#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q3k n LYS 3 N 0.00 0.38 -2.86 -1.46 4.76 -1.26 -4.91 118.16 112.81 1q3k n LYS 3 Ca 0.00 -1.46 -0.33 0.00 -2.87 0.00 0.00 58.31 53.65 1q3k n LYS 3 Cb 0.00 -3.09 -0.07 0.00 -1.84 0.00 0.00 35.03 30.03 1q3k n LYS 3 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1q3k s SER 4 N 7.13 6.94 0.00 4.39 0.15 -1.26 -4.95 113.70 126.10 1q3k s SER 4 Ca 0.71 1.65 0.25 0.00 0.70 0.00 0.00 55.95 59.26 1q3k s SER 4 Cb 0.08 -2.52 0.48 0.00 -1.71 0.00 0.00 66.02 62.35 1q3k s SER 4 CO 0.25 -0.33 1.40 1.33 1.20 0.00 0.00 173.24 177.09 1q3k n VAL 5 N -0.54 0.00 -3.15 4.45 0.24 -1.26 -4.85 118.33 113.22 1q3k n VAL 5 Ca 0.06 -0.21 -0.42 0.00 -2.04 0.00 0.00 64.34 61.73 1q3k n VAL 5 Cb 0.54 0.78 -0.07 0.00 -1.47 0.00 0.00 33.84 33.62 1q3k n VAL 5 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1q3k s PHE 6 N -2.41 3.14 0.33 6.34 0.40 -1.26 0.58 117.98 125.08 1q3k s PHE 6 Ca 0.24 0.18 0.11 0.00 -0.60 0.00 0.00 56.93 56.85 1q3k s PHE 6 Cb 0.19 -3.13 0.98 0.00 0.51 0.00 0.00 43.02 41.57 1q3k s PHE 6 CO 0.51 -0.67 1.66 0.28 0.70 0.00 0.00 175.22 177.70 1q3k h VAL 7 N 5.71 0.31 0.00 -0.44 2.07 -1.51 0.73 116.25 123.13 1q3k h VAL 7 Ca -0.26 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.15 1q3k h VAL 7 Cb 1.11 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1q3k h VAL 7 CO 0.83 0.06 -0.01 1.23 0.02 0.00 0.00 177.57 179.70 1q3k h GLY 8 N 0.31 0.00 -2.11 2.17 0.00 -1.92 -1.44 103.07 100.08 1q3k h GLY 8 Ca 0.68 0.00 0.00 0.00 0.00 0.00 0.00 47.33 48.01 1q3k h GLY 8 CO -0.61 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.11 1q3k n GLU 9 N -3.21 2.40 -3.99 4.80 1.02 0.25 -4.94 120.64 116.98 1q3k n GLU 9 Ca -0.02 -2.12 -0.21 0.00 -0.02 0.00 0.00 57.16 54.78 1q3k n GLU 9 Cb 0.12 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 30.01 1q3k n GLU 9 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1q3k s LEU 10 N -1.43 3.92 0.60 -4.62 1.43 -0.54 -4.93 118.68 113.10 1q3k s LEU 10 Ca 0.38 -0.20 -0.07 0.00 -1.03 0.00 0.00 54.13 53.22 1q3k s LEU 10 Cb 0.22 -2.48 0.00 0.00 0.03 0.00 0.00 46.19 43.96 1q3k s LEU 10 CO 0.31 -0.12 0.92 0.42 0.23 0.00 0.00 176.35 178.11 1q3k s THR 11 N -2.12 3.82 0.46 5.49 -4.23 -1.26 -4.93 115.64 112.86 1q3k s THR 11 Ca 0.35 0.13 0.19 0.00 -1.18 0.00 0.00 61.69 61.18 1q3k s THR 11 Cb -0.08 -3.52 0.23 0.00 1.34 0.00 0.00 72.50 70.47 1q3k s THR 11 CO 0.27 -0.56 2.04 4.11 -0.54 0.00 0.00 174.62 179.94 1q3k h TRP 12 N -0.20 0.00 -0.46 3.99 5.08 -1.99 -2.34 115.95 120.02 1q3k h TRP 12 Ca -0.45 0.00 -0.09 0.00 1.08 0.00 0.00 58.89 59.43 1q3k h TRP 12 Cb 1.25 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.39 1q3k h TRP 12 CO 0.50 0.14 -0.05 0.87 -1.28 0.00 0.00 178.44 178.62 1q3k h LYS 13 N 0.00 0.85 -0.28 0.12 1.79 -1.99 0.37 116.57 117.43 1q3k h LYS 13 Ca -0.00 -0.30 -0.04 0.00 -2.18 0.00 0.00 60.65 58.13 1q3k h LYS 13 Cb 0.28 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 30.86 1q3k h LYS 13 CO 0.02 0.93 0.03 0.93 -1.08 0.00 0.00 179.45 180.27 1q3k h GLU 14 N 0.69 0.47 -0.21 3.15 5.08 -1.83 -2.25 114.58 119.67 1q3k h GLU 14 Ca 0.12 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.36 1q3k h GLU 14 Cb 0.58 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 1q3k h GLU 14 CO 0.03 0.60 0.12 -0.92 -1.00 0.00 0.00 179.01 177.84 1q3k h TYR 15 N 0.27 0.22 -0.86 4.33 3.20 -1.33 -2.18 116.97 120.63 1q3k h TYR 15 Ca 0.08 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.05 1q3k h TYR 15 Cb 0.37 -0.07 -0.07 0.00 1.54 0.00 0.00 36.73 38.49 1q3k h TYR 15 CO 0.03 0.13 0.51 1.49 -1.64 0.00 0.00 178.16 178.68 1q3k h GLU 16 N 0.25 0.84 -0.22 1.82 4.81 -0.81 -0.79 114.58 120.48 1q3k h GLU 16 Ca 0.08 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1q3k h GLU 16 Cb -0.00 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 1q3k h GLU 16 CO -0.04 0.56 0.07 0.00 -0.73 0.00 0.00 179.01 178.86 1q3k h ALA 17 N 1.45 0.29 -0.60 2.92 0.00 -1.19 0.25 119.26 122.38 1q3k h ALA 17 Ca 0.41 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1q3k h ALA 17 Cb 0.33 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.99 1q3k h ALA 17 CO -0.23 -0.09 0.32 0.00 0.00 0.00 0.00 179.25 179.25 1q3k h ARG 18 N 0.18 0.58 -0.29 0.00 2.47 -0.84 0.28 114.38 116.77 1q3k h ARG 18 Ca 0.07 -0.04 -0.08 0.00 -1.26 0.00 0.00 59.98 58.68 1q3k h ARG 18 Cb 0.23 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 1q3k h ARG 18 CO -0.00 0.39 -0.13 0.28 0.56 0.00 0.00 179.97 181.06 1q3k h VAL 19 N 0.60 1.29 0.00 2.04 2.07 -0.95 -2.73 116.25 118.57 1q3k h VAL 19 Ca 0.27 -1.22 -0.03 0.00 0.82 0.00 0.00 66.70 66.55 1q3k h VAL 19 Cb 0.17 1.47 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 1q3k h VAL 19 CO -0.17 0.39 -0.12 0.00 0.02 0.00 0.00 177.57 177.68 1q3k h ALA 20 N 0.76 1.30 0.00 1.67 0.00 0.07 -2.40 119.26 120.65 1q3k h ALA 20 Ca 0.07 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1q3k h ALA 20 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1q3k h ALA 20 CO 0.04 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.44 1q3k h ALA 21 N 1.88 1.00 0.00 0.00 0.00 -0.13 -3.48 119.26 118.52 1q3k h ALA 21 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1q3k h ALA 21 Cb 0.34 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1q3k h ALA 21 CO 0.02 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.68 1q3k n GLY 22 N -0.50 1.34 3.45 0.00 0.00 -0.91 -4.96 105.19 103.62 1q3k n GLY 22 Ca 0.01 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.08 1q3k n GLY 22 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1q3k n ASP 23 N -0.32 0.18 -4.68 1.61 5.68 -1.26 -4.91 116.55 112.85 1q3k n ASP 23 Ca 0.00 -0.72 -0.41 0.00 -0.50 0.00 0.00 54.79 53.16 1q3k n ASP 23 Cb 0.00 -0.90 -0.04 0.00 -1.14 0.00 0.00 41.12 39.05 1q3k n ASP 23 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1q3k s VAL 25 N 1.85 5.22 0.02 0.00 1.01 -1.26 -4.33 120.40 122.90 1q3k s VAL 25 Ca 0.41 0.56 -0.01 0.00 0.00 0.00 0.00 61.98 62.94 1q3k s VAL 25 Cb -0.17 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1q3k s VAL 25 CO 0.15 0.23 0.16 -0.76 0.00 0.00 0.00 175.10 174.88 1q3k s LEU 26 N 1.57 4.20 -0.09 3.92 2.01 -0.74 -1.28 118.68 128.28 1q3k s LEU 26 Ca 0.15 0.24 0.01 0.00 0.01 0.00 0.00 54.13 54.54 1q3k s LEU 26 Cb -0.15 -2.62 0.02 0.00 0.01 0.00 0.00 46.19 43.46 1q3k s LEU 26 CO 0.08 0.23 -0.09 -0.04 1.01 0.00 0.00 176.35 177.54 1q3k s MET 27 N -2.10 1.51 -0.27 1.70 -1.94 0.59 -0.08 119.30 118.72 1q3k s MET 27 Ca 0.29 -0.29 -0.03 0.00 -1.71 0.00 0.00 55.69 53.95 1q3k s MET 27 Cb -0.13 -1.45 0.03 0.00 2.01 0.00 0.00 34.83 35.29 1q3k s MET 27 CO 0.20 -0.15 -0.02 -1.17 -0.01 0.00 0.00 175.02 173.87 1q3k s LEU 28 N 1.28 3.46 0.15 -0.03 2.96 0.28 -0.11 118.68 126.67 1q3k s LEU 28 Ca -0.03 -0.93 -0.30 0.00 -0.22 0.00 0.00 54.13 52.64 1q3k s LEU 28 Cb -0.14 -1.71 -0.07 0.00 0.50 0.00 0.00 46.19 44.77 1q3k s LEU 28 CO -0.03 -0.17 1.11 -2.84 -1.32 0.00 0.00 176.35 173.10 1q3k s PRO 29 N 1.34 4.57 -0.17 0.98 0.02 -1.26 -0.71 135.00 139.77 1q3k s PRO 29 Ca -0.01 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 62.71 1q3k s PRO 29 Cb -0.17 -3.30 0.04 0.00 0.02 0.00 0.00 34.50 31.09 1q3k s PRO 29 CO -0.03 0.02 -0.04 0.08 -0.33 0.00 0.00 177.00 176.71 1q3k s VAL 30 N 0.01 1.04 0.00 3.83 1.01 -0.34 -0.74 120.40 125.20 1q3k s VAL 30 Ca 0.51 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.87 1q3k s VAL 30 Cb -0.29 -1.25 0.00 0.00 0.00 0.00 0.00 36.38 34.84 1q3k s VAL 30 CO 0.34 0.08 0.00 0.61 0.00 0.00 0.00 175.10 176.13 1q3k n GLY 31 N 4.89 4.04 3.61 4.51 0.00 -0.43 -0.09 105.19 121.73 1q3k n GLY 31 Ca -0.11 -0.60 -0.02 0.00 0.00 0.00 0.00 46.02 45.29 1q3k n GLY 31 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3k s ALA 32 N -2.00 -2.16 -0.43 4.61 0.00 -1.09 -2.99 121.76 117.70 1q3k s ALA 32 Ca 0.00 1.28 -0.02 0.00 0.00 0.00 0.00 51.96 53.22 1q3k s ALA 32 Cb 0.00 0.04 0.12 0.00 0.00 0.00 0.00 23.12 23.28 1q3k s ALA 32 CO 0.00 -0.77 0.22 -1.17 0.00 0.00 0.00 175.76 174.03 1q3k s LEU 33 N -2.48 5.16 -0.03 0.00 2.96 -0.99 -4.12 118.68 119.18 1q3k s LEU 33 Ca 0.11 -2.19 -0.05 0.00 -0.22 0.00 0.00 54.13 51.79 1q3k s LEU 33 Cb 0.01 -1.80 0.01 0.00 0.50 0.00 0.00 46.19 44.91 1q3k s LEU 33 CO -0.04 -0.49 0.11 -0.70 -1.32 0.00 0.00 176.35 173.91 1q3k s GLU 34 N 0.91 0.26 0.32 1.98 2.12 -0.83 0.37 118.70 123.83 1q3k s GLU 34 Ca 0.10 -0.07 -0.29 0.00 0.36 0.00 0.00 54.97 55.06 1q3k s GLU 34 Cb -0.22 0.11 -0.11 0.00 0.26 0.00 0.00 34.13 34.17 1q3k s GLU 34 CO -0.04 -0.05 1.52 1.14 -0.54 0.00 0.00 175.26 177.28 1q3k s GLN 35 N -0.52 4.15 -0.38 4.30 1.03 -1.26 -4.31 119.66 122.68 1q3k s GLN 35 Ca -0.06 2.52 0.13 0.00 0.04 0.00 0.00 55.36 57.98 1q3k s GLN 35 Cb -0.04 -3.02 0.43 0.00 0.03 0.00 0.00 33.01 30.42 1q3k s GLN 35 CO 0.00 -0.54 0.98 0.72 -2.54 0.00 0.00 175.29 173.92 1q3k n HIS 36 N 1.48 1.97 -1.28 9.60 8.25 -1.26 -4.97 115.22 129.02 1q3k n HIS 36 Ca 0.05 -3.05 0.00 0.00 -0.26 0.00 0.00 57.72 54.46 1q3k n HIS 36 Cb 0.39 -0.29 -0.00 0.00 1.12 0.00 0.00 29.99 31.21 1q3k n HIS 36 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1q3k n GLY 37 N -0.18 -2.21 0.07 -1.41 0.00 -1.24 -3.61 105.19 96.61 1q3k n GLY 37 Ca 0.21 -1.50 0.13 0.00 0.00 0.00 0.00 46.02 44.87 1q3k n GLY 37 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1q3k n HIS 38 N -0.71 0.62 0.64 1.61 8.25 -1.26 -4.13 115.22 120.23 1q3k n HIS 38 Ca 0.00 0.18 0.10 0.00 -0.26 0.00 0.00 57.72 57.74 1q3k n HIS 38 Cb 0.00 -0.79 -0.11 0.00 1.12 0.00 0.00 29.99 30.21 1q3k n HIS 38 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 1q3k n HIS 39 N -2.00 0.03 -4.41 4.41 1.44 -1.26 -4.86 115.22 108.57 1q3k n HIS 39 Ca 0.06 0.01 -0.20 0.00 -2.01 0.00 0.00 57.72 55.58 1q3k n HIS 39 Cb 0.40 -0.21 -0.10 0.00 0.12 0.00 0.00 29.99 30.20 1q3k n HIS 39 CO 0.00 0.00 0.00 -1.64 -2.81 0.00 0.00 176.34 171.89 1q3k s MET 40 N -3.18 1.49 0.95 -1.40 1.00 -1.24 -1.03 119.30 115.89 1q3k s MET 40 Ca 0.03 -1.74 -0.13 0.00 0.00 0.00 0.00 55.69 53.84 1q3k s MET 40 Cb 0.15 -1.12 0.16 0.00 0.00 0.00 0.00 34.83 34.03 1q3k s MET 40 CO 0.87 0.06 1.15 0.00 0.00 0.00 0.00 175.02 177.10 1q3k h MET 42 N -1.65 0.00 -0.30 0.00 0.00 -1.95 -3.36 114.93 107.67 1q3k h MET 42 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.21 1q3k h MET 42 Cb 1.32 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.92 1q3k h MET 42 CO 0.56 0.00 0.00 0.27 0.00 0.00 0.00 176.91 177.74 1q3k n ASN 43 N -2.17 1.59 -0.30 1.22 0.23 -1.26 -1.97 115.26 112.60 1q3k n ASN 43 Ca 0.04 -2.00 -0.03 0.00 -0.53 0.00 0.00 54.58 52.06 1q3k n ASN 43 Cb 0.44 -0.20 0.03 0.00 -2.08 0.00 0.00 39.78 37.97 1q3k n ASN 43 CO 0.00 0.00 0.00 0.58 -0.93 0.00 0.00 177.26 176.91 1q3k h VAL 44 N 1.73 0.08 0.00 3.53 2.07 -1.82 -0.11 116.25 121.74 1q3k h VAL 44 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q3k h VAL 44 Cb 0.40 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1q3k h VAL 44 CO 0.00 0.00 0.05 0.44 0.02 0.00 0.00 177.57 178.08 1q3k h ASP 45 N -0.08 0.00 0.00 0.57 5.19 -1.78 -0.52 116.42 119.80 1q3k h ASP 45 Ca 0.29 0.00 -0.21 0.00 -0.62 0.00 0.00 57.03 56.49 1q3k h ASP 45 Cb 0.58 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 40.05 1q3k h ASP 45 CO -0.84 0.00 -1.34 0.52 -3.12 0.00 0.00 179.24 174.46 1q3k n VAL 46 N -2.74 1.51 -0.07 -1.35 0.31 -0.14 -4.08 118.33 111.78 1q3k n VAL 46 Ca -0.02 -0.03 -0.07 0.00 -0.01 0.00 0.00 64.34 64.20 1q3k n VAL 46 Cb 0.10 -2.10 -0.01 0.00 -0.91 0.00 0.00 33.84 30.92 1q3k n VAL 46 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1q3k h LEU 47 N -1.00 -0.43 0.50 7.52 3.38 -0.81 -0.83 115.31 123.64 1q3k h LEU 47 Ca -0.32 0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.74 1q3k h LEU 47 Cb 1.18 0.24 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 1q3k h LEU 47 CO -0.20 -0.16 -0.38 -0.07 0.09 0.00 0.00 178.44 177.72 1q3k h LEU 48 N -0.09 -1.00 -1.46 1.67 3.38 -1.34 0.11 115.31 116.57 1q3k h LEU 48 Ca 0.14 0.07 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 1q3k h LEU 48 Cb 0.30 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1q3k h LEU 48 CO -0.33 -0.56 -0.09 1.55 0.09 0.00 0.00 178.44 179.10 1q3k h PRO 49 N -0.87 0.24 -0.56 1.13 0.13 -1.72 -1.25 132.00 129.10 1q3k h PRO 49 Ca -0.05 -0.05 -0.05 0.00 -0.87 0.00 0.00 66.00 64.98 1q3k h PRO 49 Cb 0.73 -0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.80 1q3k h PRO 49 CO 0.01 0.35 0.17 1.15 -0.23 0.00 0.00 178.00 179.45 1q3k h THR 50 N 0.24 1.24 -0.61 1.56 2.02 -0.57 -0.15 112.91 116.64 1q3k h THR 50 Ca 0.05 -0.81 -0.04 0.00 0.77 0.00 0.00 66.41 66.38 1q3k h THR 50 Cb 0.31 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 67.39 1q3k h THR 50 CO 0.02 0.30 0.23 0.00 0.37 0.00 0.00 175.52 176.44 1q3k h ALA 51 N 1.04 0.80 -0.33 6.16 0.00 0.00 -0.38 119.26 126.55 1q3k h ALA 51 Ca 0.18 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1q3k h ALA 51 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1q3k h ALA 51 CO -0.01 0.43 -0.27 0.28 0.00 0.00 0.00 179.25 179.68 1q3k h VAL 52 N 0.86 1.28 0.03 0.00 2.07 -1.07 -2.65 116.25 116.76 1q3k h VAL 52 Ca 0.20 -1.39 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 1q3k h VAL 52 Cb 0.22 1.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 1q3k h VAL 52 CO -0.01 0.45 -0.01 0.00 0.02 0.00 0.00 177.57 178.01 1q3k h GLN 54 N -0.21 -0.06 -0.03 0.00 4.15 -1.01 0.24 115.11 118.19 1q3k h GLN 54 Ca -0.00 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 59.30 1q3k h GLN 54 Cb 0.19 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.88 1q3k h GLN 54 CO 0.01 -0.04 -0.53 0.00 -1.93 0.00 0.00 178.83 176.34 1q3k h ARG 55 N -0.07 0.09 -0.16 1.69 3.08 -1.35 -0.35 114.38 117.32 1q3k h ARG 55 Ca 0.22 -0.05 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1q3k h ARG 55 Cb 0.41 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.46 1q3k h ARG 55 CO -0.51 0.59 -0.20 0.28 -1.07 0.00 0.00 179.97 179.06 1q3k h VAL 56 N 0.07 1.35 -0.82 2.04 2.07 -0.45 -2.58 116.25 117.94 1q3k h VAL 56 Ca -0.00 -1.40 0.00 0.00 0.82 0.00 0.00 66.70 66.12 1q3k h VAL 56 Cb 0.95 1.90 -0.04 0.00 -1.52 0.00 0.00 31.29 32.59 1q3k h VAL 56 CO 0.07 0.42 0.52 0.00 0.02 0.00 0.00 177.57 178.60 1q3k h ALA 57 N 0.59 1.04 -0.72 1.67 0.00 -0.36 0.13 119.26 121.62 1q3k h ALA 57 Ca 0.02 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q3k h ALA 57 Cb 0.76 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.18 1q3k h ALA 57 CO 0.05 0.47 0.47 0.93 0.00 0.00 0.00 179.25 181.17 1q3k h GLU 58 N 1.11 0.89 0.08 0.00 5.08 -1.02 0.88 114.58 121.61 1q3k h GLU 58 Ca 0.30 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.34 1q3k h GLU 58 Cb -0.09 -0.20 0.01 0.00 0.50 0.00 0.00 28.75 28.97 1q3k h GLU 58 CO -0.06 0.59 -1.13 0.00 -1.00 0.00 0.00 179.01 177.41 1q3k h ARG 59 N 0.92 0.39 -0.01 2.33 2.47 -0.68 -3.34 114.38 116.45 1q3k h ARG 59 Ca 0.27 -0.53 0.00 0.00 -1.26 0.00 0.00 59.98 58.47 1q3k h ARG 59 Cb -0.03 0.18 0.00 0.00 -1.65 0.00 0.00 29.97 28.47 1q3k h ARG 59 CO -0.07 1.20 -0.16 0.44 0.56 0.00 0.00 179.97 181.95 1q3k n ILE 60 N -3.66 0.00 -2.71 2.04 -5.35 0.30 -5.00 119.36 104.97 1q3k n ILE 60 Ca -0.09 -0.42 -0.06 0.00 -0.27 0.00 0.00 62.75 61.91 1q3k n ILE 60 Cb 0.95 1.24 0.02 0.00 -1.74 0.00 0.00 39.64 40.11 1q3k n ILE 60 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q3k n GLY 61 N 0.97 0.49 3.97 3.28 0.00 0.30 -5.03 105.19 109.17 1q3k n GLY 61 Ca 0.07 -0.41 -0.22 0.00 0.00 0.00 0.00 46.02 45.46 1q3k n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q3k s ALA 62 N -3.09 4.57 0.06 4.61 0.00 -0.85 -4.77 121.76 122.29 1q3k s ALA 62 Ca 0.13 -1.76 0.09 0.00 0.00 0.00 0.00 51.96 50.42 1q3k s ALA 62 Cb -0.06 -1.14 -0.03 0.00 0.00 0.00 0.00 23.12 21.89 1q3k s ALA 62 CO 0.20 -0.65 -0.23 -0.51 0.00 0.00 0.00 175.76 174.56 1q3k s LEU 63 N -4.48 2.36 -0.14 0.00 1.43 -0.40 -4.67 118.68 112.77 1q3k s LEU 63 Ca 0.50 -0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.03 1q3k s LEU 63 Cb -0.04 -1.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.79 1q3k s LEU 63 CO 0.31 0.25 -0.10 -0.69 0.23 0.00 0.00 176.35 176.35 1q3k s VAL 64 N -0.89 3.32 0.64 -1.59 1.01 0.19 -0.30 120.40 122.79 1q3k s VAL 64 Ca 0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 61.98 61.45 1q3k s VAL 64 Cb -0.10 -2.42 -0.01 0.00 0.00 0.00 0.00 36.38 33.85 1q3k s VAL 64 CO 0.04 0.51 1.02 -0.76 0.00 0.00 0.00 175.10 175.90 1q3k s LEU 65 N 0.44 3.13 0.29 3.92 1.43 0.85 -1.26 118.68 127.48 1q3k s LEU 65 Ca -0.08 1.15 -0.30 0.00 -1.03 0.00 0.00 54.13 53.87 1q3k s LEU 65 Cb -0.15 -4.05 -0.11 0.00 0.03 0.00 0.00 46.19 41.91 1q3k s LEU 65 CO 0.04 -1.07 1.58 -2.84 0.23 0.00 0.00 176.35 174.29 1q3k s PRO 66 N -5.19 4.13 0.51 1.29 0.02 -1.26 -4.50 135.00 130.01 1q3k s PRO 66 Ca 0.55 2.55 -0.18 0.00 0.02 0.00 0.00 61.00 63.95 1q3k s PRO 66 Cb -0.11 -3.03 -0.07 0.00 0.02 0.00 0.00 34.50 31.31 1q3k s PRO 66 CO 0.51 -0.61 1.02 0.20 -0.33 0.00 0.00 177.00 177.79 1q3k s GLY 67 N 0.48 2.30 -0.34 0.52 0.00 -1.26 -4.68 107.32 104.33 1q3k s GLY 67 Ca 0.63 0.43 -0.29 0.00 0.00 0.00 0.00 44.72 45.49 1q3k s GLY 67 CO 0.48 0.74 1.11 1.08 0.00 0.00 0.00 173.10 176.51 1q3k s LEU 68 N -3.84 3.88 0.12 0.66 1.43 0.08 -4.90 118.68 116.10 1q3k s LEU 68 Ca 0.64 0.98 -0.09 0.00 -1.03 0.00 0.00 54.13 54.62 1q3k s LEU 68 Cb -0.14 -3.54 -0.10 0.00 0.03 0.00 0.00 46.19 42.43 1q3k s LEU 68 CO 0.26 -0.96 1.32 1.56 0.23 0.00 0.00 176.35 178.76 1q3k h GLN 69 N 8.41 0.64 -5.73 1.70 1.08 -1.89 -1.13 115.11 118.19 1q3k h GLN 69 Ca -0.21 -0.56 -0.66 0.00 -1.45 0.00 0.00 58.65 55.76 1q3k h GLN 69 Cb 1.06 0.13 -0.14 0.00 -0.05 0.00 0.00 27.48 28.49 1q3k h GLN 69 CO 1.05 1.18 -0.58 0.71 -0.95 0.00 0.00 178.83 180.24 1q3k s TYR 70 N -3.60 3.27 0.23 2.96 1.51 -1.26 -2.33 117.35 118.12 1q3k s TYR 70 Ca -0.08 0.22 0.00 0.00 -1.01 0.00 0.00 57.07 56.20 1q3k s TYR 70 Cb 0.09 -1.89 -0.00 0.00 -0.11 0.00 0.00 41.96 40.05 1q3k s TYR 70 CO 0.89 0.45 0.01 0.41 -1.11 0.00 0.00 175.55 176.20 1q3k n GLY 71 N 2.44 3.87 3.73 0.71 0.00 -1.16 -4.73 105.19 110.06 1q3k n GLY 71 Ca -0.18 -2.24 -0.32 0.00 0.00 0.00 0.00 46.02 43.28 1q3k n GLY 71 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1q3k s TYR 72 N -1.91 2.22 0.16 1.61 5.04 -1.26 -0.61 117.35 122.59 1q3k s TYR 72 Ca 0.02 1.64 -0.34 0.00 -2.44 0.00 0.00 57.07 55.95 1q3k s TYR 72 Cb 0.00 -3.20 -0.16 0.00 0.35 0.00 0.00 41.96 38.95 1q3k s TYR 72 CO 0.01 -2.20 1.26 1.63 -1.34 0.00 0.00 175.55 174.91 1q3k n LYS 73 N -3.53 1.32 -1.97 4.97 5.02 -1.24 -4.70 118.16 118.02 1q3k n LYS 73 Ca 0.11 0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 56.45 1q3k n LYS 73 Cb 0.52 -2.04 -0.03 0.00 -0.02 0.00 0.00 35.03 33.47 1q3k n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1q3k s SER 74 N 0.19 6.62 -0.07 4.39 0.15 -1.26 -4.91 113.70 118.81 1q3k s SER 74 Ca 0.75 2.62 -0.04 0.00 0.70 0.00 0.00 55.95 59.99 1q3k s SER 74 Cb -0.84 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 60.83 1q3k s SER 74 CO 0.50 -0.77 0.10 -1.10 1.20 0.00 0.00 173.24 173.16 1q3k s GLN 75 N 0.60 3.24 0.18 5.44 -1.52 -1.26 -1.65 119.66 124.69 1q3k s GLN 75 Ca 0.66 -0.30 -0.22 0.00 -1.95 0.00 0.00 55.36 53.55 1q3k s GLN 75 Cb -0.43 -3.00 0.09 0.00 -0.22 0.00 0.00 33.01 29.45 1q3k s GLN 75 CO 0.35 0.72 1.59 0.37 -0.25 0.00 0.00 175.29 178.07 1q3k h GLN 76 N 4.68 -0.20 -0.01 2.91 4.15 -1.90 0.53 115.11 125.28 1q3k h GLN 76 Ca -0.52 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1q3k h GLN 76 Cb 1.20 0.04 0.00 0.00 0.21 0.00 0.00 27.48 28.94 1q3k h GLN 76 CO 0.59 -0.13 0.00 1.63 -1.93 0.00 0.00 178.83 178.99 1q3k n LYS 77 N -5.42 1.04 0.00 1.69 5.02 -1.26 -2.51 118.16 116.72 1q3k n LYS 77 Ca 0.03 -0.06 0.00 0.00 -2.02 0.00 0.00 58.31 56.26 1q3k n LYS 77 Cb 0.35 -1.19 0.00 0.00 -0.02 0.00 0.00 35.03 34.16 1q3k n LYS 77 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1q3k n SER 78 N -0.63 1.57 -0.40 4.39 3.41 0.22 -4.50 113.62 117.69 1q3k n SER 78 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1q3k n SER 78 Cb 0.06 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 1q3k n SER 78 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1q3k n GLY 79 N 1.04 0.24 1.35 5.00 0.00 0.16 -4.47 105.19 108.51 1q3k n GLY 79 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1q3k n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 80 N 0.00 2.76 0.00 -0.02 0.00 -0.98 -4.76 105.19 102.19 1q3k n GLY 80 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.93 1q3k n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 81 N 0.00 3.23 1.07 -0.02 0.00 -1.22 -4.43 105.19 103.83 1q3k n GLY 81 Ca 0.00 -1.82 0.04 0.00 0.00 0.00 0.00 46.02 44.24 1q3k n GLY 81 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1q3k n ASN 82 N 0.00 3.01 0.07 1.61 2.85 -0.66 -3.74 115.26 118.40 1q3k n ASN 82 Ca 0.00 -2.37 0.10 0.00 -0.11 0.00 0.00 54.58 52.20 1q3k n ASN 82 Cb 0.00 -0.53 -0.05 0.00 1.24 0.00 0.00 39.78 40.44 1q3k n ASN 82 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1q3k n HIS 83 N 0.33 0.77 -2.05 1.20 1.44 -1.26 -4.93 115.22 110.71 1q3k n HIS 83 Ca 0.13 0.23 -0.40 0.00 -2.01 0.00 0.00 57.72 55.67 1q3k n HIS 83 Cb 0.63 -0.88 -0.01 0.00 0.12 0.00 0.00 29.99 29.85 1q3k n HIS 83 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1q3k s PHE 84 N -3.34 2.83 0.89 -1.40 0.40 -1.25 -5.00 117.98 111.11 1q3k s PHE 84 Ca -0.02 1.40 -0.11 0.00 -0.60 0.00 0.00 56.93 57.60 1q3k s PHE 84 Cb 0.10 -3.68 0.13 0.00 0.51 0.00 0.00 43.02 40.08 1q3k s PHE 84 CO 0.82 -2.09 1.10 -2.14 0.70 0.00 0.00 175.22 173.61 1q3k s PRO 85 N -2.21 1.28 0.00 0.24 0.02 -1.26 -3.64 135.00 129.43 1q3k s PRO 85 Ca 0.56 1.18 0.00 0.00 0.02 0.00 0.00 61.00 62.76 1q3k s PRO 85 Cb -0.38 -1.78 0.00 0.00 0.02 0.00 0.00 34.50 32.35 1q3k s PRO 85 CO 0.49 -2.33 0.00 0.41 -0.33 0.00 0.00 177.00 175.25 1q3k n GLY 86 N -0.52 1.73 3.69 0.52 0.00 -1.26 -4.62 105.19 104.73 1q3k n GLY 86 Ca 0.09 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 1q3k n GLY 86 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1q3k s THR 87 N 0.00 2.83 -0.25 2.61 -1.32 -1.24 -4.59 115.64 113.69 1q3k s THR 87 Ca 0.00 0.26 0.02 0.00 -1.21 0.00 0.00 61.69 60.75 1q3k s THR 87 Cb 0.00 -3.16 0.06 0.00 -1.51 0.00 0.00 72.50 67.89 1q3k s THR 87 CO 0.00 -0.00 -0.08 -0.89 -2.21 0.00 0.00 174.62 171.43 1q3k s THR 88 N 2.91 1.87 0.09 5.08 2.01 0.16 -4.94 115.64 122.83 1q3k s THR 88 Ca 0.78 -1.45 0.06 0.00 0.31 0.00 0.00 61.69 61.40 1q3k s THR 88 Cb -0.43 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 69.99 1q3k s THR 88 CO 0.35 -0.06 -0.09 -0.44 -0.69 0.00 0.00 174.62 173.69 1q3k s SER 89 N 1.24 4.49 0.27 3.53 0.01 -1.26 -4.20 113.70 117.77 1q3k s SER 89 Ca -0.08 -0.33 0.02 0.00 1.31 0.00 0.00 55.95 56.87 1q3k s SER 89 Cb -0.19 -0.90 -0.03 0.00 0.21 0.00 0.00 66.02 65.10 1q3k s SER 89 CO -0.06 0.19 0.43 -0.76 0.41 0.00 0.00 173.24 173.45 1q3k s LEU 90 N -2.12 4.20 0.67 2.44 1.43 0.22 -4.87 118.68 120.65 1q3k s LEU 90 Ca 0.21 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.43 1q3k s LEU 90 Cb -0.11 -3.07 0.01 0.00 0.03 0.00 0.00 46.19 43.04 1q3k s LEU 90 CO 0.13 -0.14 1.11 -1.81 0.23 0.00 0.00 176.35 175.87 1q3k s ASP 91 N -3.84 5.02 0.18 2.29 1.01 -1.26 -3.65 116.67 116.41 1q3k s ASP 91 Ca 0.37 1.98 -0.13 0.00 0.71 0.00 0.00 52.55 55.47 1q3k s ASP 91 Cb -0.10 -2.55 0.13 0.00 1.01 0.00 0.00 42.92 41.42 1q3k s ASP 91 CO 0.31 -1.69 1.77 1.23 0.21 0.00 0.00 175.17 177.01 1q3k h GLY 92 N -0.12 0.66 1.94 0.21 0.00 -1.98 -2.36 103.07 101.42 1q3k h GLY 92 Ca -0.46 -0.15 -0.01 0.00 0.00 0.00 0.00 47.33 46.71 1q3k h GLY 92 CO 0.54 0.08 -0.02 0.00 0.00 0.00 0.00 176.54 177.14 1q3k h ALA 93 N 1.28 1.87 -0.10 3.60 0.00 -1.99 -1.49 119.26 122.42 1q3k h ALA 93 Ca 0.22 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.02 1q3k h ALA 93 Cb 0.15 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 1q3k h ALA 93 CO -0.17 0.10 -0.13 1.15 0.00 0.00 0.00 179.25 180.20 1q3k h THR 94 N 0.07 1.37 -0.37 0.00 2.02 -1.80 -1.30 112.91 112.91 1q3k h THR 94 Ca 0.02 -1.35 -0.04 0.00 0.77 0.00 0.00 66.41 65.82 1q3k h THR 94 Cb 0.09 2.03 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 1q3k h THR 94 CO 0.00 0.38 0.09 0.25 0.37 0.00 0.00 175.52 176.61 1q3k h LEU 95 N -0.15 0.56 -0.51 2.58 5.85 -1.17 -1.61 115.31 120.85 1q3k h LEU 95 Ca 0.01 -0.23 0.06 0.00 0.84 0.00 0.00 57.88 58.55 1q3k h LEU 95 Cb 0.68 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.51 1q3k h LEU 95 CO 0.03 0.65 0.23 0.74 -0.34 0.00 0.00 178.44 179.75 1q3k h THR 96 N 0.44 0.90 -0.00 1.05 2.02 -1.26 -2.03 112.91 114.03 1q3k h THR 96 Ca 0.11 -0.15 -0.06 0.00 0.77 0.00 0.00 66.41 67.08 1q3k h THR 96 Cb 0.31 0.42 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1q3k h THR 96 CO 0.00 0.08 -0.29 1.23 0.37 0.00 0.00 175.52 176.91 1q3k h GLY 97 N 0.44 0.01 0.79 2.16 0.00 -0.92 -0.15 103.07 105.40 1q3k h GLY 97 Ca 0.24 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.50 1q3k h GLY 97 CO -0.20 0.00 -0.12 -0.84 0.00 0.00 0.00 176.54 175.39 1q3k h THR 98 N 0.01 1.32 -0.56 4.70 2.02 -0.92 0.31 112.91 119.79 1q3k h THR 98 Ca -0.00 -1.21 -0.11 0.00 0.77 0.00 0.00 66.41 65.85 1q3k h THR 98 Cb 0.52 1.71 -0.02 0.00 -1.74 0.00 0.00 68.15 68.62 1q3k h THR 98 CO 0.04 0.36 -0.08 0.58 0.37 0.00 0.00 175.52 176.79 1q3k h VAL 99 N 0.09 1.27 -0.36 3.16 2.07 -1.06 -1.42 116.25 120.01 1q3k h VAL 99 Ca 0.04 -1.24 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 1q3k h VAL 99 Cb 0.62 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1q3k h VAL 99 CO 0.03 0.44 0.15 -0.61 0.02 0.00 0.00 177.57 177.61 1q3k h GLN 100 N 0.93 0.52 -0.55 1.57 4.15 -0.99 -1.97 115.11 118.78 1q3k h GLN 100 Ca 0.15 -0.09 -0.07 0.00 0.77 0.00 0.00 58.65 59.41 1q3k h GLN 100 Cb 0.65 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1q3k h GLN 100 CO 0.04 0.50 0.08 -0.44 -1.93 0.00 0.00 178.83 177.08 1q3k h ASP 101 N 0.43 0.89 -0.34 -0.69 3.32 -0.73 -1.91 116.42 117.39 1q3k h ASP 101 Ca 0.12 -0.26 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 1q3k h ASP 101 Cb 0.16 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 1q3k h ASP 101 CO -0.01 0.93 0.19 0.40 -1.72 0.00 0.00 179.24 179.02 1q3k h ILE 102 N 0.81 1.14 -0.61 0.35 2.04 -1.13 -2.15 117.51 117.96 1q3k h ILE 102 Ca 0.17 -0.35 -0.08 0.00 1.00 0.00 0.00 64.86 65.59 1q3k h ILE 102 Cb 0.42 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.23 1q3k h ILE 102 CO 0.01 0.14 0.05 0.40 0.00 0.00 0.00 178.15 178.75 1q3k h ILE 103 N 0.43 1.26 -0.90 -0.67 2.04 -1.21 -0.42 117.51 118.04 1q3k h ILE 103 Ca 0.12 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.95 1q3k h ILE 103 Cb 0.05 0.74 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1q3k h ILE 103 CO -0.02 0.39 0.58 -0.09 0.00 0.00 0.00 178.15 179.01 1q3k h ARG 104 N 0.95 1.08 -0.25 2.37 2.43 -1.20 -0.53 114.38 119.24 1q3k h ARG 104 Ca 0.18 -0.07 -0.12 0.00 -0.81 0.00 0.00 59.98 59.17 1q3k h ARG 104 Cb 0.48 -0.24 -0.00 0.00 -0.42 0.00 0.00 29.97 29.79 1q3k h ARG 104 CO 0.02 0.72 -0.29 0.93 -1.51 0.00 0.00 179.97 179.83 1q3k h GLU 105 N 1.12 0.64 -0.47 0.20 4.39 -0.81 -2.47 114.58 117.17 1q3k h GLU 105 Ca 0.36 -0.35 0.03 0.00 0.34 0.00 0.00 59.36 59.74 1q3k h GLU 105 Cb 0.03 0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.66 1q3k h GLU 105 CO -0.13 0.96 0.25 -0.07 -1.16 0.00 0.00 179.01 178.87 1q3k h LEU 106 N 0.35 0.37 -0.96 1.33 3.38 -0.65 -1.44 115.31 117.69 1q3k h LEU 106 Ca 0.03 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.17 1q3k h LEU 106 Cb 0.87 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.47 1q3k h LEU 106 CO 0.07 0.26 0.58 0.00 0.09 0.00 0.00 178.44 179.44 1q3k h ALA 107 N 1.24 1.51 -0.78 1.53 0.00 -1.04 -0.23 119.26 121.48 1q3k h ALA 107 Ca 0.20 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 55.14 1q3k h ALA 107 Cb 0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 1q3k h ALA 107 CO -0.13 0.06 0.37 -0.09 0.00 0.00 0.00 179.25 179.47 1q3k h ARG 108 N 0.83 1.12 -0.56 0.00 2.43 -0.81 -2.15 114.38 115.24 1q3k h ARG 108 Ca 0.51 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1q3k h ARG 108 Cb 0.66 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.98 1q3k h ARG 108 CO -0.32 0.87 0.32 0.45 -1.51 0.00 0.00 179.97 179.78 1q3k h HIS 109 N 1.10 0.74 0.00 2.20 3.86 -0.18 -3.46 115.15 119.41 1q3k h HIS 109 Ca 0.27 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1q3k h HIS 109 Cb 0.12 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.35 1q3k h HIS 109 CO 0.01 0.51 0.00 0.41 0.86 0.00 0.00 177.93 179.72 1q3k n GLY 110 N -1.32 1.15 3.76 2.45 0.00 -0.81 -4.96 105.19 105.46 1q3k n GLY 110 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 1q3k n GLY 110 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1q3k s VAL 111 N -1.60 2.47 -0.00 1.61 1.01 -0.95 -4.93 120.40 118.02 1q3k s VAL 111 Ca 0.00 0.39 0.00 0.00 0.00 0.00 0.00 61.98 62.37 1q3k s VAL 111 Cb 0.00 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1q3k s VAL 111 CO 0.00 0.04 0.56 0.54 0.00 0.00 0.00 175.10 176.23 1q3k n ARG 112 N -0.27 0.11 -3.65 2.72 5.12 -1.26 -4.08 116.66 115.34 1q3k n ARG 112 Ca 0.06 -0.58 -0.23 0.00 -1.93 0.00 0.00 57.85 55.17 1q3k n ARG 112 Cb 0.44 -0.52 -0.17 0.00 -1.16 0.00 0.00 32.46 31.05 1q3k n ARG 112 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 1q3k s ARG 113 N -0.05 0.05 -0.01 5.56 0.52 -1.26 -0.83 118.95 122.93 1q3k s ARG 113 Ca 0.00 0.13 0.02 0.00 -0.52 0.00 0.00 55.73 55.36 1q3k s ARG 113 Cb 0.00 -1.18 -0.00 0.00 0.52 0.00 0.00 34.95 34.29 1q3k s ARG 113 CO 0.00 -0.49 -0.08 -1.17 0.02 0.00 0.00 175.30 173.58 1q3k s LEU 114 N 2.13 1.93 -0.18 2.53 2.96 -0.79 -1.78 118.68 125.48 1q3k s LEU 114 Ca 0.03 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 53.80 1q3k s LEU 114 Cb -0.14 -0.43 0.01 0.00 0.50 0.00 0.00 46.19 46.13 1q3k s LEU 114 CO -0.06 0.08 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.20 1q3k s VAL 115 N -0.04 2.45 -0.27 1.68 1.01 0.89 -0.86 120.40 125.25 1q3k s VAL 115 Ca 0.01 -0.82 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 1q3k s VAL 115 Cb -0.05 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.24 1q3k s VAL 115 CO -0.00 0.51 0.23 -0.76 0.00 0.00 0.00 175.10 175.08 1q3k s LEU 116 N 1.18 4.04 -0.40 3.92 1.43 0.23 -0.56 118.68 128.53 1q3k s LEU 116 Ca 0.02 0.09 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 1q3k s LEU 116 Cb -0.14 -2.20 0.10 0.00 0.03 0.00 0.00 46.19 43.98 1q3k s LEU 116 CO -0.07 -0.07 0.18 -0.32 0.23 0.00 0.00 176.35 176.30 1q3k s MET 117 N 1.73 2.11 0.22 1.70 1.75 0.11 -1.99 119.30 124.94 1q3k s MET 117 Ca 0.09 -1.71 -0.29 0.00 -1.25 0.00 0.00 55.69 52.53 1q3k s MET 117 Cb -0.16 -3.55 -0.09 0.00 2.84 0.00 0.00 34.83 33.88 1q3k s MET 117 CO 0.10 -1.00 0.90 1.21 -0.65 0.00 0.00 175.02 175.57 1q3k s ASN 118 N 1.78 7.57 0.00 1.11 3.04 -0.08 -1.19 114.94 127.17 1q3k s ASN 118 Ca 0.06 1.87 0.00 0.00 0.04 0.00 0.00 52.86 54.83 1q3k s ASN 118 Cb -0.22 -2.58 0.00 0.00 -1.54 0.00 0.00 41.25 36.91 1q3k s ASN 118 CO -0.03 0.17 0.25 0.61 -3.04 0.00 0.00 177.10 175.05 1q3k n GLY 119 N 1.49 -0.23 3.03 1.21 0.00 0.87 -3.57 105.19 107.98 1q3k n GLY 119 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1q3k n GLY 119 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q3k s HIS 120 N -0.43 2.67 0.26 1.61 5.65 -1.25 -4.67 115.29 119.13 1q3k s HIS 120 Ca 0.00 -1.79 -0.08 0.00 0.25 0.00 0.00 55.06 53.44 1q3k s HIS 120 Cb 0.00 -1.75 0.44 0.00 -1.18 0.00 0.00 32.58 30.09 1q3k s HIS 120 CO 0.00 -0.79 1.59 -0.92 -0.65 0.00 0.00 174.74 173.97 1q3k h TYR 121 N 7.92 -0.35 0.00 3.88 3.20 -1.93 -1.00 116.97 128.69 1q3k h TYR 121 Ca -0.28 0.07 0.00 0.00 3.14 0.00 0.00 58.73 61.67 1q3k h TYR 121 Cb 1.09 0.29 0.00 0.00 1.54 0.00 0.00 36.73 39.65 1q3k h TYR 121 CO 0.53 -0.37 0.00 0.93 -1.64 0.00 0.00 178.16 177.62 1q3k h GLU 122 N 0.01 0.00 -0.02 1.82 3.07 -1.92 -3.05 114.58 114.50 1q3k h GLU 122 Ca 0.44 0.00 -0.12 0.00 -0.50 0.00 0.00 59.36 59.18 1q3k h GLU 122 Cb 0.73 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.62 1q3k h GLU 122 CO -0.87 0.00 -0.55 -0.91 -1.40 0.00 0.00 179.01 175.27 1q3k h ASN 123 N 0.00 0.07 -0.27 1.42 2.35 -1.51 -3.40 115.58 114.24 1q3k h ASN 123 Ca 0.00 -0.04 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 1q3k h ASN 123 Cb 0.18 -0.02 -0.03 0.00 0.05 0.00 0.00 38.32 38.50 1q3k h ASN 123 CO 0.00 0.61 -0.16 -1.20 -1.65 0.00 0.00 177.43 175.03 1q3k n SER 124 N -3.89 -0.29 0.22 5.81 7.64 -1.15 -0.98 113.62 120.98 1q3k n SER 124 Ca -0.02 0.79 0.06 0.00 1.01 0.00 0.00 58.87 60.72 1q3k n SER 124 Cb 0.57 -0.21 0.51 0.00 -1.01 0.00 0.00 64.21 64.06 1q3k n SER 124 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 1q3k h MET 125 N 0.00 0.00 0.02 1.43 2.86 -1.88 -0.88 114.93 116.49 1q3k h MET 125 Ca 0.04 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.47 1q3k h MET 125 Cb 0.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1q3k h MET 125 CO -0.26 0.24 -0.95 0.74 1.06 0.00 0.00 176.91 177.74 1q3k h PHE 126 N 0.00 0.35 -0.57 -0.22 -1.00 -1.32 -1.23 116.94 112.95 1q3k h PHE 126 Ca -0.00 -0.20 -0.06 0.00 2.81 0.00 0.00 57.97 60.51 1q3k h PHE 126 Cb 0.47 -0.03 -0.02 0.00 3.61 0.00 0.00 35.95 39.97 1q3k h PHE 126 CO 0.00 1.05 0.11 0.82 -1.61 0.00 0.00 178.31 178.68 1q3k h ILE 127 N 0.11 1.25 -0.53 -0.55 2.04 -0.79 -1.70 117.51 117.34 1q3k h ILE 127 Ca -0.06 -0.94 -0.01 0.00 1.00 0.00 0.00 64.86 64.85 1q3k h ILE 127 Cb 1.61 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 38.43 1q3k h ILE 127 CO 0.15 0.34 0.28 0.58 0.00 0.00 0.00 178.15 179.51 1q3k h VAL 128 N 0.82 1.18 -0.79 1.67 2.07 -0.94 -0.68 116.25 119.58 1q3k h VAL 128 Ca 0.17 -0.48 -0.04 0.00 0.82 0.00 0.00 66.70 67.17 1q3k h VAL 128 Cb 0.39 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 1q3k h VAL 128 CO 0.01 0.20 0.34 -0.08 0.02 0.00 0.00 177.57 178.06 1q3k h GLU 129 N 0.71 1.16 -0.48 1.57 4.57 -1.15 0.35 114.58 121.31 1q3k h GLU 129 Ca 0.19 -0.19 -0.07 0.00 -1.18 0.00 0.00 59.36 58.10 1q3k h GLU 129 Cb 0.07 -0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 28.44 1q3k h GLU 129 CO -0.03 0.92 0.01 0.78 -1.18 0.00 0.00 179.01 179.51 1q3k h GLY 130 N 1.16 0.85 0.77 1.92 0.00 -0.84 0.10 103.07 107.03 1q3k h GLY 130 Ca 0.27 -0.56 -0.04 0.00 0.00 0.00 0.00 47.33 47.00 1q3k h GLY 130 CO -0.03 0.52 -0.05 -2.22 0.00 0.00 0.00 176.54 174.76 1q3k h ILE 131 N 0.74 1.29 -0.38 2.60 2.04 -0.65 -1.30 117.51 121.86 1q3k h ILE 131 Ca 0.15 -1.03 0.03 0.00 1.00 0.00 0.00 64.86 65.01 1q3k h ILE 131 Cb 0.44 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.12 1q3k h ILE 131 CO 0.02 0.31 0.17 -0.78 0.00 0.00 0.00 178.15 177.86 1q3k h ASP 132 N 0.02 0.23 -0.52 1.72 3.58 -0.63 -0.13 116.42 120.70 1q3k h ASP 132 Ca 0.04 0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.42 1q3k h ASP 132 Cb 0.49 -0.01 -0.02 0.00 1.72 0.00 0.00 39.33 41.51 1q3k h ASP 132 CO 0.02 0.17 -0.04 -0.07 -2.88 0.00 0.00 179.24 176.44 1q3k h LEU 133 N 0.35 0.96 -0.45 2.28 3.38 -0.72 -1.54 115.31 119.57 1q3k h LEU 133 Ca 0.16 -0.28 -0.06 0.00 0.09 0.00 0.00 57.88 57.80 1q3k h LEU 133 Cb 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1q3k h LEU 133 CO -0.14 1.04 0.06 0.00 0.09 0.00 0.00 178.44 179.49 1q3k h ALA 134 N 1.05 0.60 -0.13 1.53 0.00 -1.03 -2.68 119.26 118.60 1q3k h ALA 134 Ca 0.15 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1q3k h ALA 134 Cb 0.58 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1q3k h ALA 134 CO 0.03 0.34 -0.21 -0.07 0.00 0.00 0.00 179.25 179.35 1q3k h LEU 135 N 0.62 0.22 -0.35 0.00 3.38 -0.78 0.25 115.31 118.65 1q3k h LEU 135 Ca 0.14 -0.06 -0.06 0.00 0.09 0.00 0.00 57.88 57.99 1q3k h LEU 135 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 1q3k h LEU 135 CO 0.01 0.44 -0.01 -0.09 0.09 0.00 0.00 178.44 178.88 1q3k h ARG 136 N 0.21 0.62 -0.40 1.13 2.43 -1.17 -1.93 114.38 115.27 1q3k h ARG 136 Ca 0.04 -0.20 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1q3k h ARG 136 Cb 0.49 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1q3k h ARG 136 CO 0.03 0.74 0.14 1.49 -1.51 0.00 0.00 179.97 180.86 1q3k h GLU 137 N 0.43 0.62 -0.93 0.20 4.81 -1.06 -2.71 114.58 115.93 1q3k h GLU 137 Ca 0.10 -0.13 0.13 0.00 -0.13 0.00 0.00 59.36 59.33 1q3k h GLU 137 Cb 0.47 -0.09 -0.07 0.00 0.63 0.00 0.00 28.75 29.68 1q3k h GLU 137 CO 0.02 0.60 0.59 -0.07 -0.73 0.00 0.00 179.01 179.43 1q3k h LEU 138 N 0.50 0.78 -0.85 1.64 4.07 -0.57 -0.51 115.31 120.38 1q3k h LEU 138 Ca 0.13 0.04 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 1q3k h LEU 138 Cb 0.24 -0.12 -0.04 0.00 1.08 0.00 0.00 40.66 41.82 1q3k h LEU 138 CO -0.01 0.42 0.36 0.03 -1.08 0.00 0.00 178.44 178.16 1q3k h ARG 139 N 0.84 1.20 -0.26 1.13 3.08 -1.05 0.09 114.38 119.42 1q3k h ARG 139 Ca 0.46 -0.20 0.06 0.00 0.07 0.00 0.00 59.98 60.37 1q3k h ARG 139 Cb 0.57 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1q3k h ARG 139 CO -0.22 0.95 0.18 1.88 -1.07 0.00 0.00 179.97 181.69 1q3k h TYR 140 N 1.18 0.08 -0.45 3.04 0.99 -0.90 0.50 116.97 121.42 1q3k h TYR 140 Ca 0.28 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.01 1q3k h TYR 140 Cb 0.16 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.87 1q3k h TYR 140 CO 0.02 0.05 0.00 0.00 -0.00 0.00 0.00 178.16 178.22 1q3k n ALA 141 N -2.56 2.43 -0.97 3.88 0.00 -0.39 -4.92 120.51 117.98 1q3k n ALA 141 Ca 0.03 -0.81 0.00 0.00 0.00 0.00 0.00 53.44 52.66 1q3k n ALA 141 Cb 0.28 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 18.76 1q3k n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3k n GLY 142 N 1.25 0.85 3.52 0.00 0.00 0.17 -5.01 105.19 105.97 1q3k n GLY 142 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1q3k n GLY 142 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q3k s ILE 143 N -3.48 4.93 -0.59 -0.61 1.01 -0.12 -4.91 121.20 117.44 1q3k s ILE 143 Ca 0.00 0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.79 1q3k s ILE 143 Cb 0.00 -4.11 0.05 0.00 0.01 0.00 0.00 42.46 38.42 1q3k s ILE 143 CO 0.00 -0.46 0.73 1.41 0.00 0.00 0.00 174.94 176.62 1q3k n HIS 144 N 5.99 0.03 -0.76 3.97 8.25 -1.26 -3.57 115.22 127.87 1q3k n HIS 144 Ca -0.03 -0.08 0.08 0.00 -0.26 0.00 0.00 57.72 57.43 1q3k n HIS 144 Cb 0.48 -0.01 0.34 0.00 1.12 0.00 0.00 29.99 31.92 1q3k n HIS 144 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1q3k n ASP 145 N 0.23 4.79 -4.68 0.41 5.75 -1.26 -4.91 116.55 116.87 1q3k n ASP 145 Ca 0.03 -2.69 -0.41 0.00 -0.01 0.00 0.00 54.79 51.72 1q3k n ASP 145 Cb 0.16 -0.58 -0.05 0.00 -1.03 0.00 0.00 41.12 39.62 1q3k n ASP 145 CO 0.00 0.00 0.00 0.12 -0.11 0.00 0.00 177.20 177.21 1q3k s PHE 146 N -2.28 3.45 -0.05 2.11 5.36 -1.26 -4.82 117.98 120.49 1q3k s PHE 146 Ca 0.49 1.18 0.06 0.00 -0.96 0.00 0.00 56.93 57.70 1q3k s PHE 146 Cb 0.35 -2.92 -0.01 0.00 -0.34 0.00 0.00 43.02 40.10 1q3k s PHE 146 CO 0.18 -0.15 -0.23 0.21 -1.46 0.00 0.00 175.22 173.77 1q3k s LYS 147 N 1.76 2.33 -0.02 10.12 2.20 -0.01 -5.01 119.74 131.12 1q3k s LYS 147 Ca 0.36 -0.84 0.07 0.00 -0.36 0.00 0.00 55.97 55.20 1q3k s LYS 147 Cb -0.17 -2.01 -0.02 0.00 -1.51 0.00 0.00 37.83 34.13 1q3k s LYS 147 CO 0.13 0.36 -0.23 0.08 -0.36 0.00 0.00 175.35 175.34 1q3k s VAL 148 N -0.16 1.80 -0.17 4.02 1.01 -1.26 -1.88 120.40 123.76 1q3k s VAL 148 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1q3k s VAL 148 Cb -0.13 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1q3k s VAL 148 CO 0.03 0.50 -0.17 -0.69 0.00 0.00 0.00 175.10 174.78 1q3k s VAL 149 N -0.54 1.84 -0.06 2.92 1.01 -0.04 -5.00 120.40 120.54 1q3k s VAL 149 Ca 0.09 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1q3k s VAL 149 Cb -0.09 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.56 1q3k s VAL 149 CO -0.01 0.47 -0.12 -0.69 0.00 0.00 0.00 175.10 174.75 1q3k s VAL 150 N 1.37 3.27 -0.05 2.92 1.01 -1.26 0.77 120.40 128.43 1q3k s VAL 150 Ca 0.04 -0.64 -0.29 0.00 0.00 0.00 0.00 61.98 61.09 1q3k s VAL 150 Cb -0.13 -2.31 0.09 0.00 0.00 0.00 0.00 36.38 34.03 1q3k s VAL 150 CO -0.12 0.59 0.81 -1.48 0.00 0.00 0.00 175.10 174.90 1q3k s LEU 151 N -0.67 -0.50 -0.33 3.92 0.05 -0.84 -4.96 118.68 115.34 1q3k s LEU 151 Ca 0.10 0.40 -0.08 0.00 0.05 0.00 0.00 54.13 54.61 1q3k s LEU 151 Cb -0.11 2.24 0.02 0.00 -2.05 0.00 0.00 46.19 46.29 1q3k s LEU 151 CO 0.01 -0.57 0.12 -0.44 -0.55 0.00 0.00 176.35 174.92 1q3k s SER 152 N -1.58 5.35 0.44 1.48 0.01 -1.26 -0.90 113.70 117.23 1q3k s SER 152 Ca -0.04 -0.87 0.29 0.00 1.31 0.00 0.00 55.95 56.64 1q3k s SER 152 Cb -0.00 -1.92 1.37 0.00 0.21 0.00 0.00 66.02 65.68 1q3k s SER 152 CO 0.01 -0.27 1.67 0.10 0.41 0.00 0.00 173.24 175.16 1q3k h TYR 153 N 8.28 0.50 0.00 2.43 -0.00 -1.92 -0.05 116.97 126.21 1q3k h TYR 153 Ca -0.28 0.02 -0.02 0.00 0.00 0.00 0.00 58.73 58.45 1q3k h TYR 153 Cb 1.11 -0.13 -0.00 0.00 0.00 0.00 0.00 36.73 37.71 1q3k h TYR 153 CO 0.60 -0.12 -0.11 0.11 -0.00 0.00 0.00 178.16 178.64 1q3k h TRP 154 N 0.15 0.00 0.00 0.10 0.09 -1.95 -2.34 115.95 112.00 1q3k h TRP 154 Ca 0.76 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.74 1q3k h TRP 154 Cb 2.36 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.60 1q3k h TRP 154 CO -0.00 0.11 0.00 -0.25 0.09 0.00 0.00 178.44 178.38 1q3k n ASP 155 N -3.53 0.18 -0.04 0.11 8.00 -0.03 -1.58 116.55 119.65 1q3k n ASP 155 Ca -0.02 0.55 0.16 0.00 0.71 0.00 0.00 54.79 56.19 1q3k n ASP 155 Cb 0.24 -0.59 0.87 0.00 -0.02 0.00 0.00 41.12 41.63 1q3k n ASP 155 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 1q3k n PHE 156 N -1.70 0.00 -3.22 1.24 3.01 -0.88 -4.27 117.46 111.64 1q3k n PHE 156 Ca 0.02 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.04 1q3k n PHE 156 Cb 0.15 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1q3k n PHE 156 CO 0.00 0.00 0.00 0.28 1.01 0.00 0.00 176.76 178.05 1q3k n VAL 157 N -0.95 4.73 -0.07 -4.37 0.31 -0.62 -4.72 118.33 112.63 1q3k n VAL 157 Ca 0.22 -5.45 -0.08 0.00 -0.01 0.00 0.00 64.34 59.02 1q3k n VAL 157 Cb 0.16 -2.46 -0.11 0.00 -0.91 0.00 0.00 33.84 30.52 1q3k n VAL 157 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1q3k n LYS 158 N 2.59 1.57 -1.57 5.55 5.02 -1.26 -4.90 118.16 125.15 1q3k n LYS 158 Ca 0.26 0.01 -0.51 0.00 -2.02 0.00 0.00 58.31 56.05 1q3k n LYS 158 Cb 0.38 -1.35 -0.06 0.00 -0.02 0.00 0.00 35.03 33.97 1q3k n LYS 158 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1q3k n ASP 159 N -2.58 2.64 -0.20 4.39 2.03 -1.26 -4.82 116.55 116.75 1q3k n ASP 159 Ca -0.24 0.68 0.17 0.00 0.52 0.00 0.00 54.79 55.92 1q3k n ASP 159 Cb 0.93 -1.29 0.51 0.00 -0.72 0.00 0.00 41.12 40.55 1q3k n ASP 159 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1q3k h PRO 160 N 10.75 0.40 -0.48 -0.67 0.11 -1.98 0.27 132.00 140.41 1q3k h PRO 160 Ca -0.38 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.68 1q3k h PRO 160 Cb 1.30 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1q3k h PRO 160 CO 0.98 0.26 0.19 0.00 -0.21 0.00 0.00 178.00 179.22 1q3k h ALA 161 N 1.63 0.62 -0.11 -0.75 0.00 -1.98 0.58 119.26 119.24 1q3k h ALA 161 Ca 0.41 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 1q3k h ALA 161 Cb 0.99 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1q3k h ALA 161 CO -0.14 0.24 -0.64 0.28 0.00 0.00 0.00 179.25 178.98 1q3k h VAL 162 N 0.63 1.36 -0.31 0.00 2.07 -1.16 -0.46 116.25 118.38 1q3k h VAL 162 Ca 0.16 -1.99 -0.05 0.00 0.82 0.00 0.00 66.70 65.64 1q3k h VAL 162 Cb 0.20 1.98 -0.01 0.00 -1.52 0.00 0.00 31.29 31.94 1q3k h VAL 162 CO -0.01 0.60 -0.01 0.40 0.02 0.00 0.00 177.57 178.57 1q3k h ILE 163 N 0.31 1.26 -0.02 4.57 2.04 -0.19 0.95 117.51 126.44 1q3k h ILE 163 Ca -0.01 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 64.89 1q3k h ILE 163 Cb 1.19 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1q3k h ILE 163 CO 0.11 0.31 -0.05 -0.61 0.00 0.00 0.00 178.15 177.91 1q3k h GLN 164 N 0.34 -0.08 -0.47 2.37 4.15 0.26 0.80 115.11 122.47 1q3k h GLN 164 Ca 0.09 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.51 1q3k h GLN 164 Cb 0.46 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.14 1q3k h GLN 164 CO 0.02 -0.05 0.31 -0.09 -1.93 0.00 0.00 178.83 177.08 1q3k h ARG 165 N -0.08 0.62 -0.01 1.69 2.43 -0.95 -1.19 114.38 116.89 1q3k h ARG 165 Ca 0.03 -0.04 -0.14 0.00 -0.81 0.00 0.00 59.98 59.01 1q3k h ARG 165 Cb 0.12 -0.14 0.01 0.00 -0.42 0.00 0.00 29.97 29.54 1q3k h ARG 165 CO -0.07 0.42 -0.56 -0.07 -1.51 0.00 0.00 179.97 178.18 1q3k h LEU 166 N 0.64 0.51 -5.69 3.80 -0.00 0.03 -3.38 115.31 111.23 1q3k h LEU 166 Ca 0.17 -0.75 -0.61 0.00 -0.00 0.00 0.00 57.88 56.69 1q3k h LEU 166 Cb -0.06 -0.16 -0.41 0.00 -0.00 0.00 0.00 40.66 40.03 1q3k h LEU 166 CO -0.04 1.19 -0.49 -1.22 -0.00 0.00 0.00 178.44 177.88 1q3k n TYR 167 N -4.25 3.81 -1.85 1.13 4.02 0.27 -4.99 117.16 115.31 1q3k n TYR 167 Ca -0.10 -3.93 -0.22 0.00 -0.01 0.00 0.00 57.90 53.64 1q3k n TYR 167 Cb 0.65 -0.57 -0.08 0.00 -0.02 0.00 0.00 39.34 39.31 1q3k n TYR 167 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 1q3k s PRO 168 N -3.17 1.91 0.00 -0.72 0.02 -0.47 -0.60 135.00 131.97 1q3k s PRO 168 Ca 0.45 -0.67 0.00 0.00 0.02 0.00 0.00 61.00 60.80 1q3k s PRO 168 Cb 0.22 -5.09 0.00 0.00 0.02 0.00 0.00 34.50 29.66 1q3k s PRO 168 CO -0.09 -4.57 0.00 -1.91 -0.33 0.00 0.00 177.00 170.10 1q3k n GLU 169 N 8.33 0.00 0.00 5.54 4.07 -1.26 -5.12 120.64 132.20 1q3k n GLU 169 Ca 0.43 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.53 1q3k n GLU 169 Cb 0.46 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 1q3k n GLU 169 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1q3k n GLY 170 N 0.00 0.88 3.71 8.31 0.00 0.23 -4.98 105.19 113.34 1q3k n GLY 170 Ca 0.00 -1.57 -0.39 0.00 0.00 0.00 0.00 46.02 44.05 1q3k n GLY 170 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1q3k s PHE 171 N -2.08 3.56 0.04 1.61 5.99 -1.26 -4.88 117.98 120.96 1q3k s PHE 171 Ca 0.00 1.18 -0.04 0.00 0.00 0.00 0.00 56.93 58.07 1q3k s PHE 171 Cb 0.00 -2.77 -0.28 0.00 0.00 0.00 0.00 43.02 39.97 1q3k s PHE 171 CO 0.00 0.08 1.00 -0.07 -0.00 0.00 0.00 175.22 176.23 1q3k h LEU 172 N 6.83 0.42 0.00 6.12 3.38 -1.96 -3.50 115.31 126.60 1q3k h LEU 172 Ca -0.40 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.06 1q3k h LEU 172 Cb 1.19 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1q3k h LEU 172 CO 0.76 1.41 0.00 0.61 0.09 0.00 0.00 178.44 181.30 1q3k n GLY 173 N 1.60 3.84 0.30 0.83 0.00 -1.26 -4.89 105.19 105.60 1q3k n GLY 173 Ca -0.12 -1.61 0.19 0.00 0.00 0.00 0.00 46.02 44.48 1q3k n GLY 173 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 173.32 174.81 1q3k h TRP 174 N 0.00 0.00 0.32 1.61 -0.00 -1.97 -3.17 115.95 112.75 1q3k h TRP 174 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 1q3k h TRP 174 Cb 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 29.16 29.13 1q3k h TRP 174 CO 0.00 0.02 -0.45 -0.44 -0.00 0.00 0.00 178.44 177.57 1q3k h ASP 175 N 0.00 -1.28 -0.14 -3.49 3.45 -1.90 -2.47 116.42 110.59 1q3k h ASP 175 Ca -0.00 0.12 0.00 0.00 0.43 0.00 0.00 57.03 57.58 1q3k h ASP 175 Cb 0.27 0.45 0.00 0.00 -0.56 0.00 0.00 39.33 39.49 1q3k h ASP 175 CO 0.00 -0.57 0.00 2.30 -1.57 0.00 0.00 179.24 179.40 1q3k n ILE 176 N -5.51 0.19 -0.76 0.35 -5.35 -1.20 -4.33 119.36 102.74 1q3k n ILE 176 Ca -0.10 -0.22 -0.07 0.00 -0.27 0.00 0.00 62.75 62.10 1q3k n ILE 176 Cb 0.42 0.10 -0.08 0.00 -1.74 0.00 0.00 39.64 38.33 1q3k n ILE 176 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1q3k n GLU 177 N -0.06 1.52 -3.55 6.28 -0.58 -0.93 -3.09 120.64 120.23 1q3k n GLU 177 Ca 0.10 -0.55 -0.41 0.00 -0.42 0.00 0.00 57.16 55.88 1q3k n GLU 177 Cb 0.18 -1.51 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 1q3k n GLU 177 CO 0.00 0.00 0.00 -1.58 -0.48 0.00 0.00 177.13 175.07 1q3k s HIS 178 N 0.39 3.25 -0.51 -0.32 5.65 -1.26 -4.25 115.29 118.23 1q3k s HIS 178 Ca 0.33 -0.85 0.00 0.00 0.25 0.00 0.00 55.06 54.79 1q3k s HIS 178 Cb 0.16 -2.51 0.00 0.00 -1.18 0.00 0.00 32.58 29.05 1q3k s HIS 178 CO -0.00 -0.64 0.00 0.41 -0.65 0.00 0.00 174.74 173.86 1q3k n GLY 179 N 5.06 0.74 0.00 1.59 0.00 -1.26 -2.07 105.19 109.24 1q3k n GLY 179 Ca -0.11 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.42 1q3k n GLY 179 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q3k n GLY 180 N -1.96 1.08 0.18 -0.02 0.00 -1.26 -4.36 105.19 98.86 1q3k n GLY 180 Ca -0.05 -1.75 -0.15 0.00 0.00 0.00 0.00 46.02 44.07 1q3k n GLY 180 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q3k h VAL 181 N 0.00 0.71 -0.06 1.61 2.07 -1.85 -1.67 116.25 117.06 1q3k h VAL 181 Ca 0.00 -0.01 0.03 0.00 0.82 0.00 0.00 66.70 67.54 1q3k h VAL 181 Cb 0.00 0.72 -0.06 0.00 -1.52 0.00 0.00 31.29 30.43 1q3k h VAL 181 CO 0.00 0.00 -0.47 0.15 0.02 0.00 0.00 177.57 177.27 1q3k h PHE 182 N -0.40 -1.36 -0.19 1.57 3.57 -1.94 -0.10 116.94 118.09 1q3k h PHE 182 Ca -0.04 0.05 -0.19 0.00 3.53 0.00 0.00 57.97 61.32 1q3k h PHE 182 Cb 0.31 0.60 0.01 0.00 2.79 0.00 0.00 35.95 39.66 1q3k h PHE 182 CO -0.06 -0.52 -0.62 0.93 -2.23 0.00 0.00 178.31 175.81 1q3k h GLU 183 N -0.58 0.75 -0.90 1.11 5.08 -1.84 -2.53 114.58 115.67 1q3k h GLU 183 Ca 0.05 -0.56 -0.01 0.00 -1.00 0.00 0.00 59.36 57.83 1q3k h GLU 183 Cb 0.67 0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.98 1q3k h GLU 183 CO -0.37 1.18 0.50 1.15 -1.00 0.00 0.00 179.01 180.47 1q3k h THR 184 N 0.47 1.26 0.07 1.13 2.02 -1.23 -0.38 112.91 116.25 1q3k h THR 184 Ca -0.03 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.54 1q3k h THR 184 Cb 1.25 0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 1q3k h THR 184 CO 0.13 0.28 -0.03 0.28 0.37 0.00 0.00 175.52 176.55 1q3k h SER 185 N 1.25 -0.08 -0.01 4.18 0.02 -1.03 0.77 113.55 118.65 1q3k h SER 185 Ca 0.32 -0.31 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1q3k h SER 185 Cb 0.01 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 62.57 1q3k h SER 185 CO -0.05 0.28 0.00 0.25 -1.14 0.00 0.00 176.83 176.16 1q3k h LEU 186 N -0.45 0.02 -0.44 5.07 5.85 -1.39 -0.08 115.31 123.89 1q3k h LEU 186 Ca -0.01 -0.00 -0.14 0.00 0.84 0.00 0.00 57.88 58.57 1q3k h LEU 186 Cb 0.39 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 1q3k h LEU 186 CO 0.02 0.02 -0.66 -0.03 -0.34 0.00 0.00 178.44 177.45 1q3k h MET 187 N 0.02 0.00 0.00 1.25 4.05 -0.53 -2.92 114.93 116.80 1q3k h MET 187 Ca 0.01 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 59.34 1q3k h MET 187 Cb 0.02 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 1q3k h MET 187 CO 0.00 0.66 -0.42 -0.07 0.23 0.00 0.00 176.91 177.31 1q3k h LEU 188 N 0.00 0.00 -0.27 3.39 3.38 0.10 0.12 115.31 122.04 1q3k h LEU 188 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1q3k h LEU 188 Cb 1.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1q3k h LEU 188 CO 0.09 0.42 -0.45 0.00 0.09 0.00 0.00 178.44 178.59 1q3k n ALA 189 N -2.28 3.47 -0.00 1.53 0.00 -0.85 -4.12 120.51 118.26 1q3k n ALA 189 Ca 0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 1q3k n ALA 189 Cb 0.57 -1.07 -0.00 0.00 0.00 0.00 0.00 19.45 18.95 1q3k n ALA 189 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1q3k n LEU 190 N -1.06 0.34 -3.33 0.00 4.77 -1.11 -4.94 117.00 111.68 1q3k n LEU 190 Ca 0.08 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.81 1q3k n LEU 190 Cb 0.35 -0.01 -0.08 0.00 -2.33 0.00 0.00 43.42 41.35 1q3k n LEU 190 CO 0.32 0.06 -0.18 -1.22 -1.33 0.00 0.00 177.39 175.04 1q3k n TYR 191 N -2.97 0.93 -0.25 -1.77 4.02 0.02 -4.96 117.16 112.18 1q3k n TYR 191 Ca -0.01 -3.75 0.11 0.00 -0.01 0.00 0.00 57.90 54.25 1q3k n TYR 191 Cb 0.51 -0.35 0.38 0.00 -0.02 0.00 0.00 39.34 39.86 1q3k n TYR 191 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 176.86 174.50 1q3k h PRO 192 N 4.34 0.67 0.00 -0.72 0.11 -1.68 -2.02 132.00 132.70 1q3k h PRO 192 Ca 0.14 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.20 1q3k h PRO 192 Cb 0.81 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 31.77 1q3k h PRO 192 CO 0.57 0.44 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.32 1q3k h ASP 193 N 0.69 0.00 0.12 -2.05 3.32 -1.93 -1.28 116.42 115.30 1q3k h ASP 193 Ca 0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.47 1q3k h ASP 193 Cb 0.64 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.19 1q3k h ASP 193 CO -0.18 0.05 -0.11 0.18 -1.72 0.00 0.00 179.24 177.46 1q3k n LEU 194 N -3.63 1.12 -4.08 1.55 4.77 -0.76 -4.86 117.00 111.11 1q3k n LEU 194 Ca -0.02 -0.33 -0.23 0.00 -0.03 0.00 0.00 56.01 55.40 1q3k n LEU 194 Cb 0.15 -0.07 -0.15 0.00 -2.33 0.00 0.00 43.42 41.02 1q3k n LEU 194 CO 0.27 0.20 -0.47 0.54 -1.33 0.00 0.00 177.39 176.60 1q3k s VAL 195 N -2.24 1.09 -0.37 4.08 0.11 -0.48 -2.55 120.40 120.04 1q3k s VAL 195 Ca 0.32 -0.56 0.00 0.00 -2.93 0.00 0.00 61.98 58.81 1q3k s VAL 195 Cb 0.20 -0.93 0.13 0.00 -1.53 0.00 0.00 36.38 34.25 1q3k s VAL 195 CO 0.42 0.32 0.20 -0.62 -3.33 0.00 0.00 175.10 172.09 1q3k s ASP 196 N -0.09 3.37 0.66 3.54 2.15 -0.20 -4.91 116.67 121.19 1q3k s ASP 196 Ca 0.01 -2.18 0.21 0.00 0.43 0.00 0.00 52.55 51.02 1q3k s ASP 196 Cb -0.08 -0.65 1.12 0.00 -0.30 0.00 0.00 42.92 43.01 1q3k s ASP 196 CO 0.00 -0.32 1.63 -0.07 -0.17 0.00 0.00 175.17 176.24 1q3k h LEU 197 N 7.19 0.00 -1.33 -1.34 -0.00 -1.96 -1.01 115.31 116.86 1q3k h LEU 197 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 1q3k h LEU 197 Cb 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.63 1q3k h LEU 197 CO 0.38 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.49 1q3k h GLU 198 N 0.00 0.00 -0.00 1.13 5.08 -1.95 -2.84 114.58 115.99 1q3k h GLU 198 Ca 0.04 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.40 1q3k h GLU 198 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1q3k h GLU 198 CO -0.00 0.00 -0.51 0.54 -1.00 0.00 0.00 179.01 178.04 1q3k n ARG 199 N -3.03 0.36 -1.49 2.33 1.74 -0.38 -4.90 116.66 111.28 1q3k n ARG 199 Ca 0.01 -0.24 -0.51 0.00 -0.77 0.00 0.00 57.85 56.34 1q3k n ARG 199 Cb 0.31 -1.50 -0.07 0.00 -1.02 0.00 0.00 32.46 30.19 1q3k n ARG 199 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 1q3k n VAL 200 N -1.11 0.24 -2.87 1.55 0.31 -1.08 -4.48 118.33 110.89 1q3k n VAL 200 Ca 0.08 -0.22 -0.43 0.00 -0.01 0.00 0.00 64.34 63.75 1q3k n VAL 200 Cb 0.35 -1.62 -0.03 0.00 -0.91 0.00 0.00 33.84 31.63 1q3k n VAL 200 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 1q3k s VAL 201 N 6.60 4.50 0.59 2.52 1.01 -1.26 -4.97 120.40 129.40 1q3k s VAL 201 Ca 1.07 -1.04 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1q3k s VAL 201 Cb -0.87 -4.77 -0.04 0.00 0.00 0.00 0.00 36.38 30.71 1q3k s VAL 201 CO 0.51 -1.53 1.21 -0.67 0.00 0.00 0.00 175.10 174.63 1q3k n ASP 202 N 7.20 1.86 -3.55 3.32 -0.08 -1.26 -4.89 116.55 119.15 1q3k n ASP 202 Ca 0.14 0.88 -0.08 0.00 -1.51 0.00 0.00 54.79 54.22 1q3k n ASP 202 Cb 0.48 -1.51 -0.02 0.00 2.34 0.00 0.00 41.12 42.41 1q3k n ASP 202 CO 0.00 0.00 0.00 -1.38 0.12 0.00 0.00 177.20 175.94 1q3k s HIS 203 N -1.39 -0.32 0.61 -0.67 -3.43 -1.26 -5.05 115.29 103.78 1q3k s HIS 203 Ca 0.77 0.14 -0.17 0.00 -0.80 0.00 0.00 55.06 55.00 1q3k s HIS 203 Cb -0.41 0.56 -0.03 0.00 -1.43 0.00 0.00 32.58 31.28 1q3k s HIS 203 CO 0.46 -0.63 1.13 -2.14 -2.00 0.00 0.00 174.74 171.55 1q3k s PRO 204 N -3.21 3.02 0.33 -0.38 0.02 -1.26 -4.08 135.00 129.44 1q3k s PRO 204 Ca 0.06 1.53 -0.27 0.00 0.02 0.00 0.00 61.00 62.34 1q3k s PRO 204 Cb -0.01 -1.97 -0.13 0.00 0.02 0.00 0.00 34.50 32.41 1q3k s PRO 204 CO -0.07 -1.10 1.07 -2.30 -0.33 0.00 0.00 177.00 174.27 1q3k n PRO 205 N -1.90 1.53 -2.07 5.54 -0.02 -1.26 -4.81 135.00 132.01 1q3k n PRO 205 Ca 0.11 0.54 -0.41 0.00 -2.02 0.00 0.00 63.50 61.72 1q3k n PRO 205 Cb 0.51 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.98 1q3k n PRO 205 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q3k s ALA 206 N -1.12 3.51 0.03 3.55 0.00 -0.17 -5.01 121.76 122.54 1q3k s ALA 206 Ca 0.59 1.30 0.05 0.00 0.00 0.00 0.00 51.96 53.90 1q3k s ALA 206 Cb -0.64 -3.50 -0.02 0.00 0.00 0.00 0.00 23.12 18.97 1q3k s ALA 206 CO 0.60 -0.70 -0.15 0.99 0.00 0.00 0.00 175.76 176.50 1q3k s THR 207 N -1.14 1.20 0.05 0.00 2.01 -1.26 -4.97 115.64 111.52 1q3k s THR 207 Ca 0.49 -0.92 -0.01 0.00 0.31 0.00 0.00 61.69 61.56 1q3k s THR 207 Cb -0.41 -1.06 -0.03 0.00 0.01 0.00 0.00 72.50 71.01 1q3k s THR 207 CO 0.54 0.12 -0.02 -0.36 -0.69 0.00 0.00 174.62 174.22 1q3k s PHE 208 N -0.70 0.45 1.01 4.92 0.40 -1.26 -5.07 117.98 117.74 1q3k s PHE 208 Ca 0.04 -0.95 -0.12 0.00 -0.60 0.00 0.00 56.93 55.30 1q3k s PHE 208 Cb -0.07 -0.34 0.20 0.00 0.51 0.00 0.00 43.02 43.31 1q3k s PHE 208 CO 0.01 -0.35 1.08 -2.14 0.70 0.00 0.00 175.22 174.51 1q3k s PRO 209 N -3.47 0.32 0.00 0.24 0.02 -1.26 -4.89 135.00 125.96 1q3k s PRO 209 Ca 0.03 0.90 0.00 0.00 0.02 0.00 0.00 61.00 61.95 1q3k s PRO 209 Cb 0.05 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.87 1q3k s PRO 209 CO -0.08 -2.91 0.58 -2.30 -0.33 0.00 0.00 177.00 171.96 1q3k n PRO 210 N -4.35 0.58 -3.92 5.54 -0.02 -1.26 -4.79 135.00 126.77 1q3k n PRO 210 Ca 0.06 0.00 -0.09 0.00 -2.02 0.00 0.00 63.50 61.45 1q3k n PRO 210 Cb 0.55 -1.21 -0.03 0.00 -0.02 0.00 0.00 33.50 32.79 1q3k n PRO 210 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 1q3k s TYR 211 N 0.39 0.19 0.26 6.00 -0.85 -1.26 -5.18 117.35 116.90 1q3k s TYR 211 Ca 0.00 -0.63 0.12 0.00 -0.52 0.00 0.00 57.07 56.04 1q3k s TYR 211 Cb 0.00 0.47 -0.05 0.00 0.38 0.00 0.00 41.96 42.76 1q3k s TYR 211 CO 0.00 -1.21 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.11 1q3k s ASP 212 N -3.01 3.57 -0.01 -0.18 1.01 -1.26 -5.08 116.67 111.70 1q3k s ASP 212 Ca 0.18 -1.00 0.03 0.00 0.71 0.00 0.00 52.55 52.47 1q3k s ASP 212 Cb -0.03 -0.30 -0.01 0.00 1.01 0.00 0.00 42.92 43.59 1q3k s ASP 212 CO 0.10 0.05 -0.11 -0.69 0.21 0.00 0.00 175.17 174.74 1q3k s VAL 213 N -2.36 0.85 0.00 -1.27 1.01 -1.26 -5.13 120.40 112.23 1q3k s VAL 213 Ca 0.28 -0.45 -0.00 0.00 0.00 0.00 0.00 61.98 61.82 1q3k s VAL 213 Cb -0.06 -0.71 -0.00 0.00 0.00 0.00 0.00 36.38 35.61 1q3k s VAL 213 CO 0.14 0.24 -0.00 -0.36 0.00 0.00 0.00 175.10 175.12 1q3k s PHE 214 N -0.17 0.04 0.63 5.22 0.40 -1.26 -3.42 117.98 119.42 1q3k s PHE 214 Ca 0.03 -0.09 -0.18 0.00 -0.60 0.00 0.00 56.93 56.09 1q3k s PHE 214 Cb -0.05 -0.03 -0.04 0.00 0.51 0.00 0.00 43.02 43.41 1q3k s PHE 214 CO -0.00 -0.03 0.90 -2.30 0.70 0.00 0.00 175.22 174.48 1q3k n PRO 215 N 2.83 0.75 -1.68 0.24 -0.02 -1.26 -5.05 135.00 130.81 1q3k n PRO 215 Ca -0.14 0.30 -0.44 0.00 -2.02 0.00 0.00 63.50 61.20 1q3k n PRO 215 Cb 0.59 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.93 1q3k n PRO 215 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 1q3k n VAL 216 N -1.91 0.62 -3.28 -1.45 3.14 -1.22 -4.96 118.33 109.27 1q3k n VAL 216 Ca 0.14 -0.16 -0.44 0.00 -2.96 0.00 0.00 64.34 60.92 1q3k n VAL 216 Cb 0.48 -1.60 -0.07 0.00 -1.06 0.00 0.00 33.84 31.59 1q3k n VAL 216 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 1q3k s ASP 217 N 0.56 6.19 0.47 6.55 -1.08 -1.26 -4.96 116.67 123.13 1q3k s ASP 217 Ca 0.71 -1.05 0.21 0.00 -0.52 0.00 0.00 52.55 51.89 1q3k s ASP 217 Cb -0.63 -2.23 1.20 0.00 -1.46 0.00 0.00 42.92 39.81 1q3k s ASP 217 CO 0.45 -0.74 1.93 -0.65 0.52 0.00 0.00 175.17 176.68 1q3k h PRO 218 N 8.85 0.24 0.00 4.34 0.11 -1.95 0.56 132.00 144.16 1q3k h PRO 218 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 1q3k h PRO 218 Cb 1.10 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1q3k h PRO 218 CO 0.90 0.16 0.00 0.00 -0.21 0.00 0.00 178.00 178.85 1q3k n ALA 219 N -2.58 1.34 1.36 -0.75 0.00 -1.26 -1.87 120.51 116.75 1q3k n ALA 219 Ca 0.14 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.86 1q3k n ALA 219 Cb 0.63 -1.35 0.45 0.00 0.00 0.00 0.00 19.45 19.19 1q3k n ALA 219 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1q3k n ARG 220 N -2.24 1.16 -4.81 0.00 1.74 0.19 -4.81 116.66 107.90 1q3k n ARG 220 Ca 0.00 -0.66 -0.33 0.00 -0.77 0.00 0.00 57.85 56.09 1q3k n ARG 220 Cb 0.13 -1.49 -0.13 0.00 -1.02 0.00 0.00 32.46 29.95 1q3k n ARG 220 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 1q3k s THR 221 N -2.30 3.16 0.17 0.55 2.01 -0.78 -4.94 115.64 113.51 1q3k s THR 221 Ca 0.30 -0.66 -0.34 0.00 0.31 0.00 0.00 61.69 61.30 1q3k s THR 221 Cb 0.20 -2.28 -0.15 0.00 0.01 0.00 0.00 72.50 70.28 1q3k s THR 221 CO 0.44 0.56 1.37 -2.65 -0.69 0.00 0.00 174.62 173.66 1q3k n PRO 222 N 2.78 1.63 -0.30 4.92 -0.02 -1.26 -4.81 135.00 137.93 1q3k n PRO 222 Ca -0.18 0.58 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 1q3k n PRO 222 Cb 0.52 -2.22 0.31 0.00 -0.02 0.00 0.00 33.50 32.10 1q3k n PRO 222 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1q3k h ALA 223 N 4.48 1.35 0.00 3.55 0.00 -1.90 0.52 119.26 127.26 1q3k h ALA 223 Ca -0.45 0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1q3k h ALA 223 Cb 1.30 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.41 1q3k h ALA 223 CO 0.78 -0.50 -0.00 -1.35 0.00 0.00 0.00 179.25 178.18 1q3k h PRO 224 N 0.20 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.92 1q3k h PRO 224 Ca 0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.69 1q3k h PRO 224 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 1q3k h PRO 224 CO -0.67 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.53 1q3k n GLY 225 N -1.24 3.11 3.86 -0.55 0.00 0.17 -3.64 105.19 106.91 1q3k n GLY 225 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 1q3k n GLY 225 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1q3k s THR 226 N -2.73 4.68 -1.37 2.61 -4.23 -1.26 -4.33 115.64 109.01 1q3k s THR 226 Ca 0.00 0.91 0.17 0.00 -1.18 0.00 0.00 61.69 61.59 1q3k s THR 226 Cb 0.00 -3.82 -0.05 0.00 1.34 0.00 0.00 72.50 69.98 1q3k s THR 226 CO 0.00 -0.96 0.84 0.18 -0.54 0.00 0.00 174.62 174.14 1q3k n LEU 227 N -2.29 1.46 -3.51 4.79 4.77 -0.88 -4.31 117.00 117.03 1q3k n LEU 227 Ca 0.06 -0.70 -0.15 0.00 -0.03 0.00 0.00 56.01 55.19 1q3k n LEU 227 Cb 0.54 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 1q3k n LEU 227 CO 0.54 0.29 0.52 -0.94 -1.33 0.00 0.00 177.39 176.47 1q3k s SER 228 N -2.11 -0.56 0.31 -1.43 1.04 -1.18 -1.00 113.70 108.77 1q3k s SER 228 Ca 0.12 0.49 -0.28 0.00 0.48 0.00 0.00 55.95 56.76 1q3k s SER 228 Cb 0.13 0.49 -0.09 0.00 0.10 0.00 0.00 66.02 66.65 1q3k s SER 228 CO 0.48 -0.61 1.09 -0.55 0.98 0.00 0.00 173.24 174.63 1q3k s SER 229 N -1.52 7.13 -0.28 7.02 0.15 -1.26 -4.04 113.70 120.90 1q3k s SER 229 Ca -0.06 2.23 0.09 0.00 0.70 0.00 0.00 55.95 58.91 1q3k s SER 229 Cb -0.00 -2.62 0.50 0.00 -1.71 0.00 0.00 66.02 62.18 1q3k s SER 229 CO 0.03 -0.24 1.43 0.00 1.20 0.00 0.00 173.24 175.67 1q3k n ALA 230 N 0.88 4.21 0.04 5.45 0.00 -1.26 -3.86 120.51 125.97 1q3k n ALA 230 Ca 0.00 -3.15 -0.06 0.00 0.00 0.00 0.00 53.44 50.23 1q3k n ALA 230 Cb 0.46 -0.69 0.12 0.00 0.00 0.00 0.00 19.45 19.34 1q3k n ALA 230 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 1q3k h LYS 231 N 1.01 0.40 -0.05 0.00 2.10 -1.93 -2.44 116.57 115.65 1q3k h LYS 231 Ca 0.19 -0.23 0.00 0.00 -2.00 0.00 0.00 60.65 58.61 1q3k h LYS 231 Cb 1.57 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.92 1q3k h LYS 231 CO 0.34 0.81 0.00 0.25 -2.00 0.00 0.00 179.45 178.84 1q3k n THR 232 N -3.97 0.07 -2.49 0.07 -2.24 -1.26 -4.84 114.28 99.62 1q3k n THR 232 Ca -0.02 -0.07 -0.42 0.00 -2.27 0.00 0.00 64.05 61.27 1q3k n THR 232 Cb 0.56 0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.78 1q3k n THR 232 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1q3k s ALA 233 N -1.93 3.38 0.08 6.98 0.00 -0.92 -5.03 121.76 124.31 1q3k s ALA 233 Ca 0.05 0.72 0.04 0.00 0.00 0.00 0.00 51.96 52.77 1q3k s ALA 233 Cb 0.03 -3.45 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 1q3k s ALA 233 CO 0.04 -0.50 -0.12 -1.54 0.00 0.00 0.00 175.76 173.65 1q3k s SER 234 N 1.17 1.45 0.31 0.00 1.04 -1.26 -4.84 113.70 111.57 1q3k s SER 234 Ca 0.56 -0.68 0.01 0.00 0.48 0.00 0.00 55.95 56.32 1q3k s SER 234 Cb -0.26 -0.01 0.54 0.00 0.10 0.00 0.00 66.02 66.38 1q3k s SER 234 CO 0.27 -0.17 1.93 -0.09 0.98 0.00 0.00 173.24 176.15 1q3k h ARG 235 N 4.04 0.98 -0.90 4.02 2.43 -1.88 -0.75 114.38 122.32 1q3k h ARG 235 Ca -0.39 -0.06 0.01 0.00 -0.81 0.00 0.00 59.98 58.74 1q3k h ARG 235 Cb 1.19 -0.22 -0.05 0.00 -0.42 0.00 0.00 29.97 30.48 1q3k h ARG 235 CO 0.45 0.65 0.59 0.93 -1.51 0.00 0.00 179.97 181.08 1q3k h GLU 236 N 1.01 1.17 -0.37 0.20 3.07 -1.95 -0.34 114.58 117.37 1q3k h GLU 236 Ca 0.37 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 59.15 1q3k h GLU 236 Cb 0.15 -0.26 -0.02 0.00 -0.84 0.00 0.00 28.75 27.78 1q3k h GLU 236 CO -0.13 0.78 0.19 0.87 -1.40 0.00 0.00 179.01 179.32 1q3k h LYS 237 N 1.21 0.52 -0.43 2.33 1.57 -1.52 -2.23 116.57 118.01 1q3k h LYS 237 Ca 0.33 -0.07 0.08 0.00 -1.87 0.00 0.00 60.65 59.13 1q3k h LYS 237 Cb -0.13 -0.10 -0.08 0.00 0.08 0.00 0.00 32.23 32.01 1q3k h LYS 237 CO -0.08 0.44 -0.05 0.78 -0.57 0.00 0.00 179.45 179.98 1q3k h GLY 238 N 0.47 0.38 1.15 3.86 0.00 -0.23 0.07 103.07 108.77 1q3k h GLY 238 Ca 0.13 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.57 1q3k h GLY 238 CO -0.02 -0.14 0.54 0.83 0.00 0.00 0.00 176.54 177.75 1q3k h GLU 239 N 0.06 1.02 -0.34 4.80 4.39 -0.86 0.33 114.58 123.98 1q3k h GLU 239 Ca 0.21 -0.06 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1q3k h GLU 239 Cb 0.32 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 1q3k h GLU 239 CO -0.40 0.68 -0.16 1.25 -1.16 0.00 0.00 179.01 179.22 1q3k h LEU 240 N 1.05 0.73 0.06 1.33 5.85 -0.62 -2.38 115.31 121.33 1q3k h LEU 240 Ca 0.31 -0.41 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1q3k h LEU 240 Cb -0.05 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 40.78 1q3k h LEU 240 CO -0.08 0.98 -0.03 0.40 -0.34 0.00 0.00 178.44 179.37 1q3k h ILE 241 N 0.48 0.99 -0.57 4.05 2.04 -0.12 -1.38 117.51 123.00 1q3k h ILE 241 Ca 0.08 -0.15 0.11 0.00 1.00 0.00 0.00 64.86 65.90 1q3k h ILE 241 Cb 0.70 1.09 -0.09 0.00 -0.74 0.00 0.00 36.82 37.78 1q3k h ILE 241 CO 0.05 0.04 0.05 0.25 0.00 0.00 0.00 178.15 178.54 1q3k h LEU 242 N -0.14 -0.14 -0.12 1.44 5.85 -0.38 0.12 115.31 121.94 1q3k h LEU 242 Ca -0.01 0.13 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 1q3k h LEU 242 Cb 0.12 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.35 1q3k h LEU 242 CO 0.01 -0.05 -0.06 -0.33 -0.34 0.00 0.00 178.44 177.67 1q3k h GLU 243 N 0.17 0.24 -0.74 1.25 4.39 -1.31 -1.21 114.58 117.38 1q3k h GLU 243 Ca 0.30 -0.11 0.10 0.00 0.34 0.00 0.00 59.36 59.99 1q3k h GLU 243 Cb 0.46 -0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.03 1q3k h GLU 243 CO -0.44 0.59 0.38 0.28 -1.16 0.00 0.00 179.01 178.66 1q3k h VAL 244 N -0.11 0.85 0.24 3.13 2.07 -0.60 -0.26 116.25 121.57 1q3k h VAL 244 Ca 0.03 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 1q3k h VAL 244 Cb 0.52 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1q3k h VAL 244 CO 0.02 0.12 -0.12 0.00 0.02 0.00 0.00 177.57 177.61 1q3k h VAL 246 N -0.79 0.77 -0.21 0.00 2.07 -1.03 0.14 116.25 117.21 1q3k h VAL 246 Ca -0.03 -0.12 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1q3k h VAL 246 Cb 0.51 0.39 -0.01 0.00 -1.52 0.00 0.00 31.29 30.66 1q3k h VAL 246 CO 0.05 0.06 -0.06 -0.61 0.02 0.00 0.00 177.57 177.04 1q3k h GLN 247 N 0.35 0.40 -0.51 1.57 5.75 -1.11 -0.58 115.11 120.99 1q3k h GLN 247 Ca 0.28 -0.16 -0.07 0.00 -0.15 0.00 0.00 58.65 58.55 1q3k h GLN 247 Cb 0.34 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 1q3k h GLN 247 CO -0.30 0.66 0.04 0.78 -2.65 0.00 0.00 178.83 177.36 1q3k h GLY 248 N 0.12 0.94 0.87 2.39 0.00 -0.96 -1.69 103.07 104.73 1q3k h GLY 248 Ca 0.05 -0.66 -0.03 0.00 0.00 0.00 0.00 47.33 46.69 1q3k h GLY 248 CO 0.02 0.61 0.04 -2.22 0.00 0.00 0.00 176.54 174.99 1q3k h ILE 249 N 0.74 1.23 -0.67 2.60 2.04 -0.74 -1.24 117.51 121.46 1q3k h ILE 249 Ca 0.15 -0.76 0.08 0.00 1.00 0.00 0.00 64.86 65.32 1q3k h ILE 249 Cb 0.46 1.23 -0.06 0.00 -0.74 0.00 0.00 36.82 37.72 1q3k h ILE 249 CO 0.02 0.24 0.35 0.00 0.00 0.00 0.00 178.15 178.76 1q3k h ALA 250 N 0.86 0.91 -0.58 1.87 0.00 -1.00 0.28 119.26 121.60 1q3k h ALA 250 Ca 0.08 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 1q3k h ALA 250 Cb 0.32 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1q3k h ALA 250 CO 0.00 -0.02 -0.05 -0.44 0.00 0.00 0.00 179.25 178.74 1q3k h ASP 251 N 0.62 1.04 -0.26 0.00 3.32 -1.12 -1.65 116.42 118.37 1q3k h ASP 251 Ca 0.32 -0.33 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1q3k h ASP 251 Cb 0.28 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1q3k h ASP 251 CO -0.23 1.12 0.17 0.00 -1.72 0.00 0.00 179.24 178.59 1q3k h ALA 252 N 0.96 0.33 -0.96 3.45 0.00 -0.35 -1.07 119.26 121.62 1q3k h ALA 252 Ca 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1q3k h ALA 252 Cb 0.62 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1q3k h ALA 252 CO 0.04 -0.20 0.61 0.82 0.00 0.00 0.00 179.25 180.53 1q3k h ILE 253 N 0.35 1.25 0.00 0.00 2.04 -0.83 0.15 117.51 120.47 1q3k h ILE 253 Ca 0.10 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.41 1q3k h ILE 253 Cb -0.04 -0.14 -0.01 0.00 -0.74 0.00 0.00 36.82 35.90 1q3k h ILE 253 CO -0.02 0.25 -0.24 1.23 0.00 0.00 0.00 178.15 179.37 1q3k h GLY 254 N 1.31 0.00 0.34 5.37 0.00 -0.82 0.83 103.07 110.09 1q3k h GLY 254 Ca 0.35 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.68 1q3k h GLY 254 CO -0.07 0.00 -0.00 1.46 0.00 0.00 0.00 176.54 177.93 1q3k h GLN 255 N 0.00 -0.00 0.02 4.80 1.08 0.33 -3.17 115.11 118.17 1q3k h GLN 255 Ca -0.00 0.00 -0.21 0.00 -1.45 0.00 0.00 58.65 56.99 1q3k h GLN 255 Cb 0.47 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 1q3k h GLN 255 CO 0.03 0.66 -0.94 0.93 -0.95 0.00 0.00 178.83 178.56 1q3k h GLU 256 N -0.66 0.15 -2.27 1.46 4.39 -0.60 -3.36 114.58 113.68 1q3k h GLU 256 Ca -0.00 -0.19 -0.61 0.00 0.34 0.00 0.00 59.36 58.91 1q3k h GLU 256 Cb 0.66 0.06 -0.41 0.00 -0.10 0.00 0.00 28.75 28.96 1q3k h GLU 256 CO 0.00 0.98 -0.51 1.19 -1.16 0.00 0.00 179.01 179.51 1q3k n PHE 257 N -3.57 3.85 -1.78 4.33 0.99 0.29 -5.07 117.46 116.49 1q3k n PHE 257 Ca -0.03 -3.94 -0.42 0.00 -0.00 0.00 0.00 57.45 53.06 1q3k n PHE 257 Cb 0.86 -0.56 -0.03 0.00 -1.00 0.00 0.00 39.48 38.75 1q3k n PHE 257 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.76 174.62 1q3k s PRO 258 N -3.23 4.15 0.23 -1.08 0.02 -1.20 -4.67 135.00 129.21 1q3k s PRO 258 Ca 0.46 2.55 -0.31 0.00 0.02 0.00 0.00 61.00 63.71 1q3k s PRO 258 Cb 0.23 -3.11 -0.14 0.00 0.02 0.00 0.00 34.50 31.50 1q3k s PRO 258 CO -0.10 -0.72 1.35 -2.30 -0.33 0.00 0.00 177.00 174.90 1q3k n PRO 259 N 4.05 1.85 0.00 5.54 -0.02 -1.26 -5.06 135.00 140.09 1q3k n PRO 259 Ca 0.15 0.66 0.13 0.00 -2.02 0.00 0.00 63.50 62.42 1q3k n PRO 259 Cb 0.36 -2.28 0.22 0.00 -0.02 0.00 0.00 33.50 31.78 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89