#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qx4 n GLY 2 N 0.00 2.16 3.01 0.00 0.00 -1.26 -5.15 105.19 103.95 2qx4 n GLY 2 Ca 0.00 -1.86 -0.11 0.00 0.00 0.00 0.00 46.02 44.05 2qx4 n GLY 2 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx4 s LYS 3 N 4.06 0.38 -0.08 1.61 -0.14 -1.26 -5.06 119.74 119.24 2qx4 s LYS 3 Ca 0.00 -0.64 0.02 0.00 -1.36 0.00 0.00 55.97 53.99 2qx4 s LYS 3 Cb 0.00 -0.04 -0.02 0.00 -1.68 0.00 0.00 37.83 36.08 2qx4 s LYS 3 CO 0.00 -0.01 -0.12 0.15 -0.76 0.00 0.00 175.35 174.61 2qx4 s LYS 4 N -1.44 2.86 -0.03 1.68 1.02 -1.26 -0.83 119.74 121.73 2qx4 s LYS 4 Ca -0.13 -0.65 0.04 0.00 0.02 0.00 0.00 55.97 55.26 2qx4 s LYS 4 Cb -0.10 -2.53 -0.01 0.00 -0.52 0.00 0.00 37.83 34.68 2qx4 s LYS 4 CO -0.00 0.51 -0.16 0.08 -0.92 0.00 0.00 175.35 174.85 2qx4 s VAL 5 N -0.41 1.35 -0.14 3.17 1.01 0.36 0.70 120.40 126.45 2qx4 s VAL 5 Ca 0.05 -0.69 -0.00 0.00 0.00 0.00 0.00 61.98 61.34 2qx4 s VAL 5 Cb -0.12 -1.15 -0.01 0.00 0.00 0.00 0.00 36.38 35.09 2qx4 s VAL 5 CO 0.02 0.39 -0.13 -0.22 0.00 0.00 0.00 175.10 175.16 2qx4 s LEU 6 N -0.09 2.65 -0.25 3.92 2.96 -0.22 -1.35 118.68 126.30 2qx4 s LEU 6 Ca -0.00 -0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2qx4 s LEU 6 Cb -0.10 -1.60 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 2qx4 s LEU 6 CO 0.01 0.14 0.02 -0.63 -1.32 0.00 0.00 176.35 174.57 2qx4 s ILE 7 N 0.51 3.81 -0.37 6.68 1.01 0.30 -0.84 121.20 132.30 2qx4 s ILE 7 Ca -0.09 -0.45 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 2qx4 s ILE 7 Cb -0.16 -2.81 0.00 0.00 0.01 0.00 0.00 42.46 39.50 2qx4 s ILE 7 CO 0.04 0.31 0.26 -0.69 0.00 0.00 0.00 174.94 174.86 2qx4 s VAL 8 N 1.52 5.24 -0.13 2.92 1.01 0.61 -0.56 120.40 131.02 2qx4 s VAL 8 Ca 0.05 -0.44 -0.00 0.00 0.00 0.00 0.00 61.98 61.59 2qx4 s VAL 8 Cb -0.15 -3.80 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 2qx4 s VAL 8 CO 0.00 -0.15 -0.12 -0.47 0.00 0.00 0.00 175.10 174.37 2qx4 s TYR 9 N 1.70 2.83 -0.57 5.22 5.04 -0.16 -1.25 117.35 130.16 2qx4 s TYR 9 Ca 0.05 -0.55 0.05 0.00 -2.44 0.00 0.00 57.07 54.19 2qx4 s TYR 9 Cb -0.18 -1.84 0.19 0.00 0.35 0.00 0.00 41.96 40.48 2qx4 s TYR 9 CO 0.10 -0.15 0.50 0.00 -1.34 0.00 0.00 175.55 174.66 2qx4 n ALA 10 N 3.40 3.25 -3.15 3.97 0.00 -0.21 -1.63 120.51 126.15 2qx4 n ALA 10 Ca -0.18 -4.02 -0.13 0.00 0.00 0.00 0.00 53.44 49.11 2qx4 n ALA 10 Cb 0.53 -0.90 -0.11 0.00 0.00 0.00 0.00 19.45 18.97 2qx4 n ALA 10 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2qx4 s HIS 11 N -1.16 -0.24 -0.17 0.00 5.04 -1.26 -4.32 115.29 113.17 2qx4 s HIS 11 Ca 0.31 0.57 0.24 0.00 -1.54 0.00 0.00 55.06 54.65 2qx4 s HIS 11 Cb 0.04 0.08 0.64 0.00 0.04 0.00 0.00 32.58 33.38 2qx4 s HIS 11 CO -0.14 -0.17 1.71 1.96 -2.34 0.00 0.00 174.74 175.75 2qx4 h GLN 12 N 5.43 0.00 -5.00 2.88 7.50 -1.99 -3.44 115.11 120.49 2qx4 h GLN 12 Ca -0.27 0.00 -0.67 0.00 0.50 0.00 0.00 58.65 58.22 2qx4 h GLN 12 Cb 1.19 0.00 -0.33 0.00 0.05 0.00 0.00 27.48 28.39 2qx4 h GLN 12 CO 0.36 0.12 -0.80 -2.00 -1.50 0.00 0.00 178.83 175.00 2qx4 s GLU 13 N -3.35 2.98 0.37 1.46 2.56 -1.26 -5.01 118.70 116.45 2qx4 s GLU 13 Ca 0.04 -0.86 0.08 0.00 0.00 0.00 0.00 54.97 54.23 2qx4 s GLU 13 Cb 0.07 -2.78 0.81 0.00 2.00 0.00 0.00 34.13 34.23 2qx4 s GLU 13 CO 0.65 -0.28 1.95 -1.35 -0.56 0.00 0.00 175.26 175.67 2qx4 h PRO 14 N 7.98 0.66 -0.01 4.30 0.11 -1.98 -1.77 132.00 141.29 2qx4 h PRO 14 Ca -0.40 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2qx4 h PRO 14 Cb 1.13 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 32.09 2qx4 h PRO 14 CO 0.60 0.44 0.00 1.63 -0.21 0.00 0.00 178.00 180.46 2qx4 n LYS 15 N -4.49 1.09 -1.38 1.05 5.02 -1.26 -4.34 118.16 113.85 2qx4 n LYS 15 Ca 0.11 -0.13 -0.29 0.00 -2.02 0.00 0.00 58.31 55.98 2qx4 n LYS 15 Cb 0.29 -1.40 0.14 0.00 -0.02 0.00 0.00 35.03 34.04 2qx4 n LYS 15 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 2qx4 s SER 16 N -1.78 3.43 0.25 4.39 1.04 -0.66 -4.82 113.70 115.53 2qx4 s SER 16 Ca 0.37 1.18 -0.04 0.00 0.48 0.00 0.00 55.95 57.94 2qx4 s SER 16 Cb 0.18 -1.83 0.29 0.00 0.10 0.00 0.00 66.02 64.76 2qx4 s SER 16 CO 0.29 -2.63 1.80 0.15 0.98 0.00 0.00 173.24 173.84 2qx4 h PHE 17 N -1.55 1.03 -0.63 5.02 3.57 -1.90 0.58 116.94 123.06 2qx4 h PHE 17 Ca -0.51 -0.09 -0.05 0.00 3.53 0.00 0.00 57.97 60.85 2qx4 h PHE 17 Cb 1.31 -0.30 -0.03 0.00 2.79 0.00 0.00 35.95 39.72 2qx4 h PHE 17 CO 0.35 0.81 0.19 -0.91 -2.23 0.00 0.00 178.31 176.52 2qx4 h ASN 18 N 0.97 0.92 -0.65 0.41 2.35 -1.92 -0.90 115.58 116.77 2qx4 h ASN 18 Ca 0.22 -0.21 0.03 0.00 -0.55 0.00 0.00 56.30 55.79 2qx4 h ASN 18 Cb 0.26 -0.24 -0.04 0.00 0.05 0.00 0.00 38.32 38.35 2qx4 h ASN 18 CO -0.01 0.88 0.39 1.23 -1.65 0.00 0.00 177.43 178.28 2qx4 h GLY 19 N 0.90 0.93 1.04 2.83 0.00 -1.55 0.92 103.07 108.14 2qx4 h GLY 19 Ca 0.20 -0.29 -0.06 0.00 0.00 0.00 0.00 47.33 47.18 2qx4 h GLY 19 CO -0.01 0.24 0.19 1.76 0.00 0.00 0.00 176.54 178.72 2qx4 h SER 20 N 0.76 0.99 -0.71 0.19 0.02 -0.49 0.49 113.55 114.81 2qx4 h SER 20 Ca 0.26 -0.22 -0.07 0.00 -0.84 0.00 0.00 61.79 60.93 2qx4 h SER 20 Cb 0.05 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 2qx4 h SER 20 CO -0.12 0.95 0.18 -0.07 -1.14 0.00 0.00 176.83 176.63 2qx4 h LEU 21 N 0.98 1.08 -0.38 5.07 3.38 -0.66 -0.64 115.31 124.15 2qx4 h LEU 21 Ca 0.21 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2qx4 h LEU 21 Cb 0.33 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2qx4 h LEU 21 CO -0.00 1.03 0.04 0.50 0.09 0.00 0.00 178.44 180.10 2qx4 h LYS 22 N 1.08 0.65 -0.69 1.13 3.11 -0.54 -2.60 116.57 118.72 2qx4 h LYS 22 Ca 0.23 -0.19 -0.05 0.00 -2.81 0.00 0.00 60.65 57.83 2qx4 h LYS 22 Cb 0.37 -0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 31.50 2qx4 h LYS 22 CO 0.00 0.72 0.24 -0.91 -2.81 0.00 0.00 179.45 176.69 2qx4 h ASN 23 N 0.48 0.96 -0.11 4.20 2.35 -0.63 -1.40 115.58 121.43 2qx4 h ASN 23 Ca 0.11 -0.16 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 2qx4 h ASN 23 Cb 0.41 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.51 2qx4 h ASN 23 CO 0.01 0.88 -0.21 0.58 -1.65 0.00 0.00 177.43 177.04 2qx4 h VAL 24 N 1.01 1.26 -0.26 2.81 2.07 -1.09 0.28 116.25 122.32 2qx4 h VAL 24 Ca 0.23 -1.20 -0.07 0.00 0.82 0.00 0.00 66.70 66.47 2qx4 h VAL 24 Cb 0.25 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2qx4 h VAL 24 CO -0.01 0.39 -0.13 0.00 0.02 0.00 0.00 177.57 177.84 2qx4 h ALA 25 N 1.31 0.37 -0.15 1.67 0.00 -1.05 0.68 119.26 122.09 2qx4 h ALA 25 Ca 0.07 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 2qx4 h ALA 25 Cb 0.62 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2qx4 h ALA 25 CO 0.04 0.24 0.09 0.28 0.00 0.00 0.00 179.25 179.90 2qx4 h VAL 26 N 0.28 1.07 0.02 0.00 2.07 -1.03 -0.81 116.25 117.85 2qx4 h VAL 26 Ca 0.06 -0.18 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2qx4 h VAL 26 Cb 0.64 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 2qx4 h VAL 26 CO 0.04 0.07 -0.11 0.44 0.02 0.00 0.00 177.57 178.03 2qx4 h ASP 27 N 0.16 -0.31 -0.36 0.57 3.32 -0.72 0.78 116.42 119.86 2qx4 h ASP 27 Ca 0.05 0.04 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2qx4 h ASP 27 Cb 0.03 0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2qx4 h ASP 27 CO -0.01 -0.16 -0.22 -0.08 -1.72 0.00 0.00 179.24 177.05 2qx4 h GLU 28 N -0.20 0.78 -0.14 3.56 4.57 -0.85 -0.81 114.58 121.50 2qx4 h GLU 28 Ca 0.03 -0.36 -0.14 0.00 -1.18 0.00 0.00 59.36 57.72 2qx4 h GLU 28 Cb 0.24 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.80 2qx4 h GLU 28 CO -0.09 0.99 -0.50 -0.07 -1.18 0.00 0.00 179.01 178.15 2qx4 h LEU 29 N 0.57 0.40 -0.43 1.64 3.38 -1.09 -2.15 115.31 117.62 2qx4 h LEU 29 Ca 0.07 -0.20 -0.08 0.00 0.09 0.00 0.00 57.88 57.77 2qx4 h LEU 29 Cb 0.77 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.40 2qx4 h LEU 29 CO 0.06 0.83 -0.04 -1.28 0.09 0.00 0.00 178.44 178.11 2qx4 h SER 30 N 0.29 0.78 -0.63 -0.43 0.87 -0.77 -2.05 113.55 111.61 2qx4 h SER 30 Ca 0.01 -0.33 0.03 0.00 -1.23 0.00 0.00 61.79 60.27 2qx4 h SER 30 Cb 0.99 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.70 2qx4 h SER 30 CO 0.08 0.93 0.42 -0.09 -0.53 0.00 0.00 176.83 177.64 2qx4 h ARG 31 N 0.62 0.75 0.00 2.24 2.43 -0.89 -0.99 114.38 118.55 2qx4 h ARG 31 Ca 0.12 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2qx4 h ARG 31 Cb 0.55 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.93 2qx4 h ARG 31 CO 0.03 0.50 0.00 1.04 -1.51 0.00 0.00 179.97 180.03 2qx4 n GLN 32 N -4.46 0.18 -0.06 0.20 6.02 -0.83 -4.88 117.38 113.55 2qx4 n GLN 32 Ca 0.07 0.37 0.00 0.00 -0.01 0.00 0.00 57.00 57.43 2qx4 n GLN 32 Cb 0.11 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 29.56 2qx4 n GLN 32 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2qx4 n GLY 33 N 0.19 0.71 3.78 1.08 0.00 -0.38 -5.08 105.19 105.50 2qx4 n GLY 33 Ca 0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2qx4 n GLY 33 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qx4 s THR 35 N -2.48 5.02 -0.06 0.00 2.01 -0.01 -4.53 115.64 115.59 2qx4 s THR 35 Ca 0.65 1.31 0.04 0.00 0.31 0.00 0.00 61.69 64.00 2qx4 s THR 35 Cb -0.19 -3.99 0.00 0.00 0.01 0.00 0.00 72.50 68.33 2qx4 s THR 35 CO 0.44 0.15 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.66 2qx4 s VAL 36 N 1.57 1.43 -0.01 3.82 1.01 -1.26 -0.49 120.40 126.47 2qx4 s VAL 36 Ca 0.32 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.66 2qx4 s VAL 36 Cb -0.16 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 2qx4 s VAL 36 CO 0.13 0.42 -0.15 -0.89 0.00 0.00 0.00 175.10 174.61 2qx4 s THR 37 N 0.23 1.15 -0.09 3.92 2.01 -0.46 -5.00 115.64 117.41 2qx4 s THR 37 Ca -0.08 -0.62 0.03 0.00 0.31 0.00 0.00 61.69 61.33 2qx4 s THR 37 Cb -0.13 -0.96 0.01 0.00 0.01 0.00 0.00 72.50 71.43 2qx4 s THR 37 CO 0.03 0.32 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.41 2qx4 s VAL 38 N -0.33 1.69 -0.50 3.82 1.01 -1.26 -0.54 120.40 124.29 2qx4 s VAL 38 Ca 0.05 -0.80 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2qx4 s VAL 38 Cb -0.06 -1.49 0.13 0.00 0.00 0.00 0.00 36.38 34.96 2qx4 s VAL 38 CO -0.01 0.48 0.39 -0.44 0.00 0.00 0.00 175.10 175.52 2qx4 s SER 39 N 0.53 5.81 -0.91 3.32 0.01 0.28 -4.96 113.70 117.78 2qx4 s SER 39 Ca -0.16 -1.93 -0.20 0.00 1.31 0.00 0.00 55.95 54.97 2qx4 s SER 39 Cb -0.17 -2.05 0.10 0.00 0.21 0.00 0.00 66.02 64.11 2qx4 s SER 39 CO 0.06 -0.72 1.18 -0.62 0.41 0.00 0.00 173.24 173.55 2qx4 s ASP 40 N 2.80 6.53 0.23 2.44 -1.08 -1.26 -0.99 116.67 125.34 2qx4 s ASP 40 Ca 0.06 -1.75 -0.07 0.00 -0.52 0.00 0.00 52.55 50.27 2qx4 s ASP 40 Cb -0.26 -2.44 0.30 0.00 -1.46 0.00 0.00 42.92 39.05 2qx4 s ASP 40 CO -0.00 -1.23 1.83 -0.07 0.52 0.00 0.00 175.17 176.22 2qx4 h LEU 41 N 11.11 0.71 -0.63 -1.34 3.38 -1.68 -1.15 115.31 125.72 2qx4 h LEU 41 Ca 0.10 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.95 2qx4 h LEU 41 Cb 1.03 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.65 2qx4 h LEU 41 CO 1.19 0.45 -0.48 1.88 0.09 0.00 0.00 178.44 181.57 2qx4 h TYR 42 N 0.85 0.61 0.00 1.13 0.05 -1.84 -1.12 116.97 116.64 2qx4 h TYR 42 Ca 0.35 -0.20 -0.07 0.00 0.05 0.00 0.00 58.73 58.86 2qx4 h TYR 42 Cb 0.19 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.80 2qx4 h TYR 42 CO -0.05 0.89 -0.35 0.00 -1.05 0.00 0.00 178.16 177.59 2qx4 h ALA 43 N 1.08 1.34 -0.00 3.88 0.00 -1.74 -1.87 119.26 121.96 2qx4 h ALA 43 Ca 0.02 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2qx4 h ALA 43 Cb 0.99 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.73 2qx4 h ALA 43 CO 0.09 0.44 -0.11 -1.33 0.00 0.00 0.00 179.25 178.34 2qx4 n MET 44 N -4.01 0.67 -3.98 0.00 2.81 -0.49 -4.90 117.12 107.21 2qx4 n MET 44 Ca -0.02 -0.22 -0.31 0.00 -1.81 0.00 0.00 57.70 55.34 2qx4 n MET 44 Cb 0.40 -1.50 0.01 0.00 -0.71 0.00 0.00 33.22 31.42 2qx4 n MET 44 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2qx4 n ASN 45 N -0.97 -3.69 -4.65 7.83 5.15 -0.70 -4.80 115.26 113.42 2qx4 n ASN 45 Ca 0.14 -0.86 -0.47 0.00 -0.60 0.00 0.00 54.58 52.79 2qx4 n ASN 45 Cb 0.28 -3.53 -0.05 0.00 -0.53 0.00 0.00 39.78 35.95 2qx4 n ASN 45 CO 0.00 0.00 0.00 0.33 1.40 0.00 0.00 177.26 178.99 2qx4 n PHE 46 N -4.55 2.11 -2.23 1.20 7.35 -0.49 -4.90 117.46 115.95 2qx4 n PHE 46 Ca -0.01 0.35 -0.43 0.00 -0.76 0.00 0.00 57.45 56.60 2qx4 n PHE 46 Cb 0.54 -2.50 -0.02 0.00 0.35 0.00 0.00 39.48 37.85 2qx4 n PHE 46 CO 0.00 0.00 0.00 -2.00 -0.76 0.00 0.00 176.76 174.00 2qx4 s GLU 47 N 0.81 3.95 0.19 -4.13 2.56 -1.26 -4.93 118.70 115.90 2qx4 s GLU 47 Ca 0.80 1.62 0.23 0.00 0.00 0.00 0.00 54.97 57.62 2qx4 s GLU 47 Cb -0.74 -3.94 0.09 0.00 2.00 0.00 0.00 34.13 31.53 2qx4 s GLU 47 CO 0.40 -1.09 1.13 -1.35 -0.56 0.00 0.00 175.26 173.78 2qx4 h PRO 48 N 9.78 0.00 -6.64 4.30 0.11 -1.89 -3.43 132.00 134.23 2qx4 h PRO 48 Ca -0.31 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.28 2qx4 h PRO 48 Cb 1.13 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.24 2qx4 h PRO 48 CO 1.00 0.00 0.44 1.03 -0.21 0.00 0.00 178.00 180.26 2qx4 s ARG 49 N -3.31 4.64 -0.60 1.05 0.52 -1.26 -4.35 118.95 115.64 2qx4 s ARG 49 Ca 0.01 1.63 -0.23 0.00 -0.52 0.00 0.00 55.73 56.62 2qx4 s ARG 49 Cb 0.10 -3.30 0.05 0.00 0.52 0.00 0.00 34.95 32.32 2qx4 s ARG 49 CO 0.77 0.14 0.95 0.00 0.02 0.00 0.00 175.30 177.18 2qx4 s ALA 50 N -0.23 3.13 0.32 2.13 0.00 -1.26 -4.99 121.76 120.87 2qx4 s ALA 50 Ca 0.48 -1.52 0.04 0.00 0.00 0.00 0.00 51.96 50.96 2qx4 s ALA 50 Cb -0.28 -3.79 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 2qx4 s ALA 50 CO 0.33 -2.57 0.16 0.95 0.00 0.00 0.00 175.76 174.63 2qx4 s THR 51 N 4.02 0.37 -0.84 0.00 -4.23 -1.26 -5.02 115.64 108.67 2qx4 s THR 51 Ca 0.26 -2.00 0.14 0.00 -1.18 0.00 0.00 61.69 58.91 2qx4 s THR 51 Cb -0.14 -2.50 0.12 0.00 1.34 0.00 0.00 72.50 71.32 2qx4 s THR 51 CO 0.15 0.00 1.42 -0.90 -0.54 0.00 0.00 174.62 174.75 2qx4 n ASP 52 N -1.02 0.17 0.00 3.99 5.68 -1.26 -1.58 116.55 122.52 2qx4 n ASP 52 Ca 0.00 0.55 0.10 0.00 -0.50 0.00 0.00 54.79 54.94 2qx4 n ASP 52 Cb 0.65 -0.58 0.49 0.00 -1.14 0.00 0.00 41.12 40.54 2qx4 n ASP 52 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2qx4 n LYS 53 N -1.69 0.20 0.00 0.11 5.02 -1.26 -2.62 118.16 117.92 2qx4 n LYS 53 Ca 0.02 0.11 0.13 0.00 -2.02 0.00 0.00 58.31 56.55 2qx4 n LYS 53 Cb 0.13 -1.50 0.56 0.00 -0.02 0.00 0.00 35.03 34.20 2qx4 n LYS 53 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qx4 n ASP 54 N -1.35 0.00 -4.32 4.39 8.00 -0.61 -4.63 116.55 118.02 2qx4 n ASP 54 Ca 0.08 0.48 -0.33 0.00 0.71 0.00 0.00 54.79 55.74 2qx4 n ASP 54 Cb 0.19 -0.49 -0.15 0.00 -0.02 0.00 0.00 41.12 40.64 2qx4 n ASP 54 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2qx4 s ILE 55 N -2.99 2.70 0.17 0.53 1.09 -1.08 -0.96 121.20 120.67 2qx4 s ILE 55 Ca 0.13 -0.79 0.02 0.00 -1.10 0.00 0.00 60.65 58.91 2qx4 s ILE 55 Cb 0.17 -2.10 -0.04 0.00 -1.06 0.00 0.00 42.46 39.43 2qx4 s ILE 55 CO 0.47 0.54 0.33 0.42 -0.10 0.00 0.00 174.94 176.60 2qx4 s THR 56 N 0.35 5.28 0.00 2.92 -4.23 0.72 -4.91 115.64 115.76 2qx4 s THR 56 Ca -0.14 -0.60 0.00 0.00 -1.18 0.00 0.00 61.69 59.77 2qx4 s THR 56 Cb -0.17 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 69.92 2qx4 s THR 56 CO 0.07 -0.14 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 2qx4 n GLY 57 N -0.65 0.46 3.53 3.99 0.00 -1.26 -4.86 105.19 106.39 2qx4 n GLY 57 Ca -0.06 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 2qx4 n GLY 57 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qx4 s THR 58 N 0.00 3.28 0.53 2.61 -4.23 -1.26 -5.11 115.64 111.46 2qx4 s THR 58 Ca 0.00 -0.81 -0.19 0.00 -1.18 0.00 0.00 61.69 59.51 2qx4 s THR 58 Cb 0.00 -2.37 -0.06 0.00 1.34 0.00 0.00 72.50 71.41 2qx4 s THR 58 CO 0.00 0.47 1.07 -0.76 -0.54 0.00 0.00 174.62 174.86 2qx4 s LEU 59 N -1.13 3.73 0.41 4.79 1.43 -1.26 -4.95 118.68 121.69 2qx4 s LEU 59 Ca 0.14 1.97 0.18 0.00 -1.03 0.00 0.00 54.13 55.39 2qx4 s LEU 59 Cb -0.11 -4.56 0.89 0.00 0.03 0.00 0.00 46.19 42.44 2qx4 s LEU 59 CO 0.04 -1.02 1.86 0.77 0.23 0.00 0.00 176.35 178.24 2qx4 h SER 60 N 1.16 0.00 -1.92 2.29 4.64 -1.96 -3.36 113.55 114.39 2qx4 h SER 60 Ca -0.49 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 60.43 2qx4 h SER 60 Cb 1.23 0.00 -0.31 0.00 -0.31 0.00 0.00 62.40 63.02 2qx4 h SER 60 CO 0.58 0.31 -0.75 0.21 -0.87 0.00 0.00 176.83 176.31 2qx4 s ASN 61 N -6.64 0.80 0.00 4.97 3.84 -1.26 -5.00 114.94 111.65 2qx4 s ASN 61 Ca -0.02 -2.11 0.12 0.00 0.21 0.00 0.00 52.86 51.05 2qx4 s ASN 61 Cb 0.13 0.47 0.69 0.00 -0.55 0.00 0.00 41.25 42.00 2qx4 s ASN 61 CO 0.68 -0.19 1.17 -0.81 -2.79 0.00 0.00 177.10 175.17 2qx4 n PRO 62 N 3.53 0.61 -0.06 0.43 -0.04 -1.26 -3.16 135.00 135.05 2qx4 n PRO 62 Ca 0.19 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.43 2qx4 n PRO 62 Cb 0.48 -1.30 -0.12 0.00 -0.04 0.00 0.00 33.50 32.52 2qx4 n PRO 62 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2qx4 h GLU 63 N 0.00 0.09 -4.04 0.54 4.39 -1.96 -3.45 114.58 110.16 2qx4 h GLU 63 Ca 0.00 -0.16 -0.58 0.00 0.34 0.00 0.00 59.36 58.97 2qx4 h GLU 63 Cb 0.00 0.06 -0.39 0.00 -0.10 0.00 0.00 28.75 28.32 2qx4 h GLU 63 CO 0.00 1.07 -0.78 0.08 -1.16 0.00 0.00 179.01 178.23 2qx4 s VAL 64 N -2.42 1.16 -0.17 3.13 1.01 -1.19 -5.11 120.40 116.82 2qx4 s VAL 64 Ca -0.26 -1.03 -0.29 0.00 0.00 0.00 0.00 61.98 60.40 2qx4 s VAL 64 Cb 0.06 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.88 2qx4 s VAL 64 CO 0.66 -0.18 1.19 0.12 0.00 0.00 0.00 175.10 176.88 2qx4 s PHE 65 N 1.56 3.04 -0.29 5.22 5.36 -1.26 -4.80 117.98 126.80 2qx4 s PHE 65 Ca -0.03 1.17 0.03 0.00 -0.96 0.00 0.00 56.93 57.14 2qx4 s PHE 65 Cb -0.18 -3.42 0.08 0.00 -0.34 0.00 0.00 43.02 39.15 2qx4 s PHE 65 CO -0.08 -1.29 -0.03 1.21 -1.46 0.00 0.00 175.22 173.57 2qx4 s ASN 66 N 1.68 4.51 0.17 6.13 3.84 -1.26 -5.03 114.94 124.99 2qx4 s ASN 66 Ca 0.52 -1.69 -0.15 0.00 0.21 0.00 0.00 52.86 51.75 2qx4 s ASN 66 Cb -0.20 -1.53 0.13 0.00 -0.55 0.00 0.00 41.25 39.11 2qx4 s ASN 66 CO 0.13 -0.28 1.72 0.22 -2.79 0.00 0.00 177.10 176.10 2qx4 h TYR 67 N 7.73 0.10 -0.28 0.43 3.20 -1.97 -0.13 116.97 126.06 2qx4 h TYR 67 Ca -0.13 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.77 2qx4 h TYR 67 Cb 1.03 0.02 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2qx4 h TYR 67 CO 0.55 -0.01 0.17 0.78 -1.64 0.00 0.00 178.16 178.00 2qx4 h GLY 68 N 0.19 0.40 0.83 1.82 0.00 -1.99 -0.35 103.07 103.97 2qx4 h GLY 68 Ca 0.21 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2qx4 h GLY 68 CO -0.29 0.16 0.03 -2.08 0.00 0.00 0.00 176.54 174.36 2qx4 h VAL 69 N 0.36 1.20 -0.92 4.60 2.07 -1.95 -1.14 116.25 120.46 2qx4 h VAL 69 Ca 0.10 -0.63 -0.00 0.00 0.82 0.00 0.00 66.70 66.99 2qx4 h VAL 69 Cb 0.00 1.36 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 2qx4 h VAL 69 CO -0.02 0.19 0.57 -0.33 0.02 0.00 0.00 177.57 178.00 2qx4 h GLU 70 N 0.02 1.23 0.00 1.57 4.39 -0.91 -1.31 114.58 119.57 2qx4 h GLU 70 Ca 0.04 -0.10 -0.14 0.00 0.34 0.00 0.00 59.36 59.51 2qx4 h GLU 70 Cb 0.26 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2qx4 h GLU 70 CO 0.00 0.84 -0.66 1.79 -1.16 0.00 0.00 179.01 179.83 2qx4 h THR 71 N 1.26 1.28 -0.15 1.13 1.35 -0.98 -0.47 112.91 116.33 2qx4 h THR 71 Ca 0.33 -2.42 -0.02 0.00 -0.55 0.00 0.00 66.41 63.75 2qx4 h THR 71 Cb -0.09 2.38 -0.01 0.00 -1.73 0.00 0.00 68.15 68.71 2qx4 h THR 71 CO -0.07 0.65 0.01 -0.74 -0.25 0.00 0.00 175.52 175.12 2qx4 h HIS 72 N 0.00 0.28 -0.61 4.73 -0.00 -0.77 -0.71 115.15 118.07 2qx4 h HIS 72 Ca -0.01 -0.05 -0.05 0.00 -0.00 0.00 0.00 60.37 60.26 2qx4 h HIS 72 Cb 1.33 -0.07 -0.03 0.00 -0.00 0.00 0.00 27.41 28.64 2qx4 h HIS 72 CO 0.00 0.47 0.17 0.93 -0.00 0.00 0.00 177.93 179.50 2qx4 h GLU 73 N 0.01 0.97 -0.49 5.26 4.39 -1.18 -2.46 114.58 121.08 2qx4 h GLU 73 Ca 0.04 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.46 2qx4 h GLU 73 Cb 0.36 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 2qx4 h GLU 73 CO 0.01 0.87 0.05 0.00 -1.16 0.00 0.00 179.01 178.78 2qx4 h ALA 74 N 1.05 1.18 -0.23 3.43 0.00 -0.98 -0.01 119.26 123.69 2qx4 h ALA 74 Ca 0.20 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 2qx4 h ALA 74 Cb 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2qx4 h ALA 74 CO -0.00 0.55 0.13 -0.92 0.00 0.00 0.00 179.25 179.00 2qx4 h TYR 75 N 0.74 0.31 -0.13 0.00 3.20 -0.82 0.30 116.97 120.58 2qx4 h TYR 75 Ca 0.15 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.96 2qx4 h TYR 75 Cb 0.37 -0.10 -0.01 0.00 1.54 0.00 0.00 36.73 38.53 2qx4 h TYR 75 CO 0.02 0.27 -0.20 0.87 -1.64 0.00 0.00 178.16 177.48 2qx4 h LYS 76 N 0.26 0.21 -0.49 1.82 1.57 -1.05 -2.57 116.57 116.33 2qx4 h LYS 76 Ca 0.08 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2qx4 h LYS 76 Cb 0.06 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.35 2qx4 h LYS 76 CO -0.01 0.41 0.00 1.04 -0.57 0.00 0.00 179.45 180.32 2qx4 n GLN 77 N -4.22 2.20 -3.90 3.15 1.13 -0.05 -4.94 117.38 110.74 2qx4 n GLN 77 Ca -0.01 -1.85 -0.28 0.00 -1.94 0.00 0.00 57.00 52.92 2qx4 n GLN 77 Cb 0.31 -1.41 0.01 0.00 0.11 0.00 0.00 30.24 29.26 2qx4 n GLN 77 CO 0.00 0.00 0.00 0.54 -1.44 0.00 0.00 177.06 176.16 2qx4 n ARG 78 N 1.01 -4.74 -0.17 -1.09 1.74 0.11 -4.89 116.66 108.62 2qx4 n ARG 78 Ca 0.18 0.55 0.09 0.00 -0.77 0.00 0.00 57.85 57.90 2qx4 n ARG 78 Cb 0.45 -5.21 0.15 0.00 -1.02 0.00 0.00 32.46 26.83 2qx4 n ARG 78 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2qx4 n SER 79 N -2.90 2.22 -4.87 0.55 7.64 0.84 -5.03 113.62 112.07 2qx4 n SER 79 Ca -0.10 -3.24 -0.31 0.00 1.01 0.00 0.00 58.87 56.23 2qx4 n SER 79 Cb 0.59 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2qx4 n SER 79 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2qx4 s LEU 80 N -2.94 3.74 0.55 -3.43 1.43 -1.25 -0.20 118.68 116.59 2qx4 s LEU 80 Ca 0.33 1.24 -0.21 0.00 -1.03 0.00 0.00 54.13 54.46 2qx4 s LEU 80 Cb 0.30 -4.14 -0.05 0.00 0.03 0.00 0.00 46.19 42.32 2qx4 s LEU 80 CO 0.01 -0.47 1.22 0.00 0.23 0.00 0.00 176.35 177.34 2qx4 n ALA 81 N -1.48 1.07 0.23 4.21 0.00 -0.14 -4.74 120.51 119.66 2qx4 n ALA 81 Ca 0.03 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.64 2qx4 n ALA 81 Cb 0.54 -2.27 0.53 0.00 0.00 0.00 0.00 19.45 18.25 2qx4 n ALA 81 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2qx4 h SER 82 N 1.19 0.00 -0.64 0.00 4.64 -1.95 -1.83 113.55 114.96 2qx4 h SER 82 Ca -0.49 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 60.78 2qx4 h SER 82 Cb 1.32 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.38 2qx4 h SER 82 CO 0.55 0.17 0.25 -2.24 -0.87 0.00 0.00 176.83 174.70 2qx4 h ASP 83 N 0.00 0.90 -0.06 4.97 2.03 -2.00 0.08 116.42 122.35 2qx4 h ASP 83 Ca -0.00 -0.13 -0.02 0.00 -0.73 0.00 0.00 57.03 56.15 2qx4 h ASP 83 Cb 0.32 -0.23 -0.00 0.00 -0.83 0.00 0.00 39.33 38.58 2qx4 h ASP 83 CO 0.02 0.82 -0.03 0.40 -1.03 0.00 0.00 179.24 179.42 2qx4 h ILE 84 N 0.96 1.34 -0.06 4.15 2.04 -1.78 -2.80 117.51 121.36 2qx4 h ILE 84 Ca 0.22 -1.06 -0.06 0.00 1.00 0.00 0.00 64.86 64.96 2qx4 h ILE 84 Cb 0.21 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 2qx4 h ILE 84 CO -0.02 0.29 -0.23 0.71 0.00 0.00 0.00 178.15 178.90 2qx4 h THR 85 N -0.27 1.20 -0.49 -0.27 1.35 -1.18 -0.52 112.91 112.73 2qx4 h THR 85 Ca 0.01 -0.93 -0.02 0.00 -0.55 0.00 0.00 66.41 64.93 2qx4 h THR 85 Cb 0.48 1.42 -0.02 0.00 -1.73 0.00 0.00 68.15 68.30 2qx4 h THR 85 CO 0.01 0.27 0.24 0.44 -0.25 0.00 0.00 175.52 176.23 2qx4 h ASP 86 N 0.09 0.64 -0.41 5.36 3.32 -0.96 -1.19 116.42 123.26 2qx4 h ASP 86 Ca 0.02 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.83 2qx4 h ASP 86 Cb 0.47 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.84 2qx4 h ASP 86 CO 0.03 0.58 -0.17 -0.33 -1.72 0.00 0.00 179.24 177.64 2qx4 h GLU 87 N 0.64 0.90 -0.53 3.56 4.39 -1.10 -2.74 114.58 119.71 2qx4 h GLU 87 Ca 0.17 -0.35 -0.05 0.00 0.34 0.00 0.00 59.36 59.48 2qx4 h GLU 87 Cb 0.11 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 2qx4 h GLU 87 CO -0.02 0.99 0.15 1.96 -1.16 0.00 0.00 179.01 180.93 2qx4 h GLN 88 N 0.79 0.81 -0.61 2.33 4.20 -0.73 -1.28 115.11 120.61 2qx4 h GLN 88 Ca 0.12 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.62 2qx4 h GLN 88 Cb 0.70 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.33 2qx4 h GLN 88 CO 0.05 0.72 0.16 -0.22 -0.67 0.00 0.00 178.83 178.86 2qx4 h LYS 89 N 0.78 0.98 -0.64 1.46 3.64 -1.09 0.31 116.57 122.01 2qx4 h LYS 89 Ca 0.18 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2qx4 h LYS 89 Cb 0.26 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.92 2qx4 h LYS 89 CO -0.01 0.89 0.21 0.87 -2.27 0.00 0.00 179.45 179.14 2qx4 h LYS 90 N 0.89 0.97 -0.21 1.90 1.57 -1.07 -2.04 116.57 118.57 2qx4 h LYS 90 Ca 0.19 -0.18 -0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2qx4 h LYS 90 Cb 0.34 -0.15 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2qx4 h LYS 90 CO 0.00 0.82 -0.23 0.28 -0.57 0.00 0.00 179.45 179.75 2qx4 h VAL 91 N 0.94 1.33 -0.68 0.50 2.07 -0.72 -2.26 116.25 117.43 2qx4 h VAL 91 Ca 0.21 -1.41 0.07 0.00 0.82 0.00 0.00 66.70 66.40 2qx4 h VAL 91 Cb 0.25 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.72 2qx4 h VAL 91 CO -0.01 0.43 0.36 -0.09 0.02 0.00 0.00 177.57 178.28 2qx4 h ARG 92 N 0.21 0.62 0.00 1.57 2.43 -0.23 -2.50 114.38 116.48 2qx4 h ARG 92 Ca 0.03 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2qx4 h ARG 92 Cb 0.79 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2qx4 h ARG 92 CO 0.06 0.41 -0.10 0.93 -1.51 0.00 0.00 179.97 179.75 2qx4 h GLU 93 N 0.64 0.00 -6.95 0.20 5.08 -1.37 -3.47 114.58 108.72 2qx4 h GLU 93 Ca 0.32 0.00 -0.50 0.00 -1.00 0.00 0.00 59.36 58.18 2qx4 h GLU 93 Cb 0.26 0.00 0.04 0.00 0.50 0.00 0.00 28.75 29.55 2qx4 h GLU 93 CO -0.22 0.10 0.46 0.00 -1.00 0.00 0.00 179.01 178.36 2qx4 s ALA 94 N -3.21 3.11 -0.11 3.43 0.00 -0.85 -4.71 121.76 119.41 2qx4 s ALA 94 Ca 0.06 0.84 0.20 0.00 0.00 0.00 0.00 51.96 53.06 2qx4 s ALA 94 Cb 0.06 -3.33 -0.24 0.00 0.00 0.00 0.00 23.12 19.61 2qx4 s ALA 94 CO 0.67 -0.39 0.49 -0.25 0.00 0.00 0.00 175.76 176.28 2qx4 n ASP 95 N -0.02 0.25 -3.81 0.00 8.00 0.22 -4.89 116.55 116.30 2qx4 n ASP 95 Ca 0.05 0.11 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 2qx4 n ASP 95 Cb 0.48 1.21 -0.14 0.00 -0.02 0.00 0.00 41.12 42.64 2qx4 n ASP 95 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 2qx4 s LEU 96 N -5.12 1.35 -0.19 0.64 2.96 -0.87 -0.89 118.68 116.56 2qx4 s LEU 96 Ca -0.07 0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.99 2qx4 s LEU 96 Cb 0.10 0.17 0.02 0.00 0.50 0.00 0.00 46.19 46.99 2qx4 s LEU 96 CO 0.86 -0.08 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.93 2qx4 s VAL 97 N 0.57 2.03 -0.17 1.68 1.01 -0.48 -1.06 120.40 123.98 2qx4 s VAL 97 Ca -0.04 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.89 2qx4 s VAL 97 Cb -0.06 -1.87 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 2qx4 s VAL 97 CO -0.02 0.48 0.04 -0.63 0.00 0.00 0.00 175.10 174.96 2qx4 s ILE 98 N 1.29 4.56 -0.23 2.22 1.01 -0.02 -1.13 121.20 128.90 2qx4 s ILE 98 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 60.65 60.51 2qx4 s ILE 98 Cb -0.14 -3.04 -0.02 0.00 0.01 0.00 0.00 42.46 39.27 2qx4 s ILE 98 CO -0.12 0.48 0.03 -0.36 0.00 0.00 0.00 174.94 174.96 2qx4 s PHE 99 N 0.31 3.04 -0.27 3.97 0.08 -0.30 -0.29 117.98 124.52 2qx4 s PHE 99 Ca 0.02 -0.57 -0.02 0.00 0.12 0.00 0.00 56.93 56.48 2qx4 s PHE 99 Cb -0.13 -2.18 0.04 0.00 -0.57 0.00 0.00 43.02 40.18 2qx4 s PHE 99 CO 0.01 -0.39 -0.03 -1.14 -0.10 0.00 0.00 175.22 173.57 2qx4 s GLN 100 N 1.47 2.67 0.08 0.44 2.00 -0.38 -0.09 119.66 125.85 2qx4 s GLN 100 Ca 0.05 -1.10 -0.26 0.00 -2.00 0.00 0.00 55.36 52.06 2qx4 s GLN 100 Cb -0.15 -3.08 0.08 0.00 0.80 0.00 0.00 33.01 30.66 2qx4 s GLN 100 CO 0.01 -0.50 0.68 -0.59 -0.50 0.00 0.00 175.29 174.39 2qx4 s PHE 101 N 1.30 -0.53 0.26 1.67 -0.12 -0.80 -1.04 117.98 118.72 2qx4 s PHE 101 Ca -0.02 0.48 -0.19 0.00 -0.05 0.00 0.00 56.93 57.15 2qx4 s PHE 101 Cb -0.18 0.52 -0.09 0.00 -0.63 0.00 0.00 43.02 42.65 2qx4 s PHE 101 CO -0.03 -0.74 0.75 -1.25 -0.05 0.00 0.00 175.22 173.90 2qx4 s PRO 102 N -3.06 4.20 -0.04 1.99 0.04 -1.26 -1.89 135.00 134.99 2qx4 s PRO 102 Ca -0.01 0.85 -0.30 0.00 0.04 0.00 0.00 61.00 61.58 2qx4 s PRO 102 Cb -0.01 -2.73 -0.04 0.00 0.04 0.00 0.00 34.50 31.76 2qx4 s PRO 102 CO -0.07 0.31 1.35 -1.17 0.04 0.00 0.00 177.00 177.46 2qx4 s LEU 103 N -2.29 4.29 -0.22 -3.56 2.96 0.65 -4.33 118.68 116.17 2qx4 s LEU 103 Ca 0.47 1.99 0.00 0.00 -0.22 0.00 0.00 54.13 56.37 2qx4 s LEU 103 Cb -0.15 -3.55 0.03 0.00 0.50 0.00 0.00 46.19 43.02 2qx4 s LEU 103 CO 0.20 -0.71 -0.13 -0.31 -1.32 0.00 0.00 176.35 174.08 2qx4 s TYR 104 N 2.64 2.98 -1.47 5.38 1.51 -0.40 -4.72 117.35 123.27 2qx4 s TYR 104 Ca 0.61 -1.71 -0.07 0.00 -1.01 0.00 0.00 57.07 54.89 2qx4 s TYR 104 Cb -0.28 -1.98 0.05 0.00 -0.11 0.00 0.00 41.96 39.64 2qx4 s TYR 104 CO 0.24 -0.78 0.73 0.91 -1.11 0.00 0.00 175.55 175.54 2qx4 n TRP 105 N 4.61 -1.95 -2.39 2.71 5.03 -1.26 -1.60 117.44 122.59 2qx4 n TRP 105 Ca -0.18 0.83 -0.15 0.00 3.03 0.00 0.00 57.50 61.03 2qx4 n TRP 105 Cb 0.48 -3.87 -0.01 0.00 -1.03 0.00 0.00 31.31 26.88 2qx4 n TRP 105 CO 0.00 0.00 0.00 1.19 -0.03 0.00 0.00 177.69 178.85 2qx4 n PHE 106 N -4.46 -1.25 -2.89 -5.99 3.01 -1.26 -4.89 117.46 99.73 2qx4 n PHE 106 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.33 2qx4 n PHE 106 Cb 0.60 -3.11 0.00 0.00 -0.01 0.00 0.00 39.48 36.96 2qx4 n PHE 106 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2qx4 n SER 107 N -1.82 0.00 -4.89 4.37 2.88 -0.63 -4.79 113.62 108.74 2qx4 n SER 107 Ca -0.18 -0.28 -0.30 0.00 -1.33 0.00 0.00 58.87 56.79 2qx4 n SER 107 Cb 0.63 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 64.05 2qx4 n SER 107 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2qx4 s VAL 108 N -1.95 4.94 0.66 2.46 -7.23 -1.26 -1.27 120.40 116.74 2qx4 s VAL 108 Ca 0.00 0.30 -0.17 0.00 -1.81 0.00 0.00 61.98 60.30 2qx4 s VAL 108 Cb 0.00 -3.70 -0.01 0.00 0.56 0.00 0.00 36.38 33.22 2qx4 s VAL 108 CO 0.00 -0.31 1.14 -2.65 -0.31 0.00 0.00 175.10 172.97 2qx4 n PRO 109 N -0.83 0.89 -0.21 4.82 -0.02 -1.26 -4.60 135.00 133.78 2qx4 n PRO 109 Ca -0.00 0.36 0.15 0.00 -2.02 0.00 0.00 63.50 61.99 2qx4 n PRO 109 Cb 0.54 -2.37 0.47 0.00 -0.02 0.00 0.00 33.50 32.11 2qx4 n PRO 109 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qx4 h ALA 110 N 0.29 2.05 -0.47 3.55 0.00 -1.96 0.04 119.26 122.76 2qx4 h ALA 110 Ca -0.49 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.38 2qx4 h ALA 110 Cb 1.34 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 2qx4 h ALA 110 CO 0.51 -0.28 0.10 0.97 0.00 0.00 0.00 179.25 180.55 2qx4 h ILE 111 N 0.49 1.21 0.07 0.00 2.10 -1.94 0.10 117.51 119.55 2qx4 h ILE 111 Ca 0.41 -0.76 -0.25 0.00 1.08 0.00 0.00 64.86 65.34 2qx4 h ILE 111 Cb 0.87 0.75 0.01 0.00 -1.09 0.00 0.00 36.82 37.35 2qx4 h ILE 111 CO -0.16 0.28 -1.10 0.25 -1.08 0.00 0.00 178.15 176.34 2qx4 h LEU 112 N 0.69 0.52 -1.20 2.19 5.85 -1.51 -2.41 115.31 119.45 2qx4 h LEU 112 Ca 0.15 -0.48 0.02 0.00 0.84 0.00 0.00 57.88 58.41 2qx4 h LEU 112 Cb 0.28 -0.16 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2qx4 h LEU 112 CO -0.00 1.32 0.55 0.50 -0.34 0.00 0.00 178.44 180.46 2qx4 h LYS 113 N 0.16 1.05 -0.55 1.25 1.63 -0.49 -1.44 116.57 118.18 2qx4 h LYS 113 Ca -0.11 -0.06 -0.08 0.00 -0.85 0.00 0.00 60.65 59.54 2qx4 h LYS 113 Cb 1.78 -0.24 -0.02 0.00 -0.60 0.00 0.00 32.23 33.15 2qx4 h LYS 113 CO 0.19 0.70 0.03 0.78 -3.45 0.00 0.00 179.45 177.70 2qx4 h GLY 114 N 1.09 0.99 0.98 5.01 0.00 -0.66 0.13 103.07 110.61 2qx4 h GLY 114 Ca 0.31 -0.66 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 2qx4 h GLY 114 CO -0.08 0.62 0.27 -0.25 0.00 0.00 0.00 176.54 177.10 2qx4 h TRP 115 N 0.85 0.61 -0.34 5.60 7.01 -0.83 -0.44 115.95 128.41 2qx4 h TRP 115 Ca 0.17 -0.01 -0.04 0.00 2.11 0.00 0.00 58.89 61.12 2qx4 h TRP 115 Cb 0.46 -0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.31 2qx4 h TRP 115 CO 0.03 0.44 0.08 0.52 -2.79 0.00 0.00 178.44 176.72 2qx4 h MET 116 N 0.61 0.56 -0.74 2.65 2.86 -0.68 0.60 114.93 120.78 2qx4 h MET 116 Ca 0.16 -0.14 -0.01 0.00 -2.06 0.00 0.00 59.70 57.65 2qx4 h MET 116 Cb 0.01 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.57 2qx4 h MET 116 CO -0.03 0.61 0.42 -0.44 1.06 0.00 0.00 176.91 178.53 2qx4 h ASP 117 N 0.40 0.91 0.19 1.22 3.32 -0.54 -2.61 116.42 119.31 2qx4 h ASP 117 Ca 0.11 -0.07 -0.35 0.00 0.02 0.00 0.00 57.03 56.74 2qx4 h ASP 117 Cb 0.31 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 2qx4 h ASP 117 CO 0.00 0.73 -2.08 0.54 -1.72 0.00 0.00 179.24 176.72 2qx4 n ARG 118 N -4.36 0.69 0.13 3.56 1.74 -0.19 -4.50 116.66 113.73 2qx4 n ARG 118 Ca 0.08 0.20 -0.24 0.00 -0.77 0.00 0.00 57.85 57.11 2qx4 n ARG 118 Cb 0.09 -1.66 -0.16 0.00 -1.02 0.00 0.00 32.46 29.71 2qx4 n ARG 118 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2qx4 h VAL 119 N 0.02 1.21 -1.05 1.55 2.07 -0.95 -3.39 116.25 115.72 2qx4 h VAL 119 Ca -0.44 -2.67 -0.74 0.00 0.82 0.00 0.00 66.70 63.67 2qx4 h VAL 119 Cb 2.04 2.99 -0.12 0.00 -1.52 0.00 0.00 31.29 34.68 2qx4 h VAL 119 CO 0.04 0.82 2.41 0.18 0.02 0.00 0.00 177.57 181.04 2qx4 n LEU 120 N -3.69 7.24 -4.92 2.57 4.77 -0.98 -4.82 117.00 117.17 2qx4 n LEU 120 Ca -0.18 -4.64 -0.26 0.00 -0.03 0.00 0.00 56.01 50.90 2qx4 n LEU 120 Cb 1.10 -1.47 0.01 0.00 -2.33 0.00 0.00 43.42 40.73 2qx4 n LEU 120 CO 0.59 1.60 0.42 0.00 -1.33 0.00 0.00 177.39 178.66 2qx4 s GLN 122 N -4.75 4.22 0.00 0.00 0.74 -1.26 -1.38 119.66 117.23 2qx4 s GLN 122 Ca 0.49 2.40 0.00 0.00 0.05 0.00 0.00 55.36 58.30 2qx4 s GLN 122 Cb -0.10 -3.06 0.00 0.00 1.10 0.00 0.00 33.01 30.94 2qx4 s GLN 122 CO 0.43 -0.47 0.00 0.41 -0.55 0.00 0.00 175.29 175.11 2qx4 n GLY 123 N 1.84 2.77 0.11 2.59 0.00 0.13 -4.40 105.19 108.23 2qx4 n GLY 123 Ca 0.06 -0.20 -0.17 0.00 0.00 0.00 0.00 46.02 45.71 2qx4 n GLY 123 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2qx4 n PHE 124 N 0.00 0.24 -0.04 1.61 7.35 -0.73 -4.77 117.46 121.12 2qx4 n PHE 124 Ca 0.00 0.11 0.04 0.00 -0.76 0.00 0.00 57.45 56.84 2qx4 n PHE 124 Cb 0.00 -0.77 -0.17 0.00 0.35 0.00 0.00 39.48 38.89 2qx4 n PHE 124 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2qx4 n ALA 125 N -4.16 2.40 -3.56 3.13 0.00 -0.48 -4.64 120.51 113.19 2qx4 n ALA 125 Ca -0.29 -0.78 -0.10 0.00 0.00 0.00 0.00 53.44 52.28 2qx4 n ALA 125 Cb 0.62 -0.57 -0.02 0.00 0.00 0.00 0.00 19.45 19.48 2qx4 n ALA 125 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 177.50 176.91 2qx4 s PHE 126 N -3.19 -0.38 0.10 0.00 -0.71 -1.25 -2.38 117.98 110.17 2qx4 s PHE 126 Ca -0.09 0.07 -0.07 0.00 -1.04 0.00 0.00 56.93 55.81 2qx4 s PHE 126 Cb 0.11 0.60 0.03 0.00 -1.21 0.00 0.00 43.02 42.55 2qx4 s PHE 126 CO 0.88 -0.99 0.35 -3.47 -1.34 0.00 0.00 175.22 170.65 2qx4 n ASP 127 N -0.40 -0.72 -4.56 1.98 -0.08 -0.76 0.19 116.55 112.20 2qx4 n ASP 127 Ca -0.12 -1.42 -0.39 0.00 -1.51 0.00 0.00 54.79 51.34 2qx4 n ASP 127 Cb 0.63 1.18 -0.10 0.00 2.34 0.00 0.00 41.12 45.16 2qx4 n ASP 127 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 2qx4 s ILE 128 N -2.48 5.26 -0.24 5.18 1.01 -1.26 -0.70 121.20 127.97 2qx4 s ILE 128 Ca 0.08 0.04 0.14 0.00 0.00 0.00 0.00 60.65 60.90 2qx4 s ILE 128 Cb -0.01 -3.67 0.75 0.00 0.01 0.00 0.00 42.46 39.54 2qx4 s ILE 128 CO 0.03 0.08 1.70 -0.81 0.00 0.00 0.00 174.94 175.94 2qx4 n PRO 129 N 5.17 4.30 -2.38 2.79 -0.04 -1.26 -5.08 135.00 138.50 2qx4 n PRO 129 Ca -0.12 -3.10 -0.37 0.00 -0.04 0.00 0.00 63.50 59.87 2qx4 n PRO 129 Cb 0.50 -2.18 -0.03 0.00 -0.04 0.00 0.00 33.50 31.76 2qx4 n PRO 129 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2qx4 s GLY 130 N -1.08 1.05 0.09 0.55 0.00 0.13 -4.77 107.32 103.29 2qx4 s GLY 130 Ca 0.52 -2.57 -0.12 0.00 0.00 0.00 0.00 44.72 42.55 2qx4 s GLY 130 CO 0.14 3.05 0.29 -0.11 0.00 0.00 0.00 173.10 176.47 2qx4 s PHE 131 N 6.90 -0.03 0.00 1.90 -0.12 -1.22 -1.83 117.98 123.58 2qx4 s PHE 131 Ca 0.59 -0.28 0.00 0.00 -0.05 0.00 0.00 56.93 57.19 2qx4 s PHE 131 Cb 0.02 0.09 0.00 0.00 -0.63 0.00 0.00 43.02 42.49 2qx4 s PHE 131 CO 0.09 -0.59 0.00 0.66 -0.05 0.00 0.00 175.22 175.33 2qx4 n TYR 132 N 0.05 0.00 0.14 3.49 4.01 0.96 -1.72 117.16 124.10 2qx4 n TYR 132 Ca -0.16 0.00 0.18 0.00 -0.16 0.00 0.00 57.90 57.76 2qx4 n TYR 132 Cb 0.62 0.00 0.78 0.00 -0.31 0.00 0.00 39.34 40.43 2qx4 n TYR 132 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 2qx4 h ASP 133 N 0.00 0.00 -0.42 7.72 3.45 -1.89 -0.27 116.42 125.02 2qx4 h ASP 133 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 2qx4 h ASP 133 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 2qx4 h ASP 133 CO 0.00 0.00 0.00 -1.54 -1.57 0.00 0.00 179.24 176.13 2qx4 n SER 134 N -3.88 3.67 -4.48 6.45 3.41 -0.70 -4.92 113.62 113.17 2qx4 n SER 134 Ca 0.04 -2.37 -0.38 0.00 -0.26 0.00 0.00 58.87 55.90 2qx4 n SER 134 Cb 0.45 -0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.04 2qx4 n SER 134 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qx4 n GLY 135 N 0.45 -1.41 0.11 5.00 0.00 -0.12 -3.39 105.19 105.83 2qx4 n GLY 135 Ca 0.18 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.08 2qx4 n GLY 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2qx4 n LEU 136 N 0.19 0.47 -2.01 0.99 4.77 -1.00 -1.78 117.00 118.63 2qx4 n LEU 136 Ca 0.11 0.67 -0.09 0.00 -0.03 0.00 0.00 56.01 56.67 2qx4 n LEU 136 Cb 0.48 -0.67 0.28 0.00 -2.33 0.00 0.00 43.42 41.18 2qx4 n LEU 136 CO 0.51 -0.69 1.08 0.18 -1.33 0.00 0.00 177.39 177.14 2qx4 n LEU 137 N -2.08 6.16 -4.76 2.23 4.77 0.37 -4.96 117.00 118.73 2qx4 n LEU 137 Ca 0.00 -3.32 -0.39 0.00 -0.03 0.00 0.00 56.01 52.28 2qx4 n LEU 137 Cb 0.11 -0.76 0.03 0.00 -2.33 0.00 0.00 43.42 40.47 2qx4 n LEU 137 CO 0.12 0.87 0.99 0.00 -1.33 0.00 0.00 177.39 178.04 2qx4 s GLN 138 N -3.07 3.36 0.00 3.23 -2.07 -0.73 -2.25 119.66 118.12 2qx4 s GLN 138 Ca 0.55 2.23 0.00 0.00 -1.82 0.00 0.00 55.36 56.32 2qx4 s GLN 138 Cb 0.45 -2.38 0.00 0.00 -1.09 0.00 0.00 33.01 29.99 2qx4 s GLN 138 CO 0.13 -1.02 0.00 0.41 -1.32 0.00 0.00 175.29 173.49 2qx4 n GLY 139 N 0.66 2.50 3.94 2.60 0.00 -1.26 -5.00 105.19 108.63 2qx4 n GLY 139 Ca 0.09 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.84 2qx4 n GLY 139 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qx4 s LYS 140 N -0.95 3.45 0.07 1.61 1.02 -0.95 -4.99 119.74 119.00 2qx4 s LYS 140 Ca 0.00 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 55.47 2qx4 s LYS 140 Cb 0.00 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.31 2qx4 s LYS 140 CO 0.00 0.52 0.15 -0.51 -0.92 0.00 0.00 175.35 174.58 2qx4 s LEU 141 N -3.14 4.07 0.03 3.17 1.43 -0.07 -1.08 118.68 123.09 2qx4 s LEU 141 Ca 0.35 0.12 0.00 0.00 -1.03 0.00 0.00 54.13 53.57 2qx4 s LEU 141 Cb -0.11 -2.71 -0.02 0.00 0.03 0.00 0.00 46.19 43.38 2qx4 s LEU 141 CO 0.28 0.17 -0.04 0.00 0.23 0.00 0.00 176.35 176.99 2qx4 s ALA 142 N -1.46 0.23 -0.16 4.21 0.00 -0.29 -1.38 121.76 122.91 2qx4 s ALA 142 Ca 0.32 -0.66 -0.10 0.00 0.00 0.00 0.00 51.96 51.51 2qx4 s ALA 142 Cb -0.12 0.14 0.05 0.00 0.00 0.00 0.00 23.12 23.18 2qx4 s ALA 142 CO 0.25 -0.14 0.41 -1.17 0.00 0.00 0.00 175.76 175.10 2qx4 s LEU 143 N -1.57 0.06 -0.27 0.00 0.20 -0.29 -0.63 118.68 116.18 2qx4 s LEU 143 Ca -0.13 0.86 -0.13 0.00 0.69 0.00 0.00 54.13 55.42 2qx4 s LEU 143 Cb -0.09 1.35 -0.04 0.00 -0.43 0.00 0.00 46.19 46.97 2qx4 s LEU 143 CO -0.01 -0.18 0.26 -0.76 -0.29 0.00 0.00 176.35 175.37 2qx4 s LEU 144 N 1.09 4.04 -0.39 -0.68 1.43 -1.26 -1.15 118.68 121.76 2qx4 s LEU 144 Ca -0.07 0.13 -0.04 0.00 -1.03 0.00 0.00 54.13 53.12 2qx4 s LEU 144 Cb -0.07 -2.25 0.10 0.00 0.03 0.00 0.00 46.19 44.00 2qx4 s LEU 144 CO -0.09 -0.09 0.18 -0.55 0.23 0.00 0.00 176.35 176.02 2qx4 s SER 145 N 1.65 5.26 0.05 2.29 0.15 0.87 -0.39 113.70 123.58 2qx4 s SER 145 Ca 0.10 -1.83 0.06 0.00 0.70 0.00 0.00 55.95 54.99 2qx4 s SER 145 Cb -0.16 -1.83 -0.04 0.00 -1.71 0.00 0.00 66.02 62.28 2qx4 s SER 145 CO 0.10 -0.50 -0.13 -0.69 1.20 0.00 0.00 173.24 173.22 2qx4 s VAL 146 N 1.20 3.16 0.07 4.45 1.01 0.14 -1.91 120.40 128.53 2qx4 s VAL 146 Ca 0.05 -1.13 0.08 0.00 0.00 0.00 0.00 61.98 60.98 2qx4 s VAL 146 Cb -0.22 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2qx4 s VAL 146 CO -0.03 0.27 -0.17 0.42 0.00 0.00 0.00 175.10 175.59 2qx4 s THR 147 N -1.04 2.86 0.28 3.92 -4.23 -0.79 -1.06 115.64 115.58 2qx4 s THR 147 Ca 0.17 -1.31 0.06 0.00 -1.18 0.00 0.00 61.69 59.43 2qx4 s THR 147 Cb -0.11 -2.25 -0.06 0.00 1.34 0.00 0.00 72.50 71.42 2qx4 s THR 147 CO 0.08 0.23 -0.04 0.42 -0.54 0.00 0.00 174.62 174.78 2qx4 s THR 148 N -1.03 1.51 -0.15 3.99 -4.23 -0.99 -0.26 115.64 114.49 2qx4 s THR 148 Ca 0.16 -2.09 0.13 0.00 -1.18 0.00 0.00 61.69 58.70 2qx4 s THR 148 Cb -0.11 -2.48 -0.24 0.00 1.34 0.00 0.00 72.50 71.02 2qx4 s THR 148 CO 0.08 -0.27 0.25 0.61 -0.54 0.00 0.00 174.62 174.75 2qx4 n GLY 149 N -0.58 -0.89 3.81 3.99 0.00 -1.26 -2.15 105.19 108.11 2qx4 n GLY 149 Ca -0.05 -0.22 -0.36 0.00 0.00 0.00 0.00 46.02 45.39 2qx4 n GLY 149 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2qx4 s GLY 150 N -5.49 2.62 0.79 -0.02 0.00 -1.26 -4.53 107.32 99.42 2qx4 s GLY 150 Ca -0.12 0.21 -0.10 0.00 0.00 0.00 0.00 44.72 44.70 2qx4 s GLY 150 CO 0.80 0.56 1.10 -0.51 0.00 0.00 0.00 173.10 175.05 2qx4 s THR 151 N -1.58 3.17 0.40 0.90 -4.23 -1.26 -3.85 115.64 109.19 2qx4 s THR 151 Ca 0.45 0.38 0.09 0.00 -1.18 0.00 0.00 61.69 61.43 2qx4 s THR 151 Cb -0.16 -2.82 0.30 0.00 1.34 0.00 0.00 72.50 71.16 2qx4 s THR 151 CO 0.21 -0.50 1.98 0.00 -0.54 0.00 0.00 174.62 175.77 2qx4 h ALA 152 N -1.22 1.82 -0.52 3.99 0.00 -1.95 -1.48 119.26 119.89 2qx4 h ALA 152 Ca -0.44 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 2qx4 h ALA 152 Cb 1.24 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2qx4 h ALA 152 CO 0.50 0.07 0.25 1.49 0.00 0.00 0.00 179.25 181.56 2qx4 h GLU 153 N 0.60 0.75 0.00 0.00 4.57 -2.00 -2.16 114.58 116.34 2qx4 h GLU 153 Ca 0.28 -0.11 -0.00 0.00 -1.18 0.00 0.00 59.36 58.34 2qx4 h GLU 153 Cb 0.32 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2qx4 h GLU 153 CO -0.08 0.63 -0.01 0.52 -1.18 0.00 0.00 179.01 178.88 2qx4 h MET 154 N 0.70 0.00 -1.31 1.92 2.86 -1.63 -2.66 114.93 114.81 2qx4 h MET 154 Ca 0.18 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.26 2qx4 h MET 154 Cb 0.12 0.00 -0.23 0.00 0.06 0.00 0.00 31.60 31.55 2qx4 h MET 154 CO -0.02 0.01 0.71 0.66 1.06 0.00 0.00 176.91 179.33 2qx4 n TYR 155 N -4.20 2.55 -4.09 -0.22 4.01 -0.81 -1.58 117.16 112.81 2qx4 n TYR 155 Ca -0.03 -2.56 -0.24 0.00 -0.16 0.00 0.00 57.90 54.91 2qx4 n TYR 155 Cb 0.10 -1.27 -0.05 0.00 -0.31 0.00 0.00 39.34 37.81 2qx4 n TYR 155 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 2qx4 s THR 156 N -3.84 4.52 0.28 -0.72 -4.23 -1.00 -3.32 115.64 107.32 2qx4 s THR 156 Ca 0.52 -1.23 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2qx4 s THR 156 Cb 0.41 -3.38 0.44 0.00 1.34 0.00 0.00 72.50 71.31 2qx4 s THR 156 CO -0.05 -0.24 1.52 0.29 -0.54 0.00 0.00 174.62 175.60 2qx4 n LYS 157 N -0.81 -0.09 -0.85 3.99 4.76 -1.26 0.56 118.16 124.46 2qx4 n LYS 157 Ca -0.08 1.51 0.02 0.00 -2.87 0.00 0.00 58.31 56.89 2qx4 n LYS 157 Cb 0.56 -2.27 0.33 0.00 -1.84 0.00 0.00 35.03 31.81 2qx4 n LYS 157 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 2qx4 n THR 158 N -5.56 2.73 -2.38 -0.18 -2.24 -1.26 -4.38 114.28 101.01 2qx4 n THR 158 Ca 0.17 -1.67 -0.26 0.00 -2.27 0.00 0.00 64.05 60.02 2qx4 n THR 158 Cb 0.53 -0.31 0.04 0.00 -2.10 0.00 0.00 70.33 68.50 2qx4 n THR 158 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qx4 s GLY 159 N -1.21 1.65 0.46 3.38 0.00 0.19 -4.97 107.32 106.82 2qx4 s GLY 159 Ca 0.52 -0.84 0.12 0.00 0.00 0.00 0.00 44.72 44.52 2qx4 s GLY 159 CO 0.13 -0.52 2.09 -0.39 0.00 0.00 0.00 173.10 174.41 2qx4 h VAL 160 N -0.26 1.06 0.00 1.40 -1.51 -1.83 -2.46 116.25 112.65 2qx4 h VAL 160 Ca -0.45 -0.17 0.00 0.00 -1.23 0.00 0.00 66.70 64.86 2qx4 h VAL 160 Cb 1.28 0.85 0.00 0.00 -2.13 0.00 0.00 31.29 31.29 2qx4 h VAL 160 CO 0.60 0.07 -0.86 0.78 -1.23 0.00 0.00 177.57 176.93 2qx4 h ASN 161 N 0.22 0.00 -4.39 4.19 2.35 -1.60 -3.51 115.58 112.84 2qx4 h ASN 161 Ca 0.06 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.69 2qx4 h ASN 161 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 2qx4 h ASN 161 CO -0.01 0.06 0.00 0.61 -1.65 0.00 0.00 177.43 176.44 2qx4 n GLY 162 N 1.26 -0.63 3.77 2.83 0.00 -0.93 -4.91 105.19 106.58 2qx4 n GLY 162 Ca 0.01 -1.74 -0.38 0.00 0.00 0.00 0.00 46.02 43.91 2qx4 n GLY 162 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qx4 s ASP 163 N -1.86 6.35 0.45 1.61 2.15 -1.18 -3.01 116.67 121.18 2qx4 s ASP 163 Ca 0.00 2.38 0.12 0.00 0.43 0.00 0.00 52.55 55.48 2qx4 s ASP 163 Cb 0.00 -2.61 1.02 0.00 -0.30 0.00 0.00 42.92 41.03 2qx4 s ASP 163 CO 0.00 -0.80 2.06 0.77 -0.17 0.00 0.00 175.17 177.04 2qx4 h SER 164 N 2.42 0.19 -0.02 -0.34 4.64 -1.90 -0.84 113.55 117.71 2qx4 h SER 164 Ca -0.49 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2qx4 h SER 164 Cb 1.24 -0.05 -0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2qx4 h SER 164 CO 0.62 0.20 0.02 0.03 -0.87 0.00 0.00 176.83 176.83 2qx4 h ARG 165 N 0.22 0.00 0.11 4.77 3.08 -1.91 -1.66 114.38 118.99 2qx4 h ARG 165 Ca 0.06 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 2qx4 h ARG 165 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.13 2qx4 h ARG 165 CO -0.00 0.00 -0.06 1.88 -1.07 0.00 0.00 179.97 180.72 2qx4 h TYR 166 N 0.00 -0.14 0.00 3.04 0.05 -1.30 -2.82 116.97 115.80 2qx4 h TYR 166 Ca 0.01 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2qx4 h TYR 166 Cb 0.05 0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.84 2qx4 h TYR 166 CO 0.00 0.06 0.00 0.27 -1.05 0.00 0.00 178.16 177.44 2qx4 h PHE 167 N -0.32 0.00 0.00 4.88 -5.15 -1.50 -3.12 116.94 111.73 2qx4 h PHE 167 Ca -0.02 0.00 -0.05 0.00 -0.20 0.00 0.00 57.97 57.71 2qx4 h PHE 167 Cb 0.26 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.43 2qx4 h PHE 167 CO -0.02 0.00 -0.22 -0.07 -2.00 0.00 0.00 178.31 176.00 2qx4 h LEU 168 N 0.00 0.00 -0.40 2.10 3.38 -1.16 -3.36 115.31 115.87 2qx4 h LEU 168 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2qx4 h LEU 168 Cb 0.79 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 41.45 2qx4 h LEU 168 CO 0.00 0.22 -0.42 -0.25 0.09 0.00 0.00 178.44 178.08 2qx4 h TRP 169 N 0.00 -1.22 -0.15 1.13 2.91 -1.44 0.27 115.95 117.46 2qx4 h TRP 169 Ca -0.00 0.07 0.01 0.00 1.13 0.00 0.00 58.89 60.09 2qx4 h TRP 169 Cb 0.69 0.59 -0.01 0.00 -0.51 0.00 0.00 29.16 29.92 2qx4 h TRP 169 CO 0.00 -0.44 0.10 -1.35 -1.03 0.00 0.00 178.44 175.72 2qx4 h PRO 170 N -0.32 0.17 0.00 2.65 0.11 -1.83 -0.77 132.00 132.02 2qx4 h PRO 170 Ca 0.14 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2qx4 h PRO 170 Cb 0.58 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.65 2qx4 h PRO 170 CO -0.57 0.11 -0.25 -0.07 -0.21 0.00 0.00 178.00 177.01 2qx4 h LEU 171 N 0.18 0.00 0.13 2.35 3.38 -1.51 -1.78 115.31 118.06 2qx4 h LEU 171 Ca 0.06 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 2qx4 h LEU 171 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2qx4 h LEU 171 CO -0.01 0.77 -0.06 1.56 0.09 0.00 0.00 178.44 180.79 2qx4 h GLN 172 N -1.00 -0.17 0.00 1.13 4.20 -0.53 -0.61 115.11 118.13 2qx4 h GLN 172 Ca -0.04 0.01 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2qx4 h GLN 172 Cb 0.47 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.29 2qx4 h GLN 172 CO -0.02 0.19 -0.27 1.25 -0.67 0.00 0.00 178.83 179.30 2qx4 h HIS 173 N -0.54 0.00 0.00 2.96 2.76 -1.36 0.27 115.15 119.23 2qx4 h HIS 173 Ca -0.02 0.00 -0.01 0.00 -2.20 0.00 0.00 60.37 58.14 2qx4 h HIS 173 Cb 0.43 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.39 2qx4 h HIS 173 CO 0.04 0.29 -0.07 0.78 -1.30 0.00 0.00 177.93 177.67 2qx4 h GLY 174 N -1.00 0.00 0.00 5.26 0.00 -1.11 -2.37 103.07 103.85 2qx4 h GLY 174 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.30 2qx4 h GLY 174 CO -0.02 0.00 -0.11 2.41 0.00 0.00 0.00 176.54 178.82 2qx4 n THR 175 N -3.67 0.43 0.24 4.70 -1.04 -0.68 -4.52 114.28 109.75 2qx4 n THR 175 Ca -0.02 0.22 -0.15 0.00 -2.04 0.00 0.00 64.05 62.06 2qx4 n THR 175 Cb 0.17 -1.40 -0.08 0.00 -1.82 0.00 0.00 70.33 67.20 2qx4 n THR 175 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2qx4 h LEU 176 N -0.11 -0.52 -1.07 -4.42 3.38 -1.10 -2.04 115.31 109.43 2qx4 h LEU 176 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 2qx4 h LEU 176 Cb 0.11 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 2qx4 h LEU 176 CO 0.00 -0.22 0.44 -0.74 0.09 0.00 0.00 178.44 178.01 2qx4 h HIS 177 N -0.82 1.06 -0.75 1.13 2.76 -0.52 -1.69 115.15 116.32 2qx4 h HIS 177 Ca -0.06 -0.02 0.10 0.00 -2.20 0.00 0.00 60.37 58.19 2qx4 h HIS 177 Cb 0.56 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 29.12 2qx4 h HIS 177 CO -0.00 0.73 0.49 0.35 -1.30 0.00 0.00 177.93 178.20 2qx4 h PHE 178 N 1.10 0.70 -0.06 5.26 3.57 -1.26 0.15 116.94 126.40 2qx4 h PHE 178 Ca 0.28 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.80 2qx4 h PHE 178 Cb 0.01 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 38.52 2qx4 h PHE 178 CO 0.01 0.33 0.00 0.00 -2.23 0.00 0.00 178.31 176.42 2qx4 n GLY 180 N 1.02 0.12 3.75 0.00 0.00 0.04 -0.48 105.19 109.63 2qx4 n GLY 180 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2qx4 n GLY 180 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qx4 s PHE 181 N -2.00 2.31 -0.22 1.61 0.08 -0.89 -3.63 117.98 115.24 2qx4 s PHE 181 Ca 0.00 1.40 -0.15 0.00 0.12 0.00 0.00 56.93 58.30 2qx4 s PHE 181 Cb 0.00 -3.75 -0.04 0.00 -0.57 0.00 0.00 43.02 38.66 2qx4 s PHE 181 CO 0.00 -2.78 0.36 0.15 -0.10 0.00 0.00 175.22 172.85 2qx4 s LYS 182 N -2.96 4.14 -0.26 0.44 -0.14 -0.24 -4.32 119.74 116.41 2qx4 s LYS 182 Ca 0.72 0.11 -0.16 0.00 -1.36 0.00 0.00 55.97 55.29 2qx4 s LYS 182 Cb -0.39 -3.55 -0.04 0.00 -1.68 0.00 0.00 37.83 32.18 2qx4 s LYS 182 CO 0.45 -0.05 0.40 0.08 -0.76 0.00 0.00 175.35 175.48 2qx4 s VAL 183 N 1.36 5.16 0.55 3.17 1.01 -1.26 -1.14 120.40 129.24 2qx4 s VAL 183 Ca 0.17 0.64 -0.10 0.00 0.00 0.00 0.00 61.98 62.69 2qx4 s VAL 183 Cb -0.15 -3.72 -0.05 0.00 0.00 0.00 0.00 36.38 32.46 2qx4 s VAL 183 CO 0.08 0.16 0.93 -0.76 0.00 0.00 0.00 175.10 175.51 2qx4 s LEU 184 N 2.01 3.45 0.27 3.92 1.43 0.20 -0.45 118.68 129.51 2qx4 s LEU 184 Ca 0.17 1.28 -0.30 0.00 -1.03 0.00 0.00 54.13 54.24 2qx4 s LEU 184 Cb -0.16 -4.27 -0.13 0.00 0.03 0.00 0.00 46.19 41.66 2qx4 s LEU 184 CO 0.09 -0.71 1.35 0.00 0.23 0.00 0.00 176.35 177.32 2qx4 n ALA 185 N -2.32 1.10 -1.76 4.21 0.00 -1.26 -4.63 120.51 115.85 2qx4 n ALA 185 Ca 0.04 0.40 -0.37 0.00 0.00 0.00 0.00 53.44 53.51 2qx4 n ALA 185 Cb 0.54 -2.26 0.02 0.00 0.00 0.00 0.00 19.45 17.75 2qx4 n ALA 185 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2qx4 s PRO 186 N -0.91 3.33 -0.36 0.00 0.04 -1.26 -4.73 135.00 131.11 2qx4 s PRO 186 Ca 0.64 1.86 -0.13 0.00 0.04 0.00 0.00 61.00 63.41 2qx4 s PRO 186 Cb -0.63 -2.17 -0.00 0.00 0.04 0.00 0.00 34.50 31.74 2qx4 s PRO 186 CO 0.54 -0.93 0.25 -1.14 0.04 0.00 0.00 177.00 175.76 2qx4 s GLN 187 N -3.02 3.31 -0.26 4.56 2.00 0.48 -5.00 119.66 121.73 2qx4 s GLN 187 Ca 0.71 -0.77 -0.03 0.00 -2.00 0.00 0.00 55.36 53.27 2qx4 s GLN 187 Cb -0.31 -3.82 0.02 0.00 0.80 0.00 0.00 33.01 29.70 2qx4 s GLN 187 CO 0.36 -0.53 -0.03 0.42 -0.50 0.00 0.00 175.29 175.00 2qx4 s ILE 188 N 1.69 3.10 -0.58 -2.34 1.01 -1.26 -0.68 121.20 122.14 2qx4 s ILE 188 Ca 0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 2qx4 s ILE 188 Cb -0.18 -2.57 0.14 0.00 0.01 0.00 0.00 42.46 39.86 2qx4 s ILE 188 CO 0.10 0.19 0.52 -0.44 0.00 0.00 0.00 174.94 175.31 2qx4 s SER 189 N 1.36 6.20 0.15 3.58 0.01 -0.23 -5.01 113.70 119.77 2qx4 s SER 189 Ca 0.01 -1.97 -0.30 0.00 1.31 0.00 0.00 55.95 55.00 2qx4 s SER 189 Cb -0.17 -2.18 -0.08 0.00 0.21 0.00 0.00 66.02 63.81 2qx4 s SER 189 CO -0.03 -0.78 1.26 -0.36 0.41 0.00 0.00 173.24 173.73 2qx4 s PHE 190 N 1.31 3.36 -0.79 2.43 0.08 -1.26 -2.35 117.98 120.77 2qx4 s PHE 190 Ca 0.06 1.27 -0.21 0.00 0.12 0.00 0.00 56.93 58.18 2qx4 s PHE 190 Cb -0.26 -3.51 0.03 0.00 -0.57 0.00 0.00 43.02 38.71 2qx4 s PHE 190 CO 0.01 -1.57 0.39 0.00 -0.10 0.00 0.00 175.22 173.94 2qx4 n ALA 191 N 3.07 -1.99 0.28 5.36 0.00 -0.91 -4.85 120.51 121.47 2qx4 n ALA 191 Ca 0.07 -0.37 0.12 0.00 0.00 0.00 0.00 53.44 53.26 2qx4 n ALA 191 Cb 0.44 -1.51 0.79 0.00 0.00 0.00 0.00 19.45 19.17 2qx4 n ALA 191 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2qx4 h PRO 192 N -0.56 0.00 0.00 0.00 0.13 -1.76 -2.40 132.00 127.42 2qx4 h PRO 192 Ca -0.45 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.63 2qx4 h PRO 192 Cb 0.89 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.01 2qx4 h PRO 192 CO 0.34 0.04 -0.26 0.93 -0.23 0.00 0.00 178.00 178.82 2qx4 h GLU 193 N 0.00 0.00 0.00 0.86 5.08 -1.88 -3.12 114.58 115.52 2qx4 h GLU 193 Ca -0.00 0.00 -0.22 0.00 -1.00 0.00 0.00 59.36 58.14 2qx4 h GLU 193 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 2qx4 h GLU 193 CO 0.01 0.26 -1.92 -0.89 -1.00 0.00 0.00 179.01 175.47 2qx4 n ILE 194 N -3.76 1.07 -0.83 3.13 5.41 -0.93 -4.99 119.36 118.46 2qx4 n ILE 194 Ca -0.01 -0.73 -0.31 0.00 1.00 0.00 0.00 62.75 62.70 2qx4 n ILE 194 Cb 0.36 -0.52 0.16 0.00 -0.71 0.00 0.00 39.64 38.93 2qx4 n ILE 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qx4 s ALA 195 N -2.85 1.43 0.71 -1.39 0.00 -1.04 -5.01 121.76 113.61 2qx4 s ALA 195 Ca -0.07 0.41 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 2qx4 s ALA 195 Cb 0.09 -3.38 0.02 0.00 0.00 0.00 0.00 23.12 19.85 2qx4 s ALA 195 CO 0.84 -2.65 1.07 -1.54 0.00 0.00 0.00 175.76 173.47 2qx4 s SER 196 N -2.85 5.25 0.24 0.00 1.04 -1.26 -4.83 113.70 111.30 2qx4 s SER 196 Ca 0.66 1.53 -0.04 0.00 0.48 0.00 0.00 55.95 58.57 2qx4 s SER 196 Cb -0.22 -2.39 0.42 0.00 0.10 0.00 0.00 66.02 63.94 2qx4 s SER 196 CO 0.58 -1.51 1.76 -0.08 0.98 0.00 0.00 173.24 174.97 2qx4 h GLU 197 N -0.77 0.56 -0.01 4.02 4.22 -1.95 0.12 114.58 120.78 2qx4 h GLU 197 Ca -0.44 -0.03 -0.18 0.00 0.08 0.00 0.00 59.36 58.78 2qx4 h GLU 197 Cb 1.22 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 2qx4 h GLU 197 CO 0.58 0.37 -0.79 0.93 -2.18 0.00 0.00 179.01 177.92 2qx4 h GLU 198 N 0.58 0.14 -0.13 1.92 4.39 -1.98 -1.40 114.58 118.09 2qx4 h GLU 198 Ca 0.40 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.89 2qx4 h GLU 198 Cb 0.51 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.18 2qx4 h GLU 198 CO -0.33 0.86 -0.26 0.93 -1.16 0.00 0.00 179.01 179.05 2qx4 h GLU 199 N 0.08 0.24 0.55 2.33 5.08 -1.58 0.72 114.58 122.02 2qx4 h GLU 199 Ca -0.03 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.23 2qx4 h GLU 199 Cb 1.39 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 30.63 2qx4 h GLU 199 CO 0.12 0.49 -0.27 -0.09 -1.00 0.00 0.00 179.01 178.26 2qx4 h ARG 200 N 0.22 -0.72 -0.47 2.33 2.43 -0.63 -1.28 114.38 116.27 2qx4 h ARG 200 Ca 0.03 0.05 0.14 0.00 -0.81 0.00 0.00 59.98 59.39 2qx4 h ARG 200 Cb 0.59 0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 30.28 2qx4 h ARG 200 CO 0.04 -0.48 0.46 0.87 -1.51 0.00 0.00 179.97 179.35 2qx4 h LYS 201 N -1.12 0.00 -0.21 0.20 1.57 -1.18 0.24 116.57 116.07 2qx4 h LYS 201 Ca -0.08 0.00 -0.13 0.00 -1.87 0.00 0.00 60.65 58.58 2qx4 h LYS 201 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 2qx4 h LYS 201 CO 0.13 0.00 -0.36 0.78 -0.57 0.00 0.00 179.45 179.42 2qx4 h GLY 202 N 0.00 0.67 1.70 3.86 0.00 -0.57 -1.20 103.07 107.53 2qx4 h GLY 202 Ca 0.22 -0.77 -0.13 0.00 0.00 0.00 0.00 47.33 46.65 2qx4 h GLY 202 CO -0.00 0.70 -0.49 -0.33 0.00 0.00 0.00 176.54 176.42 2qx4 h MET 203 N 0.30 0.33 -0.00 4.80 2.86 0.63 -0.50 114.93 123.35 2qx4 h MET 203 Ca 0.01 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2qx4 h MET 203 Cb 0.96 0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.63 2qx4 h MET 203 CO 0.08 0.74 0.00 0.28 1.06 0.00 0.00 176.91 179.08 2qx4 h VAL 204 N 0.26 1.14 -0.86 -2.22 2.07 -1.23 -2.33 116.25 113.09 2qx4 h VAL 204 Ca 0.01 -0.41 0.07 0.00 0.82 0.00 0.00 66.70 67.20 2qx4 h VAL 204 Cb 0.95 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 32.07 2qx4 h VAL 204 CO 0.08 0.11 0.52 0.00 0.02 0.00 0.00 177.57 178.30 2qx4 h ALA 205 N 0.83 1.20 -0.55 1.67 0.00 -1.01 -1.27 119.26 120.13 2qx4 h ALA 205 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2qx4 h ALA 205 Cb 0.17 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 2qx4 h ALA 205 CO -0.00 0.23 0.26 0.00 0.00 0.00 0.00 179.25 179.74 2qx4 h ALA 206 N 1.43 1.43 -0.16 0.00 0.00 -0.86 0.24 119.26 121.34 2qx4 h ALA 206 Ca 0.39 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.13 2qx4 h ALA 206 Cb 0.24 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 2qx4 h ALA 206 CO -0.20 0.45 -0.11 2.35 0.00 0.00 0.00 179.25 181.74 2qx4 h TRP 207 N 0.77 0.42 -0.40 0.00 -0.00 -0.74 -0.36 115.95 115.64 2qx4 h TRP 207 Ca 0.19 -0.11 0.01 0.00 -0.00 0.00 0.00 58.89 58.97 2qx4 h TRP 207 Cb 0.08 -0.09 -0.02 0.00 -0.00 0.00 0.00 29.16 29.13 2qx4 h TRP 207 CO 0.01 0.71 0.26 1.03 -0.00 0.00 0.00 178.44 180.44 2qx4 h SER 208 N 0.00 0.44 -0.49 2.65 0.87 -0.88 -0.94 113.55 115.20 2qx4 h SER 208 Ca 0.03 -0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2qx4 h SER 208 Cb 0.62 -0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.45 2qx4 h SER 208 CO 0.03 0.32 0.32 1.56 -0.53 0.00 0.00 176.83 178.53 2qx4 h GLN 209 N 0.53 0.62 -0.91 2.24 4.20 -0.90 -2.36 115.11 118.53 2qx4 h GLN 209 Ca 0.15 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.83 2qx4 h GLN 209 Cb -0.04 -0.14 -0.05 0.00 0.30 0.00 0.00 27.48 27.55 2qx4 h GLN 209 CO -0.04 0.41 0.61 -0.09 -0.67 0.00 0.00 178.83 179.05 2qx4 h ARG 210 N 0.64 1.20 0.00 1.46 2.43 -0.65 -1.98 114.38 117.48 2qx4 h ARG 210 Ca 0.18 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 59.28 2qx4 h ARG 210 Cb -0.05 -0.27 -0.00 0.00 -0.42 0.00 0.00 29.97 29.23 2qx4 h ARG 210 CO -0.05 0.79 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.11 2qx4 h LEU 211 N 1.24 0.00 -1.54 3.80 3.38 -0.66 -2.05 115.31 119.48 2qx4 h LEU 211 Ca 0.33 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.36 2qx4 h LEU 211 Cb -0.14 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2qx4 h LEU 211 CO -0.07 0.02 0.39 1.56 0.09 0.00 0.00 178.44 180.43 2qx4 h GLN 212 N 0.00 0.55 0.00 1.13 4.20 -1.06 -2.91 115.11 117.03 2qx4 h GLN 212 Ca -0.00 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.67 2qx4 h GLN 212 Cb 0.07 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2qx4 h GLN 212 CO 0.00 0.37 -0.30 0.25 -0.67 0.00 0.00 178.83 178.48 2qx4 n THR 213 N -4.47 2.03 -0.18 -0.54 -2.24 -0.80 -4.80 114.28 103.27 2qx4 n THR 213 Ca 0.08 -2.78 0.09 0.00 -2.27 0.00 0.00 64.05 59.18 2qx4 n THR 213 Cb 0.23 -0.22 0.40 0.00 -2.10 0.00 0.00 70.33 68.64 2qx4 n THR 213 CO 0.00 0.00 0.00 -0.29 -0.57 0.00 0.00 175.07 174.21 2qx4 h ILE 214 N 0.72 0.94 0.00 2.28 6.09 -1.28 -0.98 117.51 125.28 2qx4 h ILE 214 Ca -0.00 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 63.26 2qx4 h ILE 214 Cb 1.02 0.23 0.00 0.00 0.47 0.00 0.00 36.82 38.54 2qx4 h ILE 214 CO 0.00 0.12 0.00 0.79 -3.07 0.00 0.00 178.15 175.99 2qx4 n TRP 215 N -4.50 0.00 0.62 2.19 7.02 -1.26 -2.52 117.44 118.99 2qx4 n TRP 215 Ca 0.12 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.71 2qx4 n TRP 215 Cb 0.33 -0.44 0.02 0.00 -2.42 0.00 0.00 31.31 28.80 2qx4 n TRP 215 CO 0.00 0.00 0.00 1.63 -2.02 0.00 0.00 177.69 177.30 2qx4 n LYS 216 N -1.44 0.25 -1.46 -0.99 4.01 -0.38 -4.97 118.16 113.18 2qx4 n LYS 216 Ca 0.07 -0.01 -0.33 0.00 -0.51 0.00 0.00 58.31 57.53 2qx4 n LYS 216 Cb 0.24 -1.58 0.08 0.00 -0.51 0.00 0.00 35.03 33.26 2qx4 n LYS 216 CO 0.00 0.00 0.00 -1.21 -1.11 0.00 0.00 177.40 175.08 2qx4 s GLU 217 N -3.17 2.31 -0.09 1.97 2.02 -1.05 -5.05 118.70 115.64 2qx4 s GLU 217 Ca 0.04 1.49 -0.01 0.00 0.02 0.00 0.00 54.97 56.52 2qx4 s GLU 217 Cb 0.15 -1.88 -0.03 0.00 0.10 0.00 0.00 34.13 32.47 2qx4 s GLU 217 CO 0.80 -1.65 -0.04 -1.21 0.02 0.00 0.00 175.26 173.18 2qx4 s GLU 218 N -4.22 2.96 0.39 1.61 2.02 -1.26 -5.09 118.70 115.10 2qx4 s GLU 218 Ca 0.68 -0.49 -0.27 0.00 0.02 0.00 0.00 54.97 54.91 2qx4 s GLU 218 Cb -0.23 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.20 2qx4 s GLU 218 CO 0.47 0.62 1.39 -2.14 0.02 0.00 0.00 175.26 175.61 2qx4 s PRO 219 N -0.67 4.05 0.83 0.39 0.02 -1.26 -4.71 135.00 133.64 2qx4 s PRO 219 Ca 0.10 2.35 -0.10 0.00 0.02 0.00 0.00 61.00 63.37 2qx4 s PRO 219 Cb -0.12 -2.88 0.09 0.00 0.02 0.00 0.00 34.50 31.62 2qx4 s PRO 219 CO 0.02 -0.50 1.11 0.96 -0.33 0.00 0.00 177.00 178.26 2qx4 s ILE 220 N -1.18 2.85 -0.97 2.83 -4.36 0.40 -4.90 121.20 115.87 2qx4 s ILE 220 Ca 0.54 0.28 -0.20 0.00 -0.26 0.00 0.00 60.65 61.01 2qx4 s ILE 220 Cb -0.42 -2.59 0.10 0.00 1.25 0.00 0.00 42.46 40.80 2qx4 s ILE 220 CO 0.56 -0.36 1.26 -2.16 0.24 0.00 0.00 174.94 174.48 2qx4 s PRO 221 N -4.81 3.61 -0.70 0.37 0.04 -1.26 -4.71 135.00 127.54 2qx4 s PRO 221 Ca 0.63 -1.53 -0.26 0.00 0.04 0.00 0.00 61.00 59.89 2qx4 s PRO 221 Cb -0.19 -5.10 -0.06 0.00 0.04 0.00 0.00 34.50 29.18 2qx4 s PRO 221 CO 0.57 -1.95 2.13 0.00 0.04 0.00 0.00 177.00 177.79 2qx4 s THR 223 N 11.33 0.09 0.39 0.00 -4.23 -1.26 -5.02 115.64 116.93 2qx4 s THR 223 Ca 0.81 -1.38 0.06 0.00 -1.18 0.00 0.00 61.69 59.99 2qx4 s THR 223 Cb -0.12 -1.75 0.27 0.00 1.34 0.00 0.00 72.50 72.24 2qx4 s THR 223 CO 0.14 -0.39 2.03 0.00 -0.54 0.00 0.00 174.62 175.85 2qx4 h ALA 224 N 2.62 1.67 -0.30 3.99 0.00 -2.00 -2.16 119.26 123.07 2qx4 h ALA 224 Ca -0.32 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.53 2qx4 h ALA 224 Cb 1.22 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.80 2qx4 h ALA 224 CO 0.51 0.29 0.08 1.25 0.00 0.00 0.00 179.25 181.38 2qx4 h HIS 225 N 0.67 0.50 -0.68 0.00 -0.00 -1.95 -0.15 115.15 113.54 2qx4 h HIS 225 Ca 0.20 -0.06 0.07 0.00 -0.00 0.00 0.00 60.37 60.59 2qx4 h HIS 225 Cb -0.02 -0.14 -0.06 0.00 -0.00 0.00 0.00 27.41 27.19 2qx4 h HIS 225 CO -0.00 0.53 0.36 2.35 -0.00 0.00 0.00 177.93 181.18 2qx4 h TRP 226 N 0.33 0.66 0.04 5.26 7.01 -1.63 0.41 115.95 128.03 2qx4 h TRP 226 Ca 0.10 0.03 -0.25 0.00 2.11 0.00 0.00 58.89 60.87 2qx4 h TRP 226 Cb 0.28 -0.20 0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2qx4 h TRP 226 CO 0.01 0.29 -1.01 0.45 -2.79 0.00 0.00 178.44 175.39 2qx4 h HIS 227 N 0.65 0.94 0.00 2.65 3.86 -1.29 -3.42 115.15 118.54 2qx4 h HIS 227 Ca 0.32 -0.54 -0.09 0.00 -1.16 0.00 0.00 60.37 58.90 2qx4 h HIS 227 Cb 0.26 -0.10 -0.02 0.00 1.06 0.00 0.00 27.41 28.62 2qx4 h HIS 227 CO -0.09 1.38 -1.34 1.19 0.86 0.00 0.00 177.93 179.93 2qx4 n PHE 228 N -3.92 0.00 -0.21 2.45 3.72 -0.09 -4.10 117.46 115.31 2qx4 n PHE 228 Ca -0.12 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.06 2qx4 n PHE 228 Cb 0.87 -0.23 0.22 0.00 -0.94 0.00 0.00 39.48 39.40 2qx4 n PHE 228 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qx4 n GLY 229 N 3.07 -3.59 0.86 1.37 0.00 0.14 -5.02 105.19 102.03 2qx4 n GLY 229 Ca -0.10 -1.16 0.11 0.00 0.00 0.00 0.00 46.02 44.86 2qx4 n GLY 229 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14