#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qxx s LEU 2 N 0.00 4.28 0.04 -0.89 2.96 -1.26 -1.83 118.68 121.97 2qxx s LEU 2 Ca 0.00 0.36 -0.30 0.00 -0.22 0.00 0.00 54.13 53.96 2qxx s LEU 2 Cb 0.00 -2.13 -0.06 0.00 0.50 0.00 0.00 46.19 44.50 2qxx s LEU 2 CO 0.00 0.24 1.38 -0.76 -1.32 0.00 0.00 176.35 175.89 2qxx s LEU 3 N -0.08 4.34 0.94 -0.68 1.43 -0.15 -5.00 118.68 119.47 2qxx s LEU 3 Ca 0.12 2.17 -0.12 0.00 -1.03 0.00 0.00 54.13 55.26 2qxx s LEU 3 Cb -0.12 -3.57 0.15 0.00 0.03 0.00 0.00 46.19 42.69 2qxx s LEU 3 CO 0.01 -0.68 1.09 -0.94 0.23 0.00 0.00 176.35 176.06 2qxx s SER 4 N 1.60 3.11 0.29 2.29 1.04 -1.26 -4.45 113.70 116.32 2qxx s SER 4 Ca 0.64 1.38 0.03 0.00 0.48 0.00 0.00 55.95 58.47 2qxx s SER 4 Cb -0.33 -2.05 0.71 0.00 0.10 0.00 0.00 66.02 64.46 2qxx s SER 4 CO 0.28 -2.85 1.68 -2.24 0.98 0.00 0.00 173.24 171.09 2qxx h ASP 5 N -1.70 0.21 -0.39 7.02 3.04 -1.38 -0.70 116.42 122.53 2qxx h ASP 5 Ca -0.51 0.17 -0.06 0.00 -3.24 0.00 0.00 57.03 53.39 2qxx h ASP 5 Cb 1.30 0.18 -0.01 0.00 -1.04 0.00 0.00 39.33 39.76 2qxx h ASP 5 CO 0.56 -0.06 0.02 -0.09 -2.04 0.00 0.00 179.24 177.63 2qxx h ARG 6 N 0.33 0.67 -0.11 4.15 2.43 -1.90 -1.45 114.38 118.49 2qxx h ARG 6 Ca 0.55 -0.20 -0.17 0.00 -0.81 0.00 0.00 59.98 59.35 2qxx h ARG 6 Cb 1.07 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.55 2qxx h ARG 6 CO -0.57 0.75 -0.64 -0.44 -1.51 0.00 0.00 179.97 177.56 2qxx h ASP 7 N 0.50 0.49 -0.52 -3.80 3.32 -1.80 -0.83 116.42 113.79 2qxx h ASP 7 Ca 0.11 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.90 2qxx h ASP 7 Cb 0.43 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 39.80 2qxx h ASP 7 CO 0.02 1.01 0.29 -0.07 -1.72 0.00 0.00 179.24 178.76 2qxx h LEU 8 N 0.31 0.45 -1.07 1.55 3.38 -1.07 -0.81 115.31 118.06 2qxx h LEU 8 Ca -0.01 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2qxx h LEU 8 Cb 1.19 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2qxx h LEU 8 CO 0.11 0.32 0.23 0.03 0.09 0.00 0.00 178.44 179.21 2qxx h ARG 9 N 0.57 0.89 -0.45 1.13 3.08 -0.92 -2.08 114.38 116.60 2qxx h ARG 9 Ca 0.22 -0.15 -0.10 0.00 0.07 0.00 0.00 59.98 60.02 2qxx h ARG 9 Cb 0.06 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2qxx h ARG 9 CO -0.12 0.74 -0.11 0.00 -1.07 0.00 0.00 179.97 179.42 2qxx h ALA 10 N 1.38 0.97 0.00 0.04 0.00 -0.73 0.13 119.26 121.05 2qxx h ALA 10 Ca 0.20 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2qxx h ALA 10 Cb 0.19 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 2qxx h ALA 10 CO -0.02 0.61 -0.47 0.93 0.00 0.00 0.00 179.25 180.31 2qxx h GLU 11 N 0.73 0.00 0.01 0.00 4.39 -0.83 -1.17 114.58 117.71 2qxx h GLU 11 Ca 0.12 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.82 2qxx h GLU 11 Cb 0.60 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.25 2qxx h GLU 11 CO 0.04 0.47 -0.00 0.82 -1.16 0.00 0.00 179.01 179.18 2qxx h ILE 12 N 0.00 1.50 0.00 3.13 2.04 -1.06 -0.76 117.51 122.36 2qxx h ILE 12 Ca -0.00 -2.06 -0.02 0.00 1.00 0.00 0.00 64.86 63.77 2qxx h ILE 12 Cb 0.85 2.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.73 2qxx h ILE 12 CO 0.06 0.50 -0.11 0.77 0.00 0.00 0.00 178.15 179.37 2qxx h SER 13 N -0.97 0.00 1.28 1.72 4.64 -0.74 -1.25 113.55 118.23 2qxx h SER 13 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2qxx h SER 13 Cb 0.82 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.91 2qxx h SER 13 CO 0.00 0.11 0.00 -1.54 -0.87 0.00 0.00 176.83 174.53 2qxx n SER 14 N -4.18 0.64 0.00 4.97 3.41 -0.44 -4.91 113.62 113.12 2qxx n SER 14 Ca -0.03 0.57 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 2qxx n SER 14 Cb 0.19 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2qxx n SER 14 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2qxx n GLY 15 N 1.15 0.66 0.15 5.00 0.00 -0.47 -4.93 105.19 106.75 2qxx n GLY 15 Ca 0.05 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.99 2qxx n GLY 15 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qxx h ARG 16 N 1.94 0.25 -5.03 1.61 3.08 -1.54 -3.42 114.38 111.28 2qxx h ARG 16 Ca 0.00 -0.23 -0.67 0.00 0.07 0.00 0.00 59.98 59.15 2qxx h ARG 16 Cb 0.00 0.05 -0.32 0.00 0.08 0.00 0.00 29.97 29.78 2qxx h ARG 16 CO 0.00 0.90 -0.81 -1.17 -1.07 0.00 0.00 179.97 177.83 2qxx s LEU 17 N -7.69 2.46 -0.12 3.04 2.96 -0.38 -3.41 118.68 115.54 2qxx s LEU 17 Ca -0.04 -0.59 -0.14 0.00 -0.22 0.00 0.00 54.13 53.14 2qxx s LEU 17 Cb 0.11 -1.58 -0.05 0.00 0.50 0.00 0.00 46.19 45.17 2qxx s LEU 17 CO 0.82 -0.02 0.34 -0.83 -1.32 0.00 0.00 176.35 175.35 2qxx s GLY 18 N 1.35 2.30 -0.07 7.98 0.00 0.64 -4.35 107.32 115.17 2qxx s GLY 18 Ca 0.05 -0.36 -0.02 0.00 0.00 0.00 0.00 44.72 44.38 2qxx s GLY 18 CO -0.09 0.38 0.06 -0.42 0.00 0.00 0.00 173.10 173.03 2qxx s ILE 19 N 0.07 -0.02 -0.18 0.90 1.01 -1.26 -0.50 121.20 121.22 2qxx s ILE 19 Ca 0.20 0.28 -0.01 0.00 0.00 0.00 0.00 60.65 61.12 2qxx s ILE 19 Cb -0.14 -0.28 0.05 0.00 0.01 0.00 0.00 42.46 42.09 2qxx s ILE 19 CO 0.07 0.12 -0.02 -0.62 0.00 0.00 0.00 174.94 174.49 2qxx s ASP 20 N 2.13 2.93 0.43 3.58 2.15 -0.10 -2.34 116.67 125.45 2qxx s ASP 20 Ca 0.04 -0.75 -0.21 0.00 0.43 0.00 0.00 52.55 52.06 2qxx s ASP 20 Cb -0.13 -0.82 -0.10 0.00 -0.30 0.00 0.00 42.92 41.57 2qxx s ASP 20 CO -0.04 -0.23 0.97 -2.16 -0.17 0.00 0.00 175.17 173.53 2qxx s PRO 21 N 1.69 4.18 -0.25 4.34 0.04 -1.26 0.01 135.00 143.75 2qxx s PRO 21 Ca -0.01 1.19 -0.11 0.00 0.04 0.00 0.00 61.00 62.11 2qxx s PRO 21 Cb -0.16 -2.22 -0.05 0.00 0.04 0.00 0.00 34.50 32.11 2qxx s PRO 21 CO -0.07 -0.08 0.19 0.12 0.04 0.00 0.00 177.00 177.20 2qxx s PHE 22 N -2.09 3.29 -0.24 0.56 5.36 -0.99 -4.88 117.98 118.99 2qxx s PHE 22 Ca 0.62 0.23 -0.00 0.00 -0.96 0.00 0.00 56.93 56.81 2qxx s PHE 22 Cb -0.11 -2.33 0.03 0.00 -0.34 0.00 0.00 43.02 40.27 2qxx s PHE 22 CO 0.15 -0.01 -0.09 0.34 -1.46 0.00 0.00 175.22 174.16 2qxx s ASP 23 N 1.26 4.20 0.40 6.13 -1.08 -1.26 -4.99 116.67 121.33 2qxx s ASP 23 Ca 0.08 -0.96 0.15 0.00 -0.52 0.00 0.00 52.55 51.30 2qxx s ASP 23 Cb -0.14 -1.62 0.82 0.00 -1.46 0.00 0.00 42.92 40.52 2qxx s ASP 23 CO 0.07 -0.13 1.87 -0.78 0.52 0.00 0.00 175.17 176.71 2qxx h ASP 24 N 7.96 0.00 0.10 -0.34 3.58 -2.00 -1.67 116.42 124.05 2qxx h ASP 24 Ca -0.31 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.14 2qxx h ASP 24 Cb 1.10 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.15 2qxx h ASP 24 CO 0.56 0.32 0.00 0.35 -2.88 0.00 0.00 179.24 177.59 2qxx n THR 25 N -4.06 1.73 1.12 2.25 -2.24 -1.26 -1.95 114.28 109.87 2qxx n THR 25 Ca -0.02 0.47 0.12 0.00 -2.27 0.00 0.00 64.05 62.36 2qxx n THR 25 Cb 0.37 -1.43 0.29 0.00 -2.10 0.00 0.00 70.33 67.47 2qxx n THR 25 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2qxx n LEU 26 N -1.58 0.81 -4.77 3.22 4.32 -0.63 -4.93 117.00 113.45 2qxx n LEU 26 Ca 0.01 -0.16 -0.40 0.00 -0.02 0.00 0.00 56.01 55.43 2qxx n LEU 26 Cb 0.04 -0.17 -0.03 0.00 -1.62 0.00 0.00 43.42 41.63 2qxx n LEU 26 CO 0.03 0.17 0.87 -0.69 -1.22 0.00 0.00 177.39 176.55 2qxx s VAL 27 N -2.74 3.14 0.40 4.08 1.01 -0.82 -1.04 120.40 124.42 2qxx s VAL 27 Ca 0.18 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.30 2qxx s VAL 27 Cb 0.18 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.83 2qxx s VAL 27 CO 0.61 0.23 0.05 -1.10 0.00 0.00 0.00 175.10 174.89 2qxx s GLN 28 N -1.78 1.89 0.46 2.72 -1.52 0.28 -4.90 119.66 116.82 2qxx s GLN 28 Ca 0.49 -2.12 0.30 0.00 -1.95 0.00 0.00 55.36 52.08 2qxx s GLN 28 Cb -0.34 -1.10 1.39 0.00 -0.22 0.00 0.00 33.01 32.74 2qxx s GLN 28 CO 0.44 -0.27 1.71 -1.35 -0.25 0.00 0.00 175.29 175.58 2qxx h PRO 29 N 1.81 0.15 0.00 2.91 0.11 -1.98 -3.01 132.00 131.99 2qxx h PRO 29 Ca -0.41 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2qxx h PRO 29 Cb 1.26 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.34 2qxx h PRO 29 CO 0.70 0.10 -0.19 0.45 -0.21 0.00 0.00 178.00 178.84 2qxx n SER 30 N -4.47 0.00 -3.63 -2.05 2.88 -1.26 -1.55 113.62 103.54 2qxx n SER 30 Ca 0.31 -1.39 -0.02 0.00 -1.33 0.00 0.00 58.87 56.45 2qxx n SER 30 Cb 1.27 -0.08 -0.00 0.00 -0.75 0.00 0.00 64.21 64.65 2qxx n SER 30 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2qxx s SER 31 N -0.39 -0.09 -0.09 -3.46 1.04 -1.14 -4.64 113.70 104.93 2qxx s SER 31 Ca 0.00 -0.40 0.03 0.00 0.48 0.00 0.00 55.95 56.06 2qxx s SER 31 Cb 0.00 0.40 0.01 0.00 0.10 0.00 0.00 66.02 66.53 2qxx s SER 31 CO 0.00 -0.76 -0.19 -0.51 0.98 0.00 0.00 173.24 172.76 2qxx s ILE 32 N -2.75 1.69 0.38 -1.02 2.07 0.05 0.10 121.20 121.71 2qxx s ILE 32 Ca 0.16 -0.79 -0.27 0.00 -1.41 0.00 0.00 60.65 58.34 2qxx s ILE 32 Cb -0.00 -1.49 -0.09 0.00 0.13 0.00 0.00 42.46 41.01 2qxx s ILE 32 CO 0.02 0.48 1.33 -1.81 -1.91 0.00 0.00 174.94 173.04 2qxx s ASP 33 N 0.55 6.43 0.33 4.50 1.01 -0.21 -0.02 116.67 129.26 2qxx s ASP 33 Ca -0.15 2.71 0.10 0.00 0.71 0.00 0.00 52.55 55.92 2qxx s ASP 33 Cb -0.17 -2.65 -0.06 0.00 1.01 0.00 0.00 42.92 41.06 2qxx s ASP 33 CO 0.05 -0.77 -0.09 0.68 0.21 0.00 0.00 175.17 175.25 2qxx s VAL 34 N -1.21 2.42 0.19 -1.27 -7.23 0.32 -4.84 120.40 108.79 2qxx s VAL 34 Ca 0.54 -2.19 0.11 0.00 -1.81 0.00 0.00 61.98 58.63 2qxx s VAL 34 Cb -0.40 -2.62 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2qxx s VAL 34 CO 0.52 -0.25 -0.20 -0.13 -0.31 0.00 0.00 175.10 174.73 2qxx s ARG 35 N -3.61 1.66 0.04 4.82 0.52 -1.26 -0.55 118.95 120.57 2qxx s ARG 35 Ca 0.32 -1.45 -0.25 0.00 -0.52 0.00 0.00 55.73 53.84 2qxx s ARG 35 Cb -0.00 -1.93 -0.05 0.00 0.52 0.00 0.00 34.95 33.48 2qxx s ARG 35 CO 0.17 0.41 0.75 -1.17 0.02 0.00 0.00 175.30 175.48 2qxx s LEU 36 N -2.70 4.45 0.00 2.53 2.96 0.21 -0.20 118.68 125.94 2qxx s LEU 36 Ca 0.22 1.43 -0.09 0.00 -0.22 0.00 0.00 54.13 55.46 2qxx s LEU 36 Cb -0.08 -3.21 0.13 0.00 0.50 0.00 0.00 46.19 43.53 2qxx s LEU 36 CO 0.11 0.02 0.76 -0.67 -1.32 0.00 0.00 176.35 175.25 2qxx n ASP 37 N 2.79 0.06 -1.48 3.68 -0.08 0.72 0.89 116.55 123.13 2qxx n ASP 37 Ca -0.03 -1.28 0.08 0.00 -1.51 0.00 0.00 54.79 52.05 2qxx n ASP 37 Cb 0.50 -0.58 0.35 0.00 2.34 0.00 0.00 41.12 43.73 2qxx n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2qxx s LEU 39 N -2.66 2.42 0.02 0.00 1.43 -1.26 -4.05 118.68 114.57 2qxx s LEU 39 Ca 0.49 -0.48 0.03 0.00 -1.03 0.00 0.00 54.13 53.14 2qxx s LEU 39 Cb 0.38 -1.54 -0.01 0.00 0.03 0.00 0.00 46.19 45.04 2qxx s LEU 39 CO 0.14 0.10 -0.09 -0.36 0.23 0.00 0.00 176.35 176.37 2qxx s PHE 40 N 0.72 0.78 -0.19 0.29 0.40 0.18 -3.81 117.98 116.36 2qxx s PHE 40 Ca -0.07 -0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 55.97 2qxx s PHE 40 Cb -0.16 -0.48 -0.01 0.00 0.51 0.00 0.00 43.02 42.89 2qxx s PHE 40 CO 0.01 -0.02 -0.08 1.03 0.70 0.00 0.00 175.22 176.86 2qxx s ARG 41 N -0.74 3.33 0.01 0.44 0.52 0.01 0.12 118.95 122.64 2qxx s ARG 41 Ca -0.01 -0.66 -0.00 0.00 -0.52 0.00 0.00 55.73 54.54 2qxx s ARG 41 Cb -0.06 -2.86 -0.04 0.00 0.52 0.00 0.00 34.95 32.52 2qxx s ARG 41 CO 0.00 -0.09 0.09 0.14 0.02 0.00 0.00 175.30 175.46 2qxx s VAL 42 N 1.16 4.77 -1.01 3.52 -7.23 -0.58 -1.84 120.40 119.20 2qxx s VAL 42 Ca 0.02 -0.43 -0.18 0.00 -1.81 0.00 0.00 61.98 59.57 2qxx s VAL 42 Cb -0.14 -3.20 0.13 0.00 0.56 0.00 0.00 36.38 33.72 2qxx s VAL 42 CO -0.02 0.32 1.24 -0.36 -0.31 0.00 0.00 175.10 175.96 2qxx s PHE 43 N -1.24 3.14 -0.06 2.82 0.40 -1.26 -1.22 117.98 120.56 2qxx s PHE 43 Ca 0.24 -1.51 0.17 0.00 -0.60 0.00 0.00 56.93 55.23 2qxx s PHE 43 Cb -0.12 -4.34 0.33 0.00 0.51 0.00 0.00 43.02 39.40 2qxx s PHE 43 CO 0.16 -1.52 1.15 0.27 0.70 0.00 0.00 175.22 175.97 2qxx n ASN 44 N 6.61 1.09 -4.77 1.36 6.94 -1.25 -5.04 115.26 120.21 2qxx n ASN 44 Ca 0.28 -2.54 -0.39 0.00 -0.02 0.00 0.00 54.58 51.91 2qxx n ASN 44 Cb 0.48 -0.34 -0.03 0.00 -2.36 0.00 0.00 39.78 37.53 2qxx n ASN 44 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 2qxx s ASN 45 N -2.17 6.83 -0.08 0.53 3.84 -1.25 -4.97 114.94 117.67 2qxx s ASN 45 Ca 0.28 2.40 0.12 0.00 0.21 0.00 0.00 52.86 55.87 2qxx s ASN 45 Cb 0.30 -2.63 0.18 0.00 -0.55 0.00 0.00 41.25 38.55 2qxx s ASN 45 CO -0.09 -0.47 1.07 0.35 -2.79 0.00 0.00 177.10 175.17 2qxx n THR 46 N 0.60 1.25 -0.02 -5.21 -2.24 -1.26 -4.81 114.28 102.58 2qxx n THR 46 Ca 0.02 -1.48 -0.03 0.00 -2.27 0.00 0.00 64.05 60.28 2qxx n THR 46 Cb 0.45 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2qxx n THR 46 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2qxx n ARG 47 N -0.93 0.86 -2.49 -0.78 1.74 -1.26 -5.05 116.66 108.76 2qxx n ARG 47 Ca 0.10 0.02 -0.35 0.00 -0.77 0.00 0.00 57.85 56.85 2qxx n ARG 47 Cb 0.61 -1.10 -0.03 0.00 -1.02 0.00 0.00 32.46 30.91 2qxx n ARG 47 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 2qxx s TYR 48 N -2.10 3.04 -0.36 -1.55 2.02 -1.26 -4.96 117.35 112.18 2qxx s TYR 48 Ca -0.06 1.59 0.23 0.00 -0.37 0.00 0.00 57.07 58.46 2qxx s TYR 48 Cb 0.02 -3.14 0.15 0.00 -0.40 0.00 0.00 41.96 38.59 2qxx s TYR 48 CO 0.13 -0.90 1.22 1.79 -1.57 0.00 0.00 175.55 176.23 2qxx h THR 49 N 1.77 0.00 -1.48 -0.71 1.35 -2.00 -3.49 112.91 108.36 2qxx h THR 49 Ca -0.49 -0.89 0.30 0.00 -0.55 0.00 0.00 66.41 64.78 2qxx h THR 49 Cb 1.22 1.52 -0.14 0.00 -1.73 0.00 0.00 68.15 69.03 2qxx h THR 49 CO 0.60 0.00 0.82 -1.38 -0.25 0.00 0.00 175.52 175.31 2qxx s HIS 50 N -3.29 -0.07 -0.18 4.73 -3.43 -1.26 -5.16 115.29 106.64 2qxx s HIS 50 Ca 0.02 -0.03 -0.10 0.00 -0.80 0.00 0.00 55.06 54.15 2qxx s HIS 50 Cb 0.09 0.54 -0.05 0.00 -1.43 0.00 0.00 32.58 31.74 2qxx s HIS 50 CO 0.75 -0.27 0.17 0.42 -2.00 0.00 0.00 174.74 173.81 2qxx s ILE 51 N -2.45 5.39 -0.25 -5.38 1.01 -1.26 -5.08 121.20 113.19 2qxx s ILE 51 Ca 0.13 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2qxx s ILE 51 Cb 0.03 -3.50 0.07 0.00 0.01 0.00 0.00 42.46 39.07 2qxx s ILE 51 CO -0.04 0.46 -0.00 -0.62 0.00 0.00 0.00 174.94 174.74 2qxx s ASP 52 N 0.16 3.77 0.64 3.58 -1.08 -1.26 -5.01 116.67 117.47 2qxx s ASP 52 Ca 0.11 -1.26 0.37 0.00 -0.52 0.00 0.00 52.55 51.24 2qxx s ASP 52 Cb -0.12 -1.05 2.06 0.00 -1.46 0.00 0.00 42.92 42.36 2qxx s ASP 52 CO 0.00 -0.29 2.23 -0.65 0.52 0.00 0.00 175.17 176.99 2qxx h PRO 53 N 8.01 0.00 0.00 4.34 0.11 -1.98 0.14 132.00 142.62 2qxx h PRO 53 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2qxx h PRO 53 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 2qxx h PRO 53 CO 0.42 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.21 2qxx n ALA 54 N -2.14 2.23 -2.50 -0.75 0.00 -1.26 -2.84 120.51 113.24 2qxx n ALA 54 Ca -0.02 -0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.02 2qxx n ALA 54 Cb 0.17 -1.42 -0.11 0.00 0.00 0.00 0.00 19.45 18.08 2qxx n ALA 54 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qxx s LYS 55 N -2.88 1.88 -0.10 0.00 1.02 0.48 -4.71 119.74 115.43 2qxx s LYS 55 Ca 0.16 -1.12 -0.28 0.00 0.02 0.00 0.00 55.97 54.74 2qxx s LYS 55 Cb 0.17 -2.16 -0.02 0.00 -0.52 0.00 0.00 37.83 35.31 2qxx s LYS 55 CO 0.45 0.49 0.94 -1.14 -0.92 0.00 0.00 175.35 175.18 2qxx s GLN 56 N -2.06 4.42 -0.39 1.68 0.74 -1.26 -4.63 119.66 118.16 2qxx s GLN 56 Ca 0.18 1.28 0.09 0.00 0.05 0.00 0.00 55.36 56.96 2qxx s GLN 56 Cb -0.11 -3.53 0.27 0.00 1.10 0.00 0.00 33.01 30.75 2qxx s GLN 56 CO 0.10 -0.25 0.59 1.04 -0.55 0.00 0.00 175.29 176.22 2qxx n GLN 57 N 4.78 0.78 0.29 1.67 6.02 -1.26 -4.96 117.38 124.69 2qxx n GLN 57 Ca 0.07 -3.20 0.17 0.00 -0.01 0.00 0.00 57.00 54.03 2qxx n GLN 57 Cb 0.49 -1.34 0.79 0.00 1.02 0.00 0.00 30.24 31.20 2qxx n GLN 57 CO 0.00 0.00 0.00 -0.44 -1.01 0.00 0.00 177.06 175.61 2qxx h ASP 58 N 3.75 0.00 -0.15 1.08 3.45 -1.93 -1.80 116.42 120.82 2qxx h ASP 58 Ca 0.07 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.53 2qxx h ASP 58 Cb 0.91 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.68 2qxx h ASP 58 CO 0.46 0.03 0.00 -0.62 -1.57 0.00 0.00 179.24 177.54 2qxx n GLU 59 N -3.17 1.48 -0.17 3.56 1.02 -1.26 -4.13 120.64 117.98 2qxx n GLU 59 Ca -0.00 -0.73 0.06 0.00 -0.02 0.00 0.00 57.16 56.46 2qxx n GLU 59 Cb 0.26 -1.28 0.35 0.00 -0.02 0.00 0.00 31.44 30.75 2qxx n GLU 59 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2qxx h LEU 60 N 1.34 0.66 -9.13 -4.62 5.85 -1.73 -3.42 115.31 104.26 2qxx h LEU 60 Ca 0.00 -0.00 -0.57 0.00 0.84 0.00 0.00 57.88 58.15 2qxx h LEU 60 Cb 0.30 -0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.04 2qxx h LEU 60 CO 0.00 0.44 -0.75 0.42 -0.34 0.00 0.00 178.44 178.20 2qxx s THR 61 N -5.67 2.29 -0.04 1.05 -4.23 -1.26 -3.80 115.64 103.98 2qxx s THR 61 Ca -0.10 -2.36 0.03 0.00 -1.18 0.00 0.00 61.69 58.08 2qxx s THR 61 Cb 0.19 -2.23 -0.03 0.00 1.34 0.00 0.00 72.50 71.77 2qxx s THR 61 CO 0.77 -0.45 -0.09 -0.44 -0.54 0.00 0.00 174.62 173.87 2qxx s SER 62 N -3.46 4.44 -0.05 3.99 0.01 -0.36 -4.91 113.70 113.37 2qxx s SER 62 Ca 0.28 -0.12 -0.27 0.00 1.31 0.00 0.00 55.95 57.15 2qxx s SER 62 Cb -0.04 -1.03 -0.03 0.00 0.21 0.00 0.00 66.02 65.13 2qxx s SER 62 CO 0.13 0.33 0.87 -0.22 0.41 0.00 0.00 173.24 174.76 2qxx s LEU 63 N -0.99 4.32 -0.03 2.44 2.96 -1.26 -1.52 118.68 124.60 2qxx s LEU 63 Ca 0.14 1.43 0.03 0.00 -0.22 0.00 0.00 54.13 55.50 2qxx s LEU 63 Cb -0.11 -3.36 0.00 0.00 0.50 0.00 0.00 46.19 43.22 2qxx s LEU 63 CO 0.03 -0.24 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.03 2qxx s VAL 64 N 1.14 0.91 -0.11 1.68 1.01 0.31 -4.97 120.40 120.36 2qxx s VAL 64 Ca 0.45 -0.42 -0.00 0.00 0.00 0.00 0.00 61.98 62.01 2qxx s VAL 64 Cb -0.19 -0.80 0.02 0.00 0.00 0.00 0.00 36.38 35.41 2qxx s VAL 64 CO 0.22 0.28 -0.09 -1.58 0.00 0.00 0.00 175.10 173.93 2qxx s GLN 65 N 0.22 1.65 0.64 2.72 0.74 -1.26 -0.64 119.66 123.73 2qxx s GLN 65 Ca -0.04 -0.31 -0.15 0.00 0.05 0.00 0.00 55.36 54.91 2qxx s GLN 65 Cb -0.10 -1.65 -0.01 0.00 1.10 0.00 0.00 33.01 32.36 2qxx s GLN 65 CO 0.01 -0.24 1.11 -1.25 -0.55 0.00 0.00 175.29 174.37 2qxx s PRO 66 N 1.60 2.90 0.21 1.67 0.04 -1.26 -4.95 135.00 135.22 2qxx s PRO 66 Ca 0.04 1.39 -0.32 0.00 0.04 0.00 0.00 61.00 62.15 2qxx s PRO 66 Cb -0.13 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.30 2qxx s PRO 66 CO -0.08 -1.17 1.29 0.28 0.04 0.00 0.00 177.00 177.37 2qxx n VAL 67 N -2.28 0.96 -1.63 -0.36 0.31 -1.26 -4.82 118.33 109.24 2qxx n VAL 67 Ca 0.10 -0.24 -0.55 0.00 -0.01 0.00 0.00 64.34 63.64 2qxx n VAL 67 Cb 0.52 -1.20 -0.07 0.00 -0.91 0.00 0.00 33.84 32.19 2qxx n VAL 67 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 2qxx n ASP 68 N 2.07 1.75 0.00 4.52 10.43 -1.26 -0.50 116.55 133.55 2qxx n ASP 68 Ca 0.13 1.11 0.00 0.00 2.57 0.00 0.00 54.79 58.60 2qxx n ASP 68 Cb 0.29 -1.13 0.00 0.00 1.84 0.00 0.00 41.12 42.11 2qxx n ASP 68 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2qxx n GLY 69 N 3.10 0.89 3.63 0.44 0.00 -1.26 -5.06 105.19 106.92 2qxx n GLY 69 Ca 0.22 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.96 2qxx n GLY 69 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2qxx s GLU 70 N -0.62 2.29 0.58 1.61 2.02 0.35 -5.12 118.70 119.80 2qxx s GLU 70 Ca 0.00 -1.07 -0.07 0.00 0.02 0.00 0.00 54.97 53.85 2qxx s GLU 70 Cb 0.00 -2.34 -0.01 0.00 0.10 0.00 0.00 34.13 31.88 2qxx s GLU 70 CO 0.00 0.48 0.92 -1.25 0.02 0.00 0.00 175.26 175.43 2qxx s PRO 71 N -2.61 3.22 -0.09 0.39 0.04 -1.26 -4.68 135.00 130.00 2qxx s PRO 71 Ca 0.25 0.26 -0.15 0.00 0.04 0.00 0.00 61.00 61.40 2qxx s PRO 71 Cb -0.10 -2.23 -0.05 0.00 0.04 0.00 0.00 34.50 32.16 2qxx s PRO 71 CO 0.17 -0.58 0.39 0.12 0.04 0.00 0.00 177.00 177.13 2qxx s PHE 72 N -3.01 3.58 -0.37 0.56 5.36 0.06 -4.87 117.98 119.29 2qxx s PHE 72 Ca 0.53 0.83 -0.16 0.00 -0.96 0.00 0.00 56.93 57.16 2qxx s PHE 72 Cb -0.11 -2.38 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 2qxx s PHE 72 CO 0.48 0.38 0.40 0.08 -1.46 0.00 0.00 175.22 175.09 2qxx s VAL 73 N -0.08 5.13 -0.26 3.12 1.01 -1.26 -0.46 120.40 127.59 2qxx s VAL 73 Ca 0.22 -0.07 -0.19 0.00 0.00 0.00 0.00 61.98 61.94 2qxx s VAL 73 Cb -0.15 -3.91 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2qxx s VAL 73 CO 0.09 -0.22 0.58 -0.22 0.00 0.00 0.00 175.10 175.33 2qxx s LEU 74 N 2.09 4.07 0.37 3.92 2.96 -0.57 -4.93 118.68 126.59 2qxx s LEU 74 Ca 0.12 0.59 -0.07 0.00 -0.22 0.00 0.00 54.13 54.56 2qxx s LEU 74 Cb -0.17 -2.76 -0.05 0.00 0.50 0.00 0.00 46.19 43.71 2qxx s LEU 74 CO 0.12 -0.34 0.67 -1.00 -1.32 0.00 0.00 176.35 174.48 2qxx s HIS 75 N 2.43 3.49 0.20 5.38 3.76 -1.26 -1.06 115.29 128.23 2qxx s HIS 75 Ca 0.24 0.80 -0.32 0.00 -0.15 0.00 0.00 55.06 55.62 2qxx s HIS 75 Cb -0.15 -2.25 -0.13 0.00 1.11 0.00 0.00 32.58 31.16 2qxx s HIS 75 CO 0.09 -0.01 1.61 -2.30 -0.85 0.00 0.00 174.74 173.28 2qxx n PRO 76 N -1.34 2.42 -1.00 8.40 -0.02 -1.26 -1.12 135.00 141.09 2qxx n PRO 76 Ca -0.00 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 2qxx n PRO 76 Cb 0.54 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 2qxx n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxx n GLY 77 N 3.27 0.46 3.91 -1.23 0.00 0.69 -5.03 105.19 107.26 2qxx n GLY 77 Ca 0.15 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 2qxx n GLY 77 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2qxx s GLU 78 N -0.26 3.46 -0.07 1.61 2.12 -0.27 -4.91 118.70 120.37 2qxx s GLU 78 Ca 0.00 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.05 2qxx s GLU 78 Cb 0.00 -3.06 -0.00 0.00 0.26 0.00 0.00 34.13 31.32 2qxx s GLU 78 CO 0.00 0.64 -0.21 0.12 -0.54 0.00 0.00 175.26 175.27 2qxx s PHE 79 N -1.40 2.13 0.20 5.30 5.36 -1.26 -1.41 117.98 126.90 2qxx s PHE 79 Ca 0.30 -0.73 0.01 0.00 -0.96 0.00 0.00 56.93 55.55 2qxx s PHE 79 Cb -0.13 -1.43 -0.05 0.00 -0.34 0.00 0.00 43.02 41.08 2qxx s PHE 79 CO 0.22 -0.28 0.06 0.14 -1.46 0.00 0.00 175.22 173.90 2qxx s VAL 80 N 0.17 0.49 -0.16 3.12 -7.23 0.00 -4.55 120.40 112.25 2qxx s VAL 80 Ca -0.10 -1.98 -0.11 0.00 -1.81 0.00 0.00 61.98 57.98 2qxx s VAL 80 Cb -0.15 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 2qxx s VAL 80 CO 0.05 -0.24 0.19 -0.76 -0.31 0.00 0.00 175.10 174.03 2qxx s LEU 81 N -3.21 4.27 0.00 1.32 1.43 -0.76 -1.22 118.68 120.51 2qxx s LEU 81 Ca 0.31 0.40 0.00 0.00 -1.03 0.00 0.00 54.13 53.81 2qxx s LEU 81 Cb 0.07 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 44.10 2qxx s LEU 81 CO 0.08 0.22 0.00 0.61 0.23 0.00 0.00 176.35 177.49 2qxx n GLY 82 N 3.04 5.15 3.30 -3.19 0.00 0.14 -0.81 105.19 112.82 2qxx n GLY 82 Ca -0.16 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 2qxx n GLY 82 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2qxx s SER 83 N -0.41 -0.25 0.36 1.61 0.15 -1.25 -0.75 113.70 113.16 2qxx s SER 83 Ca 0.00 0.02 -0.25 0.00 0.70 0.00 0.00 55.95 56.42 2qxx s SER 83 Cb 0.00 0.39 -0.09 0.00 -1.71 0.00 0.00 66.02 64.61 2qxx s SER 83 CO 0.00 -0.60 1.02 0.42 1.20 0.00 0.00 173.24 175.28 2qxx s THR 84 N -2.13 3.86 0.20 6.45 -4.23 -0.15 -0.20 115.64 119.45 2qxx s THR 84 Ca -0.08 1.50 -0.07 0.00 -1.18 0.00 0.00 61.69 61.87 2qxx s THR 84 Cb -0.02 -3.81 0.07 0.00 1.34 0.00 0.00 72.50 70.07 2qxx s THR 84 CO -0.00 0.08 1.66 0.25 -0.54 0.00 0.00 174.62 176.07 2qxx h LEU 85 N 2.85 0.93 -9.98 4.79 6.46 -0.80 -3.40 115.31 116.16 2qxx h LEU 85 Ca -0.48 -0.28 -0.49 0.00 -0.12 0.00 0.00 57.88 56.52 2qxx h LEU 85 Cb 1.21 -0.25 0.03 0.00 -0.73 0.00 0.00 40.66 40.91 2qxx h LEU 85 CO 0.64 1.03 0.43 -1.61 -0.62 0.00 0.00 178.44 178.30 2qxx s GLU 86 N -4.89 4.05 -0.24 1.25 8.01 -1.26 -4.73 118.70 120.89 2qxx s GLU 86 Ca -0.11 1.57 -0.10 0.00 0.01 0.00 0.00 54.97 56.34 2qxx s GLU 86 Cb 0.14 -2.49 -0.05 0.00 -4.31 0.00 0.00 34.13 27.42 2qxx s GLU 86 CO 0.84 -0.25 0.15 -1.17 0.01 0.00 0.00 175.26 174.84 2qxx s LEU 87 N -2.76 4.04 -0.11 1.80 0.20 0.10 -4.41 118.68 117.54 2qxx s LEU 87 Ca 0.59 0.08 -0.04 0.00 0.69 0.00 0.00 54.13 55.45 2qxx s LEU 87 Cb -0.23 -2.08 -0.04 0.00 -0.43 0.00 0.00 46.19 43.41 2qxx s LEU 87 CO 0.29 0.06 0.07 -0.36 -0.29 0.00 0.00 176.35 176.12 2qxx s PHE 88 N 1.08 3.36 -0.18 5.38 0.40 0.08 -0.92 117.98 127.18 2qxx s PHE 88 Ca 0.07 0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.73 2qxx s PHE 88 Cb -0.14 -1.87 0.05 0.00 0.51 0.00 0.00 43.02 41.57 2qxx s PHE 88 CO 0.05 0.57 -0.05 0.99 0.70 0.00 0.00 175.22 177.48 2qxx s THR 89 N -0.88 1.17 0.03 0.64 2.01 0.34 -0.46 115.64 118.49 2qxx s THR 89 Ca 0.13 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.33 2qxx s THR 89 Cb -0.12 -1.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 2qxx s THR 89 CO 0.03 0.06 0.26 -0.76 -0.69 0.00 0.00 174.62 173.52 2qxx s LEU 90 N 1.59 4.36 0.93 4.42 1.02 0.29 -0.26 118.68 131.02 2qxx s LEU 90 Ca -0.01 0.50 -0.15 0.00 0.02 0.00 0.00 54.13 54.49 2qxx s LEU 90 Cb -0.16 -2.77 0.17 0.00 0.02 0.00 0.00 46.19 43.44 2qxx s LEU 90 CO -0.07 0.22 1.28 -2.16 0.02 0.00 0.00 176.35 175.63 2qxx s PRO 91 N -1.98 0.95 0.00 1.29 0.04 -1.22 -3.20 135.00 130.88 2qxx s PRO 91 Ca 0.30 -0.26 0.23 0.00 0.04 0.00 0.00 61.00 61.31 2qxx s PRO 91 Cb -0.13 -1.87 1.35 0.00 0.04 0.00 0.00 34.50 33.89 2qxx s PRO 91 CO 0.19 -2.23 1.75 -0.40 0.04 0.00 0.00 177.00 176.34 2qxx n ASP 92 N -3.68 0.00 -0.07 6.66 5.68 -1.26 -2.20 116.55 121.69 2qxx n ASP 92 Ca 0.13 -0.83 0.03 0.00 -0.50 0.00 0.00 54.79 53.62 2qxx n ASP 92 Cb 0.60 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.62 2qxx n ASP 92 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2qxx n ASN 93 N -0.96 1.54 -4.18 -1.12 6.94 -1.26 -0.38 115.26 115.84 2qxx n ASN 93 Ca 0.17 -2.11 -0.18 0.00 -0.02 0.00 0.00 54.58 52.43 2qxx n ASN 93 Cb 0.08 -0.13 -0.12 0.00 -2.36 0.00 0.00 39.78 37.24 2qxx n ASN 93 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qxx s LEU 94 N -1.22 2.29 0.02 -4.53 1.02 -1.24 -1.42 118.68 113.60 2qxx s LEU 94 Ca 0.09 -0.64 0.05 0.00 0.02 0.00 0.00 54.13 53.65 2qxx s LEU 94 Cb 0.07 -0.52 -0.02 0.00 0.02 0.00 0.00 46.19 45.75 2qxx s LEU 94 CO 0.01 -0.09 -0.15 0.00 0.02 0.00 0.00 176.35 176.14 2qxx s ALA 95 N -1.37 1.29 0.36 4.21 0.00 -0.19 -3.61 121.76 122.46 2qxx s ALA 95 Ca -0.01 -0.80 0.08 0.00 0.00 0.00 0.00 51.96 51.23 2qxx s ALA 95 Cb -0.09 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.74 2qxx s ALA 95 CO 0.02 0.28 0.30 0.20 0.00 0.00 0.00 175.76 176.56 2qxx s GLY 96 N -0.87 1.90 -0.05 0.00 0.00 -0.55 0.26 107.32 108.01 2qxx s GLY 96 Ca 0.04 -1.74 0.03 0.00 0.00 0.00 0.00 44.72 43.05 2qxx s GLY 96 CO 0.01 -1.63 -0.14 0.50 0.00 0.00 0.00 173.10 171.83 2qxx s ARG 97 N -4.01 1.72 -0.67 2.90 0.52 0.13 0.03 118.95 119.56 2qxx s ARG 97 Ca 0.42 -0.50 -0.09 0.00 -0.52 0.00 0.00 55.73 55.04 2qxx s ARG 97 Cb -0.05 -1.45 0.17 0.00 0.52 0.00 0.00 34.95 34.15 2qxx s ARG 97 CO 0.26 0.13 0.55 -1.17 0.02 0.00 0.00 175.30 175.09 2qxx s LEU 98 N 0.36 5.97 0.65 2.53 1.98 -1.24 -0.97 118.68 127.97 2qxx s LEU 98 Ca -0.09 -2.56 0.00 0.00 -2.89 0.00 0.00 54.13 48.59 2qxx s LEU 98 Cb -0.13 -2.04 0.09 0.00 0.66 0.00 0.00 46.19 44.77 2qxx s LEU 98 CO 0.03 -0.54 0.91 -1.61 -1.89 0.00 0.00 176.35 173.25 2qxx s GLU 99 N 0.38 2.02 0.00 1.98 0.41 -0.33 -4.66 118.70 118.49 2qxx s GLU 99 Ca 0.14 -1.01 0.00 0.00 -0.41 0.00 0.00 54.97 53.69 2qxx s GLU 99 Cb -0.18 -2.40 0.00 0.00 -1.78 0.00 0.00 34.13 29.77 2qxx s GLU 99 CO -0.05 -1.16 0.00 0.41 -0.49 0.00 0.00 175.26 173.97 2qxx n GLY 100 N -2.64 0.07 3.06 -1.39 0.00 -1.26 -1.30 105.19 101.73 2qxx n GLY 100 Ca 0.12 -1.77 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 2qxx n GLY 100 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qxx s LYS 101 N 0.45 0.90 0.33 1.61 1.02 -1.26 -3.85 119.74 118.94 2qxx s LYS 101 Ca 0.00 -0.43 0.03 0.00 0.02 0.00 0.00 55.97 55.60 2qxx s LYS 101 Cb 0.00 -0.87 0.64 0.00 -0.52 0.00 0.00 37.83 37.08 2qxx s LYS 101 CO 0.00 0.24 1.93 1.03 -0.92 0.00 0.00 175.35 177.62 2qxx h SER 102 N 5.79 0.79 -0.53 2.83 0.87 -1.99 -0.67 113.55 120.63 2qxx h SER 102 Ca -0.33 0.01 0.06 0.00 -1.23 0.00 0.00 61.79 60.30 2qxx h SER 102 Cb 1.17 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2qxx h SER 102 CO 0.49 0.50 0.35 0.28 -0.53 0.00 0.00 176.83 177.92 2qxx h SER 103 N 0.89 0.42 0.43 6.23 0.02 -1.98 -1.64 113.55 117.92 2qxx h SER 103 Ca 0.36 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 61.00 2qxx h SER 103 Cb 0.26 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2qxx h SER 103 CO -0.13 0.28 -1.50 -0.07 -1.14 0.00 0.00 176.83 174.27 2qxx h LEU 104 N 0.48 0.48 -1.56 5.07 3.38 -1.43 -3.26 115.31 118.47 2qxx h LEU 104 Ca 0.23 -0.62 -0.05 0.00 0.09 0.00 0.00 57.88 57.53 2qxx h LEU 104 Cb 0.28 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2qxx h LEU 104 CO -0.06 1.51 -0.23 1.23 0.09 0.00 0.00 178.44 180.97 2qxx h GLY 105 N 1.35 0.00 2.00 0.83 0.00 -1.15 -0.91 103.07 105.19 2qxx h GLY 105 Ca -0.24 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2qxx h GLY 105 CO 0.19 0.00 0.00 0.54 0.00 0.00 0.00 176.54 177.27 2qxx n ARG 106 N -3.88 0.14 0.00 4.80 1.74 -0.64 -1.77 116.66 117.04 2qxx n ARG 106 Ca -0.02 0.35 0.09 0.00 -0.77 0.00 0.00 57.85 57.50 2qxx n ARG 106 Cb 0.32 -1.75 0.01 0.00 -1.02 0.00 0.00 32.46 30.02 2qxx n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2qxx n LEU 107 N -2.01 1.87 0.00 0.55 4.77 -0.85 -4.98 117.00 116.36 2qxx n LEU 107 Ca 0.03 -0.80 0.00 0.00 -0.03 0.00 0.00 56.01 55.21 2qxx n LEU 107 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2qxx n LEU 107 CO 0.19 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 2qxx n GLY 108 N 1.21 0.83 3.55 -0.72 0.00 -0.73 -4.62 105.19 104.71 2qxx n GLY 108 Ca 0.08 -0.10 -0.41 0.00 0.00 0.00 0.00 46.02 45.59 2qxx n GLY 108 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2qxx s LEU 109 N 0.00 4.41 -0.18 0.99 2.96 -0.40 -0.96 118.68 125.49 2qxx s LEU 109 Ca 0.00 -0.17 -0.02 0.00 -0.22 0.00 0.00 54.13 53.72 2qxx s LEU 109 Cb 0.00 -2.39 -0.01 0.00 0.50 0.00 0.00 46.19 44.30 2qxx s LEU 109 CO 0.00 -0.36 -0.10 -0.76 -1.32 0.00 0.00 176.35 173.81 2qxx s LEU 110 N 2.09 2.70 -0.32 -0.68 1.43 -0.43 -2.72 118.68 120.74 2qxx s LEU 110 Ca 0.13 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 52.64 2qxx s LEU 110 Cb -0.16 -1.65 -0.01 0.00 0.03 0.00 0.00 46.19 44.40 2qxx s LEU 110 CO 0.12 0.05 0.54 -0.89 0.23 0.00 0.00 176.35 176.40 2qxx s THR 111 N 1.02 5.01 0.00 5.49 2.01 -1.26 -1.35 115.64 126.55 2qxx s THR 111 Ca -0.01 0.59 -0.19 0.00 0.31 0.00 0.00 61.69 62.39 2qxx s THR 111 Cb -0.15 -3.94 -0.26 0.00 0.01 0.00 0.00 72.50 68.16 2qxx s THR 111 CO -0.02 -0.13 1.06 0.45 -0.69 0.00 0.00 174.62 175.30 2qxx h HIS 112 N 8.30 0.68 -6.98 4.92 -0.00 -1.14 -3.39 115.15 117.53 2qxx h HIS 112 Ca -0.28 -0.40 -0.51 0.00 -0.00 0.00 0.00 60.37 59.18 2qxx h HIS 112 Cb 1.13 -0.06 -0.05 0.00 -0.00 0.00 0.00 27.41 28.42 2qxx h HIS 112 CO 0.74 1.24 -0.84 0.43 -0.00 0.00 0.00 177.93 179.51 2qxx n SER 113 N -4.12 -2.43 -0.28 2.45 7.64 -1.26 -4.77 113.62 110.85 2qxx n SER 113 Ca -0.12 -1.09 0.08 0.00 1.01 0.00 0.00 58.87 58.75 2qxx n SER 113 Cb 0.76 -1.32 0.32 0.00 -1.01 0.00 0.00 64.21 62.96 2qxx n SER 113 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2qxx h THR 114 N -1.63 0.94 0.00 0.44 1.03 -1.94 -0.06 112.91 111.69 2qxx h THR 114 Ca -0.59 -0.29 0.00 0.00 -0.01 0.00 0.00 66.41 65.53 2qxx h THR 114 Cb 1.17 0.03 0.00 0.00 -1.07 0.00 0.00 68.15 68.29 2qxx h THR 114 CO 0.47 0.15 0.00 0.00 -0.01 0.00 0.00 175.52 176.13 2qxx n ALA 115 N -2.41 1.99 -0.00 0.00 0.00 -1.26 -4.93 120.51 113.88 2qxx n ALA 115 Ca 0.15 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2qxx n ALA 115 Cb 0.34 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.42 2qxx n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qxx n GLY 116 N 0.71 1.39 3.88 0.00 0.00 -0.04 -4.89 105.19 106.24 2qxx n GLY 116 Ca 0.05 -0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 2qxx n GLY 116 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qxx s PHE 117 N 0.00 3.60 -0.22 1.61 0.40 -1.26 -3.65 117.98 118.46 2qxx s PHE 117 Ca 0.00 0.59 -0.18 0.00 -0.60 0.00 0.00 56.93 56.74 2qxx s PHE 117 Cb 0.00 -1.99 -0.03 0.00 0.51 0.00 0.00 43.02 41.51 2qxx s PHE 117 CO 0.00 0.67 0.51 0.42 0.70 0.00 0.00 175.22 177.52 2qxx s ILE 118 N -1.16 5.10 0.40 0.64 -1.09 0.10 -4.95 121.20 120.25 2qxx s ILE 118 Ca 0.22 0.91 -0.24 0.00 -2.23 0.00 0.00 60.65 59.30 2qxx s ILE 118 Cb -0.13 -3.83 -0.09 0.00 -1.58 0.00 0.00 42.46 36.83 2qxx s ILE 118 CO 0.11 0.14 1.10 -1.81 -1.23 0.00 0.00 174.94 173.25 2qxx s ASP 119 N 1.30 6.63 0.06 3.58 1.01 -1.26 -1.48 116.67 126.51 2qxx s ASP 119 Ca 0.23 2.17 -0.37 0.00 0.71 0.00 0.00 52.55 55.28 2qxx s ASP 119 Cb -0.15 -2.60 -0.17 0.00 1.01 0.00 0.00 42.92 41.01 2qxx s ASP 119 CO 0.09 -0.59 1.31 -0.81 0.21 0.00 0.00 175.17 175.38 2qxx n PRO 120 N -0.04 0.97 0.00 8.23 -0.04 -1.24 -0.71 135.00 142.17 2qxx n PRO 120 Ca 0.05 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2qxx n PRO 120 Cb 0.48 -1.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.97 2qxx n PRO 120 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2qxx n GLY 121 N 2.42 1.27 3.76 0.55 0.00 -0.93 -0.47 105.19 111.79 2qxx n GLY 121 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2qxx n GLY 121 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2qxx s PHE 122 N -2.34 2.98 -0.05 1.61 5.36 0.11 -4.59 117.98 121.06 2qxx s PHE 122 Ca 0.00 1.16 -0.01 0.00 -0.96 0.00 0.00 56.93 57.12 2qxx s PHE 122 Cb 0.00 -3.80 0.03 0.00 -0.34 0.00 0.00 43.02 38.91 2qxx s PHE 122 CO 0.00 -2.46 0.01 0.45 -1.46 0.00 0.00 175.22 171.76 2qxx s SER 123 N 0.04 1.16 0.00 6.13 0.15 -1.26 -0.55 113.70 119.37 2qxx s SER 123 Ca 0.55 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 57.16 2qxx s SER 123 Cb -0.42 -0.34 0.00 0.00 -1.71 0.00 0.00 66.02 63.55 2qxx s SER 123 CO 0.49 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.37 2qxx n GLY 124 N 4.81 -2.02 3.86 9.45 0.00 0.39 -0.15 105.19 121.52 2qxx n GLY 124 Ca -0.13 -1.41 -0.31 0.00 0.00 0.00 0.00 46.02 44.17 2qxx n GLY 124 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qxx s HIS 125 N -2.06 3.59 -0.15 1.61 3.76 -0.45 -0.74 115.29 120.85 2qxx s HIS 125 Ca 0.00 1.32 -0.05 0.00 -0.15 0.00 0.00 55.06 56.18 2qxx s HIS 125 Cb 0.00 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.92 2qxx s HIS 125 CO 0.00 -0.60 0.03 0.42 -0.85 0.00 0.00 174.74 173.74 2qxx s ILE 126 N -3.03 4.56 -0.20 0.60 1.01 -1.26 -4.79 121.20 118.08 2qxx s ILE 126 Ca 0.56 -0.13 -0.23 0.00 0.00 0.00 0.00 60.65 60.85 2qxx s ILE 126 Cb -0.11 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 2qxx s ILE 126 CO 0.48 0.51 0.76 -0.89 0.00 0.00 0.00 174.94 175.80 2qxx s THR 127 N -0.03 4.92 -0.20 2.92 2.01 -1.26 -0.98 115.64 123.02 2qxx s THR 127 Ca 0.05 1.45 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 2qxx s THR 127 Cb -0.12 -4.06 -0.05 0.00 0.01 0.00 0.00 72.50 68.28 2qxx s THR 127 CO 0.01 0.03 0.12 -0.76 -0.69 0.00 0.00 174.62 173.33 2qxx s LEU 128 N 2.26 4.08 -0.43 4.42 1.43 0.07 -4.91 118.68 125.59 2qxx s LEU 128 Ca 0.34 0.16 -0.19 0.00 -1.03 0.00 0.00 54.13 53.41 2qxx s LEU 128 Cb -0.16 -2.06 0.02 0.00 0.03 0.00 0.00 46.19 44.03 2qxx s LEU 128 CO 0.10 0.15 0.54 -1.61 0.23 0.00 0.00 176.35 175.76 2qxx s GLU 129 N 0.52 3.18 -0.11 1.70 2.02 -1.26 0.26 118.70 125.01 2qxx s GLU 129 Ca 0.07 -0.57 0.02 0.00 0.02 0.00 0.00 54.97 54.51 2qxx s GLU 129 Cb -0.12 -3.96 -0.00 0.00 0.10 0.00 0.00 34.13 30.15 2qxx s GLU 129 CO -0.00 -0.93 -0.20 -0.51 0.02 0.00 0.00 175.26 173.64 2qxx s LEU 130 N 2.47 2.30 0.08 1.80 1.43 -0.36 -0.45 118.68 125.96 2qxx s LEU 130 Ca 0.17 -0.49 0.09 0.00 -1.03 0.00 0.00 54.13 52.87 2qxx s LEU 130 Cb -0.16 -1.48 -0.03 0.00 0.03 0.00 0.00 46.19 44.55 2qxx s LEU 130 CO 0.16 0.15 -0.24 -0.44 0.23 0.00 0.00 176.35 176.22 2qxx s SER 131 N 0.39 2.86 -0.26 2.29 0.01 -0.46 -0.82 113.70 117.72 2qxx s SER 131 Ca -0.15 -0.64 -0.03 0.00 1.31 0.00 0.00 55.95 56.43 2qxx s SER 131 Cb -0.17 -0.21 0.02 0.00 0.21 0.00 0.00 66.02 65.87 2qxx s SER 131 CO 0.07 0.16 -0.02 0.21 0.41 0.00 0.00 173.24 174.07 2qxx s ASN 132 N -1.64 4.54 -0.01 2.44 3.84 -0.50 -1.31 114.94 122.30 2qxx s ASN 132 Ca 0.10 -0.75 0.11 0.00 0.21 0.00 0.00 52.86 52.52 2qxx s ASN 132 Cb -0.10 -1.74 0.30 0.00 -0.55 0.00 0.00 41.25 39.17 2qxx s ASN 132 CO 0.04 -0.13 1.25 1.33 -2.79 0.00 0.00 177.10 176.80 2qxx n VAL 133 N 4.74 1.04 -2.04 -5.21 0.24 -0.14 -0.23 118.33 116.74 2qxx n VAL 133 Ca -0.16 -1.03 -0.29 0.00 -2.04 0.00 0.00 64.34 60.82 2qxx n VAL 133 Cb 0.48 0.48 0.20 0.00 -1.47 0.00 0.00 33.84 33.52 2qxx n VAL 133 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2qxx s ALA 134 N -1.06 2.38 -2.58 2.33 0.00 -1.25 -4.91 121.76 116.67 2qxx s ALA 134 Ca 0.23 -1.41 0.27 0.00 0.00 0.00 0.00 51.96 51.04 2qxx s ALA 134 Cb 0.12 -2.61 0.76 0.00 0.00 0.00 0.00 23.12 21.40 2qxx s ALA 134 CO 0.15 -2.46 1.58 0.27 0.00 0.00 0.00 175.76 175.30 2qxx n ASN 135 N -3.72 1.90 -4.12 0.00 6.94 -1.26 -4.38 115.26 110.61 2qxx n ASN 135 Ca 0.17 -1.60 -0.18 0.00 -0.02 0.00 0.00 54.58 52.95 2qxx n ASN 135 Cb 0.59 0.02 -0.12 0.00 -2.36 0.00 0.00 39.78 37.91 2qxx n ASN 135 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 2qxx s LEU 136 N -2.04 2.22 0.67 -4.53 1.43 -1.26 -4.88 118.68 110.28 2qxx s LEU 136 Ca 0.34 -0.51 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 2qxx s LEU 136 Cb 0.21 -0.46 0.00 0.00 0.03 0.00 0.00 46.19 45.97 2qxx s LEU 136 CO 0.34 -0.05 1.26 -2.16 0.23 0.00 0.00 176.35 175.96 2qxx s PRO 137 N -1.38 2.47 -0.12 1.29 0.04 -1.26 -4.37 135.00 131.66 2qxx s PRO 137 Ca -0.02 1.94 0.02 0.00 0.04 0.00 0.00 61.00 62.98 2qxx s PRO 137 Cb -0.09 -1.85 0.01 0.00 0.04 0.00 0.00 34.50 32.61 2qxx s PRO 137 CO 0.01 -1.62 -0.19 0.42 0.04 0.00 0.00 177.00 175.66 2qxx s ILE 138 N -1.60 1.81 -0.43 0.56 1.01 -0.22 -4.98 121.20 117.35 2qxx s ILE 138 Ca 0.79 -0.83 -0.29 0.00 0.00 0.00 0.00 60.65 60.33 2qxx s ILE 138 Cb -0.34 -1.61 0.03 0.00 0.01 0.00 0.00 42.46 40.54 2qxx s ILE 138 CO 0.40 0.50 1.10 0.42 0.00 0.00 0.00 174.94 177.37 2qxx s THR 139 N 0.86 4.32 -0.29 2.92 -4.23 -1.26 -1.51 115.64 116.46 2qxx s THR 139 Ca -0.08 1.35 -0.17 0.00 -1.18 0.00 0.00 61.69 61.62 2qxx s THR 139 Cb -0.15 -4.53 -0.02 0.00 1.34 0.00 0.00 72.50 69.13 2qxx s THR 139 CO -0.01 -0.83 0.46 -0.76 -0.54 0.00 0.00 174.62 172.94 2qxx s LEU 140 N 4.14 4.13 -0.30 4.79 1.43 0.39 -4.91 118.68 128.36 2qxx s LEU 140 Ca 0.46 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.68 2qxx s LEU 140 Cb -0.09 -2.55 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 2qxx s LEU 140 CO 0.26 -0.30 0.41 0.26 0.23 0.00 0.00 176.35 177.21 2qxx s TRP 141 N 2.24 3.23 -0.03 0.29 0.52 -1.26 -0.76 118.94 123.17 2qxx s TRP 141 Ca 0.18 0.31 -0.38 0.00 0.02 0.00 0.00 56.10 56.23 2qxx s TRP 141 Cb -0.16 -2.66 -0.17 0.00 -1.15 0.00 0.00 33.47 29.33 2qxx s TRP 141 CO 0.11 -0.32 1.43 -2.30 0.02 0.00 0.00 176.95 175.88 2qxx n PRO 142 N 5.43 1.04 0.00 4.98 -0.02 -1.26 -1.38 135.00 143.79 2qxx n PRO 142 Ca -0.08 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 2qxx n PRO 142 Cb 0.50 -2.02 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 2qxx n PRO 142 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qxx n GLY 143 N 2.90 1.91 3.78 -1.23 0.00 0.26 -4.98 105.19 107.83 2qxx n GLY 143 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.91 2qxx n GLY 143 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2qxx s MET 144 N -0.91 2.59 0.12 1.61 0.23 -0.48 -4.51 119.30 117.95 2qxx s MET 144 Ca 0.00 1.19 -0.30 0.00 -1.03 0.00 0.00 55.69 55.54 2qxx s MET 144 Cb 0.00 -1.94 -0.07 0.00 -1.53 0.00 0.00 34.83 31.29 2qxx s MET 144 CO 0.00 -1.39 1.25 0.15 -2.03 0.00 0.00 175.02 173.00 2qxx s LYS 145 N -4.66 4.42 0.00 3.16 1.02 -1.26 -0.62 119.74 121.80 2qxx s LYS 145 Ca 0.62 1.89 0.00 0.00 0.02 0.00 0.00 55.97 58.50 2qxx s LYS 145 Cb -0.17 -3.28 0.00 0.00 -0.52 0.00 0.00 37.83 33.85 2qxx s LYS 145 CO 0.51 -0.24 0.00 1.51 -0.92 0.00 0.00 175.35 176.20 2qxx n ILE 146 N 3.41 0.00 -2.68 2.17 0.13 0.29 -4.87 119.36 117.81 2qxx n ILE 146 Ca 0.08 -0.35 0.00 0.00 -1.10 0.00 0.00 62.75 61.38 2qxx n ILE 146 Cb 0.45 0.95 0.00 0.00 -0.84 0.00 0.00 39.64 40.20 2qxx n ILE 146 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2qxx n GLY 147 N 0.85 -1.28 3.08 4.50 0.00 -1.23 -4.34 105.19 106.77 2qxx n GLY 147 Ca 0.00 -0.90 -0.12 0.00 0.00 0.00 0.00 46.02 45.00 2qxx n GLY 147 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2qxx s GLN 148 N -0.58 0.30 -0.24 1.61 -2.07 -0.42 -0.52 119.66 117.74 2qxx s GLN 148 Ca 0.00 0.06 -0.13 0.00 -1.82 0.00 0.00 55.36 53.46 2qxx s GLN 148 Cb 0.00 0.14 -0.04 0.00 -1.09 0.00 0.00 33.01 32.01 2qxx s GLN 148 CO 0.00 -0.06 0.29 -1.17 -1.32 0.00 0.00 175.29 173.04 2qxx s LEU 149 N -0.36 4.09 -0.07 2.60 2.96 0.96 -1.19 118.68 127.67 2qxx s LEU 149 Ca -0.05 0.26 0.01 0.00 -0.22 0.00 0.00 54.13 54.13 2qxx s LEU 149 Cb -0.03 -2.32 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 2qxx s LEU 149 CO 0.01 -0.07 -0.08 0.00 -1.32 0.00 0.00 176.35 174.89 2qxx s MET 151 N -0.77 2.98 -0.02 0.00 1.00 -1.26 0.20 119.30 121.43 2qxx s MET 151 Ca 0.12 -0.62 0.05 0.00 0.00 0.00 0.00 55.69 55.23 2qxx s MET 151 Cb -0.11 -2.59 -0.03 0.00 0.00 0.00 0.00 34.83 32.10 2qxx s MET 151 CO 0.01 0.47 -0.15 -0.51 0.00 0.00 0.00 175.02 174.84 2qxx s LEU 152 N -0.31 2.70 0.24 -0.03 1.02 0.14 -0.98 118.68 121.47 2qxx s LEU 152 Ca 0.03 -0.26 -0.30 0.00 0.02 0.00 0.00 54.13 53.63 2qxx s LEU 152 Cb -0.13 -1.56 -0.09 0.00 0.02 0.00 0.00 46.19 44.44 2qxx s LEU 152 CO 0.03 0.32 1.20 -0.13 0.02 0.00 0.00 176.35 177.79 2qxx s ARG 153 N -0.95 4.50 0.60 1.70 0.52 -0.76 -1.02 118.95 123.54 2qxx s ARG 153 Ca 0.13 1.94 -0.13 0.00 -0.52 0.00 0.00 55.73 57.14 2qxx s ARG 153 Cb -0.11 -3.19 -0.04 0.00 0.52 0.00 0.00 34.95 32.14 2qxx s ARG 153 CO 0.02 -0.03 1.03 -0.51 0.02 0.00 0.00 175.30 175.83 2qxx s LEU 154 N -0.90 3.37 0.29 2.53 1.43 -0.51 -4.76 118.68 120.14 2qxx s LEU 154 Ca 0.50 1.58 -0.00 0.00 -1.03 0.00 0.00 54.13 55.17 2qxx s LEU 154 Cb -0.34 -4.50 0.43 0.00 0.03 0.00 0.00 46.19 41.81 2qxx s LEU 154 CO 0.41 -0.96 1.84 0.71 0.23 0.00 0.00 176.35 178.58 2qxx h THR 155 N 0.09 1.22 -3.35 5.49 1.35 -1.96 -3.45 112.91 112.30 2qxx h THR 155 Ca -0.45 -0.80 -0.02 0.00 -0.55 0.00 0.00 66.41 64.58 2qxx h THR 155 Cb 1.20 0.71 -0.10 0.00 -1.73 0.00 0.00 68.15 68.23 2qxx h THR 155 CO 0.60 0.30 0.01 -0.94 -0.25 0.00 0.00 175.52 175.24 2qxx s SER 156 N -6.60 -0.23 0.44 5.36 1.04 -1.26 -5.14 113.70 107.31 2qxx s SER 156 Ca -0.09 -0.56 -0.25 0.00 0.48 0.00 0.00 55.95 55.53 2qxx s SER 156 Cb 0.15 0.58 -0.09 0.00 0.10 0.00 0.00 66.02 66.77 2qxx s SER 156 CO 0.79 -1.08 1.37 -2.65 0.98 0.00 0.00 173.24 172.66 2qxx n PRO 157 N -0.35 2.13 -2.20 4.02 -0.02 -1.26 -4.81 135.00 132.51 2qxx n PRO 157 Ca -0.09 0.76 -0.41 0.00 -2.02 0.00 0.00 63.50 61.74 2qxx n PRO 157 Cb 0.62 -2.53 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 2qxx n PRO 157 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qxx s SER 158 N -0.49 6.88 -0.02 2.55 0.15 0.49 -4.96 113.70 118.31 2qxx s SER 158 Ca 0.61 2.48 -0.25 0.00 0.70 0.00 0.00 55.95 59.48 2qxx s SER 158 Cb -0.47 -2.62 -0.20 0.00 -1.71 0.00 0.00 66.02 61.02 2qxx s SER 158 CO 0.58 -0.52 1.27 -0.08 1.20 0.00 0.00 173.24 175.70 2qxx h GLU 159 N 4.81 0.04 -3.19 5.44 4.57 -1.91 -3.38 114.58 120.96 2qxx h GLU 159 Ca -0.46 -0.02 -0.63 0.00 -1.18 0.00 0.00 59.36 57.07 2qxx h GLU 159 Cb 1.22 0.00 -0.41 0.00 -0.16 0.00 0.00 28.75 29.40 2qxx h GLU 159 CO 0.74 0.52 -0.64 -1.01 -1.18 0.00 0.00 179.01 177.44 2qxx s HIS 160 N -4.25 3.07 1.12 0.92 3.76 -1.26 -5.12 115.29 113.54 2qxx s HIS 160 Ca -0.16 -3.10 -0.16 0.00 -0.15 0.00 0.00 55.06 51.50 2qxx s HIS 160 Cb 0.02 -2.58 0.25 0.00 1.11 0.00 0.00 32.58 31.38 2qxx s HIS 160 CO 0.68 -0.68 1.08 -2.14 -0.85 0.00 0.00 174.74 172.83 2qxx s PRO 161 N -0.59 -0.59 0.45 8.40 0.02 -1.26 -4.62 135.00 136.82 2qxx s PRO 161 Ca 0.20 0.27 -0.25 0.00 0.02 0.00 0.00 61.00 61.25 2qxx s PRO 161 Cb -0.17 -1.64 -0.09 0.00 0.02 0.00 0.00 34.50 32.62 2qxx s PRO 161 CO -0.06 -3.36 1.31 0.98 -0.33 0.00 0.00 177.00 175.54 2qxx n TYR 162 N -4.57 2.23 0.00 6.54 9.36 0.38 -2.21 117.16 128.89 2qxx n TYR 162 Ca 0.08 0.47 0.00 0.00 3.32 0.00 0.00 57.90 61.78 2qxx n TYR 162 Cb 0.58 -2.38 0.00 0.00 -0.63 0.00 0.00 39.34 36.91 2qxx n TYR 162 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2qxx n GLY 163 N 0.77 3.27 3.78 2.98 0.00 -1.26 -4.44 105.19 110.29 2qxx n GLY 163 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 2qxx n GLY 163 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qxx s SER 164 N -0.97 6.88 0.33 1.61 1.04 -0.94 -4.88 113.70 116.78 2qxx s SER 164 Ca 0.00 1.99 0.05 0.00 0.48 0.00 0.00 55.95 58.47 2qxx s SER 164 Cb 0.00 -2.58 0.68 0.00 0.10 0.00 0.00 66.02 64.22 2qxx s SER 164 CO 0.00 -0.40 1.90 0.77 0.98 0.00 0.00 173.24 176.49 2qxx h SER 165 N 2.62 0.76 -0.11 7.02 4.64 -1.97 -1.97 113.55 124.54 2qxx h SER 165 Ca -0.48 0.02 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 2qxx h SER 165 Cb 1.21 -0.14 -0.02 0.00 -0.31 0.00 0.00 62.40 63.15 2qxx h SER 165 CO 0.63 0.45 -0.09 -0.09 -0.87 0.00 0.00 176.83 176.86 2qxx h ARG 166 N 0.84 0.42 0.00 4.77 9.65 -1.94 -1.45 114.38 126.67 2qxx h ARG 166 Ca 0.40 -0.10 -0.04 0.00 -1.10 0.00 0.00 59.98 59.14 2qxx h ARG 166 Cb 0.42 -0.05 -0.01 0.00 -1.39 0.00 0.00 29.97 28.94 2qxx h ARG 166 CO -0.17 0.52 -0.17 0.00 2.80 0.00 0.00 179.97 182.95 2qxx h ALA 167 N 1.51 0.97 -1.49 2.80 0.00 -1.63 -3.47 119.26 117.96 2qxx h ALA 167 Ca 0.08 -0.16 -0.25 0.00 0.00 0.00 0.00 54.91 54.58 2qxx h ALA 167 Cb 0.41 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2qxx h ALA 167 CO 0.02 0.22 -0.30 0.41 0.00 0.00 0.00 179.25 179.60 2qxx n GLY 168 N 0.39 0.19 3.73 0.00 0.00 -0.55 -4.95 105.19 104.00 2qxx n GLY 168 Ca 0.01 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.24 2qxx n GLY 168 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qxx n SER 169 N -0.27 2.84 -0.01 1.61 7.64 -1.26 -4.97 113.62 119.20 2qxx n SER 169 Ca -0.14 1.06 0.07 0.00 1.01 0.00 0.00 58.87 60.87 2qxx n SER 169 Cb 0.56 -1.56 -0.12 0.00 -1.01 0.00 0.00 64.21 62.08 2qxx n SER 169 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2qxx n LYS 170 N -0.39 0.55 -0.06 1.43 5.02 -1.26 -4.73 118.16 118.72 2qxx n LYS 170 Ca 0.07 -0.14 0.02 0.00 -2.02 0.00 0.00 58.31 56.25 2qxx n LYS 170 Cb 0.42 -1.38 0.03 0.00 -0.02 0.00 0.00 35.03 34.08 2qxx n LYS 170 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2qxx n TYR 171 N -2.09 0.00 -1.68 2.13 4.02 -1.26 -5.01 117.16 113.26 2qxx n TYR 171 Ca -0.04 -0.45 -0.45 0.00 -0.01 0.00 0.00 57.90 56.95 2qxx n TYR 171 Cb 0.45 -0.06 -0.04 0.00 -0.02 0.00 0.00 39.34 39.67 2qxx n TYR 171 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 176.86 176.79 2qxx n GLN 172 N -0.55 2.44 -0.68 -0.72 -0.06 -1.26 -1.98 117.38 114.56 2qxx n GLN 172 Ca 0.03 0.88 0.00 0.00 -2.00 0.00 0.00 57.00 55.92 2qxx n GLN 172 Cb 0.43 -2.71 0.00 0.00 -4.06 0.00 0.00 30.24 23.89 2qxx n GLN 172 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2qxx n GLY 173 N 3.90 0.76 3.74 1.69 0.00 0.78 -5.00 105.19 111.07 2qxx n GLY 173 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 2qxx n GLY 173 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qxx n GLN 174 N -2.32 2.67 -0.00 1.61 10.64 -0.84 -4.82 117.38 124.32 2qxx n GLN 174 Ca 0.00 0.95 0.10 0.00 -1.83 0.00 0.00 57.00 56.22 2qxx n GLN 174 Cb 0.00 -2.72 -0.12 0.00 -0.86 0.00 0.00 30.24 26.53 2qxx n GLN 174 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2qxx n ARG 175 N 2.05 0.12 -1.61 2.61 5.12 -1.26 -1.34 116.66 122.35 2qxx n ARG 175 Ca 0.08 -0.04 0.00 0.00 -1.93 0.00 0.00 57.85 55.97 2qxx n ARG 175 Cb 0.37 -1.50 0.00 0.00 -1.16 0.00 0.00 32.46 30.16 2qxx n ARG 175 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2qxx n GLY 176 N 1.46 4.06 3.33 -0.13 0.00 -1.26 -4.83 105.19 107.81 2qxx n GLY 176 Ca 0.03 -1.57 -0.42 0.00 0.00 0.00 0.00 46.02 44.05 2qxx n GLY 176 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qxx n PRO 177 N 0.00 3.04 -1.60 1.61 -0.04 -1.26 -4.82 135.00 131.93 2qxx n PRO 177 Ca 0.00 -3.04 -0.51 0.00 -0.04 0.00 0.00 63.50 59.91 2qxx n PRO 177 Cb 0.00 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 29.97 2qxx n PRO 177 CO 0.00 0.00 0.00 2.41 -0.04 0.00 0.00 175.50 177.87 2qxx n THR 178 N 6.05 0.07 -0.98 0.52 -1.04 -1.26 -4.93 114.28 112.72 2qxx n THR 178 Ca 0.50 -0.02 -0.33 0.00 -2.04 0.00 0.00 64.05 62.16 2qxx n THR 178 Cb 0.44 -0.91 0.12 0.00 -1.82 0.00 0.00 70.33 68.16 2qxx n THR 178 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2qxx n PRO 179 N 2.57 -0.03 -1.77 -2.82 -0.02 -1.26 -4.88 135.00 126.78 2qxx n PRO 179 Ca 0.18 0.05 -0.41 0.00 -2.02 0.00 0.00 63.50 61.30 2qxx n PRO 179 Cb 0.21 -2.14 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2qxx n PRO 179 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2qxx n SER 180 N -2.25 3.76 -1.29 2.55 2.88 -1.26 -4.92 113.62 113.09 2qxx n SER 180 Ca 0.11 1.22 -0.08 0.00 -1.33 0.00 0.00 58.87 58.79 2qxx n SER 180 Cb 0.51 -1.61 0.16 0.00 -0.75 0.00 0.00 64.21 62.52 2qxx n SER 180 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2qxx n ARG 181 N 0.53 2.16 0.31 -1.46 1.74 -1.26 -4.77 116.66 113.90 2qxx n ARG 181 Ca 0.02 -3.41 0.20 0.00 -0.77 0.00 0.00 57.85 53.89 2qxx n ARG 181 Cb 0.39 -1.89 1.03 0.00 -1.02 0.00 0.00 32.46 30.96 2qxx n ARG 181 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 2qxx h SER 182 N 1.28 0.00 0.75 0.55 4.64 -1.92 -1.66 113.55 117.20 2qxx h SER 182 Ca 0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.49 2qxx h SER 182 Cb 1.45 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.53 2qxx h SER 182 CO 0.46 0.00 -0.30 0.10 -0.87 0.00 0.00 176.83 176.22 2qxx h TYR 183 N 0.00 0.00 -3.28 4.77 -0.00 -1.78 -3.32 116.97 113.36 2qxx h TYR 183 Ca 0.00 0.00 -0.53 0.00 -0.00 0.00 0.00 58.73 58.20 2qxx h TYR 183 Cb 0.14 0.00 0.04 0.00 -0.00 0.00 0.00 36.73 36.91 2qxx h TYR 183 CO 0.00 0.30 0.74 -0.65 -0.00 0.00 0.00 178.16 178.54 2qxx s GLN 184 N -3.76 4.30 0.00 0.10 -0.21 -0.63 -2.71 119.66 116.76 2qxx s GLN 184 Ca -0.00 2.21 0.00 0.00 0.02 0.00 0.00 55.36 57.59 2qxx s GLN 184 Cb 0.11 -3.15 0.00 0.00 1.00 0.00 0.00 33.01 30.97 2qxx s GLN 184 CO 0.66 -0.40 0.00 0.09 -2.12 0.00 0.00 175.29 173.53 2qxx n ASN 185 N 2.78 -2.77 -4.55 5.90 3.02 -1.26 -4.85 115.26 113.53 2qxx n ASN 185 Ca 0.08 0.00 -0.52 0.00 -0.03 0.00 0.00 54.58 54.10 2qxx n ASN 185 Cb 0.41 -2.24 -0.06 0.00 -0.61 0.00 0.00 39.78 37.28 2qxx n ASN 185 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2qxx n PHE 186 N -1.23 1.07 -4.38 3.10 7.35 -1.10 -4.98 117.46 117.29 2qxx n PHE 186 Ca 0.00 0.78 -0.27 0.00 -0.76 0.00 0.00 57.45 57.20 2qxx n PHE 186 Cb 0.23 -2.22 -0.11 0.00 0.35 0.00 0.00 39.48 37.72 2qxx n PHE 186 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 2qxx s ILE 187 N 0.02 2.61 0.14 -2.13 -4.36 -1.26 -5.09 121.20 111.14 2qxx s ILE 187 Ca 0.81 -1.86 -0.17 0.00 -0.26 0.00 0.00 60.65 59.17 2qxx s ILE 187 Cb -1.00 -2.25 0.04 0.00 1.25 0.00 0.00 42.46 40.50 2qxx s ILE 187 CO 0.52 -0.08 0.44 0.00 0.24 0.00 0.00 174.94 176.06 2qxx s ARG 188 N -2.61 1.15 0.00 0.37 1.70 -1.26 -5.09 118.95 113.22 2qxx s ARG 188 Ca 0.21 -0.73 0.26 0.00 -0.47 0.00 0.00 55.73 55.01 2qxx s ARG 188 Cb -0.09 0.49 0.69 0.00 -0.57 0.00 0.00 34.95 35.48 2qxx s ARG 188 CO 0.11 -0.47 1.54 -1.13 -1.08 0.00 0.00 175.30 174.28