#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gqj s ILE 51 N 0.00 4.91 -0.59 2.46 -1.09 -1.26 -5.01 121.20 120.62 3gqj s ILE 51 Ca 0.00 1.74 -0.28 0.00 -2.23 0.00 0.00 60.65 59.88 3gqj s ILE 51 Cb 0.00 -4.18 0.03 0.00 -1.58 0.00 0.00 42.46 36.73 3gqj s ILE 51 CO 0.00 0.13 1.25 0.21 -1.23 0.00 0.00 174.94 175.30 3gqj s ASN 52 N 1.00 6.34 0.27 3.58 3.84 -1.26 -4.90 114.94 123.82 3gqj s ASN 52 Ca 0.43 0.09 0.17 0.00 0.21 0.00 0.00 52.86 53.76 3gqj s ASN 52 Cb -0.18 -2.55 0.08 0.00 -0.55 0.00 0.00 41.25 38.04 3gqj s ASN 52 CO 0.19 -1.57 1.36 0.71 -2.79 0.00 0.00 177.10 174.99 3gqj h THR 53 N 6.20 0.61 -0.15 -5.21 1.35 -2.00 -2.77 112.91 110.94 3gqj h THR 53 Ca -0.26 -1.90 -0.16 0.00 -0.55 0.00 0.00 66.41 63.54 3gqj h THR 53 Cb 1.06 2.24 -0.01 0.00 -1.73 0.00 0.00 68.15 69.71 3gqj h THR 53 CO 1.20 0.35 -0.58 0.40 -0.25 0.00 0.00 175.52 176.63 3gqj h ILE 54 N 0.00 1.34 0.00 6.82 2.04 -2.01 -2.95 117.51 122.74 3gqj h ILE 54 Ca -0.03 -1.87 -0.08 0.00 1.00 0.00 0.00 64.86 63.88 3gqj h ILE 54 Cb 1.32 1.86 -0.01 0.00 -0.74 0.00 0.00 36.82 39.25 3gqj h ILE 54 CO 0.05 0.57 -0.38 0.50 0.00 0.00 0.00 178.15 178.89 3gqj h LYS 55 N 0.36 0.00 -0.25 2.37 3.64 -1.95 -2.41 116.57 118.32 3gqj h LYS 55 Ca -0.00 0.00 0.05 0.00 -1.27 0.00 0.00 60.65 59.43 3gqj h LYS 55 Cb 1.12 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.89 3gqj h LYS 55 CO 0.10 0.38 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.52 3gqj h LEU 56 N 0.00 -0.27 -0.56 5.20 3.38 -1.31 0.17 115.31 121.92 3gqj h LEU 56 Ca -0.00 0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 3gqj h LEU 56 Cb 0.70 0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.60 3gqj h LEU 56 CO 0.05 -0.10 0.00 0.40 0.09 0.00 0.00 178.44 178.89 3gqj h ILE 57 N -0.02 1.26 0.00 1.22 1.08 -1.53 -1.11 117.51 118.42 3gqj h ILE 57 Ca 0.12 -1.12 -0.09 0.00 -0.39 0.00 0.00 64.86 63.39 3gqj h ILE 57 Cb 0.20 0.86 -0.01 0.00 -3.07 0.00 0.00 36.82 34.81 3gqj h ILE 57 CO -0.27 0.40 -0.42 0.44 -0.69 0.00 0.00 178.15 177.61 3gqj h ASP 58 N 0.88 0.00 0.55 1.72 3.32 -1.17 -1.29 116.42 120.43 3gqj h ASP 58 Ca 0.16 0.00 -0.15 0.00 0.02 0.00 0.00 57.03 57.06 3gqj h ASP 58 Cb 0.54 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3gqj h ASP 58 CO 0.03 0.42 -0.69 0.44 -1.72 0.00 0.00 179.24 177.72 3gqj h ASP 59 N 0.00 0.14 -0.41 6.45 3.32 -0.25 -0.52 116.42 125.16 3gqj h ASP 59 Ca -0.00 -0.09 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3gqj h ASP 59 Cb 0.77 -0.04 -0.02 0.00 0.22 0.00 0.00 39.33 40.26 3gqj h ASP 59 CO 0.05 0.78 0.15 0.40 -1.72 0.00 0.00 179.24 178.91 3gqj h ILE 60 N 0.08 1.21 -0.26 0.35 2.04 -0.70 -1.37 117.51 118.86 3gqj h ILE 60 Ca -0.01 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.22 3gqj h ILE 60 Cb 1.23 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 38.15 3gqj h ILE 60 CO 0.10 0.23 0.09 0.40 0.00 0.00 0.00 178.15 178.97 3gqj h ILE 61 N 0.51 0.93 -0.51 -0.67 2.04 -1.06 -0.48 117.51 118.27 3gqj h ILE 61 Ca 0.13 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 66.00 3gqj h ILE 61 Cb 0.22 0.71 -0.06 0.00 -0.74 0.00 0.00 36.82 36.94 3gqj h ILE 61 CO -0.01 0.04 0.16 0.00 0.00 0.00 0.00 178.15 178.34 3gqj h ALA 62 N 1.16 0.61 -0.54 1.87 0.00 -0.98 -0.18 119.26 121.20 3gqj h ALA 62 Ca 0.11 0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3gqj h ALA 62 Cb 0.08 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3gqj h ALA 62 CO -0.12 -0.25 0.32 -0.07 0.00 0.00 0.00 179.25 179.13 3gqj h LEU 63 N 0.32 0.66 -1.08 0.00 3.38 -0.91 -2.07 115.31 115.62 3gqj h LEU 63 Ca 0.25 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.17 3gqj h LEU 63 Cb 0.30 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.83 3gqj h LEU 63 CO -0.28 0.54 0.62 -0.74 0.09 0.00 0.00 178.44 178.67 3gqj h HIS 64 N 0.73 1.17 0.00 1.13 2.76 -0.73 -2.04 115.15 118.18 3gqj h HIS 64 Ca 0.19 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.39 3gqj h HIS 64 Cb 0.01 -0.39 0.00 0.00 1.55 0.00 0.00 27.41 28.57 3gqj h HIS 64 CO -0.02 0.71 0.00 -0.91 -1.30 0.00 0.00 177.93 176.41 3gqj h ASN 65 N 1.24 0.00 -3.54 3.26 2.35 -0.47 -3.39 115.58 115.03 3gqj h ASN 65 Ca 0.36 0.00 -0.52 0.00 -0.55 0.00 0.00 56.30 55.59 3gqj h ASN 65 Cb -0.06 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 3gqj h ASN 65 CO -0.10 0.00 0.32 -0.62 -1.65 0.00 0.00 177.43 175.38 3gqj s ASP 66 N -5.20 7.44 0.39 5.81 2.15 -0.83 -4.95 116.67 121.48 3gqj s ASP 66 Ca 0.05 1.72 0.08 0.00 0.43 0.00 0.00 52.55 54.83 3gqj s ASP 66 Cb 0.09 -2.56 0.83 0.00 -0.30 0.00 0.00 42.92 40.97 3gqj s ASP 66 CO 0.54 -0.05 1.99 -0.65 -0.17 0.00 0.00 175.17 176.82 3gqj h PRO 67 N 5.61 0.62 0.03 4.34 0.11 -1.86 0.79 132.00 141.64 3gqj h PRO 67 Ca -0.43 -0.04 -0.34 0.00 0.11 0.00 0.00 66.00 65.30 3gqj h PRO 67 Cb 1.21 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.13 3gqj h PRO 67 CO 0.72 0.41 -2.01 1.63 -0.21 0.00 0.00 178.00 178.53 3gqj n LYS 68 N -4.47 0.68 0.01 1.05 5.02 -1.26 -4.07 118.16 115.11 3gqj n LYS 68 Ca 0.08 0.21 0.04 0.00 -2.02 0.00 0.00 58.31 56.63 3gqj n LYS 68 Cb 0.21 -1.68 0.44 0.00 -0.02 0.00 0.00 35.03 33.97 3gqj n LYS 68 CO 0.00 0.00 0.00 0.78 -0.52 0.00 0.00 177.40 177.66 3gqj h GLY 69 N 2.78 0.55 1.34 0.72 0.00 -1.66 -2.49 103.07 104.32 3gqj h GLY 69 Ca -0.41 -0.21 -0.02 0.00 0.00 0.00 0.00 47.33 46.69 3gqj h GLY 69 CO 0.05 0.20 0.28 -0.57 0.00 0.00 0.00 176.54 176.50 3gqj h ASN 70 N 0.53 0.77 0.70 0.19 -0.73 -0.12 -1.38 115.58 115.54 3gqj h ASN 70 Ca 0.15 -0.08 -0.19 0.00 1.87 0.00 0.00 56.30 58.05 3gqj h ASN 70 Cb -0.05 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 38.33 3gqj h ASN 70 CO -0.03 0.66 -0.86 0.11 -0.37 0.00 0.00 177.43 176.94 3gqj h LYS 71 N 0.85 0.10 0.01 6.67 1.79 -1.61 -1.89 116.57 122.50 3gqj h LYS 71 Ca 0.21 -0.12 -0.00 0.00 -2.18 0.00 0.00 60.65 58.56 3gqj h LYS 71 Cb 0.10 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 3gqj h LYS 71 CO -0.03 0.90 -0.01 -0.07 -1.08 0.00 0.00 179.45 179.17 3gqj h LEU 72 N 0.06 -0.01 -0.12 2.94 3.38 -1.29 -3.17 115.31 117.09 3gqj h LEU 72 Ca -0.03 -0.34 -0.03 0.00 0.09 0.00 0.00 57.88 57.57 3gqj h LEU 72 Cb 1.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.24 3gqj h LEU 72 CO 0.12 0.33 -0.04 0.25 0.09 0.00 0.00 178.44 179.20 3gqj h LEU 73 N -0.36 0.25 -3.64 1.67 5.85 -1.26 -3.30 115.31 114.51 3gqj h LEU 73 Ca -0.00 -0.38 -0.11 0.00 0.84 0.00 0.00 57.88 58.23 3gqj h LEU 73 Cb 0.35 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.25 3gqj h LEU 73 CO 0.00 0.57 0.13 0.79 -0.34 0.00 0.00 178.44 179.60 3gqj n TRP 74 N -4.72 2.29 -1.23 1.25 5.03 -0.71 -4.86 117.44 114.48 3gqj n TRP 74 Ca -0.06 -0.95 -0.33 0.00 3.03 0.00 0.00 57.50 59.19 3gqj n TRP 74 Cb 0.26 -0.60 0.11 0.00 -1.03 0.00 0.00 31.31 30.04 3gqj n TRP 74 CO 0.00 0.00 0.00 1.21 -0.03 0.00 0.00 177.69 178.87 3gqj s ASN 75 N -0.88 3.94 -0.26 -0.99 3.84 -1.20 -4.97 114.94 114.43 3gqj s ASN 75 Ca 0.55 2.22 0.12 0.00 0.21 0.00 0.00 52.86 55.96 3gqj s ASN 75 Cb 0.43 -2.57 0.60 0.00 -0.55 0.00 0.00 41.25 39.16 3gqj s ASN 75 CO 0.15 -2.43 1.57 -0.90 -2.79 0.00 0.00 177.10 172.70 3gqj n ASP 76 N -3.23 3.83 -4.55 -4.21 5.75 -1.26 -4.90 116.55 107.98 3gqj n ASP 76 Ca 0.12 -3.29 -0.42 0.00 -0.01 0.00 0.00 54.79 51.19 3gqj n ASP 76 Cb 0.51 -0.64 -0.03 0.00 -1.03 0.00 0.00 41.12 39.93 3gqj n ASP 76 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3gqj s ASN 77 N -1.79 6.26 0.15 -1.12 3.84 -1.26 -4.86 114.94 116.16 3gqj s ASN 77 Ca 0.47 -0.30 0.19 0.00 0.21 0.00 0.00 52.86 53.44 3gqj s ASN 77 Cb 0.39 -2.54 -0.04 0.00 -0.55 0.00 0.00 41.25 38.51 3gqj s ASN 77 CO 0.08 -1.67 0.99 -0.50 -2.79 0.00 0.00 177.10 173.21 3gqj h TRP 78 N 9.81 0.00 0.11 0.43 4.06 -1.95 -3.38 115.95 125.03 3gqj h TRP 78 Ca -0.27 0.00 -0.27 0.00 2.06 0.00 0.00 58.89 60.41 3gqj h TRP 78 Cb 1.05 0.00 -0.00 0.00 -1.00 0.00 0.00 29.16 29.21 3gqj h TRP 78 CO 1.08 0.29 -1.23 1.96 -3.56 0.00 0.00 178.44 176.98 3gqj h GLN 79 N 0.00 0.23 -6.34 0.49 4.20 -1.89 -3.34 115.11 108.45 3gqj h GLN 79 Ca -0.07 -0.38 -0.51 0.00 0.06 0.00 0.00 58.65 57.74 3gqj h GLN 79 Cb 1.28 0.14 -0.01 0.00 0.30 0.00 0.00 27.48 29.20 3gqj h GLN 79 CO 0.02 1.17 -0.27 -0.51 -0.67 0.00 0.00 178.83 178.57 3gqj s ASP 80 N -7.06 6.37 0.32 1.46 1.01 -1.26 -4.75 116.67 112.76 3gqj s ASP 80 Ca -0.04 0.44 -0.29 0.00 0.71 0.00 0.00 52.55 53.38 3gqj s ASP 80 Cb 0.07 -2.02 -0.12 0.00 1.01 0.00 0.00 42.92 41.86 3gqj s ASP 80 CO 0.87 -0.13 1.32 0.29 0.21 0.00 0.00 175.17 177.73 3gqj n LYS 81 N -1.05 2.14 -0.20 8.23 5.02 -1.26 -4.85 118.16 126.19 3gqj n LYS 81 Ca -0.05 0.75 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 3gqj n LYS 81 Cb 0.55 -2.36 0.25 0.00 -0.02 0.00 0.00 35.03 33.45 3gqj n LYS 81 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 3gqj h ILE 82 N 2.66 1.19 0.00 -0.18 2.10 -1.89 0.88 117.51 122.27 3gqj h ILE 82 Ca -0.46 -0.38 0.00 0.00 1.08 0.00 0.00 64.86 65.10 3gqj h ILE 82 Cb 1.28 0.15 0.00 0.00 -1.09 0.00 0.00 36.82 37.16 3gqj h ILE 82 CO 0.65 0.19 0.00 0.16 -1.08 0.00 0.00 178.15 178.08 3gqj h ILE 83 N 0.98 0.00 0.00 2.19 -0.00 -1.92 -1.87 117.51 116.89 3gqj h ILE 83 Ca 0.26 -0.30 0.00 0.00 -0.00 0.00 0.00 64.86 64.82 3gqj h ILE 83 Cb -0.08 1.13 0.00 0.00 -0.00 0.00 0.00 36.82 37.87 3gqj h ILE 83 CO -0.05 0.00 0.00 0.59 -0.00 0.00 0.00 178.15 178.69 3gqj n ASN 84 N -2.59 0.00 -4.73 2.16 3.02 0.30 -4.86 115.26 108.56 3gqj n ASN 84 Ca 0.01 -1.40 -0.41 0.00 -0.03 0.00 0.00 54.58 52.75 3gqj n ASN 84 Cb 0.24 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.36 3gqj n ASN 84 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 3gqj s ARG 85 N -2.00 4.65 -0.22 3.52 0.52 -0.71 -4.99 118.95 119.73 3gqj s ARG 85 Ca 0.21 1.57 0.01 0.00 -0.52 0.00 0.00 55.73 57.01 3gqj s ARG 85 Cb 0.10 -3.33 0.04 0.00 0.52 0.00 0.00 34.95 32.27 3gqj s ARG 85 CO 0.16 0.15 -0.14 0.34 0.02 0.00 0.00 175.30 175.84 3gqj s ASP 86 N -0.06 3.84 0.19 0.23 2.15 -1.26 -5.00 116.67 116.76 3gqj s ASP 86 Ca 0.48 -0.97 -0.12 0.00 0.43 0.00 0.00 52.55 52.36 3gqj s ASP 86 Cb -0.26 -1.54 0.21 0.00 -0.30 0.00 0.00 42.92 41.03 3gqj s ASP 86 CO 0.32 -0.09 1.71 0.25 -0.17 0.00 0.00 175.17 177.19 3gqj h LEU 87 N 7.89 -0.01 -0.50 -1.34 5.85 -1.96 0.91 115.31 126.16 3gqj h LEU 87 Ca -0.33 0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.50 3gqj h LEU 87 Cb 1.10 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 3gqj h LEU 87 CO 0.56 0.02 0.30 0.00 -0.34 0.00 0.00 178.44 178.98 3gqj h ALA 88 N 1.41 0.63 -0.40 1.25 0.00 -1.98 0.04 119.26 120.21 3gqj h ALA 88 Ca 0.26 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.08 3gqj h ALA 88 Cb 0.37 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3gqj h ALA 88 CO -0.35 0.01 -0.06 -0.97 0.00 0.00 0.00 179.25 177.88 3gqj h ASN 89 N 0.60 0.75 -0.26 0.00 -0.73 -1.72 0.10 115.58 114.33 3gqj h ASN 89 Ca 0.20 -0.34 -0.01 0.00 1.87 0.00 0.00 56.30 58.01 3gqj h ASN 89 Cb 0.01 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.38 3gqj h ASN 89 CO -0.08 0.91 0.11 0.40 -0.37 0.00 0.00 177.43 178.40 3gqj h ILE 90 N 0.57 1.17 -0.04 2.57 2.04 -0.60 -1.73 117.51 121.48 3gqj h ILE 90 Ca 0.11 -0.51 -0.11 0.00 1.00 0.00 0.00 64.86 65.34 3gqj h ILE 90 Cb 0.57 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 3gqj h ILE 90 CO 0.03 0.17 -0.49 -0.26 0.00 0.00 0.00 178.15 177.61 3gqj h PHE 91 N 0.27 0.12 -0.47 1.37 -1.00 -0.89 -2.55 116.94 113.79 3gqj h PHE 91 Ca 0.09 -0.04 -0.08 0.00 2.81 0.00 0.00 57.97 60.75 3gqj h PHE 91 Cb 0.17 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.69 3gqj h PHE 91 CO -0.01 0.57 -0.05 1.49 -1.61 0.00 0.00 178.31 178.71 3gqj h GLU 92 N 0.08 0.81 -0.59 1.51 4.81 -0.59 0.12 114.58 120.73 3gqj h GLU 92 Ca 0.00 -0.24 -0.06 0.00 -0.13 0.00 0.00 59.36 58.93 3gqj h GLU 92 Cb 0.89 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.17 3gqj h GLU 92 CO 0.07 0.85 0.15 0.87 -0.73 0.00 0.00 179.01 180.21 3gqj h LYS 93 N 0.75 0.95 -0.12 1.92 1.57 -1.06 0.13 116.57 120.70 3gqj h LYS 93 Ca 0.14 -0.23 -0.00 0.00 -1.87 0.00 0.00 60.65 58.69 3gqj h LYS 93 Cb 0.52 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3gqj h LYS 93 CO 0.03 0.87 0.06 0.82 -0.57 0.00 0.00 179.45 180.66 3gqj h ILE 94 N 0.86 1.12 -0.60 1.86 2.04 -1.05 -2.31 117.51 119.43 3gqj h ILE 94 Ca 0.19 -0.36 0.06 0.00 1.00 0.00 0.00 64.86 65.75 3gqj h ILE 94 Cb 0.35 1.14 -0.05 0.00 -0.74 0.00 0.00 36.82 37.51 3gqj h ILE 94 CO 0.00 0.11 0.32 0.44 0.00 0.00 0.00 178.15 179.02 3gqj h ASP 95 N 0.07 0.46 -0.48 1.72 3.32 -0.58 -1.23 116.42 119.71 3gqj h ASP 95 Ca 0.04 0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.01 3gqj h ASP 95 Cb 0.12 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 3gqj h ASP 95 CO -0.01 0.30 -0.12 -0.33 -1.72 0.00 0.00 179.24 177.37 3gqj h GLU 96 N 0.59 0.96 -0.10 3.56 5.08 -0.91 0.10 114.58 123.87 3gqj h GLU 96 Ca 0.27 -0.35 -0.05 0.00 -1.00 0.00 0.00 59.36 58.24 3gqj h GLU 96 Cb 0.18 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3gqj h GLU 96 CO -0.18 1.01 -0.15 0.77 -1.00 0.00 0.00 179.01 179.47 3gqj h SER 97 N 0.85 0.15 0.19 1.42 0.02 -1.02 -0.59 113.55 114.57 3gqj h SER 97 Ca 0.13 -0.03 -0.29 0.00 -0.84 0.00 0.00 61.79 60.77 3gqj h SER 97 Cb 0.66 -0.04 0.03 0.00 0.14 0.00 0.00 62.40 63.20 3gqj h SER 97 CO 0.05 0.31 -1.25 0.58 -1.14 0.00 0.00 176.83 175.39 3gqj h VAL 98 N 0.15 1.33 -0.64 2.27 2.07 -0.77 -3.20 116.25 117.45 3gqj h VAL 98 Ca 0.03 -2.57 -0.05 0.00 0.82 0.00 0.00 66.70 64.93 3gqj h VAL 98 Cb 0.36 2.96 -0.03 0.00 -1.52 0.00 0.00 31.29 33.06 3gqj h VAL 98 CO 0.02 0.76 0.19 0.28 0.02 0.00 0.00 177.57 178.84 3gqj h SER 99 N 0.07 0.93 -0.10 0.57 0.02 -0.65 -0.11 113.55 114.28 3gqj h SER 99 Ca -0.21 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.55 3gqj h SER 99 Cb 1.96 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 64.25 3gqj h SER 99 CO 0.24 0.88 0.01 -0.08 -1.14 0.00 0.00 176.83 176.73 3gqj h GLU 100 N 0.95 0.24 -0.55 3.45 4.81 -1.18 -1.27 114.58 121.04 3gqj h GLU 100 Ca 0.21 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 3gqj h GLU 100 Cb 0.29 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.63 3gqj h GLU 100 CO -0.01 0.26 0.00 1.28 -0.73 0.00 0.00 179.01 179.81 3gqj n LEU 101 N -4.41 3.02 0.00 1.64 4.77 -1.03 -4.92 117.00 116.08 3gqj n LEU 101 Ca -0.00 -1.51 0.00 0.00 -0.03 0.00 0.00 56.01 54.46 3gqj n LEU 101 Cb 0.16 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 3gqj n LEU 101 CO 0.36 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.71 3gqj n GLY 102 N 1.23 0.72 0.00 -0.72 0.00 -0.48 -4.24 105.19 101.70 3gqj n GLY 102 Ca 0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3gqj n GLY 102 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gqj n GLY 103 N -2.47 1.27 0.29 -0.02 0.00 -0.08 -4.64 105.19 99.54 3gqj n GLY 103 Ca 0.00 -2.12 -0.10 0.00 0.00 0.00 0.00 46.02 43.80 3gqj n GLY 103 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gqj h LEU 104 N 0.00 1.04 -0.39 0.99 5.85 -1.94 0.25 115.31 121.11 3gqj h LEU 104 Ca 0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.34 3gqj h LEU 104 Cb 0.00 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.73 3gqj h LEU 104 CO 0.00 1.14 0.11 -0.08 -0.34 0.00 0.00 178.44 179.27 3gqj h GLU 105 N 0.92 0.62 -0.49 1.25 4.22 -1.97 -0.94 114.58 118.19 3gqj h GLU 105 Ca 0.14 -0.14 -0.08 0.00 0.08 0.00 0.00 59.36 59.37 3gqj h GLU 105 Cb 0.67 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.82 3gqj h GLU 105 CO 0.05 0.63 0.01 0.52 -2.18 0.00 0.00 179.01 178.04 3gqj h MET 106 N 0.49 0.86 -0.40 1.92 2.86 -1.77 -1.87 114.93 117.02 3gqj h MET 106 Ca 0.13 -0.27 0.05 0.00 -2.06 0.00 0.00 59.70 57.55 3gqj h MET 106 Cb 0.28 -0.08 -0.05 0.00 0.06 0.00 0.00 31.60 31.81 3gqj h MET 106 CO -0.00 0.89 0.11 -0.92 1.06 0.00 0.00 176.91 178.05 3gqj h TYR 107 N 0.72 0.19 -0.77 -0.22 3.20 -0.74 -1.53 116.97 117.82 3gqj h TYR 107 Ca 0.14 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.98 3gqj h TYR 107 Cb 0.50 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.71 3gqj h TYR 107 CO 0.04 0.06 0.28 1.96 -1.64 0.00 0.00 178.16 178.85 3gqj h GLN 108 N 0.26 1.16 -0.90 1.82 4.20 -1.01 0.65 115.11 121.29 3gqj h GLN 108 Ca 0.19 -0.22 0.05 0.00 0.06 0.00 0.00 58.65 58.72 3gqj h GLN 108 Cb 0.20 -0.18 -0.06 0.00 0.30 0.00 0.00 27.48 27.74 3gqj h GLN 108 CO -0.22 0.96 0.58 0.93 -0.67 0.00 0.00 178.83 180.41 3gqj h GLU 109 N 1.13 1.06 0.00 1.46 5.08 -0.90 0.89 114.58 123.30 3gqj h GLU 109 Ca 0.25 -0.06 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 3gqj h GLU 109 Cb 0.25 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 3gqj h GLU 109 CO -0.02 0.70 -0.73 0.52 -1.00 0.00 0.00 179.01 178.49 3gqj h MET 110 N 1.10 0.00 0.00 2.33 2.86 -0.71 -3.40 114.93 117.10 3gqj h MET 110 Ca 0.37 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.96 3gqj h MET 110 Cb 0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3gqj h MET 110 CO -0.14 0.19 -1.20 0.28 1.06 0.00 0.00 176.91 177.10 3gqj n VAL 111 N -2.96 0.20 -0.66 -2.22 0.31 0.17 -5.03 118.33 108.14 3gqj n VAL 111 Ca -0.01 -0.11 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3gqj n VAL 111 Cb 0.66 -0.86 0.00 0.00 -0.91 0.00 0.00 33.84 32.73 3gqj n VAL 111 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gqj n GLY 112 N 2.94 0.66 3.00 2.92 0.00 0.30 -5.04 105.19 109.98 3gqj n GLY 112 Ca -0.05 -0.06 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 3gqj n GLY 112 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqj s VAL 113 N -2.00 0.12 -0.41 1.61 -7.23 -1.26 -5.06 120.40 106.17 3gqj s VAL 113 Ca 0.00 -0.99 -0.18 0.00 -1.81 0.00 0.00 61.98 59.01 3gqj s VAL 113 Cb 0.00 -0.40 0.02 0.00 0.56 0.00 0.00 36.38 36.55 3gqj s VAL 113 CO 0.00 -0.54 0.48 0.21 -0.31 0.00 0.00 175.10 174.94 3gqj s ASN 114 N -1.61 6.23 0.00 4.85 3.84 -1.26 -4.31 114.94 122.68 3gqj s ASN 114 Ca -0.14 -0.52 0.23 0.00 0.21 0.00 0.00 52.86 52.65 3gqj s ASN 114 Cb -0.08 -2.24 1.24 0.00 -0.55 0.00 0.00 41.25 39.62 3gqj s ASN 114 CO -0.02 -0.59 1.75 -0.81 -2.79 0.00 0.00 177.10 174.64 3gqj n PRO 115 N 5.73 0.48 0.05 0.43 -0.04 -1.26 -1.34 135.00 139.04 3gqj n PRO 115 Ca -0.06 0.05 0.12 0.00 -0.04 0.00 0.00 63.50 63.57 3gqj n PRO 115 Cb 0.48 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.67 3gqj n PRO 115 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gqj n TYR 116 N -1.18 0.41 -1.78 0.54 4.01 -1.26 -4.90 117.16 113.01 3gqj n TYR 116 Ca 0.13 0.12 -0.34 0.00 -0.16 0.00 0.00 57.90 57.65 3gqj n TYR 116 Cb 0.14 -0.57 0.05 0.00 -0.31 0.00 0.00 39.34 38.66 3gqj n TYR 116 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3gqj s ASP 117 N -3.88 4.94 0.62 7.72 1.01 -0.45 -4.97 116.67 121.66 3gqj s ASP 117 Ca 0.08 2.19 -0.18 0.00 0.71 0.00 0.00 52.55 55.35 3gqj s ASP 117 Cb 0.15 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.48 3gqj s ASP 117 CO 0.70 -1.75 1.23 -2.16 0.21 0.00 0.00 175.17 173.39 3gqj s PRO 118 N -3.80 2.81 0.02 8.23 0.04 -1.26 -5.00 135.00 136.03 3gqj s PRO 118 Ca 0.72 1.87 -0.23 0.00 0.04 0.00 0.00 61.00 63.40 3gqj s PRO 118 Cb -0.25 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3gqj s PRO 118 CO 0.39 -1.35 0.68 0.99 0.04 0.00 0.00 177.00 177.76 3gqj s THR 119 N -1.59 4.82 -0.50 1.26 2.01 -1.26 -5.04 115.64 115.35 3gqj s THR 119 Ca 0.78 1.44 -0.08 0.00 0.31 0.00 0.00 61.69 64.15 3gqj s THR 119 Cb -0.32 -4.03 0.13 0.00 0.01 0.00 0.00 72.50 68.29 3gqj s THR 119 CO 0.36 0.39 0.36 -0.70 -0.69 0.00 0.00 174.62 174.33 3gqj s GLU 120 N -0.10 2.48 0.28 4.92 2.56 -1.26 -5.07 118.70 122.50 3gqj s GLU 120 Ca 0.35 -1.90 -0.29 0.00 0.00 0.00 0.00 54.97 53.13 3gqj s GLU 120 Cb -0.19 -3.88 -0.09 0.00 2.00 0.00 0.00 34.13 31.96 3gqj s GLU 120 CO 0.20 -1.18 1.06 -1.25 -0.56 0.00 0.00 175.26 173.53 3gqj s PRO 121 N 1.11 4.67 0.99 4.30 0.04 -1.26 -5.02 135.00 139.83 3gqj s PRO 121 Ca 0.08 1.72 -0.15 0.00 0.04 0.00 0.00 61.00 62.69 3gqj s PRO 121 Cb -0.24 -3.18 0.19 0.00 0.04 0.00 0.00 34.50 31.30 3gqj s PRO 121 CO -0.02 0.27 1.18 0.14 0.04 0.00 0.00 177.00 178.61 3gqj s VAL 122 N -1.19 1.90 0.23 -0.36 -7.23 -1.26 -4.58 120.40 107.91 3gqj s VAL 122 Ca 0.44 0.00 -0.07 0.00 -1.81 0.00 0.00 61.98 60.54 3gqj s VAL 122 Cb -0.30 -2.76 0.18 0.00 0.56 0.00 0.00 36.38 34.06 3gqj s VAL 122 CO 0.38 0.00 1.80 0.00 -0.31 0.00 0.00 175.10 176.98 3gqj h GLY 124 N 0.72 0.23 1.00 0.00 0.00 -1.89 -1.86 103.07 101.28 3gqj h GLY 124 Ca 0.35 -0.35 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 3gqj h GLY 124 CO -0.22 0.31 -0.14 -2.00 0.00 0.00 0.00 176.54 174.49 3gqj h LEU 125 N 0.14 0.82 -0.08 3.11 5.85 -1.58 -1.93 115.31 121.63 3gqj h LEU 125 Ca -0.03 -0.38 -0.12 0.00 0.84 0.00 0.00 57.88 58.19 3gqj h LEU 125 Cb 1.32 -0.23 0.01 0.00 0.37 0.00 0.00 40.66 42.13 3gqj h LEU 125 CO 0.11 1.02 -0.41 0.77 -0.34 0.00 0.00 178.44 179.59 3gqj h SER 126 N 0.62 0.50 -0.27 1.25 4.64 -1.30 -3.03 113.55 115.95 3gqj h SER 126 Ca 0.10 -0.65 -0.01 0.00 -0.47 0.00 0.00 61.79 60.75 3gqj h SER 126 Cb 0.68 -0.15 -0.01 0.00 -0.31 0.00 0.00 62.40 62.61 3gqj h SER 126 CO 0.05 1.07 0.13 0.00 -0.87 0.00 0.00 176.83 177.21 3gqj h ALA 127 N 0.44 0.35 -0.29 5.18 0.00 -1.38 -0.44 119.26 123.13 3gqj h ALA 127 Ca -0.03 -0.10 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 3gqj h ALA 127 Cb 1.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 3gqj h ALA 127 CO 0.08 -0.08 -0.23 1.96 0.00 0.00 0.00 179.25 180.98 3gqj h GLN 128 N 0.31 0.56 -0.14 0.00 4.20 -1.46 -0.78 115.11 117.80 3gqj h GLN 128 Ca 0.09 -0.21 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 3gqj h GLN 128 Cb 0.12 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 3gqj h GLN 128 CO -0.01 0.75 -0.13 -0.91 -0.67 0.00 0.00 178.83 177.86 3gqj h ASN 129 N 0.50 0.36 -0.38 1.46 2.35 -1.38 -2.16 115.58 116.33 3gqj h ASN 129 Ca 0.07 -0.47 -0.01 0.00 -0.55 0.00 0.00 56.30 55.34 3gqj h ASN 129 Cb 0.67 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.92 3gqj h ASN 129 CO 0.05 0.76 0.20 0.40 -1.65 0.00 0.00 177.43 177.18 3gqj h ILE 130 N -0.03 1.15 -0.68 2.81 2.04 -1.01 -2.07 117.51 119.71 3gqj h ILE 130 Ca 0.02 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 3gqj h ILE 130 Cb 0.65 0.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.31 3gqj h ILE 130 CO 0.03 0.17 0.36 0.15 0.00 0.00 0.00 178.15 178.86 3gqj h PHE 131 N 0.58 0.95 -0.70 1.37 3.57 -1.04 -1.55 116.94 120.12 3gqj h PHE 131 Ca 0.15 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.56 3gqj h PHE 131 Cb 0.07 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 3gqj h PHE 131 CO 0.00 0.68 0.22 0.87 -2.23 0.00 0.00 178.31 177.86 3gqj h LYS 132 N 0.94 1.08 -0.87 1.11 1.57 -1.06 -0.70 116.57 118.64 3gqj h LYS 132 Ca 0.24 -0.23 0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3gqj h LYS 132 Cb 0.06 -0.16 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 3gqj h LYS 132 CO -0.04 0.93 0.53 -0.07 -0.57 0.00 0.00 179.45 180.23 3gqj h LEU 133 N 1.02 0.79 -0.06 2.94 3.38 -0.91 -2.08 115.31 120.39 3gqj h LEU 133 Ca 0.23 0.03 -0.24 0.00 0.09 0.00 0.00 57.88 57.98 3gqj h LEU 133 Cb 0.29 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3gqj h LEU 133 CO -0.01 0.47 -1.07 0.24 0.09 0.00 0.00 178.44 178.17 3gqj h MET 134 N 0.91 0.35 0.00 1.13 2.86 -0.88 -3.35 114.93 115.95 3gqj h MET 134 Ca 0.40 -0.45 0.00 0.00 -2.06 0.00 0.00 59.70 57.60 3gqj h MET 134 Cb 0.29 0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.10 3gqj h MET 134 CO -0.22 1.15 -1.35 0.25 1.06 0.00 0.00 176.91 177.81 3gqj n THR 135 N -3.66 0.00 -3.23 2.22 -2.24 -0.31 -4.19 114.28 102.87 3gqj n THR 135 Ca -0.07 -0.22 -0.39 0.00 -2.27 0.00 0.00 64.05 61.10 3gqj n THR 135 Cb 0.91 0.59 -0.06 0.00 -2.10 0.00 0.00 70.33 69.67 3gqj n THR 135 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 3gqj s GLU 136 N -3.07 4.28 0.00 -0.78 2.02 -0.80 -4.91 118.70 115.43 3gqj s GLU 136 Ca 0.01 0.73 0.00 0.00 0.02 0.00 0.00 54.97 55.73 3gqj s GLU 136 Cb 0.14 -3.31 0.00 0.00 0.10 0.00 0.00 34.13 31.06 3gqj s GLU 136 CO 0.81 0.45 0.00 0.41 0.02 0.00 0.00 175.26 176.95 3gqj n GLY 137 N 2.24 1.13 0.03 -1.39 0.00 -1.26 -4.76 105.19 101.19 3gqj n GLY 137 Ca -0.08 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.05 3gqj n GLY 137 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3gqj n GLU 138 N 0.00 0.23 -4.35 1.61 1.02 -1.26 -4.91 120.64 112.99 3gqj n GLU 138 Ca 0.00 0.02 -0.31 0.00 -0.02 0.00 0.00 57.16 56.85 3gqj n GLU 138 Cb 0.00 -1.59 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 3gqj n GLU 138 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 3gqj s HIS 139 N -3.15 2.83 0.53 -0.32 3.76 -1.26 -5.07 115.29 112.61 3gqj s HIS 139 Ca 0.06 -0.09 -0.19 0.00 -0.15 0.00 0.00 55.06 54.68 3gqj s HIS 139 Cb 0.15 -1.53 -0.06 0.00 1.11 0.00 0.00 32.58 32.25 3gqj s HIS 139 CO 0.77 0.40 1.06 0.00 -0.85 0.00 0.00 174.74 176.12 3gqj s ALA 140 N -1.11 2.79 -0.18 -1.40 0.00 -1.26 -4.61 121.76 115.98 3gqj s ALA 140 Ca 0.20 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.76 3gqj s ALA 140 Cb -0.11 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.76 3gqj s ALA 140 CO 0.11 -0.56 -0.18 0.08 0.00 0.00 0.00 175.76 175.21 3gqj s VAL 141 N -2.08 1.94 -0.50 0.00 1.01 -1.26 -5.00 120.40 114.51 3gqj s VAL 141 Ca 0.67 -0.92 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 3gqj s VAL 141 Cb -0.18 -1.79 0.08 0.00 0.00 0.00 0.00 36.38 34.49 3gqj s VAL 141 CO 0.26 0.47 0.49 -0.62 0.00 0.00 0.00 175.10 175.71 3gqj s ASP 142 N 1.33 6.18 0.43 3.32 -1.08 -1.25 -4.83 116.67 120.76 3gqj s ASP 142 Ca 0.04 -1.30 0.22 0.00 -0.52 0.00 0.00 52.55 50.99 3gqj s ASP 142 Cb -0.14 -2.22 0.92 0.00 -1.46 0.00 0.00 42.92 40.03 3gqj s ASP 142 CO -0.12 -0.78 1.84 1.55 0.52 0.00 0.00 175.17 178.18 3gqj h PRO 143 N 8.87 0.00 -0.27 4.34 0.13 -1.91 -0.73 132.00 142.43 3gqj h PRO 143 Ca -0.29 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 3gqj h PRO 143 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 3gqj h PRO 143 CO 0.94 0.26 0.03 0.28 -0.23 0.00 0.00 178.00 179.29 3gqj h VAL 144 N 0.00 1.24 0.10 1.56 2.07 -1.92 -1.68 116.25 117.62 3gqj h VAL 144 Ca -0.00 -0.82 -0.01 0.00 0.82 0.00 0.00 66.70 66.69 3gqj h VAL 144 Cb 0.72 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 3gqj h VAL 144 CO 0.03 0.26 -0.05 -0.08 0.02 0.00 0.00 177.57 177.76 3gqj h GLU 145 N 0.27 -0.13 -0.65 1.57 4.81 -1.87 -3.25 114.58 115.32 3gqj h GLU 145 Ca 0.08 0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.28 3gqj h GLU 145 Cb 0.36 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3gqj h GLU 145 CO 0.01 0.25 0.24 0.52 -0.73 0.00 0.00 179.01 179.29 3gqj h MET 146 N -0.54 0.97 -0.59 1.92 2.86 -1.21 -1.26 114.93 117.09 3gqj h MET 146 Ca -0.01 -0.17 0.15 0.00 -2.06 0.00 0.00 59.70 57.60 3gqj h MET 146 Cb 0.44 -0.16 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 3gqj h MET 146 CO 0.02 0.81 0.41 0.00 1.06 0.00 0.00 176.91 179.22 3gqj h ALA 147 N 1.31 2.38 0.12 6.32 0.00 -1.38 0.26 119.26 128.27 3gqj h ALA 147 Ca 0.22 -0.01 -0.36 0.00 0.00 0.00 0.00 54.91 54.76 3gqj h ALA 147 Cb 0.22 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gqj h ALA 147 CO -0.01 -0.55 -1.93 1.96 0.00 0.00 0.00 179.25 178.72 3gqj h GLN 148 N 0.12 0.26 0.00 0.00 4.20 -1.39 -3.34 115.11 114.96 3gqj h GLN 148 Ca 0.28 -0.44 -0.13 0.00 0.06 0.00 0.00 58.65 58.42 3gqj h GLN 148 Cb 0.95 0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.87 3gqj h GLN 148 CO -0.03 1.16 -1.31 1.79 -0.67 0.00 0.00 178.83 179.77 3gqj h THR 149 N 0.07 0.39 -0.31 -0.54 1.35 -1.02 -3.37 112.91 109.49 3gqj h THR 149 Ca -0.40 -1.78 0.00 0.00 -0.55 0.00 0.00 66.41 63.68 3gqj h THR 149 Cb 2.04 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 3gqj h THR 149 CO 0.10 0.22 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3gqj n GLY 150 N 1.35 3.45 3.75 5.82 0.00 0.89 -5.04 105.19 115.39 3gqj n GLY 150 Ca -0.07 -0.74 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 3gqj n GLY 150 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3gqj s LYS 151 N -2.01 4.11 0.25 1.61 2.20 -1.25 -4.67 119.74 119.98 3gqj s LYS 151 Ca 0.34 2.60 0.07 0.00 -0.36 0.00 0.00 55.97 58.62 3gqj s LYS 151 Cb 0.24 -3.02 -0.05 0.00 -1.51 0.00 0.00 37.83 33.49 3gqj s LYS 151 CO 0.12 -0.66 -0.09 0.96 -0.36 0.00 0.00 175.35 175.33 3gqj s ILE 152 N 0.06 1.69 0.60 5.43 -4.36 0.12 -4.92 121.20 119.81 3gqj s ILE 152 Ca 0.64 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.89 3gqj s ILE 152 Cb -0.48 -2.31 0.07 0.00 1.25 0.00 0.00 42.46 40.98 3gqj s ILE 152 CO 0.48 -0.40 0.83 1.51 0.24 0.00 0.00 174.94 177.59 3gqj s ASP 153 N -3.40 4.99 0.38 4.36 1.47 -1.26 -0.17 116.67 123.04 3gqj s ASP 153 Ca 0.27 -0.27 0.07 0.00 1.18 0.00 0.00 52.55 53.80 3gqj s ASP 153 Cb 0.02 -0.43 0.76 0.00 -0.34 0.00 0.00 42.92 42.93 3gqj s ASP 153 CO 0.10 -1.36 1.97 1.23 0.68 0.00 0.00 175.17 177.79 3gqj h GLY 154 N -0.05 0.50 1.54 2.12 0.00 -1.72 0.36 103.07 105.82 3gqj h GLY 154 Ca -0.38 -0.25 -0.21 0.00 0.00 0.00 0.00 47.33 46.49 3gqj h GLY 154 CO 0.46 0.23 -0.87 3.43 0.00 0.00 0.00 176.54 179.80 3gqj h ASN 155 N 0.47 0.54 -0.54 0.19 4.21 -1.92 -2.43 115.58 116.09 3gqj h ASN 155 Ca 0.11 -0.40 -0.08 0.00 1.21 0.00 0.00 56.30 57.14 3gqj h ASN 155 Cb 0.16 -0.16 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 3gqj h ASN 155 CO -0.01 1.18 0.06 -0.33 -1.29 0.00 0.00 177.43 177.05 3gqj h GLU 156 N 0.26 0.95 -0.28 0.81 5.08 -1.77 -2.41 114.58 117.22 3gqj h GLU 156 Ca -0.06 -0.25 0.06 0.00 -1.00 0.00 0.00 59.36 58.10 3gqj h GLU 156 Cb 1.49 -0.11 -0.06 0.00 0.50 0.00 0.00 28.75 30.56 3gqj h GLU 156 CO 0.15 0.90 -0.10 0.35 -1.00 0.00 0.00 179.01 179.32 3gqj h PHE 157 N 0.89 -0.23 -0.45 4.33 3.57 -0.90 -0.63 116.94 123.52 3gqj h PHE 157 Ca 0.18 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 3gqj h PHE 157 Cb 0.44 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 3gqj h PHE 157 CO 0.03 -0.16 0.24 0.00 -2.23 0.00 0.00 178.31 176.19 3gqj h ALA 158 N 1.22 1.57 -0.18 2.41 0.00 -1.04 0.18 119.26 123.42 3gqj h ALA 158 Ca 0.14 -0.08 -0.16 0.00 0.00 0.00 0.00 54.91 54.81 3gqj h ALA 158 Cb 0.26 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3gqj h ALA 158 CO -0.32 0.36 -0.56 0.93 0.00 0.00 0.00 179.25 179.67 3gqj h GLU 159 N 0.63 0.55 -0.08 0.00 5.08 -1.09 -3.29 114.58 116.38 3gqj h GLU 159 Ca 0.16 -0.35 -0.03 0.00 -1.00 0.00 0.00 59.36 58.15 3gqj h GLU 159 Cb 0.04 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 3gqj h GLU 159 CO -0.03 0.96 -0.06 0.77 -1.00 0.00 0.00 179.01 179.65 3gqj h SER 160 N 0.42 0.19 -0.03 1.42 0.02 0.44 -3.30 113.55 112.70 3gqj h SER 160 Ca 0.01 -0.46 -0.02 0.00 -0.84 0.00 0.00 61.79 60.48 3gqj h SER 160 Cb 1.10 -0.05 -0.01 0.00 0.14 0.00 0.00 62.40 63.58 3gqj h SER 160 CO 0.10 0.61 -0.01 -0.37 -1.14 0.00 0.00 176.83 176.02 3gqj h VAL 161 N -0.23 1.07 0.00 2.27 -1.51 -0.81 -1.06 116.25 115.98 3gqj h VAL 161 Ca 0.01 -0.29 0.00 0.00 -1.23 0.00 0.00 66.70 65.20 3gqj h VAL 161 Cb 0.55 1.02 0.00 0.00 -2.13 0.00 0.00 31.29 30.73 3gqj h VAL 161 CO 0.02 0.09 0.00 0.47 -1.23 0.00 0.00 177.57 176.92 3gqj n ASP 162 N -4.44 0.16 -0.10 4.19 8.00 -1.24 -2.93 116.55 120.19 3gqj n ASP 162 Ca -0.01 0.55 0.05 0.00 0.71 0.00 0.00 54.79 56.08 3gqj n ASP 162 Cb 0.14 -0.58 0.06 0.00 -0.02 0.00 0.00 41.12 40.73 3gqj n ASP 162 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gqj n GLN 163 N -1.69 1.55 -2.32 -1.24 -0.00 -0.41 -5.05 117.38 108.22 3gqj n GLN 163 Ca 0.02 -1.85 -0.41 0.00 -0.00 0.00 0.00 57.00 54.77 3gqj n GLN 163 Cb 0.13 -1.12 -0.03 0.00 -0.00 0.00 0.00 30.24 29.22 3gqj n GLN 163 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 3gqj s LEU 164 N -1.65 4.47 0.06 2.61 1.43 -1.15 -4.98 118.68 119.47 3gqj s LEU 164 Ca 0.15 2.37 -0.31 0.00 -1.03 0.00 0.00 54.13 55.31 3gqj s LEU 164 Cb 0.13 -3.62 -0.08 0.00 0.03 0.00 0.00 46.19 42.65 3gqj s LEU 164 CO 0.01 -0.37 1.63 -0.55 0.23 0.00 0.00 176.35 177.31 3gqj s SER 165 N -0.24 6.62 0.00 2.29 0.15 -1.26 -4.88 113.70 116.38 3gqj s SER 165 Ca 0.50 2.45 0.10 0.00 0.70 0.00 0.00 55.95 59.71 3gqj s SER 165 Cb -0.35 -2.56 0.47 0.00 -1.71 0.00 0.00 66.02 61.87 3gqj s SER 165 CO 0.41 -0.87 1.30 -1.20 1.20 0.00 0.00 173.24 174.08 3gqj n SER 166 N 5.59 0.00 -0.12 5.45 7.64 -1.26 -1.21 113.62 129.72 3gqj n SER 166 Ca 0.16 0.38 0.13 0.00 1.01 0.00 0.00 58.87 60.55 3gqj n SER 166 Cb 0.41 -0.43 0.45 0.00 -1.01 0.00 0.00 64.21 63.63 3gqj n SER 166 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gqj n ALA 167 N -1.43 3.00 -2.52 -0.43 0.00 -1.26 -2.45 120.51 115.42 3gqj n ALA 167 Ca 0.03 -0.31 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 3gqj n ALA 167 Cb 0.11 -1.24 -0.11 0.00 0.00 0.00 0.00 19.45 18.22 3gqj n ALA 167 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gqj s LYS 168 N -2.66 1.77 -0.08 0.00 1.02 -0.35 -4.91 119.74 114.53 3gqj s LYS 168 Ca 0.22 -1.93 -0.00 0.00 0.02 0.00 0.00 55.97 54.28 3gqj s LYS 168 Cb 0.19 -1.52 -0.03 0.00 -0.52 0.00 0.00 37.83 35.95 3gqj s LYS 168 CO 0.55 0.07 -0.05 -0.80 -0.92 0.00 0.00 175.35 174.20 3gqj s ASN 169 N -3.58 4.80 0.09 2.83 0.01 -1.26 -2.71 114.94 115.13 3gqj s ASN 169 Ca 0.32 0.02 0.03 0.00 -0.71 0.00 0.00 52.86 52.52 3gqj s ASN 169 Cb 0.04 -1.27 -0.04 0.00 0.41 0.00 0.00 41.25 40.39 3gqj s ASN 169 CO 0.16 0.36 -0.09 -0.31 -1.51 0.00 0.00 177.10 175.71 3gqj s TYR 170 N -0.78 0.98 0.00 2.20 2.02 -0.31 -0.74 117.35 120.73 3gqj s TYR 170 Ca 0.12 -0.72 0.02 0.00 -0.37 0.00 0.00 57.07 56.12 3gqj s TYR 170 Cb -0.11 -0.54 -0.01 0.00 -0.40 0.00 0.00 41.96 40.90 3gqj s TYR 170 CO 0.02 -0.05 -0.05 0.54 -1.57 0.00 0.00 175.55 174.44 3gqj s VAL 171 N -2.70 0.40 -0.14 0.71 0.11 -0.15 -0.29 120.40 118.33 3gqj s VAL 171 Ca 0.06 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.73 3gqj s VAL 171 Cb -0.01 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.46 3gqj s VAL 171 CO -0.01 0.01 -0.10 0.00 -3.33 0.00 0.00 175.10 171.66 3gqj s ALA 172 N -0.36 2.71 -0.37 1.54 0.00 -0.20 -1.54 121.76 123.54 3gqj s ALA 172 Ca -0.01 -0.89 -0.17 0.00 0.00 0.00 0.00 51.96 50.89 3gqj s ALA 172 Cb -0.03 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.77 3gqj s ALA 172 CO -0.00 0.19 0.45 -1.17 0.00 0.00 0.00 175.76 175.23 3gqj s LEU 173 N 0.43 4.53 -0.23 0.00 2.96 0.09 -1.38 118.68 125.09 3gqj s LEU 173 Ca -0.08 -0.29 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 3gqj s LEU 173 Cb -0.15 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 3gqj s LEU 173 CO 0.04 -0.48 0.01 -0.69 -1.32 0.00 0.00 176.35 173.91 3gqj s VAL 174 N 2.23 3.86 -0.50 1.68 1.01 -0.06 -1.41 120.40 127.21 3gqj s VAL 174 Ca 0.15 -0.33 -0.10 0.00 0.00 0.00 0.00 61.98 61.70 3gqj s VAL 174 Cb -0.16 -2.77 0.13 0.00 0.00 0.00 0.00 36.38 33.57 3gqj s VAL 174 CO 0.13 0.39 0.38 0.21 0.00 0.00 0.00 175.10 176.22 3gqj s ASN 175 N 1.41 5.79 -0.62 3.32 2.47 0.02 -1.38 114.94 125.94 3gqj s ASN 175 Ca 0.05 -1.95 -0.24 0.00 0.42 0.00 0.00 52.86 51.14 3gqj s ASN 175 Cb -0.15 -2.04 0.05 0.00 -1.45 0.00 0.00 41.25 37.66 3gqj s ASN 175 CO 0.01 -0.71 1.03 -0.62 -3.72 0.00 0.00 177.10 173.09 3gqj s ASP 176 N 2.73 6.26 0.24 -4.21 -1.08 0.33 -1.48 116.67 119.46 3gqj s ASP 176 Ca 0.06 -0.57 0.25 0.00 -0.52 0.00 0.00 52.55 51.78 3gqj s ASP 176 Cb -0.26 -2.46 0.87 0.00 -1.46 0.00 0.00 42.92 39.61 3gqj s ASP 176 CO -0.01 -1.43 1.75 0.03 0.52 0.00 0.00 175.17 176.04 3gqj h ARG 177 N 9.54 0.00 -0.23 4.34 3.08 -1.74 0.17 114.38 129.55 3gqj h ARG 177 Ca -0.27 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.59 3gqj h ARG 177 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 3gqj h ARG 177 CO 1.16 0.00 -0.58 0.00 -1.07 0.00 0.00 179.97 179.49 3gqj h ARG 178 N 0.00 0.79 0.00 0.04 3.08 -1.78 -3.28 114.38 113.23 3gqj h ARG 178 Ca 0.00 -0.55 0.00 0.00 0.07 0.00 0.00 59.98 59.50 3gqj h ARG 178 Cb 0.61 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.74 3gqj h ARG 178 CO 0.00 1.17 -0.84 1.28 -1.07 0.00 0.00 179.97 180.51 3gqj n LEU 179 N -4.05 0.74 -3.47 3.04 4.77 -0.99 -0.58 117.00 116.46 3gqj n LEU 179 Ca -0.06 0.22 -0.21 0.00 -0.03 0.00 0.00 56.01 55.93 3gqj n LEU 179 Cb 0.64 -0.12 0.08 0.00 -2.33 0.00 0.00 43.42 41.69 3gqj n LEU 179 CO 0.50 -0.09 0.19 0.61 -1.33 0.00 0.00 177.39 177.28 3gqj n GLY 180 N 1.28 -0.45 2.86 -0.72 0.00 0.52 -4.58 105.19 104.11 3gqj n GLY 180 Ca 0.02 0.18 -0.15 0.00 0.00 0.00 0.00 46.02 46.07 3gqj n GLY 180 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3gqj s HIS 181 N -3.33 0.26 -0.09 1.61 5.04 -0.82 -4.99 115.29 112.97 3gqj s HIS 181 Ca 0.36 -0.02 0.00 0.00 -1.54 0.00 0.00 55.06 53.87 3gqj s HIS 181 Cb -0.16 -0.27 -0.03 0.00 0.04 0.00 0.00 32.58 32.16 3gqj s HIS 181 CO 0.71 -0.06 -0.08 1.41 -2.34 0.00 0.00 174.74 174.38 3gqj s MET 182 N 0.48 2.96 0.29 2.88 1.75 -1.26 -0.51 119.30 125.89 3gqj s MET 182 Ca -0.05 -0.59 -0.14 0.00 -1.25 0.00 0.00 55.69 53.67 3gqj s MET 182 Cb -0.07 -2.62 0.01 0.00 2.84 0.00 0.00 34.83 34.99 3gqj s MET 182 CO -0.01 0.52 0.58 -0.59 -0.65 0.00 0.00 175.02 174.88 3gqj s PHE 183 N -0.44 0.30 0.06 4.11 -0.12 -0.48 -4.54 117.98 116.87 3gqj s PHE 183 Ca 0.06 -0.71 0.06 0.00 -0.05 0.00 0.00 56.93 56.29 3gqj s PHE 183 Cb -0.12 0.37 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 3gqj s PHE 183 CO 0.02 -1.16 -0.10 -0.51 -0.05 0.00 0.00 175.22 173.42 3gqj s LEU 184 N -3.04 3.02 -0.24 -1.99 1.43 -0.41 -0.89 118.68 116.57 3gqj s LEU 184 Ca 0.20 -0.31 0.00 0.00 -1.03 0.00 0.00 54.13 53.00 3gqj s LEU 184 Cb -0.03 -1.79 0.04 0.00 0.03 0.00 0.00 46.19 44.45 3gqj s LEU 184 CO 0.11 0.23 -0.11 -0.63 0.23 0.00 0.00 176.35 176.18 3gqj s ILE 185 N -1.09 2.48 -0.19 -0.59 1.01 -0.48 -1.81 121.20 120.53 3gqj s ILE 185 Ca 0.19 -1.21 -0.19 0.00 0.00 0.00 0.00 60.65 59.44 3gqj s ILE 185 Cb -0.11 -2.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.05 3gqj s ILE 185 CO 0.10 0.19 0.54 -0.62 0.00 0.00 0.00 174.94 175.16 3gqj s ASP 186 N 1.25 6.61 -0.69 3.58 2.15 0.10 -1.03 116.67 128.63 3gqj s ASP 186 Ca -0.02 0.74 0.05 0.00 0.43 0.00 0.00 52.55 53.75 3gqj s ASP 186 Cb -0.17 -2.31 0.17 0.00 -0.30 0.00 0.00 42.92 40.32 3gqj s ASP 186 CO -0.06 -0.17 0.51 -0.38 -0.17 0.00 0.00 175.17 174.89 3gqj n ILE 187 N 4.45 1.58 -2.31 4.11 5.41 0.60 -0.20 119.36 133.00 3gqj n ILE 187 Ca -0.04 -4.84 -0.32 0.00 1.00 0.00 0.00 62.75 58.55 3gqj n ILE 187 Cb 0.50 -2.17 -0.03 0.00 -0.71 0.00 0.00 39.64 37.24 3gqj n ILE 187 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 3gqj s PRO 188 N -1.48 3.83 0.62 0.38 0.04 -1.26 -1.16 135.00 135.97 3gqj s PRO 188 Ca 0.26 0.98 -0.19 0.00 0.04 0.00 0.00 61.00 62.10 3gqj s PRO 188 Cb -0.03 -2.12 -0.03 0.00 0.04 0.00 0.00 34.50 32.36 3gqj s PRO 188 CO -0.16 -0.37 1.16 -1.13 0.04 0.00 0.00 177.00 176.54 3gqj n SER 189 N -1.71 1.60 -3.61 6.66 3.41 -1.10 -4.76 113.62 114.11 3gqj n SER 189 Ca 0.07 0.84 -0.15 0.00 -0.26 0.00 0.00 58.87 59.36 3gqj n SER 189 Cb 0.54 -1.49 -0.07 0.00 -0.26 0.00 0.00 64.21 62.93 3gqj n SER 189 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gqj s ASN 190 N -1.26 -0.61 -0.11 4.04 3.84 -1.02 -5.01 114.94 114.80 3gqj s ASN 190 Ca 0.78 0.94 0.17 0.00 0.21 0.00 0.00 52.86 54.96 3gqj s ASN 190 Cb -0.40 0.90 0.62 0.00 -0.55 0.00 0.00 41.25 41.82 3gqj s ASN 190 CO 0.44 -0.40 1.53 -0.90 -2.79 0.00 0.00 177.10 174.98 3gqj n ASP 191 N 1.86 4.31 0.00 -4.21 5.75 -1.26 -4.75 116.55 118.25 3gqj n ASP 191 Ca -0.17 -2.48 0.00 0.00 -0.01 0.00 0.00 54.79 52.14 3gqj n ASP 191 Cb 0.56 -0.51 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 3gqj n ASP 191 CO 0.00 0.00 0.00 1.67 -0.11 0.00 0.00 177.20 178.76 3gqj n GLN 192 N 0.72 1.79 -2.29 0.11 -0.06 -1.26 -5.10 117.38 111.30 3gqj n GLN 192 Ca 0.23 0.00 -0.42 0.00 -2.00 0.00 0.00 57.00 54.81 3gqj n GLN 192 Cb 0.82 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.97 3gqj n GLN 192 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 3gqj s GLU 193 N 4.89 4.36 -0.09 3.69 2.12 -1.26 -4.98 118.70 127.42 3gqj s GLU 193 Ca 0.00 1.92 -0.30 0.00 0.36 0.00 0.00 54.97 56.96 3gqj s GLU 193 Cb 0.00 -3.34 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3gqj s GLU 193 CO 0.00 -0.38 1.31 0.99 -0.54 0.00 0.00 175.26 176.64 3gqj s THR 194 N 1.27 4.10 0.20 -1.70 2.01 -1.26 -4.94 115.64 115.32 3gqj s THR 194 Ca 0.62 1.39 0.01 0.00 0.31 0.00 0.00 61.69 64.02 3gqj s THR 194 Cb -0.33 -3.89 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 3gqj s THR 194 CO 0.29 -0.07 0.05 0.68 -0.69 0.00 0.00 174.62 174.88 3gqj s VAL 195 N 3.01 0.52 0.23 3.82 -7.23 -1.26 -4.37 120.40 115.11 3gqj s VAL 195 Ca 0.59 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 3gqj s VAL 195 Cb -0.25 -2.33 -0.04 0.00 0.56 0.00 0.00 36.38 34.31 3gqj s VAL 195 CO 0.20 -0.26 0.03 -0.83 -0.31 0.00 0.00 175.10 173.93 3gqj s GLY 196 N -3.21 1.64 -0.03 2.32 0.00 -0.34 -4.25 107.32 103.45 3gqj s GLY 196 Ca 0.30 -1.50 0.03 0.00 0.00 0.00 0.00 44.72 43.56 3gqj s GLY 196 CO 0.08 -1.54 -0.13 -0.19 0.00 0.00 0.00 173.10 171.32 3gqj s TYR 197 N -2.05 1.29 -0.19 1.90 2.02 0.72 -0.18 117.35 120.86 3gqj s TYR 197 Ca 0.30 -0.33 -0.10 0.00 -0.37 0.00 0.00 57.07 56.57 3gqj s TYR 197 Cb -0.08 -0.88 -0.05 0.00 -0.40 0.00 0.00 41.96 40.55 3gqj s TYR 197 CO 0.20 -0.11 0.13 0.42 -1.57 0.00 0.00 175.55 174.62 3gqj s ILE 198 N 0.05 5.42 -0.15 2.71 1.01 -1.26 0.00 121.20 128.97 3gqj s ILE 198 Ca -0.02 0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.82 3gqj s ILE 198 Cb -0.09 -3.47 -0.00 0.00 0.01 0.00 0.00 42.46 38.91 3gqj s ILE 198 CO 0.01 0.45 -0.15 -0.31 0.00 0.00 0.00 174.94 174.95 3gqj s TYR 199 N 0.25 2.79 0.14 3.97 2.02 -0.75 -4.27 117.35 121.49 3gqj s TYR 199 Ca 0.09 -0.99 -0.24 0.00 -0.37 0.00 0.00 57.07 55.55 3gqj s TYR 199 Cb -0.11 -1.89 0.07 0.00 -0.40 0.00 0.00 41.96 39.63 3gqj s TYR 199 CO -0.01 -0.45 0.68 1.14 -1.57 0.00 0.00 175.55 175.34 3gqj s GLN 200 N 0.79 1.23 0.26 -0.62 -2.07 -1.26 -1.29 119.66 116.70 3gqj s GLN 200 Ca -0.05 -0.49 0.02 0.00 -1.82 0.00 0.00 55.36 53.02 3gqj s GLN 200 Cb -0.15 0.54 -0.04 0.00 -1.09 0.00 0.00 33.01 32.27 3gqj s GLN 200 CO 0.00 -0.54 0.16 -1.54 -1.32 0.00 0.00 175.29 172.05 3gqj s SER 201 N -2.72 0.97 -0.26 12.60 1.04 -1.26 -4.53 113.70 119.54 3gqj s SER 201 Ca 0.03 -1.50 -0.12 0.00 0.48 0.00 0.00 55.95 54.84 3gqj s SER 201 Cb -0.01 0.38 0.10 0.00 0.10 0.00 0.00 66.02 66.58 3gqj s SER 201 CO -0.10 -0.88 0.61 -0.62 0.98 0.00 0.00 173.24 173.23 3gqj s ASP 202 N -3.28 -0.88 0.53 7.02 -1.08 -0.44 -3.87 116.67 114.67 3gqj s ASP 202 Ca 0.38 1.39 0.29 0.00 -0.52 0.00 0.00 52.55 54.09 3gqj s ASP 202 Cb 0.06 1.63 1.45 0.00 -1.46 0.00 0.00 42.92 44.60 3gqj s ASP 202 CO 0.16 -0.23 2.06 0.25 0.52 0.00 0.00 175.17 177.93 3gqj h LEU 203 N 7.52 0.00 0.00 -1.34 5.85 -1.87 0.17 115.31 125.64 3gqj h LEU 203 Ca -0.25 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.47 3gqj h LEU 203 Cb 1.16 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.19 3gqj h LEU 203 CO 0.15 0.11 0.00 0.61 -0.34 0.00 0.00 178.44 178.97 3gqj n GLY 204 N -0.53 0.73 0.96 3.75 0.00 -1.26 -4.45 105.19 104.38 3gqj n GLY 204 Ca -0.01 -0.48 0.12 0.00 0.00 0.00 0.00 46.02 45.65 3gqj n GLY 204 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3gqj n GLN 205 N -2.44 2.31 0.00 1.61 6.02 -1.26 -4.59 117.38 119.03 3gqj n GLN 205 Ca 0.00 -1.92 0.00 0.00 -0.01 0.00 0.00 57.00 55.07 3gqj n GLN 205 Cb 0.00 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 29.79 3gqj n GLN 205 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3gqj n GLY 206 N 1.36 1.58 0.01 1.08 0.00 -1.26 -4.98 105.19 102.98 3gqj n GLY 206 Ca 0.15 -0.71 0.13 0.00 0.00 0.00 0.00 46.02 45.60 3gqj n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gqj n ALA 207 N -3.00 2.61 -2.54 4.61 0.00 -1.26 -4.88 120.51 116.05 3gqj n ALA 207 Ca 0.00 -0.15 -0.25 0.00 0.00 0.00 0.00 53.44 53.04 3gqj n ALA 207 Cb 0.00 -1.39 -0.09 0.00 0.00 0.00 0.00 19.45 17.97 3gqj n ALA 207 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3gqj s LEU 208 N -3.12 2.88 0.81 0.00 1.43 -1.26 -0.94 118.68 118.47 3gqj s LEU 208 Ca 0.13 -1.01 -0.12 0.00 -1.03 0.00 0.00 54.13 52.11 3gqj s LEU 208 Cb 0.18 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 45.21 3gqj s LEU 208 CO 0.58 -0.16 1.10 -2.84 0.23 0.00 0.00 176.35 175.26 3gqj s PRO 209 N -3.65 1.99 0.42 1.29 0.02 -1.26 -4.39 135.00 129.43 3gqj s PRO 209 Ca 0.33 0.60 -0.26 0.00 0.02 0.00 0.00 61.00 61.69 3gqj s PRO 209 Cb -0.01 -1.91 -0.10 0.00 0.02 0.00 0.00 34.50 32.50 3gqj s PRO 209 CO 0.18 -1.68 1.35 -2.30 -0.33 0.00 0.00 177.00 174.23 3gqj n PRO 210 N -3.46 2.14 -3.66 5.54 -0.02 -1.26 -4.26 135.00 130.02 3gqj n PRO 210 Ca 0.07 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.16 3gqj n PRO 210 Cb 0.57 -2.50 -0.14 0.00 -0.02 0.00 0.00 33.50 31.40 3gqj n PRO 210 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3gqj s LEU 211 N -2.05 -0.19 0.15 2.45 2.96 0.60 -4.92 118.68 117.68 3gqj s LEU 211 Ca 0.60 0.44 -0.24 0.00 -0.22 0.00 0.00 54.13 54.71 3gqj s LEU 211 Cb -0.49 0.50 -0.08 0.00 0.50 0.00 0.00 46.19 46.62 3gqj s LEU 211 CO 0.59 -0.25 0.73 -0.54 -1.32 0.00 0.00 176.35 175.56 3gqj s LYS 212 N 2.36 4.49 0.21 1.98 1.02 -1.26 -1.32 119.74 127.22 3gqj s LYS 212 Ca 0.02 1.07 -0.10 0.00 0.02 0.00 0.00 55.97 56.98 3gqj s LYS 212 Cb -0.12 -3.26 0.30 0.00 -0.52 0.00 0.00 37.83 34.23 3gqj s LYS 212 CO -0.07 0.59 1.70 0.97 -0.92 0.00 0.00 175.35 177.61 3gqj h ILE 213 N 3.36 0.62 -0.27 2.17 6.09 -1.85 -2.07 117.51 125.57 3gqj h ILE 213 Ca -0.48 -0.08 -0.11 0.00 -1.37 0.00 0.00 64.86 62.82 3gqj h ILE 213 Cb 1.21 0.36 -0.01 0.00 0.47 0.00 0.00 36.82 38.84 3gqj h ILE 213 CO 0.65 0.04 -0.31 0.00 -3.07 0.00 0.00 178.15 175.47 3gqj h ALA 214 N 1.49 0.96 -0.45 0.18 0.00 -1.93 -0.32 119.26 119.19 3gqj h ALA 214 Ca 0.32 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3gqj h ALA 214 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 3gqj h ALA 214 CO -0.42 0.61 0.14 -0.44 0.00 0.00 0.00 179.25 179.14 3gqj h ASP 215 N 0.48 0.65 0.45 0.00 3.32 -1.81 0.07 116.42 119.58 3gqj h ASP 215 Ca 0.06 -0.21 -0.02 0.00 0.02 0.00 0.00 57.03 56.88 3gqj h ASP 215 Cb 0.78 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3gqj h ASP 215 CO 0.06 0.68 -0.22 -0.25 -1.72 0.00 0.00 179.24 177.80 3gqj h TRP 216 N 0.58 -0.56 -0.40 4.55 2.91 -1.24 -3.23 115.95 118.57 3gqj h TRP 216 Ca 0.14 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.17 3gqj h TRP 216 Cb 0.27 0.18 -0.02 0.00 -0.51 0.00 0.00 29.16 29.08 3gqj h TRP 216 CO 0.01 -0.25 0.27 -0.07 -1.03 0.00 0.00 178.44 177.37 3gqj h LEU 217 N -0.83 0.41 -1.35 0.65 3.38 -1.05 -0.57 115.31 115.95 3gqj h LEU 217 Ca -0.06 -0.01 0.10 0.00 0.09 0.00 0.00 57.88 58.00 3gqj h LEU 217 Cb 0.56 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 41.15 3gqj h LEU 217 CO 0.10 0.29 0.52 -1.13 0.09 0.00 0.00 178.44 178.32 3gqj h ASN 218 N 0.49 0.64 0.00 -0.43 -1.24 -0.99 -3.36 115.58 110.69 3gqj h ASN 218 Ca 0.15 0.02 0.00 0.00 0.71 0.00 0.00 56.30 57.18 3gqj h ASN 218 Cb 0.03 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3gqj h ASN 218 CO -0.04 0.37 -0.08 -0.24 -1.29 0.00 0.00 177.43 176.16 3gqj n SER 219 N -4.51 0.05 0.14 1.15 2.88 -1.10 -4.88 113.62 107.34 3gqj n SER 219 Ca 0.14 0.27 0.07 0.00 -1.33 0.00 0.00 58.87 58.02 3gqj n SER 219 Cb 0.35 0.17 0.56 0.00 -0.75 0.00 0.00 64.21 64.54 3gqj n SER 219 CO 0.00 0.00 0.00 0.03 -1.23 0.00 0.00 175.04 173.84 3gqj h ARG 220 N 0.00 0.20 0.00 -1.46 2.47 -1.59 0.20 114.38 114.20 3gqj h ARG 220 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 3gqj h ARG 220 Cb 0.08 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 3gqj h ARG 220 CO 0.00 0.13 0.00 0.41 0.56 0.00 0.00 179.97 181.07 3gqj n GLY 221 N -1.52 -0.91 0.82 0.04 0.00 -0.29 -1.07 105.19 102.25 3gqj n GLY 221 Ca 0.00 0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.21 3gqj n GLY 221 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3gqj n LYS 222 N -1.94 1.97 -2.82 1.61 5.02 0.68 -4.44 118.16 118.24 3gqj n LYS 222 Ca 0.01 -1.69 -0.42 0.00 -2.02 0.00 0.00 58.31 54.19 3gqj n LYS 222 Cb 0.10 -1.43 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 3gqj n LYS 222 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3gqj s ASP 223 N -1.95 6.92 0.36 4.39 1.01 -0.24 -5.04 116.67 122.13 3gqj s ASP 223 Ca 0.25 1.15 -0.28 0.00 0.71 0.00 0.00 52.55 54.37 3gqj s ASP 223 Cb 0.18 -2.47 -0.11 0.00 1.01 0.00 0.00 42.92 41.54 3gqj s ASP 223 CO 0.32 -0.55 1.41 0.00 0.21 0.00 0.00 175.17 176.56 3gqj s ALA 224 N 2.89 3.54 -0.08 5.23 0.00 -1.26 -4.50 121.76 127.57 3gqj s ALA 224 Ca 0.38 1.43 0.05 0.00 0.00 0.00 0.00 51.96 53.82 3gqj s ALA 224 Cb -0.15 -3.55 -0.00 0.00 0.00 0.00 0.00 23.12 19.41 3gqj s ALA 224 CO 0.07 -0.87 -0.23 0.08 0.00 0.00 0.00 175.76 174.81 3gqj s VAL 225 N -1.12 1.97 0.54 0.00 1.01 0.74 -4.94 120.40 118.61 3gqj s VAL 225 Ca 0.51 -0.99 -0.21 0.00 0.00 0.00 0.00 61.98 61.29 3gqj s VAL 225 Cb -0.43 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 3gqj s VAL 225 CO 0.58 0.54 1.24 -0.94 0.00 0.00 0.00 175.10 176.53 3gqj s SER 226 N 0.15 5.47 0.42 3.32 1.04 -1.26 -1.20 113.70 121.65 3gqj s SER 226 Ca -0.12 2.49 0.12 0.00 0.48 0.00 0.00 55.95 58.92 3gqj s SER 226 Cb -0.16 -2.61 0.96 0.00 0.10 0.00 0.00 66.02 64.31 3gqj s SER 226 CO 0.06 -1.41 1.98 -0.07 0.98 0.00 0.00 173.24 174.78 3gqj h LEU 227 N 1.38 0.43 -0.78 2.42 3.38 -1.94 -2.37 115.31 117.82 3gqj h LEU 227 Ca -0.50 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.39 3gqj h LEU 227 Cb 1.29 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.93 3gqj h LEU 227 CO 0.57 0.27 -0.01 0.78 0.09 0.00 0.00 178.44 180.14 3gqj h ASN 228 N 0.48 0.88 -0.58 -0.43 2.35 -1.95 -0.93 115.58 115.42 3gqj h ASN 228 Ca 0.28 -0.23 -0.07 0.00 -0.55 0.00 0.00 56.30 55.72 3gqj h ASN 228 Cb 0.47 -0.24 -0.02 0.00 0.05 0.00 0.00 38.32 38.58 3gqj h ASN 228 CO -0.08 0.95 0.08 0.50 -1.65 0.00 0.00 177.43 177.23 3gqj h LYS 229 N 0.84 0.97 -0.46 0.81 3.64 -1.80 -1.46 116.57 119.11 3gqj h LYS 229 Ca 0.16 -0.27 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3gqj h LYS 229 Cb 0.51 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3gqj h LYS 229 CO 0.03 0.93 -0.07 -0.07 -2.27 0.00 0.00 179.45 177.99 3gqj h LEU 230 N 0.86 0.85 -0.59 5.20 3.38 -1.29 0.03 115.31 123.76 3gqj h LEU 230 Ca 0.17 -0.34 0.01 0.00 0.09 0.00 0.00 57.88 57.81 3gqj h LEU 230 Cb 0.44 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3gqj h LEU 230 CO 0.01 1.00 0.39 0.11 0.09 0.00 0.00 178.44 180.04 3gqj h LYS 231 N 0.70 0.77 -0.66 1.13 1.57 -1.09 -1.14 116.57 117.86 3gqj h LYS 231 Ca 0.12 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.81 3gqj h LYS 231 Cb 0.60 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.71 3gqj h LYS 231 CO 0.04 0.51 0.23 -0.22 -0.57 0.00 0.00 179.45 179.43 3gqj h LYS 232 N 0.79 1.01 -0.50 3.15 3.64 -0.99 -0.92 116.57 122.74 3gqj h LYS 232 Ca 0.22 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3gqj h LYS 232 Cb -0.09 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3gqj h LYS 232 CO -0.05 0.87 0.28 1.25 -2.27 0.00 0.00 179.45 179.53 3gqj h LEU 233 N 0.94 0.62 -0.36 5.20 5.85 -0.57 -3.26 115.31 123.74 3gqj h LEU 233 Ca 0.21 -0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3gqj h LEU 233 Cb 0.26 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.14 3gqj h LEU 233 CO -0.01 0.52 -0.53 0.18 -0.34 0.00 0.00 178.44 178.27 3gqj n LEU 234 N -4.66 1.09 -4.86 2.25 4.77 -0.47 -4.80 117.00 110.32 3gqj n LEU 234 Ca 0.02 -0.35 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 3gqj n LEU 234 Cb 0.07 -0.11 0.02 0.00 -2.33 0.00 0.00 43.42 41.08 3gqj n LEU 234 CO 0.36 0.23 0.72 -0.44 -1.33 0.00 0.00 177.39 176.93 3gqj s SER 235 N -2.74 5.92 0.49 -1.43 0.01 -0.37 -4.23 113.70 111.35 3gqj s SER 235 Ca 0.16 1.42 0.21 0.00 1.31 0.00 0.00 55.95 59.05 3gqj s SER 235 Cb 0.18 -2.39 1.24 0.00 0.21 0.00 0.00 66.02 65.25 3gqj s SER 235 CO 0.65 -1.07 2.04 0.03 0.41 0.00 0.00 173.24 175.30 3gqj h ARG 236 N -0.46 0.00 0.00 12.44 3.08 -1.90 -2.23 114.38 125.32 3gqj h ARG 236 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 3gqj h ARG 236 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3gqj h ARG 236 CO 0.61 0.15 0.00 0.93 -1.07 0.00 0.00 179.97 180.59 3gqj h GLU 237 N 0.00 0.00 -1.05 0.04 3.07 -1.92 -2.41 114.58 112.31 3gqj h GLU 237 Ca -0.00 0.00 0.27 0.00 -0.50 0.00 0.00 59.36 59.13 3gqj h GLU 237 Cb 0.31 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.13 3gqj h GLU 237 CO 0.02 0.00 0.67 0.35 -1.40 0.00 0.00 179.01 178.65 3gqj h PHE 238 N 0.00 0.67 0.00 4.33 3.57 -1.55 -0.79 116.94 123.17 3gqj h PHE 238 Ca 0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3gqj h PHE 238 Cb 0.26 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 38.80 3gqj h PHE 238 CO 0.00 0.05 0.00 0.09 -2.23 0.00 0.00 178.31 176.22 3gqj n ASN 239 N -4.65 0.00 -0.38 0.41 5.03 -0.91 -2.16 115.26 112.61 3gqj n ASN 239 Ca 0.26 0.46 0.13 0.00 0.87 0.00 0.00 54.58 56.30 3gqj n ASN 239 Cb 0.89 -0.48 0.40 0.00 -1.02 0.00 0.00 39.78 39.57 3gqj n ASN 239 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3gqj n LEU 240 N -1.48 1.34 -4.82 3.41 4.77 -0.30 -4.94 117.00 114.97 3gqj n LEU 240 Ca 0.05 -0.41 -0.32 0.00 -0.03 0.00 0.00 56.01 55.30 3gqj n LEU 240 Cb 0.23 -0.07 -0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3gqj n LEU 240 CO 0.19 0.24 0.70 -0.76 -1.33 0.00 0.00 177.39 176.43 3gqj s LEU 241 N -2.29 3.49 0.75 2.23 1.43 -0.92 -5.04 118.68 118.33 3gqj s LEU 241 Ca 0.29 1.68 -0.13 0.00 -1.03 0.00 0.00 54.13 54.95 3gqj s LEU 241 Cb 0.20 -4.52 0.05 0.00 0.03 0.00 0.00 46.19 41.95 3gqj s LEU 241 CO 0.45 -0.97 1.14 -0.94 0.23 0.00 0.00 176.35 176.25 3gqj s SER 242 N -3.08 4.32 0.21 2.29 1.04 -1.26 -4.78 113.70 112.43 3gqj s SER 242 Ca 0.61 2.08 -0.10 0.00 0.48 0.00 0.00 55.95 59.02 3gqj s SER 242 Cb -0.13 -2.56 0.28 0.00 0.10 0.00 0.00 66.02 63.71 3gqj s SER 242 CO 0.38 -2.17 1.73 0.44 0.98 0.00 0.00 173.24 174.60 3gqj h ASP 243 N -0.70 0.14 -0.43 7.02 5.19 -1.99 -0.01 116.42 125.64 3gqj h ASP 243 Ca -0.45 0.09 0.05 0.00 -0.62 0.00 0.00 57.03 56.09 3gqj h ASP 243 Cb 1.26 0.09 -0.04 0.00 0.18 0.00 0.00 39.33 40.81 3gqj h ASP 243 CO 0.50 0.09 0.17 0.44 -3.12 0.00 0.00 179.24 177.32 3gqj h ASP 244 N 0.35 0.21 -0.27 6.45 3.32 -1.99 -1.01 116.42 123.47 3gqj h ASP 244 Ca 0.30 0.04 -0.10 0.00 0.02 0.00 0.00 57.03 57.29 3gqj h ASP 244 Cb 0.40 0.01 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 3gqj h ASP 244 CO -0.33 0.16 -0.19 -0.33 -1.72 0.00 0.00 179.24 176.82 3gqj h GLU 245 N 0.36 0.72 -0.18 3.56 5.08 -1.72 -1.09 114.58 121.31 3gqj h GLU 245 Ca 0.20 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3gqj h GLU 245 Cb 0.16 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 3gqj h GLU 245 CO -0.18 0.87 0.12 0.87 -1.00 0.00 0.00 179.01 179.68 3gqj h LYS 246 N 0.64 0.24 -0.66 2.33 1.57 -0.58 -0.53 116.57 119.58 3gqj h LYS 246 Ca 0.10 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.82 3gqj h LYS 246 Cb 0.68 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.90 3gqj h LYS 246 CO 0.05 0.17 0.26 0.00 -0.57 0.00 0.00 179.45 179.36 3gqj h ARG 247 N 0.23 0.96 -0.21 3.15 3.08 -1.01 -1.35 114.38 119.24 3gqj h ARG 247 Ca 0.07 -0.16 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 3gqj h ARG 247 Cb -0.01 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.86 3gqj h ARG 247 CO -0.01 0.79 0.03 0.00 -1.07 0.00 0.00 179.97 179.70 3gqj h ALA 248 N 1.34 0.28 -0.35 0.04 0.00 -0.90 -0.56 119.26 119.11 3gqj h ALA 248 Ca 0.22 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3gqj h ALA 248 Cb 0.18 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gqj h ALA 248 CO -0.02 -0.03 0.01 1.25 0.00 0.00 0.00 179.25 180.45 3gqj h LEU 249 N 0.15 0.61 -0.19 0.00 5.85 -0.97 -0.35 115.31 120.41 3gqj h LEU 249 Ca 0.06 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.44 3gqj h LEU 249 Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3gqj h LEU 249 CO 0.01 0.76 -0.04 0.40 -0.34 0.00 0.00 178.44 179.22 3gqj h ILE 250 N 0.43 1.28 -0.60 4.05 2.04 -1.26 -2.61 117.51 120.85 3gqj h ILE 250 Ca 0.10 -1.01 -0.05 0.00 1.00 0.00 0.00 64.86 64.90 3gqj h ILE 250 Cb 0.45 1.56 -0.03 0.00 -0.74 0.00 0.00 36.82 38.07 3gqj h ILE 250 CO 0.02 0.31 0.18 0.77 0.00 0.00 0.00 178.15 179.42 3gqj h SER 251 N 0.08 0.88 -0.64 1.72 4.64 -1.07 0.74 113.55 119.91 3gqj h SER 251 Ca 0.05 -0.21 -0.03 0.00 -0.47 0.00 0.00 61.79 61.13 3gqj h SER 251 Cb 0.48 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.31 3gqj h SER 251 CO 0.02 0.86 0.31 -0.08 -0.87 0.00 0.00 176.83 177.07 3gqj h GLU 252 N 0.86 0.94 0.07 4.77 4.57 -1.01 -1.51 114.58 123.27 3gqj h GLU 252 Ca 0.19 -0.13 -0.33 0.00 -1.18 0.00 0.00 59.36 57.92 3gqj h GLU 252 Cb 0.30 -0.17 -0.03 0.00 -0.16 0.00 0.00 28.75 28.68 3gqj h GLU 252 CO -0.00 0.74 -1.81 1.79 -1.18 0.00 0.00 179.01 178.55 3gqj h THR 253 N 0.94 0.80 0.00 0.32 1.35 -1.21 -3.43 112.91 111.67 3gqj h THR 253 Ca 0.23 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.53 3gqj h THR 253 Cb 0.11 2.51 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 3gqj h THR 253 CO -0.03 0.71 -0.18 0.18 -0.25 0.00 0.00 175.52 175.95 3gqj n LEU 254 N -3.29 0.02 -4.81 3.87 4.77 0.23 -4.93 117.00 112.85 3gqj n LEU 254 Ca -0.23 -0.42 -0.37 0.00 -0.03 0.00 0.00 56.01 54.96 3gqj n LEU 254 Cb 1.05 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 42.08 3gqj n LEU 254 CO 0.45 0.00 0.01 -0.62 -1.33 0.00 0.00 177.39 175.91 3gqj s ASP 255 N -1.21 6.61 0.26 -1.43 2.15 -0.57 -4.98 116.67 117.50 3gqj s ASP 255 Ca 0.00 0.73 -0.01 0.00 0.43 0.00 0.00 52.55 53.69 3gqj s ASP 255 Cb 0.00 -2.19 0.55 0.00 -0.30 0.00 0.00 42.92 40.98 3gqj s ASP 255 CO 0.02 0.27 1.71 -0.29 -0.17 0.00 0.00 175.17 176.71 3gqj h ILE 256 N 4.07 0.57 -0.45 4.11 6.09 -1.96 -2.01 117.51 127.93 3gqj h ILE 256 Ca -0.49 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 62.86 3gqj h ILE 256 Cb 1.21 0.13 0.00 0.00 0.47 0.00 0.00 36.82 38.62 3gqj h ILE 256 CO 0.65 0.07 0.00 1.41 -3.07 0.00 0.00 178.15 177.21 3gqj n HIS 257 N -5.04 0.93 -4.04 2.19 8.25 -1.26 -4.93 115.22 111.31 3gqj n HIS 257 Ca 0.17 -0.62 -0.30 0.00 -0.26 0.00 0.00 57.72 56.71 3gqj n HIS 257 Cb 0.51 -0.16 -0.02 0.00 1.12 0.00 0.00 29.99 31.44 3gqj n HIS 257 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3gqj n LYS 258 N 0.55 -3.52 -3.68 -0.41 5.02 -0.76 -4.92 118.16 110.44 3gqj n LYS 258 Ca 0.19 0.42 -0.39 0.00 -2.02 0.00 0.00 58.31 56.51 3gqj n LYS 258 Cb 0.69 -4.85 -0.12 0.00 -0.02 0.00 0.00 35.03 30.74 3gqj n LYS 258 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 3gqj s ASP 259 N -3.87 5.45 0.53 4.39 -1.08 -1.26 -4.74 116.67 116.09 3gqj s ASP 259 Ca 0.34 -0.80 0.19 0.00 -0.52 0.00 0.00 52.55 51.77 3gqj s ASP 259 Cb -0.18 -1.96 1.34 0.00 -1.46 0.00 0.00 42.92 40.66 3gqj s ASP 259 CO 0.90 -0.27 2.12 -0.37 0.52 0.00 0.00 175.17 178.07 3gqj h VAL 260 N 5.85 0.90 0.00 1.11 -1.51 -1.91 -0.73 116.25 119.96 3gqj h VAL 260 Ca -0.29 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.18 3gqj h VAL 260 Cb 1.12 0.94 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 3gqj h VAL 260 CO 0.63 0.00 0.00 -1.54 -1.23 0.00 0.00 177.57 175.43 3gqj n SER 261 N -4.45 0.00 -0.19 4.19 3.41 -1.26 -2.02 113.62 113.30 3gqj n SER 261 Ca -0.00 0.18 0.14 0.00 -0.26 0.00 0.00 58.87 58.93 3gqj n SER 261 Cb 0.21 -0.37 0.57 0.00 -0.26 0.00 0.00 64.21 64.36 3gqj n SER 261 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gqj n ASN 262 N -1.37 0.71 -4.50 4.04 3.02 -0.28 -4.82 115.26 112.06 3gqj n ASN 262 Ca 0.08 -0.81 -0.39 0.00 -0.03 0.00 0.00 54.58 53.44 3gqj n ASN 262 Cb 0.20 -0.01 -0.11 0.00 -0.61 0.00 0.00 39.78 39.25 3gqj n ASN 262 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gqj s VAL 263 N -2.38 4.97 -0.55 2.41 1.01 -0.86 -4.18 120.40 120.82 3gqj s VAL 263 Ca 0.30 -0.22 -0.15 0.00 0.00 0.00 0.00 61.98 61.92 3gqj s VAL 263 Cb 0.20 -3.50 0.13 0.00 0.00 0.00 0.00 36.38 33.22 3gqj s VAL 263 CO 0.46 0.09 0.50 -1.61 0.00 0.00 0.00 175.10 174.54 3gqj s GLU 264 N 1.68 2.96 0.50 2.72 2.02 -0.12 -4.93 118.70 123.54 3gqj s GLU 264 Ca 0.06 -1.77 0.22 0.00 0.02 0.00 0.00 54.97 53.49 3gqj s GLU 264 Cb -0.17 -4.26 1.28 0.00 0.10 0.00 0.00 34.13 31.09 3gqj s GLU 264 CO 0.09 -1.31 2.06 -0.07 0.02 0.00 0.00 175.26 176.04 3gqj h LEU 265 N 8.75 0.00 0.00 1.80 3.38 -1.96 -1.67 115.31 125.61 3gqj h LEU 265 Ca -0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3gqj h LEU 265 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3gqj h LEU 265 CO 1.00 0.13 0.00 -0.90 0.09 0.00 0.00 178.44 178.76 3gqj n ASP 266 N -3.99 0.00 -0.22 -0.43 5.68 -1.26 -1.15 116.55 115.18 3gqj n ASP 266 Ca -0.02 -0.03 0.12 0.00 -0.50 0.00 0.00 54.79 54.36 3gqj n ASP 266 Cb 0.22 -0.26 0.25 0.00 -1.14 0.00 0.00 41.12 40.19 3gqj n ASP 266 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3gqj n ARG 267 N -1.26 0.68 -3.23 0.11 5.12 -0.63 -4.92 116.66 112.53 3gqj n ARG 267 Ca 0.09 -0.45 -0.39 0.00 -1.93 0.00 0.00 57.85 55.18 3gqj n ARG 267 Cb 0.14 -1.49 -0.06 0.00 -1.16 0.00 0.00 32.46 29.89 3gqj n ARG 267 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 3gqj s ILE 268 N -2.63 4.77 -0.74 0.55 1.01 -0.30 -4.59 121.20 119.27 3gqj s ILE 268 Ca 0.19 1.26 -0.20 0.00 0.00 0.00 0.00 60.65 61.90 3gqj s ILE 268 Cb 0.18 -3.92 0.10 0.00 0.01 0.00 0.00 42.46 38.83 3gqj s ILE 268 CO 0.59 0.51 0.96 -0.54 0.00 0.00 0.00 174.94 176.46 3gqj s LYS 269 N -0.81 3.28 0.30 2.79 3.01 0.26 -4.93 119.74 123.63 3gqj s LYS 269 Ca 0.30 -1.31 0.07 0.00 -1.01 0.00 0.00 55.97 54.01 3gqj s LYS 269 Cb -0.19 -4.48 0.80 0.00 -1.01 0.00 0.00 37.83 32.95 3gqj s LYS 269 CO 0.19 -1.72 1.71 0.00 0.51 0.00 0.00 175.35 176.04 3gqj h ARG 270 N 9.17 0.48 0.00 1.68 3.08 -1.94 -2.54 114.38 124.32 3gqj h ARG 270 Ca -0.12 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.84 3gqj h ARG 270 Cb 1.06 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3gqj h ARG 270 CO 1.12 0.32 -0.28 0.38 -1.07 0.00 0.00 179.97 180.45 3gqj h ASP 271 N 0.50 0.00 -4.29 7.04 2.03 -1.97 -3.47 116.42 116.25 3gqj h ASP 271 Ca 0.60 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 56.42 3gqj h ASP 271 Cb 1.13 0.00 0.11 0.00 -0.83 0.00 0.00 39.33 39.75 3gqj h ASP 271 CO -0.50 0.28 0.33 -0.13 -1.03 0.00 0.00 179.24 178.19 3gqj s ARG 272 N -3.42 1.96 0.00 4.15 1.81 -0.96 -5.09 118.95 117.40 3gqj s ARG 272 Ca 0.02 0.57 0.00 0.00 -1.72 0.00 0.00 55.73 54.60 3gqj s ARG 272 Cb 0.09 -1.91 0.00 0.00 -0.45 0.00 0.00 34.95 32.68 3gqj s ARG 272 CO 0.67 -1.69 0.00 0.41 -0.68 0.00 0.00 175.30 174.01 3gqj n GLY 273 N -2.17 5.52 3.10 -3.53 0.00 -1.26 -4.65 105.19 102.21 3gqj n GLY 273 Ca 0.07 -2.06 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 3gqj n GLY 273 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gqj s VAL 274 N 0.95 1.07 -0.19 1.61 -7.23 -1.26 -2.30 120.40 113.04 3gqj s VAL 274 Ca 0.00 -0.63 -0.06 0.00 -1.81 0.00 0.00 61.98 59.48 3gqj s VAL 274 Cb 0.00 -0.90 -0.03 0.00 0.56 0.00 0.00 36.38 36.01 3gqj s VAL 274 CO 0.00 0.26 0.01 -1.81 -0.31 0.00 0.00 175.10 173.25 3gqj s ASP 275 N -0.44 5.03 -0.03 4.85 1.01 -0.55 -3.14 116.67 123.40 3gqj s ASP 275 Ca 0.05 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.22 3gqj s ASP 275 Cb -0.06 -1.86 -0.01 0.00 1.01 0.00 0.00 42.92 42.01 3gqj s ASP 275 CO -0.00 0.10 -0.17 -0.63 0.21 0.00 0.00 175.17 174.68 3gqj s ILE 276 N 0.80 1.36 -0.30 0.77 1.01 0.76 -0.80 121.20 124.80 3gqj s ILE 276 Ca 0.01 -0.70 -0.03 0.00 0.00 0.00 0.00 60.65 59.94 3gqj s ILE 276 Cb -0.14 -1.16 0.04 0.00 0.01 0.00 0.00 42.46 41.21 3gqj s ILE 276 CO 0.02 0.39 0.02 -0.47 0.00 0.00 0.00 174.94 174.90 3gqj s TYR 277 N -0.08 3.23 -0.18 3.97 5.04 -0.50 0.14 117.35 128.96 3gqj s TYR 277 Ca -0.01 -1.69 -0.04 0.00 -2.44 0.00 0.00 57.07 52.90 3gqj s TYR 277 Cb -0.10 -2.14 -0.02 0.00 0.35 0.00 0.00 41.96 40.05 3gqj s TYR 277 CO 0.01 -0.77 -0.03 -1.17 -1.34 0.00 0.00 175.55 172.26 3gqj s LEU 278 N 1.31 3.18 0.03 6.97 2.96 -1.26 -0.73 118.68 131.14 3gqj s LEU 278 Ca -0.03 -0.20 -0.07 0.00 -0.22 0.00 0.00 54.13 53.61 3gqj s LEU 278 Cb -0.19 -1.79 -0.00 0.00 0.50 0.00 0.00 46.19 44.71 3gqj s LEU 278 CO -0.00 0.10 0.13 0.28 -1.32 0.00 0.00 176.35 175.54 3gqj s THR 279 N 0.75 0.11 0.49 3.68 -1.32 -0.59 -4.99 115.64 113.77 3gqj s THR 279 Ca -0.01 -0.94 -0.20 0.00 -1.21 0.00 0.00 61.69 59.33 3gqj s THR 279 Cb -0.14 -0.78 -0.08 0.00 -1.51 0.00 0.00 72.50 69.98 3gqj s THR 279 CO 0.02 -0.52 1.06 -0.70 -2.21 0.00 0.00 174.62 172.27 3gqj s GLU 280 N -2.29 3.74 0.06 7.08 2.12 -1.26 -0.98 118.70 127.17 3gqj s GLU 280 Ca -0.07 1.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.66 3gqj s GLU 280 Cb -0.03 -2.10 -0.04 0.00 0.26 0.00 0.00 34.13 32.23 3gqj s GLU 280 CO -0.03 -0.49 -0.01 1.52 -0.54 0.00 0.00 175.26 175.71 3gqj s TYR 281 N -1.93 0.56 -0.27 5.30 -0.85 0.08 -4.86 117.35 115.39 3gqj s TYR 281 Ca 0.68 -1.08 -0.08 0.00 -0.52 0.00 0.00 57.07 56.07 3gqj s TYR 281 Cb -0.18 -0.39 -0.02 0.00 0.38 0.00 0.00 41.96 41.75 3gqj s TYR 281 CO 0.21 -0.41 0.10 0.34 -1.52 0.00 0.00 175.55 174.27 3gqj s ASP 282 N -2.94 5.27 0.55 -0.18 -1.08 -1.26 -4.03 116.67 113.00 3gqj s ASP 282 Ca 0.10 -0.35 0.26 0.00 -0.52 0.00 0.00 52.55 52.03 3gqj s ASP 282 Cb 0.08 -1.95 1.58 0.00 -1.46 0.00 0.00 42.92 41.18 3gqj s ASP 282 CO -0.08 -0.10 2.17 1.62 0.52 0.00 0.00 175.17 179.30 3gqj h VAL 283 N 5.61 0.65 -0.55 1.11 3.04 -1.95 0.30 116.25 124.47 3gqj h VAL 283 Ca -0.36 -0.21 -0.00 0.00 -1.01 0.00 0.00 66.70 65.12 3gqj h VAL 283 Cb 1.16 1.13 -0.03 0.00 -2.01 0.00 0.00 31.29 31.54 3gqj h VAL 283 CO 0.59 0.05 0.32 0.78 -1.01 0.00 0.00 177.57 178.30 3gqj h ASN 284 N 0.00 0.65 -0.39 3.17 2.35 -1.96 0.20 115.58 119.60 3gqj h ASN 284 Ca -0.00 -0.03 -0.13 0.00 -0.55 0.00 0.00 56.30 55.59 3gqj h ASN 284 Cb 0.12 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.32 3gqj h ASN 284 CO 0.01 0.51 -0.26 0.78 -1.65 0.00 0.00 177.43 176.81 3gqj h ASN 285 N 0.75 0.90 -0.13 5.81 2.35 -1.26 -1.23 115.58 122.77 3gqj h ASN 285 Ca 0.20 -0.43 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 3gqj h ASN 285 Cb -0.02 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.10 3gqj h ASN 285 CO -0.04 1.14 0.08 0.15 -1.65 0.00 0.00 177.43 177.11 3gqj h PHE 286 N 0.67 0.17 0.45 1.19 3.57 -1.18 0.15 116.94 121.96 3gqj h PHE 286 Ca 0.08 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3gqj h PHE 286 Cb 0.83 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.52 3gqj h PHE 286 CO 0.06 0.13 -0.22 -0.92 -2.23 0.00 0.00 178.31 175.13 3gqj h TYR 287 N 0.15 -0.57 -0.10 0.41 3.20 -1.00 -2.58 116.97 116.49 3gqj h TYR 287 Ca 0.05 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.84 3gqj h TYR 287 Cb 0.01 0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 3gqj h TYR 287 CO -0.06 -0.36 -0.22 0.93 -1.64 0.00 0.00 178.16 176.82 3gqj h GLU 288 N -0.62 0.16 -0.52 1.82 4.39 -1.11 -1.37 114.58 117.34 3gqj h GLU 288 Ca -0.06 -0.05 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 3gqj h GLU 288 Cb 0.47 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.09 3gqj h GLU 288 CO 0.10 0.38 -0.10 -0.91 -1.16 0.00 0.00 179.01 177.33 3gqj h ASN 289 N 0.15 0.96 0.05 1.42 2.35 -0.65 0.16 115.58 120.04 3gqj h ASN 289 Ca 0.03 -0.31 -0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3gqj h ASN 289 Cb 0.48 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.58 3gqj h ASN 289 CO 0.03 1.07 -0.03 0.40 -1.65 0.00 0.00 177.43 177.26 3gqj h ILE 290 N 0.87 1.08 -0.85 2.81 2.04 -1.07 -2.43 117.51 119.96 3gqj h ILE 290 Ca 0.14 -0.43 0.18 0.00 1.00 0.00 0.00 64.86 65.74 3gqj h ILE 290 Cb 0.64 1.37 -0.11 0.00 -0.74 0.00 0.00 36.82 37.98 3gqj h ILE 290 CO 0.04 0.11 0.38 -0.33 0.00 0.00 0.00 178.15 178.35 3gqj h GLU 291 N -0.26 0.46 -0.26 2.37 4.39 -1.12 -1.39 114.58 118.77 3gqj h GLU 291 Ca -0.01 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3gqj h GLU 291 Cb 0.23 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.77 3gqj h GLU 291 CO 0.01 0.31 0.15 1.15 -1.16 0.00 0.00 179.01 179.47 3gqj h THR 292 N 0.48 1.11 -0.56 1.13 2.02 -0.47 0.43 112.91 117.05 3gqj h THR 292 Ca 0.50 -0.30 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 3gqj h THR 292 Cb 0.83 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.05 3gqj h THR 292 CO -0.45 0.11 0.24 -0.07 0.37 0.00 0.00 175.52 175.72 3gqj h LEU 293 N 0.32 0.76 -0.90 2.58 3.38 -0.94 -1.51 115.31 119.00 3gqj h LEU 293 Ca 0.09 -0.16 0.01 0.00 0.09 0.00 0.00 57.88 57.92 3gqj h LEU 293 Cb 0.05 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 3gqj h LEU 293 CO -0.02 0.71 0.60 0.11 0.09 0.00 0.00 178.44 179.93 3gqj h LYS 294 N 0.76 1.18 -0.55 1.13 1.57 -1.01 -2.52 116.57 117.14 3gqj h LYS 294 Ca 0.19 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 3gqj h LYS 294 Cb 0.18 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3gqj h LYS 294 CO -0.02 0.78 0.28 0.66 -0.57 0.00 0.00 179.45 180.58 3gqj h SER 295 N 1.21 0.70 -0.31 0.86 4.64 -0.50 -2.32 113.55 117.83 3gqj h SER 295 Ca 0.33 -0.11 0.09 0.00 -0.47 0.00 0.00 61.79 61.63 3gqj h SER 295 Cb -0.13 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.77 3gqj h SER 295 CO -0.08 0.61 0.63 0.11 -0.87 0.00 0.00 176.83 177.23 3gqj h LYS 296 N 0.73 0.00 -0.01 4.77 1.57 -0.83 -3.51 116.57 119.29 3gqj h LYS 296 Ca 0.19 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3gqj h LYS 296 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3gqj h LYS 296 CO -0.03 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.13