#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqy s THR 15 N 0.00 1.81 -1.92 1.69 -4.23 -1.26 -4.10 115.64 107.63 3gqy s THR 15 Ca 0.00 -2.21 0.00 0.00 -1.18 0.00 0.00 61.69 58.30 3gqy s THR 15 Cb 0.00 -2.21 0.00 0.00 1.34 0.00 0.00 72.50 71.63 3gqy s THR 15 CO 0.00 -0.47 0.00 1.67 -0.54 0.00 0.00 174.62 175.28 3gqy n GLN 16 N -0.48 -1.54 -3.63 3.99 7.27 0.11 -1.72 117.38 121.37 3gqy n GLN 16 Ca -0.07 1.08 -0.27 0.00 0.07 0.00 0.00 57.00 57.81 3gqy n GLN 16 Cb 0.61 -5.61 0.01 0.00 2.41 0.00 0.00 30.24 27.67 3gqy n GLN 16 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 3gqy n GLN 17 N -2.74 -4.45 0.19 3.69 1.13 -1.26 -4.74 117.38 109.19 3gqy n GLN 17 Ca -0.23 0.57 0.03 0.00 -1.94 0.00 0.00 57.00 55.44 3gqy n GLN 17 Cb 0.68 -5.38 0.36 0.00 0.11 0.00 0.00 30.24 26.02 3gqy n GLN 17 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 3gqy h LEU 18 N -1.54 0.00 -0.20 1.08 3.38 -1.66 -0.50 115.31 115.87 3gqy h LEU 18 Ca -0.52 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.42 3gqy h LEU 18 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3gqy h LEU 18 CO 0.62 0.38 -0.01 -0.74 0.09 0.00 0.00 178.44 178.78 3gqy h HIS 19 N 0.00 0.40 -0.16 1.13 2.76 -1.90 -2.63 115.15 114.76 3gqy h HIS 19 Ca -0.00 -0.07 -0.04 0.00 -2.20 0.00 0.00 60.37 58.05 3gqy h HIS 19 Cb 0.72 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 3gqy h HIS 19 CO 0.00 0.57 -0.09 0.00 -1.30 0.00 0.00 177.93 177.11 3gqy h ALA 20 N 0.77 1.56 -0.54 5.26 0.00 -1.71 -2.78 119.26 121.83 3gqy h ALA 20 Ca 0.06 -0.17 0.05 0.00 0.00 0.00 0.00 54.91 54.84 3gqy h ALA 20 Cb 0.42 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3gqy h ALA 20 CO 0.01 0.32 0.36 0.00 0.00 0.00 0.00 179.25 179.94 3gqy h ALA 21 N 1.69 1.82 -0.14 0.00 0.00 -0.73 -2.63 119.26 119.27 3gqy h ALA 21 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3gqy h ALA 21 Cb 0.31 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gqy h ALA 21 CO 0.02 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.36 3gqy n MET 22 N -4.47 1.62 -2.35 0.00 0.00 -1.05 -4.71 117.12 106.17 3gqy n MET 22 Ca 0.07 -0.94 -0.38 0.00 0.00 0.00 0.00 57.70 56.45 3gqy n MET 22 Cb 0.21 -1.38 -0.03 0.00 0.00 0.00 0.00 33.22 32.03 3gqy n MET 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3gqy s ALA 23 N -1.82 3.20 -0.63 3.17 0.00 -0.99 -4.95 121.76 119.73 3gqy s ALA 23 Ca 0.31 0.93 0.25 0.00 0.00 0.00 0.00 51.96 53.45 3gqy s ALA 23 Cb 0.17 -3.36 0.64 0.00 0.00 0.00 0.00 23.12 20.56 3gqy s ALA 23 CO 0.25 -0.43 1.71 -0.44 0.00 0.00 0.00 175.76 176.85 3gqy h ASP 24 N 2.82 0.00 -3.90 0.00 3.32 -1.91 -3.46 116.42 113.28 3gqy h ASP 24 Ca -0.48 -0.00 -0.35 0.00 0.02 0.00 0.00 57.03 56.22 3gqy h ASP 24 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3gqy h ASP 24 CO 0.63 0.00 -0.72 0.42 -1.72 0.00 0.00 179.24 177.85 3gqy s THR 25 N -3.14 1.24 0.22 0.35 -4.23 -1.26 -5.05 115.64 103.77 3gqy s THR 25 Ca 0.09 -2.03 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3gqy s THR 25 Cb 0.10 -1.82 0.04 0.00 1.34 0.00 0.00 72.50 72.16 3gqy s THR 25 CO 0.62 -0.69 1.64 0.15 -0.54 0.00 0.00 174.62 175.80 3gqy h PHE 26 N 2.85 0.85 -0.06 3.99 3.04 -1.99 -1.67 116.94 123.95 3gqy h PHE 26 Ca -0.37 -0.19 0.02 0.00 3.98 0.00 0.00 57.97 61.41 3gqy h PHE 26 Cb 1.19 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 39.48 3gqy h PHE 26 CO 0.66 0.90 -0.05 1.25 -2.02 0.00 0.00 178.31 179.04 3gqy h LEU 27 N 0.66 -0.16 -1.29 0.59 5.85 -1.99 0.04 115.31 119.01 3gqy h LEU 27 Ca 0.09 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 3gqy h LEU 27 Cb 0.71 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3gqy h LEU 27 CO 0.05 -0.07 0.12 -0.08 -0.34 0.00 0.00 178.44 178.12 3gqy h GLU 28 N -0.06 0.60 0.03 1.25 4.57 -1.96 -1.11 114.58 117.90 3gqy h GLU 28 Ca 0.04 -0.10 0.02 0.00 -1.18 0.00 0.00 59.36 58.15 3gqy h GLU 28 Cb 0.12 -0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 3gqy h GLU 28 CO -0.10 0.54 -0.19 1.25 -1.18 0.00 0.00 179.01 179.33 3gqy h HIS 29 N 0.59 -0.50 -0.36 0.92 2.76 -0.67 -1.95 115.15 115.95 3gqy h HIS 29 Ca 0.14 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.38 3gqy h HIS 29 Cb 0.20 0.22 -0.05 0.00 1.55 0.00 0.00 27.41 29.33 3gqy h HIS 29 CO 0.01 -0.28 0.04 0.52 -1.30 0.00 0.00 177.93 176.93 3gqy h MET 30 N -0.33 0.15 -0.01 5.26 2.86 -0.57 -2.21 114.93 120.08 3gqy h MET 30 Ca 0.05 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 3gqy h MET 30 Cb 0.39 -0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 3gqy h MET 30 CO -0.16 0.10 0.01 0.00 1.06 0.00 0.00 176.91 177.93 3gqy n ARG 32 N -3.92 1.32 -1.72 0.00 1.74 -0.76 -4.94 116.66 108.39 3gqy n ARG 32 Ca -0.03 -0.95 -0.42 0.00 -0.77 0.00 0.00 57.85 55.68 3gqy n ARG 32 Cb 0.10 -1.48 -0.03 0.00 -1.02 0.00 0.00 32.46 30.03 3gqy n ARG 32 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3gqy n LEU 33 N -0.01 3.99 -3.81 0.55 4.77 -0.66 -4.42 117.00 117.41 3gqy n LEU 33 Ca 0.13 1.08 -0.29 0.00 -0.03 0.00 0.00 56.01 56.90 3gqy n LEU 33 Cb 0.43 -1.56 -0.16 0.00 -2.33 0.00 0.00 43.42 39.79 3gqy n LEU 33 CO 0.23 0.12 -0.39 -0.62 -1.33 0.00 0.00 177.39 175.41 3gqy s ASP 34 N 0.99 3.25 0.29 -1.43 3.68 -1.26 -4.99 116.67 117.19 3gqy s ASP 34 Ca 0.73 -0.95 0.22 0.00 2.13 0.00 0.00 52.55 54.67 3gqy s ASP 34 Cb -0.52 -0.81 1.07 0.00 -1.45 0.00 0.00 42.92 41.21 3gqy s ASP 34 CO 0.37 -0.28 1.66 2.30 0.13 0.00 0.00 175.17 179.35 3gqy n ILE 35 N 4.91 0.99 -0.09 4.11 -5.35 -1.26 -1.47 119.36 121.20 3gqy n ILE 35 Ca -0.10 0.54 0.11 0.00 -0.27 0.00 0.00 62.75 63.03 3gqy n ILE 35 Cb 0.46 -1.52 0.26 0.00 -1.74 0.00 0.00 39.64 37.10 3gqy n ILE 35 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 3gqy n ASP 36 N -2.23 3.62 -4.34 7.28 10.43 -1.26 -4.79 116.55 125.26 3gqy n ASP 36 Ca -0.00 -1.98 -0.45 0.00 2.57 0.00 0.00 54.79 54.92 3gqy n ASP 36 Cb 0.11 -0.36 -0.05 0.00 1.84 0.00 0.00 41.12 42.66 3gqy n ASP 36 CO 0.00 0.00 0.00 -0.55 -1.07 0.00 0.00 177.20 175.58 3gqy s SER 37 N -1.17 6.23 0.32 -2.24 0.15 -0.54 -4.96 113.70 111.49 3gqy s SER 37 Ca 0.42 -1.69 -0.28 0.00 0.70 0.00 0.00 55.95 55.09 3gqy s SER 37 Cb 0.23 -2.25 -0.10 0.00 -1.71 0.00 0.00 66.02 62.18 3gqy s SER 37 CO 0.30 -0.96 1.19 -2.16 1.20 0.00 0.00 173.24 172.82 3gqy s PRO 38 N 2.02 4.42 0.64 5.44 0.04 -1.26 -4.27 135.00 142.03 3gqy s PRO 38 Ca 0.08 1.97 -0.14 0.00 0.04 0.00 0.00 61.00 62.96 3gqy s PRO 38 Cb -0.26 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.22 3gqy s PRO 38 CO 0.03 -0.04 1.06 -2.14 0.04 0.00 0.00 177.00 175.95 3gqy s PRO 39 N -1.75 3.16 1.36 0.56 0.02 -1.26 -0.71 135.00 136.38 3gqy s PRO 39 Ca 0.49 1.10 -0.20 0.00 0.02 0.00 0.00 61.00 62.41 3gqy s PRO 39 Cb -0.35 -2.02 0.35 0.00 0.02 0.00 0.00 34.50 32.51 3gqy s PRO 39 CO 0.45 -0.93 0.95 0.96 -0.33 0.00 0.00 177.00 178.10 3gqy s ILE 40 N -2.71 1.46 0.16 2.83 -4.36 -1.26 -4.84 121.20 112.48 3gqy s ILE 40 Ca 0.61 0.00 -0.07 0.00 -0.26 0.00 0.00 60.65 60.93 3gqy s ILE 40 Cb -0.15 -2.03 -0.08 0.00 1.25 0.00 0.00 42.46 41.45 3gqy s ILE 40 CO 0.44 0.00 1.44 0.74 0.24 0.00 0.00 174.94 177.81 3gqy h THR 41 N -3.24 1.30 -3.86 8.37 2.02 -1.92 -3.46 112.91 112.12 3gqy h THR 41 Ca -0.50 -1.82 -0.53 0.00 0.77 0.00 0.00 66.41 64.32 3gqy h THR 41 Cb 1.34 1.77 0.09 0.00 -1.74 0.00 0.00 68.15 69.61 3gqy h THR 41 CO 0.36 0.58 0.73 0.00 0.37 0.00 0.00 175.52 177.56 3gqy s ALA 42 N -3.98 3.56 -0.17 6.16 0.00 -1.26 -5.02 121.76 121.05 3gqy s ALA 42 Ca -0.09 1.45 -0.00 0.00 0.00 0.00 0.00 51.96 53.32 3gqy s ALA 42 Cb 0.11 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.70 3gqy s ALA 42 CO 0.87 -0.89 -0.07 0.50 0.00 0.00 0.00 175.76 176.17 3gqy s ARG 43 N -1.81 1.63 0.16 0.00 3.00 -1.26 -4.87 118.95 115.80 3gqy s ARG 43 Ca 0.52 -0.57 0.12 0.00 -1.00 0.00 0.00 55.73 54.79 3gqy s ARG 43 Cb -0.44 -2.08 -0.10 0.00 0.00 0.00 0.00 34.95 32.34 3gqy s ARG 43 CO 0.58 -0.41 1.24 -0.91 0.00 0.00 0.00 175.30 175.80 3gqy h ASN 44 N 8.09 0.00 -3.32 -2.12 2.35 -1.92 -3.47 115.58 115.19 3gqy h ASN 44 Ca -0.26 0.00 -0.58 0.00 -0.55 0.00 0.00 56.30 54.91 3gqy h ASN 44 Cb 1.11 0.00 -0.07 0.00 0.05 0.00 0.00 38.32 39.41 3gqy h ASN 44 CO 0.43 0.76 0.34 -0.89 -1.65 0.00 0.00 177.43 176.42 3gqy s THR 45 N -2.82 4.91 0.34 2.81 2.01 -1.26 -1.38 115.64 120.24 3gqy s THR 45 Ca 0.01 1.60 -0.28 0.00 0.31 0.00 0.00 61.69 63.33 3gqy s THR 45 Cb 0.09 -4.12 -0.10 0.00 0.01 0.00 0.00 72.50 68.38 3gqy s THR 45 CO 0.79 0.06 1.25 -0.83 -0.69 0.00 0.00 174.62 175.20 3gqy s GLY 46 N 1.11 2.99 -0.22 4.40 0.00 -0.80 -4.87 107.32 109.93 3gqy s GLY 46 Ca 0.38 1.16 -0.03 0.00 0.00 0.00 0.00 44.72 46.23 3gqy s GLY 46 CO 0.13 1.77 -0.06 -0.42 0.00 0.00 0.00 173.10 174.53 3gqy s ILE 47 N -1.19 3.14 -0.25 0.90 1.01 -1.26 -1.37 121.20 122.19 3gqy s ILE 47 Ca 0.50 -0.65 -0.08 0.00 0.00 0.00 0.00 60.65 60.42 3gqy s ILE 47 Cb -0.37 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 39.61 3gqy s ILE 47 CO 0.49 0.39 0.09 -0.63 0.00 0.00 0.00 174.94 175.27 3gqy s ILE 48 N 1.43 4.49 -0.14 2.92 1.01 -0.57 -1.11 121.20 129.23 3gqy s ILE 48 Ca 0.05 -0.11 -0.00 0.00 0.00 0.00 0.00 60.65 60.58 3gqy s ILE 48 Cb -0.15 -3.10 -0.01 0.00 0.01 0.00 0.00 42.46 39.21 3gqy s ILE 48 CO -0.05 0.33 -0.13 0.00 0.00 0.00 0.00 174.94 175.10 3gqy s THR 50 N 0.49 4.53 -0.07 0.00 2.01 -0.26 -0.07 115.64 122.28 3gqy s THR 50 Ca -0.09 1.84 -0.07 0.00 0.31 0.00 0.00 61.69 63.68 3gqy s THR 50 Cb -0.16 -4.18 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 3gqy s THR 50 CO 0.04 0.16 0.20 -0.63 -0.69 0.00 0.00 174.62 173.70 3gqy s ILE 51 N 0.93 5.40 0.00 1.82 -1.09 -0.30 -2.18 121.20 125.79 3gqy s ILE 51 Ca 0.54 0.23 0.00 0.00 -2.23 0.00 0.00 60.65 59.19 3gqy s ILE 51 Cb -0.24 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.15 3gqy s ILE 51 CO 0.29 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 175.13 3gqy n GLY 52 N 1.65 1.86 0.38 6.18 0.00 -1.24 -4.68 105.19 109.35 3gqy n GLY 52 Ca -0.16 -0.80 0.20 0.00 0.00 0.00 0.00 46.02 45.25 3gqy n GLY 52 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3gqy h PRO 53 N 0.00 0.49 0.00 1.61 0.11 -1.66 -1.38 132.00 131.16 3gqy h PRO 53 Ca 0.00 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.08 3gqy h PRO 53 Cb 0.00 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.00 3gqy h PRO 53 CO 0.00 0.32 0.00 0.00 -0.21 0.00 0.00 178.00 178.11 3gqy h ALA 54 N 1.65 1.00 0.00 -0.75 0.00 -1.00 -3.36 119.26 116.79 3gqy h ALA 54 Ca 0.59 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.50 3gqy h ALA 54 Cb 1.31 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3gqy h ALA 54 CO -0.34 0.00 -0.24 -1.13 0.00 0.00 0.00 179.25 177.54 3gqy n SER 55 N -2.97 0.39 0.07 0.00 3.41 -0.60 -4.89 113.62 109.02 3gqy n SER 55 Ca 0.03 -1.76 0.04 0.00 -0.26 0.00 0.00 58.87 56.92 3gqy n SER 55 Cb 0.44 -0.14 -0.04 0.00 -0.26 0.00 0.00 64.21 64.21 3gqy n SER 55 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 3gqy h ARG 56 N 0.00 0.00 -7.17 4.33 2.43 -1.49 -3.37 114.38 109.11 3gqy h ARG 56 Ca 0.00 0.00 -0.51 0.00 -0.81 0.00 0.00 59.98 58.66 3gqy h ARG 56 Cb 1.15 0.00 0.10 0.00 -0.42 0.00 0.00 29.97 30.80 3gqy h ARG 56 CO 0.00 0.20 0.39 -1.54 -1.51 0.00 0.00 179.97 177.51 3gqy s SER 57 N -5.71 5.18 0.18 -3.80 1.04 -1.26 -4.80 113.70 104.54 3gqy s SER 57 Ca -0.01 2.08 -0.12 0.00 0.48 0.00 0.00 55.95 58.37 3gqy s SER 57 Cb 0.09 -2.56 0.14 0.00 0.10 0.00 0.00 66.02 63.78 3gqy s SER 57 CO 0.79 -1.58 1.81 0.58 0.98 0.00 0.00 173.24 175.82 3gqy h VAL 58 N 0.30 1.02 -0.57 5.02 2.07 -1.91 -0.08 116.25 122.10 3gqy h VAL 58 Ca -0.48 -0.21 -0.09 0.00 0.82 0.00 0.00 66.70 66.74 3gqy h VAL 58 Cb 1.26 0.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 3gqy h VAL 58 CO 0.54 0.11 0.01 -0.33 0.02 0.00 0.00 177.57 177.92 3gqy h GLU 59 N 0.62 1.01 -0.26 1.57 3.07 -1.95 -1.43 114.58 117.21 3gqy h GLU 59 Ca 0.23 -0.32 -0.17 0.00 -0.50 0.00 0.00 59.36 58.61 3gqy h GLU 59 Cb 0.07 -0.09 -0.00 0.00 -0.84 0.00 0.00 28.75 27.88 3gqy h GLU 59 CO -0.12 1.00 -0.50 1.15 -1.40 0.00 0.00 179.01 179.13 3gqy h THR 60 N 0.90 1.29 -0.90 1.13 2.02 -1.86 -3.09 112.91 112.40 3gqy h THR 60 Ca 0.16 -1.71 0.01 0.00 0.77 0.00 0.00 66.41 65.65 3gqy h THR 60 Cb 0.54 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.53 3gqy h THR 60 CO 0.03 0.55 0.60 -0.07 0.37 0.00 0.00 175.52 176.99 3gqy h LEU 61 N 0.58 1.04 -0.51 2.58 3.38 -0.74 0.29 115.31 121.92 3gqy h LEU 61 Ca 0.02 -0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3gqy h LEU 61 Cb 1.07 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 3gqy h LEU 61 CO 0.11 0.75 0.29 0.11 0.09 0.00 0.00 178.44 179.79 3gqy h LYS 62 N 1.22 0.56 -0.28 1.13 1.57 -1.20 -1.70 116.57 117.87 3gqy h LYS 62 Ca 0.33 -0.03 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 3gqy h LYS 62 Cb -0.14 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 3gqy h LYS 62 CO -0.07 0.37 -0.24 0.93 -0.57 0.00 0.00 179.45 179.87 3gqy h GLU 63 N 0.58 0.55 -0.75 3.15 4.39 -1.30 -1.67 114.58 119.52 3gqy h GLU 63 Ca 0.21 -0.21 0.02 0.00 0.34 0.00 0.00 59.36 59.72 3gqy h GLU 63 Cb 0.05 -0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.63 3gqy h GLU 63 CO -0.11 0.74 0.49 0.52 -1.16 0.00 0.00 179.01 179.50 3gqy h MET 64 N 0.48 0.96 -0.29 2.33 2.86 -0.63 0.22 114.93 120.86 3gqy h MET 64 Ca 0.07 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.61 3gqy h MET 64 Cb 0.67 -0.22 -0.01 0.00 0.06 0.00 0.00 31.60 32.11 3gqy h MET 64 CO 0.05 0.64 0.02 0.82 1.06 0.00 0.00 176.91 179.50 3gqy h ILE 65 N 0.99 1.25 -0.02 -1.22 2.04 -1.00 -0.64 117.51 118.91 3gqy h ILE 65 Ca 0.29 -0.88 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3gqy h ILE 65 Cb -0.07 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 3gqy h ILE 65 CO -0.08 0.28 -0.19 0.11 0.00 0.00 0.00 178.15 178.28 3gqy h LYS 66 N 0.30 0.03 0.00 2.37 1.57 -1.04 -2.50 116.57 117.30 3gqy h LYS 66 Ca 0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3gqy h LYS 66 Cb 0.39 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 3gqy h LYS 66 CO 0.01 0.22 0.00 0.77 -0.57 0.00 0.00 179.45 179.88 3gqy h SER 67 N 0.03 0.00 0.00 0.86 0.02 -0.32 -3.47 113.55 110.67 3gqy h SER 67 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3gqy h SER 67 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 3gqy h SER 67 CO 0.02 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.32 3gqy n GLY 68 N 0.96 0.61 3.70 -3.77 0.00 -0.85 -4.15 105.19 101.69 3gqy n GLY 68 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3gqy n GLY 68 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 3gqy s MET 69 N 0.00 4.16 -0.13 1.61 0.00 -0.30 -4.53 119.30 120.11 3gqy s MET 69 Ca 0.00 2.51 0.13 0.00 0.00 0.00 0.00 55.69 58.33 3gqy s MET 69 Cb 0.00 -3.42 -0.18 0.00 0.00 0.00 0.00 34.83 31.23 3gqy s MET 69 CO 0.00 -0.77 0.08 0.09 0.00 0.00 0.00 175.02 174.42 3gqy n ASN 70 N 5.04 1.54 -3.90 1.11 4.13 -0.27 -4.65 115.26 118.27 3gqy n ASN 70 Ca 0.16 0.00 -0.23 0.00 1.68 0.00 0.00 54.58 56.19 3gqy n ASN 70 Cb 0.38 0.94 -0.17 0.00 -1.54 0.00 0.00 39.78 39.39 3gqy n ASN 70 CO 0.00 0.00 0.00 -0.69 0.28 0.00 0.00 177.26 176.85 3gqy s VAL 71 N -2.42 0.75 -0.29 2.41 1.01 -0.92 -1.32 120.40 119.62 3gqy s VAL 71 Ca -0.07 -0.18 -0.21 0.00 0.00 0.00 0.00 61.98 61.52 3gqy s VAL 71 Cb 0.05 -0.78 -0.01 0.00 0.00 0.00 0.00 36.38 35.64 3gqy s VAL 71 CO 0.58 0.30 0.67 0.00 0.00 0.00 0.00 175.10 176.65 3gqy s ALA 72 N 1.30 3.56 -0.24 5.51 0.00 0.58 -0.46 121.76 132.01 3gqy s ALA 72 Ca -0.04 -0.52 -0.11 0.00 0.00 0.00 0.00 51.96 51.29 3gqy s ALA 72 Cb -0.14 -3.13 -0.05 0.00 0.00 0.00 0.00 23.12 19.81 3gqy s ALA 72 CO -0.03 -1.02 0.20 0.50 0.00 0.00 0.00 175.76 175.42 3gqy s ARG 73 N 2.66 4.08 -0.34 0.00 3.52 0.90 -0.94 118.95 128.83 3gqy s ARG 73 Ca 0.27 -0.20 -0.12 0.00 -0.13 0.00 0.00 55.73 55.55 3gqy s ARG 73 Cb -0.15 -3.55 -0.02 0.00 -1.56 0.00 0.00 34.95 29.68 3gqy s ARG 73 CO 0.11 0.03 0.23 -0.51 -0.81 0.00 0.00 175.30 174.34 3gqy s LEU 74 N 1.16 4.47 -0.52 -0.88 1.43 0.41 -1.15 118.68 123.59 3gqy s LEU 74 Ca 0.09 -0.44 -0.24 0.00 -1.03 0.00 0.00 54.13 52.51 3gqy s LEU 74 Cb -0.14 -2.12 0.04 0.00 0.03 0.00 0.00 46.19 44.00 3gqy s LEU 74 CO 0.05 -0.23 0.90 0.21 0.23 0.00 0.00 176.35 177.51 3gqy s ASN 75 N 1.71 6.36 0.00 2.29 3.84 -1.26 -1.00 114.94 126.87 3gqy s ASN 75 Ca 0.06 -0.31 0.07 0.00 0.21 0.00 0.00 52.86 52.89 3gqy s ASN 75 Cb -0.17 -2.42 0.30 0.00 -0.55 0.00 0.00 41.25 38.40 3gqy s ASN 75 CO 0.10 -1.14 1.21 0.49 -2.79 0.00 0.00 177.10 174.97 3gqy n PHE 76 N 7.23 0.15 0.22 0.43 3.01 0.12 -3.62 117.46 125.00 3gqy n PHE 76 Ca 0.02 -0.08 0.11 0.00 1.01 0.00 0.00 57.45 58.51 3gqy n PHE 76 Cb 0.48 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.62 3gqy n PHE 76 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gqy h SER 77 N 0.78 0.00 -5.29 4.37 0.02 -1.83 -3.38 113.55 108.22 3gqy h SER 77 Ca 0.00 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 60.69 3gqy h SER 77 Cb 0.18 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 62.57 3gqy h SER 77 CO 0.00 0.00 -0.62 -1.00 -1.14 0.00 0.00 176.83 174.07 3gqy s HIS 78 N -5.02 1.20 0.00 3.45 3.76 -1.24 -4.98 115.29 112.47 3gqy s HIS 78 Ca -0.05 -1.30 0.00 0.00 -0.15 0.00 0.00 55.06 53.56 3gqy s HIS 78 Cb 0.17 -0.63 0.00 0.00 1.11 0.00 0.00 32.58 33.24 3gqy s HIS 78 CO 0.67 -0.54 0.00 0.41 -0.85 0.00 0.00 174.74 174.43 3gqy n GLY 79 N -0.29 -0.54 3.89 -2.22 0.00 -1.26 -4.91 105.19 99.86 3gqy n GLY 79 Ca 0.00 -1.43 -0.30 0.00 0.00 0.00 0.00 46.02 44.30 3gqy n GLY 79 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gqy s THR 80 N -2.26 3.03 0.30 2.61 -4.23 -1.26 -4.89 115.64 108.95 3gqy s THR 80 Ca 0.00 0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.83 3gqy s THR 80 Cb 0.00 -3.33 0.19 0.00 1.34 0.00 0.00 72.50 70.70 3gqy s THR 80 CO 0.00 -0.43 1.88 0.45 -0.54 0.00 0.00 174.62 175.98 3gqy h HIS 81 N -0.77 0.82 -0.46 3.99 -0.00 -1.98 -0.90 115.15 115.85 3gqy h HIS 81 Ca -0.45 -0.05 -0.00 0.00 -0.00 0.00 0.00 60.37 59.87 3gqy h HIS 81 Cb 1.28 -0.25 -0.02 0.00 -0.00 0.00 0.00 27.41 28.41 3gqy h HIS 81 CO 0.44 0.65 0.27 0.93 -0.00 0.00 0.00 177.93 180.22 3gqy h GLU 82 N 0.81 0.63 0.52 2.45 3.07 -1.99 0.15 114.58 120.22 3gqy h GLU 82 Ca 0.19 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.36 58.97 3gqy h GLU 82 Cb 0.18 -0.13 -0.00 0.00 -0.84 0.00 0.00 28.75 27.96 3gqy h GLU 82 CO -0.02 0.48 -0.29 -0.92 -1.40 0.00 0.00 179.01 176.86 3gqy h TYR 83 N 0.61 -0.76 -0.27 4.33 3.20 -1.83 -2.54 116.97 119.72 3gqy h TYR 83 Ca 0.16 -0.01 -0.08 0.00 3.14 0.00 0.00 58.73 61.94 3gqy h TYR 83 Cb 0.02 0.26 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 3gqy h TYR 83 CO -0.03 -0.45 -0.17 0.45 -1.64 0.00 0.00 178.16 176.32 3gqy h HIS 84 N -0.76 0.52 -0.79 -3.82 3.86 -1.05 -1.61 115.15 111.50 3gqy h HIS 84 Ca -0.06 -0.09 0.07 0.00 -1.16 0.00 0.00 60.37 59.13 3gqy h HIS 84 Cb 0.60 -0.14 -0.06 0.00 1.06 0.00 0.00 27.41 28.88 3gqy h HIS 84 CO -0.07 0.63 0.46 0.00 0.86 0.00 0.00 177.93 179.80 3gqy h ALA 85 N 1.39 1.08 -0.36 2.45 0.00 -0.67 -1.00 119.26 122.16 3gqy h ALA 85 Ca 0.08 0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.84 3gqy h ALA 85 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3gqy h ALA 85 CO 0.04 0.15 -0.42 1.49 0.00 0.00 0.00 179.25 180.51 3gqy h GLU 86 N 0.82 0.90 -0.22 0.00 4.81 -0.95 -1.28 114.58 118.66 3gqy h GLU 86 Ca 0.36 -0.49 0.03 0.00 -0.13 0.00 0.00 59.36 59.13 3gqy h GLU 86 Cb 0.24 0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 3gqy h GLU 86 CO -0.20 1.14 0.04 1.15 -0.73 0.00 0.00 179.01 180.41 3gqy h THR 87 N 0.72 0.90 -0.62 0.32 2.02 -0.95 -0.98 112.91 114.32 3gqy h THR 87 Ca 0.05 -0.04 0.01 0.00 0.77 0.00 0.00 66.41 67.20 3gqy h THR 87 Cb 1.01 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 68.15 3gqy h THR 87 CO 0.10 0.02 0.40 0.40 0.37 0.00 0.00 175.52 176.82 3gqy h ILE 88 N 0.13 1.14 -0.62 3.11 2.04 -1.04 0.53 117.51 122.79 3gqy h ILE 88 Ca 0.10 -0.28 0.04 0.00 1.00 0.00 0.00 64.86 65.72 3gqy h ILE 88 Cb 0.10 0.25 -0.05 0.00 -0.74 0.00 0.00 36.82 36.38 3gqy h ILE 88 CO -0.13 0.15 0.36 0.50 0.00 0.00 0.00 178.15 179.02 3gqy h LYS 89 N 0.82 0.66 -0.41 2.37 3.64 -1.03 -1.15 116.57 121.47 3gqy h LYS 89 Ca 0.23 -0.04 -0.07 0.00 -1.27 0.00 0.00 60.65 59.51 3gqy h LYS 89 Cb -0.07 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3gqy h LYS 89 CO -0.06 0.44 -0.00 -0.91 -2.27 0.00 0.00 179.45 176.64 3gqy h ASN 90 N 0.68 0.72 -0.63 4.20 4.21 -0.22 -0.62 115.58 123.91 3gqy h ASN 90 Ca 0.27 -0.31 0.11 0.00 1.21 0.00 0.00 56.30 57.57 3gqy h ASN 90 Cb 0.12 -0.19 -0.08 0.00 -1.12 0.00 0.00 38.32 37.04 3gqy h ASN 90 CO -0.15 0.85 0.21 0.58 -1.29 0.00 0.00 177.43 177.64 3gqy h VAL 91 N 0.56 0.72 -0.37 2.81 2.07 -0.65 -0.94 116.25 120.45 3gqy h VAL 91 Ca 0.12 -0.13 -0.15 0.00 0.82 0.00 0.00 66.70 67.36 3gqy h VAL 91 Cb 0.49 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3gqy h VAL 91 CO 0.02 0.07 -0.35 0.03 0.02 0.00 0.00 177.57 177.36 3gqy h ARG 92 N 0.37 0.90 -0.11 1.57 3.08 -0.86 0.39 114.38 119.72 3gqy h ARG 92 Ca 0.33 -0.46 0.02 0.00 0.07 0.00 0.00 59.98 59.93 3gqy h ARG 92 Cb 0.44 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 3gqy h ARG 92 CO -0.35 1.11 -0.01 1.15 -1.07 0.00 0.00 179.97 180.80 3gqy h THR 93 N 0.70 0.91 -0.12 2.04 2.02 -0.85 0.50 112.91 118.12 3gqy h THR 93 Ca 0.06 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.24 3gqy h THR 93 Cb 0.94 0.89 -0.01 0.00 -1.74 0.00 0.00 68.15 68.22 3gqy h THR 93 CO 0.09 0.00 0.04 0.00 0.37 0.00 0.00 175.52 176.02 3gqy h ALA 94 N 1.10 0.13 -0.25 6.16 0.00 -1.05 -1.71 119.26 123.63 3gqy h ALA 94 Ca 0.05 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gqy h ALA 94 Cb 0.07 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gqy h ALA 94 CO -0.10 -0.41 0.15 1.15 0.00 0.00 0.00 179.25 180.05 3gqy h THR 95 N 0.10 1.10 0.00 0.00 2.02 -0.75 -2.81 112.91 112.57 3gqy h THR 95 Ca 0.05 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 67.00 3gqy h THR 95 Cb 0.02 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 3gqy h THR 95 CO -0.05 0.09 0.00 -0.62 0.37 0.00 0.00 175.52 175.32 3gqy n GLU 96 N -4.88 0.16 0.17 6.66 -0.58 0.15 -2.60 120.64 119.72 3gqy n GLU 96 Ca -0.02 0.30 0.12 0.00 -0.42 0.00 0.00 57.16 57.13 3gqy n GLU 96 Cb 0.05 -1.75 0.59 0.00 -0.57 0.00 0.00 31.44 29.76 3gqy n GLU 96 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3gqy h SER 97 N 0.00 0.00 -0.03 1.62 4.64 -1.03 -1.18 113.55 117.58 3gqy h SER 97 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gqy h SER 97 Cb 0.46 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 3gqy h SER 97 CO 0.00 0.00 -0.07 0.49 -0.87 0.00 0.00 176.83 176.38 3gqy n PHE 98 N -2.33 0.00 0.31 4.77 3.72 -1.07 -4.62 117.46 118.23 3gqy n PHE 98 Ca -0.00 0.00 0.17 0.00 -0.05 0.00 0.00 57.45 57.57 3gqy n PHE 98 Cb 0.12 0.00 0.71 0.00 -0.94 0.00 0.00 39.48 39.37 3gqy n PHE 98 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gqy h ALA 99 N 4.29 1.00 -0.26 4.37 0.00 -1.35 -3.23 119.26 124.08 3gqy h ALA 99 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3gqy h ALA 99 Cb 0.90 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 3gqy h ALA 99 CO 0.00 0.00 0.12 0.66 0.00 0.00 0.00 179.25 180.03 3gqy h SER 100 N 0.00 0.16 -2.82 0.00 4.64 -1.82 -3.32 113.55 110.39 3gqy h SER 100 Ca 0.00 0.02 -0.67 0.00 -0.47 0.00 0.00 61.79 60.67 3gqy h SER 100 Cb 0.40 -0.01 -0.18 0.00 -0.31 0.00 0.00 62.40 62.30 3gqy h SER 100 CO 0.00 0.13 0.29 -0.62 -0.87 0.00 0.00 176.83 175.75 3gqy s ASP 101 N -5.35 6.18 0.39 4.97 2.15 -1.22 -4.92 116.67 118.87 3gqy s ASP 101 Ca -0.13 -1.23 0.28 0.00 0.43 0.00 0.00 52.55 51.90 3gqy s ASP 101 Cb 0.10 -2.35 0.98 0.00 -0.30 0.00 0.00 42.92 41.35 3gqy s ASP 101 CO 0.70 -1.24 1.80 -0.65 -0.17 0.00 0.00 175.17 175.61 3gqy h PRO 102 N 9.33 0.00 -0.14 4.34 0.11 -1.83 -1.08 132.00 142.74 3gqy h PRO 102 Ca -0.29 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.70 3gqy h PRO 102 Cb 1.08 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 3gqy h PRO 102 CO 1.13 0.00 -0.42 0.82 -0.21 0.00 0.00 178.00 179.32 3gqy h ILE 103 N 0.00 1.31 0.00 4.15 2.04 -1.93 -3.26 117.51 119.82 3gqy h ILE 103 Ca 0.00 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.31 3gqy h ILE 103 Cb 0.60 1.67 0.00 0.00 -0.74 0.00 0.00 36.82 38.35 3gqy h ILE 103 CO 0.00 0.47 -0.99 0.18 0.00 0.00 0.00 178.15 177.81 3gqy n LEU 104 N -4.02 0.78 -4.71 1.44 4.77 -1.08 -4.69 117.00 109.49 3gqy n LEU 104 Ca -0.02 -0.44 -0.43 0.00 -0.03 0.00 0.00 56.01 55.09 3gqy n LEU 104 Cb 0.49 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.55 3gqy n LEU 104 CO 0.43 0.20 1.29 0.00 -1.33 0.00 0.00 177.39 177.97 3gqy n TYR 105 N -1.52 2.65 -3.85 -1.77 9.36 -0.43 -4.99 117.16 116.61 3gqy n TYR 105 Ca 0.03 0.15 -0.36 0.00 3.32 0.00 0.00 57.90 61.05 3gqy n TYR 105 Cb 0.31 -2.62 -0.13 0.00 -0.63 0.00 0.00 39.34 36.27 3gqy n TYR 105 CO 0.00 0.00 0.00 1.03 0.22 0.00 0.00 176.86 178.11 3gqy s ARG 106 N 0.64 3.39 0.54 2.98 0.52 -1.26 -4.81 118.95 120.95 3gqy s ARG 106 Ca 0.73 -0.63 -0.22 0.00 -0.52 0.00 0.00 55.73 55.09 3gqy s ARG 106 Cb -0.55 -3.14 -0.05 0.00 0.52 0.00 0.00 34.95 31.73 3gqy s ARG 106 CO 0.38 -0.24 1.33 -2.30 0.02 0.00 0.00 175.30 174.49 3gqy n PRO 107 N 4.83 1.65 -4.00 3.54 -0.02 -1.26 -5.00 135.00 134.74 3gqy n PRO 107 Ca -0.17 0.61 -0.23 0.00 -2.02 0.00 0.00 63.50 61.69 3gqy n PRO 107 Cb 0.50 -2.54 -0.17 0.00 -0.02 0.00 0.00 33.50 31.27 3gqy n PRO 107 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3gqy s VAL 108 N -1.30 0.67 0.38 -1.45 1.01 -1.26 -4.90 120.40 113.55 3gqy s VAL 108 Ca 0.71 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.50 3gqy s VAL 108 Cb -0.42 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.18 3gqy s VAL 108 CO 0.49 0.29 0.71 0.00 0.00 0.00 0.00 175.10 176.59 3gqy s ALA 109 N 1.46 3.44 -0.16 5.51 0.00 -0.44 -4.92 121.76 126.65 3gqy s ALA 109 Ca -0.02 -0.35 0.00 0.00 0.00 0.00 0.00 51.96 51.60 3gqy s ALA 109 Cb -0.13 -2.57 -0.00 0.00 0.00 0.00 0.00 23.12 20.42 3gqy s ALA 109 CO -0.04 0.03 -0.15 0.08 0.00 0.00 0.00 175.76 175.68 3gqy s VAL 110 N -2.33 2.67 -0.10 0.00 1.01 -1.26 -0.31 120.40 120.08 3gqy s VAL 110 Ca 0.49 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.74 3gqy s VAL 110 Cb -0.10 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.14 3gqy s VAL 110 CO 0.32 0.51 -0.22 0.00 0.00 0.00 0.00 175.10 175.71 3gqy s ALA 111 N 0.88 2.25 -0.31 5.51 0.00 -0.11 -0.64 121.76 129.35 3gqy s ALA 111 Ca -0.04 -0.96 -0.11 0.00 0.00 0.00 0.00 51.96 50.85 3gqy s ALA 111 Cb -0.15 -0.87 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3gqy s ALA 111 CO -0.01 0.30 0.18 -1.17 0.00 0.00 0.00 175.76 175.06 3gqy s LEU 112 N 0.28 4.16 -0.27 0.00 0.20 -0.56 -0.45 118.68 122.04 3gqy s LEU 112 Ca -0.16 -0.37 -0.08 0.00 0.69 0.00 0.00 54.13 54.21 3gqy s LEU 112 Cb -0.17 -2.06 -0.03 0.00 -0.43 0.00 0.00 46.19 43.50 3gqy s LEU 112 CO 0.08 -0.17 0.11 -0.62 -0.29 0.00 0.00 176.35 175.46 3gqy s ASP 113 N 1.67 5.36 0.48 3.68 -1.08 -0.17 -0.09 116.67 126.52 3gqy s ASP 113 Ca 0.06 -0.27 -0.19 0.00 -0.52 0.00 0.00 52.55 51.63 3gqy s ASP 113 Cb -0.17 -1.97 -0.09 0.00 -1.46 0.00 0.00 42.92 39.23 3gqy s ASP 113 CO 0.08 -0.08 0.99 0.42 0.52 0.00 0.00 175.17 177.10 3gqy s THR 114 N 1.63 4.27 0.09 1.71 -4.23 -0.61 -0.70 115.64 117.79 3gqy s THR 114 Ca 0.06 1.29 -0.21 0.00 -1.18 0.00 0.00 61.69 61.64 3gqy s THR 114 Cb -0.16 -3.59 -0.11 0.00 1.34 0.00 0.00 72.50 69.99 3gqy s THR 114 CO 0.05 -0.43 1.65 0.50 -0.54 0.00 0.00 174.62 175.86 3gqy h LYS 115 N 1.43 0.19 0.00 3.99 3.64 -1.92 -3.40 116.57 120.49 3gqy h LYS 115 Ca -0.48 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 3gqy h LYS 115 Cb 1.19 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.98 3gqy h LYS 115 CO 0.60 0.25 0.00 0.41 -2.27 0.00 0.00 179.45 178.44 3gqy n GLY 116 N -0.80 -1.14 3.73 5.01 0.00 -1.26 -4.86 105.19 105.87 3gqy n GLY 116 Ca -0.05 -1.61 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 3gqy n GLY 116 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3gqy s PRO 117 N -1.30 4.29 0.07 1.61 0.02 -1.26 -4.79 135.00 133.63 3gqy s PRO 117 Ca 0.00 2.23 0.02 0.00 0.02 0.00 0.00 61.00 63.27 3gqy s PRO 117 Cb 0.00 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.33 3gqy s PRO 117 CO 0.00 -0.44 -0.08 -1.21 -0.33 0.00 0.00 177.00 174.95 3gqy s GLU 118 N 0.29 0.70 -0.20 5.54 2.02 -1.26 -4.97 118.70 120.82 3gqy s GLU 118 Ca 0.62 -1.04 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 3gqy s GLU 118 Cb -0.40 -0.31 -0.01 0.00 0.10 0.00 0.00 34.13 33.50 3gqy s GLU 118 CO 0.37 0.03 -0.05 0.42 0.02 0.00 0.00 175.26 176.06 3gqy s ILE 119 N -2.36 3.48 0.04 -1.63 1.01 -1.26 -4.92 121.20 115.55 3gqy s ILE 119 Ca 0.01 -0.47 0.08 0.00 0.00 0.00 0.00 60.65 60.27 3gqy s ILE 119 Cb -0.03 -2.56 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 3gqy s ILE 119 CO -0.02 0.44 -0.24 -0.13 0.00 0.00 0.00 174.94 175.00 3gqy s ARG 120 N 1.13 1.66 0.83 2.79 1.81 -1.26 -0.83 118.95 125.08 3gqy s ARG 120 Ca 0.02 -1.03 -0.11 0.00 -1.72 0.00 0.00 55.73 52.89 3gqy s ARG 120 Cb -0.15 -1.80 0.12 0.00 -0.45 0.00 0.00 34.95 32.68 3gqy s ARG 120 CO -0.00 0.47 1.18 0.95 -0.68 0.00 0.00 175.30 177.21 3gqy s THR 121 N -0.78 2.08 0.16 0.02 -4.23 -0.51 -2.03 115.64 110.34 3gqy s THR 121 Ca 0.10 -0.12 -0.00 0.00 -1.18 0.00 0.00 61.69 60.49 3gqy s THR 121 Cb -0.09 -2.96 0.03 0.00 1.34 0.00 0.00 72.50 70.82 3gqy s THR 121 CO 0.02 0.00 0.21 0.61 -0.54 0.00 0.00 174.62 174.92 3gqy n GLY 122 N -3.35 0.63 3.75 3.99 0.00 -0.79 -3.32 105.19 106.10 3gqy n GLY 122 Ca 0.11 -1.95 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 3gqy n GLY 122 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gqy s LEU 123 N 0.00 4.56 -0.08 0.99 1.43 -1.03 -1.89 118.68 122.65 3gqy s LEU 123 Ca 0.14 1.75 -0.30 0.00 -1.03 0.00 0.00 54.13 54.70 3gqy s LEU 123 Cb -0.01 -3.48 -0.02 0.00 0.03 0.00 0.00 46.19 42.71 3gqy s LEU 123 CO 0.09 0.07 1.14 0.27 0.23 0.00 0.00 176.35 178.15 3gqy s ILE 124 N -0.59 4.44 0.00 -0.59 -5.25 -1.26 -1.75 121.20 116.20 3gqy s ILE 124 Ca 0.42 1.75 0.00 0.00 -0.99 0.00 0.00 60.65 61.82 3gqy s ILE 124 Cb -0.24 -4.12 0.00 0.00 2.95 0.00 0.00 42.46 41.05 3gqy s ILE 124 CO 0.29 -0.01 0.00 2.29 -1.79 0.00 0.00 174.94 175.71 3gqy n LYS 125 N 5.26 0.00 -1.45 0.37 -0.00 -0.96 -4.83 118.16 116.53 3gqy n LYS 125 Ca 0.10 0.00 -0.29 0.00 -0.00 0.00 0.00 58.31 58.13 3gqy n LYS 125 Cb 0.47 0.00 0.15 0.00 -0.00 0.00 0.00 35.03 35.65 3gqy n LYS 125 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 3gqy s GLU 131 N 0.00 0.78 -0.02 -1.58 2.02 -1.26 -4.94 118.70 113.70 3gqy s GLU 131 Ca 0.00 0.26 -0.03 0.00 0.02 0.00 0.00 54.97 55.22 3gqy s GLU 131 Cb 0.00 -1.80 0.01 0.00 0.10 0.00 0.00 34.13 32.43 3gqy s GLU 131 CO 0.00 -2.44 0.08 0.14 0.02 0.00 0.00 175.26 173.07 3gqy s VAL 132 N -3.23 0.02 0.00 2.63 -7.23 -0.94 -4.94 120.40 106.70 3gqy s VAL 132 Ca 0.65 -0.16 0.00 0.00 -1.81 0.00 0.00 61.98 60.66 3gqy s VAL 132 Cb -0.14 -0.18 0.00 0.00 0.56 0.00 0.00 36.38 36.62 3gqy s VAL 132 CO 0.54 -0.09 0.00 -1.84 -0.31 0.00 0.00 175.10 173.40 3gqy n GLU 133 N 2.73 0.01 0.00 4.82 0.00 -1.26 0.22 120.64 127.16 3gqy n GLU 133 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.02 3gqy n GLU 133 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.03 3gqy n GLU 133 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3gqy n ALA 138 N -3.00 0.00 -1.89 -1.84 0.00 -1.26 -4.91 120.51 107.61 3gqy n ALA 138 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 3gqy n ALA 138 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 3gqy n ALA 138 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3gqy s THR 139 N -1.22 4.42 -0.19 0.00 2.01 -1.26 -1.65 115.64 117.75 3gqy s THR 139 Ca 0.00 1.45 -0.07 0.00 0.31 0.00 0.00 61.69 63.38 3gqy s THR 139 Cb 0.00 -3.70 0.09 0.00 0.01 0.00 0.00 72.50 68.90 3gqy s THR 139 CO 0.00 -0.17 0.40 -0.22 -0.69 0.00 0.00 174.62 173.94 3gqy s LEU 140 N -2.85 -0.57 -0.16 4.42 2.96 0.12 -4.77 118.68 117.83 3gqy s LEU 140 Ca 0.57 0.94 -0.15 0.00 -0.22 0.00 0.00 54.13 55.27 3gqy s LEU 140 Cb -0.12 1.27 -0.04 0.00 0.50 0.00 0.00 46.19 47.80 3gqy s LEU 140 CO 0.16 -0.23 0.34 -1.59 -1.32 0.00 0.00 176.35 173.71 3gqy s LYS 141 N 2.52 4.26 -0.19 1.98 -2.85 -0.80 -0.43 119.74 124.24 3gqy s LYS 141 Ca -0.02 0.17 -0.17 0.00 -1.00 0.00 0.00 55.97 54.96 3gqy s LYS 141 Cb -0.12 -3.44 -0.04 0.00 -2.06 0.00 0.00 37.83 32.17 3gqy s LYS 141 CO -0.12 0.18 0.43 0.42 0.10 0.00 0.00 175.35 176.36 3gqy s ILE 142 N 0.62 5.18 -0.04 3.79 -1.09 0.24 -0.38 121.20 129.52 3gqy s ILE 142 Ca 0.18 0.79 0.07 0.00 -2.23 0.00 0.00 60.65 59.46 3gqy s ILE 142 Cb -0.14 -3.76 -0.02 0.00 -1.58 0.00 0.00 42.46 36.97 3gqy s ILE 142 CO 0.06 0.24 -0.25 0.42 -1.23 0.00 0.00 174.94 174.18 3gqy s THR 143 N 1.33 1.99 -2.81 2.92 -4.23 0.04 -0.98 115.64 113.90 3gqy s THR 143 Ca 0.21 -1.06 0.25 0.00 -1.18 0.00 0.00 61.69 59.91 3gqy s THR 143 Cb -0.15 -1.67 0.32 0.00 1.34 0.00 0.00 72.50 72.34 3gqy s THR 143 CO 0.08 0.56 1.43 0.18 -0.54 0.00 0.00 174.62 176.34 3gqy n LEU 144 N 2.68 2.47 -4.61 4.79 4.77 -1.23 -2.50 117.00 123.37 3gqy n LEU 144 Ca -0.17 -0.83 -0.43 0.00 -0.03 0.00 0.00 56.01 54.56 3gqy n LEU 144 Cb 0.52 -0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.58 3gqy n LEU 144 CO 0.24 0.41 1.50 -0.62 -1.33 0.00 0.00 177.39 177.59 3gqy s ASP 145 N -1.99 6.01 0.00 -1.43 2.15 -1.26 -4.87 116.67 115.28 3gqy s ASP 145 Ca 0.32 1.39 0.00 0.00 0.43 0.00 0.00 52.55 54.69 3gqy s ASP 145 Cb 0.20 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 40.30 3gqy s ASP 145 CO 0.31 -1.60 0.91 -0.46 -0.17 0.00 0.00 175.17 174.16 3gqy n ASN 146 N 9.84 0.00 -0.16 -0.34 6.94 -1.26 -0.32 115.26 129.96 3gqy n ASN 146 Ca 0.22 0.41 -0.02 0.00 -0.02 0.00 0.00 54.58 55.17 3gqy n ASN 146 Cb 0.46 -0.41 0.20 0.00 -2.36 0.00 0.00 39.78 37.66 3gqy n ASN 146 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3gqy h ALA 147 N 1.81 1.26 -0.08 -2.53 0.00 -1.99 -2.77 119.26 114.95 3gqy h ALA 147 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3gqy h ALA 147 Cb 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3gqy h ALA 147 CO 0.00 0.54 0.00 0.66 0.00 0.00 0.00 179.25 180.45 3gqy n TYR 148 N -4.31 0.10 -0.19 0.00 0.53 0.57 -4.41 117.16 109.44 3gqy n TYR 148 Ca 0.05 -0.05 0.09 0.00 -1.02 0.00 0.00 57.90 56.97 3gqy n TYR 148 Cb 0.18 0.00 0.38 0.00 -1.03 0.00 0.00 39.34 38.87 3gqy n TYR 148 CO 0.00 0.00 0.00 1.98 -1.02 0.00 0.00 176.86 177.82 3gqy h MET 149 N 0.90 0.66 0.00 -0.72 4.05 -1.59 -2.52 114.93 115.70 3gqy h MET 149 Ca 0.00 -0.04 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 3gqy h MET 149 Cb 0.20 -0.15 0.00 0.00 -0.80 0.00 0.00 31.60 30.85 3gqy h MET 149 CO 0.00 0.44 -0.03 0.39 0.23 0.00 0.00 176.91 177.94 3gqy n GLU 150 N -4.50 1.39 -2.50 0.39 -0.58 -1.26 -2.45 120.64 111.13 3gqy n GLU 150 Ca 0.12 -2.36 -0.15 0.00 -0.42 0.00 0.00 57.16 54.35 3gqy n GLU 150 Cb 0.32 -1.38 0.02 0.00 -0.57 0.00 0.00 31.44 29.83 3gqy n GLU 150 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 3gqy n LYS 151 N -1.25 2.49 -2.43 3.49 4.01 -0.95 -3.89 118.16 119.63 3gqy n LYS 151 Ca 0.13 -3.86 -0.40 0.00 -0.51 0.00 0.00 58.31 53.67 3gqy n LYS 151 Cb 0.60 -1.85 -0.04 0.00 -0.51 0.00 0.00 35.03 33.23 3gqy n LYS 151 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3gqy n ASP 153 N 1.42 -0.02 0.25 0.00 5.68 0.55 -2.28 116.55 122.16 3gqy n ASP 153 Ca 0.00 -1.01 0.10 0.00 -0.50 0.00 0.00 54.79 53.38 3gqy n ASP 153 Cb 0.45 0.03 0.66 0.00 -1.14 0.00 0.00 41.12 41.11 3gqy n ASP 153 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3gqy h GLU 154 N 0.00 0.00 0.08 0.11 -0.00 -1.94 -3.10 114.58 109.73 3gqy h GLU 154 Ca -0.00 0.00 -0.34 0.00 -0.00 0.00 0.00 59.36 59.02 3gqy h GLU 154 Cb 0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 28.75 28.73 3gqy h GLU 154 CO 0.00 0.14 -1.91 0.27 -0.00 0.00 0.00 179.01 177.51 3gqy n ASN 155 N -3.90 1.69 -3.91 3.06 6.94 -1.26 -4.64 115.26 113.23 3gqy n ASN 155 Ca -0.02 0.28 -0.21 0.00 -0.02 0.00 0.00 54.58 54.61 3gqy n ASN 155 Cb 0.23 -0.58 -0.16 0.00 -2.36 0.00 0.00 39.78 36.91 3gqy n ASN 155 CO 0.00 0.00 0.00 0.27 -1.03 0.00 0.00 177.26 176.50 3gqy s ILE 156 N -2.57 0.63 -0.13 1.53 -5.25 -1.17 -1.90 121.20 112.34 3gqy s ILE 156 Ca -0.16 -0.18 0.01 0.00 -0.99 0.00 0.00 60.65 59.33 3gqy s ILE 156 Cb 0.07 -0.64 0.02 0.00 2.95 0.00 0.00 42.46 44.86 3gqy s ILE 156 CO 0.79 0.24 -0.15 -0.22 -1.79 0.00 0.00 174.94 173.82 3gqy s LEU 157 N 0.87 1.69 0.04 0.37 2.96 0.48 -0.33 118.68 124.77 3gqy s LEU 157 Ca -0.12 -0.46 -0.16 0.00 -0.22 0.00 0.00 54.13 53.17 3gqy s LEU 157 Cb -0.15 -1.14 -0.06 0.00 0.50 0.00 0.00 46.19 45.34 3gqy s LEU 157 CO 0.01 -0.03 0.48 0.86 -1.32 0.00 0.00 176.35 176.35 3gqy s TRP 158 N 1.28 3.74 0.20 5.38 -0.00 -1.26 -0.78 118.94 127.49 3gqy s TRP 158 Ca 0.00 1.09 0.10 0.00 -0.00 0.00 0.00 56.10 57.29 3gqy s TRP 158 Cb -0.14 -2.36 -0.04 0.00 -0.00 0.00 0.00 33.47 30.93 3gqy s TRP 158 CO -0.07 0.60 -0.20 -0.51 -0.00 0.00 0.00 176.95 176.78 3gqy s LEU 159 N -1.21 2.47 0.00 5.86 1.43 -1.04 -1.89 118.68 124.31 3gqy s LEU 159 Ca 0.27 -0.91 0.23 0.00 -1.03 0.00 0.00 54.13 52.69 3gqy s LEU 159 Cb -0.17 -0.95 0.48 0.00 0.03 0.00 0.00 46.19 45.57 3gqy s LEU 159 CO 0.16 0.01 1.42 -0.90 0.23 0.00 0.00 176.35 177.27 3gqy n ASP 160 N 0.06 3.05 -4.35 2.29 5.68 -0.86 -4.69 116.55 117.73 3gqy n ASP 160 Ca -0.11 -1.94 -0.46 0.00 -0.50 0.00 0.00 54.79 51.79 3gqy n ASP 160 Cb 0.58 -0.20 -0.04 0.00 -1.14 0.00 0.00 41.12 40.32 3gqy n ASP 160 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 3gqy s TYR 161 N -1.60 3.26 0.42 2.11 6.04 -1.26 -4.94 117.35 121.38 3gqy s TYR 161 Ca 0.37 -1.33 0.12 0.00 0.04 0.00 0.00 57.07 56.26 3gqy s TYR 161 Cb 0.21 -3.93 0.91 0.00 -1.04 0.00 0.00 41.96 38.11 3gqy s TYR 161 CO 0.30 -1.17 1.97 0.87 -1.54 0.00 0.00 175.55 175.99 3gqy h LYS 162 N 8.75 0.13 -0.10 4.97 1.57 -1.97 -2.62 116.57 127.29 3gqy h LYS 162 Ca -0.16 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.59 3gqy h LYS 162 Cb 1.07 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.36 3gqy h LYS 162 CO 1.00 0.27 0.00 0.09 -0.57 0.00 0.00 179.45 180.24 3gqy n ASN 163 N -4.32 1.11 -0.29 0.86 3.02 -1.26 -4.48 115.26 109.91 3gqy n ASN 163 Ca -0.01 -1.59 0.25 0.00 -0.03 0.00 0.00 54.58 53.20 3gqy n ASN 163 Cb 0.24 -0.06 0.58 0.00 -0.61 0.00 0.00 39.78 39.92 3gqy n ASN 163 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3gqy h ILE 164 N 1.51 0.54 -0.03 2.41 2.10 -1.90 0.11 117.51 122.25 3gqy h ILE 164 Ca 0.00 -0.10 -0.11 0.00 1.08 0.00 0.00 64.86 65.74 3gqy h ILE 164 Cb 0.33 0.24 -0.01 0.00 -1.09 0.00 0.00 36.82 36.28 3gqy h ILE 164 CO 0.00 0.05 -0.48 0.00 -1.08 0.00 0.00 178.15 176.64 3gqy h LYS 166 N 0.06 0.00 0.00 0.00 2.10 -1.12 -3.31 116.57 114.30 3gqy h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gqy h LYS 166 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3gqy h LYS 166 CO 0.07 0.51 -1.26 1.55 -2.00 0.00 0.00 179.45 178.31 3gqy n VAL 167 N -3.83 0.32 -4.08 0.07 3.14 -1.09 -4.96 118.33 107.90 3gqy n VAL 167 Ca -0.01 -0.44 -0.23 0.00 -2.96 0.00 0.00 64.34 60.70 3gqy n VAL 167 Cb 0.54 -0.08 -0.06 0.00 -1.06 0.00 0.00 33.84 33.18 3gqy n VAL 167 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 3gqy s VAL 168 N -3.35 3.18 0.15 1.55 -7.23 -0.93 -4.43 120.40 109.35 3gqy s VAL 168 Ca -0.01 -1.66 -0.03 0.00 -1.81 0.00 0.00 61.98 58.47 3gqy s VAL 168 Cb 0.12 -3.01 -0.03 0.00 0.56 0.00 0.00 36.38 34.02 3gqy s VAL 168 CO 0.82 -0.20 0.12 -1.61 -0.31 0.00 0.00 175.10 173.92 3gqy s GLU 169 N -3.85 1.02 0.03 4.82 8.01 -1.26 -4.89 118.70 122.58 3gqy s GLU 169 Ca 0.37 -1.40 -0.32 0.00 0.01 0.00 0.00 54.97 53.63 3gqy s GLU 169 Cb -0.03 0.28 -0.10 0.00 -4.31 0.00 0.00 34.13 29.96 3gqy s GLU 169 CO 0.23 -0.32 1.90 1.33 0.01 0.00 0.00 175.26 178.41 3gqy n VAL 170 N -0.15 0.58 0.00 2.63 0.24 -1.26 -1.09 118.33 119.29 3gqy n VAL 170 Ca -0.05 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.15 3gqy n VAL 170 Cb 0.64 -2.10 0.00 0.00 -1.47 0.00 0.00 33.84 30.90 3gqy n VAL 170 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gqy n GLY 171 N 4.37 2.48 3.75 7.63 0.00 0.38 -5.02 105.19 118.78 3gqy n GLY 171 Ca 0.20 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.80 3gqy n GLY 171 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3gqy n SER 172 N 0.00 3.81 -4.85 1.61 2.88 -0.25 -4.57 113.62 112.25 3gqy n SER 172 Ca 0.00 1.17 -0.32 0.00 -1.33 0.00 0.00 58.87 58.39 3gqy n SER 172 Cb 0.00 -1.59 -0.05 0.00 -0.75 0.00 0.00 64.21 61.82 3gqy n SER 172 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 3gqy s LYS 173 N -0.87 3.95 -0.07 -1.46 0.00 -1.26 -2.36 119.74 117.68 3gqy s LYS 173 Ca 0.62 0.70 -0.02 0.00 0.00 0.00 0.00 55.97 57.27 3gqy s LYS 173 Cb -0.50 -2.35 0.03 0.00 0.00 0.00 0.00 37.83 35.02 3gqy s LYS 173 CO 0.52 0.02 0.02 0.42 0.00 0.00 0.00 175.35 176.33 3gqy s ILE 174 N -2.22 0.21 -0.04 3.79 1.01 -0.16 -4.06 121.20 119.73 3gqy s ILE 174 Ca 0.55 0.20 -0.07 0.00 0.00 0.00 0.00 60.65 61.33 3gqy s ILE 174 Cb -0.10 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 3gqy s ILE 174 CO 0.23 0.21 0.21 -0.31 0.00 0.00 0.00 174.94 175.28 3gqy s TYR 175 N 2.04 3.59 -0.02 3.97 1.51 -0.23 -0.66 117.35 127.55 3gqy s TYR 175 Ca 0.05 0.54 0.03 0.00 -1.01 0.00 0.00 57.07 56.69 3gqy s TYR 175 Cb -0.12 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 3gqy s TYR 175 CO -0.05 0.67 -0.11 0.08 -1.11 0.00 0.00 175.55 175.03 3gqy s VAL 176 N -1.19 0.91 -0.38 0.71 1.01 0.46 -0.92 120.40 121.00 3gqy s VAL 176 Ca 0.22 -0.47 -0.10 0.00 0.00 0.00 0.00 61.98 61.64 3gqy s VAL 176 Cb -0.13 -0.78 0.01 0.00 0.00 0.00 0.00 36.38 35.49 3gqy s VAL 176 CO 0.12 0.27 0.37 -0.67 0.00 0.00 0.00 175.10 175.19 3gqy n ASP 177 N 2.98 -7.98 -4.41 3.32 4.64 0.17 -1.34 116.55 113.94 3gqy n ASP 177 Ca -0.16 0.87 -0.38 0.00 -1.38 0.00 0.00 54.79 53.75 3gqy n ASP 177 Cb 0.55 -5.35 -0.09 0.00 -1.04 0.00 0.00 41.12 35.20 3gqy n ASP 177 CO 0.00 0.00 0.00 -0.90 -0.82 0.00 0.00 177.20 175.48 3gqy n ASP 178 N 0.09 -0.72 0.00 1.67 5.68 -1.25 0.03 116.55 122.05 3gqy n ASP 178 Ca 0.07 -1.24 0.00 0.00 -0.50 0.00 0.00 54.79 53.13 3gqy n ASP 178 Cb 0.29 -1.56 0.00 0.00 -1.14 0.00 0.00 41.12 38.71 3gqy n ASP 178 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3gqy n GLY 179 N -1.64 0.75 0.08 6.12 0.00 -1.25 -4.89 105.19 104.35 3gqy n GLY 179 Ca -0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.85 3gqy n GLY 179 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gqy h LEU 180 N 0.00 0.13 -9.53 0.99 5.85 -0.34 -3.43 115.31 108.98 3gqy h LEU 180 Ca 0.00 -0.11 -0.67 0.00 0.84 0.00 0.00 57.88 57.94 3gqy h LEU 180 Cb 0.00 -0.03 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3gqy h LEU 180 CO 0.00 0.20 -0.54 -0.63 -0.34 0.00 0.00 178.44 177.13 3gqy s ILE 181 N -5.77 4.99 -0.03 4.05 1.01 -0.45 -4.83 121.20 120.18 3gqy s ILE 181 Ca -0.14 -0.06 0.03 0.00 0.00 0.00 0.00 60.65 60.48 3gqy s ILE 181 Cb 0.06 -3.18 -0.00 0.00 0.01 0.00 0.00 42.46 39.35 3gqy s ILE 181 CO 0.68 0.55 -0.12 -0.55 0.00 0.00 0.00 174.94 175.51 3gqy s SER 182 N -1.17 1.49 0.07 3.58 0.15 -0.79 -0.40 113.70 116.63 3gqy s SER 182 Ca 0.17 -0.23 0.04 0.00 0.70 0.00 0.00 55.95 56.62 3gqy s SER 182 Cb -0.12 -0.36 -0.03 0.00 -1.71 0.00 0.00 66.02 63.80 3gqy s SER 182 CO 0.06 0.10 -0.11 -0.76 1.20 0.00 0.00 173.24 173.74 3gqy s LEU 183 N 0.07 2.33 -0.15 3.45 1.43 0.16 -0.77 118.68 125.20 3gqy s LEU 183 Ca -0.02 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.41 3gqy s LEU 183 Cb -0.09 -0.32 0.01 0.00 0.03 0.00 0.00 46.19 45.83 3gqy s LEU 183 CO 0.01 -0.20 -0.21 0.00 0.23 0.00 0.00 176.35 176.18 3gqy s GLN 184 N -2.19 3.01 0.51 1.70 1.03 0.03 -0.99 119.66 122.77 3gqy s GLN 184 Ca -0.01 -0.84 -0.09 0.00 0.04 0.00 0.00 55.36 54.46 3gqy s GLN 184 Cb -0.07 -2.49 0.13 0.00 0.03 0.00 0.00 33.01 30.61 3gqy s GLN 184 CO 0.01 -0.08 0.48 1.33 -2.54 0.00 0.00 175.29 174.48 3gqy n VAL 185 N 4.26 0.00 0.00 3.63 0.24 -0.99 -0.20 118.33 125.27 3gqy n VAL 185 Ca -0.20 -0.23 0.00 0.00 -2.04 0.00 0.00 64.34 61.86 3gqy n VAL 185 Cb 0.51 -1.19 0.00 0.00 -1.47 0.00 0.00 33.84 31.69 3gqy n VAL 185 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 3gqy n ASP 191 N -3.74 0.00 -3.83 -1.34 2.03 -1.26 -0.47 116.55 107.94 3gqy n ASP 191 Ca 0.07 -0.07 -0.10 0.00 0.52 0.00 0.00 54.79 55.21 3gqy n ASP 191 Cb 0.25 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.58 3gqy n ASP 191 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 3gqy s PHE 192 N 0.30 0.08 -0.02 -0.67 2.19 -1.26 -3.57 117.98 115.03 3gqy s PHE 192 Ca 0.00 -0.41 0.01 0.00 0.33 0.00 0.00 56.93 56.86 3gqy s PHE 192 Cb 0.00 -0.02 0.01 0.00 -1.31 0.00 0.00 43.02 41.71 3gqy s PHE 192 CO 0.00 -0.52 -0.03 -0.51 1.83 0.00 0.00 175.22 176.00 3gqy s LEU 193 N -2.55 1.55 -0.25 6.12 1.43 -0.15 -4.99 118.68 119.84 3gqy s LEU 193 Ca 0.01 -0.07 -0.06 0.00 -1.03 0.00 0.00 54.13 52.98 3gqy s LEU 193 Cb 0.02 -0.26 -0.02 0.00 0.03 0.00 0.00 46.19 45.96 3gqy s LEU 193 CO -0.08 -0.03 0.04 0.54 0.23 0.00 0.00 176.35 177.05 3gqy s VAL 194 N 0.53 4.03 0.18 -1.59 0.11 -1.26 0.82 120.40 123.21 3gqy s VAL 194 Ca -0.06 -0.32 0.08 0.00 -2.93 0.00 0.00 61.98 58.75 3gqy s VAL 194 Cb -0.09 -2.90 -0.04 0.00 -1.53 0.00 0.00 36.38 31.82 3gqy s VAL 194 CO -0.01 0.33 -0.16 0.42 -3.33 0.00 0.00 175.10 172.35 3gqy s THR 195 N 1.57 1.75 -0.16 5.04 -4.23 0.43 -4.62 115.64 115.42 3gqy s THR 195 Ca 0.06 -2.03 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 3gqy s THR 195 Cb -0.15 -1.91 -0.01 0.00 1.34 0.00 0.00 72.50 71.77 3gqy s THR 195 CO 0.02 -0.45 -0.11 -1.61 -0.54 0.00 0.00 174.62 171.93 3gqy s GLU 196 N -3.16 3.37 -0.17 3.99 2.02 0.72 0.10 118.70 125.56 3gqy s GLU 196 Ca 0.18 -0.67 -0.29 0.00 0.02 0.00 0.00 54.97 54.21 3gqy s GLU 196 Cb -0.03 -2.75 -0.04 0.00 0.10 0.00 0.00 34.13 31.40 3gqy s GLU 196 CO 0.06 0.06 1.83 0.08 0.02 0.00 0.00 175.26 177.32 3gqy s VAL 197 N 0.76 3.39 -0.10 2.63 1.01 -0.66 -0.79 120.40 126.64 3gqy s VAL 197 Ca -0.04 0.44 -0.19 0.00 0.00 0.00 0.00 61.98 62.18 3gqy s VAL 197 Cb -0.15 -3.40 -0.28 0.00 0.00 0.00 0.00 36.38 32.55 3gqy s VAL 197 CO 0.01 -0.17 0.65 -0.33 0.00 0.00 0.00 175.10 175.26 3gqy h GLU 198 N 11.78 0.23 -3.79 2.72 5.08 -1.27 -3.41 114.58 125.92 3gqy h GLU 198 Ca -0.39 -0.39 -0.55 0.00 -1.00 0.00 0.00 59.36 57.03 3gqy h GLU 198 Cb 1.19 0.15 -0.39 0.00 0.50 0.00 0.00 28.75 30.19 3gqy h GLU 198 CO 0.98 1.19 -0.77 -0.80 -1.00 0.00 0.00 179.01 178.61 3gqy s ASN 199 N -6.95 3.28 0.88 1.42 0.02 -0.86 -4.97 114.94 107.75 3gqy s ASN 199 Ca -0.19 -0.99 -0.14 0.00 -1.02 0.00 0.00 52.86 50.53 3gqy s ASN 199 Cb 0.03 -0.79 0.13 0.00 0.02 0.00 0.00 41.25 40.64 3gqy s ASN 199 CO 0.77 -0.29 1.22 -0.83 0.02 0.00 0.00 177.10 177.98 3gqy s GLY 200 N 1.70 1.65 0.00 0.66 0.00 -1.26 -1.88 107.32 108.19 3gqy s GLY 200 Ca -0.02 -0.82 0.00 0.00 0.00 0.00 0.00 44.72 43.88 3gqy s GLY 200 CO -0.09 -0.23 0.00 0.61 0.00 0.00 0.00 173.10 173.40 3gqy n GLY 201 N -3.29 -1.54 3.62 0.20 0.00 -1.26 -4.83 105.19 98.10 3gqy n GLY 201 Ca 0.10 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.64 3gqy n GLY 201 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 202 N -2.61 6.77 -0.46 1.61 0.01 -1.26 -4.28 113.70 113.49 3gqy s SER 202 Ca 0.00 0.92 -0.21 0.00 1.31 0.00 0.00 55.95 57.98 3gqy s SER 202 Cb 0.00 -2.54 0.03 0.00 0.21 0.00 0.00 66.02 63.72 3gqy s SER 202 CO 0.00 -1.05 0.66 -1.48 0.41 0.00 0.00 173.24 171.78 3gqy s LEU 203 N 4.11 4.56 0.00 2.44 -0.00 0.13 -4.89 118.68 125.04 3gqy s LEU 203 Ca 0.49 -0.44 0.00 0.00 -0.00 0.00 0.00 54.13 54.18 3gqy s LEU 203 Cb -0.12 -2.69 0.00 0.00 -0.00 0.00 0.00 46.19 43.39 3gqy s LEU 203 CO 0.22 -0.83 0.00 0.61 -0.00 0.00 0.00 176.35 176.36 3gqy n GLY 204 N 5.07 0.70 3.90 -3.48 0.00 -1.26 -2.23 105.19 107.88 3gqy n GLY 204 Ca -0.02 -1.90 -0.34 0.00 0.00 0.00 0.00 46.02 43.76 3gqy n GLY 204 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 205 N -1.00 6.40 -1.30 1.61 0.01 -1.26 -4.59 113.70 113.56 3gqy s SER 205 Ca 0.00 0.40 -0.00 0.00 1.31 0.00 0.00 55.95 57.66 3gqy s SER 205 Cb 0.00 -2.03 0.00 0.00 0.21 0.00 0.00 66.02 64.20 3gqy s SER 205 CO 0.00 0.28 0.70 0.29 0.41 0.00 0.00 173.24 174.92 3gqy n LYS 206 N 1.09 -4.95 -3.64 12.44 4.01 -0.79 -4.97 118.16 121.35 3gqy n LYS 206 Ca -0.12 0.63 -0.32 0.00 -0.51 0.00 0.00 58.31 57.99 3gqy n LYS 206 Cb 0.53 -5.19 -0.05 0.00 -0.51 0.00 0.00 35.03 29.81 3gqy n LYS 206 CO 0.00 0.00 0.00 0.15 -1.11 0.00 0.00 177.40 176.44 3gqy s LYS 207 N -5.96 3.64 0.36 1.97 -0.14 -1.26 -4.71 119.74 113.64 3gqy s LYS 207 Ca 0.00 -0.04 -0.26 0.00 -1.36 0.00 0.00 55.97 54.31 3gqy s LYS 207 Cb -0.00 -2.82 -0.09 0.00 -1.68 0.00 0.00 37.83 33.24 3gqy s LYS 207 CO 0.81 0.44 1.12 0.20 -0.76 0.00 0.00 175.35 177.17 3gqy s GLY 208 N -2.43 2.90 -0.02 -3.33 0.00 -1.26 -1.43 107.32 101.75 3gqy s GLY 208 Ca 0.42 0.89 0.07 0.00 0.00 0.00 0.00 44.72 46.10 3gqy s GLY 208 CO 0.24 1.42 -0.22 0.14 0.00 0.00 0.00 173.10 174.67 3gqy s VAL 209 N -1.38 1.78 0.02 1.40 1.01 -0.01 0.43 120.40 123.64 3gqy s VAL 209 Ca 0.53 -0.96 0.07 0.00 0.00 0.00 0.00 61.98 61.62 3gqy s VAL 209 Cb -0.29 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.58 3gqy s VAL 209 CO 0.37 0.50 -0.22 0.20 0.00 0.00 0.00 175.10 175.95 3gqy s ASN 210 N -0.46 2.67 -0.61 3.32 -0.87 -0.10 -4.44 114.94 114.45 3gqy s ASN 210 Ca 0.07 -0.48 0.04 0.00 -1.57 0.00 0.00 52.86 50.92 3gqy s ASN 210 Cb -0.09 -0.26 0.15 0.00 -0.02 0.00 0.00 41.25 41.03 3gqy s ASN 210 CO -0.00 0.23 0.38 -0.76 -2.57 0.00 0.00 177.10 174.38 3gqy s LEU 211 N -0.89 4.39 0.05 0.60 1.43 -1.26 -1.06 118.68 121.93 3gqy s LEU 211 Ca 0.09 -3.43 -0.36 0.00 -1.03 0.00 0.00 54.13 49.41 3gqy s LEU 211 Cb -0.09 -1.56 -0.15 0.00 0.03 0.00 0.00 46.19 44.42 3gqy s LEU 211 CO 0.01 -0.16 1.56 -2.65 0.23 0.00 0.00 176.35 175.34 3gqy n PRO 212 N 2.54 1.70 0.00 1.29 -0.02 -1.26 -1.72 135.00 137.53 3gqy n PRO 212 Ca 0.13 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 3gqy n PRO 212 Cb 0.34 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.48 3gqy n PRO 212 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gqy n GLY 213 N 3.33 2.98 3.78 -1.23 0.00 -1.26 -4.68 105.19 108.11 3gqy n GLY 213 Ca 0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 3gqy n GLY 213 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy s ALA 214 N -2.30 3.23 -1.23 4.61 0.00 -0.70 -4.92 121.76 120.44 3gqy s ALA 214 Ca 0.00 0.52 -0.15 0.00 0.00 0.00 0.00 51.96 52.33 3gqy s ALA 214 Cb 0.00 -3.17 0.14 0.00 0.00 0.00 0.00 23.12 20.09 3gqy s ALA 214 CO 0.00 0.18 1.52 0.00 0.00 0.00 0.00 175.76 177.47 3gqy s ALA 215 N -1.57 3.81 0.06 0.00 0.00 -1.26 -4.80 121.76 118.00 3gqy s ALA 215 Ca 0.49 -3.24 -0.31 0.00 0.00 0.00 0.00 51.96 48.91 3gqy s ALA 215 Cb -0.19 -4.28 -0.09 0.00 0.00 0.00 0.00 23.12 18.57 3gqy s ALA 215 CO 0.24 -2.92 1.75 0.08 0.00 0.00 0.00 175.76 174.91 3gqy s VAL 216 N 2.33 2.98 -0.23 0.00 1.01 -1.26 -4.87 120.40 120.36 3gqy s VAL 216 Ca 0.46 0.33 0.14 0.00 0.00 0.00 0.00 61.98 62.92 3gqy s VAL 216 Cb -0.01 -3.22 0.73 0.00 0.00 0.00 0.00 36.38 33.89 3gqy s VAL 216 CO 0.02 -0.01 1.67 -0.90 0.00 0.00 0.00 175.10 175.88 3gqy n ASP 217 N 6.12 5.12 -4.67 3.32 5.75 -1.26 -4.99 116.55 125.94 3gqy n ASP 217 Ca 0.17 -3.00 -0.38 0.00 -0.01 0.00 0.00 54.79 51.57 3gqy n ASP 217 Cb 0.40 -0.65 0.06 0.00 -1.03 0.00 0.00 41.12 39.89 3gqy n ASP 217 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3gqy n LEU 218 N 0.21 4.79 -4.56 -2.12 4.77 -1.26 -4.90 117.00 113.94 3gqy n LEU 218 Ca 0.28 0.84 -0.41 0.00 -0.03 0.00 0.00 56.01 56.68 3gqy n LEU 218 Cb 1.14 -1.48 0.01 0.00 -2.33 0.00 0.00 43.42 40.76 3gqy n LEU 218 CO 0.29 -1.36 0.41 -2.65 -1.33 0.00 0.00 177.39 172.76 3gqy n PRO 219 N -1.32 1.05 -0.24 3.23 -0.02 -1.26 -4.85 135.00 131.60 3gqy n PRO 219 Ca 0.14 0.38 0.20 0.00 -2.02 0.00 0.00 63.50 62.20 3gqy n PRO 219 Cb 0.47 -1.86 0.53 0.00 -0.02 0.00 0.00 33.50 32.62 3gqy n PRO 219 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqy h ALA 220 N 1.24 2.27 -3.26 3.55 0.00 -1.91 -3.40 119.26 117.74 3gqy h ALA 220 Ca -0.43 0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.07 3gqy h ALA 220 Cb 1.36 -0.02 -0.39 0.00 0.00 0.00 0.00 17.79 18.75 3gqy h ALA 220 CO 0.55 -0.55 -0.76 0.08 0.00 0.00 0.00 179.25 178.57 3gqy s VAL 221 N -5.38 0.27 1.00 0.00 1.01 -1.26 -4.71 120.40 111.32 3gqy s VAL 221 Ca -0.08 0.13 -0.13 0.00 0.00 0.00 0.00 61.98 61.91 3gqy s VAL 221 Cb 0.23 -0.49 0.19 0.00 0.00 0.00 0.00 36.38 36.31 3gqy s VAL 221 CO 0.78 0.19 1.10 -0.94 0.00 0.00 0.00 175.10 176.23 3gqy s SER 222 N 2.01 2.62 0.22 3.32 1.04 -1.26 -4.82 113.70 116.83 3gqy s SER 222 Ca 0.04 1.12 -0.06 0.00 0.48 0.00 0.00 55.95 57.53 3gqy s SER 222 Cb -0.13 -1.77 0.20 0.00 0.10 0.00 0.00 66.02 64.42 3gqy s SER 222 CO -0.05 -3.13 1.78 -0.33 0.98 0.00 0.00 173.24 172.49 3gqy h GLU 223 N -1.89 1.12 -0.39 4.02 5.08 -1.99 -1.64 114.58 118.89 3gqy h GLU 223 Ca -0.54 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 57.58 3gqy h GLU 223 Cb 1.33 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.39 3gqy h GLU 223 CO 0.58 0.94 0.18 -0.22 -1.00 0.00 0.00 179.01 179.49 3gqy h LYS 224 N 1.08 0.56 -0.66 2.33 3.64 -1.98 -2.93 116.57 118.62 3gqy h LYS 224 Ca 0.24 -0.09 0.11 0.00 -1.27 0.00 0.00 60.65 59.65 3gqy h LYS 224 Cb 0.26 -0.10 -0.08 0.00 -0.41 0.00 0.00 32.23 31.90 3gqy h LYS 224 CO -0.01 0.50 0.23 -0.44 -2.27 0.00 0.00 179.45 177.46 3gqy h ASP 225 N 0.49 0.20 -0.45 4.20 3.32 -1.80 0.22 116.42 122.59 3gqy h ASP 225 Ca 0.13 0.10 0.04 0.00 0.02 0.00 0.00 57.03 57.32 3gqy h ASP 225 Cb 0.13 0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3gqy h ASP 225 CO -0.02 0.10 0.21 0.40 -1.72 0.00 0.00 179.24 178.21 3gqy h ILE 226 N 0.39 0.93 -0.52 0.35 2.04 -1.14 0.26 117.51 119.82 3gqy h ILE 226 Ca 0.34 -0.14 -0.10 0.00 1.00 0.00 0.00 64.86 65.96 3gqy h ILE 226 Cb 0.48 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 3gqy h ILE 226 CO -0.36 0.08 -0.06 1.56 0.00 0.00 0.00 178.15 179.36 3gqy h GLN 227 N 0.41 0.96 -0.57 2.37 4.20 -1.26 -2.46 115.11 118.76 3gqy h GLN 227 Ca 0.20 -0.34 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 3gqy h GLN 227 Cb 0.14 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 3gqy h GLN 227 CO -0.16 1.01 -0.04 -0.44 -0.67 0.00 0.00 178.83 178.53 3gqy h ASP 228 N 0.83 1.02 -0.07 1.46 3.32 -0.25 -1.45 116.42 121.27 3gqy h ASP 228 Ca 0.14 -0.30 -0.13 0.00 0.02 0.00 0.00 57.03 56.76 3gqy h ASP 228 Cb 0.61 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3gqy h ASP 228 CO 0.04 1.09 -0.38 -0.07 -1.72 0.00 0.00 179.24 178.20 3gqy h LEU 229 N 0.93 0.62 -0.45 1.55 3.38 -0.49 0.92 115.31 121.77 3gqy h LEU 229 Ca 0.16 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 3gqy h LEU 229 Cb 0.59 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gqy h LEU 229 CO 0.04 0.93 0.28 0.11 0.09 0.00 0.00 178.44 179.89 3gqy h LYS 230 N 0.49 0.60 -0.66 1.13 6.56 -1.29 -1.78 116.57 121.62 3gqy h LYS 230 Ca 0.05 -0.05 0.04 0.00 -1.06 0.00 0.00 60.65 59.63 3gqy h LYS 230 Cb 0.88 -0.13 -0.05 0.00 -0.57 0.00 0.00 32.23 32.36 3gqy h LYS 230 CO 0.08 0.43 0.39 0.35 -2.06 0.00 0.00 179.45 178.64 3gqy h PHE 231 N 0.60 0.72 -0.39 -1.35 3.57 -0.91 -1.62 116.94 117.56 3gqy h PHE 231 Ca 0.16 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.75 3gqy h PHE 231 Cb -0.02 -0.23 -0.06 0.00 2.79 0.00 0.00 35.95 38.43 3gqy h PHE 231 CO -0.04 0.38 0.01 0.78 -2.23 0.00 0.00 178.31 177.22 3gqy h GLY 232 N 0.74 0.40 0.97 2.40 0.00 -0.37 0.95 103.07 108.15 3gqy h GLY 232 Ca 0.28 0.03 -0.00 0.00 0.00 0.00 0.00 47.33 47.64 3gqy h GLY 232 CO -0.14 -0.08 0.17 -2.08 0.00 0.00 0.00 176.54 174.41 3gqy h VAL 233 N 0.12 1.12 -0.82 4.60 2.07 -0.94 -1.56 116.25 120.84 3gqy h VAL 233 Ca 0.19 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.46 3gqy h VAL 233 Cb 0.26 0.78 -0.05 0.00 -1.52 0.00 0.00 31.29 30.76 3gqy h VAL 233 CO -0.31 0.12 0.54 -0.33 0.02 0.00 0.00 177.57 177.61 3gqy h GLU 234 N 0.37 0.94 -0.01 1.57 5.08 -0.81 -1.94 114.58 119.79 3gqy h GLU 234 Ca 0.11 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3gqy h GLU 234 Cb 0.04 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.08 3gqy h GLU 234 CO -0.02 0.62 -0.02 1.04 -1.00 0.00 0.00 179.01 179.64 3gqy n GLN 235 N -4.46 1.26 -3.33 2.33 1.13 0.28 -4.94 117.38 109.65 3gqy n GLN 235 Ca 0.11 -0.47 -0.18 0.00 -1.94 0.00 0.00 57.00 54.53 3gqy n GLN 235 Cb 0.16 -1.49 0.07 0.00 0.11 0.00 0.00 30.24 29.08 3gqy n GLN 235 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3gqy n ASP 236 N -0.46 -4.61 -4.77 1.08 2.03 -0.65 -4.98 116.55 104.19 3gqy n ASP 236 Ca 0.21 -0.46 -0.32 0.00 0.52 0.00 0.00 54.79 54.74 3gqy n ASP 236 Cb 0.24 -4.20 0.06 0.00 -0.72 0.00 0.00 41.12 36.50 3gqy n ASP 236 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 3gqy s VAL 237 N -3.27 3.24 -0.09 5.18 -7.23 -0.85 -4.96 120.40 112.42 3gqy s VAL 237 Ca 0.35 0.52 0.15 0.00 -1.81 0.00 0.00 61.98 61.19 3gqy s VAL 237 Cb -0.15 -3.03 -0.16 0.00 0.56 0.00 0.00 36.38 33.59 3gqy s VAL 237 CO 0.59 -0.41 0.83 0.44 -0.31 0.00 0.00 175.10 176.24 3gqy h ASP 238 N -0.32 0.00 -4.77 4.85 3.32 -1.24 -3.45 116.42 114.81 3gqy h ASP 238 Ca -0.46 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 3gqy h ASP 238 Cb 1.24 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.61 3gqy h ASP 238 CO 0.53 0.73 0.31 0.00 -1.72 0.00 0.00 179.24 179.09 3gqy s MET 239 N -2.81 0.97 -0.11 3.56 0.23 -1.14 -2.45 119.30 117.54 3gqy s MET 239 Ca -0.03 0.04 0.02 0.00 -1.03 0.00 0.00 55.69 54.69 3gqy s MET 239 Cb 0.08 0.46 -0.01 0.00 -1.53 0.00 0.00 34.83 33.83 3gqy s MET 239 CO 0.81 -0.34 -0.19 0.08 -2.03 0.00 0.00 175.02 173.35 3gqy s VAL 240 N -1.86 2.53 -0.55 5.16 1.01 0.81 -1.50 120.40 126.00 3gqy s VAL 240 Ca -0.05 -0.85 -0.17 0.00 0.00 0.00 0.00 61.98 60.91 3gqy s VAL 240 Cb -0.00 -2.01 0.11 0.00 0.00 0.00 0.00 36.38 34.47 3gqy s VAL 240 CO 0.02 0.54 0.56 -0.36 0.00 0.00 0.00 175.10 175.86 3gqy s PHE 241 N 0.31 3.15 -0.30 5.22 0.08 0.87 -0.83 117.98 126.47 3gqy s PHE 241 Ca -0.14 -1.08 -0.23 0.00 0.12 0.00 0.00 56.93 55.60 3gqy s PHE 241 Cb -0.17 -3.77 -0.00 0.00 -0.57 0.00 0.00 43.02 38.51 3gqy s PHE 241 CO 0.07 -1.08 0.75 0.00 -0.10 0.00 0.00 175.22 174.87 3gqy s ALA 242 N 2.04 3.53 0.43 5.36 0.00 -0.40 -1.58 121.76 131.15 3gqy s ALA 242 Ca 0.07 -0.46 -0.23 0.00 0.00 0.00 0.00 51.96 51.33 3gqy s ALA 242 Cb -0.27 -3.26 -0.08 0.00 0.00 0.00 0.00 23.12 19.52 3gqy s ALA 242 CO 0.05 -1.16 1.12 -1.12 0.00 0.00 0.00 175.76 174.64 3gqy s SER 243 N 1.62 6.43 -1.26 0.00 0.01 -1.26 -1.28 113.70 117.95 3gqy s SER 243 Ca 0.31 2.19 -0.04 0.00 1.31 0.00 0.00 55.95 59.72 3gqy s SER 243 Cb -0.14 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.50 3gqy s SER 243 CO 0.12 -0.73 1.08 0.33 0.41 0.00 0.00 173.24 174.45 3gqy n PHE 244 N -0.30 -2.50 -2.65 2.43 7.35 -1.22 -4.72 117.46 115.84 3gqy n PHE 244 Ca 0.06 0.97 -0.43 0.00 -0.76 0.00 0.00 57.45 57.29 3gqy n PHE 244 Cb 0.49 -5.03 -0.02 0.00 0.35 0.00 0.00 39.48 35.27 3gqy n PHE 244 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 3gqy s ILE 245 N -3.34 4.67 -0.13 -2.13 -1.09 -0.85 -4.91 121.20 113.43 3gqy s ILE 245 Ca 0.28 2.00 0.11 0.00 -2.23 0.00 0.00 60.65 60.82 3gqy s ILE 245 Cb -0.12 -4.29 -0.16 0.00 -1.58 0.00 0.00 42.46 36.30 3gqy s ILE 245 CO 0.72 -0.14 0.30 0.54 -1.23 0.00 0.00 174.94 175.13 3gqy n ARG 246 N 6.09 1.00 -3.57 2.79 1.74 -1.26 -4.41 116.66 119.04 3gqy n ARG 246 Ca 0.12 -0.08 -0.08 0.00 -0.77 0.00 0.00 57.85 57.03 3gqy n ARG 246 Cb 0.46 -1.22 -0.02 0.00 -1.02 0.00 0.00 32.46 30.67 3gqy n ARG 246 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 3gqy s LYS 247 N -2.63 1.18 0.28 5.56 -2.85 -1.26 -3.87 119.74 116.15 3gqy s LYS 247 Ca -0.02 -0.52 0.00 0.00 -1.00 0.00 0.00 55.97 54.43 3gqy s LYS 247 Cb 0.07 0.49 0.52 0.00 -2.06 0.00 0.00 37.83 36.85 3gqy s LYS 247 CO 0.47 -0.52 1.84 0.00 0.10 0.00 0.00 175.35 177.24 3gqy h ALA 248 N 2.00 1.49 0.00 0.59 0.00 -1.85 -1.82 119.26 119.67 3gqy h ALA 248 Ca -0.26 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 3gqy h ALA 248 Cb 1.26 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 3gqy h ALA 248 CO 0.31 0.27 -0.20 0.66 0.00 0.00 0.00 179.25 180.29 3gqy h SER 249 N 1.04 0.00 -0.75 0.00 4.64 -1.96 -1.30 113.55 115.21 3gqy h SER 249 Ca 0.48 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 3gqy h SER 249 Cb 0.42 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.48 3gqy h SER 249 CO -0.25 0.20 0.42 0.44 -0.87 0.00 0.00 176.83 176.78 3gqy h ASP 250 N 0.00 0.92 -0.23 4.97 3.32 -1.74 -1.90 116.42 121.76 3gqy h ASP 250 Ca -0.00 -0.09 -0.00 0.00 0.02 0.00 0.00 57.03 56.96 3gqy h ASP 250 Cb 0.40 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 3gqy h ASP 250 CO 0.03 0.74 0.12 0.58 -1.72 0.00 0.00 179.24 178.99 3gqy h VAL 251 N 1.03 1.12 -0.99 -1.35 2.07 -1.28 -2.33 116.25 114.52 3gqy h VAL 251 Ca 0.27 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3gqy h VAL 251 Cb 0.01 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 30.63 3gqy h VAL 251 CO -0.05 0.11 0.64 0.45 0.02 0.00 0.00 177.57 178.75 3gqy h HIS 252 N 0.26 1.20 -0.40 1.57 3.86 -1.21 0.15 115.15 120.57 3gqy h HIS 252 Ca 0.08 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.28 3gqy h HIS 252 Cb 0.07 -0.40 -0.02 0.00 1.06 0.00 0.00 27.41 28.13 3gqy h HIS 252 CO -0.03 0.66 0.09 0.93 0.86 0.00 0.00 177.93 180.44 3gqy h GLU 253 N 1.21 0.65 -0.42 2.45 5.08 -1.19 0.40 114.58 122.76 3gqy h GLU 253 Ca 0.40 -0.16 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 3gqy h GLU 253 Cb 0.07 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 3gqy h GLU 253 CO -0.14 0.67 0.27 0.28 -1.00 0.00 0.00 179.01 179.10 3gqy h VAL 254 N 0.51 1.11 -0.67 3.13 2.07 -0.84 -0.18 116.25 121.39 3gqy h VAL 254 Ca 0.13 -0.22 0.05 0.00 0.82 0.00 0.00 66.70 67.48 3gqy h VAL 254 Cb 0.32 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3gqy h VAL 254 CO 0.00 0.11 0.38 -0.09 0.02 0.00 0.00 177.57 178.00 3gqy h ARG 255 N 0.56 0.70 -0.59 1.57 9.65 -0.40 -1.50 114.38 124.36 3gqy h ARG 255 Ca 0.15 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.92 3gqy h ARG 255 Cb -0.05 -0.16 -0.02 0.00 -1.39 0.00 0.00 29.97 28.35 3gqy h ARG 255 CO -0.03 0.46 0.11 0.87 2.80 0.00 0.00 179.97 184.18 3gqy h LYS 256 N 0.72 0.98 -0.70 0.20 6.56 0.18 -1.32 116.57 123.19 3gqy h LYS 256 Ca 0.29 -0.26 -0.07 0.00 -1.06 0.00 0.00 60.65 59.56 3gqy h LYS 256 Cb 0.15 -0.12 -0.03 0.00 -0.57 0.00 0.00 32.23 31.67 3gqy h LYS 256 CO -0.17 0.92 0.18 0.28 -2.06 0.00 0.00 179.45 178.60 3gqy h VAL 257 N 0.88 1.26 -0.26 0.50 2.07 -0.72 -2.64 116.25 117.34 3gqy h VAL 257 Ca 0.18 -0.96 -0.08 0.00 0.82 0.00 0.00 66.70 66.66 3gqy h VAL 257 Cb 0.41 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.70 3gqy h VAL 257 CO 0.01 0.37 -0.19 -0.07 0.02 0.00 0.00 177.57 177.71 3gqy h LEU 258 N 1.06 0.46 0.00 2.57 3.38 -1.13 -3.46 115.31 118.19 3gqy h LEU 258 Ca 0.22 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3gqy h LEU 258 Cb 0.37 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3gqy h LEU 258 CO 0.00 0.67 0.00 0.61 0.09 0.00 0.00 178.44 179.81 3gqy n GLY 259 N -0.51 -0.83 0.32 0.83 0.00 -0.51 -1.35 105.19 103.14 3gqy n GLY 259 Ca 0.00 -1.07 -0.06 0.00 0.00 0.00 0.00 46.02 44.89 3gqy n GLY 259 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3gqy h GLU 260 N 0.00 1.05 -0.33 1.61 4.57 -1.89 -0.24 114.58 119.35 3gqy h GLU 260 Ca 0.00 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.91 3gqy h GLU 260 Cb 0.00 -0.14 -0.02 0.00 -0.16 0.00 0.00 28.75 28.43 3gqy h GLU 260 CO 0.00 0.92 0.08 0.87 -1.18 0.00 0.00 179.01 179.71 3gqy h LYS 261 N 1.00 0.47 -0.44 1.92 1.79 -1.98 -2.72 116.57 116.60 3gqy h LYS 261 Ca 0.21 -0.07 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3gqy h LYS 261 Cb 0.35 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.91 3gqy h LYS 261 CO 0.00 0.44 0.00 0.41 -1.08 0.00 0.00 179.45 179.22 3gqy n GLY 262 N -1.12 3.44 0.29 3.86 0.00 -0.46 -4.69 105.19 106.51 3gqy n GLY 262 Ca 0.02 -0.97 0.11 0.00 0.00 0.00 0.00 46.02 45.18 3gqy n GLY 262 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3gqy h LYS 263 N 3.04 0.00 -0.02 1.61 2.10 -0.72 -1.44 116.57 121.13 3gqy h LYS 263 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3gqy h LYS 263 Cb 1.72 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.05 3gqy h LYS 263 CO 0.36 0.00 -0.00 0.09 -2.00 0.00 0.00 179.45 177.90 3gqy n ASN 264 N -4.39 1.75 -4.69 7.07 3.02 -1.26 -4.86 115.26 111.90 3gqy n ASN 264 Ca -0.01 -1.58 -0.42 0.00 -0.03 0.00 0.00 54.58 52.54 3gqy n ASN 264 Cb 0.18 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.33 3gqy n ASN 264 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gqy s ILE 265 N -2.01 4.61 0.24 2.41 1.01 -0.54 -4.96 121.20 121.95 3gqy s ILE 265 Ca 0.36 1.89 -0.30 0.00 0.00 0.00 0.00 60.65 62.61 3gqy s ILE 265 Cb 0.21 -4.22 -0.09 0.00 0.01 0.00 0.00 42.46 38.37 3gqy s ILE 265 CO 0.33 0.01 1.12 -0.54 0.00 0.00 0.00 174.94 175.86 3gqy s LYS 266 N 2.03 4.60 -0.29 2.79 -0.14 -1.03 -4.86 119.74 122.84 3gqy s LYS 266 Ca 0.51 1.80 -0.07 0.00 -1.36 0.00 0.00 55.97 56.84 3gqy s LYS 266 Cb -0.21 -3.22 0.00 0.00 -1.68 0.00 0.00 37.83 32.73 3gqy s LYS 266 CO 0.20 0.12 0.09 0.42 -0.76 0.00 0.00 175.35 175.42 3gqy s ILE 267 N -0.73 4.09 -0.33 2.17 1.01 -1.26 -0.13 121.20 126.01 3gqy s ILE 267 Ca 0.47 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 60.44 3gqy s ILE 267 Cb -0.31 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.09 3gqy s ILE 267 CO 0.39 0.12 0.16 -0.63 0.00 0.00 0.00 174.94 174.98 3gqy s ILE 268 N 1.53 4.53 -0.05 2.92 -1.09 -0.01 -0.91 121.20 128.12 3gqy s ILE 268 Ca 0.03 -0.60 -0.30 0.00 -2.23 0.00 0.00 60.65 57.55 3gqy s ILE 268 Cb -0.17 -3.39 -0.02 0.00 -1.58 0.00 0.00 42.46 37.30 3gqy s ILE 268 CO 0.03 -0.04 1.00 -0.44 -1.23 0.00 0.00 174.94 174.26 3gqy s SER 269 N 1.58 7.30 -0.27 3.58 0.01 -0.45 -1.27 113.70 124.18 3gqy s SER 269 Ca 0.03 1.61 -0.22 0.00 1.31 0.00 0.00 55.95 58.68 3gqy s SER 269 Cb -0.18 -2.56 -0.01 0.00 0.21 0.00 0.00 66.02 63.48 3gqy s SER 269 CO 0.06 -0.35 0.74 -0.54 0.41 0.00 0.00 173.24 173.55 3gqy s LYS 270 N 1.50 4.06 -0.35 12.44 1.02 -0.40 -0.66 119.74 137.35 3gqy s LYS 270 Ca 0.50 0.64 -0.19 0.00 0.02 0.00 0.00 55.97 56.95 3gqy s LYS 270 Cb -0.20 -3.68 -0.00 0.00 -0.52 0.00 0.00 37.83 33.43 3gqy s LYS 270 CO 0.23 -0.54 0.55 0.42 -0.92 0.00 0.00 175.35 175.09 3gqy s ILE 271 N 2.75 4.98 0.00 2.17 -1.09 -0.50 -2.00 121.20 127.52 3gqy s ILE 271 Ca 0.30 0.42 0.00 0.00 -2.23 0.00 0.00 60.65 59.15 3gqy s ILE 271 Cb -0.15 -4.00 0.00 0.00 -1.58 0.00 0.00 42.46 36.74 3gqy s ILE 271 CO 0.10 -0.24 0.13 -0.62 -1.23 0.00 0.00 174.94 173.07 3gqy n GLU 272 N 5.83 3.20 -3.99 2.79 1.02 -1.26 -2.47 120.64 125.76 3gqy n GLU 272 Ca -0.04 -0.13 -0.13 0.00 -0.02 0.00 0.00 57.16 56.85 3gqy n GLU 272 Cb 0.49 -0.54 -0.01 0.00 -0.02 0.00 0.00 31.44 31.35 3gqy n GLU 272 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3gqy s ASN 273 N -0.49 0.69 0.16 1.62 4.22 -1.26 -2.66 114.94 117.21 3gqy s ASN 273 Ca 0.00 -1.42 -0.14 0.00 -2.14 0.00 0.00 52.86 49.16 3gqy s ASN 273 Cb 0.00 0.75 0.04 0.00 1.28 0.00 0.00 41.25 43.32 3gqy s ASN 273 CO 0.00 -1.48 1.74 -0.74 -2.04 0.00 0.00 177.10 174.58 3gqy h HIS 274 N 2.04 0.72 -0.56 1.54 -0.00 -1.92 -2.51 115.15 114.46 3gqy h HIS 274 Ca -0.30 -0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.03 3gqy h HIS 274 Cb 1.24 -0.22 -0.03 0.00 -0.00 0.00 0.00 27.41 28.40 3gqy h HIS 274 CO 1.59 0.57 0.34 1.49 -0.00 0.00 0.00 177.93 181.92 3gqy h GLU 275 N 0.66 0.76 -1.00 5.26 4.81 -1.89 -0.41 114.58 122.78 3gqy h GLU 275 Ca 0.17 -0.07 0.09 0.00 -0.13 0.00 0.00 59.36 59.42 3gqy h GLU 275 Cb 0.12 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.26 3gqy h GLU 275 CO -0.02 0.55 0.64 0.78 -0.73 0.00 0.00 179.01 180.22 3gqy h GLY 276 N 0.76 1.57 0.75 1.92 0.00 -1.62 -0.04 103.07 106.40 3gqy h GLY 276 Ca 0.20 -0.45 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3gqy h GLY 276 CO -0.04 0.26 -0.03 -2.08 0.00 0.00 0.00 176.54 174.65 3gqy h VAL 277 N 1.09 1.29 -0.92 4.60 2.07 -0.92 -2.51 116.25 120.95 3gqy h VAL 277 Ca 0.46 -0.99 0.03 0.00 0.82 0.00 0.00 66.70 67.02 3gqy h VAL 277 Cb 0.30 1.67 -0.05 0.00 -1.52 0.00 0.00 31.29 31.70 3gqy h VAL 277 CO -0.21 0.29 0.60 0.03 0.02 0.00 0.00 177.57 178.29 3gqy h ARG 278 N -0.05 1.15 -0.88 1.57 3.08 -0.58 -2.57 114.38 116.09 3gqy h ARG 278 Ca 0.03 -0.07 -0.48 0.00 0.07 0.00 0.00 59.98 59.53 3gqy h ARG 278 Cb 0.46 -0.26 -0.27 0.00 0.08 0.00 0.00 29.97 29.98 3gqy h ARG 278 CO 0.01 0.76 0.53 0.54 -1.07 0.00 0.00 179.97 180.74 3gqy n ARG 279 N -4.49 2.25 -0.15 0.04 1.74 -0.08 -4.68 116.66 111.30 3gqy n ARG 279 Ca 0.11 -3.10 -0.08 0.00 -0.77 0.00 0.00 57.85 54.01 3gqy n ARG 279 Cb 0.07 -2.13 0.00 0.00 -1.02 0.00 0.00 32.46 29.38 3gqy n ARG 279 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3gqy h PHE 280 N 1.14 0.65 -0.61 -1.55 3.57 -1.02 -2.63 116.94 116.50 3gqy h PHE 280 Ca 0.56 -0.04 0.08 0.00 3.53 0.00 0.00 57.97 62.10 3gqy h PHE 280 Cb 2.39 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 40.87 3gqy h PHE 280 CO 1.47 0.53 0.27 -0.44 -2.23 0.00 0.00 178.31 177.92 3gqy h ASP 281 N 0.57 0.33 -0.11 0.41 3.32 -1.85 0.94 116.42 120.04 3gqy h ASP 281 Ca 0.15 0.06 -0.14 0.00 0.02 0.00 0.00 57.03 57.12 3gqy h ASP 281 Cb 0.14 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 3gqy h ASP 281 CO -0.02 0.21 -0.43 1.05 -1.72 0.00 0.00 179.24 178.33 3gqy h GLU 282 N 0.49 0.65 -0.34 3.56 4.11 -1.92 -2.09 114.58 119.04 3gqy h GLU 282 Ca 0.30 -0.35 -0.02 0.00 0.07 0.00 0.00 59.36 59.36 3gqy h GLU 282 Cb 0.31 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 3gqy h GLU 282 CO -0.25 0.95 0.12 0.82 0.07 0.00 0.00 179.01 180.72 3gqy h ILE 283 N 0.53 1.19 -0.33 -1.06 2.04 -1.02 -2.72 117.51 116.14 3gqy h ILE 283 Ca 0.04 -0.61 0.01 0.00 1.00 0.00 0.00 64.86 65.30 3gqy h ILE 283 Cb 0.96 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 37.98 3gqy h ILE 283 CO 0.09 0.21 0.19 0.25 0.00 0.00 0.00 178.15 178.89 3gqy h LEU 284 N 0.40 0.31 -0.67 1.44 5.85 -0.74 -1.45 115.31 120.45 3gqy h LEU 284 Ca 0.11 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.90 3gqy h LEU 284 Cb 0.21 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.12 3gqy h LEU 284 CO -0.01 0.22 0.35 -0.08 -0.34 0.00 0.00 178.44 178.59 3gqy h GLU 285 N 0.39 0.62 0.00 1.25 4.22 -1.31 -2.07 114.58 117.69 3gqy h GLU 285 Ca 0.13 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.53 3gqy h GLU 285 Cb 0.01 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.12 3gqy h GLU 285 CO -0.07 0.41 0.00 0.00 -2.18 0.00 0.00 179.01 177.18 3gqy h ALA 286 N 1.37 1.00 -2.09 2.92 0.00 -1.18 -3.47 119.26 117.82 3gqy h ALA 286 Ca 0.31 0.00 -0.46 0.00 0.00 0.00 0.00 54.91 54.76 3gqy h ALA 286 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3gqy h ALA 286 CO -0.21 0.00 -0.30 -1.12 0.00 0.00 0.00 179.25 177.62 3gqy s SER 287 N -5.25 6.16 0.28 0.00 0.01 -0.57 -4.90 113.70 109.42 3gqy s SER 287 Ca 0.07 0.14 0.24 0.00 1.31 0.00 0.00 55.95 57.70 3gqy s SER 287 Cb 0.09 -1.70 0.31 0.00 0.21 0.00 0.00 66.02 64.92 3gqy s SER 287 CO 0.58 -0.31 1.41 0.44 0.41 0.00 0.00 173.24 175.77 3gqy h ASP 288 N 0.88 0.00 0.00 2.44 3.32 -1.29 -3.48 116.42 118.30 3gqy h ASP 288 Ca -0.49 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.52 3gqy h ASP 288 Cb 1.24 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3gqy h ASP 288 CO 0.59 0.02 0.00 0.61 -1.72 0.00 0.00 179.24 178.73 3gqy n GLY 289 N 1.20 -1.12 2.96 2.75 0.00 -1.10 -4.13 105.19 105.75 3gqy n GLY 289 Ca 0.03 -1.00 -0.15 0.00 0.00 0.00 0.00 46.02 44.90 3gqy n GLY 289 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqy s ILE 290 N -2.07 0.37 -0.15 -0.61 -1.09 -0.13 -1.34 121.20 116.18 3gqy s ILE 290 Ca 0.00 -0.31 -0.01 0.00 -2.23 0.00 0.00 60.65 58.11 3gqy s ILE 290 Cb 0.00 -0.33 -0.01 0.00 -1.58 0.00 0.00 42.46 40.54 3gqy s ILE 290 CO 0.00 0.03 -0.12 -0.32 -1.23 0.00 0.00 174.94 173.30 3gqy s MET 291 N -0.30 3.36 -0.91 2.79 -2.45 0.17 -0.81 119.30 121.15 3gqy s MET 291 Ca -0.00 -0.69 -0.24 0.00 -1.25 0.00 0.00 55.69 53.51 3gqy s MET 291 Cb -0.03 -2.68 0.05 0.00 1.25 0.00 0.00 34.83 33.41 3gqy s MET 291 CO -0.00 0.12 1.36 0.08 1.05 0.00 0.00 175.02 177.63 3gqy s VAL 292 N 0.58 3.90 -1.25 10.11 1.01 -0.26 -1.40 120.40 133.08 3gqy s VAL 292 Ca -0.07 -0.38 -0.18 0.00 0.00 0.00 0.00 61.98 61.35 3gqy s VAL 292 Cb -0.15 -4.99 0.09 0.00 0.00 0.00 0.00 36.38 31.32 3gqy s VAL 292 CO 0.03 -1.88 1.65 0.00 0.00 0.00 0.00 175.10 174.91 3gqy s ALA 293 N 5.12 3.37 0.33 5.51 0.00 -1.03 -3.05 121.76 132.01 3gqy s ALA 293 Ca 0.41 -2.93 0.19 0.00 0.00 0.00 0.00 51.96 49.64 3gqy s ALA 293 Cb -0.03 -4.54 0.96 0.00 0.00 0.00 0.00 23.12 19.50 3gqy s ALA 293 CO -0.01 -3.24 1.89 0.00 0.00 0.00 0.00 175.76 174.40 3gqy h ARG 294 N 7.74 0.00 0.24 0.00 3.08 -1.83 -2.48 114.38 121.12 3gqy h ARG 294 Ca 0.40 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.44 3gqy h ARG 294 Cb 0.89 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.94 3gqy h ARG 294 CO 1.42 0.28 -0.15 0.78 -1.07 0.00 0.00 179.97 181.23 3gqy h GLY 295 N 1.28 -0.61 1.46 0.04 0.00 -1.88 -1.51 103.07 101.85 3gqy h GLY 295 Ca -0.00 0.25 -0.07 0.00 0.00 0.00 0.00 47.33 47.51 3gqy h GLY 295 CO 0.04 -0.21 -0.06 -0.55 0.00 0.00 0.00 176.54 175.75 3gqy h ASP 296 N -0.36 0.63 -0.87 0.19 3.32 -1.85 -2.57 116.42 114.91 3gqy h ASP 296 Ca -0.03 -0.16 0.11 0.00 0.02 0.00 0.00 57.03 56.97 3gqy h ASP 296 Cb 0.29 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 39.59 3gqy h ASP 296 CO 0.03 0.74 0.50 0.25 -1.72 0.00 0.00 179.24 179.05 3gqy h LEU 297 N 0.61 0.70 0.00 1.55 5.85 -1.21 -0.83 115.31 121.98 3gqy h LEU 297 Ca 0.12 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.89 3gqy h LEU 297 Cb 0.47 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.43 3gqy h LEU 297 CO 0.02 0.37 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 3gqy n GLY 298 N -1.33 -1.09 0.13 3.75 0.00 -0.57 -0.84 105.19 105.24 3gqy n GLY 298 Ca 0.16 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.85 3gqy n GLY 298 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gqy n ILE 299 N -1.31 1.68 0.08 -0.61 5.41 -0.52 -3.82 119.36 120.28 3gqy n ILE 299 Ca 0.10 -0.44 -0.04 0.00 1.00 0.00 0.00 62.75 63.37 3gqy n ILE 299 Cb 0.20 -1.82 0.17 0.00 -0.71 0.00 0.00 39.64 37.48 3gqy n ILE 299 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3gqy h GLU 300 N -0.32 0.25 -5.91 0.38 4.39 -0.86 -3.44 114.58 109.08 3gqy h GLU 300 Ca -0.43 -0.15 -0.53 0.00 0.34 0.00 0.00 59.36 58.60 3gqy h GLU 300 Cb 1.78 0.01 -0.15 0.00 -0.10 0.00 0.00 28.75 30.29 3gqy h GLU 300 CO -0.04 0.70 -0.75 0.96 -1.16 0.00 0.00 179.01 178.72 3gqy s ILE 301 N -3.96 2.08 0.15 3.13 -4.36 -0.02 -4.13 121.20 114.09 3gqy s ILE 301 Ca -0.04 -2.26 -0.34 0.00 -0.26 0.00 0.00 60.65 57.74 3gqy s ILE 301 Cb 0.13 -2.14 -0.16 0.00 1.25 0.00 0.00 42.46 41.54 3gqy s ILE 301 CO 0.79 -0.47 1.32 -2.65 0.24 0.00 0.00 174.94 174.16 3gqy n PRO 302 N -0.40 1.40 0.09 0.37 -0.02 -1.26 -4.39 135.00 130.78 3gqy n PRO 302 Ca -0.07 0.50 0.05 0.00 -2.02 0.00 0.00 63.50 61.96 3gqy n PRO 302 Cb 0.60 -2.11 0.50 0.00 -0.02 0.00 0.00 33.50 32.47 3gqy n PRO 302 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3gqy h ALA 303 N 4.27 1.81 0.00 3.55 0.00 -1.91 -0.26 119.26 126.72 3gqy h ALA 303 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gqy h ALA 303 Cb 1.32 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 19.00 3gqy h ALA 303 CO 0.76 0.18 0.00 -0.85 0.00 0.00 0.00 179.25 179.34 3gqy n GLU 304 N -4.50 0.08 0.00 0.00 0.00 -1.26 -2.60 120.64 112.36 3gqy n GLU 304 Ca 0.01 0.46 0.11 0.00 0.00 0.00 0.00 57.16 57.73 3gqy n GLU 304 Cb 0.07 -1.70 -0.05 0.00 0.00 0.00 0.00 31.44 29.75 3gqy n GLU 304 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 3gqy n LYS 305 N -1.86 0.51 -0.34 3.44 5.02 -0.11 -4.54 118.16 120.29 3gqy n LYS 305 Ca 0.01 -0.42 0.01 0.00 -2.02 0.00 0.00 58.31 55.89 3gqy n LYS 305 Cb 0.10 -1.49 0.18 0.00 -0.02 0.00 0.00 35.03 33.80 3gqy n LYS 305 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 3gqy h VAL 306 N 1.03 1.14 -0.20 -0.18 2.07 -1.57 -1.88 116.25 116.66 3gqy h VAL 306 Ca 0.00 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.09 3gqy h VAL 306 Cb 0.61 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3gqy h VAL 306 CO 0.00 0.22 0.01 2.19 0.02 0.00 0.00 177.57 180.01 3gqy h PHE 307 N 1.19 0.28 0.04 1.57 -5.15 -1.81 0.11 116.94 113.17 3gqy h PHE 307 Ca 0.39 -0.01 -0.00 0.00 -0.20 0.00 0.00 57.97 58.15 3gqy h PHE 307 Cb 0.05 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 36.14 3gqy h PHE 307 CO -0.00 0.29 -0.02 -0.07 -2.00 0.00 0.00 178.31 176.51 3gqy h LEU 308 N 0.28 -0.05 -0.60 2.10 3.38 -1.65 -1.08 115.31 117.69 3gqy h LEU 308 Ca 0.07 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gqy h LEU 308 Cb 0.17 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 3gqy h LEU 308 CO 0.00 0.09 0.36 0.00 0.09 0.00 0.00 178.44 178.98 3gqy h ALA 309 N 0.77 0.77 0.00 1.53 0.00 -1.14 -0.62 119.26 120.57 3gqy h ALA 309 Ca -0.01 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.84 3gqy h ALA 309 Cb 0.16 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3gqy h ALA 309 CO 0.01 0.25 -0.04 0.37 0.00 0.00 0.00 179.25 179.83 3gqy h GLN 310 N 0.81 -0.08 -0.36 0.00 4.15 -0.74 -0.55 115.11 118.34 3gqy h GLN 310 Ca 0.22 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.52 3gqy h GLN 310 Cb -0.02 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3gqy h GLN 310 CO -0.04 -0.05 -0.25 0.87 -1.93 0.00 0.00 178.83 177.42 3gqy h LYS 311 N -0.08 0.74 -0.05 1.69 1.57 -1.02 -0.36 116.57 119.06 3gqy h LYS 311 Ca 0.02 -0.31 -0.00 0.00 -1.87 0.00 0.00 60.65 58.49 3gqy h LYS 311 Cb 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 3gqy h LYS 311 CO -0.05 0.92 0.03 1.98 -0.57 0.00 0.00 179.45 181.76 3gqy h MET 312 N 0.64 0.08 -0.34 3.15 4.05 -1.00 -0.74 114.93 120.77 3gqy h MET 312 Ca 0.08 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.43 3gqy h MET 312 Cb 0.76 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.54 3gqy h MET 312 CO 0.06 0.15 -0.04 0.52 0.23 0.00 0.00 176.91 177.82 3gqy h MET 313 N -0.01 0.63 -0.65 0.39 2.86 -0.94 -0.90 114.93 116.31 3gqy h MET 313 Ca 0.02 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 3gqy h MET 313 Cb 0.09 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 3gqy h MET 313 CO -0.00 0.78 0.43 0.82 1.06 0.00 0.00 176.91 179.99 3gqy h ILE 314 N 0.42 1.17 -0.00 -1.22 2.04 -1.06 -0.71 117.51 118.15 3gqy h ILE 314 Ca 0.09 -0.32 0.01 0.00 1.00 0.00 0.00 64.86 65.64 3gqy h ILE 314 Cb 0.52 0.22 -0.02 0.00 -0.74 0.00 0.00 36.82 36.81 3gqy h ILE 314 CO 0.03 0.17 -0.07 1.23 0.00 0.00 0.00 178.15 179.50 3gqy h GLY 315 N 0.88 -0.08 1.21 5.37 0.00 -0.93 -0.52 103.07 109.01 3gqy h GLY 315 Ca 0.24 0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.60 3gqy h GLY 315 CO -0.05 -0.08 0.18 3.21 0.00 0.00 0.00 176.54 179.80 3gqy h ARG 316 N -0.13 0.99 -0.49 4.80 3.08 -0.99 -0.29 114.38 121.35 3gqy h ARG 316 Ca 0.03 -0.21 -0.05 0.00 0.07 0.00 0.00 59.98 59.82 3gqy h ARG 316 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 3gqy h ARG 316 CO -0.08 0.86 0.10 0.00 -1.07 0.00 0.00 179.97 179.79 3gqy h ASN 318 N 0.68 0.72 -0.94 0.00 -0.26 -0.77 0.22 115.58 115.24 3gqy h ASN 318 Ca 0.15 -0.05 0.03 0.00 -0.56 0.00 0.00 56.30 55.87 3gqy h ASN 318 Cb 0.35 -0.18 -0.05 0.00 -1.06 0.00 0.00 38.32 37.38 3gqy h ASN 318 CO 0.00 0.56 0.62 -0.09 -1.06 0.00 0.00 177.43 177.46 3gqy h ARG 319 N 0.83 1.17 0.00 0.81 2.43 -0.76 -2.62 114.38 116.24 3gqy h ARG 319 Ca 0.22 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.32 3gqy h ARG 319 Cb -0.04 -0.26 0.00 0.00 -0.42 0.00 0.00 29.97 29.25 3gqy h ARG 319 CO -0.04 0.77 -0.36 0.00 -1.51 0.00 0.00 179.97 178.83 3gqy n ALA 320 N -2.39 3.01 -2.15 2.80 0.00 -0.13 -4.95 120.51 116.70 3gqy n ALA 320 Ca 0.12 -0.24 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 3gqy n ALA 320 Cb 0.08 -1.25 -0.01 0.00 0.00 0.00 0.00 19.45 18.27 3gqy n ALA 320 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gqy n GLY 321 N 1.45 -0.00 3.65 0.00 0.00 0.63 -5.03 105.19 105.88 3gqy n GLY 321 Ca 0.05 -0.38 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3gqy n GLY 321 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gqy s LYS 322 N -4.46 2.83 0.40 1.61 1.02 -0.41 -4.89 119.74 115.84 3gqy s LYS 322 Ca 0.00 -0.52 -0.27 0.00 0.02 0.00 0.00 55.97 55.20 3gqy s LYS 322 Cb 0.00 -2.68 -0.10 0.00 -0.52 0.00 0.00 37.83 34.53 3gqy s LYS 322 CO 0.00 0.66 1.44 -2.14 -0.92 0.00 0.00 175.35 174.39 3gqy s PRO 323 N -1.07 3.95 -0.03 -1.68 0.02 -1.26 -4.38 135.00 130.56 3gqy s PRO 323 Ca 0.15 2.46 0.02 0.00 0.02 0.00 0.00 61.00 63.65 3gqy s PRO 323 Cb -0.11 -2.84 0.00 0.00 0.02 0.00 0.00 34.50 31.57 3gqy s PRO 323 CO 0.04 -0.62 -0.09 0.54 -0.33 0.00 0.00 177.00 176.55 3gqy s VAL 324 N -1.16 0.75 -0.12 3.83 0.11 -1.26 -0.95 120.40 121.59 3gqy s VAL 324 Ca 0.56 -0.34 -0.02 0.00 -2.93 0.00 0.00 61.98 59.25 3gqy s VAL 324 Cb -0.44 -0.67 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 3gqy s VAL 324 CO 0.59 0.24 -0.06 -0.63 -3.33 0.00 0.00 175.10 171.91 3gqy s ILE 325 N 0.22 3.73 -0.16 7.04 1.01 0.01 -1.08 121.20 131.98 3gqy s ILE 325 Ca -0.03 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.07 3gqy s ILE 325 Cb -0.09 -2.59 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 3gqy s ILE 325 CO 0.00 0.54 0.21 0.00 0.00 0.00 0.00 174.94 175.68 3gqy s ALA 327 N 0.05 0.38 0.00 0.00 0.00 -1.17 -1.82 121.76 119.20 3gqy s ALA 327 Ca 0.13 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.49 3gqy s ALA 327 Cb -0.12 0.06 0.00 0.00 0.00 0.00 0.00 23.12 23.05 3gqy s ALA 327 CO 0.02 -0.05 0.00 2.41 0.00 0.00 0.00 175.76 178.14 3gqy n THR 328 N 1.78 -0.62 -1.72 0.00 -1.04 -1.26 -3.51 114.28 107.90 3gqy n THR 328 Ca -0.21 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.63 3gqy n THR 328 Cb 0.55 -0.74 -0.06 0.00 -1.82 0.00 0.00 70.33 68.27 3gqy n THR 328 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3gqy n GLN 329 N 2.07 -1.23 -0.28 -2.82 6.02 -1.26 -4.84 117.38 115.03 3gqy n GLN 329 Ca 0.00 1.03 -0.05 0.00 -0.01 0.00 0.00 57.00 57.96 3gqy n GLN 329 Cb 0.00 -5.31 0.06 0.00 1.02 0.00 0.00 30.24 26.01 3gqy n GLN 329 CO 0.00 0.00 0.00 0.52 -1.01 0.00 0.00 177.06 176.57 3gqy h MET 330 N 0.00 1.11 -0.80 -1.09 2.86 -1.89 -3.17 114.93 111.96 3gqy h MET 330 Ca -0.36 -0.16 -0.43 0.00 -2.06 0.00 0.00 59.70 56.68 3gqy h MET 330 Cb 1.16 -0.20 -0.41 0.00 0.06 0.00 0.00 31.60 32.21 3gqy h MET 330 CO 0.50 0.86 -0.95 1.28 1.06 0.00 0.00 176.91 179.66 3gqy n LEU 331 N -4.38 3.36 -0.28 1.22 4.77 -1.26 -4.51 117.00 115.91 3gqy n LEU 331 Ca 0.07 -4.13 0.03 0.00 -0.03 0.00 0.00 56.01 51.95 3gqy n LEU 331 Cb 0.13 0.01 0.16 0.00 -2.33 0.00 0.00 43.42 41.39 3gqy n LEU 331 CO 0.39 1.71 1.12 -0.08 -1.33 0.00 0.00 177.39 179.20 3gqy h GLU 332 N 2.49 0.71 0.00 3.23 4.57 -1.95 -1.05 114.58 122.57 3gqy h GLU 332 Ca 0.13 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 3gqy h GLU 332 Cb 1.31 -0.16 -0.00 0.00 -0.16 0.00 0.00 28.75 29.74 3gqy h GLU 332 CO 0.55 0.47 -0.01 0.66 -1.18 0.00 0.00 179.01 179.50 3gqy h SER 333 N 0.73 0.00 0.34 1.04 4.64 -1.93 -1.72 113.55 116.64 3gqy h SER 333 Ca 0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.71 3gqy h SER 333 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 3gqy h SER 333 CO -0.26 0.01 0.00 0.23 -0.87 0.00 0.00 176.83 175.94 3gqy n MET 334 N -3.27 0.33 -0.18 4.77 2.81 -0.40 -1.10 117.12 120.07 3gqy n MET 334 Ca -0.03 0.09 0.01 0.00 -1.81 0.00 0.00 57.70 55.96 3gqy n MET 334 Cb 0.11 -1.50 0.27 0.00 -0.71 0.00 0.00 33.22 31.39 3gqy n MET 334 CO 0.00 0.00 0.00 0.82 1.51 0.00 0.00 175.97 178.30 3gqy h ILE 335 N 0.00 1.18 0.00 2.02 2.04 -1.47 -3.33 117.51 117.95 3gqy h ILE 335 Ca 0.00 -0.34 -0.09 0.00 1.00 0.00 0.00 64.86 65.44 3gqy h ILE 335 Cb 0.17 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 3gqy h ILE 335 CO 0.00 0.18 -1.64 0.29 0.00 0.00 0.00 178.15 176.97 3gqy n LYS 336 N -4.43 1.11 -4.26 2.37 5.02 -0.83 -1.33 118.16 115.81 3gqy n LYS 336 Ca 0.07 -0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 3gqy n LYS 336 Cb 0.04 -1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.64 3gqy n LYS 336 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 3gqy s LYS 337 N -2.60 1.07 0.00 1.97 1.02 -0.26 -4.94 119.74 116.00 3gqy s LYS 337 Ca -0.05 -1.13 0.29 0.00 0.02 0.00 0.00 55.97 55.11 3gqy s LYS 337 Cb 0.06 -1.27 1.36 0.00 -0.52 0.00 0.00 37.83 37.46 3gqy s LYS 337 CO 0.49 0.29 1.98 -0.35 -0.92 0.00 0.00 175.35 176.84 3gqy n PRO 338 N 1.10 0.19 -4.30 -1.68 -0.04 -1.26 -4.06 135.00 124.95 3gqy n PRO 338 Ca -0.20 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.07 3gqy n PRO 338 Cb 0.54 -1.50 -0.13 0.00 -0.04 0.00 0.00 33.50 32.37 3gqy n PRO 338 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3gqy s ARG 339 N -2.81 0.90 0.68 0.54 3.00 -1.26 -4.93 118.95 115.07 3gqy s ARG 339 Ca 0.20 -0.82 -0.09 0.00 0.00 0.00 0.00 55.73 55.03 3gqy s ARG 339 Cb 0.19 -0.92 0.03 0.00 0.00 0.00 0.00 34.95 34.26 3gqy s ARG 339 CO 0.50 0.22 1.02 -1.25 0.00 0.00 0.00 175.30 175.79 3gqy s PRO 340 N -1.32 2.64 0.86 3.54 0.04 -1.26 -4.60 135.00 134.90 3gqy s PRO 340 Ca 0.01 0.12 -0.12 0.00 0.04 0.00 0.00 61.00 61.05 3gqy s PRO 340 Cb -0.08 -2.13 0.11 0.00 0.04 0.00 0.00 34.50 32.44 3gqy s PRO 340 CO 0.02 -1.03 1.10 0.95 0.04 0.00 0.00 177.00 178.08 3gqy s THR 341 N -3.24 2.67 0.30 1.26 -4.23 -1.26 -4.90 115.64 106.24 3gqy s THR 341 Ca 0.57 0.22 0.10 0.00 -1.18 0.00 0.00 61.69 61.40 3gqy s THR 341 Cb -0.11 -2.87 0.02 0.00 1.34 0.00 0.00 72.50 70.89 3gqy s THR 341 CO 0.48 -0.28 1.69 0.03 -0.54 0.00 0.00 174.62 175.99 3gqy h ARG 342 N -1.37 0.05 -0.41 3.99 2.47 -2.00 -2.17 114.38 114.95 3gqy h ARG 342 Ca -0.49 -0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.12 3gqy h ARG 342 Cb 1.29 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.59 3gqy h ARG 342 CO 0.58 0.55 -0.06 0.00 0.56 0.00 0.00 179.97 181.60 3gqy h ALA 343 N 1.44 1.12 -0.23 0.04 0.00 -1.98 -1.72 119.26 117.94 3gqy h ALA 343 Ca -0.00 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.54 3gqy h ALA 343 Cb 0.92 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 3gqy h ALA 343 CO 0.07 0.56 -0.21 0.93 0.00 0.00 0.00 179.25 180.60 3gqy h GLU 344 N 0.65 0.54 -0.59 0.00 5.08 -1.70 0.33 114.58 118.89 3gqy h GLU 344 Ca 0.12 -0.28 0.06 0.00 -1.00 0.00 0.00 59.36 58.26 3gqy h GLU 344 Cb 0.50 0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.70 3gqy h GLU 344 CO 0.03 0.86 0.29 0.78 -1.00 0.00 0.00 179.01 179.96 3gqy h GLY 345 N 0.23 0.84 0.96 -3.84 0.00 -1.34 -2.15 103.07 97.77 3gqy h GLY 345 Ca 0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 3gqy h GLY 345 CO 0.05 0.09 0.16 0.23 0.00 0.00 0.00 176.54 177.08 3gqy h SER 346 N 0.54 0.37 -0.58 0.19 0.87 -1.19 -2.52 113.55 111.22 3gqy h SER 346 Ca 0.27 -0.09 0.02 0.00 -1.23 0.00 0.00 61.79 60.76 3gqy h SER 346 Cb 0.21 -0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.04 3gqy h SER 346 CO -0.20 0.35 0.37 -0.78 -0.53 0.00 0.00 176.83 176.04 3gqy h ASP 347 N 0.36 0.61 -0.18 6.23 3.58 -0.52 -0.16 116.42 126.34 3gqy h ASP 347 Ca 0.10 -0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.54 3gqy h ASP 347 Cb 0.06 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 40.97 3gqy h ASP 347 CO -0.02 0.43 0.07 0.58 -2.88 0.00 0.00 179.24 177.42 3gqy h VAL 348 N 0.73 1.17 -0.73 2.25 2.07 -1.36 -1.18 116.25 119.20 3gqy h VAL 348 Ca 0.23 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 3gqy h VAL 348 Cb -0.01 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 3gqy h VAL 348 CO -0.08 0.16 0.43 0.00 0.02 0.00 0.00 177.57 178.09 3gqy h ALA 349 N 0.91 0.93 0.00 1.67 0.00 -1.14 -2.68 119.26 118.95 3gqy h ALA 349 Ca 0.06 -0.10 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gqy h ALA 349 Cb 0.19 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3gqy h ALA 349 CO -0.00 0.42 -0.52 -0.91 0.00 0.00 0.00 179.25 178.23 3gqy h ASN 350 N 1.00 0.00 -0.60 0.00 2.35 -0.92 -0.42 115.58 116.99 3gqy h ASN 350 Ca 0.26 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 56.00 3gqy h ASN 350 Cb -0.01 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.33 3gqy h ASN 350 CO -0.05 0.52 0.33 0.00 -1.65 0.00 0.00 177.43 176.58 3gqy h ALA 351 N 1.48 0.77 -0.16 -0.83 0.00 -0.93 0.11 119.26 119.70 3gqy h ALA 351 Ca -0.01 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3gqy h ALA 351 Cb 0.96 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3gqy h ALA 351 CO 0.07 0.29 0.00 0.28 0.00 0.00 0.00 179.25 179.89 3gqy h VAL 352 N 0.81 1.25 -0.24 0.00 2.07 -1.14 -1.36 116.25 117.64 3gqy h VAL 352 Ca 0.21 -0.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.88 3gqy h VAL 352 Cb 0.05 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 3gqy h VAL 352 CO -0.03 0.25 0.07 -0.07 0.02 0.00 0.00 177.57 177.80 3gqy h LEU 353 N 0.03 0.30 -1.36 2.57 3.38 -0.96 -1.95 115.31 117.31 3gqy h LEU 353 Ca 0.05 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3gqy h LEU 353 Cb 0.37 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3gqy h LEU 353 CO 0.01 0.30 -0.08 0.44 0.09 0.00 0.00 178.44 179.20 3gqy h ASP 354 N 0.33 0.30 0.00 -0.43 3.32 -0.62 -3.47 116.42 115.85 3gqy h ASP 354 Ca 0.08 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gqy h ASP 354 Cb 0.12 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3gqy h ASP 354 CO -0.00 0.43 0.00 0.61 -1.72 0.00 0.00 179.24 178.55 3gqy n GLY 355 N -0.90 1.07 3.72 2.75 0.00 -0.73 -4.68 105.19 106.42 3gqy n GLY 355 Ca -0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 3gqy n GLY 355 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqy s ALA 356 N -1.73 3.90 0.16 4.61 0.00 -0.54 -4.90 121.76 123.27 3gqy s ALA 356 Ca 0.00 1.54 -0.08 0.00 0.00 0.00 0.00 51.96 53.43 3gqy s ALA 356 Cb 0.00 -3.68 0.02 0.00 0.00 0.00 0.00 23.12 19.46 3gqy s ALA 356 CO 0.00 -0.89 1.47 -0.44 0.00 0.00 0.00 175.76 175.90 3gqy h ASP 357 N 6.76 0.84 -4.45 0.00 3.32 -1.41 -3.44 116.42 118.03 3gqy h ASP 357 Ca -0.43 -0.43 -0.31 0.00 0.02 0.00 0.00 57.03 55.88 3gqy h ASP 357 Cb 1.20 -0.24 -0.18 0.00 0.22 0.00 0.00 39.33 40.33 3gqy h ASP 357 CO 0.95 1.19 -0.73 0.00 -1.72 0.00 0.00 179.24 178.92 3gqy s ILE 359 N -2.28 2.03 0.11 0.00 -4.36 -0.47 -1.48 121.20 114.75 3gqy s ILE 359 Ca 0.03 -1.96 0.06 0.00 -0.26 0.00 0.00 60.65 58.52 3gqy s ILE 359 Cb -0.04 -1.95 -0.04 0.00 1.25 0.00 0.00 42.46 41.68 3gqy s ILE 359 CO -0.00 -0.24 -0.14 -0.32 0.24 0.00 0.00 174.94 174.48 3gqy s MET 360 N -2.75 0.98 -0.05 0.37 1.75 -0.76 -1.51 119.30 117.34 3gqy s MET 360 Ca 0.18 -1.17 0.04 0.00 -1.25 0.00 0.00 55.69 53.49 3gqy s MET 360 Cb -0.07 -0.91 -0.00 0.00 2.84 0.00 0.00 34.83 36.70 3gqy s MET 360 CO 0.08 0.18 -0.17 -0.51 -0.65 0.00 0.00 175.02 173.95 3gqy s LEU 361 N -2.27 1.89 0.00 4.11 1.43 -0.23 -4.54 118.68 119.08 3gqy s LEU 361 Ca 0.06 -0.37 0.00 0.00 -1.03 0.00 0.00 54.13 52.80 3gqy s LEU 361 Cb -0.06 -0.99 0.00 0.00 0.03 0.00 0.00 46.19 45.16 3gqy s LEU 361 CO 0.03 0.14 0.00 -1.20 0.23 0.00 0.00 176.35 175.55 3gqy n SER 362 N 3.28 0.00 -0.19 2.29 7.64 -1.26 -1.10 113.62 124.28 3gqy n SER 362 Ca -0.19 0.00 0.28 0.00 1.01 0.00 0.00 58.87 59.97 3gqy n SER 362 Cb 0.53 0.00 0.70 0.00 -1.01 0.00 0.00 64.21 64.43 3gqy n SER 362 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 3gqy h GLY 363 N 0.00 0.11 0.88 0.23 0.00 -1.97 -0.87 103.07 101.46 3gqy h GLY 363 Ca 0.00 -0.02 0.09 0.00 0.00 0.00 0.00 47.33 47.40 3gqy h GLY 363 CO 0.00 -0.00 0.50 0.83 0.00 0.00 0.00 176.54 177.87 3gqy h GLU 364 N 0.05 0.69 0.00 4.80 3.07 -1.89 -0.29 114.58 121.01 3gqy h GLU 364 Ca 0.43 -0.04 -0.06 0.00 -0.50 0.00 0.00 59.36 59.19 3gqy h GLU 364 Cb 1.65 -0.16 -0.01 0.00 -0.84 0.00 0.00 28.75 29.40 3gqy h GLU 364 CO -0.03 0.46 -1.62 0.25 -1.40 0.00 0.00 179.01 176.67 3gqy n THR 365 N -4.50 0.22 -0.02 1.13 -2.24 -0.74 -3.83 114.28 104.30 3gqy n THR 365 Ca 0.13 -0.34 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3gqy n THR 365 Cb 0.31 -0.04 -0.10 0.00 -2.10 0.00 0.00 70.33 68.40 3gqy n THR 365 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gqy h ALA 366 N 0.96 -0.03 0.00 6.98 0.00 -0.68 -3.32 119.26 123.18 3gqy h ALA 366 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gqy h ALA 366 Cb 0.88 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.68 3gqy h ALA 366 CO 0.00 -0.20 -0.47 1.63 0.00 0.00 0.00 179.25 180.21 3gqy n LYS 367 N -4.80 2.78 -1.19 0.00 5.02 -0.83 -0.47 118.16 118.67 3gqy n LYS 367 Ca -0.09 0.00 -0.29 0.00 -2.02 0.00 0.00 58.31 55.92 3gqy n LYS 367 Cb 0.31 -0.69 0.18 0.00 -0.02 0.00 0.00 35.03 34.81 3gqy n LYS 367 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gqy s GLY 368 N -1.15 1.56 0.05 0.72 0.00 -0.18 -4.71 107.32 103.61 3gqy s GLY 368 Ca 0.00 -0.43 0.26 0.00 0.00 0.00 0.00 44.72 44.55 3gqy s GLY 368 CO 0.00 0.20 1.60 1.22 0.00 0.00 0.00 173.10 176.12 3gqy n ASP 369 N -4.20 0.42 -3.07 1.64 8.00 -0.44 -4.33 116.55 114.56 3gqy n ASP 369 Ca 0.05 0.16 -0.20 0.00 0.71 0.00 0.00 54.79 55.51 3gqy n ASP 369 Cb 0.58 -0.12 -0.03 0.00 -0.02 0.00 0.00 41.12 41.52 3gqy n ASP 369 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3gqy n TYR 370 N -1.71 1.43 -0.11 1.24 4.01 -1.26 -4.95 117.16 115.81 3gqy n TYR 370 Ca 0.06 -3.80 -0.10 0.00 -0.16 0.00 0.00 57.90 53.90 3gqy n TYR 370 Cb 0.37 -0.43 -0.02 0.00 -0.31 0.00 0.00 39.34 38.95 3gqy n TYR 370 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 3gqy h PRO 371 N 2.98 0.49 -0.52 -0.72 0.13 -1.75 -2.08 132.00 130.53 3gqy h PRO 371 Ca 0.10 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 65.06 3gqy h PRO 371 Cb 0.84 -0.08 -0.02 0.00 0.13 0.00 0.00 31.00 31.88 3gqy h PRO 371 CO 0.60 0.49 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.78 3gqy h LEU 372 N 0.39 0.92 -1.05 1.56 3.38 -1.92 -2.03 115.31 116.56 3gqy h LEU 372 Ca 0.11 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.77 3gqy h LEU 372 Cb 0.18 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.64 3gqy h LEU 372 CO -0.01 1.01 0.53 -0.33 0.09 0.00 0.00 178.44 179.73 3gqy h GLU 373 N 0.80 1.18 -0.55 1.13 3.07 -1.93 -0.19 114.58 118.10 3gqy h GLU 373 Ca 0.15 -0.10 -0.05 0.00 -0.50 0.00 0.00 59.36 58.86 3gqy h GLU 373 Cb 0.54 -0.25 -0.02 0.00 -0.84 0.00 0.00 28.75 28.18 3gqy h GLU 373 CO 0.03 0.82 0.16 0.00 -1.40 0.00 0.00 179.01 178.63 3gqy h ALA 374 N 1.38 0.72 -0.38 3.43 0.00 -0.98 -0.55 119.26 122.89 3gqy h ALA 374 Ca 0.31 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3gqy h ALA 374 Cb -0.06 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3gqy h ALA 374 CO -0.06 0.39 0.05 0.28 0.00 0.00 0.00 179.25 179.91 3gqy h VAL 375 N 0.77 1.25 -0.57 0.00 2.07 -0.92 -2.16 116.25 116.69 3gqy h VAL 375 Ca 0.18 -0.89 -0.02 0.00 0.82 0.00 0.00 66.70 66.78 3gqy h VAL 375 Cb 0.29 1.09 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3gqy h VAL 375 CO -0.00 0.30 0.26 0.03 0.02 0.00 0.00 177.57 178.17 3gqy h ARG 376 N 0.48 0.80 -0.25 1.57 3.08 -0.87 -1.92 114.38 117.28 3gqy h ARG 376 Ca 0.11 -0.11 -0.14 0.00 0.07 0.00 0.00 59.98 59.92 3gqy h ARG 376 Cb 0.39 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.29 3gqy h ARG 376 CO 0.01 0.64 -0.38 1.98 -1.07 0.00 0.00 179.97 181.15 3gqy h MET 377 N 0.80 0.70 -0.83 0.04 4.05 -0.91 -1.10 114.93 117.68 3gqy h MET 377 Ca 0.20 -0.42 0.03 0.00 -0.28 0.00 0.00 59.70 59.23 3gqy h MET 377 Cb 0.11 0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 30.90 3gqy h MET 377 CO -0.02 1.04 0.54 1.96 0.23 0.00 0.00 176.91 180.65 3gqy h GLN 378 N 0.42 1.02 0.06 0.39 4.20 -1.19 -0.76 115.11 119.25 3gqy h GLN 378 Ca 0.02 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.68 3gqy h GLN 378 Cb 0.97 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 28.50 3gqy h GLN 378 CO 0.09 0.67 -0.12 1.25 -0.67 0.00 0.00 178.83 180.06 3gqy h HIS 379 N 1.05 -0.30 -0.41 2.96 2.76 -1.20 0.15 115.15 120.17 3gqy h HIS 379 Ca 0.33 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.48 3gqy h HIS 379 Cb -0.01 0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.06 3gqy h HIS 379 CO -0.02 -0.18 0.17 -0.07 -1.30 0.00 0.00 177.93 176.52 3gqy h LEU 380 N -0.23 0.57 -0.26 0.26 3.38 -0.93 -1.23 115.31 116.87 3gqy h LEU 380 Ca 0.02 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.77 3gqy h LEU 380 Cb 0.25 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3gqy h LEU 380 CO -0.08 0.58 -0.07 0.40 0.09 0.00 0.00 178.44 179.36 3gqy h ILE 381 N 0.52 1.29 -0.46 1.22 2.04 -1.08 -2.48 117.51 118.55 3gqy h ILE 381 Ca 0.14 -1.10 0.06 0.00 1.00 0.00 0.00 64.86 64.96 3gqy h ILE 381 Cb 0.19 1.46 -0.05 0.00 -0.74 0.00 0.00 36.82 37.68 3gqy h ILE 381 CO -0.01 0.34 0.17 0.00 0.00 0.00 0.00 178.15 178.66 3gqy h ALA 382 N 0.76 0.56 -0.54 1.87 0.00 -0.53 -0.49 119.26 120.90 3gqy h ALA 382 Ca 0.07 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3gqy h ALA 382 Cb 0.55 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3gqy h ALA 382 CO 0.03 -0.21 0.27 -0.09 0.00 0.00 0.00 179.25 179.24 3gqy h ARG 383 N 0.35 0.76 -0.44 0.00 2.43 -1.16 -0.66 114.38 115.67 3gqy h ARG 383 Ca 0.22 -0.11 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3gqy h ARG 383 Cb 0.21 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 3gqy h ARG 383 CO -0.21 0.62 0.22 0.93 -1.51 0.00 0.00 179.97 180.02 3gqy h GLU 384 N 0.72 0.63 -0.62 0.20 4.39 -1.07 -3.01 114.58 115.81 3gqy h GLU 384 Ca 0.19 -0.09 -0.08 0.00 0.34 0.00 0.00 59.36 59.72 3gqy h GLU 384 Cb 0.10 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.61 3gqy h GLU 384 CO -0.03 0.52 0.08 0.00 -1.16 0.00 0.00 179.01 178.43 3gqy h ALA 385 N 1.07 0.96 -0.86 3.43 0.00 -0.70 -2.63 119.26 120.53 3gqy h ALA 385 Ca 0.15 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3gqy h ALA 385 Cb 0.10 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3gqy h ALA 385 CO -0.02 0.65 0.45 0.93 0.00 0.00 0.00 179.25 181.26 3gqy h GLU 386 N 0.97 1.20 -0.08 0.00 5.08 -1.11 -1.42 114.58 119.23 3gqy h GLU 386 Ca 0.19 -0.15 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 3gqy h GLU 386 Cb 0.45 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3gqy h GLU 386 CO 0.01 0.89 -0.15 0.00 -1.00 0.00 0.00 179.01 178.77 3gqy h ALA 387 N 1.29 1.61 -0.01 3.43 0.00 -1.36 -2.95 119.26 121.27 3gqy h ALA 387 Ca 0.30 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3gqy h ALA 387 Cb 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3gqy h ALA 387 CO -0.04 0.28 0.00 0.00 0.00 0.00 0.00 179.25 179.49 3gqy n ALA 388 N -2.50 2.62 -1.77 0.00 0.00 -0.56 -4.48 120.51 113.82 3gqy n ALA 388 Ca -0.02 -0.34 -0.40 0.00 0.00 0.00 0.00 53.44 52.69 3gqy n ALA 388 Cb 0.25 -1.32 -0.01 0.00 0.00 0.00 0.00 19.45 18.37 3gqy n ALA 388 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3gqy s ILE 389 N -2.00 2.65 -1.22 0.00 1.01 -1.04 -4.93 121.20 115.67 3gqy s ILE 389 Ca 0.42 0.61 -0.12 0.00 0.00 0.00 0.00 60.65 61.57 3gqy s ILE 389 Cb 0.21 -3.37 0.18 0.00 0.01 0.00 0.00 42.46 39.49 3gqy s ILE 389 CO 0.35 0.12 1.56 0.00 0.00 0.00 0.00 174.94 176.97 3gqy n TYR 390 N 0.41 4.21 0.03 3.97 9.36 -1.26 -4.85 117.16 129.03 3gqy n TYR 390 Ca 0.02 -3.18 0.03 0.00 3.32 0.00 0.00 57.90 58.10 3gqy n TYR 390 Cb 0.43 -2.04 0.42 0.00 -0.63 0.00 0.00 39.34 37.51 3gqy n TYR 390 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 3gqy h HIS 391 N 6.57 0.47 -0.21 2.98 3.86 -1.91 -2.12 115.15 124.77 3gqy h HIS 391 Ca 0.33 -0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.59 3gqy h HIS 391 Cb 0.78 -0.15 -0.07 0.00 1.06 0.00 0.00 27.41 29.02 3gqy h HIS 391 CO 1.12 0.34 -0.45 1.25 0.86 0.00 0.00 177.93 181.06 3gqy h LEU 392 N 0.49 -1.42 -0.16 2.43 5.85 -1.89 0.32 115.31 120.93 3gqy h LEU 392 Ca 0.13 0.19 -0.16 0.00 0.84 0.00 0.00 57.88 58.87 3gqy h LEU 392 Cb 0.03 0.59 0.01 0.00 0.37 0.00 0.00 40.66 41.65 3gqy h LEU 392 CO -0.02 -0.42 -0.54 -0.61 -0.34 0.00 0.00 178.44 176.52 3gqy h GLN 393 N -0.46 0.65 0.08 1.25 4.15 -1.90 -2.59 115.11 116.29 3gqy h GLN 393 Ca 0.09 -0.48 0.02 0.00 0.77 0.00 0.00 58.65 59.04 3gqy h GLN 393 Cb 0.62 0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.37 3gqy h GLN 393 CO -0.46 1.10 -0.20 1.25 -1.93 0.00 0.00 178.83 178.60 3gqy h LEU 394 N 0.33 -0.57 -0.60 -2.39 5.85 -1.06 -0.58 115.31 116.29 3gqy h LEU 394 Ca -0.02 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 3gqy h LEU 394 Cb 1.16 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 3gqy h LEU 394 CO 0.11 -0.28 0.22 0.15 -0.34 0.00 0.00 178.44 178.31 3gqy h PHE 395 N -0.36 0.94 -0.62 1.25 3.04 -0.46 -0.94 116.94 119.78 3gqy h PHE 395 Ca 0.04 -0.08 0.10 0.00 3.98 0.00 0.00 57.97 62.01 3gqy h PHE 395 Cb 0.40 -0.28 -0.08 0.00 2.56 0.00 0.00 35.95 38.56 3gqy h PHE 395 CO -0.21 0.76 0.22 0.93 -2.02 0.00 0.00 178.31 177.98 3gqy h GLU 396 N 0.85 0.37 -0.20 1.11 5.08 -1.12 -1.33 114.58 119.34 3gqy h GLU 396 Ca 0.20 -0.02 -0.12 0.00 -1.00 0.00 0.00 59.36 58.41 3gqy h GLU 396 Cb 0.23 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.40 3gqy h GLU 396 CO -0.01 0.25 -0.36 0.93 -1.00 0.00 0.00 179.01 178.81 3gqy h GLU 397 N 0.38 0.59 -0.88 2.33 5.08 -0.73 -2.32 114.58 119.04 3gqy h GLU 397 Ca 0.32 -0.37 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3gqy h GLU 397 Cb 0.41 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.64 3gqy h GLU 397 CO -0.33 0.98 0.55 -0.07 -1.00 0.00 0.00 179.01 179.14 3gqy h LEU 398 N 0.27 0.86 0.55 1.33 3.38 -0.93 -1.61 115.31 119.16 3gqy h LEU 398 Ca 0.01 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3gqy h LEU 398 Cb 0.95 -0.16 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3gqy h LEU 398 CO 0.08 0.55 -0.26 0.03 0.09 0.00 0.00 178.44 178.93 3gqy h ARG 399 N 0.99 -0.71 -1.00 1.13 3.08 -1.20 -0.32 114.38 116.35 3gqy h ARG 399 Ca 0.38 0.05 0.16 0.00 0.07 0.00 0.00 59.98 60.65 3gqy h ARG 399 Cb 0.18 0.16 -0.10 0.00 0.08 0.00 0.00 29.97 30.29 3gqy h ARG 399 CO -0.18 -0.46 0.62 0.00 -1.07 0.00 0.00 179.97 178.89 3gqy h ARG 400 N -0.76 0.82 -0.01 0.04 3.08 -1.18 0.19 114.38 116.56 3gqy h ARG 400 Ca -0.07 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.93 3gqy h ARG 400 Cb 0.57 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3gqy h ARG 400 CO 0.12 0.54 -0.11 1.28 -1.07 0.00 0.00 179.97 180.74 3gqy n LEU 401 N -4.71 1.07 -4.61 3.04 4.77 -0.63 -4.83 117.00 111.10 3gqy n LEU 401 Ca 0.22 -0.30 -0.43 0.00 -0.03 0.00 0.00 56.01 55.47 3gqy n LEU 401 Cb 0.49 -0.07 -0.02 0.00 -2.33 0.00 0.00 43.42 41.49 3gqy n LEU 401 CO 0.24 0.19 1.29 0.00 -1.33 0.00 0.00 177.39 177.77 3gqy s ALA 402 N -2.25 3.15 0.25 -1.18 0.00 0.67 -4.97 121.76 117.42 3gqy s ALA 402 Ca 0.32 0.11 -0.31 0.00 0.00 0.00 0.00 51.96 52.08 3gqy s ALA 402 Cb 0.20 -3.89 -0.13 0.00 0.00 0.00 0.00 23.12 19.30 3gqy s ALA 402 CO 0.42 -2.18 1.43 -2.30 0.00 0.00 0.00 175.76 173.13 3gqy n PRO 403 N 7.85 2.12 -2.58 0.00 -0.02 -1.26 -4.93 135.00 136.19 3gqy n PRO 403 Ca 0.18 0.76 -0.43 0.00 -2.02 0.00 0.00 63.50 61.98 3gqy n PRO 403 Cb 0.47 -2.43 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 3gqy n PRO 403 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3gqy s ILE 404 N -0.09 4.23 0.27 4.25 1.09 -1.26 -5.00 121.20 124.68 3gqy s ILE 404 Ca 0.67 1.29 0.02 0.00 -1.10 0.00 0.00 60.65 61.54 3gqy s ILE 404 Cb -0.63 -4.51 -0.05 0.00 -1.06 0.00 0.00 42.46 36.21 3gqy s ILE 404 CO 0.50 -0.87 0.07 0.42 -0.10 0.00 0.00 174.94 174.96 3gqy s THR 405 N 4.40 0.79 -1.84 2.92 -4.23 -1.26 -5.05 115.64 111.38 3gqy s THR 405 Ca 0.49 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 59.29 3gqy s THR 405 Cb -0.09 -2.61 0.60 0.00 1.34 0.00 0.00 72.50 71.74 3gqy s THR 405 CO 0.28 -0.07 1.97 -1.54 -0.54 0.00 0.00 174.62 174.72 3gqy n SER 406 N -0.51 0.43 -4.65 3.99 3.41 -1.26 -4.90 113.62 110.15 3gqy n SER 406 Ca -0.02 -0.77 -0.42 0.00 -0.26 0.00 0.00 58.87 57.40 3gqy n SER 406 Cb 0.66 -0.07 -0.03 0.00 -0.26 0.00 0.00 64.21 64.51 3gqy n SER 406 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3gqy s ASP 407 N -2.29 6.40 0.17 4.04 -1.08 -1.26 -4.92 116.67 117.74 3gqy s ASP 407 Ca 0.35 2.15 -0.11 0.00 -0.52 0.00 0.00 52.55 54.42 3gqy s ASP 407 Cb 0.21 -2.53 0.08 0.00 -1.46 0.00 0.00 42.92 39.22 3gqy s ASP 407 CO 0.42 -1.16 1.72 -0.65 0.52 0.00 0.00 175.17 176.02 3gqy h PRO 408 N 10.75 0.92 -0.95 4.34 0.11 -1.90 -2.72 132.00 142.56 3gqy h PRO 408 Ca -0.41 -0.18 0.02 0.00 0.11 0.00 0.00 66.00 65.54 3gqy h PRO 408 Cb 1.19 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.11 3gqy h PRO 408 CO 0.96 0.80 0.63 1.79 -0.21 0.00 0.00 178.00 181.97 3gqy h THR 409 N 0.85 1.21 -0.33 -1.15 1.35 -1.91 0.13 112.91 113.06 3gqy h THR 409 Ca 0.20 -0.43 -0.06 0.00 -0.55 0.00 0.00 66.41 65.57 3gqy h THR 409 Cb 0.24 -0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.50 3gqy h THR 409 CO -0.01 0.23 -0.01 -0.33 -0.25 0.00 0.00 175.52 175.14 3gqy h GLU 410 N 1.26 0.60 -0.60 4.72 5.08 -1.86 -1.34 114.58 122.43 3gqy h GLU 410 Ca 0.36 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3gqy h GLU 410 Cb -0.09 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.08 3gqy h GLU 410 CO -0.09 0.73 0.14 0.00 -1.00 0.00 0.00 179.01 178.79 3gqy h ALA 411 N 0.84 1.11 -0.50 3.43 0.00 -1.17 -2.25 119.26 120.73 3gqy h ALA 411 Ca 0.09 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3gqy h ALA 411 Cb 0.47 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gqy h ALA 411 CO 0.02 0.59 0.09 1.15 0.00 0.00 0.00 179.25 181.11 3gqy h THR 412 N 0.90 1.25 -0.09 0.00 2.02 -0.86 -1.98 112.91 114.15 3gqy h THR 412 Ca 0.19 -0.91 -0.00 0.00 0.77 0.00 0.00 66.41 66.46 3gqy h THR 412 Cb 0.33 0.87 -0.00 0.00 -1.74 0.00 0.00 68.15 67.61 3gqy h THR 412 CO 0.00 0.33 0.05 0.00 0.37 0.00 0.00 175.52 176.27 3gqy h ALA 413 N 0.98 0.11 -0.44 6.16 0.00 -1.04 0.08 119.26 125.11 3gqy h ALA 413 Ca 0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 3gqy h ALA 413 Cb 0.38 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3gqy h ALA 413 CO 0.01 -0.36 -0.14 -0.24 0.00 0.00 0.00 179.25 178.51 3gqy h VAL 414 N 0.06 1.26 -0.72 0.00 3.04 -1.42 -1.54 116.25 116.93 3gqy h VAL 414 Ca 0.03 -1.24 0.01 0.00 -1.01 0.00 0.00 66.70 64.49 3gqy h VAL 414 Cb 0.06 1.08 -0.04 0.00 -2.01 0.00 0.00 31.29 30.38 3gqy h VAL 414 CO -0.01 0.42 0.48 1.23 -1.01 0.00 0.00 177.57 178.69 3gqy h GLY 415 N 0.97 1.02 0.99 3.17 0.00 -1.21 -0.16 103.07 107.84 3gqy h GLY 415 Ca 0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3gqy h GLY 415 CO 0.05 0.37 0.30 0.00 0.00 0.00 0.00 176.54 177.25 3gqy h ALA 416 N 1.27 0.66 -0.38 3.60 0.00 -0.61 -0.92 119.26 122.88 3gqy h ALA 416 Ca 0.27 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 55.01 3gqy h ALA 416 Cb -0.10 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3gqy h ALA 416 CO -0.06 0.16 -0.11 0.28 0.00 0.00 0.00 179.25 179.52 3gqy h VAL 417 N 0.69 1.28 -0.38 0.00 2.07 -0.98 -0.29 116.25 118.64 3gqy h VAL 417 Ca 0.18 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.53 3gqy h VAL 417 Cb 0.02 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 3gqy h VAL 417 CO -0.03 0.40 0.17 -0.08 0.02 0.00 0.00 177.57 178.05 3gqy h GLU 418 N 0.55 0.34 -0.80 1.57 4.57 -0.94 -2.03 114.58 117.84 3gqy h GLU 418 Ca 0.09 -0.02 0.02 0.00 -1.18 0.00 0.00 59.36 58.28 3gqy h GLU 418 Cb 0.64 -0.08 -0.05 0.00 -0.16 0.00 0.00 28.75 29.11 3gqy h GLU 418 CO 0.04 0.23 0.52 0.00 -1.18 0.00 0.00 179.01 178.62 3gqy h ALA 419 N 1.22 1.04 -0.71 2.92 0.00 -1.01 -1.67 119.26 121.04 3gqy h ALA 419 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 3gqy h ALA 419 Cb 0.10 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.57 3gqy h ALA 419 CO -0.14 0.36 0.31 0.66 0.00 0.00 0.00 179.25 180.45 3gqy h SER 420 N 1.03 0.94 -0.38 0.00 4.64 -0.40 -1.68 113.55 117.71 3gqy h SER 420 Ca 0.31 -0.12 -0.08 0.00 -0.47 0.00 0.00 61.79 61.43 3gqy h SER 420 Cb -0.04 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 61.80 3gqy h SER 420 CO -0.09 0.82 -0.08 -0.26 -0.87 0.00 0.00 176.83 176.34 3gqy h PHE 421 N 1.02 0.81 -0.58 4.77 0.04 -1.16 -0.73 116.94 121.11 3gqy h PHE 421 Ca 0.24 -0.17 -0.04 0.00 2.80 0.00 0.00 57.97 60.80 3gqy h PHE 421 Cb 0.15 -0.20 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3gqy h PHE 421 CO 0.01 0.86 0.20 -0.22 -0.60 0.00 0.00 178.31 178.56 3gqy h LYS 422 N 0.53 0.86 -0.30 1.51 1.63 -0.64 -2.89 116.57 117.26 3gqy h LYS 422 Ca 0.10 -0.15 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3gqy h LYS 422 Cb 0.60 -0.14 0.00 0.00 -0.60 0.00 0.00 32.23 32.08 3gqy h LYS 422 CO 0.04 0.73 0.00 0.00 -3.45 0.00 0.00 179.45 176.76 3gqy s SER 425 N -3.89 4.85 0.48 0.00 1.04 -0.68 -4.93 113.70 110.57 3gqy s SER 425 Ca 0.27 2.14 0.28 0.00 0.48 0.00 0.00 55.95 59.13 3gqy s SER 425 Cb -0.13 -2.57 1.05 0.00 0.10 0.00 0.00 66.02 64.47 3gqy s SER 425 CO 0.94 -1.81 1.87 1.23 0.98 0.00 0.00 173.24 176.45 3gqy h GLY 426 N 0.04 0.00 -2.91 7.32 0.00 -1.71 -3.43 103.07 102.39 3gqy h GLY 426 Ca -0.47 0.00 0.25 0.00 0.00 0.00 0.00 47.33 47.11 3gqy h GLY 426 CO 0.53 0.00 0.70 0.00 0.00 0.00 0.00 176.54 177.77 3gqy s ALA 427 N -3.62 -2.02 -0.25 3.60 0.00 -1.26 -4.27 121.76 113.95 3gqy s ALA 427 Ca 0.01 0.75 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 3gqy s ALA 427 Cb 0.09 0.35 0.03 0.00 0.00 0.00 0.00 23.12 23.60 3gqy s ALA 427 CO 0.60 -0.93 -0.09 0.42 0.00 0.00 0.00 175.76 175.77 3gqy s ILE 428 N -2.72 2.62 -0.15 0.00 1.01 0.09 -1.60 121.20 120.46 3gqy s ILE 428 Ca 0.12 -1.17 -0.17 0.00 0.00 0.00 0.00 60.65 59.43 3gqy s ILE 428 Cb 0.02 -2.36 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 3gqy s ILE 428 CO -0.03 0.17 0.42 -0.63 0.00 0.00 0.00 174.94 174.87 3gqy s ILE 429 N 1.27 5.22 -0.12 2.92 1.01 0.14 -0.45 121.20 131.17 3gqy s ILE 429 Ca -0.02 0.80 -0.01 0.00 0.00 0.00 0.00 60.65 61.43 3gqy s ILE 429 Cb -0.17 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.57 3gqy s ILE 429 CO -0.06 0.32 -0.06 -0.69 0.00 0.00 0.00 174.94 174.46 3gqy s VAL 430 N 0.75 0.99 -0.03 2.92 1.01 0.14 0.44 120.40 126.62 3gqy s VAL 430 Ca 0.22 -0.35 -0.30 0.00 0.00 0.00 0.00 61.98 61.55 3gqy s VAL 430 Cb -0.14 -1.07 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 3gqy s VAL 430 CO 0.08 0.29 1.06 -0.76 0.00 0.00 0.00 175.10 175.77 3gqy s LEU 431 N 1.71 4.32 -0.13 3.92 1.43 -1.00 -0.36 118.68 128.57 3gqy s LEU 431 Ca 0.04 1.71 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 3gqy s LEU 431 Cb -0.13 -3.57 0.04 0.00 0.03 0.00 0.00 46.19 42.56 3gqy s LEU 431 CO -0.08 -0.40 0.34 0.28 0.23 0.00 0.00 176.35 176.72 3gqy s THR 432 N 1.48 -0.01 -0.18 5.49 -1.32 -0.77 -4.86 115.64 115.47 3gqy s THR 432 Ca 0.53 0.03 -0.19 0.00 -1.21 0.00 0.00 61.69 60.85 3gqy s THR 432 Cb -0.22 -0.48 -0.21 0.00 -1.51 0.00 0.00 72.50 70.07 3gqy s THR 432 CO 0.25 0.01 0.31 0.11 -2.21 0.00 0.00 174.62 173.09 3gqy h LYS 433 N 6.07 0.06 0.00 7.08 1.57 -1.94 -3.38 116.57 126.03 3gqy h LYS 433 Ca -0.30 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.38 3gqy h LYS 433 Cb 1.18 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.53 3gqy h LYS 433 CO 0.31 1.05 -1.15 -1.13 -0.57 0.00 0.00 179.45 177.96 3gqy n SER 434 N -4.26 0.60 0.00 0.86 3.41 -1.26 -4.66 113.62 108.32 3gqy n SER 434 Ca -0.30 -0.35 0.00 0.00 -0.26 0.00 0.00 58.87 57.96 3gqy n SER 434 Cb 0.74 1.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.69 3gqy n SER 434 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gqy n GLY 435 N 1.38 2.81 0.30 5.00 0.00 -1.26 -4.86 105.19 108.57 3gqy n GLY 435 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3gqy n GLY 435 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3gqy h ARG 436 N 2.97 0.87 -0.77 1.61 3.08 -1.95 -1.02 114.38 119.17 3gqy h ARG 436 Ca 0.00 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 60.01 3gqy h ARG 436 Cb 0.00 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 29.81 3gqy h ARG 436 CO 0.00 0.58 0.51 0.77 -1.07 0.00 0.00 179.97 180.76 3gqy h SER 437 N 0.90 0.87 0.09 7.04 0.02 -1.93 -1.23 113.55 119.31 3gqy h SER 437 Ca 0.35 -0.02 -0.15 0.00 -0.84 0.00 0.00 61.79 61.13 3gqy h SER 437 Cb 0.17 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.49 3gqy h SER 437 CO -0.17 0.63 -0.52 0.00 -1.14 0.00 0.00 176.83 175.62 3gqy h ALA 438 N 1.29 0.78 -0.89 3.77 0.00 -1.58 -2.68 119.26 119.95 3gqy h ALA 438 Ca 0.29 -0.50 0.03 0.00 0.00 0.00 0.00 54.91 54.73 3gqy h ALA 438 Cb -0.10 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 3gqy h ALA 438 CO -0.07 0.68 0.59 0.45 0.00 0.00 0.00 179.25 180.90 3gqy h HIS 439 N 0.37 1.09 -0.33 0.00 -0.00 -0.63 -0.46 115.15 115.19 3gqy h HIS 439 Ca 0.01 0.03 -0.10 0.00 -0.00 0.00 0.00 60.37 60.30 3gqy h HIS 439 Cb 1.04 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 28.07 3gqy h HIS 439 CO 0.04 0.64 -0.23 1.96 -0.00 0.00 0.00 177.93 180.34 3gqy h GLN 440 N 1.13 0.63 -0.05 2.45 4.20 -0.92 -2.30 115.11 120.25 3gqy h GLN 440 Ca 0.35 -0.24 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3gqy h GLN 440 Cb -0.00 -0.04 -0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gqy h GLN 440 CO -0.10 0.81 -0.02 0.28 -0.67 0.00 0.00 178.83 179.13 3gqy h VAL 441 N 0.56 1.30 -0.95 -0.54 2.07 -1.22 -3.31 116.25 114.16 3gqy h VAL 441 Ca 0.08 -0.94 0.16 0.00 0.82 0.00 0.00 66.70 66.82 3gqy h VAL 441 Cb 0.69 1.83 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 3gqy h VAL 441 CO 0.05 0.26 0.60 0.00 0.02 0.00 0.00 177.57 178.50 3gqy h ALA 442 N 0.65 1.81 0.00 1.67 0.00 -0.80 -1.67 119.26 120.91 3gqy h ALA 442 Ca 0.01 0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3gqy h ALA 442 Cb 0.42 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 3gqy h ALA 442 CO 0.01 -0.10 0.00 0.07 0.00 0.00 0.00 179.25 179.23 3gqy h ARG 443 N 0.71 0.00 -0.05 0.00 0.11 -1.50 -1.35 114.38 112.30 3gqy h ARG 443 Ca 0.50 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.58 3gqy h ARG 443 Cb 0.82 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.90 3gqy h ARG 443 CO -0.26 0.00 0.00 0.66 0.10 0.00 0.00 179.97 180.47 3gqy n TYR 444 N -2.86 0.04 -3.38 4.08 4.01 -0.63 -4.94 117.16 113.48 3gqy n TYR 444 Ca -0.01 -0.02 -0.17 0.00 -0.16 0.00 0.00 57.90 57.54 3gqy n TYR 444 Cb 0.18 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.28 3gqy n TYR 444 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 3gqy n ARG 445 N 0.57 -3.93 -1.50 -0.72 5.12 -0.51 -4.72 116.66 110.98 3gqy n ARG 445 Ca 0.17 0.81 -0.33 0.00 -1.93 0.00 0.00 57.85 56.57 3gqy n ARG 445 Cb 0.43 -5.67 0.08 0.00 -1.16 0.00 0.00 32.46 26.14 3gqy n ARG 445 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 3gqy s PRO 446 N -4.98 2.33 0.10 5.56 0.04 -1.26 -4.90 135.00 131.89 3gqy s PRO 446 Ca 0.26 1.56 -0.11 0.00 0.04 0.00 0.00 61.00 62.75 3gqy s PRO 446 Cb -0.04 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.45 3gqy s PRO 446 CO 0.75 -1.65 1.26 -0.09 0.04 0.00 0.00 177.00 177.31 3gqy h ARG 447 N -0.34 0.64 -6.88 4.56 2.43 -1.95 -3.46 114.38 109.38 3gqy h ARG 447 Ca -0.47 -0.64 -0.53 0.00 -0.81 0.00 0.00 59.98 57.53 3gqy h ARG 447 Cb 1.27 0.17 0.08 0.00 -0.42 0.00 0.00 29.97 31.07 3gqy h ARG 447 CO 0.51 1.24 0.74 0.00 -1.51 0.00 0.00 179.97 180.95 3gqy s ALA 448 N -3.42 3.57 0.42 2.80 0.00 -1.26 -4.97 121.76 118.91 3gqy s ALA 448 Ca -0.09 1.43 -0.26 0.00 0.00 0.00 0.00 51.96 53.05 3gqy s ALA 448 Cb 0.08 -3.56 -0.09 0.00 0.00 0.00 0.00 23.12 19.55 3gqy s ALA 448 CO 0.90 -0.86 1.35 -1.25 0.00 0.00 0.00 175.76 175.90 3gqy s PRO 449 N -1.58 3.88 -0.50 0.00 0.04 -1.26 -4.64 135.00 130.93 3gqy s PRO 449 Ca 0.53 2.26 -0.17 0.00 0.04 0.00 0.00 61.00 63.67 3gqy s PRO 449 Cb -0.44 -2.73 0.08 0.00 0.04 0.00 0.00 34.50 31.45 3gqy s PRO 449 CO 0.55 -0.60 0.49 0.42 0.04 0.00 0.00 177.00 177.91 3gqy s ILE 450 N -1.24 5.11 -0.63 0.56 1.01 0.35 -0.73 121.20 125.63 3gqy s ILE 450 Ca 0.58 -1.02 -0.24 0.00 0.00 0.00 0.00 60.65 59.97 3gqy s ILE 450 Cb -0.40 -4.24 0.05 0.00 0.01 0.00 0.00 42.46 37.88 3gqy s ILE 450 CO 0.52 -0.74 1.02 -0.63 0.00 0.00 0.00 174.94 175.11 3gqy s ILE 451 N 1.94 4.24 -0.51 2.92 1.01 0.40 -0.34 121.20 130.86 3gqy s ILE 451 Ca 0.07 0.04 -0.21 0.00 0.00 0.00 0.00 60.65 60.55 3gqy s ILE 451 Cb -0.24 -4.67 0.05 0.00 0.01 0.00 0.00 42.46 37.60 3gqy s ILE 451 CO 0.07 -1.40 0.75 0.00 0.00 0.00 0.00 174.94 174.37 3gqy s ALA 452 N 4.33 3.29 -0.23 9.38 0.00 -0.95 -0.68 121.76 136.90 3gqy s ALA 452 Ca 0.28 -1.44 -0.18 0.00 0.00 0.00 0.00 51.96 50.62 3gqy s ALA 452 Cb -0.14 -3.49 -0.03 0.00 0.00 0.00 0.00 23.12 19.46 3gqy s ALA 452 CO 0.15 -2.11 0.49 0.08 0.00 0.00 0.00 175.76 174.37 3gqy s VAL 453 N 3.18 5.11 0.04 0.00 1.01 0.51 -1.14 120.40 129.12 3gqy s VAL 453 Ca 0.23 0.87 -0.00 0.00 0.00 0.00 0.00 61.98 63.07 3gqy s VAL 453 Cb -0.16 -3.81 -0.03 0.00 0.00 0.00 0.00 36.38 32.38 3gqy s VAL 453 CO 0.16 0.15 -0.03 0.28 0.00 0.00 0.00 175.10 175.66 3gqy s THR 454 N 1.89 0.22 -1.39 3.92 -1.32 -0.72 -1.85 115.64 116.38 3gqy s THR 454 Ca 0.22 -1.47 0.22 0.00 -1.21 0.00 0.00 61.69 59.45 3gqy s THR 454 Cb -0.15 -1.05 -0.10 0.00 -1.51 0.00 0.00 72.50 69.69 3gqy s THR 454 CO 0.09 -0.79 1.06 0.54 -2.21 0.00 0.00 174.62 173.31 3gqy n ARG 455 N 0.68 0.45 -3.03 7.08 1.74 -1.26 -0.30 116.66 122.02 3gqy n ARG 455 Ca -0.18 -0.36 -0.43 0.00 -0.77 0.00 0.00 57.85 56.11 3gqy n ARG 455 Cb 0.59 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.47 3gqy n ARG 455 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 3gqy s ASN 456 N -2.80 6.36 0.30 0.55 3.84 -1.26 -4.89 114.94 117.04 3gqy s ASN 456 Ca 0.13 -0.27 0.01 0.00 0.21 0.00 0.00 52.86 52.93 3gqy s ASN 456 Cb 0.17 -2.36 0.52 0.00 -0.55 0.00 0.00 41.25 39.04 3gqy s ASN 456 CO 0.73 -0.88 1.91 -0.65 -2.79 0.00 0.00 177.10 175.42 3gqy h PRO 457 N 8.96 1.01 -0.47 0.43 0.11 -1.95 -1.88 132.00 138.21 3gqy h PRO 457 Ca -0.25 -0.06 -0.13 0.00 0.11 0.00 0.00 66.00 65.67 3gqy h PRO 457 Cb 1.09 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 3gqy h PRO 457 CO 0.94 0.67 -0.21 0.37 -0.21 0.00 0.00 178.00 179.56 3gqy h GLN 458 N 1.04 0.97 -0.69 1.05 4.15 -1.97 -2.28 115.11 117.38 3gqy h GLN 458 Ca 0.39 -0.42 0.04 0.00 0.77 0.00 0.00 58.65 59.43 3gqy h GLN 458 Cb 0.20 -0.03 -0.05 0.00 0.21 0.00 0.00 27.48 27.81 3gqy h GLN 458 CO -0.15 1.09 0.42 1.15 -1.93 0.00 0.00 178.83 179.41 3gqy h THR 459 N 0.82 1.06 -0.71 2.39 2.02 -1.73 0.88 112.91 117.64 3gqy h THR 459 Ca 0.11 -0.28 -0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gqy h THR 459 Cb 0.79 0.18 -0.03 0.00 -1.74 0.00 0.00 68.15 67.34 3gqy h THR 459 CO 0.07 0.15 0.42 0.00 0.37 0.00 0.00 175.52 176.53 3gqy h ALA 460 N 1.31 1.41 -0.06 6.16 0.00 -1.06 -1.14 119.26 125.88 3gqy h ALA 460 Ca 0.29 -0.08 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 3gqy h ALA 460 Cb 0.07 -0.29 0.01 0.00 0.00 0.00 0.00 17.79 17.58 3gqy h ALA 460 CO -0.13 0.51 -0.67 0.00 0.00 0.00 0.00 179.25 178.96 3gqy h ARG 461 N 0.98 0.57 0.00 0.00 3.08 -1.00 -3.32 114.38 114.68 3gqy h ARG 461 Ca 0.26 -0.52 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 3gqy h ARG 461 Cb -0.03 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3gqy h ARG 461 CO -0.05 1.15 -0.21 1.96 -1.07 0.00 0.00 179.97 181.75 3gqy h GLN 462 N 0.17 0.00 0.00 0.04 4.20 -0.54 -3.17 115.11 115.81 3gqy h GLN 462 Ca -0.07 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.63 3gqy h GLN 462 Cb 1.33 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 29.11 3gqy h GLN 462 CO 0.14 0.21 -0.08 0.00 -0.67 0.00 0.00 178.83 178.43 3gqy h ALA 463 N 1.79 1.25 0.00 3.87 0.00 -1.32 -2.30 119.26 122.54 3gqy h ALA 463 Ca -0.00 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3gqy h ALA 463 Cb 0.82 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.59 3gqy h ALA 463 CO 0.03 0.10 0.17 0.45 0.00 0.00 0.00 179.25 180.00 3gqy h HIS 464 N 0.00 0.00 0.00 0.00 3.86 -1.74 -1.94 115.15 115.33 3gqy h HIS 464 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3gqy h HIS 464 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 3gqy h HIS 464 CO 0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 3gqy n LEU 465 N -2.93 0.51 -4.41 2.43 4.77 -0.87 -4.27 117.00 112.23 3gqy n LEU 465 Ca -0.02 0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 56.26 3gqy n LEU 465 Cb 0.23 -0.60 -0.13 0.00 -2.33 0.00 0.00 43.42 40.58 3gqy n LEU 465 CO 0.16 -0.57 -0.38 -0.31 -1.33 0.00 0.00 177.39 174.95 3gqy s TYR 466 N -3.29 2.95 0.08 -1.77 2.02 -0.73 -4.55 117.35 112.06 3gqy s TYR 466 Ca 0.03 -0.57 -0.36 0.00 -0.37 0.00 0.00 57.07 55.80 3gqy s TYR 466 Cb 0.08 -1.98 -0.16 0.00 -0.40 0.00 0.00 41.96 39.51 3gqy s TYR 466 CO 0.32 -0.24 1.42 -2.13 -1.57 0.00 0.00 175.55 173.36 3gqy n ARG 467 N 3.93 1.38 0.00 -0.62 3.00 -1.26 -2.35 116.66 120.74 3gqy n ARG 467 Ca -0.18 0.50 0.00 0.00 -0.00 0.00 0.00 57.85 58.17 3gqy n ARG 467 Cb 0.52 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 30.81 3gqy n ARG 467 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3gqy n GLY 468 N 2.83 2.46 3.68 5.14 0.00 -0.48 -4.73 105.19 114.09 3gqy n GLY 468 Ca 0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3gqy n GLY 468 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gqy s ILE 469 N -2.30 4.86 -0.47 -0.61 1.01 -0.99 -0.50 121.20 122.19 3gqy s ILE 469 Ca 0.00 1.72 -0.04 0.00 0.00 0.00 0.00 60.65 62.34 3gqy s ILE 469 Cb 0.00 -4.18 0.13 0.00 0.01 0.00 0.00 42.46 38.42 3gqy s ILE 469 CO 0.00 0.03 0.29 0.12 0.00 0.00 0.00 174.94 175.37 3gqy s PHE 470 N 2.08 3.53 0.14 3.97 5.36 0.54 -4.72 117.98 128.87 3gqy s PHE 470 Ca 0.41 -2.42 -0.28 0.00 -0.96 0.00 0.00 56.93 53.68 3gqy s PHE 470 Cb -0.17 -3.26 -0.07 0.00 -0.34 0.00 0.00 43.02 39.18 3gqy s PHE 470 CO 0.14 -0.94 0.89 -1.25 -1.46 0.00 0.00 175.22 172.59 3gqy s PRO 471 N 0.86 4.68 -0.03 10.12 0.04 -1.26 -2.24 135.00 147.16 3gqy s PRO 471 Ca 0.10 1.34 0.04 0.00 0.04 0.00 0.00 61.00 62.52 3gqy s PRO 471 Cb -0.22 -3.33 -0.01 0.00 0.04 0.00 0.00 34.50 30.98 3gqy s PRO 471 CO -0.04 0.36 -0.16 0.14 0.04 0.00 0.00 177.00 177.34 3gqy s VAL 472 N -0.47 1.31 -0.45 -0.36 -7.23 -0.29 -4.55 120.40 108.37 3gqy s VAL 472 Ca 0.42 -0.67 -0.14 0.00 -1.81 0.00 0.00 61.98 59.78 3gqy s VAL 472 Cb -0.23 -1.12 0.06 0.00 0.56 0.00 0.00 36.38 35.65 3gqy s VAL 472 CO 0.28 0.38 0.35 -0.22 -0.31 0.00 0.00 175.10 175.58 3gqy s LEU 473 N -0.06 5.41 -0.06 1.32 2.96 -1.26 -1.76 118.68 125.23 3gqy s LEU 473 Ca -0.01 -1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 52.35 3gqy s LEU 473 Cb -0.10 -2.14 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 3gqy s LEU 473 CO 0.01 -0.58 1.05 0.00 -1.32 0.00 0.00 176.35 175.52 3gqy n LYS 475 N 4.75 1.57 -2.22 0.00 4.76 -1.26 -4.44 118.16 121.31 3gqy n LYS 475 Ca 0.09 -1.61 -0.36 0.00 -2.87 0.00 0.00 58.31 53.56 3gqy n LYS 475 Cb 0.48 -1.28 0.00 0.00 -1.84 0.00 0.00 35.03 32.40 3gqy n LYS 475 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 3gqy s ASP 476 N -1.07 5.74 0.57 4.39 1.01 -1.26 -4.98 116.67 121.07 3gqy s ASP 476 Ca 0.20 2.24 -0.19 0.00 0.71 0.00 0.00 52.55 55.51 3gqy s ASP 476 Cb 0.12 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 3gqy s ASP 476 CO 0.17 -1.21 1.19 -2.84 0.21 0.00 0.00 175.17 172.69 3gqy s PRO 477 N -3.16 3.11 -0.00 8.23 0.02 -1.26 -4.93 135.00 137.01 3gqy s PRO 477 Ca 0.71 1.78 -0.30 0.00 0.02 0.00 0.00 61.00 63.22 3gqy s PRO 477 Cb -0.26 -1.98 -0.07 0.00 0.02 0.00 0.00 34.50 32.21 3gqy s PRO 477 CO 0.30 -1.08 1.83 0.08 -0.33 0.00 0.00 177.00 177.80 3gqy s VAL 478 N -1.62 3.26 0.53 3.83 1.01 -1.26 -4.97 120.40 121.19 3gqy s VAL 478 Ca 0.75 0.32 -0.18 0.00 0.00 0.00 0.00 61.98 62.87 3gqy s VAL 478 Cb -0.29 -3.21 -0.06 0.00 0.00 0.00 0.00 36.38 32.82 3gqy s VAL 478 CO 0.32 -0.03 1.05 -1.10 0.00 0.00 0.00 175.10 175.34 3gqy s GLN 479 N 4.29 3.58 0.10 2.72 -1.52 -1.26 -4.97 119.66 122.59 3gqy s GLN 479 Ca 0.82 1.30 -0.24 0.00 -1.95 0.00 0.00 55.36 55.29 3gqy s GLN 479 Cb -0.39 -2.06 -0.13 0.00 -0.22 0.00 0.00 33.01 30.21 3gqy s GLN 479 CO 0.36 -0.61 1.72 1.05 -0.25 0.00 0.00 175.29 177.56 3gqy h GLU 480 N 1.06 -0.12 -6.05 2.91 4.11 -1.99 -3.39 114.58 111.10 3gqy h GLU 480 Ca -0.48 0.01 -0.59 0.00 0.07 0.00 0.00 59.36 58.37 3gqy h GLU 480 Cb 1.22 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.41 3gqy h GLU 480 CO 0.58 -0.08 0.61 0.00 0.07 0.00 0.00 179.01 180.20 3gqy s ALA 481 N -6.17 3.48 0.25 1.06 0.00 -1.26 -4.94 121.76 114.17 3gqy s ALA 481 Ca -0.14 -0.31 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3gqy s ALA 481 Cb 0.07 -3.51 0.45 0.00 0.00 0.00 0.00 23.12 20.13 3gqy s ALA 481 CO 0.66 -1.44 1.75 2.35 0.00 0.00 0.00 175.76 179.08 3gqy h TRP 482 N 8.23 0.62 -0.74 0.00 7.01 -2.00 -0.64 115.95 128.43 3gqy h TRP 482 Ca -0.23 0.03 0.06 0.00 2.11 0.00 0.00 58.89 60.87 3gqy h TRP 482 Cb 1.08 -0.16 -0.05 0.00 -2.10 0.00 0.00 29.16 27.94 3gqy h TRP 482 CO 0.81 0.13 0.49 0.00 -2.79 0.00 0.00 178.44 177.08 3gqy h ALA 483 N 1.52 1.69 -0.08 2.65 0.00 -1.94 0.13 119.26 123.22 3gqy h ALA 483 Ca 0.41 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 55.14 3gqy h ALA 483 Cb 0.58 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3gqy h ALA 483 CO -0.36 0.20 -0.65 0.93 0.00 0.00 0.00 179.25 179.37 3gqy h GLU 484 N 0.78 0.33 -0.49 0.00 5.08 -1.55 -2.40 114.58 116.33 3gqy h GLU 484 Ca 0.32 -0.24 -0.13 0.00 -1.00 0.00 0.00 59.36 58.31 3gqy h GLU 484 Cb 0.26 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 3gqy h GLU 484 CO -0.11 0.86 -0.19 0.22 -1.00 0.00 0.00 179.01 178.79 3gqy h ASP 485 N 0.24 1.01 0.08 1.42 3.58 -0.08 0.08 116.42 122.75 3gqy h ASP 485 Ca -0.01 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.04 3gqy h ASP 485 Cb 1.18 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.95 3gqy h ASP 485 CO 0.11 1.18 -0.04 0.58 -2.88 0.00 0.00 179.24 178.18 3gqy h VAL 486 N 0.85 0.94 -0.97 2.25 2.07 -0.82 -2.59 116.25 117.97 3gqy h VAL 486 Ca 0.11 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3gqy h VAL 486 Cb 0.77 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.47 3gqy h VAL 486 CO 0.06 0.01 0.61 0.44 0.02 0.00 0.00 177.57 178.71 3gqy h ASP 487 N -0.13 1.15 -0.53 0.57 3.45 -1.30 -1.38 116.42 118.25 3gqy h ASP 487 Ca -0.01 -0.06 0.05 0.00 0.43 0.00 0.00 57.03 57.44 3gqy h ASP 487 Cb 0.10 -0.29 -0.05 0.00 -0.56 0.00 0.00 39.33 38.54 3gqy h ASP 487 CO 0.02 0.86 0.26 0.25 -1.57 0.00 0.00 179.24 179.06 3gqy h LEU 488 N 1.33 0.37 -0.36 1.55 6.46 -0.89 0.18 115.31 123.94 3gqy h LEU 488 Ca 0.35 0.03 -0.14 0.00 -0.12 0.00 0.00 57.88 58.01 3gqy h LEU 488 Cb -0.09 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 39.80 3gqy h LEU 488 CO -0.07 0.25 -0.31 0.03 -0.62 0.00 0.00 178.44 177.72 3gqy h ARG 489 N 0.50 0.84 -0.84 1.25 3.08 -1.04 -0.47 114.38 117.70 3gqy h ARG 489 Ca 0.24 -0.43 0.06 0.00 0.07 0.00 0.00 59.98 59.92 3gqy h ARG 489 Cb 0.16 0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.16 3gqy h ARG 489 CO -0.17 1.07 0.52 0.28 -1.07 0.00 0.00 179.97 180.59 3gqy h VAL 490 N 0.63 1.04 -0.05 2.04 2.07 -1.08 -2.03 116.25 118.88 3gqy h VAL 490 Ca 0.06 -0.33 -0.10 0.00 0.82 0.00 0.00 66.70 67.15 3gqy h VAL 490 Cb 0.89 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.65 3gqy h VAL 490 CO 0.08 0.17 -0.45 -1.13 0.02 0.00 0.00 177.57 176.26 3gqy h ASN 491 N 0.95 0.11 -0.30 0.57 -1.24 -0.60 -1.25 115.58 113.82 3gqy h ASN 491 Ca 0.37 -0.05 0.00 0.00 0.71 0.00 0.00 56.30 57.33 3gqy h ASN 491 Cb 0.17 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.17 3gqy h ASN 491 CO -0.17 0.56 0.20 0.15 -1.29 0.00 0.00 177.43 176.87 3gqy h PHE 492 N 0.09 0.38 -0.74 0.67 3.57 -0.64 -1.47 116.94 118.80 3gqy h PHE 492 Ca 0.00 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.49 3gqy h PHE 492 Cb 0.84 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.42 3gqy h PHE 492 CO 0.01 0.24 0.37 0.00 -2.23 0.00 0.00 178.31 176.70 3gqy h ALA 493 N 1.11 1.25 -0.67 2.41 0.00 -0.84 -0.88 119.26 121.64 3gqy h ALA 493 Ca 0.11 -0.14 0.02 0.00 0.00 0.00 0.00 54.91 54.90 3gqy h ALA 493 Cb -0.04 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.41 3gqy h ALA 493 CO -0.02 0.58 0.42 0.52 0.00 0.00 0.00 179.25 180.75 3gqy h MET 494 N 1.04 0.82 -0.54 0.00 2.86 -0.90 -1.28 114.93 116.93 3gqy h MET 494 Ca 0.26 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.77 3gqy h MET 494 Cb 0.09 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 3gqy h MET 494 CO -0.04 0.54 0.02 -0.91 1.06 0.00 0.00 176.91 177.58 3gqy h ASN 495 N 0.85 0.93 0.04 1.22 2.35 -0.48 -1.44 115.58 119.04 3gqy h ASN 495 Ca 0.26 -0.30 0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3gqy h ASN 495 Cb -0.02 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.10 3gqy h ASN 495 CO -0.09 1.00 -0.03 0.58 -1.65 0.00 0.00 177.43 177.24 3gqy h VAL 496 N 0.83 0.92 -0.56 2.81 2.07 -0.91 -0.56 116.25 120.84 3gqy h VAL 496 Ca 0.16 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.71 3gqy h VAL 496 Cb 0.51 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.16 3gqy h VAL 496 CO 0.02 0.00 0.32 1.23 0.02 0.00 0.00 177.57 179.16 3gqy h GLY 497 N -0.08 0.81 0.94 2.17 0.00 -1.17 0.14 103.07 105.88 3gqy h GLY 497 Ca 0.00 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3gqy h GLY 497 CO -0.01 0.17 -0.04 0.50 0.00 0.00 0.00 176.54 177.17 3gqy h LYS 498 N 0.62 -0.10 -0.75 4.80 1.57 -1.10 0.12 116.57 121.74 3gqy h LYS 498 Ca 0.24 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.01 3gqy h LYS 498 Cb 0.09 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3gqy h LYS 498 CO -0.13 -0.01 0.39 0.00 -0.57 0.00 0.00 179.45 179.13 3gqy h ALA 499 N 0.76 1.28 -0.00 3.86 0.00 -0.79 -2.34 119.26 122.03 3gqy h ALA 499 Ca -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.77 3gqy h ALA 499 Cb 0.13 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.62 3gqy h ALA 499 CO 0.02 0.58 -0.05 0.54 0.00 0.00 0.00 179.25 180.33 3gqy n ARG 500 N -4.35 0.75 -1.45 0.00 5.12 0.45 -4.93 116.66 112.26 3gqy n ARG 500 Ca 0.07 -0.16 -0.06 0.00 -1.93 0.00 0.00 57.85 55.77 3gqy n ARG 500 Cb 0.11 -1.50 -0.02 0.00 -1.16 0.00 0.00 32.46 29.90 3gqy n ARG 500 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3gqy n GLY 501 N 1.21 0.64 0.21 -0.13 0.00 -0.65 -4.91 105.19 101.57 3gqy n GLY 501 Ca 0.17 -0.73 -0.11 0.00 0.00 0.00 0.00 46.02 45.34 3gqy n GLY 501 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gqy h PHE 502 N 0.00 0.79 -3.13 1.61 0.04 -1.05 -3.44 116.94 111.76 3gqy h PHE 502 Ca -0.13 -0.30 -0.03 0.00 2.80 0.00 0.00 57.97 60.31 3gqy h PHE 502 Cb 0.61 -0.14 -0.02 0.00 2.20 0.00 0.00 35.95 38.60 3gqy h PHE 502 CO 0.17 1.07 0.21 -0.59 -0.60 0.00 0.00 178.31 178.57 3gqy s PHE 503 N -3.93 0.17 0.21 -0.55 -0.12 -1.21 -4.83 117.98 107.72 3gqy s PHE 503 Ca -0.08 -0.76 -0.00 0.00 -0.05 0.00 0.00 56.93 56.04 3gqy s PHE 503 Cb 0.11 0.71 -0.04 0.00 -0.63 0.00 0.00 43.02 43.16 3gqy s PHE 503 CO 0.86 -1.46 0.10 -1.59 -0.05 0.00 0.00 175.22 173.08 3gqy s LYS 504 N -2.70 1.23 0.13 1.99 -2.85 -1.26 -4.06 119.74 112.22 3gqy s LYS 504 Ca 0.16 -1.65 -0.35 0.00 -1.00 0.00 0.00 55.97 53.14 3gqy s LYS 504 Cb -0.05 0.05 -0.16 0.00 -2.06 0.00 0.00 37.83 35.62 3gqy s LYS 504 CO 0.11 -0.33 1.34 1.17 0.10 0.00 0.00 175.35 177.75 3gqy n LYS 505 N -0.31 1.38 0.00 1.78 4.81 -1.26 -1.69 118.16 122.87 3gqy n LYS 505 Ca -0.00 0.50 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3gqy n LYS 505 Cb 0.66 -2.13 0.00 0.00 0.02 0.00 0.00 35.03 33.58 3gqy n LYS 505 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3gqy n GLY 506 N 2.52 3.24 3.64 3.14 0.00 0.26 -4.94 105.19 113.05 3gqy n GLY 506 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.89 3gqy n GLY 506 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gqy s ASP 507 N -0.51 2.66 -0.10 1.61 1.01 -0.68 -4.60 116.67 116.05 3gqy s ASP 507 Ca 0.00 1.82 -0.02 0.00 0.71 0.00 0.00 52.55 55.06 3gqy s ASP 507 Cb 0.00 -2.41 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3gqy s ASP 507 CO 0.00 -3.20 -0.03 0.54 0.21 0.00 0.00 175.17 172.69 3gqy s VAL 508 N -2.69 4.03 0.25 -1.27 0.11 -1.26 -0.25 120.40 119.32 3gqy s VAL 508 Ca 0.66 -0.34 0.06 0.00 -2.93 0.00 0.00 61.98 59.43 3gqy s VAL 508 Cb -0.22 -2.70 -0.05 0.00 -1.53 0.00 0.00 36.38 31.88 3gqy s VAL 508 CO 0.59 0.57 -0.07 0.68 -3.33 0.00 0.00 175.10 173.54 3gqy s VAL 509 N -0.46 1.56 -0.09 2.04 -7.23 -0.07 -1.93 120.40 114.23 3gqy s VAL 509 Ca 0.08 -2.13 -0.09 0.00 -1.81 0.00 0.00 61.98 58.03 3gqy s VAL 509 Cb -0.12 -2.32 -0.04 0.00 0.56 0.00 0.00 36.38 34.46 3gqy s VAL 509 CO 0.02 -0.39 0.21 -0.63 -0.31 0.00 0.00 175.10 174.00 3gqy s ILE 510 N -3.08 5.39 -0.08 -0.62 -1.09 -0.63 -0.56 121.20 120.54 3gqy s ILE 510 Ca 0.27 0.37 0.01 0.00 -2.23 0.00 0.00 60.65 59.07 3gqy s ILE 510 Cb 0.03 -3.48 0.02 0.00 -1.58 0.00 0.00 42.46 37.45 3gqy s ILE 510 CO 0.10 0.61 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.63 3gqy s VAL 511 N -1.03 1.04 -0.16 2.92 1.01 0.28 0.23 120.40 124.70 3gqy s VAL 511 Ca 0.17 -0.39 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 3gqy s VAL 511 Cb -0.13 -0.99 -0.03 0.00 0.00 0.00 0.00 36.38 35.23 3gqy s VAL 511 CO 0.06 0.35 -0.03 -0.76 0.00 0.00 0.00 175.10 174.72 3gqy s LEU 512 N 0.99 3.31 0.32 3.92 1.43 0.17 -1.09 118.68 127.73 3gqy s LEU 512 Ca -0.09 -0.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.97 3gqy s LEU 512 Cb -0.15 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3gqy s LEU 512 CO -0.00 0.18 0.27 0.42 0.23 0.00 0.00 176.35 177.45 3gqy s THR 513 N 0.32 0.00 0.48 5.49 -4.23 -0.74 -2.38 115.64 114.58 3gqy s THR 513 Ca -0.03 -1.98 0.02 0.00 -1.18 0.00 0.00 61.69 58.52 3gqy s THR 513 Cb -0.14 -2.50 -0.02 0.00 1.34 0.00 0.00 72.50 71.18 3gqy s THR 513 CO 0.03 0.00 0.03 -0.83 -0.54 0.00 0.00 174.62 173.31 3gqy s GLY 514 N -3.35 2.88 0.00 3.99 0.00 -1.26 -2.03 107.32 107.56 3gqy s GLY 514 Ca 0.40 -0.73 0.23 0.00 0.00 0.00 0.00 44.72 44.62 3gqy s GLY 514 CO 0.26 -2.10 1.13 -2.67 0.00 0.00 0.00 173.10 169.72 3gqy n TRP 515 N -1.15 0.00 -3.87 1.90 4.27 -1.01 -4.87 117.44 112.71 3gqy n TRP 515 Ca -0.15 0.00 -0.07 0.00 -3.89 0.00 0.00 57.50 53.39 3gqy n TRP 515 Cb 0.66 -0.09 -0.02 0.00 -1.36 0.00 0.00 31.31 30.50 3gqy n TRP 515 CO 0.00 0.00 0.00 -0.98 -2.29 0.00 0.00 177.69 174.42 3gqy s ARG 516 N -2.94 1.78 0.86 -2.67 1.70 -1.26 -5.17 118.95 111.26 3gqy s ARG 516 Ca 0.11 -1.01 -0.11 0.00 -0.47 0.00 0.00 55.73 54.25 3gqy s ARG 516 Cb 0.17 0.60 0.11 0.00 -0.57 0.00 0.00 34.95 35.26 3gqy s ARG 516 CO 0.77 -0.81 1.10 -2.14 -1.08 0.00 0.00 175.30 173.14 3gqy s PRO 517 N -3.90 1.50 0.00 3.89 0.02 -1.26 -4.84 135.00 130.41 3gqy s PRO 517 Ca 0.12 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.31 3gqy s PRO 517 Cb -0.06 -1.81 0.00 0.00 0.02 0.00 0.00 34.50 32.65 3gqy s PRO 517 CO 0.07 -2.18 0.00 0.41 -0.33 0.00 0.00 177.00 174.97 3gqy n GLY 518 N -0.68 0.06 3.79 0.52 0.00 -1.26 -4.98 105.19 102.65 3gqy n GLY 518 Ca 0.09 -1.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.03 3gqy n GLY 518 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gqy s SER 519 N -1.89 5.92 0.00 1.61 0.01 -1.26 -4.35 113.70 113.75 3gqy s SER 519 Ca 0.00 2.00 0.00 0.00 1.31 0.00 0.00 55.95 59.26 3gqy s SER 519 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 3gqy s SER 519 CO 0.00 -1.07 0.00 0.61 0.41 0.00 0.00 173.24 173.19 3gqy n GLY 520 N -0.27 0.79 0.11 3.44 0.00 -1.26 -4.97 105.19 103.03 3gqy n GLY 520 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.17 3gqy n GLY 520 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3gqy n PHE 521 N -1.87 0.07 -1.73 1.61 3.01 -1.26 -4.92 117.46 112.37 3gqy n PHE 521 Ca 0.00 -0.71 -0.42 0.00 1.01 0.00 0.00 57.45 57.33 3gqy n PHE 521 Cb 0.00 -0.10 -0.03 0.00 -0.01 0.00 0.00 39.48 39.34 3gqy n PHE 521 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3gqy s THR 522 N -1.79 2.90 0.00 4.37 2.01 -1.26 -2.41 115.64 119.46 3gqy s THR 522 Ca 0.15 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.28 3gqy s THR 522 Cb 0.13 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.56 3gqy s THR 522 CO 0.03 -0.01 0.08 -0.46 -0.69 0.00 0.00 174.62 173.57 3gqy n ASN 523 N 6.72 0.00 -3.93 3.53 6.94 -0.86 -3.55 115.26 124.11 3gqy n ASN 523 Ca 0.19 -1.00 -0.28 0.00 -0.02 0.00 0.00 54.58 53.47 3gqy n ASN 523 Cb 0.40 0.00 -0.17 0.00 -2.36 0.00 0.00 39.78 37.65 3gqy n ASN 523 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 3gqy s THR 524 N 0.00 1.16 -0.16 5.53 2.01 -0.87 -4.94 115.64 118.36 3gqy s THR 524 Ca 0.00 -0.37 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 3gqy s THR 524 Cb 0.00 -1.15 -0.01 0.00 0.01 0.00 0.00 72.50 71.35 3gqy s THR 524 CO 0.00 0.39 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.89 3gqy s MET 525 N 1.65 3.33 0.05 4.92 1.75 -1.26 -1.78 119.30 127.95 3gqy s MET 525 Ca 0.05 -0.69 0.08 0.00 -1.25 0.00 0.00 55.69 53.88 3gqy s MET 525 Cb -0.13 -2.73 -0.03 0.00 2.84 0.00 0.00 34.83 34.79 3gqy s MET 525 CO -0.09 0.04 -0.22 1.03 -0.65 0.00 0.00 175.02 175.13 3gqy s ARG 526 N 0.80 1.46 -0.32 4.11 0.52 -0.25 -4.97 118.95 120.30 3gqy s ARG 526 Ca -0.04 -0.99 -0.13 0.00 -0.52 0.00 0.00 55.73 54.05 3gqy s ARG 526 Cb -0.15 -1.60 -0.03 0.00 0.52 0.00 0.00 34.95 33.69 3gqy s ARG 526 CO 0.01 0.41 0.26 0.08 0.02 0.00 0.00 175.30 176.08 3gqy s VAL 527 N -0.82 5.26 -0.04 3.52 1.01 -1.26 -0.55 120.40 127.52 3gqy s VAL 527 Ca 0.08 0.01 0.04 0.00 0.00 0.00 0.00 61.98 62.12 3gqy s VAL 527 Cb -0.09 -3.69 -0.00 0.00 0.00 0.00 0.00 36.38 32.60 3gqy s VAL 527 CO 0.02 0.06 -0.16 -0.69 0.00 0.00 0.00 175.10 174.33 3gqy s VAL 528 N 1.83 1.30 0.30 2.92 1.01 0.27 -4.95 120.40 123.08 3gqy s VAL 528 Ca 0.08 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.13 3gqy s VAL 528 Cb -0.17 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.00 3gqy s VAL 528 CO 0.11 0.38 1.06 -2.16 0.00 0.00 0.00 175.10 174.48 3gqy s PRO 529 N 0.02 4.56 -0.04 2.72 0.04 -1.26 -0.89 135.00 140.16 3gqy s PRO 529 Ca -0.03 1.67 -0.30 0.00 0.04 0.00 0.00 61.00 62.39 3gqy s PRO 529 Cb -0.10 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.35 3gqy s PRO 529 CO 0.02 0.18 1.33 0.08 0.04 0.00 0.00 177.00 178.64 3gqy s VAL 530 N -1.30 3.94 -2.00 -0.36 1.01 0.65 -4.88 120.40 117.47 3gqy s VAL 530 Ca 0.47 1.29 0.25 0.00 0.00 0.00 0.00 61.98 63.99 3gqy s VAL 530 Cb -0.28 -3.83 0.72 0.00 0.00 0.00 0.00 36.38 32.99 3gqy s VAL 530 CO 0.36 -0.02 1.87 -0.81 0.00 0.00 0.00 175.10 176.50