0.00 0.00 38.32 37.95 1rqg h ASN 393 CO 0.19 0.58 -0.99 -0.08 -1.06 0.00 0.00 177.43 176.06 1rqg h GLU 394 N 0.78 0.47 0.00 0.81 4.57 -1.13 0.11 114.58 120.19 1rqg h GLU 394 Ca 0.21 -0.52 0.00 0.00 -1.18 0.00 0.00 59.36 57.87 1rqg h GLU 394 Cb 0.01 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1rqg h GLU 394 CO -0.04 1.17 -0.57 0.39 -1.18 0.00 0.00 179.01 178.78 1rqg n GLU 395 N -3.76 0.33 -0.07 1.92 1.02 0.47 -3.82 120.64 116.73 1rqg n GLU 395 Ca -0.08 0.19 -0.11 0.00 -0.02 0.00 0.00 57.16 57.14 1rqg n GLU 395 Cb 0.86 -1.14 -0.04 0.00 -0.02 0.00 0.00 31.44 31.09 1rqg n GLU 395 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1rqg h LEU 396 N -0.64 0.36 0.04 -4.62 5.85 -0.27 -1.56 115.31 114.48 1rqg h LEU 396 Ca 0.00 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.46 1rqg h LEU 396 Cb 0.57 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1rqg h LEU 396 CO 0.00 0.52 -0.02 0.58 -0.34 0.00 0.00 178.44 179.18 1rqg h VAL 397 N 0.18 0.00 -0.03 1.05 2.07 -0.16 0.15 116.25 119.51 1rqg h VAL 397 Ca 0.07 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.43 1rqg h VAL 397 Cb 0.31 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1rqg h VAL 397 CO 0.00 0.00 0.06 0.78 0.02 0.00 0.00 177.57 178.43 1rqg h ASN 398 N -0.21 0.00 0.00 0.57 2.35 -0.92 -0.37 115.58 117.00 1rqg h ASN 398 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1rqg h ASN 398 Cb 0.04 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1rqg h ASN 398 CO 0.01 0.00 0.00 -3.20 -1.65 0.00 0.00 177.43 172.59 1rqg n ASN 399 N -3.46 0.00 0.20 5.81 2.85 -0.61 -4.32 115.26 115.72 1rqg n ASN 399 Ca -0.02 0.00 -0.15 0.00 -0.11 0.00 0.00 54.58 54.30 1rqg n ASN 399 Cb 0.14 -0.14 -0.07 0.00 1.24 0.00 0.00 39.78 40.94 1rqg n ASN 399 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1rqg h LEU 400 N 0.00 -0.75 -0.82 1.20 5.85 -1.52 -0.22 115.31 119.04 1rqg h LEU 400 Ca 0.00 0.06 0.02 0.00 0.84 0.00 0.00 57.88 58.81 1rqg h LEU 400 Cb 0.00 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.24 1rqg h LEU 400 CO 0.00 -0.41 0.54 1.23 -0.34 0.00 0.00 178.44 179.45 1rqg h GLY 401 N -0.61 1.18 0.87 3.75 0.00 -0.93 -2.29 103.07 105.04 1rqg h GLY 401 Ca -0.02 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 1rqg h GLY 401 CO -0.04 0.38 -0.27 -0.57 0.00 0.00 0.00 176.54 176.03 1rqg h ASN 402 N 1.06 -0.69 0.04 0.19 -0.73 -0.78 -1.63 115.58 113.05 1rqg h ASN 402 Ca 0.32 0.04 0.01 0.00 1.87 0.00 0.00 56.30 58.54 1rqg h ASN 402 Cb -0.05 0.21 -0.04 0.00 0.27 0.00 0.00 38.32 38.71 1rqg h ASN 402 CO -0.09 -0.43 -0.39 0.15 -0.37 0.00 0.00 177.43 176.29 1rqg h PHE 403 N -0.68 -1.14 -0.82 0.67 3.57 -0.84 -0.64 116.94 117.05 1rqg h PHE 403 Ca -0.05 0.03 0.19 0.00 3.53 0.00 0.00 57.97 61.68 1rqg h PHE 403 Cb 0.56 0.49 -0.15 0.00 2.79 0.00 0.00 35.95 39.65 1rqg h PHE 403 CO -0.10 -0.43 -0.03 0.28 -2.23 0.00 0.00 178.31 175.81 1rqg h VAL 404 N -0.52 0.25 0.26 1.41 2.07 -1.40 -0.20 116.25 118.11 1rqg h VAL 404 Ca 0.00 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 1rqg h VAL 404 Cb 0.54 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1rqg h VAL 404 CO -0.24 0.01 -0.12 -0.74 0.02 0.00 0.00 177.57 176.50 1rqg h HIS 405 N 0.07 -0.32 -0.00 1.57 -0.00 -0.79 -2.40 115.15 113.28 1rqg h HIS 405 Ca 0.45 -0.01 0.03 0.00 -0.00 0.00 0.00 60.37 60.84 1rqg h HIS 405 Cb 0.80 0.11 -0.06 0.00 -0.00 0.00 0.00 27.41 28.26 1rqg h HIS 405 CO -0.48 -0.16 -0.49 0.00 -0.00 0.00 0.00 177.93 176.81 1rqg h ARG 406 N -0.40 -0.61 -0.43 5.26 3.08 0.18 0.45 114.38 121.90 1rqg h ARG 406 Ca -0.04 0.04 0.04 0.00 0.07 0.00 0.00 59.98 60.10 1rqg h ARG 406 Cb 0.31 0.14 -0.07 0.00 0.08 0.00 0.00 29.97 30.43 1rqg h ARG 406 CO 0.06 -0.41 -0.42 0.00 -1.07 0.00 0.00 179.97 178.13 1rqg h ALA 407 N -0.25 -0.59 -0.22 0.04 0.00 -1.03 -1.14 119.26 116.08 1rqg h ALA 407 Ca 0.03 0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.99 1rqg h ALA 407 Cb 0.70 1.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.56 1rqg h ALA 407 CO -0.34 -0.81 0.05 -0.07 0.00 0.00 0.00 179.25 178.07 1rqg h LEU 408 N -0.21 0.03 -1.82 0.00 3.38 -1.29 -1.63 115.31 113.77 1rqg h LEU 408 Ca 0.07 0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.16 1rqg h LEU 408 Cb 0.40 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 1rqg h LEU 408 CO -0.51 0.05 0.49 0.74 0.09 0.00 0.00 178.44 179.30 1rqg h THR 409 N 0.14 0.20 0.02 0.22 2.02 -0.12 -0.53 112.91 114.88 1rqg h THR 409 Ca 0.10 0.00 -0.31 0.00 0.77 0.00 0.00 66.41 66.97 1rqg h THR 409 Cb 0.09 0.57 -0.04 0.00 -1.74 0.00 0.00 68.15 67.03 1rqg h THR 409 CO -0.12 0.00 -1.71 0.49 0.37 0.00 0.00 175.52 174.55 1rqg n PHE 410 N -3.35 0.82 0.33 3.16 0.99 -0.50 -2.76 117.46 116.15 1rqg n PHE 410 Ca 0.05 0.30 0.21 0.00 -0.00 0.00 0.00 57.45 58.02 1rqg n PHE 410 Cb 0.63 -1.09 1.15 0.00 -1.00 0.00 0.00 39.48 39.17 1rqg n PHE 410 CO 0.00 0.00 0.00 -0.24 -0.00 0.00 0.00 176.76 176.52 1rqg h VAL 411 N -0.74 0.06 0.00 -4.37 3.04 -0.75 -0.07 116.25 113.42 1rqg h VAL 411 Ca -0.44 0.00 -0.24 0.00 -1.01 0.00 0.00 66.70 65.01 1rqg h VAL 411 Cb 1.53 0.96 -0.04 0.00 -2.01 0.00 0.00 31.29 31.73 1rqg h VAL 411 CO -0.19 0.00 -1.57 -1.13 -1.01 0.00 0.00 177.57 173.68 1rqg h ASN 412 N 0.00 0.00 0.21 3.17 -1.24 -1.24 0.28 115.58 116.75 1rqg h ASN 412 Ca 0.00 0.00 -0.32 0.00 0.71 0.00 0.00 56.30 56.70 1rqg h ASN 412 Cb 0.08 0.00 0.02 0.00 0.73 0.00 0.00 38.32 39.16 1rqg h ASN 412 CO -0.00 0.83 -1.47 -0.09 -1.29 0.00 0.00 177.43 175.42 1rqg h ARG 413 N 0.00 0.44 -0.01 6.67 2.43 -0.87 -3.15 114.38 119.89 1rqg h ARG 413 Ca -0.23 -0.75 0.00 0.00 -0.81 0.00 0.00 59.98 58.19 1rqg h ARG 413 Cb 1.84 0.28 0.00 0.00 -0.42 0.00 0.00 29.97 31.67 1rqg h ARG 413 CO 0.07 1.36 -0.58 0.66 -1.51 0.00 0.00 179.97 179.97 1rqg n TYR 414 N -3.76 0.00 -1.19 2.20 4.02 -0.47 -4.58 117.16 113.38 1rqg n TYR 414 Ca -0.20 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.70 1rqg n TYR 414 Cb 1.04 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 40.36 1rqg n TYR 414 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 176.86 177.04 1rqg n PHE 415 N -0.72 0.00 -3.73 -0.72 3.01 -1.12 -5.02 117.46 109.16 1rqg n PHE 415 Ca 0.05 -0.06 -0.31 0.00 1.01 0.00 0.00 57.45 58.15 1rqg n PHE 415 Cb 0.32 -0.02 0.03 0.00 -0.01 0.00 0.00 39.48 39.81 1rqg n PHE 415 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1rqg n ASP 416 N -0.07 -4.41 -2.09 4.37 8.00 -1.15 -1.65 116.55 119.54 1rqg n ASP 416 Ca 0.00 -1.01 -0.08 0.00 0.71 0.00 0.00 54.79 54.41 1rqg n ASP 416 Cb 0.54 -3.33 -0.01 0.00 -0.02 0.00 0.00 41.12 38.30 1rqg n ASP 416 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rqg n GLY 417 N -1.73 -0.12 3.45 0.44 0.00 0.95 -4.91 105.19 103.27 1rqg n GLY 417 Ca -0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 1rqg n GLY 417 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rqg s VAL 418 N -2.17 3.56 -0.27 1.61 1.01 -0.66 -0.71 120.40 122.76 1rqg s VAL 418 Ca 0.00 -0.48 -0.28 0.00 0.00 0.00 0.00 61.98 61.22 1rqg s VAL 418 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.80 1rqg s VAL 418 CO 0.00 0.51 2.21 -0.69 0.00 0.00 0.00 175.10 177.13 1rqg s VAL 419 N 0.35 3.05 0.81 2.92 1.01 -0.43 -4.83 120.40 123.28 1rqg s VAL 419 Ca -0.07 0.05 -0.13 0.00 0.00 0.00 0.00 61.98 61.83 1rqg s VAL 419 Cb -0.15 -3.07 0.09 0.00 0.00 0.00 0.00 36.38 33.24 1rqg s VAL 419 CO 0.04 -0.05 1.20 -2.65 0.00 0.00 0.00 175.10 173.64 1rqg n PRO 420 N 8.78 0.16 -3.37 2.72 -0.02 -1.26 -0.62 135.00 141.39 1rqg n PRO 420 Ca 0.30 0.13 -0.38 0.00 -2.02 0.00 0.00 63.50 61.54 1rqg n PRO 420 Cb 0.47 -2.44 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 1rqg n PRO 420 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1rqg s GLU 421 N -4.13 4.06 -0.05 -0.52 2.12 -1.26 -4.67 118.70 114.26 1rqg s GLU 421 Ca 0.73 0.58 -0.28 0.00 0.36 0.00 0.00 54.97 56.36 1rqg s GLU 421 Cb -0.29 -3.18 -0.03 0.00 0.26 0.00 0.00 34.13 30.89 1rqg s GLU 421 CO 0.51 0.63 0.92 1.03 -0.54 0.00 0.00 175.26 177.82 1rqg s ARG 422 N -1.24 4.49 0.00 4.30 0.52 -1.26 -4.37 118.95 121.38 1rqg s ARG 422 Ca 0.28 1.28 0.00 0.00 -0.52 0.00 0.00 55.73 56.78 1rqg s ARG 422 Cb -0.18 -3.49 0.00 0.00 0.52 0.00 0.00 34.95 31.81 1rqg s ARG 422 CO 0.17 -0.11 0.00 0.41 0.02 0.00 0.00 175.30 175.79 1rqg n GLY 423 N 3.03 1.38 3.53 -3.53 0.00 -1.26 -5.02 105.19 103.31 1rqg n GLY 423 Ca 0.05 -1.95 -0.38 0.00 0.00 0.00 0.00 46.02 43.74 1rqg n GLY 423 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1rqg n GLU 424 N 0.00 0.70 -4.72 1.61 -0.58 -1.26 -4.97 120.64 111.41 1rqg n GLU 424 Ca 0.00 0.27 -0.33 0.00 -0.42 0.00 0.00 57.16 56.68 1rqg n GLU 424 Cb 0.00 -1.88 -0.14 0.00 -0.57 0.00 0.00 31.44 28.86 1rqg n GLU 424 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1rqg s LEU 425 N -0.27 2.84 0.00 -4.62 1.02 -1.26 -5.03 118.68 111.37 1rqg s LEU 425 Ca 0.71 -0.25 0.00 0.00 0.02 0.00 0.00 54.13 54.60 1rqg s LEU 425 Cb -0.45 -1.64 0.00 0.00 0.02 0.00 0.00 46.19 44.12 1rqg s LEU 425 CO 0.52 0.20 0.00 -0.90 0.02 0.00 0.00 176.35 176.19 1rqg n ASP 426 N 3.28 0.00 0.11 2.29 5.75 -1.26 -4.78 116.55 121.94 1rqg n ASP 426 Ca -0.18 -0.50 -0.12 0.00 -0.01 0.00 0.00 54.79 53.97 1rqg n ASP 426 Cb 0.53 0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.56 1rqg n ASP 426 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1rqg h GLU 427 N 0.00 -0.36 -0.71 0.11 4.39 -2.00 -1.44 114.58 114.58 1rqg h GLU 427 Ca 0.00 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.72 1rqg h GLU 427 Cb 0.00 0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1rqg h GLU 427 CO 0.00 -0.24 0.44 -0.07 -1.16 0.00 0.00 179.01 177.98 1rqg h LEU 428 N -0.37 0.85 -0.37 1.33 3.38 -1.97 0.19 115.31 118.34 1rqg h LEU 428 Ca 0.02 -0.05 0.04 0.00 0.09 0.00 0.00 57.88 57.98 1rqg h LEU 428 Cb 0.38 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 1rqg h LEU 428 CO -0.10 0.65 0.15 0.44 0.09 0.00 0.00 178.44 179.68 1rqg h ASP 429 N 0.97 0.18 -0.71 -0.43 3.32 -1.87 0.28 116.42 118.17 1rqg h ASP 429 Ca 0.26 0.03 -0.00 0.00 0.02 0.00 0.00 57.03 57.34 1rqg h ASP 429 Cb -0.05 0.01 -0.03 0.00 0.22 0.00 0.00 39.33 39.48 1rqg h ASP 429 CO -0.05 0.14 0.43 -0.09 -1.72 0.00 0.00 179.24 177.96 1rqg h ARG 430 N 0.31 0.95 -0.05 3.56 9.65 -0.74 -2.79 114.38 125.28 1rqg h ARG 430 Ca 0.17 -0.08 -0.15 0.00 -1.10 0.00 0.00 59.98 58.81 1rqg h ARG 430 Cb 0.12 -0.20 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1rqg h ARG 430 CO -0.15 0.67 -0.66 1.49 2.80 0.00 0.00 179.97 184.12 1rqg h GLU 431 N 0.96 0.22 -0.34 0.20 4.81 -0.09 -2.97 114.58 117.37 1rqg h GLU 431 Ca 0.25 -0.16 -0.05 0.00 -0.13 0.00 0.00 59.36 59.28 1rqg h GLU 431 Cb -0.05 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.35 1rqg h GLU 431 CO -0.05 0.79 0.03 0.00 -0.73 0.00 0.00 179.01 179.06 1rqg h ALA 432 N 1.16 0.46 0.00 2.92 0.00 -0.20 0.03 119.26 123.63 1rqg h ALA 432 Ca -0.01 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.61 1rqg h ALA 432 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1rqg h ALA 432 CO 0.10 0.18 -0.34 -0.07 0.00 0.00 0.00 179.25 179.12 1rqg h LEU 433 N 0.40 0.00 -0.17 0.00 3.38 -1.54 -2.61 115.31 114.78 1rqg h LEU 433 Ca 0.10 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.86 1rqg h LEU 433 Cb 0.39 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.15 1rqg h LEU 433 CO 0.01 0.34 -0.72 -0.33 0.09 0.00 0.00 178.44 177.83 1rqg h GLU 434 N 0.00 0.78 -0.80 1.13 5.08 -1.31 -3.05 114.58 116.41 1rqg h GLU 434 Ca -0.00 -0.62 0.06 0.00 -1.00 0.00 0.00 59.36 57.79 1rqg h GLU 434 Cb 0.74 0.12 -0.06 0.00 0.50 0.00 0.00 28.75 30.05 1rqg h GLU 434 CO 0.04 1.23 0.49 0.93 -1.00 0.00 0.00 179.01 180.71 1rqg h GLU 435 N 0.52 0.87 -0.62 2.33 4.39 -0.72 0.14 114.58 121.49 1rqg h GLU 435 Ca -0.04 -0.05 0.06 0.00 0.34 0.00 0.00 59.36 59.66 1rqg h GLU 435 Cb 1.35 -0.20 -0.05 0.00 -0.10 0.00 0.00 28.75 29.75 1rqg h GLU 435 CO 0.15 0.58 0.33 0.82 -1.16 0.00 0.00 179.01 179.73 1rqg h ILE 436 N 0.90 0.96 -0.18 3.13 2.04 -1.42 0.96 117.51 123.89 1rqg h ILE 436 Ca 0.35 -0.21 -0.01 0.00 1.00 0.00 0.00 64.86 65.98 1rqg h ILE 436 Cb 0.16 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1rqg h ILE 436 CO -0.17 0.11 0.07 -0.33 0.00 0.00 0.00 178.15 177.83 1rqg h GLU 437 N 0.63 0.28 -0.35 2.37 5.08 -1.08 -2.74 114.58 118.76 1rqg h GLU 437 Ca 0.28 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 58.65 1rqg h GLU 437 Cb 0.17 -0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 1rqg h GLU 437 CO -0.18 0.37 -0.07 0.87 -1.00 0.00 0.00 179.01 179.01 1rqg h LYS 438 N 0.13 0.02 0.18 2.33 1.57 -0.03 -1.95 116.57 118.82 1rqg h LYS 438 Ca 0.06 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1rqg h LYS 438 Cb 0.20 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.49 1rqg h LYS 438 CO -0.00 0.01 -0.28 0.00 -0.57 0.00 0.00 179.45 178.61 1rqg h ALA 439 N 1.34 -0.89 -0.89 3.86 0.00 -0.74 0.12 119.26 122.05 1rqg h ALA 439 Ca 0.17 -0.08 0.24 0.00 0.00 0.00 0.00 54.91 55.23 1rqg h ALA 439 Cb 0.25 0.59 -0.16 0.00 0.00 0.00 0.00 17.79 18.48 1rqg h ALA 439 CO -0.34 -0.93 0.10 0.74 0.00 0.00 0.00 179.25 178.82 1rqg h PHE 440 N -0.49 0.10 0.69 0.00 -1.00 -1.30 0.23 116.94 115.18 1rqg h PHE 440 Ca -0.02 0.06 -0.03 0.00 2.81 0.00 0.00 57.97 60.78 1rqg h PHE 440 Cb 0.45 0.10 0.01 0.00 3.61 0.00 0.00 35.95 40.11 1rqg h PHE 440 CO -0.26 -0.31 -0.33 -0.22 -1.61 0.00 0.00 178.31 175.57 1rqg h LYS 441 N 0.10 -0.90 -0.25 1.51 3.11 -0.80 -2.49 116.57 116.85 1rqg h LYS 441 Ca 0.54 0.06 -0.07 0.00 -2.81 0.00 0.00 60.65 58.37 1rqg h LYS 441 Cb 1.09 0.20 -0.01 0.00 -1.00 0.00 0.00 32.23 32.52 1rqg h LYS 441 CO -0.77 -0.57 -0.13 0.93 -2.81 0.00 0.00 179.45 176.10 1rqg h GLU 442 N -1.03 0.54 -0.26 1.90 5.08 0.31 -2.72 114.58 118.40 1rqg h GLU 442 Ca -0.09 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.06 1rqg h GLU 442 Cb 0.74 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.94 1rqg h GLU 442 CO 0.16 0.80 0.03 0.28 -1.00 0.00 0.00 179.01 179.28 1rqg h VAL 443 N 0.26 0.85 -0.70 3.13 2.07 -0.69 0.06 116.25 121.23 1rqg h VAL 443 Ca 0.05 -0.04 0.13 0.00 0.82 0.00 0.00 66.70 67.66 1rqg h VAL 443 Cb 0.65 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 31.05 1rqg h VAL 443 CO 0.04 0.02 0.25 1.23 0.02 0.00 0.00 177.57 179.13 1rqg h GLY 444 N 0.12 1.01 1.04 2.17 0.00 -1.39 -1.20 103.07 104.82 1rqg h GLY 444 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 1rqg h GLY 444 CO -0.18 -0.09 -0.16 0.83 0.00 0.00 0.00 176.54 176.95 1rqg h GLU 445 N 0.40 0.89 -0.55 4.80 5.08 -1.03 -2.41 114.58 121.76 1rqg h GLU 445 Ca 0.37 -0.37 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1rqg h GLU 445 Cb 0.55 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.73 1rqg h GLU 445 CO -0.39 1.01 0.31 -0.07 -1.00 0.00 0.00 179.01 178.88 1rqg h LEU 446 N 0.73 0.66 0.22 1.33 3.38 -0.26 -2.69 115.31 118.68 1rqg h LEU 446 Ca 0.11 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1rqg h LEU 446 Cb 0.71 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1rqg h LEU 446 CO 0.05 0.52 -0.11 0.40 0.09 0.00 0.00 178.44 179.40 1rqg h ILE 447 N 0.75 0.83 0.00 1.22 2.04 -1.06 0.22 117.51 121.51 1rqg h ILE 447 Ca 0.20 -0.78 0.00 0.00 1.00 0.00 0.00 64.86 65.28 1rqg h ILE 447 Cb 0.00 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1rqg h ILE 447 CO -0.03 0.16 0.08 0.23 0.00 0.00 0.00 178.15 178.58 1rqg n MET 448 N -5.04 0.00 -0.14 2.37 2.81 -0.93 0.37 117.12 116.56 1rqg n MET 448 Ca -0.09 0.36 0.05 0.00 -1.81 0.00 0.00 57.70 56.21 1rqg n MET 448 Cb 0.26 -1.58 0.12 0.00 -0.71 0.00 0.00 33.22 31.31 1rqg n MET 448 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 1rqg n ASN 449 N -1.35 2.72 -1.14 7.83 3.02 -1.03 -4.97 115.26 120.34 1rqg n ASN 449 Ca 0.00 -1.95 -0.12 0.00 -0.03 0.00 0.00 54.58 52.48 1rqg n ASN 449 Cb 0.08 -0.18 -0.03 0.00 -0.61 0.00 0.00 39.78 39.03 1rqg n ASN 449 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1rqg n TYR 450 N 0.39 -0.27 -3.05 3.10 4.01 0.16 -4.93 117.16 116.57 1rqg n TYR 450 Ca 0.10 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.43 1rqg n TYR 450 Cb 0.39 -2.46 -0.00 0.00 -0.31 0.00 0.00 39.34 36.95 1rqg n TYR 450 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 1rqg n ARG 451 N -2.43 4.23 -0.05 -0.72 5.12 0.73 -4.82 116.66 118.73 1rqg n ARG 451 Ca -0.13 -4.58 -0.14 0.00 -1.93 0.00 0.00 57.85 51.06 1rqg n ARG 451 Cb 0.50 -2.47 -0.08 0.00 -1.16 0.00 0.00 32.46 29.25 1rqg n ARG 451 CO 0.00 0.00 0.00 0.74 -1.93 0.00 0.00 177.63 176.44 1rqg h PHE 452 N 5.22 0.58 -0.89 -1.55 -1.00 -1.90 0.76 116.94 118.15 1rqg h PHE 452 Ca 0.21 -0.22 0.10 0.00 2.81 0.00 0.00 57.97 60.87 1rqg h PHE 452 Cb 0.61 -0.10 -0.07 0.00 3.61 0.00 0.00 35.95 40.00 1rqg h PHE 452 CO 0.98 0.94 0.58 -0.22 -1.61 0.00 0.00 178.31 178.98 1rqg h LYS 453 N 0.05 0.83 0.03 1.51 3.64 -1.88 0.29 116.57 121.04 1rqg h LYS 453 Ca -0.00 -0.05 -0.24 0.00 -1.27 0.00 0.00 60.65 59.09 1rqg h LYS 453 Cb 0.93 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.53 1rqg h LYS 453 CO 0.07 0.55 -1.21 -0.44 -2.27 0.00 0.00 179.45 176.15 1rqg h ASP 454 N 0.86 0.10 -0.09 4.20 3.32 -1.88 -2.93 116.42 120.00 1rqg h ASP 454 Ca 0.42 -0.12 -0.01 0.00 0.02 0.00 0.00 57.03 57.34 1rqg h ASP 454 Cb 0.46 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.98 1rqg h ASP 454 CO -0.18 1.09 0.01 0.00 -1.72 0.00 0.00 179.24 178.44 1rqg h ALA 455 N 0.89 0.12 -0.23 3.45 0.00 0.40 -0.61 119.26 123.29 1rqg h ALA 455 Ca -0.10 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.65 1rqg h ALA 455 Cb 1.86 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1rqg h ALA 455 CO 0.13 -0.22 0.14 1.25 0.00 0.00 0.00 179.25 180.55 1rqg h LEU 456 N -0.10 0.27 -0.60 0.00 5.85 -0.59 -1.16 115.31 118.98 1rqg h LEU 456 Ca 0.03 -0.01 -0.13 0.00 0.84 0.00 0.00 57.88 58.61 1rqg h LEU 456 Cb 0.30 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1rqg h LEU 456 CO 0.00 0.20 -0.30 0.11 -0.34 0.00 0.00 178.44 178.12 1rqg h LYS 457 N 0.31 0.79 -0.20 1.25 1.57 -1.24 -0.81 116.57 118.23 1rqg h LYS 457 Ca 0.08 -0.36 -0.04 0.00 -1.87 0.00 0.00 60.65 58.46 1rqg h LYS 457 Cb -0.01 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 1rqg h LYS 457 CO -0.02 0.99 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.71 1rqg h ARG 458 N 0.67 0.30 0.01 3.15 1.12 0.13 -1.49 114.38 118.26 1rqg h ARG 458 Ca 0.08 -0.06 -0.00 0.00 -1.11 0.00 0.00 59.98 58.89 1rqg h ARG 458 Cb 0.84 -0.05 0.00 0.00 -0.01 0.00 0.00 29.97 30.75 1rqg h ARG 458 CO 0.07 0.37 -0.00 0.28 -3.11 0.00 0.00 179.97 177.58 1rqg h VAL 459 N 0.29 1.52 -0.75 0.20 2.07 -1.05 -2.97 116.25 115.56 1rqg h VAL 459 Ca 0.06 -1.62 0.10 0.00 0.82 0.00 0.00 66.70 66.06 1rqg h VAL 459 Cb 0.29 2.61 -0.05 0.00 -1.52 0.00 0.00 31.29 32.62 1rqg h VAL 459 CO 0.01 0.42 0.49 0.24 0.02 0.00 0.00 177.57 178.75 1rqg h MET 460 N -0.71 0.62 -0.24 1.57 2.86 -0.92 -0.41 114.93 117.70 1rqg h MET 460 Ca -0.00 -0.04 -0.07 0.00 -2.06 0.00 0.00 59.70 57.53 1rqg h MET 460 Cb 0.69 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.20 1rqg h MET 460 CO 0.00 0.41 -0.17 0.66 1.06 0.00 0.00 176.91 178.88 1rqg h SER 461 N 0.64 0.41 -0.77 1.22 4.64 -1.29 0.23 113.55 118.63 1rqg h SER 461 Ca 0.35 -0.11 -0.03 0.00 -0.47 0.00 0.00 61.79 61.53 1rqg h SER 461 Cb 0.50 -0.11 -0.03 0.00 -0.31 0.00 0.00 62.40 62.45 1rqg h SER 461 CO -0.13 0.60 0.35 0.25 -0.87 0.00 0.00 176.83 177.03 1rqg h LEU 462 N 0.38 1.02 -0.55 5.97 5.85 -0.92 1.03 115.31 128.10 1rqg h LEU 462 Ca 0.07 -0.15 -0.08 0.00 0.84 0.00 0.00 57.88 58.56 1rqg h LEU 462 Cb 0.52 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 1rqg h LEU 462 CO 0.03 0.89 0.04 0.00 -0.34 0.00 0.00 178.44 179.06 1rqg h ALA 463 N 1.18 0.73 -0.77 1.25 0.00 -0.93 0.50 119.26 121.22 1rqg h ALA 463 Ca 0.26 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1rqg h ALA 463 Cb 0.15 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.70 1rqg h ALA 463 CO -0.03 0.52 0.51 0.77 0.00 0.00 0.00 179.25 181.03 1rqg h SER 464 N 0.82 0.88 -0.63 0.00 0.02 0.62 -0.92 113.55 114.33 1rqg h SER 464 Ca 0.16 -0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.01 1rqg h SER 464 Cb 0.49 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.79 1rqg h SER 464 CO 0.02 0.63 0.08 0.15 -1.14 0.00 0.00 176.83 176.58 1rqg h PHE 465 N 1.03 1.12 -0.34 3.45 3.57 0.19 -2.35 116.94 123.62 1rqg h PHE 465 Ca 0.29 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 1rqg h PHE 465 Cb -0.10 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 38.32 1rqg h PHE 465 CO -0.00 0.96 0.18 0.78 -2.23 0.00 0.00 178.31 178.00 1rqg h GLY 466 N 0.96 0.51 0.70 2.40 0.00 0.25 -0.12 103.07 107.77 1rqg h GLY 466 Ca 0.19 -0.24 0.02 0.00 0.00 0.00 0.00 47.33 47.30 1rqg h GLY 466 CO 0.02 0.23 -0.13 3.43 0.00 0.00 0.00 176.54 180.08 1rqg h ASN 467 N 0.42 -0.37 -0.20 0.19 2.35 -1.08 -1.19 115.58 115.70 1rqg h ASN 467 Ca 0.12 0.05 0.05 0.00 -0.55 0.00 0.00 56.30 55.97 1rqg h ASN 467 Cb 0.07 0.15 -0.06 0.00 0.05 0.00 0.00 38.32 38.54 1rqg h ASN 467 CO -0.02 -0.18 -0.17 0.03 -1.65 0.00 0.00 177.43 175.44 1rqg h ARG 468 N -0.22 -0.17 -0.56 0.81 3.08 -1.22 0.25 114.38 116.35 1rqg h ARG 468 Ca 0.04 0.01 0.06 0.00 0.07 0.00 0.00 59.98 60.16 1rqg h ARG 468 Cb 0.27 0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.28 1rqg h ARG 468 CO -0.12 -0.12 -0.47 -0.92 -1.07 0.00 0.00 179.97 177.28 1rqg h TYR 469 N -0.18 -1.47 -0.04 3.04 3.20 -0.55 0.38 116.97 121.36 1rqg h TYR 469 Ca 0.12 0.09 0.03 0.00 3.14 0.00 0.00 58.73 62.11 1rqg h TYR 469 Cb 0.36 0.71 -0.04 0.00 1.54 0.00 0.00 36.73 39.30 1rqg h TYR 469 CO -0.31 -0.35 -0.22 0.74 -1.64 0.00 0.00 178.16 176.37 1rqg h PHE 470 N -0.17 -0.58 -0.93 -3.82 0.04 -0.58 -2.53 116.94 108.37 1rqg h PHE 470 Ca 0.09 0.02 0.22 0.00 2.80 0.00 0.00 57.97 61.10 1rqg h PHE 470 Cb 0.41 0.27 -0.12 0.00 2.20 0.00 0.00 35.95 38.71 1rqg h PHE 470 CO -0.85 -0.31 0.48 -0.44 -0.60 0.00 0.00 178.31 176.59 1rqg h ASP 471 N -0.33 0.50 -2.29 2.17 3.45 0.68 -2.40 116.42 118.21 1rqg h ASP 471 Ca 0.07 0.14 -0.62 0.00 0.43 0.00 0.00 57.03 57.05 1rqg h ASP 471 Cb 0.43 0.07 -0.40 0.00 -0.56 0.00 0.00 39.33 38.87 1rqg h ASP 471 CO -0.23 0.08 -0.41 0.00 -1.57 0.00 0.00 179.24 177.11 1rqg n HIS 472 N -4.95 3.78 -0.52 4.55 1.44 0.01 -4.13 115.22 115.39 1rqg n HIS 472 Ca 0.23 -3.84 0.00 0.00 -2.01 0.00 0.00 57.72 52.10 1rqg n HIS 472 Cb 0.65 -0.60 0.00 0.00 0.12 0.00 0.00 29.99 30.15 1rqg n HIS 472 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 1rqg n LYS 473 N 0.07 0.26 -2.90 -1.40 3.00 -0.97 -4.91 118.16 111.32 1rqg n LYS 473 Ca 0.32 0.00 -0.08 0.00 -0.00 0.00 0.00 58.31 58.55 1rqg n LYS 473 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1rqg n LYS 473 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.40 178.44 1rqg n GLN 474 N 0.00 -0.51 -0.25 1.64 6.02 -0.94 -4.75 117.38 118.59 1rqg n GLN 474 Ca 0.00 0.25 0.11 0.00 -0.01 0.00 0.00 57.00 57.35 1rqg n GLN 474 Cb 0.00 -0.72 0.38 0.00 1.02 0.00 0.00 30.24 30.92 1rqg n GLN 474 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.06 174.70 1rqg h PRO 475 N 0.58 0.67 0.00 -1.09 0.11 -1.95 -1.62 132.00 128.69 1rqg h PRO 475 Ca -0.21 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 65.84 1rqg h PRO 475 Cb 0.46 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.42 1rqg h PRO 475 CO 0.12 0.44 -0.08 0.11 -0.21 0.00 0.00 178.00 178.39 1rqg h TRP 476 N 0.69 0.00 0.00 0.65 0.09 -1.96 -0.98 115.95 114.44 1rqg h TRP 476 Ca 0.43 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.41 1rqg h TRP 476 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.91 1rqg h TRP 476 CO -0.00 0.08 -0.30 1.17 0.09 0.00 0.00 178.44 179.47 1rqg n LYS 477 N -3.44 0.27 -0.14 0.12 0.00 -0.78 -4.30 118.16 109.89 1rqg n LYS 477 Ca -0.02 0.41 0.27 0.00 0.00 0.00 0.00 58.31 58.98 1rqg n LYS 477 Cb 0.22 -1.31 0.57 0.00 0.00 0.00 0.00 35.03 34.51 1rqg n LYS 477 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.40 178.55 1rqg h THR 478 N -0.59 0.13 0.00 3.15 2.02 -1.30 0.80 112.91 117.12 1rqg h THR 478 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 1rqg h THR 478 Cb 0.30 0.23 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1rqg h THR 478 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1rqg h ALA 479 N 0.90 1.00 -0.55 6.16 0.00 -1.36 0.34 119.26 125.75 1rqg h ALA 479 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.33 1rqg h ALA 479 Cb 2.33 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.12 1rqg h ALA 479 CO -0.00 0.00 0.00 1.63 0.00 0.00 0.00 179.25 180.88 1rqg n LYS 480 N -3.00 2.41 0.10 0.00 4.76 0.28 -4.65 118.16 118.06 1rqg n LYS 480 Ca 0.01 -2.18 0.00 0.00 -2.87 0.00 0.00 58.31 53.27 1rqg n LYS 480 Cb 0.34 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 32.04 1rqg n LYS 480 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 1rqg n GLU 481 N 1.30 0.00 -3.88 1.97 -0.58 -1.01 -5.05 120.64 113.39 1rqg n GLU 481 Ca 0.20 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.64 1rqg n GLU 481 Cb 0.53 -0.07 -0.14 0.00 -0.57 0.00 0.00 31.44 31.19 1rqg n GLU 481 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1rqg s ASP 482 N -5.10 4.20 0.07 1.62 3.68 0.08 -5.01 116.67 116.21 1rqg s ASP 482 Ca 0.00 -2.60 -0.18 0.00 2.13 0.00 0.00 52.55 51.90 1rqg s ASP 482 Cb 0.00 -1.40 -0.07 0.00 -1.45 0.00 0.00 42.92 40.00 1rqg s ASP 482 CO 0.00 -0.29 1.30 0.07 0.13 0.00 0.00 175.17 176.38 1rqg h LYS 483 N 6.94 -0.28 -0.98 4.34 5.09 -1.83 -1.43 116.57 128.41 1rqg h LYS 483 Ca -0.06 0.02 0.34 0.00 0.09 0.00 0.00 60.65 61.04 1rqg h LYS 483 Cb 0.94 0.06 -0.16 0.00 0.10 0.00 0.00 32.23 33.17 1rqg h LYS 483 CO 0.58 -0.19 0.44 0.28 -2.09 0.00 0.00 179.45 178.46 1rqg h VAL 484 N -0.30 0.16 1.01 0.07 2.07 -1.95 0.23 116.25 117.55 1rqg h VAL 484 Ca 0.02 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 1rqg h VAL 484 Cb 0.36 -0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.14 1rqg h VAL 484 CO -0.26 0.03 -0.49 -0.09 0.02 0.00 0.00 177.57 176.78 1rqg h ARG 485 N 0.15 -1.31 -0.98 1.57 9.65 -1.64 -2.50 114.38 119.33 1rqg h ARG 485 Ca 0.73 0.09 0.20 0.00 -1.10 0.00 0.00 59.98 59.90 1rqg h ARG 485 Cb 1.73 0.30 -0.11 0.00 -1.39 0.00 0.00 29.97 30.50 1rqg h ARG 485 CO -0.71 -0.87 0.57 1.15 2.80 0.00 0.00 179.97 182.90 1rqg h THR 486 N -1.36 0.67 -0.67 0.20 2.02 -0.51 0.11 112.91 113.36 1rqg h THR 486 Ca -0.14 -0.24 0.10 0.00 0.77 0.00 0.00 66.41 66.90 1rqg h THR 486 Cb 1.04 -0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 67.29 1rqg h THR 486 CO 0.23 0.13 0.28 1.23 0.37 0.00 0.00 175.52 177.76 1rqg h GLY 487 N 0.69 0.97 0.85 2.16 0.00 -0.68 0.23 103.07 107.30 1rqg h GLY 487 Ca 0.58 -0.16 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 1rqg h GLY 487 CO -0.41 -0.00 -0.30 -0.84 0.00 0.00 0.00 176.54 174.99 1rqg h THR 488 N 0.48 0.31 -0.61 4.70 2.02 -0.56 0.16 112.91 119.41 1rqg h THR 488 Ca 0.34 -0.22 0.09 0.00 0.77 0.00 0.00 66.41 67.39 1rqg h THR 488 Cb 0.41 0.38 -0.11 0.00 -1.74 0.00 0.00 68.15 67.09 1rqg h THR 488 CO -0.31 0.03 -0.44 0.74 0.37 0.00 0.00 175.52 175.91 1rqg h THR 489 N -0.99 0.08 0.24 3.16 2.02 -0.97 0.33 112.91 116.78 1rqg h THR 489 Ca -0.09 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.10 1rqg h THR 489 Cb 0.68 0.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.15 1rqg h THR 489 CO 0.14 0.00 -0.30 0.58 0.37 0.00 0.00 175.52 176.31 1rqg h VAL 490 N -0.21 0.37 -0.42 3.16 2.07 -0.46 0.21 116.25 120.97 1rqg h VAL 490 Ca 0.18 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.79 1rqg h VAL 490 Cb 0.56 0.37 -0.08 0.00 -1.52 0.00 0.00 31.29 30.63 1rqg h VAL 490 CO -0.71 0.00 -0.07 -1.13 0.02 0.00 0.00 177.57 175.68 1rqg h ASN 491 N -0.59 -0.32 -0.26 0.57 -0.73 0.12 -1.07 115.58 113.30 1rqg h ASN 491 Ca -0.00 0.12 0.03 0.00 1.87 0.00 0.00 56.30 58.32 1rqg h ASN 491 Cb 0.56 0.23 -0.03 0.00 0.27 0.00 0.00 38.32 39.35 1rqg h ASN 491 CO -0.09 -0.11 0.08 0.40 -0.37 0.00 0.00 177.43 177.33 1rqg h ILE 492 N 0.03 0.92 -0.87 2.57 1.08 -0.04 -1.90 117.51 119.30 1rqg h ILE 492 Ca 0.20 -0.07 0.09 0.00 -0.39 0.00 0.00 64.86 64.70 1rqg h ILE 492 Cb 0.31 0.71 -0.06 0.00 -3.07 0.00 0.00 36.82 34.70 1rqg h ILE 492 CO -0.40 0.03 0.56 0.77 -0.69 0.00 0.00 178.15 178.43 1rqg h SER 493 N 0.19 0.79 0.15 1.72 4.64 0.29 -1.25 113.55 120.08 1rqg h SER 493 Ca 0.12 0.02 -0.17 0.00 -0.47 0.00 0.00 61.79 61.29 1rqg h SER 493 Cb 0.09 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.03 1rqg h SER 493 CO -0.13 0.47 -0.62 -0.07 -0.87 0.00 0.00 176.83 175.61 1rqg h LEU 494 N 0.87 0.52 -0.95 5.97 3.38 -0.75 -2.51 115.31 121.85 1rqg h LEU 494 Ca 0.40 -0.30 0.10 0.00 0.09 0.00 0.00 57.88 58.17 1rqg h LEU 494 Cb 0.38 -0.15 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1rqg h LEU 494 CO -0.16 1.01 0.59 1.56 0.09 0.00 0.00 178.44 181.53 1rqg h GLN 495 N 0.34 0.95 -0.05 1.13 1.08 -0.45 0.27 115.11 118.37 1rqg h GLN 495 Ca -0.01 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 1rqg h GLN 495 Cb 1.17 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.37 1rqg h GLN 495 CO 0.11 0.63 -0.41 0.82 -0.95 0.00 0.00 178.83 179.03 1rqg h ILE 496 N 0.98 1.31 -0.16 2.54 2.04 -1.22 -1.95 117.51 121.04 1rqg h ILE 496 Ca 0.45 -1.47 -0.16 0.00 1.00 0.00 0.00 64.86 64.68 1rqg h ILE 496 Cb 0.38 1.72 0.00 0.00 -0.74 0.00 0.00 36.82 38.19 1rqg h ILE 496 CO -0.24 0.43 -0.51 0.58 0.00 0.00 0.00 178.15 178.41 1rqg h VAL 497 N 0.10 1.33 -0.74 1.67 2.07 -0.12 -1.21 116.25 119.34 1rqg h VAL 497 Ca 0.01 -1.77 -0.02 0.00 0.82 0.00 0.00 66.70 65.74 1rqg h VAL 497 Cb 0.77 1.98 -0.04 0.00 -1.52 0.00 0.00 31.29 32.49 1rqg h VAL 497 CO 0.06 0.55 0.38 0.50 0.02 0.00 0.00 177.57 179.08 1rqg h LYS 498 N 0.31 1.04 -0.31 1.57 3.64 -0.88 -0.48 116.57 121.46 1rqg h LYS 498 Ca -0.02 -0.13 -0.11 0.00 -1.27 0.00 0.00 60.65 59.12 1rqg h LYS 498 Cb 1.14 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 1rqg h LYS 498 CO 0.11 0.78 -0.24 0.00 -2.27 0.00 0.00 179.45 177.82 1rqg h ALA 499 N 1.38 0.44 0.00 5.00 0.00 -1.33 -1.51 119.26 123.25 1rqg h ALA 499 Ca 0.26 -0.38 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 1rqg h ALA 499 Cb 0.06 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.75 1rqg h ALA 499 CO -0.04 0.43 -0.01 1.25 0.00 0.00 0.00 179.25 180.88 1rqg h LEU 500 N 0.46 0.00 -0.34 0.00 5.85 -0.77 -0.67 115.31 119.85 1rqg h LEU 500 Ca 0.06 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.58 1rqg h LEU 500 Cb 0.80 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1rqg h LEU 500 CO 0.06 0.01 -0.71 1.23 -0.34 0.00 0.00 178.44 178.69 1rqg h GLY 501 N 0.85 0.63 0.39 3.75 0.00 -0.03 -2.21 103.07 106.45 1rqg h GLY 501 Ca -0.00 -0.85 -0.20 0.00 0.00 0.00 0.00 47.33 46.27 1rqg h GLY 501 CO 0.00 0.76 -1.03 -2.22 0.00 0.00 0.00 176.54 174.05 1rqg h ILE 502 N 0.40 1.24 -0.81 2.60 2.04 -1.06 -3.29 117.51 118.62 1rqg h ILE 502 Ca -0.03 -2.38 0.09 0.00 1.00 0.00 0.00 64.86 63.54 1rqg h ILE 502 Cb 1.30 2.85 -0.07 0.00 -0.74 0.00 0.00 36.82 40.15 1rqg h ILE 502 CO 0.13 0.63 0.46 -0.07 0.00 0.00 0.00 178.15 179.30 1rqg h LEU 503 N -0.55 0.66 -0.24 1.44 4.07 -1.26 -2.67 115.31 116.76 1rqg h LEU 503 Ca -0.23 0.05 -0.01 0.00 0.08 0.00 0.00 57.88 57.77 1rqg h LEU 503 Cb 1.53 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 43.18 1rqg h LEU 503 CO 0.02 0.38 0.10 -0.07 -1.08 0.00 0.00 178.44 177.79 1rqg h LEU 504 N 0.78 0.32 -0.11 1.67 4.07 -1.55 -3.35 115.31 117.15 1rqg h LEU 504 Ca 0.39 -0.15 0.01 0.00 0.08 0.00 0.00 57.88 58.21 1rqg h LEU 504 Cb 0.35 -0.08 -0.01 0.00 1.08 0.00 0.00 40.66 42.00 1rqg h LEU 504 CO -0.24 0.39 -0.06 1.21 -1.08 0.00 0.00 178.44 178.65 1rqg n GLU 505 N -4.80 -0.05 -0.22 1.13 4.07 -1.01 0.13 120.64 119.89 1rqg n GLU 505 Ca -0.03 0.21 0.29 0.00 -0.06 0.00 0.00 57.16 57.56 1rqg n GLU 505 Cb 0.12 -0.31 0.69 0.00 -0.06 0.00 0.00 31.44 31.89 1rqg n GLU 505 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 1rqg h PRO 506 N 0.00 0.06 0.00 5.31 0.11 -1.75 -2.96 132.00 132.77 1rqg h PRO 506 Ca 0.02 -0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.79 1rqg h PRO 506 Cb 0.04 -0.01 -0.05 0.00 0.11 0.00 0.00 31.00 31.09 1rqg h PRO 506 CO -0.10 0.04 -1.89 1.19 -0.21 0.00 0.00 178.00 177.03 1rqg n PHE 507 N -4.30 0.44 -3.74 0.65 3.01 0.35 -4.12 117.46 109.76 1rqg n PHE 507 Ca 0.20 0.19 -0.29 0.00 1.01 0.00 0.00 57.45 58.56 1rqg n PHE 507 Cb 0.99 -1.01 -0.13 0.00 -0.01 0.00 0.00 39.48 39.32 1rqg n PHE 507 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1rqg s LEU 508 N -7.70 3.03 0.26 4.37 1.43 -0.35 -4.72 118.68 114.99 1rqg s LEU 508 Ca -0.34 -2.81 -0.02 0.00 -1.03 0.00 0.00 54.13 49.94 1rqg s LEU 508 Cb 0.10 -1.14 0.53 0.00 0.03 0.00 0.00 46.19 45.71 1rqg s LEU 508 CO 0.52 -0.24 1.73 -0.65 0.23 0.00 0.00 176.35 177.94 1rqg h PRO 509 N 6.52 0.46 -0.29 1.29 0.11 -1.76 -2.01 132.00 136.32 1rqg h PRO 509 Ca 0.01 -0.03 -0.14 0.00 0.11 0.00 0.00 66.00 65.95 1rqg h PRO 509 Cb 0.91 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.91 1rqg h PRO 509 CO 0.53 0.30 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.80 1rqg h ASP 510 N 0.47 0.83 0.90 -2.05 3.45 -1.94 -1.17 116.42 116.92 1rqg h ASP 510 Ca 0.45 -0.50 0.00 0.00 0.43 0.00 0.00 57.03 57.42 1rqg h ASP 510 Cb 0.72 -0.24 0.00 0.00 -0.56 0.00 0.00 39.33 39.25 1rqg h ASP 510 CO -0.42 1.16 0.00 0.00 -1.57 0.00 0.00 179.24 178.41 1rqg h ALA 511 N 0.69 1.00 0.06 3.45 0.00 -1.93 -0.22 119.26 122.31 1rqg h ALA 511 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.85 1rqg h ALA 511 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.76 1rqg h ALA 511 CO 0.09 0.00 -0.39 1.03 0.00 0.00 0.00 179.25 179.98 1rqg h SER 512 N 0.00 0.24 0.55 0.00 0.87 -0.93 -2.76 113.55 111.52 1rqg h SER 512 Ca 0.00 -0.93 -0.13 0.00 -1.23 0.00 0.00 61.79 59.50 1rqg h SER 512 Cb 0.45 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.32 1rqg h SER 512 CO 0.00 1.16 -0.60 -0.08 -0.53 0.00 0.00 176.83 176.77 1rqg h GLU 513 N -0.63 0.06 -0.10 2.24 4.57 -0.99 -1.98 114.58 117.75 1rqg h GLU 513 Ca -0.06 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1rqg h GLU 513 Cb 1.27 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.86 1rqg h GLU 513 CO 0.07 0.64 0.06 -0.22 -1.18 0.00 0.00 179.01 178.38 1rqg h LYS 514 N 0.04 0.14 -0.61 1.92 3.64 -1.12 -0.97 116.57 119.62 1rqg h LYS 514 Ca -0.01 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1rqg h LYS 514 Cb 1.08 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.84 1rqg h LYS 514 CO 0.08 0.16 0.15 0.82 -2.27 0.00 0.00 179.45 178.39 1rqg h ILE 515 N 0.07 1.24 -0.38 2.00 2.04 -1.33 -1.79 117.51 119.36 1rqg h ILE 515 Ca 0.03 -0.87 -0.05 0.00 1.00 0.00 0.00 64.86 64.98 1rqg h ILE 515 Cb 0.06 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 36.74 1rqg h ILE 515 CO -0.01 0.33 0.04 -0.25 0.00 0.00 0.00 178.15 178.27 1rqg h TRP 516 N 0.90 0.59 -0.06 1.37 -0.00 -0.99 -0.76 115.95 117.01 1rqg h TRP 516 Ca 0.20 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.89 58.86 1rqg h TRP 516 Cb 0.32 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 29.31 1rqg h TRP 516 CO 0.02 0.55 -0.65 0.45 -0.00 0.00 0.00 178.44 178.81 1rqg h HIS 517 N 0.56 0.77 -0.78 2.65 3.86 -0.84 0.64 115.15 122.00 1rqg h HIS 517 Ca 0.12 -0.38 0.06 0.00 -1.16 0.00 0.00 60.37 59.02 1rqg h HIS 517 Cb 0.29 -0.11 -0.06 0.00 1.06 0.00 0.00 27.41 28.60 1rqg h HIS 517 CO 0.01 1.18 0.47 -0.07 0.86 0.00 0.00 177.93 180.38 1rqg h LEU 518 N 0.14 0.72 0.00 2.43 3.38 -1.04 0.68 115.31 121.63 1rqg h LEU 518 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1rqg h LEU 518 Cb 1.31 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1rqg h LEU 518 CO 0.13 0.46 0.00 0.18 0.09 0.00 0.00 178.44 179.30 1rqg n LEU 519 N -4.69 0.00 -3.39 1.67 4.32 -0.32 -1.12 117.00 113.48 1rqg n LEU 519 Ca 0.11 0.44 -0.19 0.00 -0.02 0.00 0.00 56.01 56.36 1rqg n LEU 519 Cb 0.18 -0.44 0.05 0.00 -1.62 0.00 0.00 43.42 41.58 1rqg n LEU 519 CO 0.30 -0.07 0.04 -3.20 -1.22 0.00 0.00 177.39 173.23 1rqg n ASN 520 N -1.44 -6.32 -4.47 -1.43 2.85 0.24 -4.65 115.26 100.03 1rqg n ASN 520 Ca 0.07 -0.72 -0.31 0.00 -0.11 0.00 0.00 54.58 53.51 1rqg n ASN 520 Cb 0.26 -4.45 -0.13 0.00 1.24 0.00 0.00 39.78 36.71 1rqg n ASN 520 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1rqg s LEU 521 N -5.51 2.67 -0.22 1.20 1.43 0.09 -4.99 118.68 113.34 1rqg s LEU 521 Ca 0.37 -0.34 0.09 0.00 -1.03 0.00 0.00 54.13 53.22 1rqg s LEU 521 Cb -0.09 -1.55 -0.20 0.00 0.03 0.00 0.00 46.19 44.39 1rqg s LEU 521 CO 0.79 0.28 -0.09 0.47 0.23 0.00 0.00 176.35 178.03 1rqg n ASP 522 N 1.79 1.26 -1.31 2.29 8.00 -1.26 -4.83 116.55 122.50 1rqg n ASP 522 Ca -0.16 -0.08 -0.18 0.00 0.71 0.00 0.00 54.79 55.08 1rqg n ASP 522 Cb 0.52 0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.80 1rqg n ASP 522 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1rqg n GLU 523 N -3.00 0.00 -1.89 -1.24 1.02 -1.26 -4.75 120.64 109.52 1rqg n GLU 523 Ca -0.39 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.33 1rqg n GLU 523 Cb 1.04 -0.42 -0.03 0.00 -0.02 0.00 0.00 31.44 32.01 1rqg n GLU 523 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1rqg s VAL 524 N 0.59 3.07 0.09 2.62 1.01 -1.26 -4.90 120.40 121.62 1rqg s VAL 524 Ca 0.28 0.42 -0.32 0.00 0.00 0.00 0.00 61.98 62.36 1rqg s VAL 524 Cb -0.40 -3.27 -0.12 0.00 0.00 0.00 0.00 36.38 32.59 1rqg s VAL 524 CO 0.21 -0.01 1.78 0.29 0.00 0.00 0.00 175.10 177.37 1rqg n LYS 525 N 6.07 2.51 -3.87 2.72 5.02 -1.26 -4.99 118.16 124.36 1rqg n LYS 525 Ca 0.17 0.91 -0.09 0.00 -2.02 0.00 0.00 58.31 57.28 1rqg n LYS 525 Cb 0.41 -2.77 -0.08 0.00 -0.02 0.00 0.00 35.03 32.57 1rqg n LYS 525 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 1rqg s ARG 526 N 2.54 0.79 0.29 1.97 1.70 -1.26 -4.81 118.95 120.17 1rqg s ARG 526 Ca 0.83 -0.88 0.25 0.00 -0.47 0.00 0.00 55.73 55.46 1rqg s ARG 526 Cb -0.57 0.32 0.99 0.00 -0.57 0.00 0.00 34.95 35.11 1rqg s ARG 526 CO 0.40 -0.24 1.75 2.35 -1.08 0.00 0.00 175.30 178.49 1rqg h TRP 527 N 2.98 0.00 -3.31 5.89 2.91 -1.34 -3.41 115.95 119.66 1rqg h TRP 527 Ca -0.33 0.00 -0.61 0.00 1.13 0.00 0.00 58.89 59.07 1rqg h TRP 527 Cb 1.19 0.00 -0.12 0.00 -0.51 0.00 0.00 29.16 29.72 1rqg h TRP 527 CO 0.45 0.00 0.52 -1.83 -1.03 0.00 0.00 178.44 176.56 1rqg s GLU 528 N -3.32 3.36 0.35 2.65 1.03 -1.26 -5.02 118.70 116.48 1rqg s GLU 528 Ca 0.05 -0.22 -0.27 0.00 0.03 0.00 0.00 54.97 54.56 1rqg s GLU 528 Cb 0.10 -4.03 -0.09 0.00 -0.80 0.00 0.00 34.13 29.31 1rqg s GLU 528 CO 0.45 -1.40 1.22 0.12 -1.33 0.00 0.00 175.26 174.32 1rqg s PHE 529 N 3.79 3.13 -0.03 4.83 5.36 -1.26 -5.05 117.98 128.75 1rqg s PHE 529 Ca 0.31 1.51 -0.01 0.00 -0.96 0.00 0.00 56.93 57.78 1rqg s PHE 529 Cb -0.12 -3.52 0.03 0.00 -0.34 0.00 0.00 43.02 39.07 1rqg s PHE 529 CO 0.20 -1.47 0.05 1.03 -1.46 0.00 0.00 175.22 173.57 1rqg s ARG 530 N -1.93 -0.04 0.96 10.12 0.52 -1.26 -5.15 118.95 122.17 1rqg s ARG 530 Ca 0.51 0.27 -0.11 0.00 -0.52 0.00 0.00 55.73 55.88 1rqg s ARG 530 Cb -0.35 -0.33 0.15 0.00 0.52 0.00 0.00 34.95 34.94 1rqg s ARG 530 CO 0.46 -0.22 0.98 -0.85 0.02 0.00 0.00 175.30 175.69 1rqg n GLU 531 N 4.56 -0.69 -2.80 3.54 0.28 -1.26 -4.96 120.64 119.30 1rqg n GLU 531 Ca -0.20 -0.15 -0.41 0.00 -0.16 0.00 0.00 57.16 56.24 1rqg n GLU 531 Cb 0.50 -2.25 -0.03 0.00 1.43 0.00 0.00 31.44 31.09 1rqg n GLU 531 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 1rqg s LEU 532 N -5.63 4.33 0.54 -1.84 2.96 -1.26 -5.02 118.68 112.75 1rqg s LEU 532 Ca 0.65 1.50 -0.19 0.00 -0.22 0.00 0.00 54.13 55.87 1rqg s LEU 532 Cb -0.23 -3.43 -0.06 0.00 0.50 0.00 0.00 46.19 42.98 1rqg s LEU 532 CO 0.61 -0.26 1.10 -2.84 -1.32 0.00 0.00 176.35 173.63 1rqg s PRO 533 N 1.17 3.42 0.30 0.98 0.02 -1.26 -5.00 135.00 134.63 1rqg s PRO 533 Ca 0.47 1.49 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 1rqg s PRO 533 Cb -0.20 -2.03 -0.10 0.00 0.02 0.00 0.00 34.50 32.20 1rqg s PRO 533 CO 0.23 -0.77 1.16 0.00 -0.33 0.00 0.00 177.00 177.29 1rqg s ALA 534 N -1.94 3.43 0.00 -1.55 0.00 -1.26 -2.57 121.76 117.87 1rqg s ALA 534 Ca 0.70 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.66 1rqg s ALA 534 Cb -0.21 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1rqg s ALA 534 CO 0.27 -0.30 0.00 0.41 0.00 0.00 0.00 175.76 176.14 1rqg n GLY 535 N 1.07 0.72 3.74 0.00 0.00 0.21 -4.96 105.19 105.97 1rqg n GLY 535 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 1rqg n GLY 535 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1rqg s HIS 536 N -2.42 3.87 -0.41 1.61 5.04 -1.06 -4.75 115.29 117.16 1rqg s HIS 536 Ca 0.00 1.84 -0.20 0.00 -1.54 0.00 0.00 55.06 55.16 1rqg s HIS 536 Cb 0.00 -3.05 0.01 0.00 0.04 0.00 0.00 32.58 29.58 1rqg s HIS 536 CO 0.00 0.20 0.58 -1.59 -2.34 0.00 0.00 174.74 171.59 1rqg s LYS 537 N -0.78 3.37 0.23 2.88 0.00 -1.26 -1.31 119.74 122.87 1rqg s LYS 537 Ca 0.44 -0.34 -0.01 0.00 0.00 0.00 0.00 55.97 56.06 1rqg s LYS 537 Cb -0.26 -3.90 -0.04 0.00 0.00 0.00 0.00 37.83 33.62 1rqg s LYS 537 CO 0.32 -0.87 0.44 0.08 0.00 0.00 0.00 175.35 175.32 1rqg s VAL 538 N 2.60 5.16 0.80 1.79 1.01 0.11 -4.69 120.40 127.18 1rqg s VAL 538 Ca 0.20 -0.31 -0.12 0.00 0.00 0.00 0.00 61.98 61.76 1rqg s VAL 538 Cb -0.15 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.56 1rqg s VAL 538 CO 0.16 -0.24 1.16 -0.13 0.00 0.00 0.00 175.10 176.05 1rqg s ARG 539 N -3.48 2.04 0.34 2.72 0.52 -0.27 -4.74 118.95 116.08 1rqg s ARG 539 Ca 0.39 0.10 -0.27 0.00 -0.52 0.00 0.00 55.73 55.44 1rqg s ARG 539 Cb -0.11 -1.97 -0.09 0.00 0.52 0.00 0.00 34.95 33.30 1rqg s ARG 539 CO 0.30 -1.54 1.15 0.15 0.02 0.00 0.00 175.30 175.38 1rqg s LYS 540 N -5.54 4.35 -0.27 3.54 1.02 -1.26 -4.91 119.74 116.66 1rqg s LYS 540 Ca 0.62 1.85 -0.39 0.00 0.02 0.00 0.00 55.97 58.07 1rqg s LYS 540 Cb -0.11 -2.93 -0.15 0.00 -0.52 0.00 0.00 37.83 34.13 1rqg s LYS 540 CO 0.49 -0.07 1.84 -2.30 -0.92 0.00 0.00 175.35 174.39 1rqg n PRO 541 N 0.61 1.25 -0.10 -1.68 -0.02 -1.26 -4.97 135.00 128.82 1rqg n PRO 541 Ca 0.02 0.44 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 1rqg n PRO 541 Cb 0.45 -2.21 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 1rqg n PRO 541 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1rqg n GLU 542 N 6.02 3.20 -4.51 -0.52 4.07 -1.26 -5.03 120.64 122.60 1rqg n GLU 542 Ca 0.29 0.00 -0.27 0.00 -0.06 0.00 0.00 57.16 57.12 1rqg n GLU 542 Cb 0.16 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.41 1rqg n GLU 542 CO 0.00 0.00 0.00 -1.50 -0.06 0.00 0.00 177.13 175.57 1rqg s ILE 543 N 1.54 1.89 -0.23 6.31 1.10 -1.26 -4.87 121.20 125.68 1rqg s ILE 543 Ca 0.00 -1.46 -0.14 0.00 -0.51 0.00 0.00 60.65 58.54 1rqg s ILE 543 Cb 0.00 -1.67 -0.18 0.00 0.15 0.00 0.00 42.46 40.77 1rqg s ILE 543 CO 0.00 0.12 -0.02 0.18 -2.11 0.00 0.00 174.94 173.12 1rqg n LEU 544 N 1.39 2.17 -3.92 8.50 4.77 -1.26 -5.00 117.00 123.64 1rqg n LEU 544 Ca -0.18 0.29 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1rqg n LEU 544 Cb 0.53 -0.93 -0.13 0.00 -2.33 0.00 0.00 43.42 40.55 1rqg n LEU 544 CO 0.23 0.56 -0.37 -0.36 -1.33 0.00 0.00 177.39 176.12 1rqg s PHE 545 N -2.46 0.16 -0.18 -1.77 0.40 -1.26 -5.04 117.98 107.82 1rqg s PHE 545 Ca -0.32 -0.16 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 1rqg s PHE 545 Cb 0.09 -0.11 -0.05 0.00 0.51 0.00 0.00 43.02 43.47 1rqg s PHE 545 CO 0.59 -0.05 0.11 0.21 0.70 0.00 0.00 175.22 176.78 1rqg s LYS 546 N -0.43 4.02 0.29 0.44 2.47 -1.26 -4.90 119.74 120.37 1rqg s LYS 546 Ca -0.04 -0.25 -0.30 0.00 -1.56 0.00 0.00 55.97 53.82 1rqg s LYS 546 Cb -0.03 -3.32 -0.13 0.00 -1.46 0.00 0.00 37.83 32.90 1rqg s LYS 546 CO -0.00 0.35 1.40 1.63 0.16 0.00 0.00 175.35 178.88 1rqg n LYS 547 N 3.34 2.18 -1.96 4.03 5.02 -1.26 -4.95 118.16 124.57 1rqg n LYS 547 Ca -0.17 0.77 -0.39 0.00 -2.02 0.00 0.00 58.31 56.51 1rqg n LYS 547 Cb 0.52 -2.42 0.01 0.00 -0.02 0.00 0.00 35.03 33.12 1rqg n LYS 547 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1rqg s VAL 548 N -0.44 2.43 0.31 -0.18 1.01 -1.26 -5.02 120.40 117.24 1rqg s VAL 548 Ca 0.63 0.36 0.09 0.00 0.00 0.00 0.00 61.98 63.06 1rqg s VAL 548 Cb -0.59 -3.20 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 1rqg s VAL 548 CO 0.54 0.03 0.05 -0.89 0.00 0.00 0.00 175.10 174.83 1rqg s THR 549 N -1.29 3.13 0.11 3.92 2.01 -1.26 -4.98 115.64 117.28 1rqg s THR 549 Ca 0.62 -1.86 0.09 0.00 0.31 0.00 0.00 61.69 60.85 1rqg s THR 549 Cb -0.39 -2.87 -0.13 0.00 0.01 0.00 0.00 72.50 69.12 1rqg s THR 549 CO 0.48 -0.28 1.37 0.44 -0.69 0.00 0.00 174.62 175.95 1rqg h ASP 550 N 1.76 0.00 -0.53 3.53 3.32 -1.99 -2.49 116.42 120.03 1rqg h ASP 550 Ca -0.44 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1rqg h ASP 550 Cb 1.25 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.77 1rqg h ASP 550 CO 0.63 0.84 0.28 0.44 -1.72 0.00 0.00 179.24 179.71 1rqg h ASP 551 N 0.00 0.69 0.14 6.45 5.19 -1.99 -0.50 116.42 126.41 1rqg h ASP 551 Ca -0.01 -0.06 -0.01 0.00 -0.62 0.00 0.00 57.03 56.34 1rqg h ASP 551 Cb 1.57 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 40.91 1rqg h ASP 551 CO 0.11 0.58 -0.07 1.56 -3.12 0.00 0.00 179.24 178.30 1rqg h GLN 552 N 0.78 -0.19 -0.46 3.56 4.20 -1.91 -1.63 115.11 119.46 1rqg h GLN 552 Ca 0.20 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.99 1rqg h GLN 552 Cb 0.06 0.04 -0.06 0.00 0.30 0.00 0.00 27.48 27.82 1rqg h GLN 552 CO -0.03 0.26 0.13 0.82 -0.67 0.00 0.00 178.83 179.34 1rqg h ILE 553 N -0.78 0.80 -0.01 2.54 2.04 -1.30 0.12 117.51 120.92 1rqg h ILE 553 Ca -0.02 -0.10 -0.00 0.00 1.00 0.00 0.00 64.86 65.74 1rqg h ILE 553 Cb 0.53 0.49 -0.00 0.00 -0.74 0.00 0.00 36.82 37.11 1rqg h ILE 553 CO 0.03 0.05 0.01 0.40 0.00 0.00 0.00 178.15 178.64 1rqg h ILE 554 N 0.29 1.03 -0.76 -0.67 2.04 -1.16 0.12 117.51 118.39 1rqg h ILE 554 Ca 0.22 -0.09 0.13 0.00 1.00 0.00 0.00 64.86 66.12 1rqg h ILE 554 Cb 0.26 1.08 -0.09 0.00 -0.74 0.00 0.00 36.82 37.32 1rqg h ILE 554 CO -0.26 0.03 0.34 0.22 0.00 0.00 0.00 178.15 178.48 1rqg h TYR 555 N -0.02 0.59 0.77 1.37 3.20 -0.68 0.33 116.97 122.53 1rqg h TYR 555 Ca 0.00 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.87 1rqg h TYR 555 Cb 0.04 -0.15 0.01 0.00 1.54 0.00 0.00 36.73 38.17 1rqg h TYR 555 CO -0.07 0.13 -0.37 0.35 -1.64 0.00 0.00 178.16 176.56 1rqg h PHE 556 N 0.52 -0.95 -0.39 -3.82 3.57 -0.11 0.27 116.94 116.03 1rqg h PHE 556 Ca 0.41 -0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.97 1rqg h PHE 556 Cb 0.57 0.32 -0.08 0.00 2.79 0.00 0.00 35.95 39.55 1rqg h PHE 556 CO -0.14 -0.58 -0.13 0.82 -2.23 0.00 0.00 178.31 176.06 1rqg h ILE 557 N -1.13 0.55 -0.22 1.41 2.04 -0.30 0.11 117.51 119.96 1rqg h ILE 557 Ca -0.11 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.74 1rqg h ILE 557 Cb 0.81 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 37.42 1rqg h ILE 557 CO 0.17 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.33 1rqg h LEU 558 N -0.04 0.32 -0.60 1.44 3.38 -0.32 0.32 115.31 119.81 1rqg h LEU 558 Ca 0.19 -0.19 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1rqg h LEU 558 Cb 0.33 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1rqg h LEU 558 CO -0.43 0.43 -0.66 -1.13 0.09 0.00 0.00 178.44 176.74 1rqg h ASN 559 N 0.20 0.21 0.00 -0.43 -1.24 -0.07 -3.35 115.58 110.90 1rqg h ASN 559 Ca 0.07 -0.13 0.00 0.00 0.71 0.00 0.00 56.30 56.95 1rqg h ASN 559 Cb 0.22 -0.06 0.00 0.00 0.73 0.00 0.00 38.32 39.21 1rqg h ASN 559 CO -0.00 0.81 0.00 -1.22 -1.29 0.00 0.00 177.43 175.73 1rqg n TYR 560 N -3.81 0.00 -0.35 0.67 4.01 0.35 -4.82 117.16 113.21 1rqg n TYR 560 Ca -0.02 0.00 -0.09 0.00 -0.16 0.00 0.00 57.90 57.63 1rqg n TYR 560 Cb 0.66 0.00 -0.08 0.00 -0.31 0.00 0.00 39.34 39.60 1rqg n TYR 560 CO 0.00 0.00 0.00 -1.33 -0.46 0.00 0.00 176.86 175.07 1rqg n MET 561 N -2.01 -0.36 0.00 -0.72 2.81 -0.99 -3.66 117.12 112.18 1rqg n MET 561 Ca 0.00 1.28 0.00 0.00 -1.81 0.00 0.00 57.70 57.17 1rqg n MET 561 Cb 0.00 -1.88 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 1rqg n MET 561 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1rqg n ALA 562 N -3.35 0.00 -1.94 3.04 0.00 0.11 -2.65 120.51 115.71 1rqg n ALA 562 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.03 1rqg n ALA 562 Cb 0.22 0.15 -0.03 0.00 0.00 0.00 0.00 19.45 19.78 1rqg n ALA 562 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1rqg s LYS 563 N -0.62 3.56 0.00 0.00 2.20 -1.24 0.50 119.74 124.14 1rqg s LYS 563 Ca 0.00 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.35 1rqg s LYS 563 Cb 0.00 -4.16 0.00 0.00 -1.51 0.00 0.00 37.83 32.16 1rqg s LYS 563 CO 0.00 -1.59 0.00 0.41 -0.36 0.00 0.00 175.35 173.81 1rqg n GLY 564 N 5.10 1.73 2.69 5.54 0.00 -1.25 -4.89 105.19 114.11 1rqg n GLY 564 Ca 0.22 -0.09 -0.05 0.00 0.00 0.00 0.00 46.02 46.10 1rqg n GLY 564 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1rqg n ASN 565 N 0.00 -1.89 -0.28 1.61 2.85 0.18 -4.61 115.26 113.13 1rqg n ASN 565 Ca 0.00 -2.13 0.09 0.00 -0.11 0.00 0.00 54.58 52.43 1rqg n ASN 565 Cb 0.00 1.08 0.33 0.00 1.24 0.00 0.00 39.78 42.43 1rqg n ASN 565 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1rqg h PRO 566 N 3.65 0.77 -0.24 1.20 0.11 -0.20 -2.03 132.00 135.26 1rqg h PRO 566 Ca -0.16 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 1rqg h PRO 566 Cb 1.15 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.08 1rqg h PRO 566 CO -0.03 0.51 -0.02 1.49 -0.21 0.00 0.00 178.00 179.74 1rqg h GLU 567 N 0.80 0.44 -0.62 1.05 4.57 -1.85 0.13 114.58 119.10 1rqg h GLU 567 Ca 0.43 -0.15 0.10 0.00 -1.18 0.00 0.00 59.36 58.56 1rqg h GLU 567 Cb 0.54 -0.04 -0.07 0.00 -0.16 0.00 0.00 28.75 29.02 1rqg h GLU 567 CO -0.19 0.63 0.23 0.78 -1.18 0.00 0.00 179.01 179.28 1rqg h GLY 568 N 0.20 0.86 0.91 1.92 0.00 -1.78 0.88 103.07 106.07 1rqg h GLY 568 Ca 0.07 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.24 1rqg h GLY 568 CO 0.02 -0.03 -0.33 0.00 0.00 0.00 0.00 176.54 176.20 1rqg h ALA 569 N 1.43 -0.92 -0.62 3.60 0.00 -1.12 -2.15 119.26 119.47 1rqg h ALA 569 Ca 0.31 -0.22 0.12 0.00 0.00 0.00 0.00 54.91 55.13 1rqg h ALA 569 Cb 0.39 0.36 -0.12 0.00 0.00 0.00 0.00 17.79 18.42 1rqg h ALA 569 CO -0.31 -0.97 -0.23 -0.09 0.00 0.00 0.00 179.25 177.65 1rqg h ARG 570 N -1.03 -0.07 -0.62 0.00 2.43 -0.24 0.37 114.38 115.22 1rqg h ARG 570 Ca -0.09 0.00 0.05 0.00 -0.81 0.00 0.00 59.98 59.13 1rqg h ARG 570 Cb 0.73 0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 30.26 1rqg h ARG 570 CO 0.15 -0.05 0.41 0.82 -1.51 0.00 0.00 179.97 179.80 1rqg h ILE 571 N -0.07 1.05 -0.05 1.20 2.04 -0.76 -2.27 117.51 118.64 1rqg h ILE 571 Ca 0.28 -0.23 -0.09 0.00 1.00 0.00 0.00 64.86 65.82 1rqg h ILE 571 Cb 0.51 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1rqg h ILE 571 CO -0.67 0.12 -0.31 -0.07 0.00 0.00 0.00 178.15 177.22 1rqg h LEU 572 N 0.68 0.37 0.06 1.44 3.38 0.24 -3.30 115.31 118.19 1rqg h LEU 572 Ca 0.26 -0.67 -0.00 0.00 0.09 0.00 0.00 57.88 57.56 1rqg h LEU 572 Cb 0.17 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 1rqg h LEU 572 CO -0.07 0.98 -0.06 -0.07 0.09 0.00 0.00 178.44 179.30 1rqg h LEU 573 N -0.21 -0.16 -2.17 1.67 3.38 -0.13 -2.52 115.31 115.17 1rqg h LEU 573 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1rqg h LEU 573 Cb 0.98 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1rqg h LEU 573 CO 0.06 -0.08 0.00 -0.90 0.09 0.00 0.00 178.44 177.62 1rqg n ASP 574 N -2.61 2.33 0.00 -0.43 5.68 -0.89 0.11 116.55 120.74 1rqg n ASP 574 Ca -0.01 -1.48 0.00 0.00 -0.50 0.00 0.00 54.79 52.79 1rqg n ASP 574 Cb 0.05 -0.41 0.00 0.00 -1.14 0.00 0.00 41.12 39.62 1rqg n ASP 574 CO 0.00 0.00 0.00 1.17 -1.33 0.00 0.00 177.20 177.04 1rqg n LYS 575 N 0.78 1.87 -0.01 0.11 0.00 -0.98 -4.73 118.16 115.20 1rqg n LYS 575 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.31 1rqg n LYS 575 Cb 0.35 -0.96 -0.01 0.00 0.00 0.00 0.00 35.03 34.41 1rqg n LYS 575 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 1rqg n TYR 576 N -1.60 0.00 -4.13 5.64 0.53 -0.26 -5.09 117.16 112.25 1rqg n TYR 576 Ca 0.00 0.00 -0.12 0.00 -1.02 0.00 0.00 57.90 56.76 1rqg n TYR 576 Cb 0.20 -0.06 -0.11 0.00 -1.03 0.00 0.00 39.34 38.35 1rqg n TYR 576 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 1rqg s TYR 577 N -2.05 0.85 0.30 -0.72 2.02 0.29 -5.10 117.35 112.94 1rqg s TYR 577 Ca -0.01 -0.72 -0.28 0.00 -0.37 0.00 0.00 57.07 55.69 1rqg s TYR 577 Cb 0.01 -0.49 -0.09 0.00 -0.40 0.00 0.00 41.96 40.98 1rqg s TYR 577 CO 0.06 -0.10 0.98 0.15 -1.57 0.00 0.00 175.55 175.07 1rqg s LYS 578 N -2.86 4.64 0.55 -0.62 1.02 -1.26 -3.78 119.74 117.43 1rqg s LYS 578 Ca 0.03 1.48 0.28 0.00 0.02 0.00 0.00 55.97 57.78 1rqg s LYS 578 Cb -0.01 -3.00 1.62 0.00 -0.52 0.00 0.00 37.83 35.92 1rqg s LYS 578 CO -0.02 0.30 2.17 0.00 -0.92 0.00 0.00 175.35 176.88 1rqg h ARG 579 N 3.53 0.00 0.00 1.68 3.08 -1.97 -0.57 114.38 120.12 1rqg h ARG 579 Ca -0.46 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 59.56 1rqg h ARG 579 Cb 1.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.25 1rqg h ARG 579 CO 0.66 0.06 -0.15 0.93 -1.07 0.00 0.00 179.97 180.40 1rqg h GLU 580 N 0.00 0.00 0.12 0.04 5.08 -2.00 -2.27 114.58 115.54 1rqg h GLU 580 Ca -0.00 0.00 -0.27 0.00 -1.00 0.00 0.00 59.36 58.09 1rqg h GLU 580 Cb 0.16 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 1rqg h GLU 580 CO 0.01 0.15 -1.35 -0.44 -1.00 0.00 0.00 179.01 176.38 1rqg h ASP 581 N 0.00 0.40 -0.82 1.42 3.32 -1.51 -3.23 116.42 116.00 1rqg h ASP 581 Ca -0.00 -0.86 0.00 0.00 0.02 0.00 0.00 57.03 56.19 1rqg h ASP 581 Cb 0.70 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.08 1rqg h ASP 581 CO 0.02 1.60 0.52 0.58 -1.72 0.00 0.00 179.24 180.23 1rqg h VAL 582 N -0.31 1.22 0.16 -1.35 2.07 -1.40 -1.72 116.25 114.93 1rqg h VAL 582 Ca -0.29 -0.45 0.01 0.00 0.82 0.00 0.00 66.70 66.79 1rqg h VAL 582 Cb 1.75 0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.54 1rqg h VAL 582 CO 0.07 0.22 -0.21 0.40 0.02 0.00 0.00 177.57 178.07 1rqg h ILE 583 N 1.12 0.52 -0.45 4.57 2.04 -1.55 0.40 117.51 124.16 1rqg h ILE 583 Ca 0.30 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.25 1rqg h ILE 583 Cb -0.08 0.52 -0.09 0.00 -0.74 0.00 0.00 36.82 36.43 1rqg h ILE 583 CO -0.06 0.00 -0.16 -0.09 0.00 0.00 0.00 178.15 177.84 1rqg h ARG 584 N -0.43 -0.06 -0.60 2.37 2.43 -1.47 1.39 114.38 118.02 1rqg h ARG 584 Ca 0.01 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 1rqg h ARG 584 Cb 0.43 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.96 1rqg h ARG 584 CO -0.09 -0.04 0.35 0.28 -1.51 0.00 0.00 179.97 178.96 1rqg h VAL 585 N -0.06 1.18 -0.61 0.20 2.07 -0.91 0.23 116.25 118.35 1rqg h VAL 585 Ca 0.22 -0.43 -0.08 0.00 0.82 0.00 0.00 66.70 67.23 1rqg h VAL 585 Cb 0.39 0.38 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 1rqg h VAL 585 CO -0.49 0.19 0.06 0.00 0.02 0.00 0.00 177.57 177.35 1rqg h ALA 586 N 1.17 0.82 -0.27 1.67 0.00 0.18 -2.49 119.26 120.35 1rqg h ALA 586 Ca 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 1rqg h ALA 586 Cb 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1rqg h ALA 586 CO -0.04 0.61 0.02 0.87 0.00 0.00 0.00 179.25 180.72 1rqg h LYS 587 N 0.95 0.46 -0.99 0.00 1.79 0.22 -0.40 116.57 118.60 1rqg h LYS 587 Ca 0.18 -0.13 -0.25 0.00 -2.18 0.00 0.00 60.65 58.27 1rqg h LYS 587 Cb 0.48 -0.05 -0.15 0.00 -1.58 0.00 0.00 32.23 30.94 1rqg h LYS 587 CO 0.02 0.60 0.32 -0.85 -1.08 0.00 0.00 179.45 178.45 1rqg n GLU 588 N -4.64 1.72 0.00 3.15 0.28 0.03 -3.34 120.64 117.85 1rqg n GLU 588 Ca -0.03 -1.55 0.00 0.00 -0.16 0.00 0.00 57.16 55.42 1rqg n GLU 588 Cb 0.23 -1.62 0.00 0.00 1.43 0.00 0.00 31.44 31.47 1rqg n GLU 588 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1rqg n LYS 589 N -0.30 0.32 -0.11 3.44 3.00 -0.94 -4.88 118.16 118.68 1rqg n LYS 589 Ca 0.30 0.00 0.06 0.00 -0.00 0.00 0.00 58.31 58.66 1rqg n LYS 589 Cb 1.08 -0.51 0.11 0.00 0.00 0.00 0.00 35.03 35.71 1rqg n LYS 589 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 1rqg n PHE 590 N -0.51 0.20 0.00 5.64 3.72 -0.18 -5.04 117.46 121.28 1rqg n PHE 590 Ca 0.00 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.67 1rqg n PHE 590 Cb 0.01 -0.12 0.00 0.00 -0.94 0.00 0.00 39.48 38.43 1rqg n PHE 590 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rqg n GLY 591 N -0.69 1.95 1.19 1.37 0.00 -1.21 -0.74 105.19 107.05 1rqg n GLY 591 Ca 0.10 0.38 -0.01 0.00 0.00 0.00 0.00 46.02 46.49 1rqg n GLY 591 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rqg n ASP 592 N 2.36 3.74 0.00 1.61 5.75 -1.26 -3.23 116.55 125.52 1rqg n ASP 592 Ca 0.00 -2.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.60 1rqg n ASP 592 Cb 0.00 -0.69 0.00 0.00 -1.03 0.00 0.00 41.12 39.40 1rqg n ASP 592 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1rqg n GLU 593 N 0.72 0.00 -0.33 0.11 1.02 0.08 -4.89 120.64 117.35 1rqg n GLU 593 Ca 0.02 0.00 0.05 0.00 -0.02 0.00 0.00 57.16 57.22 1rqg n GLU 593 Cb 0.54 -0.14 0.21 0.00 -0.02 0.00 0.00 31.44 32.03 1rqg n GLU 593 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rqg h ALA 594 N 0.00 1.37 -0.19 0.62 0.00 -1.49 -0.93 119.26 118.64 1rqg h ALA 594 Ca 0.00 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1rqg h ALA 594 Cb 0.28 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1rqg h ALA 594 CO 0.00 0.17 0.07 1.49 0.00 0.00 0.00 179.25 180.98 1rqg h GLU 595 N 0.90 0.26 -1.65 0.00 4.57 -1.90 -2.55 114.58 114.21 1rqg h GLU 595 Ca 0.46 -0.03 -0.49 0.00 -1.18 0.00 0.00 59.36 58.12 1rqg h GLU 595 Cb 0.45 -0.05 -0.19 0.00 -0.16 0.00 0.00 28.75 28.79 1rqg h GLU 595 CO -0.26 0.23 0.55 0.28 -1.18 0.00 0.00 179.01 178.62 1rqg n VAL 596 N -4.45 3.19 0.12 0.32 0.31 -0.35 -3.43 118.33 114.04 1rqg n VAL 596 Ca -0.00 -2.60 0.00 0.00 -0.01 0.00 0.00 64.34 61.73 1rqg n VAL 596 Cb 0.12 -1.39 0.00 0.00 -0.91 0.00 0.00 33.84 31.66 1rqg n VAL 596 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1rqg n VAL 597 N 0.23 0.00 -0.34 2.52 0.31 -0.98 -4.72 118.33 115.35 1rqg n VAL 597 Ca 0.44 0.00 0.20 0.00 -0.01 0.00 0.00 64.34 64.98 1rqg n VAL 597 Cb 0.55 -0.26 0.43 0.00 -0.91 0.00 0.00 33.84 33.65 1rqg n VAL 597 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1rqg h LEU 598 N 0.00 0.60 -0.62 7.52 3.38 -1.62 1.91 115.31 126.49 1rqg h LEU 598 Ca 0.00 0.16 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 1rqg h LEU 598 Cb 0.00 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1rqg h LEU 598 CO 0.00 0.01 -0.43 0.03 0.09 0.00 0.00 178.44 178.14 1rqg h ARG 599 N 0.47 0.00 0.00 1.13 3.08 -1.75 0.15 114.38 117.45 1rqg h ARG 599 Ca 0.68 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.68 1rqg h ARG 599 Cb 1.43 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1rqg h ARG 599 CO -0.52 0.43 -0.25 -0.09 -1.07 0.00 0.00 179.97 178.46 1rqg h ARG 600 N 0.00 0.00 0.00 0.04 2.43 0.26 -3.32 114.38 113.79 1rqg h ARG 600 Ca -0.00 0.00 -0.25 0.00 -0.81 0.00 0.00 59.98 58.91 1rqg h ARG 600 Cb 1.07 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1rqg h ARG 600 CO 0.06 0.25 -1.84 0.28 -1.51 0.00 0.00 179.97 177.21 1rqg n VAL 601 N -3.27 1.52 -2.80 0.20 0.31 0.12 -4.69 118.33 109.72 1rqg n VAL 601 Ca 0.01 -0.15 -0.43 0.00 -0.01 0.00 0.00 64.34 63.77 1rqg n VAL 601 Cb 0.53 -2.10 -0.03 0.00 -0.91 0.00 0.00 33.84 31.33 1rqg n VAL 601 CO 0.00 0.00 0.00 -0.31 -1.32 0.00 0.00 176.83 175.20 1rqg s TYR 602 N -2.69 2.81 0.00 3.52 1.51 0.49 -4.68 117.35 118.31 1rqg s TYR 602 Ca -0.34 -0.94 0.00 0.00 -1.01 0.00 0.00 57.07 54.78 1rqg s TYR 602 Cb 0.10 -4.40 0.00 0.00 -0.11 0.00 0.00 41.96 37.55 1rqg s TYR 602 CO 0.46 -1.67 0.05 1.17 -1.11 0.00 0.00 175.55 174.44 1rqg n LYS 603 N 7.58 0.00 -5.00 -0.62 4.81 -1.25 -4.00 118.16 119.69 1rqg n LYS 603 Ca 0.17 0.05 -0.32 0.00 -0.87 0.00 0.00 58.31 57.33 1rqg n LYS 603 Cb 0.48 -0.08 -0.15 0.00 0.02 0.00 0.00 35.03 35.31 1rqg n LYS 603 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 1rqg s ASP 604 N -1.72 3.59 0.00 3.14 -1.08 -1.26 -4.68 116.67 114.66 1rqg s ASP 604 Ca 0.00 -0.41 0.00 0.00 -0.52 0.00 0.00 52.55 51.62 1rqg s ASP 604 Cb 0.00 -1.33 0.00 0.00 -1.46 0.00 0.00 42.92 40.13 1rqg s ASP 604 CO 0.00 0.20 0.00 -0.38 0.52 0.00 0.00 175.17 175.51 1rqg n ILE 605 N 3.27 0.00 -0.46 4.11 -0.00 -1.26 -5.09 119.36 119.93 1rqg n ILE 605 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.57 1rqg n ILE 605 Cb 0.53 0.86 0.00 0.00 -0.00 0.00 0.00 39.64 41.03 1rqg n ILE 605 CO 0.00 0.00 0.00 2.29 -0.00 0.00 0.00 176.55 178.84