#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx8 n GLY 2 N 0.00 0.85 2.98 0.00 0.00 -1.26 -4.90 105.19 102.87 2qx8 n GLY 2 Ca 0.00 -0.64 -0.11 0.00 0.00 0.00 0.00 46.02 45.27 2qx8 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx8 s LYS 3 N -3.00 0.24 -0.10 1.61 -0.14 -1.26 -5.08 119.74 112.01 2qx8 s LYS 3 Ca 0.00 -0.27 -0.01 0.00 -1.36 0.00 0.00 55.97 54.34 2qx8 s LYS 3 Cb 0.00 0.09 -0.03 0.00 -1.68 0.00 0.00 37.83 36.22 2qx8 s LYS 3 CO 0.00 -0.04 -0.06 0.15 -0.76 0.00 0.00 175.35 174.63 2qx8 s LYS 4 N -0.79 3.12 -0.06 1.68 1.02 -1.26 -1.09 119.74 122.36 2qx8 s LYS 4 Ca -0.09 -0.54 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2qx8 s LYS 4 Cb -0.05 -2.71 -0.00 0.00 -0.52 0.00 0.00 37.83 34.55 2qx8 s LYS 4 CO -0.00 0.49 -0.19 0.08 -0.92 0.00 0.00 175.35 174.81 2qx8 s VAL 5 N -0.32 1.57 -0.15 3.17 1.01 0.51 -0.07 120.40 126.10 2qx8 s VAL 5 Ca 0.05 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.23 2qx8 s VAL 5 Cb -0.12 -1.35 -0.02 0.00 0.00 0.00 0.00 36.38 34.88 2qx8 s VAL 5 CO 0.02 0.45 -0.08 -0.22 0.00 0.00 0.00 175.10 175.27 2qx8 s LEU 6 N 0.14 2.93 -0.25 3.92 2.96 -0.42 -1.09 118.68 126.87 2qx8 s LEU 6 Ca -0.07 -0.27 -0.06 0.00 -0.22 0.00 0.00 54.13 53.51 2qx8 s LEU 6 Cb -0.13 -1.69 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 2qx8 s LEU 6 CO 0.04 0.14 0.02 -0.63 -1.32 0.00 0.00 176.35 174.60 2qx8 s ILE 7 N 0.52 3.78 -0.37 6.68 1.01 0.33 -0.81 121.20 132.35 2qx8 s ILE 7 Ca -0.06 -0.48 -0.15 0.00 0.00 0.00 0.00 60.65 59.97 2qx8 s ILE 7 Cb -0.15 -2.81 -0.00 0.00 0.01 0.00 0.00 42.46 39.51 2qx8 s ILE 7 CO 0.03 0.30 0.33 -0.69 0.00 0.00 0.00 174.94 174.91 2qx8 s VAL 8 N 1.52 5.21 -0.11 2.92 1.01 0.50 -0.54 120.40 130.90 2qx8 s VAL 8 Ca 0.05 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.80 2qx8 s VAL 8 Cb -0.15 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2qx8 s VAL 8 CO 0.00 -0.16 -0.14 -0.47 0.00 0.00 0.00 175.10 174.33 2qx8 s TYR 9 N 1.88 2.77 -0.55 5.22 5.04 -0.25 -1.09 117.35 130.37 2qx8 s TYR 9 Ca 0.09 -0.61 0.06 0.00 -2.44 0.00 0.00 57.07 54.17 2qx8 s TYR 9 Cb -0.17 -1.80 0.20 0.00 0.35 0.00 0.00 41.96 40.54 2qx8 s TYR 9 CO 0.11 -0.17 0.52 0.00 -1.34 0.00 0.00 175.55 174.67 2qx8 n ALA 10 N 3.34 3.22 -3.16 3.97 0.00 -0.49 -1.35 120.51 126.04 2qx8 n ALA 10 Ca -0.18 -3.98 -0.13 0.00 0.00 0.00 0.00 53.44 49.16 2qx8 n ALA 10 Cb 0.53 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.99 2qx8 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qx8 s HIS 11 N -1.23 -0.21 -0.65 0.00 5.04 -1.26 -4.32 115.29 112.66 2qx8 s HIS 11 Ca 0.33 0.46 0.25 0.00 -1.54 0.00 0.00 55.06 54.56 2qx8 s HIS 11 Cb 0.07 0.07 0.66 0.00 0.04 0.00 0.00 32.58 33.42 2qx8 s HIS 11 CO -0.13 -0.23 1.70 1.96 -2.34 0.00 0.00 174.74 175.70 2qx8 h GLN 12 N 5.03 0.00 -4.61 2.88 7.50 -1.99 -3.44 115.11 120.49 2qx8 h GLN 12 Ca -0.28 0.00 -0.62 0.00 0.50 0.00 0.00 58.65 58.25 2qx8 h GLN 12 Cb 1.19 0.00 -0.37 0.00 0.05 0.00 0.00 27.48 28.35 2qx8 h GLN 12 CO 0.36 0.00 -0.81 -2.00 -1.50 0.00 0.00 178.83 174.89 2qx8 s GLU 13 N -3.13 2.05 0.48 1.46 2.56 -1.26 -4.99 118.70 115.87 2qx8 s GLU 13 Ca 0.09 -0.92 0.19 0.00 0.00 0.00 0.00 54.97 54.33 2qx8 s GLU 13 Cb 0.11 -2.50 1.22 0.00 2.00 0.00 0.00 34.13 34.95 2qx8 s GLU 13 CO 0.62 -0.45 2.00 -1.35 -0.56 0.00 0.00 175.26 175.52 2qx8 h PRO 14 N 7.94 0.18 -0.01 4.30 0.11 -1.98 -1.00 132.00 141.54 2qx8 h PRO 14 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2qx8 h PRO 14 Cb 1.09 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.16 2qx8 h PRO 14 CO 0.47 0.12 0.00 1.63 -0.21 0.00 0.00 178.00 180.01 2qx8 n LYS 15 N -4.44 1.25 -1.34 1.05 5.02 -1.26 -4.44 118.16 114.00 2qx8 n LYS 15 Ca 0.09 -0.36 -0.29 0.00 -2.02 0.00 0.00 58.31 55.73 2qx8 n LYS 15 Cb 0.46 -1.49 0.17 0.00 -0.02 0.00 0.00 35.03 34.15 2qx8 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qx8 s SER 16 N -1.99 2.76 0.19 4.39 1.04 -0.38 -4.82 113.70 114.89 2qx8 s SER 16 Ca 0.44 0.97 -0.10 0.00 0.48 0.00 0.00 55.95 57.74 2qx8 s SER 16 Cb 0.21 -1.52 0.12 0.00 0.10 0.00 0.00 66.02 64.93 2qx8 s SER 16 CO 0.35 -3.02 1.76 0.15 0.98 0.00 0.00 173.24 173.46 2qx8 h PHE 17 N -1.82 1.05 -0.87 5.02 3.57 -1.91 -0.43 116.94 121.54 2qx8 h PHE 17 Ca -0.51 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 60.92 2qx8 h PHE 17 Cb 1.32 -0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 2qx8 h PHE 17 CO -0.07 0.81 0.57 -0.91 -2.23 0.00 0.00 178.31 176.48 2qx8 h ASN 18 N 0.99 1.01 -1.00 0.41 2.35 -1.92 -0.48 115.58 116.93 2qx8 h ASN 18 Ca 0.23 -0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.96 2qx8 h ASN 18 Cb 0.19 -0.25 -0.05 0.00 0.05 0.00 0.00 38.32 38.26 2qx8 h ASN 18 CO -0.02 0.74 0.67 1.23 -1.65 0.00 0.00 177.43 178.40 2qx8 h GLY 19 N 1.19 1.41 1.12 2.83 0.00 -1.55 -0.27 103.07 107.80 2qx8 h GLY 19 Ca 0.32 -0.53 -0.10 0.00 0.00 0.00 0.00 47.33 47.02 2qx8 h GLY 19 CO -0.07 0.51 -0.04 1.76 0.00 0.00 0.00 176.54 178.71 2qx8 h SER 20 N 1.36 1.03 -0.49 0.19 0.02 -0.13 0.21 113.55 115.74 2qx8 h SER 20 Ca 0.37 -0.31 -0.09 0.00 -0.84 0.00 0.00 61.79 60.92 2qx8 h SER 20 Cb -0.15 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.09 2qx8 h SER 20 CO -0.08 1.10 -0.05 -0.07 -1.14 0.00 0.00 176.83 176.59 2qx8 h LEU 21 N 0.95 0.92 -0.47 5.07 3.38 -0.62 -0.54 115.31 123.99 2qx8 h LEU 21 Ca 0.16 -0.26 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 2qx8 h LEU 21 Cb 0.59 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.08 2qx8 h LEU 21 CO 0.04 1.00 0.04 0.50 0.09 0.00 0.00 178.44 180.11 2qx8 h LYS 22 N 0.85 0.80 -0.26 1.13 3.11 -0.81 -2.33 116.57 119.06 2qx8 h LYS 22 Ca 0.15 -0.23 -0.13 0.00 -2.81 0.00 0.00 60.65 57.62 2qx8 h LYS 22 Cb 0.57 -0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 31.70 2qx8 h LYS 22 CO 0.03 0.83 -0.38 -0.91 -2.81 0.00 0.00 179.45 176.21 2qx8 h ASN 23 N 0.66 0.63 0.30 4.20 2.35 -0.69 -1.36 115.58 121.67 2qx8 h ASN 23 Ca 0.14 -0.27 -0.09 0.00 -0.55 0.00 0.00 56.30 55.52 2qx8 h ASN 23 Cb 0.44 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 2qx8 h ASN 23 CO 0.02 0.95 -0.39 1.62 -1.65 0.00 0.00 177.43 177.97 2qx8 h VAL 24 N 0.49 1.30 -0.28 2.81 3.04 -1.06 0.50 116.25 123.05 2qx8 h VAL 24 Ca 0.05 -1.43 -0.09 0.00 -1.01 0.00 0.00 66.70 64.22 2qx8 h VAL 24 Cb 0.89 1.69 -0.01 0.00 -2.01 0.00 0.00 31.29 31.85 2qx8 h VAL 24 CO 0.08 0.42 -0.17 0.00 -1.01 0.00 0.00 177.57 176.89 2qx8 h ALA 25 N 1.48 0.39 -0.32 3.17 0.00 -0.91 -0.59 119.26 122.48 2qx8 h ALA 25 Ca 0.01 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2qx8 h ALA 25 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2qx8 h ALA 25 CO 0.06 0.31 0.16 0.28 0.00 0.00 0.00 179.25 180.06 2qx8 h VAL 26 N 0.34 1.15 -0.23 0.00 2.07 -0.98 -0.30 116.25 118.30 2qx8 h VAL 26 Ca 0.06 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.16 2qx8 h VAL 26 Cb 0.70 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 2qx8 h VAL 26 CO 0.05 0.15 0.15 0.44 0.02 0.00 0.00 177.57 178.38 2qx8 h ASP 27 N 0.39 0.26 -0.12 0.57 3.32 -0.79 -0.22 116.42 119.83 2qx8 h ASP 27 Ca 0.11 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.08 2qx8 h ASP 27 Cb 0.10 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 39.58 2qx8 h ASP 27 CO -0.02 0.20 -0.17 -0.08 -1.72 0.00 0.00 179.24 177.45 2qx8 h GLU 28 N 0.30 0.33 -0.30 3.56 4.57 -1.01 -0.54 114.58 121.49 2qx8 h GLU 28 Ca 0.08 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.00 2qx8 h GLU 28 Cb -0.03 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 2qx8 h GLU 28 CO -0.02 0.76 -0.13 -0.07 -1.18 0.00 0.00 179.01 178.38 2qx8 h LEU 29 N -0.09 0.49 -0.40 1.64 3.38 -1.04 -1.55 115.31 117.74 2qx8 h LEU 29 Ca 0.01 -0.13 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2qx8 h LEU 29 Cb 0.73 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 2qx8 h LEU 29 CO 0.04 0.66 0.09 -1.28 0.09 0.00 0.00 178.44 178.03 2qx8 h SER 30 N 0.47 0.62 -0.70 -0.43 0.87 -0.97 -1.47 113.55 111.94 2qx8 h SER 30 Ca 0.09 -0.24 0.03 0.00 -1.23 0.00 0.00 61.79 60.43 2qx8 h SER 30 Cb 0.51 -0.16 -0.04 0.00 -0.44 0.00 0.00 62.40 62.27 2qx8 h SER 30 CO 0.03 0.70 0.46 -0.09 -0.53 0.00 0.00 176.83 177.41 2qx8 h ARG 31 N 0.51 0.83 0.00 2.24 2.43 -0.58 -0.57 114.38 119.25 2qx8 h ARG 31 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2qx8 h ARG 31 Cb 0.33 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 2qx8 h ARG 31 CO 0.00 0.55 0.00 1.04 -1.51 0.00 0.00 179.97 180.06 2qx8 n GLN 32 N -4.45 0.07 -0.28 0.20 6.02 -0.63 -4.87 117.38 113.44 2qx8 n GLN 32 Ca 0.08 0.27 0.00 0.00 -0.01 0.00 0.00 57.00 57.35 2qx8 n GLN 32 Cb 0.11 -1.62 0.00 0.00 1.02 0.00 0.00 30.24 29.75 2qx8 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qx8 n GLY 33 N 0.21 0.80 3.80 1.08 0.00 -0.22 -2.80 105.19 108.05 2qx8 n GLY 33 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 2qx8 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx8 s THR 35 N -2.80 5.21 -0.04 0.00 2.01 -0.25 -4.52 115.64 115.24 2qx8 s THR 35 Ca 0.61 0.83 0.03 0.00 0.31 0.00 0.00 61.69 63.47 2qx8 s THR 35 Cb -0.16 -3.77 0.00 0.00 0.01 0.00 0.00 72.50 68.59 2qx8 s THR 35 CO 0.50 0.31 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.93 2qx8 s VAL 36 N 0.80 1.03 -0.02 3.82 1.01 -1.26 -0.37 120.40 125.42 2qx8 s VAL 36 Ca 0.23 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.76 2qx8 s VAL 36 Cb -0.15 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.31 2qx8 s VAL 36 CO 0.08 0.31 -0.14 -0.89 0.00 0.00 0.00 175.10 174.47 2qx8 s THR 37 N 0.23 1.08 -0.12 3.92 2.01 -0.25 -4.98 115.64 117.53 2qx8 s THR 37 Ca -0.05 -0.58 0.03 0.00 0.31 0.00 0.00 61.69 61.40 2qx8 s THR 37 Cb -0.11 -0.91 0.01 0.00 0.01 0.00 0.00 72.50 71.50 2qx8 s THR 37 CO 0.01 0.31 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.34 2qx8 s VAL 38 N -0.24 2.03 -0.52 3.82 1.01 -1.26 -0.51 120.40 124.74 2qx8 s VAL 38 Ca 0.04 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.88 2qx8 s VAL 38 Cb -0.06 -1.78 0.11 0.00 0.00 0.00 0.00 36.38 34.64 2qx8 s VAL 38 CO -0.00 0.55 0.47 -0.44 0.00 0.00 0.00 175.10 175.67 2qx8 s SER 39 N 0.65 6.17 -0.83 3.32 0.01 0.29 -4.96 113.70 118.37 2qx8 s SER 39 Ca -0.11 -1.60 -0.20 0.00 1.31 0.00 0.00 55.95 55.34 2qx8 s SER 39 Cb -0.16 -2.20 0.10 0.00 0.21 0.00 0.00 66.02 63.97 2qx8 s SER 39 CO 0.02 -0.78 1.08 -0.62 0.41 0.00 0.00 173.24 173.34 2qx8 s ASP 40 N 3.22 6.44 0.19 2.44 -1.08 -1.26 -1.09 116.67 125.53 2qx8 s ASP 40 Ca 0.04 -1.60 -0.12 0.00 -0.52 0.00 0.00 52.55 50.35 2qx8 s ASP 40 Cb -0.28 -2.41 0.16 0.00 -1.46 0.00 0.00 42.92 38.93 2qx8 s ASP 40 CO 0.04 -1.23 1.81 -0.07 0.52 0.00 0.00 175.17 176.24 2qx8 h LEU 41 N 10.90 0.53 -0.74 -1.34 3.38 -1.58 -0.79 115.31 125.68 2qx8 h LEU 41 Ca -0.02 0.01 -0.10 0.00 0.09 0.00 0.00 57.88 57.86 2qx8 h LEU 41 Cb 1.04 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 2qx8 h LEU 41 CO 1.16 0.36 -0.14 1.88 0.09 0.00 0.00 178.44 181.79 2qx8 h TYR 42 N 0.66 0.91 0.00 1.13 0.05 -1.84 -1.16 116.97 116.72 2qx8 h TYR 42 Ca 0.25 -0.18 -0.07 0.00 0.05 0.00 0.00 58.73 58.78 2qx8 h TYR 42 Cb 0.08 -0.23 -0.01 0.00 1.01 0.00 0.00 36.73 37.58 2qx8 h TYR 42 CO -0.07 0.90 -0.32 0.00 -1.05 0.00 0.00 178.16 177.62 2qx8 h ALA 43 N 1.11 1.46 -0.00 3.88 0.00 -1.70 -1.54 119.26 122.46 2qx8 h ALA 43 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2qx8 h ALA 43 Cb 0.64 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2qx8 h ALA 43 CO 0.04 0.40 -0.04 -1.33 0.00 0.00 0.00 179.25 178.33 2qx8 n MET 44 N -4.14 0.42 -4.00 0.00 2.81 -0.37 -4.90 117.12 106.94 2qx8 n MET 44 Ca -0.02 -0.05 -0.30 0.00 -1.81 0.00 0.00 57.70 55.52 2qx8 n MET 44 Cb 0.36 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.38 2qx8 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qx8 n ASN 45 N -1.25 -3.21 -4.66 7.83 5.15 -0.58 -4.81 115.26 113.73 2qx8 n ASN 45 Ca 0.13 -0.89 -0.46 0.00 -0.60 0.00 0.00 54.58 52.75 2qx8 n ASN 45 Cb 0.26 -3.42 -0.04 0.00 -0.53 0.00 0.00 39.78 36.06 2qx8 n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2qx8 n PHE 46 N -4.50 2.11 -2.45 1.20 7.35 -0.51 -4.90 117.46 115.76 2qx8 n PHE 46 Ca -0.04 0.38 -0.43 0.00 -0.76 0.00 0.00 57.45 56.60 2qx8 n PHE 46 Cb 0.56 -2.48 -0.02 0.00 0.35 0.00 0.00 39.48 37.89 2qx8 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qx8 s GLU 47 N 0.38 4.15 0.14 -4.13 2.56 -1.26 -4.92 118.70 115.62 2qx8 s GLU 47 Ca 0.76 1.52 0.23 0.00 0.00 0.00 0.00 54.97 57.48 2qx8 s GLU 47 Cb -0.71 -3.78 0.08 0.00 2.00 0.00 0.00 34.13 31.72 2qx8 s GLU 47 CO 0.43 -0.80 1.09 -2.30 -0.56 0.00 0.00 175.26 173.12 2qx8 n PRO 48 N 6.76 0.47 -2.68 4.30 -0.02 -1.26 -4.72 135.00 137.85 2qx8 n PRO 48 Ca 0.14 0.08 -0.41 0.00 -2.02 0.00 0.00 63.50 61.28 2qx8 n PRO 48 Cb 0.45 -1.73 -0.04 0.00 -0.02 0.00 0.00 33.50 32.16 2qx8 n PRO 48 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 2qx8 s ARG 49 N -3.29 4.66 -0.57 -0.52 0.52 -1.26 -4.33 118.95 114.16 2qx8 s ARG 49 Ca 0.02 1.50 -0.24 0.00 -0.52 0.00 0.00 55.73 56.49 2qx8 s ARG 49 Cb 0.12 -3.37 0.05 0.00 0.52 0.00 0.00 34.95 32.27 2qx8 s ARG 49 CO 0.78 0.15 0.93 0.00 0.02 0.00 0.00 175.30 177.19 2qx8 s ALA 50 N 0.09 3.16 0.30 2.13 0.00 -1.26 -4.98 121.76 121.19 2qx8 s ALA 50 Ca 0.48 -1.39 0.03 0.00 0.00 0.00 0.00 51.96 51.08 2qx8 s ALA 50 Cb -0.24 -3.75 -0.04 0.00 0.00 0.00 0.00 23.12 19.09 2qx8 s ALA 50 CO 0.30 -2.46 0.13 0.95 0.00 0.00 0.00 175.76 174.68 2qx8 s THR 51 N 3.93 0.48 -0.85 0.00 -4.23 -1.26 -5.02 115.64 108.70 2qx8 s THR 51 Ca 0.28 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.89 2qx8 s THR 51 Cb -0.14 -2.56 0.09 0.00 1.34 0.00 0.00 72.50 71.24 2qx8 s THR 51 CO 0.17 0.00 1.32 -0.90 -0.54 0.00 0.00 174.62 174.67 2qx8 n ASP 52 N -0.77 0.14 0.02 3.99 5.68 -1.26 -1.24 116.55 123.10 2qx8 n ASP 52 Ca -0.00 0.55 0.09 0.00 -0.50 0.00 0.00 54.79 54.93 2qx8 n ASP 52 Cb 0.65 -0.57 0.40 0.00 -1.14 0.00 0.00 41.12 40.46 2qx8 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qx8 n LYS 53 N -1.67 0.04 0.00 0.11 4.76 -1.26 -2.84 118.16 117.30 2qx8 n LYS 53 Ca 0.01 0.22 0.13 0.00 -2.87 0.00 0.00 58.31 55.80 2qx8 n LYS 53 Cb 0.09 -1.56 0.61 0.00 -1.84 0.00 0.00 35.03 32.33 2qx8 n LYS 53 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2qx8 n ASP 54 N -1.62 0.00 -4.16 4.39 8.00 -0.38 -4.63 116.55 118.15 2qx8 n ASP 54 Ca 0.04 0.20 -0.30 0.00 0.71 0.00 0.00 54.79 55.45 2qx8 n ASP 54 Cb 0.22 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 40.76 2qx8 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qx8 s ILE 55 N -2.79 1.79 -0.41 0.53 1.09 -1.13 -0.89 121.20 119.40 2qx8 s ILE 55 Ca 0.19 -0.86 0.14 0.00 -1.10 0.00 0.00 60.65 59.02 2qx8 s ILE 55 Cb 0.17 -1.57 -0.18 0.00 -1.06 0.00 0.00 42.46 39.82 2qx8 s ILE 55 CO 0.44 0.50 0.49 0.41 -0.10 0.00 0.00 174.94 176.68 2qx8 n THR 56 N 3.66 0.00 -1.80 2.92 -1.04 -0.28 -4.94 114.28 112.81 2qx8 n THR 56 Ca -0.20 -0.23 -0.02 0.00 -2.04 0.00 0.00 64.05 61.55 2qx8 n THR 56 Cb 0.52 0.66 0.01 0.00 -1.82 0.00 0.00 70.33 69.71 2qx8 n THR 56 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qx8 n GLY 57 N 1.47 0.01 3.71 3.41 0.00 -1.26 -4.99 105.19 107.54 2qx8 n GLY 57 Ca 0.01 -1.85 -0.42 0.00 0.00 0.00 0.00 46.02 43.76 2qx8 n GLY 57 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qx8 s THR 58 N -0.50 2.93 0.48 2.61 2.01 -1.26 -4.96 115.64 116.95 2qx8 s THR 58 Ca 0.06 0.63 -0.21 0.00 0.31 0.00 0.00 61.69 62.47 2qx8 s THR 58 Cb -0.00 -3.40 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 2qx8 s THR 58 CO 0.04 0.04 1.09 -0.76 -0.69 0.00 0.00 174.62 174.33 2qx8 s LEU 59 N 1.40 3.90 0.19 4.42 1.43 -1.26 -4.94 118.68 123.81 2qx8 s LEU 59 Ca 0.69 2.08 -0.07 0.00 -1.03 0.00 0.00 54.13 55.79 2qx8 s LEU 59 Cb -0.41 -4.44 0.10 0.00 0.03 0.00 0.00 46.19 41.47 2qx8 s LEU 59 CO 0.31 -0.87 1.61 -1.28 0.23 0.00 0.00 176.35 176.35 2qx8 h SER 60 N 1.71 0.95 -2.43 2.29 0.87 -1.94 -3.38 113.55 111.63 2qx8 h SER 60 Ca -0.49 -0.32 -0.56 0.00 -1.23 0.00 0.00 61.79 59.18 2qx8 h SER 60 Cb 1.24 -0.26 -0.38 0.00 -0.44 0.00 0.00 62.40 62.56 2qx8 h SER 60 CO 0.59 1.08 -0.89 0.21 -0.53 0.00 0.00 176.83 177.30 2qx8 s ASN 61 N -6.69 2.14 0.35 6.23 3.84 -1.26 -4.99 114.94 114.56 2qx8 s ASN 61 Ca -0.11 -2.50 0.26 0.00 0.21 0.00 0.00 52.86 50.72 2qx8 s ASN 61 Cb 0.13 -0.31 1.24 0.00 -0.55 0.00 0.00 41.25 41.76 2qx8 s ASN 61 CO 0.85 -0.25 1.78 1.55 -2.79 0.00 0.00 177.10 178.25 2qx8 h PRO 62 N 6.42 0.00 0.11 0.43 0.13 -1.99 -3.02 132.00 134.08 2qx8 h PRO 62 Ca 0.15 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 65.01 2qx8 h PRO 62 Cb 0.95 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.09 2qx8 h PRO 62 CO 0.30 0.00 -1.20 0.93 -0.23 0.00 0.00 178.00 177.80 2qx8 h GLU 63 N 0.00 0.30 -3.15 0.86 4.39 -1.97 -3.43 114.58 111.60 2qx8 h GLU 63 Ca 0.00 -0.48 -0.51 0.00 0.34 0.00 0.00 59.36 58.71 2qx8 h GLU 63 Cb 0.19 0.17 -0.40 0.00 -0.10 0.00 0.00 28.75 28.61 2qx8 h GLU 63 CO 0.00 1.21 -0.76 0.08 -1.16 0.00 0.00 179.01 178.37 2qx8 s VAL 64 N -2.76 0.19 -0.06 3.13 1.01 -1.14 -5.12 120.40 115.65 2qx8 s VAL 64 Ca -0.04 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2qx8 s VAL 64 Cb 0.07 -0.97 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 2qx8 s VAL 64 CO 0.88 -0.47 1.24 0.12 0.00 0.00 0.00 175.10 176.87 2qx8 s PHE 65 N 1.99 3.09 -0.27 5.22 5.36 -1.26 -4.77 117.98 127.34 2qx8 s PHE 65 Ca 0.05 1.13 0.02 0.00 -0.96 0.00 0.00 56.93 57.16 2qx8 s PHE 65 Cb -0.16 -3.47 0.07 0.00 -0.34 0.00 0.00 43.02 39.12 2qx8 s PHE 65 CO -0.21 -1.54 -0.04 1.21 -1.46 0.00 0.00 175.22 173.18 2qx8 s ASN 66 N 1.61 4.25 0.19 6.13 3.84 -1.26 -5.03 114.94 124.67 2qx8 s ASN 66 Ca 0.57 -1.47 -0.12 0.00 0.21 0.00 0.00 52.86 52.05 2qx8 s ASN 66 Cb -0.25 -1.37 0.20 0.00 -0.55 0.00 0.00 41.25 39.27 2qx8 s ASN 66 CO 0.22 -0.26 1.76 0.22 -2.79 0.00 0.00 177.10 176.25 2qx8 h TYR 67 N 7.83 0.38 -0.34 0.43 3.20 -1.97 -0.74 116.97 125.77 2qx8 h TYR 67 Ca -0.15 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.73 2qx8 h TYR 67 Cb 1.05 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.21 2qx8 h TYR 67 CO 0.53 0.13 0.15 0.78 -1.64 0.00 0.00 178.16 178.12 2qx8 h GLY 68 N 0.41 0.54 0.92 1.82 0.00 -1.99 -0.07 103.07 104.71 2qx8 h GLY 68 Ca 0.26 -0.28 -0.03 0.00 0.00 0.00 0.00 47.33 47.28 2qx8 h GLY 68 CO -0.24 0.26 0.11 -2.08 0.00 0.00 0.00 176.54 174.59 2qx8 h VAL 69 N 0.41 1.21 -0.36 4.60 2.07 -1.91 -1.78 116.25 120.49 2qx8 h VAL 69 Ca 0.12 -0.70 -0.13 0.00 0.82 0.00 0.00 66.70 66.80 2qx8 h VAL 69 Cb 0.15 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2qx8 h VAL 69 CO -0.01 0.24 -0.32 -0.33 0.02 0.00 0.00 177.57 177.17 2qx8 h GLU 70 N 0.43 0.78 -0.02 1.57 4.39 -1.05 -1.60 114.58 119.08 2qx8 h GLU 70 Ca 0.12 -0.37 -0.15 0.00 0.34 0.00 0.00 59.36 59.30 2qx8 h GLU 70 Cb 0.26 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 2qx8 h GLU 70 CO -0.00 0.99 -0.67 1.79 -1.16 0.00 0.00 179.01 179.96 2qx8 h THR 71 N 0.66 1.45 -0.21 1.13 1.35 -0.97 0.11 112.91 116.42 2qx8 h THR 71 Ca 0.07 -2.21 -0.01 0.00 -0.55 0.00 0.00 66.41 63.70 2qx8 h THR 71 Cb 0.86 2.18 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 2qx8 h THR 71 CO 0.08 0.64 0.08 -0.74 -0.25 0.00 0.00 175.52 175.32 2qx8 h HIS 72 N 0.08 0.33 -0.55 4.73 -0.00 -1.07 0.56 115.15 119.23 2qx8 h HIS 72 Ca -0.01 -0.03 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 2qx8 h HIS 72 Cb 1.19 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 28.48 2qx8 h HIS 72 CO 0.01 0.39 0.07 1.49 -0.00 0.00 0.00 177.93 179.89 2qx8 h GLU 73 N 0.18 0.93 -0.50 5.26 4.57 -1.18 -2.26 114.58 121.58 2qx8 h GLU 73 Ca 0.07 -0.26 -0.03 0.00 -1.18 0.00 0.00 59.36 57.96 2qx8 h GLU 73 Cb 0.20 -0.10 -0.02 0.00 -0.16 0.00 0.00 28.75 28.67 2qx8 h GLU 73 CO -0.00 0.91 0.19 0.00 -1.18 0.00 0.00 179.01 178.92 2qx8 h ALA 74 N 0.98 1.40 -0.30 2.92 0.00 -0.81 0.29 119.26 123.74 2qx8 h ALA 74 Ca 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2qx8 h ALA 74 Cb 0.44 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2qx8 h ALA 74 CO 0.02 0.45 0.08 -0.92 0.00 0.00 0.00 179.25 178.88 2qx8 h TYR 75 N 0.71 0.49 -0.24 0.00 3.20 -0.56 0.24 116.97 120.81 2qx8 h TYR 75 Ca 0.17 -0.05 -0.07 0.00 3.14 0.00 0.00 58.73 61.92 2qx8 h TYR 75 Cb 0.16 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2qx8 h TYR 75 CO 0.01 0.51 -0.16 0.87 -1.64 0.00 0.00 178.16 177.75 2qx8 h LYS 76 N 0.32 0.41 -0.00 1.82 1.57 -0.81 -2.72 116.57 117.15 2qx8 h LYS 76 Ca 0.09 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2qx8 h LYS 76 Cb 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2qx8 h LYS 76 CO -0.00 0.57 -0.41 1.04 -0.57 0.00 0.00 179.45 180.08 2qx8 n GLN 77 N -4.19 0.34 -3.07 3.15 1.13 0.03 -4.97 117.38 109.79 2qx8 n GLN 77 Ca -0.00 -0.20 -0.13 0.00 -1.94 0.00 0.00 57.00 54.73 2qx8 n GLN 77 Cb 0.33 -1.50 0.06 0.00 0.11 0.00 0.00 30.24 29.25 2qx8 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qx8 n ARG 78 N -1.16 -4.95 -0.43 -1.09 1.74 0.61 -4.95 116.66 106.43 2qx8 n ARG 78 Ca 0.08 0.62 0.07 0.00 -0.77 0.00 0.00 57.85 57.85 2qx8 n ARG 78 Cb 0.34 -4.95 0.13 0.00 -1.02 0.00 0.00 32.46 26.95 2qx8 n ARG 78 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2qx8 n SER 79 N -2.45 1.68 -4.85 0.55 3.41 0.14 -5.04 113.62 107.06 2qx8 n SER 79 Ca -0.18 -3.06 -0.32 0.00 -0.26 0.00 0.00 58.87 55.05 2qx8 n SER 79 Cb 0.61 -0.41 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2qx8 n SER 79 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2qx8 s LEU 80 N -2.27 3.58 0.53 1.04 1.43 -1.24 -1.12 118.68 120.64 2qx8 s LEU 80 Ca 0.29 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.70 2qx8 s LEU 80 Cb 0.27 -4.48 -0.06 0.00 0.03 0.00 0.00 46.19 41.96 2qx8 s LEU 80 CO -0.02 -0.62 1.30 0.00 0.23 0.00 0.00 176.35 177.24 2qx8 n ALA 81 N -1.72 1.38 0.25 4.21 0.00 -0.07 -4.81 120.51 119.75 2qx8 n ALA 81 Ca 0.06 0.14 0.10 0.00 0.00 0.00 0.00 53.44 53.74 2qx8 n ALA 81 Cb 0.54 -2.31 0.66 0.00 0.00 0.00 0.00 19.45 18.34 2qx8 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qx8 h SER 82 N 1.43 0.00 0.03 0.00 4.64 -1.94 -1.86 113.55 115.85 2qx8 h SER 82 Ca -0.50 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.76 2qx8 h SER 82 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.39 2qx8 h SER 82 CO 0.57 0.11 -0.17 -2.24 -0.87 0.00 0.00 176.83 174.23 2qx8 h ASP 83 N 0.00 0.26 -0.02 4.97 2.03 -2.00 0.11 116.42 121.77 2qx8 h ASP 83 Ca -0.00 -0.06 -0.02 0.00 -0.73 0.00 0.00 57.03 56.22 2qx8 h ASP 83 Cb 0.23 -0.07 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 2qx8 h ASP 83 CO 0.01 0.45 -0.06 0.40 -1.03 0.00 0.00 179.24 179.02 2qx8 h ILE 84 N 0.25 1.46 -0.19 4.15 2.04 -1.71 -2.86 117.51 120.66 2qx8 h ILE 84 Ca 0.05 -1.43 -0.04 0.00 1.00 0.00 0.00 64.86 64.44 2qx8 h ILE 84 Cb 0.45 2.36 -0.01 0.00 -0.74 0.00 0.00 36.82 38.88 2qx8 h ILE 84 CO 0.03 0.38 -0.05 0.71 0.00 0.00 0.00 178.15 179.22 2qx8 h THR 85 N -0.48 1.15 -0.86 -0.27 1.35 -1.25 -0.87 112.91 111.68 2qx8 h THR 85 Ca -0.00 -0.62 -0.01 0.00 -0.55 0.00 0.00 66.41 65.23 2qx8 h THR 85 Cb 0.65 1.07 -0.04 0.00 -1.73 0.00 0.00 68.15 68.10 2qx8 h THR 85 CO 0.01 0.20 0.51 0.44 -0.25 0.00 0.00 175.52 176.44 2qx8 h ASP 86 N 0.27 1.03 -0.31 5.36 3.32 -0.96 -1.01 116.42 124.13 2qx8 h ASP 86 Ca 0.06 -0.07 -0.17 0.00 0.02 0.00 0.00 57.03 56.87 2qx8 h ASP 86 Cb 0.27 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 2qx8 h ASP 86 CO 0.01 0.80 -0.46 -0.33 -1.72 0.00 0.00 179.24 177.54 2qx8 h GLU 87 N 1.18 0.88 -0.47 3.56 4.39 -1.09 -2.84 114.58 120.20 2qx8 h GLU 87 Ca 0.31 -0.50 0.00 0.00 0.34 0.00 0.00 59.36 59.50 2qx8 h GLU 87 Cb -0.04 0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.62 2qx8 h GLU 87 CO -0.06 1.15 0.29 1.96 -1.16 0.00 0.00 179.01 181.19 2qx8 h GLN 88 N 0.70 0.63 -0.39 2.33 4.20 -0.85 -0.82 115.11 120.89 2qx8 h GLN 88 Ca 0.04 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.66 2qx8 h GLN 88 Cb 1.05 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 2qx8 h GLN 88 CO 0.11 0.43 0.08 -0.22 -0.67 0.00 0.00 178.83 178.56 2qx8 h LYS 89 N 0.64 0.64 -0.69 1.46 3.64 -1.03 0.19 116.57 121.42 2qx8 h LYS 89 Ca 0.17 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.36 2qx8 h LYS 89 Cb -0.04 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.67 2qx8 h LYS 89 CO -0.03 0.68 0.32 0.87 -2.27 0.00 0.00 179.45 179.01 2qx8 h LYS 90 N 0.50 0.99 -0.36 1.90 1.57 -1.11 -2.06 116.57 118.00 2qx8 h LYS 90 Ca 0.12 -0.15 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 2qx8 h LYS 90 Cb 0.33 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 2qx8 h LYS 90 CO 0.00 0.79 -0.06 0.28 -0.57 0.00 0.00 179.45 179.89 2qx8 h VAL 91 N 0.96 1.27 -0.89 0.50 2.07 -0.92 -2.17 116.25 117.07 2qx8 h VAL 91 Ca 0.23 -1.11 0.07 0.00 0.82 0.00 0.00 66.70 66.72 2qx8 h VAL 91 Cb 0.13 1.26 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2qx8 h VAL 91 CO -0.03 0.37 0.58 -0.09 0.02 0.00 0.00 177.57 178.42 2qx8 h ARG 92 N 0.48 0.95 0.00 1.57 2.43 -0.41 -2.31 114.38 117.09 2qx8 h ARG 92 Ca 0.09 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.16 2qx8 h ARG 92 Cb 0.56 -0.21 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 2qx8 h ARG 92 CO 0.03 0.63 -0.55 0.93 -1.51 0.00 0.00 179.97 179.50 2qx8 h GLU 93 N 0.98 0.00 -6.92 0.20 5.08 -1.29 -3.47 114.58 109.16 2qx8 h GLU 93 Ca 0.39 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.25 2qx8 h GLU 93 Cb 0.25 0.00 0.03 0.00 0.50 0.00 0.00 28.75 29.53 2qx8 h GLU 93 CO -0.15 0.16 0.47 0.00 -1.00 0.00 0.00 179.01 178.49 2qx8 s ALA 94 N -3.15 3.18 -0.11 3.43 0.00 -0.83 -4.73 121.76 119.55 2qx8 s ALA 94 Ca 0.03 0.86 0.16 0.00 0.00 0.00 0.00 51.96 53.01 2qx8 s ALA 94 Cb 0.07 -3.33 -0.21 0.00 0.00 0.00 0.00 23.12 19.65 2qx8 s ALA 94 CO 0.74 -0.35 0.54 -0.25 0.00 0.00 0.00 175.76 176.44 2qx8 n ASP 95 N 0.23 0.58 -3.83 0.00 8.00 0.89 -4.89 116.55 117.53 2qx8 n ASP 95 Ca 0.04 0.27 -0.15 0.00 0.71 0.00 0.00 54.79 55.65 2qx8 n ASP 95 Cb 0.47 0.43 -0.15 0.00 -0.02 0.00 0.00 41.12 41.85 2qx8 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qx8 s LEU 96 N -5.72 1.45 -0.19 0.64 2.96 -1.01 -1.04 118.68 115.77 2qx8 s LEU 96 Ca -0.06 -0.01 0.01 0.00 -0.22 0.00 0.00 54.13 53.85 2qx8 s LEU 96 Cb 0.08 -0.13 0.02 0.00 0.50 0.00 0.00 46.19 46.67 2qx8 s LEU 96 CO 0.83 -0.06 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.91 2qx8 s VAL 97 N 0.64 2.10 -0.14 1.68 1.01 0.29 -1.30 120.40 124.68 2qx8 s VAL 97 Ca -0.06 -0.97 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 2qx8 s VAL 97 Cb -0.09 -1.90 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 2qx8 s VAL 97 CO -0.01 0.50 0.01 -0.63 0.00 0.00 0.00 175.10 174.97 2qx8 s ILE 98 N 1.28 4.37 -0.21 2.22 1.01 0.01 -1.10 121.20 128.77 2qx8 s ILE 98 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.44 2qx8 s ILE 98 Cb -0.13 -2.91 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 2qx8 s ILE 98 CO -0.12 0.52 0.01 -0.36 0.00 0.00 0.00 174.94 174.99 2qx8 s PHE 99 N -0.08 3.05 -0.23 3.97 0.08 -0.21 -0.37 117.98 124.18 2qx8 s PHE 99 Ca 0.04 -0.49 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 2qx8 s PHE 99 Cb -0.13 -2.12 0.02 0.00 -0.57 0.00 0.00 43.02 40.23 2qx8 s PHE 99 CO 0.02 -0.29 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.62 2qx8 s GLN 100 N 1.16 2.95 0.03 0.44 2.00 -0.25 -0.31 119.66 125.67 2qx8 s GLN 100 Ca 0.03 -0.89 -0.27 0.00 -2.00 0.00 0.00 55.36 52.23 2qx8 s GLN 100 Cb -0.14 -2.89 0.09 0.00 0.80 0.00 0.00 33.01 30.87 2qx8 s GLN 100 CO 0.02 -0.32 0.76 -0.59 -0.50 0.00 0.00 175.29 174.66 2qx8 s PHE 101 N 1.34 -0.47 0.22 1.67 -0.12 -0.69 -1.40 117.98 118.54 2qx8 s PHE 101 Ca 0.02 0.44 -0.22 0.00 -0.05 0.00 0.00 56.93 57.12 2qx8 s PHE 101 Cb -0.15 0.52 -0.08 0.00 -0.63 0.00 0.00 43.02 42.67 2qx8 s PHE 101 CO -0.06 -0.64 0.78 -1.25 -0.05 0.00 0.00 175.22 173.99 2qx8 s PRO 102 N -2.84 4.40 0.05 1.99 0.04 -1.26 -1.75 135.00 135.64 2qx8 s PRO 102 Ca 0.00 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.77 2qx8 s PRO 102 Cb -0.01 -2.98 -0.06 0.00 0.04 0.00 0.00 34.50 31.48 2qx8 s PRO 102 CO -0.06 0.43 1.37 -1.17 0.04 0.00 0.00 177.00 177.61 2qx8 s LEU 103 N -1.73 4.34 -0.19 -3.56 2.96 0.18 -4.27 118.68 116.41 2qx8 s LEU 103 Ca 0.42 2.19 0.01 0.00 -0.22 0.00 0.00 54.13 56.53 2qx8 s LEU 103 Cb -0.19 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 42.96 2qx8 s LEU 103 CO 0.23 -0.66 -0.14 -0.31 -1.32 0.00 0.00 176.35 174.14 2qx8 s TYR 104 N 1.72 2.58 -1.40 5.38 1.51 -0.31 -4.77 117.35 122.06 2qx8 s TYR 104 Ca 0.64 -1.61 -0.00 0.00 -1.01 0.00 0.00 57.07 55.08 2qx8 s TYR 104 Cb -0.33 -1.75 -0.00 0.00 -0.11 0.00 0.00 41.96 39.76 2qx8 s TYR 104 CO 0.28 -0.76 0.42 0.91 -1.11 0.00 0.00 175.55 175.29 2qx8 n TRP 105 N 4.65 -1.65 -1.86 2.71 7.02 -1.26 -1.55 117.44 125.50 2qx8 n TRP 105 Ca -0.17 0.75 -0.19 0.00 -1.02 0.00 0.00 57.50 56.87 2qx8 n TRP 105 Cb 0.48 -3.76 -0.05 0.00 -2.42 0.00 0.00 31.31 25.55 2qx8 n TRP 105 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 2qx8 n PHE 106 N -4.40 -0.34 -2.77 -5.99 3.01 -1.26 -4.89 117.46 100.82 2qx8 n PHE 106 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2qx8 n PHE 106 Cb 0.69 -3.37 0.00 0.00 -0.01 0.00 0.00 39.48 36.79 2qx8 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qx8 n SER 107 N -1.24 0.00 -4.87 4.37 2.88 -0.59 -4.85 113.62 109.32 2qx8 n SER 107 Ca -0.20 -0.44 -0.31 0.00 -1.33 0.00 0.00 58.87 56.58 2qx8 n SER 107 Cb 0.64 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 64.05 2qx8 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qx8 s VAL 108 N -2.49 4.81 0.61 2.46 -7.23 -1.26 -1.16 120.40 116.13 2qx8 s VAL 108 Ca 0.00 0.66 -0.19 0.00 -1.81 0.00 0.00 61.98 60.64 2qx8 s VAL 108 Cb 0.00 -3.65 -0.03 0.00 0.56 0.00 0.00 36.38 33.25 2qx8 s VAL 108 CO 0.00 -0.25 1.14 -2.65 -0.31 0.00 0.00 175.10 173.04 2qx8 n PRO 109 N -0.58 1.09 -0.26 4.82 -0.02 -1.26 -4.59 135.00 134.20 2qx8 n PRO 109 Ca 0.02 0.42 0.19 0.00 -2.02 0.00 0.00 63.50 62.11 2qx8 n PRO 109 Cb 0.53 -2.36 0.50 0.00 -0.02 0.00 0.00 33.50 32.15 2qx8 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx8 h ALA 110 N 0.64 2.17 -0.73 3.55 0.00 -1.96 0.24 119.26 123.17 2qx8 h ALA 110 Ca -0.50 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.40 2qx8 h ALA 110 Cb 1.35 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 2qx8 h ALA 110 CO 0.53 -0.46 0.32 0.97 0.00 0.00 0.00 179.25 180.60 2qx8 h ILE 111 N 0.44 1.24 -0.00 0.00 2.10 -1.94 0.75 117.51 120.09 2qx8 h ILE 111 Ca 0.48 -0.72 -0.21 0.00 1.08 0.00 0.00 64.86 65.49 2qx8 h ILE 111 Cb 1.16 0.34 -0.01 0.00 -1.09 0.00 0.00 36.82 37.23 2qx8 h ILE 111 CO -0.20 0.30 -0.89 0.25 -1.08 0.00 0.00 178.15 176.53 2qx8 h LEU 112 N 1.05 0.38 -1.25 2.19 5.85 -1.42 -2.63 115.31 119.49 2qx8 h LEU 112 Ca 0.25 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 2qx8 h LEU 112 Cb 0.16 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.04 2qx8 h LEU 112 CO -0.03 1.10 0.36 0.50 -0.34 0.00 0.00 178.44 180.03 2qx8 h LYS 113 N 0.17 0.87 -0.53 1.25 1.63 -0.46 -1.18 116.57 118.32 2qx8 h LYS 113 Ca -0.06 -0.09 -0.06 0.00 -0.85 0.00 0.00 60.65 59.60 2qx8 h LYS 113 Cb 1.52 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.95 2qx8 h LYS 113 CO 0.14 0.64 0.08 0.78 -3.45 0.00 0.00 179.45 177.64 2qx8 h GLY 114 N 0.94 0.90 0.94 5.01 0.00 -0.70 0.11 103.07 110.28 2qx8 h GLY 114 Ca 0.23 -0.56 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 2qx8 h GLY 114 CO -0.04 0.52 0.15 -0.25 0.00 0.00 0.00 176.54 176.92 2qx8 h TRP 115 N 0.80 0.43 -0.62 5.60 7.01 -1.00 -0.40 115.95 127.77 2qx8 h TRP 115 Ca 0.17 -0.02 -0.00 0.00 2.11 0.00 0.00 58.89 61.14 2qx8 h TRP 115 Cb 0.37 -0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 27.27 2qx8 h TRP 115 CO 0.02 0.38 0.38 0.52 -2.79 0.00 0.00 178.44 176.95 2qx8 h MET 116 N 0.36 0.84 -0.49 2.65 2.86 -0.61 0.98 114.93 121.52 2qx8 h MET 116 Ca 0.10 -0.07 -0.11 0.00 -2.06 0.00 0.00 59.70 57.56 2qx8 h MET 116 Cb 0.11 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 2qx8 h MET 116 CO -0.01 0.60 -0.15 -0.44 1.06 0.00 0.00 176.91 177.97 2qx8 h ASP 117 N 0.84 0.95 0.23 1.22 3.32 -0.58 -3.05 116.42 119.34 2qx8 h ASP 117 Ca 0.22 -0.32 -0.34 0.00 0.02 0.00 0.00 57.03 56.61 2qx8 h ASP 117 Cb -0.03 -0.26 -0.05 0.00 0.22 0.00 0.00 39.33 39.21 2qx8 h ASP 117 CO -0.04 1.08 -2.03 0.54 -1.72 0.00 0.00 179.24 177.07 2qx8 n ARG 118 N -4.13 0.68 0.09 3.56 1.74 -0.18 -4.43 116.66 113.99 2qx8 n ARG 118 Ca 0.01 0.20 -0.18 0.00 -0.77 0.00 0.00 57.85 57.11 2qx8 n ARG 118 Cb 0.41 -1.68 -0.14 0.00 -1.02 0.00 0.00 32.46 30.03 2qx8 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qx8 h VAL 119 N 0.02 1.30 -1.11 1.55 2.07 -0.94 -3.38 116.25 115.76 2qx8 h VAL 119 Ca -0.42 -2.87 -0.74 0.00 0.82 0.00 0.00 66.70 63.49 2qx8 h VAL 119 Cb 2.06 2.88 -0.12 0.00 -1.52 0.00 0.00 31.29 34.59 2qx8 h VAL 119 CO 0.05 0.85 2.44 0.18 0.02 0.00 0.00 177.57 181.11 2qx8 n LEU 120 N -3.54 7.72 -4.91 2.57 4.77 -1.15 -4.81 117.00 117.66 2qx8 n LEU 120 Ca -0.14 -4.77 -0.27 0.00 -0.03 0.00 0.00 56.01 50.80 2qx8 n LEU 120 Cb 1.05 -1.41 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 2qx8 n LEU 120 CO 0.54 1.87 0.50 0.00 -1.33 0.00 0.00 177.39 178.97 2qx8 s GLN 122 N -4.89 3.87 0.00 0.00 0.74 -1.26 -1.45 119.66 116.67 2qx8 s GLN 122 Ca 0.51 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.32 2qx8 s GLN 122 Cb -0.10 -2.77 0.00 0.00 1.10 0.00 0.00 33.01 31.24 2qx8 s GLN 122 CO 0.46 -0.66 0.00 0.41 -0.55 0.00 0.00 175.29 174.94 2qx8 n GLY 123 N 0.57 2.96 0.18 2.59 0.00 0.94 -4.43 105.19 108.00 2qx8 n GLY 123 Ca 0.04 -0.36 -0.18 0.00 0.00 0.00 0.00 46.02 45.52 2qx8 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qx8 n PHE 124 N 0.00 0.00 -0.04 1.61 7.35 -0.77 -4.78 117.46 120.83 2qx8 n PHE 124 Ca 0.00 0.00 -0.02 0.00 -0.76 0.00 0.00 57.45 56.67 2qx8 n PHE 124 Cb 0.00 -0.69 -0.14 0.00 0.35 0.00 0.00 39.48 39.00 2qx8 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qx8 n ALA 125 N -4.27 1.94 -3.58 3.13 0.00 -0.53 -4.63 120.51 112.57 2qx8 n ALA 125 Ca -0.32 -0.89 -0.08 0.00 0.00 0.00 0.00 53.44 52.15 2qx8 n ALA 125 Cb 0.67 -0.57 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2qx8 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qx8 s PHE 126 N -2.87 -0.08 0.22 0.00 -0.71 -1.25 -1.67 117.98 111.62 2qx8 s PHE 126 Ca -0.07 -0.32 -0.06 0.00 -1.04 0.00 0.00 56.93 55.44 2qx8 s PHE 126 Cb 0.09 0.53 -0.02 0.00 -1.21 0.00 0.00 43.02 42.40 2qx8 s PHE 126 CO 0.84 -1.10 0.28 0.34 -1.34 0.00 0.00 175.22 174.24 2qx8 s ASP 127 N -2.92 0.05 -0.38 1.98 -1.08 -0.22 -0.04 116.67 114.07 2qx8 s ASP 127 Ca 0.12 -1.20 0.04 0.00 -0.52 0.00 0.00 52.55 51.00 2qx8 s ASP 127 Cb -0.04 0.47 0.11 0.00 -1.46 0.00 0.00 42.92 42.00 2qx8 s ASP 127 CO 0.04 -0.97 0.09 -0.63 0.52 0.00 0.00 175.17 174.22 2qx8 s ILE 128 N -4.09 2.33 0.85 4.11 -1.09 -1.26 -1.57 121.20 120.47 2qx8 s ILE 128 Ca 0.32 -2.54 -0.13 0.00 -2.23 0.00 0.00 60.65 56.08 2qx8 s ILE 128 Cb 0.04 -2.70 0.10 0.00 -1.58 0.00 0.00 42.46 38.32 2qx8 s ILE 128 CO 0.11 -0.64 1.20 -2.16 -1.23 0.00 0.00 174.94 172.21 2qx8 s PRO 129 N 0.67 1.66 0.00 2.79 0.04 -1.26 -5.14 135.00 133.76 2qx8 s PRO 129 Ca 0.12 0.05 0.00 0.00 0.04 0.00 0.00 61.00 61.22 2qx8 s PRO 129 Cb -0.20 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2qx8 s PRO 129 CO -0.07 -1.79 0.00 0.41 0.04 0.00 0.00 177.00 175.59 2qx8 n GLY 130 N -3.25 0.29 3.43 0.56 0.00 -0.61 -5.09 105.19 100.52 2qx8 n GLY 130 Ca 0.09 -0.67 -0.11 0.00 0.00 0.00 0.00 46.02 45.33 2qx8 n GLY 130 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2qx8 s PHE 131 N 0.00 0.75 0.00 1.61 -0.12 -1.17 -1.05 117.98 118.00 2qx8 s PHE 131 Ca 0.00 -1.04 0.00 0.00 -0.05 0.00 0.00 56.93 55.84 2qx8 s PHE 131 Cb 0.00 -0.13 0.00 0.00 -0.63 0.00 0.00 43.02 42.26 2qx8 s PHE 131 CO 0.00 -0.87 0.00 0.66 -0.05 0.00 0.00 175.22 174.96 2qx8 n TYR 132 N -0.36 0.00 0.24 3.49 4.01 0.80 -1.45 117.16 123.89 2qx8 n TYR 132 Ca 0.00 0.00 0.16 0.00 -0.16 0.00 0.00 57.90 57.90 2qx8 n TYR 132 Cb 0.63 0.00 0.84 0.00 -0.31 0.00 0.00 39.34 40.50 2qx8 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qx8 h ASP 133 N 0.00 0.00 -0.43 7.72 3.32 -1.89 0.63 116.42 125.78 2qx8 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qx8 h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qx8 h ASP 133 CO 0.00 0.00 0.00 -1.20 -1.72 0.00 0.00 179.24 176.32 2qx8 n SER 134 N -2.60 4.55 -4.71 6.45 7.64 -0.53 -4.94 113.62 119.48 2qx8 n SER 134 Ca -0.02 -2.82 -0.32 0.00 1.01 0.00 0.00 58.87 56.71 2qx8 n SER 134 Cb 0.08 -0.57 0.13 0.00 -1.01 0.00 0.00 64.21 62.84 2qx8 n SER 134 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qx8 s GLY 135 N -1.34 1.89 0.28 0.23 0.00 0.21 -3.03 107.32 105.55 2qx8 s GLY 135 Ca 0.46 0.62 0.26 0.00 0.00 0.00 0.00 44.72 46.05 2qx8 s GLY 135 CO 0.14 1.02 1.76 1.41 0.00 0.00 0.00 173.10 177.42 2qx8 h LEU 136 N -1.25 0.00 -3.25 0.66 3.38 -1.07 -2.74 115.31 111.05 2qx8 h LEU 136 Ca -0.45 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.49 2qx8 h LEU 136 Cb 1.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.00 2qx8 h LEU 136 CO 0.46 0.00 0.04 0.18 0.09 0.00 0.00 178.44 179.21 2qx8 n LEU 137 N -2.39 5.19 -4.68 1.67 4.77 0.40 -4.97 117.00 116.98 2qx8 n LEU 137 Ca 0.04 -2.64 -0.38 0.00 -0.03 0.00 0.00 56.01 53.00 2qx8 n LEU 137 Cb 0.35 -0.67 0.06 0.00 -2.33 0.00 0.00 43.42 40.83 2qx8 n LEU 137 CO 0.26 0.61 0.75 0.00 -1.33 0.00 0.00 177.39 177.67 2qx8 n GLN 138 N 0.43 1.12 0.00 3.23 10.64 -1.03 -2.31 117.38 129.45 2qx8 n GLN 138 Ca 0.26 0.43 0.00 0.00 -1.83 0.00 0.00 57.00 55.86 2qx8 n GLN 138 Cb 1.11 -2.36 0.00 0.00 -0.86 0.00 0.00 30.24 28.12 2qx8 n GLN 138 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2qx8 n GLY 139 N 1.07 1.39 3.84 2.61 0.00 -1.26 -4.99 105.19 107.85 2qx8 n GLY 139 Ca 0.14 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 2qx8 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx8 s LYS 140 N -0.66 3.09 0.06 1.61 1.02 -0.98 -5.00 119.74 118.89 2qx8 s LYS 140 Ca 0.00 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 55.36 2qx8 s LYS 140 Cb 0.00 -2.82 -0.04 0.00 -0.52 0.00 0.00 37.83 34.45 2qx8 s LYS 140 CO 0.00 0.56 0.10 -0.51 -0.92 0.00 0.00 175.35 174.58 2qx8 s LEU 141 N -2.66 3.91 0.03 3.17 1.43 -0.21 -1.02 118.68 123.33 2qx8 s LEU 141 Ca 0.32 0.07 0.01 0.00 -1.03 0.00 0.00 54.13 53.50 2qx8 s LEU 141 Cb -0.12 -2.50 -0.02 0.00 0.03 0.00 0.00 46.19 43.58 2qx8 s LEU 141 CO 0.25 0.20 -0.06 0.00 0.23 0.00 0.00 176.35 176.96 2qx8 s ALA 142 N -1.36 0.42 -0.08 4.21 0.00 -0.34 -0.55 121.76 124.06 2qx8 s ALA 142 Ca 0.29 -0.59 -0.04 0.00 0.00 0.00 0.00 51.96 51.61 2qx8 s ALA 142 Cb -0.12 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.08 2qx8 s ALA 142 CO 0.21 -0.03 0.19 -1.17 0.00 0.00 0.00 175.76 174.96 2qx8 s LEU 143 N -1.23 0.71 -0.25 0.00 0.20 -0.26 -0.82 118.68 117.02 2qx8 s LEU 143 Ca -0.09 0.39 -0.14 0.00 0.69 0.00 0.00 54.13 54.98 2qx8 s LEU 143 Cb -0.08 0.54 -0.04 0.00 -0.43 0.00 0.00 46.19 46.17 2qx8 s LEU 143 CO -0.00 -0.14 0.34 -0.76 -0.29 0.00 0.00 176.35 175.49 2qx8 s LEU 144 N 1.03 4.06 -0.36 -0.68 1.43 -1.26 -1.05 118.68 121.86 2qx8 s LEU 144 Ca -0.08 0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.27 2qx8 s LEU 144 Cb -0.09 -2.37 0.08 0.00 0.03 0.00 0.00 46.19 43.83 2qx8 s LEU 144 CO -0.06 -0.12 0.11 -0.55 0.23 0.00 0.00 176.35 175.96 2qx8 s SER 145 N 1.48 5.14 0.07 2.29 0.15 0.57 -0.68 113.70 122.72 2qx8 s SER 145 Ca 0.14 -1.59 0.08 0.00 0.70 0.00 0.00 55.95 55.28 2qx8 s SER 145 Cb -0.15 -1.79 -0.03 0.00 -1.71 0.00 0.00 66.02 62.33 2qx8 s SER 145 CO 0.09 -0.40 -0.19 -0.69 1.20 0.00 0.00 173.24 173.25 2qx8 s VAL 146 N 1.23 2.77 0.18 4.45 1.01 0.30 -1.70 120.40 128.64 2qx8 s VAL 146 Ca 0.01 -1.31 0.11 0.00 0.00 0.00 0.00 61.98 60.79 2qx8 s VAL 146 Cb -0.21 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 2qx8 s VAL 146 CO -0.02 0.26 -0.21 0.42 0.00 0.00 0.00 175.10 175.55 2qx8 s THR 147 N -0.99 2.57 0.24 3.92 -4.23 -0.72 -0.88 115.64 115.56 2qx8 s THR 147 Ca 0.16 -1.87 0.04 0.00 -1.18 0.00 0.00 61.69 58.84 2qx8 s THR 147 Cb -0.10 -2.23 -0.05 0.00 1.34 0.00 0.00 72.50 71.45 2qx8 s THR 147 CO 0.07 -0.07 -0.01 0.42 -0.54 0.00 0.00 174.62 174.49 2qx8 s THR 148 N -1.56 1.12 -0.15 3.99 -4.23 -1.00 -0.65 115.64 113.17 2qx8 s THR 148 Ca 0.21 -2.04 -0.07 0.00 -1.18 0.00 0.00 61.69 58.60 2qx8 s THR 148 Cb -0.09 -2.37 -0.24 0.00 1.34 0.00 0.00 72.50 71.14 2qx8 s THR 148 CO 0.11 -0.31 0.27 0.61 -0.54 0.00 0.00 174.62 174.75 2qx8 n GLY 149 N -0.45 -0.55 3.79 3.99 0.00 -1.26 -1.87 105.19 108.84 2qx8 n GLY 149 Ca -0.05 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.40 2qx8 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qx8 s GLY 150 N -5.64 2.23 0.66 -0.02 0.00 -1.26 -4.35 107.32 98.94 2qx8 s GLY 150 Ca -0.25 0.49 -0.11 0.00 0.00 0.00 0.00 44.72 44.85 2qx8 s GLY 150 CO 0.73 0.82 1.05 -0.51 0.00 0.00 0.00 173.10 175.19 2qx8 s THR 151 N -2.31 4.30 0.33 0.90 -4.23 -1.26 -3.26 115.64 110.11 2qx8 s THR 151 Ca 0.66 0.75 0.05 0.00 -1.18 0.00 0.00 61.69 61.96 2qx8 s THR 151 Cb -0.18 -3.64 0.30 0.00 1.34 0.00 0.00 72.50 70.32 2qx8 s THR 151 CO 0.35 -0.97 1.90 0.00 -0.54 0.00 0.00 174.62 175.36 2qx8 h ALA 152 N -0.52 1.67 -0.05 3.99 0.00 -1.93 -1.15 119.26 121.26 2qx8 h ALA 152 Ca -0.44 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.40 2qx8 h ALA 152 Cb 1.21 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 2qx8 h ALA 152 CO 0.60 0.16 -0.26 1.49 0.00 0.00 0.00 179.25 181.24 2qx8 h GLU 153 N 0.85 0.08 0.00 0.00 4.57 -2.00 -1.79 114.58 116.28 2qx8 h GLU 153 Ca 0.40 -0.02 -0.11 0.00 -1.18 0.00 0.00 59.36 58.44 2qx8 h GLU 153 Cb 0.41 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.98 2qx8 h GLU 153 CO -0.16 0.33 -0.53 0.52 -1.18 0.00 0.00 179.01 177.99 2qx8 h MET 154 N 0.07 0.00 -2.17 1.92 2.86 -1.59 -3.23 114.93 112.79 2qx8 h MET 154 Ca 0.01 0.00 -0.64 0.00 -2.06 0.00 0.00 59.70 57.01 2qx8 h MET 154 Cb 0.50 0.00 -0.19 0.00 0.06 0.00 0.00 31.60 31.97 2qx8 h MET 154 CO 0.04 0.53 1.07 0.66 1.06 0.00 0.00 176.91 180.27 2qx8 n TYR 155 N -3.75 2.21 -4.38 -0.22 4.01 -0.67 -1.83 117.16 112.52 2qx8 n TYR 155 Ca -0.01 -2.29 -0.20 0.00 -0.16 0.00 0.00 57.90 55.25 2qx8 n TYR 155 Cb 0.57 -1.43 -0.10 0.00 -0.31 0.00 0.00 39.34 38.06 2qx8 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qx8 s THR 156 N -2.73 1.55 0.35 -0.72 -4.23 -1.06 -2.69 115.64 106.11 2qx8 s THR 156 Ca 0.54 -2.13 0.12 0.00 -1.18 0.00 0.00 61.69 59.05 2qx8 s THR 156 Cb 0.33 -2.31 0.34 0.00 1.34 0.00 0.00 72.50 72.20 2qx8 s THR 156 CO -0.22 -0.39 1.76 0.11 -0.54 0.00 0.00 174.62 175.34 2qx8 h LYS 157 N 2.40 0.53 -0.54 3.99 1.57 -1.91 0.91 116.57 123.51 2qx8 h LYS 157 Ca -0.39 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.36 2qx8 h LYS 157 Cb 1.23 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 33.42 2qx8 h LYS 157 CO 0.65 0.35 0.00 0.25 -0.57 0.00 0.00 179.45 180.13 2qx8 n THR 158 N -4.74 0.72 -2.52 -0.16 -2.24 -1.26 -4.68 114.28 99.39 2qx8 n THR 158 Ca 0.25 -0.84 -0.24 0.00 -2.27 0.00 0.00 64.05 60.96 2qx8 n THR 158 Cb 0.75 0.71 0.04 0.00 -2.10 0.00 0.00 70.33 69.73 2qx8 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx8 s GLY 159 N -1.25 1.71 0.37 3.38 0.00 0.30 -5.00 107.32 106.83 2qx8 s GLY 159 Ca 0.43 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2qx8 s GLY 159 CO 0.32 -0.77 1.92 -0.39 0.00 0.00 0.00 173.10 174.19 2qx8 h VAL 160 N -0.11 1.17 0.00 1.40 -1.51 -1.82 -2.70 116.25 112.67 2qx8 h VAL 160 Ca -0.44 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.37 2qx8 h VAL 160 Cb 1.29 0.95 0.00 0.00 -2.13 0.00 0.00 31.29 31.40 2qx8 h VAL 160 CO 0.57 0.23 -0.34 0.59 -1.23 0.00 0.00 177.57 177.38 2qx8 n ASN 161 N -4.32 0.39 0.00 4.19 3.02 -0.76 -5.06 115.26 112.72 2qx8 n ASN 161 Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2qx8 n ASN 161 Cb 0.22 -0.04 0.00 0.00 -0.61 0.00 0.00 39.78 39.35 2qx8 n ASN 161 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2qx8 n GLY 162 N 1.47 -1.91 3.76 7.41 0.00 -1.02 -4.87 105.19 110.03 2qx8 n GLY 162 Ca 0.06 -1.51 -0.39 0.00 0.00 0.00 0.00 46.02 44.18 2qx8 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qx8 s ASP 163 N -4.80 5.63 0.42 1.61 2.15 -1.10 -2.56 116.67 118.02 2qx8 s ASP 163 Ca 0.00 2.79 0.10 0.00 0.43 0.00 0.00 52.55 55.87 2qx8 s ASP 163 Cb 0.00 -2.64 0.94 0.00 -0.30 0.00 0.00 42.92 40.92 2qx8 s ASP 163 CO 0.00 -1.33 2.02 0.77 -0.17 0.00 0.00 175.17 176.46 2qx8 h SER 164 N 1.91 0.42 0.24 -0.34 4.64 -1.84 -1.57 113.55 117.00 2qx8 h SER 164 Ca -0.51 -0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 60.80 2qx8 h SER 164 Cb 1.28 -0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qx8 h SER 164 CO 0.59 0.28 -0.06 0.03 -0.87 0.00 0.00 176.83 176.81 2qx8 h ARG 165 N 0.48 0.00 -0.47 4.77 3.08 -1.90 -2.76 114.38 117.58 2qx8 h ARG 165 Ca 0.21 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.27 2qx8 h ARG 165 Cb 0.23 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.26 2qx8 h ARG 165 CO -0.06 0.06 0.31 1.88 -1.07 0.00 0.00 179.97 181.09 2qx8 h TYR 166 N 0.00 0.59 0.00 3.04 0.05 -1.42 -2.03 116.97 117.20 2qx8 h TYR 166 Ca -0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 2qx8 h TYR 166 Cb 0.19 -0.20 0.00 0.00 1.01 0.00 0.00 36.73 37.73 2qx8 h TYR 166 CO 0.00 0.36 0.00 1.97 -1.05 0.00 0.00 178.16 179.44 2qx8 n PHE 167 N -4.77 0.31 0.54 4.88 1.16 -1.05 -2.91 117.46 115.64 2qx8 n PHE 167 Ca 0.02 0.10 0.13 0.00 -1.87 0.00 0.00 57.45 55.83 2qx8 n PHE 167 Cb 0.03 -0.67 0.42 0.00 -1.61 0.00 0.00 39.48 37.65 2qx8 n PHE 167 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2qx8 h LEU 168 N 0.00 0.00 -0.26 5.98 3.38 -1.33 -3.38 115.31 119.71 2qx8 h LEU 168 Ca 0.00 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2qx8 h LEU 168 Cb 0.47 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.16 2qx8 h LEU 168 CO 0.00 0.00 -0.18 -0.25 0.09 0.00 0.00 178.44 178.10 2qx8 h TRP 169 N 0.00 -0.46 -0.40 1.13 2.91 -1.54 0.18 115.95 117.78 2qx8 h TRP 169 Ca 0.00 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.05 2qx8 h TRP 169 Cb 0.66 0.24 -0.02 0.00 -0.51 0.00 0.00 29.16 29.54 2qx8 h TRP 169 CO 0.00 -0.25 0.23 -1.35 -1.03 0.00 0.00 178.44 176.03 2qx8 h PRO 170 N -0.17 0.53 0.00 2.65 0.11 -1.84 -0.44 132.00 132.84 2qx8 h PRO 170 Ca 0.14 -0.04 -0.02 0.00 0.11 0.00 0.00 66.00 66.19 2qx8 h PRO 170 Cb 0.38 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.37 2qx8 h PRO 170 CO -0.36 0.39 -0.12 -0.07 -0.21 0.00 0.00 178.00 177.63 2qx8 h LEU 171 N 0.54 0.00 -0.04 2.35 3.38 -1.65 -1.64 115.31 118.26 2qx8 h LEU 171 Ca 0.14 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.50 2qx8 h LEU 171 Cb -0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2qx8 h LEU 171 CO -0.03 0.87 -0.06 1.56 0.09 0.00 0.00 178.44 180.87 2qx8 h GLN 172 N -1.00 0.10 0.00 1.13 4.20 -0.67 -0.62 115.11 118.26 2qx8 h GLN 172 Ca -0.03 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.55 2qx8 h GLN 172 Cb 0.68 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.46 2qx8 h GLN 172 CO -0.02 0.63 -0.47 1.25 -0.67 0.00 0.00 178.83 179.55 2qx8 h HIS 173 N -0.41 0.00 0.00 2.96 2.76 -1.28 0.61 115.15 119.79 2qx8 h HIS 173 Ca 0.00 0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.13 2qx8 h HIS 173 Cb 0.62 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.57 2qx8 h HIS 173 CO 0.11 0.76 -0.19 0.78 -1.30 0.00 0.00 177.93 178.09 2qx8 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.13 -2.42 103.07 103.77 2qx8 h GLY 174 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.23 2qx8 h GLY 174 CO -0.06 0.00 -0.12 2.41 0.00 0.00 0.00 176.54 178.77 2qx8 n THR 175 N -3.61 0.62 0.10 4.70 -1.04 -0.64 -4.49 114.28 109.92 2qx8 n THR 175 Ca -0.01 0.23 -0.13 0.00 -2.04 0.00 0.00 64.05 62.09 2qx8 n THR 175 Cb 0.33 -1.44 -0.08 0.00 -1.82 0.00 0.00 70.33 67.31 2qx8 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qx8 h LEU 176 N -0.12 -0.21 -0.89 -4.42 3.38 -1.12 -2.13 115.31 109.80 2qx8 h LEU 176 Ca 0.00 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.69 2qx8 h LEU 176 Cb 0.12 0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2qx8 h LEU 176 CO 0.00 0.08 -0.12 -0.74 0.09 0.00 0.00 178.44 177.75 2qx8 h HIS 177 N -0.51 0.75 -0.82 1.13 2.76 -0.95 -1.95 115.15 115.56 2qx8 h HIS 177 Ca -0.03 -0.13 0.09 0.00 -2.20 0.00 0.00 60.37 58.10 2qx8 h HIS 177 Cb 0.39 -0.19 -0.06 0.00 1.55 0.00 0.00 27.41 29.10 2qx8 h HIS 177 CO 0.01 0.78 0.53 0.35 -1.30 0.00 0.00 177.93 178.30 2qx8 h PHE 178 N 0.62 0.84 -0.06 5.26 3.57 -1.29 0.17 116.94 126.05 2qx8 h PHE 178 Ca 0.11 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.63 2qx8 h PHE 178 Cb 0.57 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 39.04 2qx8 h PHE 178 CO 0.03 0.40 0.00 0.00 -2.23 0.00 0.00 178.31 176.51 2qx8 n GLY 180 N 0.97 0.59 3.75 0.00 0.00 0.04 -0.46 105.19 110.09 2qx8 n GLY 180 Ca 0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.82 2qx8 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qx8 s PHE 181 N -2.28 2.33 -0.10 1.61 0.08 -0.80 -3.58 117.98 115.25 2qx8 s PHE 181 Ca 0.00 1.52 -0.18 0.00 0.12 0.00 0.00 56.93 58.39 2qx8 s PHE 181 Cb 0.00 -3.51 -0.04 0.00 -0.57 0.00 0.00 43.02 38.90 2qx8 s PHE 181 CO 0.00 -2.32 0.48 0.15 -0.10 0.00 0.00 175.22 173.42 2qx8 s LYS 182 N -3.38 4.30 -0.26 0.44 -0.14 -0.19 -4.29 119.74 116.23 2qx8 s LYS 182 Ca 0.78 0.46 -0.09 0.00 -1.36 0.00 0.00 55.97 55.75 2qx8 s LYS 182 Cb -0.31 -3.41 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 2qx8 s LYS 182 CO 0.35 0.23 0.14 0.08 -0.76 0.00 0.00 175.35 175.38 2qx8 s VAL 183 N 0.39 4.97 0.55 3.17 1.01 -1.26 -1.20 120.40 128.03 2qx8 s VAL 183 Ca 0.26 0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.18 2qx8 s VAL 183 Cb -0.15 -3.33 -0.05 0.00 0.00 0.00 0.00 36.38 32.84 2qx8 s VAL 183 CO 0.11 0.31 0.95 -0.76 0.00 0.00 0.00 175.10 175.71 2qx8 s LEU 184 N 1.48 3.45 0.29 3.92 1.43 -0.00 -0.11 118.68 129.13 2qx8 s LEU 184 Ca 0.06 1.34 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 2qx8 s LEU 184 Cb -0.15 -4.33 -0.13 0.00 0.03 0.00 0.00 46.19 41.61 2qx8 s LEU 184 CO 0.07 -0.71 1.35 0.00 0.23 0.00 0.00 176.35 177.30 2qx8 n ALA 185 N -2.25 1.25 -1.68 4.21 0.00 -1.26 -4.63 120.51 116.15 2qx8 n ALA 185 Ca 0.05 0.39 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2qx8 n ALA 185 Cb 0.54 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 17.76 2qx8 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qx8 s PRO 186 N -1.12 2.85 -0.32 0.00 0.04 -1.26 -4.73 135.00 130.45 2qx8 s PRO 186 Ca 0.62 1.78 -0.10 0.00 0.04 0.00 0.00 61.00 63.34 2qx8 s PRO 186 Cb -0.60 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.02 2qx8 s PRO 186 CO 0.56 -1.29 0.16 -1.14 0.04 0.00 0.00 177.00 175.32 2qx8 s GLN 187 N -3.47 3.23 -0.20 4.56 2.00 0.14 -5.00 119.66 120.91 2qx8 s GLN 187 Ca 0.76 -0.79 0.01 0.00 -2.00 0.00 0.00 55.36 53.34 2qx8 s GLN 187 Cb -0.29 -3.58 0.03 0.00 0.80 0.00 0.00 33.01 29.96 2qx8 s GLN 187 CO 0.35 -0.47 -0.16 0.42 -0.50 0.00 0.00 175.29 174.93 2qx8 s ILE 188 N 1.59 2.23 -0.46 -2.34 1.01 -1.26 -0.54 121.20 121.43 2qx8 s ILE 188 Ca 0.04 -1.06 -0.13 0.00 0.00 0.00 0.00 60.65 59.50 2qx8 s ILE 188 Cb -0.17 -2.04 0.09 0.00 0.01 0.00 0.00 42.46 40.34 2qx8 s ILE 188 CO 0.06 0.39 0.36 -0.44 0.00 0.00 0.00 174.94 175.31 2qx8 s SER 189 N 1.27 5.93 0.09 3.58 0.01 -0.06 -5.00 113.70 119.52 2qx8 s SER 189 Ca 0.02 -1.53 -0.30 0.00 1.31 0.00 0.00 55.95 55.45 2qx8 s SER 189 Cb -0.15 -2.10 -0.05 0.00 0.21 0.00 0.00 66.02 63.93 2qx8 s SER 189 CO -0.10 -0.65 1.01 -0.36 0.41 0.00 0.00 173.24 173.55 2qx8 s PHE 190 N 1.53 3.72 -1.36 2.43 0.08 -1.26 -2.37 117.98 120.74 2qx8 s PHE 190 Ca 0.04 1.71 -0.20 0.00 0.12 0.00 0.00 56.93 58.59 2qx8 s PHE 190 Cb -0.25 -3.13 0.03 0.00 -0.57 0.00 0.00 43.02 39.10 2qx8 s PHE 190 CO 0.04 -0.09 0.38 0.00 -0.10 0.00 0.00 175.22 175.45 2qx8 n ALA 191 N 3.04 -2.35 0.20 5.36 0.00 -0.78 -4.86 120.51 121.12 2qx8 n ALA 191 Ca 0.04 -0.53 0.04 0.00 0.00 0.00 0.00 53.44 52.99 2qx8 n ALA 191 Cb 0.49 -1.78 0.47 0.00 0.00 0.00 0.00 19.45 18.62 2qx8 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qx8 h PRO 192 N -2.30 0.04 -0.79 0.00 0.13 -1.78 -2.74 132.00 124.57 2qx8 h PRO 192 Ca -0.69 -0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.44 2qx8 h PRO 192 Cb 1.40 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.49 2qx8 h PRO 192 CO 0.60 0.24 0.52 0.93 -0.23 0.00 0.00 178.00 180.06 2qx8 h GLU 193 N 0.04 1.01 -0.20 0.86 5.08 -1.89 -2.55 114.58 116.94 2qx8 h GLU 193 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2qx8 h GLU 193 Cb 0.37 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2qx8 h GLU 193 CO 0.03 0.67 0.00 0.44 -1.00 0.00 0.00 179.01 179.14 2qx8 n ILE 194 N -4.43 0.23 -1.90 3.13 -5.35 -1.13 -4.95 119.36 104.97 2qx8 n ILE 194 Ca 0.09 -0.62 -0.30 0.00 -0.27 0.00 0.00 62.75 61.65 2qx8 n ILE 194 Cb 0.05 1.27 0.04 0.00 -1.74 0.00 0.00 39.64 39.26 2qx8 n ILE 194 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2qx8 s ALA 195 N -1.77 2.94 0.80 -1.28 0.00 -0.96 -5.06 121.76 116.43 2qx8 s ALA 195 Ca 0.33 -0.32 -0.12 0.00 0.00 0.00 0.00 51.96 51.86 2qx8 s ALA 195 Cb 0.21 -3.02 0.07 0.00 0.00 0.00 0.00 23.12 20.38 2qx8 s ALA 195 CO 0.31 -1.06 1.16 -1.54 0.00 0.00 0.00 175.76 174.63 2qx8 s SER 196 N -4.33 4.61 0.25 0.00 1.04 -1.26 -4.85 113.70 109.15 2qx8 s SER 196 Ca 0.58 0.85 -0.04 0.00 0.48 0.00 0.00 55.95 57.82 2qx8 s SER 196 Cb -0.11 -1.40 0.29 0.00 0.10 0.00 0.00 66.02 64.90 2qx8 s SER 196 CO 0.52 -1.85 1.79 -0.33 0.98 0.00 0.00 173.24 174.36 2qx8 h GLU 197 N -1.01 0.99 -0.40 4.02 4.39 -1.97 -0.63 114.58 119.96 2qx8 h GLU 197 Ca -0.46 -0.20 -0.09 0.00 0.34 0.00 0.00 59.36 58.95 2qx8 h GLU 197 Cb 1.32 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 29.80 2qx8 h GLU 197 CO 0.65 0.85 -0.13 1.49 -1.16 0.00 0.00 179.01 180.72 2qx8 h GLU 198 N 0.95 0.72 -0.31 2.33 4.81 -1.99 -0.21 114.58 120.88 2qx8 h GLU 198 Ca 0.21 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 59.06 2qx8 h GLU 198 Cb 0.29 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 2qx8 h GLU 198 CO -0.01 0.82 -0.36 0.93 -0.73 0.00 0.00 179.01 179.66 2qx8 h GLU 199 N 0.65 0.71 -0.30 1.92 5.08 -1.80 -0.26 114.58 120.58 2qx8 h GLU 199 Ca 0.11 -0.35 -0.08 0.00 -1.00 0.00 0.00 59.36 58.04 2qx8 h GLU 199 Cb 0.59 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 2qx8 h GLU 199 CO 0.04 0.96 -0.11 0.00 -1.00 0.00 0.00 179.01 178.90 2qx8 h ARG 200 N 0.59 0.61 -0.55 2.33 3.08 -0.76 -0.03 114.38 119.67 2qx8 h ARG 200 Ca 0.06 -0.25 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2qx8 h ARG 200 Cb 0.89 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 2qx8 h ARG 200 CO 0.08 0.82 0.28 0.87 -1.07 0.00 0.00 179.97 180.95 2qx8 h LYS 201 N 0.37 0.75 -0.51 0.04 1.57 -0.95 -1.43 116.57 116.41 2qx8 h LYS 201 Ca 0.07 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 58.71 2qx8 h LYS 201 Cb 0.62 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2qx8 h LYS 201 CO 0.04 0.57 0.09 0.78 -0.57 0.00 0.00 179.45 180.36 2qx8 h GLY 202 N 0.84 0.91 1.59 3.86 0.00 -0.60 -0.66 103.07 109.02 2qx8 h GLY 202 Ca 0.19 -0.60 -0.08 0.00 0.00 0.00 0.00 47.33 46.84 2qx8 h GLY 202 CO -0.03 0.56 -0.18 -0.33 0.00 0.00 0.00 176.54 176.55 2qx8 h MET 203 N 0.73 0.49 -0.23 4.80 2.86 -0.25 -0.70 114.93 122.62 2qx8 h MET 203 Ca 0.16 -0.16 -0.12 0.00 -2.06 0.00 0.00 59.70 57.51 2qx8 h MET 203 Cb 0.39 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 2qx8 h MET 203 CO 0.01 0.65 -0.34 0.28 1.06 0.00 0.00 176.91 178.57 2qx8 h VAL 204 N 0.44 1.32 -0.57 -2.22 2.07 -1.09 -2.67 116.25 113.53 2qx8 h VAL 204 Ca 0.07 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 66.01 2qx8 h VAL 204 Cb 0.57 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 32.07 2qx8 h VAL 204 CO 0.04 0.48 0.19 0.00 0.02 0.00 0.00 177.57 178.30 2qx8 h ALA 205 N 0.64 1.26 -0.55 1.67 0.00 -0.91 -0.72 119.26 120.65 2qx8 h ALA 205 Ca 0.02 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 2qx8 h ALA 205 Cb 0.93 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 2qx8 h ALA 205 CO 0.08 0.53 0.06 0.00 0.00 0.00 0.00 179.25 179.92 2qx8 h ALA 206 N 1.38 1.07 -0.10 0.00 0.00 -1.05 0.11 119.26 120.67 2qx8 h ALA 206 Ca 0.19 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2qx8 h ALA 206 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qx8 h ALA 206 CO -0.01 0.60 -0.04 2.35 0.00 0.00 0.00 179.25 182.14 2qx8 h TRP 207 N 0.85 0.23 -0.41 0.00 -0.00 -1.10 -0.49 115.95 115.03 2qx8 h TRP 207 Ca 0.17 -0.06 0.05 0.00 -0.00 0.00 0.00 58.89 59.06 2qx8 h TRP 207 Cb 0.41 -0.05 -0.05 0.00 -0.00 0.00 0.00 29.16 29.47 2qx8 h TRP 207 CO 0.02 0.55 0.15 1.03 -0.00 0.00 0.00 178.44 180.19 2qx8 h SER 208 N -0.15 0.15 -0.72 2.65 0.87 -0.84 -1.16 113.55 114.35 2qx8 h SER 208 Ca 0.02 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.60 2qx8 h SER 208 Cb 0.48 0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2qx8 h SER 208 CO 0.01 0.12 0.33 1.56 -0.53 0.00 0.00 176.83 178.32 2qx8 h GLN 209 N 0.31 1.05 -0.85 2.24 1.08 -0.75 -2.25 115.11 115.95 2qx8 h GLN 209 Ca 0.19 -0.17 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2qx8 h GLN 209 Cb 0.18 -0.18 -0.04 0.00 -0.05 0.00 0.00 27.48 27.38 2qx8 h GLN 209 CO -0.20 0.84 0.49 -0.09 -0.95 0.00 0.00 178.83 178.92 2qx8 h ARG 210 N 1.02 1.17 0.00 1.46 2.43 -0.65 -2.42 114.38 117.39 2qx8 h ARG 210 Ca 0.25 -0.12 -0.03 0.00 -0.81 0.00 0.00 59.98 59.27 2qx8 h ARG 210 Cb 0.15 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.46 2qx8 h ARG 210 CO -0.03 0.84 -0.12 -0.07 -1.51 0.00 0.00 179.97 179.08 2qx8 h LEU 211 N 1.17 0.00 -1.70 3.80 3.38 -0.64 -1.89 115.31 119.43 2qx8 h LEU 211 Ca 0.30 0.00 0.12 0.00 0.09 0.00 0.00 57.88 58.39 2qx8 h LEU 211 Cb -0.01 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2qx8 h LEU 211 CO -0.05 0.12 0.41 1.56 0.09 0.00 0.00 178.44 180.57 2qx8 h GLN 212 N 0.00 0.32 -0.02 1.13 4.20 -1.04 -2.39 115.11 117.31 2qx8 h GLN 212 Ca -0.00 -0.02 -0.01 0.00 0.06 0.00 0.00 58.65 58.68 2qx8 h GLN 212 Cb 0.28 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.98 2qx8 h GLN 212 CO 0.02 0.21 -0.32 0.25 -0.67 0.00 0.00 178.83 178.32 2qx8 n THR 213 N -4.46 2.12 0.24 -0.54 -2.24 -0.74 -4.80 114.28 103.87 2qx8 n THR 213 Ca 0.10 -2.90 0.07 0.00 -2.27 0.00 0.00 64.05 59.05 2qx8 n THR 213 Cb 0.44 -0.24 0.58 0.00 -2.10 0.00 0.00 70.33 69.00 2qx8 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qx8 h ILE 214 N 0.69 1.06 0.00 2.28 6.09 -1.13 -1.82 117.51 124.68 2qx8 h ILE 214 Ca 0.01 -0.26 0.00 0.00 -1.37 0.00 0.00 64.86 63.24 2qx8 h ILE 214 Cb 1.03 1.12 0.00 0.00 0.47 0.00 0.00 36.82 39.44 2qx8 h ILE 214 CO 0.02 0.08 0.00 0.79 -3.07 0.00 0.00 178.15 175.96 2qx8 n TRP 215 N -4.45 0.00 1.05 2.19 7.02 -1.26 -2.30 117.44 119.69 2qx8 n TRP 215 Ca -0.03 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.57 2qx8 n TRP 215 Cb 0.15 -0.40 0.11 0.00 -2.42 0.00 0.00 31.31 28.76 2qx8 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qx8 n LYS 216 N -1.40 0.41 -2.14 -0.99 5.02 -0.69 -4.97 118.16 113.40 2qx8 n LYS 216 Ca 0.09 -0.30 -0.33 0.00 -2.02 0.00 0.00 58.31 55.75 2qx8 n LYS 216 Cb 0.26 -1.49 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 2qx8 n LYS 216 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 2qx8 s GLU 217 N -2.79 3.38 0.13 1.97 2.02 -0.97 -5.06 118.70 117.38 2qx8 s GLU 217 Ca 0.14 1.28 0.03 0.00 0.02 0.00 0.00 54.97 56.45 2qx8 s GLU 217 Cb 0.18 -2.04 -0.04 0.00 0.10 0.00 0.00 34.13 32.33 2qx8 s GLU 217 CO 0.69 -0.77 0.17 -1.21 0.02 0.00 0.00 175.26 174.17 2qx8 s GLU 218 N -3.84 3.10 0.81 1.61 0.41 -1.26 -5.11 118.70 114.43 2qx8 s GLU 218 Ca 0.65 -0.72 -0.12 0.00 -0.41 0.00 0.00 54.97 54.38 2qx8 s GLU 218 Cb -0.17 -2.79 0.08 0.00 -1.78 0.00 0.00 34.13 29.47 2qx8 s GLU 218 CO 0.33 0.52 1.14 -1.25 -0.49 0.00 0.00 175.26 175.51 2qx8 s PRO 219 N -2.95 1.96 0.51 0.39 0.04 -1.26 -4.67 135.00 129.02 2qx8 s PRO 219 Ca 0.32 0.33 -0.10 0.00 0.04 0.00 0.00 61.00 61.59 2qx8 s PRO 219 Cb -0.11 -1.93 -0.05 0.00 0.04 0.00 0.00 34.50 32.45 2qx8 s PRO 219 CO 0.25 -1.64 0.89 0.96 0.04 0.00 0.00 177.00 177.50 2qx8 s ILE 220 N -3.37 4.75 -0.50 0.56 -4.36 0.84 -4.95 121.20 114.17 2qx8 s ILE 220 Ca 0.61 0.69 -0.28 0.00 -0.26 0.00 0.00 60.65 61.41 2qx8 s ILE 220 Cb -0.13 -3.81 0.03 0.00 1.25 0.00 0.00 42.46 39.80 2qx8 s ILE 220 CO 0.52 -0.83 1.09 -2.16 0.24 0.00 0.00 174.94 173.79 2qx8 s PRO 221 N -4.54 3.61 -1.31 0.37 0.04 -1.26 -4.68 135.00 127.24 2qx8 s PRO 221 Ca 0.53 0.36 -0.17 0.00 0.04 0.00 0.00 61.00 61.75 2qx8 s PRO 221 Cb -0.10 -3.94 0.07 0.00 0.04 0.00 0.00 34.50 30.57 2qx8 s PRO 221 CO 0.42 -1.41 1.76 0.00 0.04 0.00 0.00 177.00 177.81 2qx8 s THR 223 N 3.94 1.02 0.24 0.00 -4.23 -1.26 -4.95 115.64 110.41 2qx8 s THR 223 Ca 0.53 -2.01 -0.07 0.00 -1.18 0.00 0.00 61.69 58.96 2qx8 s THR 223 Cb 0.04 -2.67 0.23 0.00 1.34 0.00 0.00 72.50 71.44 2qx8 s THR 223 CO 0.06 -0.07 1.90 0.00 -0.54 0.00 0.00 174.62 175.97 2qx8 h ALA 224 N 2.25 1.20 -0.56 3.99 0.00 -1.99 -2.41 119.26 121.74 2qx8 h ALA 224 Ca -0.40 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 2qx8 h ALA 224 Cb 1.24 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.62 2qx8 h ALA 224 CO 0.66 0.64 0.31 1.25 0.00 0.00 0.00 179.25 182.12 2qx8 h HIS 225 N 1.30 0.76 -0.78 0.00 -0.00 -1.93 0.32 115.15 114.82 2qx8 h HIS 225 Ca 0.34 -0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.70 2qx8 h HIS 225 Cb -0.08 -0.24 -0.04 0.00 -0.00 0.00 0.00 27.41 27.05 2qx8 h HIS 225 CO 0.00 0.55 0.52 2.35 -0.00 0.00 0.00 177.93 181.35 2qx8 h TRP 226 N 0.75 0.98 0.07 5.26 7.01 -1.74 0.29 115.95 128.57 2qx8 h TRP 226 Ca 0.20 0.02 -0.26 0.00 2.11 0.00 0.00 58.89 60.96 2qx8 h TRP 226 Cb 0.04 -0.33 0.01 0.00 -2.10 0.00 0.00 29.16 26.78 2qx8 h TRP 226 CO -0.02 0.62 -1.12 0.45 -2.79 0.00 0.00 178.44 175.58 2qx8 h HIS 227 N 1.06 0.70 0.00 2.65 3.86 -1.05 -3.40 115.15 118.96 2qx8 h HIS 227 Ca 0.29 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 2qx8 h HIS 227 Cb -0.12 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.29 2qx8 h HIS 227 CO -0.02 1.28 -0.57 1.19 0.86 0.00 0.00 177.93 180.68 2qx8 n PHE 228 N -3.70 0.00 -2.85 2.45 3.72 0.11 -4.05 117.46 113.14 2qx8 n PHE 228 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 2qx8 n PHE 228 Cb 0.93 -0.02 0.00 0.00 -0.94 0.00 0.00 39.48 39.45 2qx8 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qx8 n GLY 229 N 1.70 -2.08 3.35 1.37 0.00 0.10 -5.01 105.19 104.62 2qx8 n GLY 229 Ca 0.00 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.45 2qx8 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14