#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 0.88 -2.96 -1.46 4.76 -1.26 -4.93 118.16 113.19 1q3k n LYS 3 Ca 0.00 -1.91 -0.36 0.00 -2.87 0.00 0.00 58.31 53.17 1q3k n LYS 3 Cb 0.00 -3.47 -0.06 0.00 -1.84 0.00 0.00 35.03 29.66 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 6.94 7.16 0.00 4.39 0.15 -1.26 -4.96 113.70 126.11 1q3k s SER 4 Ca 0.71 1.59 0.27 0.00 0.70 0.00 0.00 55.95 59.22 1q3k s SER 4 Cb 0.03 -2.49 0.94 0.00 -1.71 0.00 0.00 66.02 62.79 1q3k s SER 4 CO 0.18 -0.03 1.68 1.33 1.20 0.00 0.00 173.24 177.60 1q3k n VAL 5 N 0.57 0.00 -3.25 4.45 0.24 -1.26 -4.82 118.33 114.25 1q3k n VAL 5 Ca -0.00 -0.14 -0.40 0.00 -2.04 0.00 0.00 64.34 61.76 1q3k n VAL 5 Cb 0.51 0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 33.10 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 -2.38 3.23 0.35 6.34 0.40 -1.26 0.78 117.98 125.43 1q3k s PHE 6 Ca 0.29 0.45 0.11 0.00 -0.60 0.00 0.00 56.93 57.18 1q3k s PHE 6 Cb 0.20 -2.78 0.88 0.00 0.51 0.00 0.00 43.02 41.83 1q3k s PHE 6 CO 0.47 -0.37 1.80 0.28 0.70 0.00 0.00 175.22 178.10 1q3k h VAL 7 N 5.47 0.68 0.00 -0.44 2.07 -1.20 -0.48 116.25 122.36 1q3k h VAL 7 Ca -0.29 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 1q3k h VAL 7 Cb 1.14 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1q3k h VAL 7 CO 0.73 0.11 -0.05 1.23 0.02 0.00 0.00 177.57 179.61 1q3k h GLY 8 N 0.62 0.00 -1.51 2.17 0.00 -1.93 -1.57 103.07 100.86 1q3k h GLY 8 Ca 0.55 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.88 1q3k h GLY 8 CO -0.31 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.41 1q3k n GLU 9 N -3.68 2.12 -3.60 4.80 1.02 -0.19 -4.91 120.64 116.19 1q3k n GLU 9 Ca -0.02 -1.66 -0.20 0.00 -0.02 0.00 0.00 57.16 55.26 1q3k n GLU 9 Cb 0.15 -1.46 -0.02 0.00 -0.02 0.00 0.00 31.44 30.09 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 -1.74 3.86 0.52 -4.62 1.43 -0.59 -4.95 118.68 112.59 1q3k s LEU 10 Ca 0.34 -0.28 -0.03 0.00 -1.03 0.00 0.00 54.13 53.14 1q3k s LEU 10 Cb 0.20 -2.58 0.00 0.00 0.03 0.00 0.00 46.19 43.85 1q3k s LEU 10 CO 0.30 -0.39 0.78 0.42 0.23 0.00 0.00 176.35 177.70 1q3k s THR 11 N -2.21 3.77 0.39 5.49 -4.23 -1.26 -4.92 115.64 112.66 1q3k s THR 11 Ca 0.43 -0.27 0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1q3k s THR 11 Cb -0.08 -3.44 0.14 0.00 1.34 0.00 0.00 72.50 70.46 1q3k s THR 11 CO 0.29 -0.38 1.90 4.11 -0.54 0.00 0.00 174.62 180.01 1q3k h TRP 12 N 0.11 0.14 -0.45 3.99 5.08 -1.99 -1.78 115.95 121.04 1q3k h TRP 12 Ca -0.46 -0.02 -0.13 0.00 1.08 0.00 0.00 58.89 59.37 1q3k h TRP 12 Cb 1.26 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.37 1q3k h TRP 12 CO 0.46 0.34 -0.21 0.87 -1.28 0.00 0.00 178.44 178.62 1q3k h LYS 13 N 0.12 0.95 -0.30 0.12 1.79 -1.98 0.30 116.57 117.56 1q3k h LYS 13 Ca 0.02 -0.41 -0.03 0.00 -2.18 0.00 0.00 60.65 58.05 1q3k h LYS 13 Cb 0.45 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 31.06 1q3k h LYS 13 CO 0.03 1.07 0.07 0.93 -1.08 0.00 0.00 179.45 180.48 1q3k h GLU 14 N 0.79 0.48 0.03 3.15 5.08 -1.79 -1.85 114.58 120.48 1q3k h GLU 14 Ca 0.10 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 1q3k h GLU 14 Cb 0.79 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 1q3k h GLU 14 CO 0.07 0.56 -0.01 -0.92 -1.00 0.00 0.00 179.01 177.70 1q3k h TYR 15 N 0.33 -0.03 -0.76 4.33 3.20 -1.08 -0.54 116.97 122.41 1q3k h TYR 15 Ca 0.09 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.11 1q3k h TYR 15 Cb 0.29 0.01 -0.09 0.00 1.54 0.00 0.00 36.73 38.48 1q3k h TYR 15 CO 0.01 -0.00 0.32 1.49 -1.64 0.00 0.00 178.16 178.34 1q3k h GLU 16 N -0.05 0.45 0.24 1.82 4.81 -0.36 -0.99 114.58 120.50 1q3k h GLU 16 Ca -0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1q3k h GLU 16 Cb 0.04 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.32 1q3k h GLU 16 CO 0.01 0.30 -0.11 0.00 -0.73 0.00 0.00 179.01 178.47 1q3k h ALA 17 N 1.54 -0.32 -0.73 2.92 0.00 -0.73 0.90 119.26 122.84 1q3k h ALA 17 Ca 0.42 -0.10 0.17 0.00 0.00 0.00 0.00 54.91 55.39 1q3k h ALA 17 Cb 0.62 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 1q3k h ALA 17 CO -0.39 -0.64 0.50 0.00 0.00 0.00 0.00 179.25 178.72 1q3k h ARG 18 N -0.41 0.26 0.05 0.00 2.47 -0.20 0.26 114.38 116.81 1q3k h ARG 18 Ca -0.03 -0.02 -0.18 0.00 -1.26 0.00 0.00 59.98 58.49 1q3k h ARG 18 Cb 0.31 -0.06 0.02 0.00 -1.65 0.00 0.00 29.97 28.59 1q3k h ARG 18 CO 0.05 0.17 -0.75 0.28 0.56 0.00 0.00 179.97 180.29 1q3k h VAL 19 N 0.27 1.42 0.00 2.04 2.07 -0.66 -3.26 116.25 118.14 1q3k h VAL 19 Ca 0.36 -2.24 -0.01 0.00 0.82 0.00 0.00 66.70 65.63 1q3k h VAL 19 Cb 1.02 2.74 -0.00 0.00 -1.52 0.00 0.00 31.29 33.53 1q3k h VAL 19 CO -0.09 0.65 -0.06 0.00 0.02 0.00 0.00 177.57 178.09 1q3k h ALA 20 N 0.26 1.08 0.00 1.67 0.00 -0.25 -2.63 119.26 119.40 1q3k h ALA 20 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1q3k h ALA 20 Cb 1.48 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1q3k h ALA 20 CO 0.14 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.47 1q3k n ALA 21 N -2.16 1.50 0.00 0.00 0.00 0.03 -4.95 120.51 114.93 1q3k n ALA 21 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 1q3k n ALA 21 Cb 0.25 -1.16 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1q3k n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q3k n GLY 22 N -0.48 -0.57 4.35 0.00 0.00 -0.99 -4.92 105.19 102.58 1q3k n GLY 22 Ca 0.03 -1.50 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.85 -1.95 -4.69 1.61 5.68 -1.26 -4.92 116.55 110.17 1q3k n ASP 23 Ca 0.00 -1.08 -0.42 0.00 -0.50 0.00 0.00 54.79 52.78 1q3k n ASP 23 Cb 0.00 -1.69 -0.03 0.00 -1.14 0.00 0.00 41.12 38.26 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 2.14 5.23 0.02 0.00 1.01 -1.26 -4.24 120.40 123.30 1q3k s VAL 25 Ca 0.57 0.70 0.01 0.00 0.00 0.00 0.00 61.98 63.26 1q3k s VAL 25 Cb -0.26 -3.71 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1q3k s VAL 25 CO 0.23 0.31 0.06 -0.76 0.00 0.00 0.00 175.10 174.94 1q3k s LEU 26 N 0.93 3.79 -0.10 3.92 2.01 -0.56 -1.40 118.68 127.26 1q3k s LEU 26 Ca 0.19 0.07 0.01 0.00 0.01 0.00 0.00 54.13 54.41 1q3k s LEU 26 Cb -0.14 -2.27 0.02 0.00 0.01 0.00 0.00 46.19 43.80 1q3k s LEU 26 CO 0.07 0.25 -0.13 -0.04 1.01 0.00 0.00 176.35 177.51 1q3k s MET 27 N -1.88 1.95 -0.30 1.70 -1.94 0.88 0.13 119.30 119.84 1q3k s MET 27 Ca 0.24 -0.46 -0.06 0.00 -1.71 0.00 0.00 55.69 53.70 1q3k s MET 27 Cb -0.12 -1.73 0.02 0.00 2.01 0.00 0.00 34.83 35.01 1q3k s MET 27 CO 0.15 -0.10 0.07 -1.17 -0.01 0.00 0.00 175.02 173.96 1q3k s LEU 28 N 1.11 3.88 0.16 -0.03 2.96 0.34 -0.26 118.68 126.83 1q3k s LEU 28 Ca -0.05 -0.84 -0.30 0.00 -0.22 0.00 0.00 54.13 52.72 1q3k s LEU 28 Cb -0.14 -1.85 -0.07 0.00 0.50 0.00 0.00 46.19 44.63 1q3k s LEU 28 CO -0.03 -0.22 1.10 -2.84 -1.32 0.00 0.00 176.35 173.05 1q3k s PRO 29 N 1.45 4.58 -0.19 0.98 0.02 -1.26 0.07 135.00 140.65 1q3k s PRO 29 Ca 0.01 1.71 0.00 0.00 0.02 0.00 0.00 61.00 62.74 1q3k s PRO 29 Cb -0.18 -3.29 0.05 0.00 0.02 0.00 0.00 34.50 31.10 1q3k s PRO 29 CO 0.02 0.04 -0.06 0.08 -0.33 0.00 0.00 177.00 176.74 1q3k s VAL 30 N -0.04 1.32 0.00 3.83 1.01 0.47 -0.17 120.40 126.83 1q3k s VAL 30 Ca 0.50 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.61 1q3k s VAL 30 Cb -0.29 -1.51 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1q3k s VAL 30 CO 0.34 0.06 0.00 0.61 0.00 0.00 0.00 175.10 176.11 1q3k n GLY 31 N 4.78 4.32 3.64 4.51 0.00 0.15 -0.10 105.19 122.49 1q3k n GLY 31 Ca -0.12 -0.87 -0.03 0.00 0.00 0.00 0.00 46.02 45.00 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 -1.95 -0.37 4.61 0.00 -1.20 -3.07 121.76 117.79 1q3k s ALA 32 Ca 0.00 0.72 -0.00 0.00 0.00 0.00 0.00 51.96 52.68 1q3k s ALA 32 Cb 0.00 0.38 0.10 0.00 0.00 0.00 0.00 23.12 23.60 1q3k s ALA 32 CO 0.00 -0.91 0.12 -1.17 0.00 0.00 0.00 175.76 173.80 1q3k s LEU 33 N -2.75 4.88 -0.06 0.00 2.96 -0.98 -4.12 118.68 118.61 1q3k s LEU 33 Ca 0.11 -1.97 -0.06 0.00 -0.22 0.00 0.00 54.13 51.99 1q3k s LEU 33 Cb 0.01 -1.74 0.02 0.00 0.50 0.00 0.00 46.19 44.98 1q3k s LEU 33 CO -0.03 -0.45 0.17 -0.70 -1.32 0.00 0.00 176.35 174.02 1q3k s GLU 34 N 1.07 0.19 0.31 1.98 2.12 -0.72 -0.42 118.70 123.23 1q3k s GLU 34 Ca 0.07 0.25 -0.28 0.00 0.36 0.00 0.00 54.97 55.37 1q3k s GLU 34 Cb -0.21 0.07 -0.13 0.00 0.26 0.00 0.00 34.13 34.12 1q3k s GLU 34 CO -0.05 -0.04 1.16 0.00 -0.54 0.00 0.00 175.26 175.79 1q3k n GLN 35 N 3.10 1.76 -2.95 4.30 -0.00 -1.26 -4.36 117.38 117.97 1q3k n GLN 35 Ca -0.14 0.62 -0.18 0.00 -0.00 0.00 0.00 57.00 57.30 1q3k n GLN 35 Cb 0.58 -2.10 -0.01 0.00 -0.00 0.00 0.00 30.24 28.71 1q3k n GLN 35 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.06 177.78 1q3k n HIS 36 N 0.31 1.35 -4.53 2.61 8.25 -1.26 -4.96 115.22 116.99 1q3k n HIS 36 Ca 0.07 -3.51 0.00 0.00 -0.26 0.00 0.00 57.72 54.02 1q3k n HIS 36 Cb 0.34 -0.39 0.00 0.00 1.12 0.00 0.00 29.99 31.06 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 0.04 -1.33 0.08 -1.41 0.00 -1.22 -3.43 105.19 97.92 1q3k n GLY 37 Ca 0.23 -1.18 0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -0.93 0.72 0.81 1.61 8.25 -1.25 -4.23 115.22 120.20 1q3k n HIS 38 Ca 0.00 0.21 0.08 0.00 -0.26 0.00 0.00 57.72 57.75 1q3k n HIS 38 Cb 0.00 -0.79 -0.10 0.00 1.12 0.00 0.00 29.99 30.22 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 -2.15 0.00 -4.25 4.41 1.44 -1.26 -4.84 115.22 108.57 1q3k n HIS 39 Ca 0.05 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.62 1q3k n HIS 39 Cb 0.43 -0.01 -0.10 0.00 0.12 0.00 0.00 29.99 30.43 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 -2.68 1.06 1.05 -1.40 1.00 -1.22 -1.10 119.30 116.01 1q3k s MET 40 Ca 0.06 -1.46 -0.15 0.00 0.00 0.00 0.00 55.69 54.14 1q3k s MET 40 Cb 0.13 -0.59 0.22 0.00 0.00 0.00 0.00 34.83 34.59 1q3k s MET 40 CO 0.73 0.05 1.13 0.00 0.00 0.00 0.00 175.02 176.93 1q3k n MET 42 N -4.27 0.67 -0.71 0.00 0.00 -1.26 -4.23 117.12 107.32 1q3k n MET 42 Ca 0.09 -0.43 0.08 0.00 0.00 0.00 0.00 57.70 57.44 1q3k n MET 42 Cb 0.59 -1.49 0.37 0.00 0.00 0.00 0.00 33.22 32.68 1q3k n MET 42 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 1q3k n ASN 43 N -0.79 5.02 -0.15 7.83 0.23 -1.26 -1.76 115.26 124.38 1q3k n ASN 43 Ca 0.10 -2.63 -0.06 0.00 -0.53 0.00 0.00 54.58 51.46 1q3k n ASN 43 Cb 0.36 -0.62 -0.00 0.00 -2.08 0.00 0.00 39.78 37.44 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 3.91 0.23 0.00 3.53 2.07 -1.83 0.26 116.25 124.43 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 1.63 0.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1q3k h VAL 44 CO 0.33 0.00 0.05 0.44 0.02 0.00 0.00 177.57 178.41 1q3k h ASP 45 N -0.20 0.00 0.03 0.57 5.19 -1.81 0.46 116.42 120.66 1q3k h ASP 45 Ca 0.20 0.00 -0.39 0.00 -0.62 0.00 0.00 57.03 56.23 1q3k h ASP 45 Cb 0.53 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 39.99 1q3k h ASP 45 CO -0.59 0.00 -2.28 0.52 -3.12 0.00 0.00 179.24 173.77 1q3k n VAL 46 N -2.76 1.57 0.03 -1.35 0.31 -0.30 -4.08 118.33 111.75 1q3k n VAL 46 Ca -0.02 -0.52 -0.12 0.00 -0.01 0.00 0.00 64.34 63.67 1q3k n VAL 46 Cb 0.10 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.33 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 -0.24 -0.02 0.45 7.52 3.38 -0.13 -1.92 115.31 124.34 1q3k h LEU 47 Ca -0.55 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1q3k h LEU 47 Cb 1.84 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.57 1q3k h LEU 47 CO -0.12 0.11 -0.41 -0.07 0.09 0.00 0.00 178.44 178.04 1q3k h LEU 48 N -0.15 -1.12 -1.99 1.67 3.38 -1.17 0.11 115.31 116.03 1q3k h LEU 48 Ca -0.00 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 1q3k h LEU 48 Cb 0.14 0.37 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 1q3k h LEU 48 CO 0.00 -0.58 -0.08 1.55 0.09 0.00 0.00 178.44 179.43 1q3k h PRO 49 N -0.87 0.00 -0.13 1.13 0.13 -1.73 -0.43 132.00 130.10 1q3k h PRO 49 Ca -0.04 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.86 1q3k h PRO 49 Cb 0.76 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.90 1q3k h PRO 49 CO -0.05 0.08 -0.82 1.15 -0.23 0.00 0.00 178.00 178.14 1q3k h THR 50 N 0.00 1.27 -0.13 1.56 2.02 -0.81 -1.45 112.91 115.38 1q3k h THR 50 Ca -0.00 -2.01 -0.02 0.00 0.77 0.00 0.00 66.41 65.15 1q3k h THR 50 Cb 0.32 2.03 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1q3k h THR 50 CO 0.01 0.64 0.01 0.00 0.37 0.00 0.00 175.52 176.55 1q3k h ALA 51 N 0.53 0.17 -0.95 6.16 0.00 -0.13 -1.46 119.26 123.58 1q3k h ALA 51 Ca -0.06 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.69 1q3k h ALA 51 Cb 1.45 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1q3k h ALA 51 CO 0.17 -0.15 0.63 0.28 0.00 0.00 0.00 179.25 180.17 1q3k h VAL 52 N -0.03 1.22 -0.26 0.00 2.07 -1.10 -2.59 116.25 115.56 1q3k h VAL 52 Ca 0.04 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.11 1q3k h VAL 52 Cb 0.33 -0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1q3k h VAL 52 CO 0.00 0.23 0.09 0.00 0.02 0.00 0.00 177.57 177.92 1q3k h GLN 54 N 0.26 0.09 -0.43 0.00 4.15 -1.04 0.13 115.11 118.26 1q3k h GLN 54 Ca 0.08 -0.01 -0.10 0.00 0.77 0.00 0.00 58.65 59.40 1q3k h GLN 54 Cb 0.20 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 1q3k h GLN 54 CO -0.01 0.06 -0.12 0.00 -1.93 0.00 0.00 178.83 176.83 1q3k h ARG 55 N 0.09 0.85 -0.39 1.69 3.08 -1.38 -1.42 114.38 116.90 1q3k h ARG 55 Ca 0.15 -0.33 -0.01 0.00 0.07 0.00 0.00 59.98 59.85 1q3k h ARG 55 Cb 0.20 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1q3k h ARG 55 CO -0.25 0.97 0.21 0.28 -1.07 0.00 0.00 179.97 180.10 1q3k h VAL 56 N 0.67 1.16 -0.89 2.04 2.07 -0.82 -2.43 116.25 118.04 1q3k h VAL 56 Ca 0.11 -0.42 0.01 0.00 0.82 0.00 0.00 66.70 67.22 1q3k h VAL 56 Cb 0.67 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 1q3k h VAL 56 CO 0.05 0.16 0.58 0.00 0.02 0.00 0.00 177.57 178.38 1q3k h ALA 57 N 1.06 1.35 -0.30 1.67 0.00 -0.63 -0.80 119.26 121.60 1q3k h ALA 57 Ca 0.14 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 1q3k h ALA 57 Cb 0.08 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1q3k h ALA 57 CO -0.02 0.60 -0.11 0.93 0.00 0.00 0.00 179.25 180.65 1q3k h GLU 58 N 1.21 0.50 0.11 0.00 5.08 -1.05 0.56 114.58 120.98 1q3k h GLU 58 Ca 0.32 -0.14 -0.27 0.00 -1.00 0.00 0.00 59.36 58.27 1q3k h GLU 58 Cb -0.12 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.08 1q3k h GLU 58 CO -0.07 0.61 -1.19 0.00 -1.00 0.00 0.00 179.01 177.36 1q3k h ARG 59 N 0.47 0.38 -0.05 2.33 2.47 -0.79 -3.36 114.38 115.82 1q3k h ARG 59 Ca 0.09 -0.55 0.00 0.00 -1.26 0.00 0.00 59.98 58.26 1q3k h ARG 59 Cb 0.47 0.19 0.00 0.00 -1.65 0.00 0.00 29.97 28.98 1q3k h ARG 59 CO 0.03 1.23 0.00 0.44 0.56 0.00 0.00 179.97 182.23 1q3k n ILE 60 N -3.64 0.08 -2.87 2.04 -5.35 -0.41 -5.00 119.36 104.22 1q3k n ILE 60 Ca -0.09 -0.54 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 1q3k n ILE 60 Cb 0.98 1.23 0.03 0.00 -1.74 0.00 0.00 39.64 40.14 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 0.80 0.42 3.90 3.28 0.00 0.17 -5.04 105.19 108.73 1q3k n GLY 61 Ca 0.09 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.55 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 4.09 -0.01 4.61 0.00 0.16 -4.79 121.76 122.73 1q3k s ALA 62 Ca 0.20 -1.78 0.02 0.00 0.00 0.00 0.00 51.96 50.40 1q3k s ALA 62 Cb -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 23.12 21.82 1q3k s ALA 62 CO 0.25 -0.17 -0.02 -0.51 0.00 0.00 0.00 175.76 175.31 1q3k s LEU 63 N -4.13 3.40 -0.14 0.00 1.43 -0.49 -4.61 118.68 114.14 1q3k s LEU 63 Ca 0.47 -0.04 -0.01 0.00 -1.03 0.00 0.00 54.13 53.52 1q3k s LEU 63 Cb -0.05 -1.94 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1q3k s LEU 63 CO 0.28 0.29 -0.11 -0.69 0.23 0.00 0.00 176.35 176.35 1q3k s VAL 64 N -1.04 3.17 0.70 -1.59 1.01 0.23 -0.09 120.40 122.80 1q3k s VAL 64 Ca 0.18 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.44 1q3k s VAL 64 Cb -0.11 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.93 1q3k s VAL 64 CO 0.09 0.52 1.07 -0.76 0.00 0.00 0.00 175.10 176.02 1q3k s LEU 65 N 0.41 2.97 0.15 3.92 1.43 0.64 -0.64 118.68 127.56 1q3k s LEU 65 Ca -0.09 1.32 -0.31 0.00 -1.03 0.00 0.00 54.13 54.01 1q3k s LEU 65 Cb -0.16 -4.16 -0.11 0.00 0.03 0.00 0.00 46.19 41.80 1q3k s LEU 65 CO 0.05 -1.35 1.72 -2.84 0.23 0.00 0.00 176.35 174.15 1q3k s PRO 66 N -5.22 4.16 0.57 1.29 0.02 -1.26 -4.57 135.00 129.99 1q3k s PRO 66 Ca 0.58 2.52 -0.18 0.00 0.02 0.00 0.00 61.00 63.93 1q3k s PRO 66 Cb -0.12 -3.34 -0.04 0.00 0.02 0.00 0.00 34.50 31.02 1q3k s PRO 66 CO 0.53 -0.75 1.14 0.20 -0.33 0.00 0.00 177.00 177.79 1q3k s GLY 67 N 1.85 2.55 -0.37 0.52 0.00 -1.26 -4.74 107.32 105.87 1q3k s GLY 67 Ca 0.76 0.80 -0.29 0.00 0.00 0.00 0.00 44.72 45.99 1q3k s GLY 67 CO 0.33 1.16 1.23 1.08 0.00 0.00 0.00 173.10 176.90 1q3k s LEU 68 N -4.05 3.77 0.19 0.66 1.43 0.77 -4.90 118.68 116.54 1q3k s LEU 68 Ca 0.72 0.90 0.02 0.00 -1.03 0.00 0.00 54.13 54.75 1q3k s LEU 68 Cb -0.24 -3.54 0.08 0.00 0.03 0.00 0.00 46.19 42.51 1q3k s LEU 68 CO 0.31 -1.16 1.44 1.56 0.23 0.00 0.00 176.35 178.73 1q3k h GLN 69 N 9.31 0.24 -5.63 1.70 1.08 -1.88 0.45 115.11 120.38 1q3k h GLN 69 Ca -0.24 -0.22 -0.66 0.00 -1.45 0.00 0.00 58.65 56.08 1q3k h GLN 69 Cb 1.08 0.05 -0.24 0.00 -0.05 0.00 0.00 27.48 28.33 1q3k h GLN 69 CO 1.07 0.90 -0.73 0.71 -0.95 0.00 0.00 178.83 179.83 1q3k s TYR 70 N -3.42 2.85 0.02 2.96 1.51 -1.26 -2.33 117.35 117.68 1q3k s TYR 70 Ca -0.04 -0.38 0.00 0.00 -1.01 0.00 0.00 57.07 55.64 1q3k s TYR 70 Cb 0.11 -1.81 -0.00 0.00 -0.11 0.00 0.00 41.96 40.15 1q3k s TYR 70 CO 0.82 -0.02 0.00 0.41 -1.11 0.00 0.00 175.55 175.65 1q3k n GLY 71 N 3.10 4.18 3.76 0.71 0.00 -1.17 -4.76 105.19 111.00 1q3k n GLY 71 Ca -0.18 -2.21 -0.32 0.00 0.00 0.00 0.00 46.02 43.31 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 -1.06 2.46 0.16 1.61 5.04 -1.26 -0.92 117.35 123.38 1q3k s TYR 72 Ca 0.00 1.58 -0.33 0.00 -2.44 0.00 0.00 57.07 55.88 1q3k s TYR 72 Cb 0.00 -3.16 -0.16 0.00 0.35 0.00 0.00 41.96 39.00 1q3k s TYR 72 CO 0.00 -1.93 1.20 1.63 -1.34 0.00 0.00 175.55 175.11 1q3k n LYS 73 N -3.13 1.19 -2.16 4.97 5.02 -1.25 -4.74 118.16 118.07 1q3k n LYS 73 Ca 0.10 0.42 -0.41 0.00 -2.02 0.00 0.00 58.31 56.40 1q3k n LYS 73 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 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 0.08 6.83 -0.06 4.39 0.15 -1.26 -4.89 113.70 118.94 1q3k s SER 74 Ca 0.75 2.50 -0.03 0.00 0.70 0.00 0.00 55.95 59.87 1q3k s SER 74 Cb -0.86 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 60.79 1q3k s SER 74 CO 0.51 -0.56 0.07 -1.10 1.20 0.00 0.00 173.24 173.37 1q3k s GLN 75 N -0.44 3.14 0.18 5.44 -1.52 -1.26 -2.21 119.66 122.99 1q3k s GLN 75 Ca 0.56 -0.37 -0.19 0.00 -1.95 0.00 0.00 55.36 53.41 1q3k s GLN 75 Cb -0.38 -2.92 0.12 0.00 -0.22 0.00 0.00 33.01 29.61 1q3k s GLN 75 CO 0.41 0.70 1.62 0.37 -0.25 0.00 0.00 175.29 178.14 1q3k h GLN 76 N 4.64 -0.13 0.00 2.91 4.15 -1.91 0.42 115.11 125.19 1q3k h GLN 76 Ca -0.51 0.01 0.00 0.00 0.77 0.00 0.00 58.65 58.92 1q3k h GLN 76 Cb 1.20 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.92 1q3k h GLN 76 CO 0.59 -0.09 0.00 1.63 -1.93 0.00 0.00 178.83 179.03 1q3k n LYS 77 N -5.40 0.77 0.00 1.69 5.02 -1.26 -2.10 118.16 116.88 1q3k n LYS 77 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 1q3k n LYS 77 Cb 0.31 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.95 0.23 0.00 4.39 3.41 -0.67 -4.51 113.62 115.52 1q3k n SER 78 Ca 0.17 -0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.77 1q3k n SER 78 Cb 0.08 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.08 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 0.13 -0.77 0.00 5.00 0.00 0.14 -4.55 105.19 105.13 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 3.11 0.00 -0.02 0.00 -0.74 -4.82 105.19 102.72 1q3k n GLY 80 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.18 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 3.89 0.49 -0.02 0.00 -1.21 -4.28 105.19 104.06 1q3k n GLY 81 Ca 0.00 -1.60 0.04 0.00 0.00 0.00 0.00 46.02 44.47 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 1.42 0.04 1.61 2.85 -0.94 -3.41 115.26 116.83 1q3k n ASN 82 Ca 0.00 -2.01 0.12 0.00 -0.11 0.00 0.00 54.58 52.59 1q3k n ASN 82 Cb 0.00 -0.18 0.25 0.00 1.24 0.00 0.00 39.78 41.09 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 0.27 0.34 -2.27 1.20 1.44 -1.26 -4.88 115.22 110.06 1q3k n HIS 83 Ca 0.09 0.10 -0.38 0.00 -2.01 0.00 0.00 57.72 55.51 1q3k n HIS 83 Cb 0.23 -0.52 -0.02 0.00 0.12 0.00 0.00 29.99 29.80 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 -3.09 3.04 0.64 -1.40 0.40 -1.22 -5.01 117.98 111.34 1q3k s PHE 84 Ca 0.09 1.54 -0.15 0.00 -0.60 0.00 0.00 56.93 57.80 1q3k s PHE 84 Cb 0.15 -3.43 -0.01 0.00 0.51 0.00 0.00 43.02 40.25 1q3k s PHE 84 CO 0.69 -1.41 1.10 -2.14 0.70 0.00 0.00 175.22 174.16 1q3k s PRO 85 N -2.28 2.91 0.00 0.24 0.02 -1.26 -3.83 135.00 130.81 1q3k s PRO 85 Ca 0.57 1.35 0.00 0.00 0.02 0.00 0.00 61.00 62.94 1q3k s PRO 85 Cb -0.32 -1.97 0.00 0.00 0.02 0.00 0.00 34.50 32.24 1q3k s PRO 85 CO 0.40 -1.16 0.00 0.41 -0.33 0.00 0.00 177.00 176.32 1q3k n GLY 86 N -0.62 2.23 3.70 0.52 0.00 -1.26 -4.64 105.19 105.11 1q3k n GLY 86 Ca 0.10 -0.40 -0.42 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.02 2.85 -0.26 2.61 -1.32 -1.25 -4.64 115.64 113.62 1q3k s THR 87 Ca 0.00 0.40 0.01 0.00 -1.21 0.00 0.00 61.69 60.89 1q3k s THR 87 Cb 0.00 -3.25 0.07 0.00 -1.51 0.00 0.00 72.50 67.81 1q3k s THR 87 CO 0.00 0.01 -0.02 -0.89 -2.21 0.00 0.00 174.62 171.50 1q3k s THR 88 N 2.33 1.58 0.16 5.08 2.01 0.44 -4.95 115.64 122.29 1q3k s THR 88 Ca 0.74 -1.41 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1q3k s THR 88 Cb -0.42 -1.92 -0.04 0.00 0.01 0.00 0.00 72.50 70.13 1q3k s THR 88 CO 0.33 -0.23 -0.03 -0.44 -0.69 0.00 0.00 174.62 173.55 1q3k s SER 89 N 1.34 4.64 0.18 3.53 0.01 -1.26 -4.28 113.70 117.86 1q3k s SER 89 Ca -0.02 -0.42 0.03 0.00 1.31 0.00 0.00 55.95 56.85 1q3k s SER 89 Cb -0.19 -0.95 -0.03 0.00 0.21 0.00 0.00 66.02 65.06 1q3k s SER 89 CO -0.08 0.11 0.32 -0.76 0.41 0.00 0.00 173.24 173.23 1q3k s LEU 90 N -2.79 4.32 0.65 2.44 1.43 -0.10 -4.90 118.68 119.74 1q3k s LEU 90 Ca 0.26 0.16 -0.13 0.00 -1.03 0.00 0.00 54.13 53.39 1q3k s LEU 90 Cb -0.10 -2.92 -0.01 0.00 0.03 0.00 0.00 46.19 43.20 1q3k s LEU 90 CO 0.17 0.00 1.06 -1.81 0.23 0.00 0.00 176.35 176.00 1q3k s ASP 91 N -3.48 5.58 0.30 2.29 1.01 -1.26 -3.74 116.67 117.36 1q3k s ASP 91 Ca 0.35 1.69 0.01 0.00 0.71 0.00 0.00 52.55 55.31 1q3k s ASP 91 Cb -0.10 -2.51 0.54 0.00 1.01 0.00 0.00 42.92 41.86 1q3k s ASP 91 CO 0.29 -1.31 1.90 1.23 0.21 0.00 0.00 175.17 177.49 1q3k h GLY 92 N -0.23 1.34 1.77 0.21 0.00 -1.99 -2.46 103.07 101.72 1q3k h GLY 92 Ca -0.45 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.37 1q3k h GLY 92 CO 0.57 0.28 -0.35 0.00 0.00 0.00 0.00 176.54 177.04 1q3k h ALA 93 N 1.51 1.17 -0.10 3.60 0.00 -1.99 -1.34 119.26 122.11 1q3k h ALA 93 Ca 0.40 -0.37 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 1q3k h ALA 93 Cb 0.25 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1q3k h ALA 93 CO -0.16 0.55 -0.17 1.15 0.00 0.00 0.00 179.25 180.62 1q3k h THR 94 N 0.23 1.38 -0.37 0.00 2.02 -1.82 -0.04 112.91 114.32 1q3k h THR 94 Ca 0.03 -1.42 -0.01 0.00 0.77 0.00 0.00 66.41 65.77 1q3k h THR 94 Cb 0.73 2.07 -0.02 0.00 -1.74 0.00 0.00 68.15 69.19 1q3k h THR 94 CO 0.06 0.41 0.18 0.25 0.37 0.00 0.00 175.52 176.78 1q3k h LEU 95 N -0.14 0.48 -0.59 2.58 5.85 -1.36 -1.98 115.31 120.15 1q3k h LEU 95 Ca 0.01 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.63 1q3k h LEU 95 Cb 0.74 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.61 1q3k h LEU 95 CO 0.04 0.46 0.37 0.74 -0.34 0.00 0.00 178.44 179.71 1q3k h THR 96 N 0.46 1.08 -0.83 1.05 2.02 -1.26 -2.60 112.91 112.83 1q3k h THR 96 Ca 0.13 -0.25 0.03 0.00 0.77 0.00 0.00 66.41 67.09 1q3k h THR 96 Cb 0.11 0.29 -0.05 0.00 -1.74 0.00 0.00 68.15 66.76 1q3k h THR 96 CO -0.02 0.13 0.54 1.23 0.37 0.00 0.00 175.52 177.77 1q3k h GLY 97 N 0.72 1.20 0.96 2.16 0.00 -0.75 -1.26 103.07 106.11 1q3k h GLY 97 Ca 0.23 -0.41 -0.00 0.00 0.00 0.00 0.00 47.33 47.15 1q3k h GLY 97 CO -0.09 0.36 0.03 -0.84 0.00 0.00 0.00 176.54 175.99 1q3k h THR 98 N 1.05 1.04 -0.35 4.70 2.02 -1.23 0.26 112.91 120.40 1q3k h THR 98 Ca 0.33 -0.12 -0.03 0.00 0.77 0.00 0.00 66.41 67.36 1q3k h THR 98 Cb -0.01 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.42 1q3k h THR 98 CO -0.11 0.04 0.12 0.58 0.37 0.00 0.00 175.52 176.51 1q3k h VAL 99 N 0.03 1.21 -0.58 3.16 2.07 -1.30 -0.89 116.25 119.94 1q3k h VAL 99 Ca 0.02 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.88 1q3k h VAL 99 Cb 0.03 0.98 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1q3k h VAL 99 CO -0.00 0.23 0.38 -0.61 0.02 0.00 0.00 177.57 177.59 1q3k h GLN 100 N 0.42 0.76 -0.68 1.57 4.15 -1.13 -0.84 115.11 119.37 1q3k h GLN 100 Ca 0.11 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.43 1q3k h GLN 100 Cb 0.24 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.73 1q3k h GLN 100 CO -0.00 0.51 0.21 -0.44 -1.93 0.00 0.00 178.83 177.17 1q3k h ASP 101 N 0.79 0.99 -0.05 -0.69 3.32 -0.65 -2.08 116.42 118.04 1q3k h ASP 101 Ca 0.21 -0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q3k h ASP 101 Cb -0.09 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.20 1q3k h ASP 101 CO -0.05 0.93 0.01 0.40 -1.72 0.00 0.00 179.24 178.82 1q3k h ILE 102 N 0.99 1.17 -0.62 0.35 2.04 -0.86 -2.45 117.51 118.14 1q3k h ILE 102 Ca 0.22 -0.52 0.04 0.00 1.00 0.00 0.00 64.86 65.60 1q3k h ILE 102 Cb 0.30 1.43 -0.04 0.00 -0.74 0.00 0.00 36.82 37.77 1q3k h ILE 102 CO -0.01 0.14 0.36 0.40 0.00 0.00 0.00 178.15 179.05 1q3k h ILE 103 N -0.12 1.03 -0.95 -0.67 2.04 -1.09 0.22 117.51 117.96 1q3k h ILE 103 Ca 0.02 -0.24 0.02 0.00 1.00 0.00 0.00 64.86 65.65 1q3k h ILE 103 Cb 0.22 0.27 -0.05 0.00 -0.74 0.00 0.00 36.82 36.51 1q3k h ILE 103 CO -0.00 0.13 0.63 -0.09 0.00 0.00 0.00 178.15 178.81 1q3k h ARG 104 N 0.70 1.23 -0.23 2.37 2.43 -1.36 -1.22 114.38 118.30 1q3k h ARG 104 Ca 0.26 -0.07 -0.19 0.00 -0.81 0.00 0.00 59.98 59.17 1q3k h ARG 104 Cb 0.09 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.36 1q3k h ARG 104 CO -0.13 0.81 -0.60 0.93 -1.51 0.00 0.00 179.97 179.47 1q3k h GLU 105 N 1.27 0.76 -0.84 0.20 4.39 -0.77 -2.24 114.58 117.35 1q3k h GLU 105 Ca 0.36 -0.51 -0.01 0.00 0.34 0.00 0.00 59.36 59.53 1q3k h GLU 105 Cb -0.11 0.07 -0.04 0.00 -0.10 0.00 0.00 28.75 28.57 1q3k h GLU 105 CO -0.09 1.13 0.47 -0.07 -1.16 0.00 0.00 179.01 179.30 1q3k h LEU 106 N 0.57 1.03 -0.87 1.33 3.38 -0.68 -0.80 115.31 119.28 1q3k h LEU 106 Ca -0.00 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.88 1q3k h LEU 106 Cb 1.19 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.64 1q3k h LEU 106 CO 0.12 0.82 0.55 0.00 0.09 0.00 0.00 178.44 180.03 1q3k h ALA 107 N 1.25 1.10 -0.56 1.53 0.00 -1.18 -0.63 119.26 120.78 1q3k h ALA 107 Ca 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 1q3k h ALA 107 Cb 0.01 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.42 1q3k h ALA 107 CO -0.05 0.53 0.25 -0.09 0.00 0.00 0.00 179.25 179.89 1q3k h ARG 108 N 1.18 0.79 0.00 0.00 2.43 -0.57 -1.92 114.38 116.30 1q3k h ARG 108 Ca 0.31 -0.11 -0.04 0.00 -0.81 0.00 0.00 59.98 59.34 1q3k h ARG 108 Cb -0.10 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.30 1q3k h ARG 108 CO -0.06 0.63 -0.17 0.45 -1.51 0.00 0.00 179.97 179.30 1q3k h HIS 109 N 0.79 0.00 0.00 2.20 3.86 -0.32 -3.46 115.15 118.22 1q3k h HIS 109 Ca 0.19 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1q3k h HIS 109 Cb 0.11 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.58 1q3k h HIS 109 CO 0.01 0.17 0.00 0.41 0.86 0.00 0.00 177.93 179.38 1q3k n GLY 110 N -0.77 0.81 3.77 2.45 0.00 -0.72 -4.95 105.19 105.78 1q3k n GLY 110 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 3.29 0.00 1.61 1.01 -0.33 -4.91 120.40 119.07 1q3k s VAL 111 Ca 0.00 0.96 0.00 0.00 0.00 0.00 0.00 61.98 62.94 1q3k s VAL 111 Cb 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 36.38 32.90 1q3k s VAL 111 CO 0.00 -0.02 0.16 0.54 0.00 0.00 0.00 175.10 175.78 1q3k n ARG 112 N -0.42 0.01 -3.83 2.72 5.12 -1.26 -4.07 116.66 114.92 1q3k n ARG 112 Ca 0.07 -0.17 -0.26 0.00 -1.93 0.00 0.00 57.85 55.56 1q3k n ARG 112 Cb 0.49 -0.52 -0.17 0.00 -1.16 0.00 0.00 32.46 31.10 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 -0.01 1.06 -0.02 5.56 0.52 -1.26 -0.17 118.95 124.63 1q3k s ARG 113 Ca 0.00 -0.24 0.01 0.00 -0.52 0.00 0.00 55.73 54.98 1q3k s ARG 113 Cb 0.00 -1.60 0.01 0.00 0.52 0.00 0.00 34.95 33.89 1q3k s ARG 113 CO 0.00 -0.39 -0.04 -1.17 0.02 0.00 0.00 175.30 173.73 1q3k s LEU 114 N 1.80 1.59 -0.18 2.53 2.96 -0.78 -1.49 118.68 125.11 1q3k s LEU 114 Ca 0.03 -0.08 -0.01 0.00 -0.22 0.00 0.00 54.13 53.84 1q3k s LEU 114 Cb -0.14 -0.30 -0.01 0.00 0.50 0.00 0.00 46.19 46.24 1q3k s LEU 114 CO -0.07 -0.01 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.15 1q3k s VAL 115 N 0.48 3.00 -0.22 1.68 1.01 0.12 -0.54 120.40 125.93 1q3k s VAL 115 Ca -0.05 -0.64 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 1q3k s VAL 115 Cb -0.09 -2.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.95 1q3k s VAL 115 CO -0.00 0.48 0.06 -0.76 0.00 0.00 0.00 175.10 174.88 1q3k s LEU 116 N 1.00 3.59 -0.36 3.92 1.43 0.27 -0.51 118.68 128.01 1q3k s LEU 116 Ca -0.01 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1q3k s LEU 116 Cb -0.15 -1.94 0.07 0.00 0.03 0.00 0.00 46.19 44.20 1q3k s LEU 116 CO -0.01 0.06 0.13 -0.32 0.23 0.00 0.00 176.35 176.44 1q3k s MET 117 N 1.08 2.43 0.11 1.70 1.75 0.11 -2.14 119.30 124.34 1q3k s MET 117 Ca 0.04 -1.40 -0.28 0.00 -1.25 0.00 0.00 55.69 52.80 1q3k s MET 117 Cb -0.14 -3.49 -0.06 0.00 2.84 0.00 0.00 34.83 33.98 1q3k s MET 117 CO 0.03 -0.81 0.87 1.21 -0.65 0.00 0.00 175.02 175.67 1q3k s ASN 118 N 1.61 7.40 0.00 1.11 3.04 -0.24 -0.39 114.94 127.47 1q3k s ASN 118 Ca 0.01 1.67 0.07 0.00 0.04 0.00 0.00 52.86 54.65 1q3k s ASN 118 Cb -0.21 -2.54 -0.04 0.00 -1.54 0.00 0.00 41.25 36.92 1q3k s ASN 118 CO 0.00 0.02 0.38 0.61 -3.04 0.00 0.00 177.10 175.08 1q3k n GLY 119 N 2.13 0.12 3.04 1.21 0.00 0.86 -3.45 105.19 109.10 1q3k n GLY 119 Ca -0.01 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -1.36 3.15 0.28 1.61 5.65 -1.24 -4.69 115.29 118.69 1q3k s HIS 120 Ca 0.04 -2.28 -0.05 0.00 0.25 0.00 0.00 55.06 53.02 1q3k s HIS 120 Cb 0.05 -1.95 0.53 0.00 -1.18 0.00 0.00 32.58 30.03 1q3k s HIS 120 CO 0.22 -0.87 1.50 0.98 -0.65 0.00 0.00 174.74 175.92 1q3k n TYR 121 N 4.46 0.43 0.31 3.88 9.36 -1.26 -0.93 117.16 133.41 1q3k n TYR 121 Ca -0.12 1.17 0.11 0.00 3.32 0.00 0.00 57.90 62.37 1q3k n TYR 121 Cb 0.42 -1.11 0.48 0.00 -0.63 0.00 0.00 39.34 38.51 1q3k n TYR 121 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 1q3k n GLU 122 N -5.53 0.15 0.15 2.98 4.71 -1.26 -3.29 120.64 118.56 1q3k n GLU 122 Ca 0.18 0.48 0.01 0.00 -0.01 0.00 0.00 57.16 57.81 1q3k n GLU 122 Cb 0.56 -1.85 0.19 0.00 -1.01 0.00 0.00 31.44 29.33 1q3k n GLU 122 CO 0.00 0.00 0.00 -0.91 0.09 0.00 0.00 177.13 176.31 1q3k h ASN 123 N 0.00 0.00 -0.65 1.62 2.35 -1.37 -3.41 115.58 114.12 1q3k h ASN 123 Ca 0.00 0.00 0.06 0.00 -0.55 0.00 0.00 56.30 55.81 1q3k h ASN 123 Cb 0.23 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 38.52 1q3k h ASN 123 CO 0.00 0.56 -0.39 -1.20 -1.65 0.00 0.00 177.43 174.75 1q3k n SER 124 N -3.61 -0.69 0.06 5.81 7.64 -1.21 -1.76 113.62 119.86 1q3k n SER 124 Ca -0.00 1.32 -0.02 0.00 1.01 0.00 0.00 58.87 61.18 1q3k n SER 124 Cb 0.62 -0.23 0.25 0.00 -1.01 0.00 0.00 64.21 63.84 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 0.34 0.00 1.43 2.86 -1.88 -0.78 114.93 116.90 1q3k h MET 125 Ca 0.10 -0.13 -0.11 0.00 -2.06 0.00 0.00 59.70 57.51 1q3k h MET 125 Cb 0.27 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 1q3k h MET 125 CO -0.61 0.60 -0.51 0.74 1.06 0.00 0.00 176.91 178.18 1q3k h PHE 126 N 0.30 0.00 -0.16 -0.22 -1.00 -1.63 -0.62 116.94 113.61 1q3k h PHE 126 Ca 0.04 0.00 -0.08 0.00 2.81 0.00 0.00 57.97 60.74 1q3k h PHE 126 Cb 0.65 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 1q3k h PHE 126 CO 0.02 0.51 -0.23 0.82 -1.61 0.00 0.00 178.31 177.82 1q3k h ILE 127 N 0.00 1.35 -0.42 -0.55 2.04 -0.66 -1.09 117.51 118.18 1q3k h ILE 127 Ca -0.01 -1.44 0.02 0.00 1.00 0.00 0.00 64.86 64.44 1q3k h ILE 127 Cb 1.01 1.90 -0.03 0.00 -0.74 0.00 0.00 36.82 38.96 1q3k h ILE 127 CO 0.07 0.43 0.23 0.58 0.00 0.00 0.00 178.15 179.46 1q3k h VAL 128 N 0.08 1.02 -0.61 1.67 2.07 -0.99 0.12 116.25 119.60 1q3k h VAL 128 Ca 0.02 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.36 1q3k h VAL 128 Cb 0.79 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 1q3k h VAL 128 CO 0.05 0.09 0.30 -0.08 0.02 0.00 0.00 177.57 177.95 1q3k h GLU 129 N 0.47 0.87 -0.83 1.57 4.57 -1.06 -0.36 114.58 119.81 1q3k h GLU 129 Ca 0.17 -0.12 0.07 0.00 -1.18 0.00 0.00 59.36 58.30 1q3k h GLU 129 Cb 0.03 -0.16 -0.06 0.00 -0.16 0.00 0.00 28.75 28.40 1q3k h GLU 129 CO -0.09 0.70 0.50 0.78 -1.18 0.00 0.00 179.01 179.71 1q3k h GLY 130 N 0.83 1.26 0.84 1.92 0.00 -0.30 -0.40 103.07 107.23 1q3k h GLY 130 Ca 0.21 -0.35 -0.02 0.00 0.00 0.00 0.00 47.33 47.16 1q3k h GLY 130 CO -0.03 0.21 0.04 -2.22 0.00 0.00 0.00 176.54 174.54 1q3k h ILE 131 N 0.89 1.22 -0.56 2.60 2.04 -0.36 -2.03 117.51 121.31 1q3k h ILE 131 Ca 0.37 -0.71 -0.04 0.00 1.00 0.00 0.00 64.86 65.49 1q3k h ILE 131 Cb 0.23 1.31 -0.02 0.00 -0.74 0.00 0.00 36.82 37.59 1q3k h ILE 131 CO -0.20 0.22 0.22 -0.78 0.00 0.00 0.00 178.15 177.61 1q3k h ASP 132 N 0.13 0.79 -0.62 1.72 3.58 -0.68 -0.47 116.42 120.86 1q3k h ASP 132 Ca 0.06 -0.18 -0.09 0.00 0.42 0.00 0.00 57.03 57.24 1q3k h ASP 132 Cb 0.30 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.12 1q3k h ASP 132 CO 0.00 0.75 0.03 -0.07 -2.88 0.00 0.00 179.24 177.08 1q3k h LEU 133 N 0.78 1.05 0.05 2.28 3.38 -1.08 -1.18 115.31 120.58 1q3k h LEU 133 Ca 0.19 -0.28 -0.00 0.00 0.09 0.00 0.00 57.88 57.87 1q3k h LEU 133 Cb 0.22 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1q3k h LEU 133 CO -0.01 1.08 -0.02 0.00 0.09 0.00 0.00 178.44 179.57 1q3k h ALA 134 N 1.03 -0.06 -0.29 1.53 0.00 -1.02 -2.31 119.26 118.13 1q3k h ALA 134 Ca 0.18 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1q3k h ALA 134 Cb 0.52 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1q3k h ALA 134 CO 0.03 -0.39 0.14 -0.07 0.00 0.00 0.00 179.25 178.96 1q3k h LEU 135 N -0.35 0.35 -0.69 0.00 3.38 -1.07 0.95 115.31 117.88 1q3k h LEU 135 Ca -0.01 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 1q3k h LEU 135 Cb 0.32 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 1q3k h LEU 135 CO 0.01 0.30 0.03 -0.09 0.09 0.00 0.00 178.44 178.78 1q3k h ARG 136 N 0.40 1.04 -0.36 1.13 2.43 -1.12 -1.22 114.38 116.69 1q3k h ARG 136 Ca 0.10 -0.31 -0.11 0.00 -0.81 0.00 0.00 59.98 58.86 1q3k h ARG 136 Cb 0.04 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1q3k h ARG 136 CO -0.02 1.00 -0.19 1.49 -1.51 0.00 0.00 179.97 180.74 1q3k h GLU 137 N 0.96 0.77 -0.64 0.20 4.81 -0.66 -2.98 114.58 117.05 1q3k h GLU 137 Ca 0.18 -0.34 0.05 0.00 -0.13 0.00 0.00 59.36 59.11 1q3k h GLU 137 Cb 0.51 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 29.83 1q3k h GLU 137 CO 0.02 0.96 0.37 -0.07 -0.73 0.00 0.00 179.01 179.56 1q3k h LEU 138 N 0.56 0.56 -1.51 1.64 4.07 -0.57 -0.72 115.31 119.35 1q3k h LEU 138 Ca 0.08 0.02 0.04 0.00 0.08 0.00 0.00 57.88 58.09 1q3k h LEU 138 Cb 0.74 -0.10 -0.03 0.00 1.08 0.00 0.00 40.66 42.36 1q3k h LEU 138 CO 0.06 0.38 0.37 0.03 -1.08 0.00 0.00 178.44 178.20 1q3k h ARG 139 N 0.70 0.62 0.00 1.13 3.08 -1.16 0.29 114.38 119.04 1q3k h ARG 139 Ca 0.27 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 60.24 1q3k h ARG 139 Cb 0.12 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 1q3k h ARG 139 CO -0.15 0.41 -0.20 1.88 -1.07 0.00 0.00 179.97 180.84 1q3k h TYR 140 N 0.64 0.00 -0.05 3.04 0.99 -1.01 -1.37 116.97 119.21 1q3k h TYR 140 Ca 0.23 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.96 1q3k h TYR 140 Cb 0.11 0.00 0.00 0.00 1.00 0.00 0.00 36.73 37.84 1q3k h TYR 140 CO -0.00 0.20 0.00 0.00 -0.00 0.00 0.00 178.16 178.36 1q3k n ALA 141 N -2.36 2.58 -0.49 3.88 0.00 0.94 -4.93 120.51 120.13 1q3k n ALA 141 Ca -0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.00 1q3k n ALA 141 Cb 0.30 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.56 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 1.13 1.33 3.57 0.00 0.00 -0.52 -5.02 105.19 105.68 1q3k n GLY 142 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.23 4.69 -0.16 -0.61 1.01 -0.65 -4.90 121.20 117.36 1q3k s ILE 143 Ca 0.00 0.67 0.01 0.00 0.00 0.00 0.00 60.65 61.34 1q3k s ILE 143 Cb 0.00 -4.26 0.03 0.00 0.01 0.00 0.00 42.46 38.24 1q3k s ILE 143 CO 0.00 -0.56 0.77 1.41 0.00 0.00 0.00 174.94 176.56 1q3k n HIS 144 N 6.56 0.03 -1.00 3.97 8.25 -1.26 -3.51 115.22 128.25 1q3k n HIS 144 Ca 0.03 -0.23 0.07 0.00 -0.26 0.00 0.00 57.72 57.32 1q3k n HIS 144 Cb 0.48 -0.02 0.29 0.00 1.12 0.00 0.00 29.99 31.86 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 -0.12 4.27 -4.70 0.41 5.75 -1.26 -4.95 116.55 115.95 1q3k n ASP 145 Ca 0.01 -3.05 -0.41 0.00 -0.01 0.00 0.00 54.79 51.34 1q3k n ASP 145 Cb 0.15 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.61 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 -2.85 3.54 -0.04 2.11 5.36 -1.26 -4.84 117.98 120.00 1q3k s PHE 146 Ca 0.46 1.36 0.07 0.00 -0.96 0.00 0.00 56.93 57.85 1q3k s PHE 146 Cb 0.37 -2.96 -0.01 0.00 -0.34 0.00 0.00 43.02 40.08 1q3k s PHE 146 CO 0.10 -0.06 -0.24 0.21 -1.46 0.00 0.00 175.22 173.77 1q3k s LYS 147 N 1.35 2.24 -0.04 10.12 2.20 0.77 -5.02 119.74 131.36 1q3k s LYS 147 Ca 0.41 -0.86 0.05 0.00 -0.36 0.00 0.00 55.97 55.21 1q3k s LYS 147 Cb -0.18 -2.00 -0.01 0.00 -1.51 0.00 0.00 37.83 34.13 1q3k s LYS 147 CO 0.18 0.43 -0.20 0.08 -0.36 0.00 0.00 175.35 175.48 1q3k s VAL 148 N -0.31 1.62 -0.16 4.02 1.01 -1.26 -1.87 120.40 123.45 1q3k s VAL 148 Ca 0.02 -0.84 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1q3k s VAL 148 Cb -0.12 -1.37 0.01 0.00 0.00 0.00 0.00 36.38 34.90 1q3k s VAL 148 CO 0.02 0.46 -0.18 -0.69 0.00 0.00 0.00 175.10 174.71 1q3k s VAL 149 N -0.14 2.38 -0.01 2.92 1.01 0.30 -4.99 120.40 121.88 1q3k s VAL 149 Ca -0.01 -0.86 0.05 0.00 0.00 0.00 0.00 61.98 61.16 1q3k s VAL 149 Cb -0.11 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 1q3k s VAL 149 CO 0.02 0.52 -0.14 -0.69 0.00 0.00 0.00 175.10 174.81 1q3k s VAL 150 N 0.99 3.10 -0.08 2.92 1.01 -1.26 -0.57 120.40 126.52 1q3k s VAL 150 Ca -0.02 -0.89 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 1q3k s VAL 150 Cb -0.15 -2.27 0.09 0.00 0.00 0.00 0.00 36.38 34.05 1q3k s VAL 150 CO -0.04 0.47 0.79 -1.48 0.00 0.00 0.00 175.10 174.83 1q3k s LEU 151 N -1.11 -0.55 -0.30 3.92 0.05 -0.91 -4.95 118.68 114.82 1q3k s LEU 151 Ca 0.14 0.56 -0.10 0.00 0.05 0.00 0.00 54.13 54.78 1q3k s LEU 151 Cb -0.11 2.30 -0.02 0.00 -2.05 0.00 0.00 46.19 46.32 1q3k s LEU 151 CO 0.04 -0.54 0.16 -0.44 -0.55 0.00 0.00 176.35 175.02 1q3k s SER 152 N -1.27 5.62 0.40 1.48 0.01 -1.26 -1.08 113.70 117.61 1q3k s SER 152 Ca -0.07 -0.41 0.21 0.00 1.31 0.00 0.00 55.95 56.99 1q3k s SER 152 Cb -0.00 -2.03 1.17 0.00 0.21 0.00 0.00 66.02 65.37 1q3k s SER 152 CO 0.06 -0.16 1.73 0.10 0.41 0.00 0.00 173.24 175.38 1q3k h TYR 153 N 8.36 0.64 0.00 2.43 -0.00 -1.93 -0.09 116.97 126.38 1q3k h TYR 153 Ca -0.33 0.02 -0.00 0.00 0.00 0.00 0.00 58.73 58.42 1q3k h TYR 153 Cb 1.16 -0.18 -0.00 0.00 0.00 0.00 0.00 36.73 37.71 1q3k h TYR 153 CO 0.66 -0.01 -0.00 0.11 -0.00 0.00 0.00 178.16 178.92 1q3k h TRP 154 N 0.32 0.00 0.00 0.10 0.09 -1.95 -2.26 115.95 112.25 1q3k h TRP 154 Ca 0.65 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.63 1q3k h TRP 154 Cb 1.75 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.99 1q3k h TRP 154 CO -0.00 0.00 0.00 -0.25 0.09 0.00 0.00 178.44 178.28 1q3k n ASP 155 N -3.10 0.58 -0.01 0.11 8.00 -0.05 -1.75 116.55 120.34 1q3k n ASP 155 Ca -0.01 0.65 0.16 0.00 0.71 0.00 0.00 54.79 56.30 1q3k n ASP 155 Cb 0.20 -0.77 0.88 0.00 -0.02 0.00 0.00 41.12 41.41 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 -2.15 0.00 -3.07 1.24 3.01 -0.85 -4.23 117.46 111.40 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 0.21 -0.09 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 -1.06 4.80 -0.12 -4.37 0.31 -0.72 -4.69 118.33 112.48 1q3k n VAL 157 Ca 0.21 -5.41 -0.17 0.00 -0.01 0.00 0.00 64.34 58.95 1q3k n VAL 157 Cb 0.16 -2.37 -0.11 0.00 -0.91 0.00 0.00 33.84 30.61 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 2.65 0.60 -1.53 5.55 5.02 -1.26 -4.88 118.16 124.32 1q3k n LYS 158 Ca 0.28 0.14 -0.59 0.00 -2.02 0.00 0.00 58.31 56.13 1q3k n LYS 158 Cb 0.37 -1.47 -0.09 0.00 -0.02 0.00 0.00 35.03 33.82 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 -3.25 1.66 -0.07 4.39 2.03 -1.26 -4.78 116.55 115.27 1q3k n ASP 159 Ca -0.43 0.83 0.19 0.00 0.52 0.00 0.00 54.79 55.90 1q3k n ASP 159 Cb 0.95 -1.05 0.63 0.00 -0.72 0.00 0.00 41.12 40.92 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 8.55 0.13 -0.32 -0.67 0.11 -1.98 0.24 132.00 138.07 1q3k h PRO 160 Ca -0.31 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.73 1q3k h PRO 160 Cb 1.36 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.43 1q3k h PRO 160 CO 1.02 0.09 -0.04 0.00 -0.21 0.00 0.00 178.00 178.85 1q3k h ALA 161 N 1.69 0.43 -0.46 -0.75 0.00 -1.98 0.30 119.26 118.49 1q3k h ALA 161 Ca 0.30 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 1q3k h ALA 161 Cb 1.00 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1q3k h ALA 161 CO -0.04 0.23 -0.25 0.28 0.00 0.00 0.00 179.25 179.47 1q3k h VAL 162 N 0.37 1.27 -0.71 0.00 2.07 -1.30 -0.05 116.25 117.90 1q3k h VAL 162 Ca 0.08 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.12 1q3k h VAL 162 Cb 0.51 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.43 1q3k h VAL 162 CO 0.02 0.49 0.21 0.40 0.02 0.00 0.00 177.57 178.72 1q3k h ILE 163 N 0.84 1.26 -0.16 4.57 2.04 -0.44 0.18 117.51 125.80 1q3k h ILE 163 Ca 0.10 -0.91 -0.01 0.00 1.00 0.00 0.00 64.86 65.04 1q3k h ILE 163 Cb 0.84 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1q3k h ILE 163 CO 0.07 0.35 0.04 -0.61 0.00 0.00 0.00 178.15 178.01 1q3k h GLN 164 N 1.05 0.25 -0.76 2.37 4.15 -0.24 0.55 115.11 122.48 1q3k h GLN 164 Ca 0.23 -0.06 -0.00 0.00 0.77 0.00 0.00 58.65 59.59 1q3k h GLN 164 Cb 0.32 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 27.93 1q3k h GLN 164 CO -0.01 0.38 0.47 -0.09 -1.93 0.00 0.00 178.83 177.65 1q3k h ARG 165 N 0.07 1.02 -0.08 1.69 9.65 -0.71 -1.55 114.38 124.46 1q3k h ARG 165 Ca 0.05 -0.08 -0.08 0.00 -1.10 0.00 0.00 59.98 58.77 1q3k h ARG 165 Cb 0.24 -0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1q3k h ARG 165 CO -0.00 0.71 -0.27 -0.07 2.80 0.00 0.00 179.97 183.14 1q3k h LEU 166 N 1.04 0.38 -5.69 3.80 -0.00 -0.34 -3.37 115.31 111.13 1q3k h LEU 166 Ca 0.27 -0.61 -0.62 0.00 -0.00 0.00 0.00 57.88 56.93 1q3k h LEU 166 Cb -0.06 -0.11 -0.40 0.00 -0.00 0.00 0.00 40.66 40.09 1q3k h LEU 166 CO -0.05 0.92 -0.44 -1.22 -0.00 0.00 0.00 178.44 177.65 1q3k n TYR 167 N -4.47 3.78 -1.78 1.13 4.02 0.19 -4.98 117.16 115.05 1q3k n TYR 167 Ca -0.08 -3.88 -0.20 0.00 -0.01 0.00 0.00 57.90 53.73 1q3k n TYR 167 Cb 0.46 -0.59 -0.09 0.00 -0.02 0.00 0.00 39.34 39.10 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 -3.23 1.70 0.00 -0.72 0.02 -0.60 -0.28 135.00 131.89 1q3k s PRO 168 Ca 0.45 -0.59 0.00 0.00 0.02 0.00 0.00 61.00 60.88 1q3k s PRO 168 Cb 0.23 -5.05 0.00 0.00 0.02 0.00 0.00 34.50 29.69 1q3k s PRO 168 CO -0.09 -4.83 0.00 -1.91 -0.33 0.00 0.00 177.00 169.84 1q3k n GLU 169 N 8.29 0.00 0.00 5.54 4.07 -1.26 -5.12 120.64 132.16 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 1.09 3.72 8.31 0.00 0.61 -4.99 105.19 113.93 1q3k n GLY 170 Ca 0.00 -1.59 -0.39 0.00 0.00 0.00 0.00 46.02 44.04 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 -2.03 3.56 0.04 1.61 5.99 -1.26 -4.88 117.98 121.02 1q3k s PHE 171 Ca 0.00 1.13 0.06 0.00 0.00 0.00 0.00 56.93 58.12 1q3k s PHE 171 Cb 0.00 -2.71 -0.23 0.00 0.00 0.00 0.00 43.02 40.07 1q3k s PHE 171 CO 0.00 0.12 0.99 -0.07 -0.00 0.00 0.00 175.22 176.26 1q3k h LEU 172 N 6.71 0.09 0.00 6.12 3.38 -1.96 -3.50 115.31 126.15 1q3k h LEU 172 Ca -0.41 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1q3k h LEU 172 Cb 1.19 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1q3k h LEU 172 CO 0.75 1.11 0.00 0.61 0.09 0.00 0.00 178.44 181.00 1q3k n GLY 173 N 1.49 3.52 0.26 0.83 0.00 -1.26 -4.87 105.19 105.15 1q3k n GLY 173 Ca -0.09 -1.81 0.13 0.00 0.00 0.00 0.00 46.02 44.25 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 0.11 1.61 -0.00 -1.97 -3.26 115.95 112.45 1q3k h TRP 174 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 58.89 58.91 1q3k h TRP 174 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 29.16 29.11 1q3k h TRP 174 CO 0.00 0.13 -0.48 -0.44 -0.00 0.00 0.00 178.44 177.65 1q3k h ASP 175 N 0.00 -1.44 -0.23 -3.49 3.45 -1.89 -2.36 116.42 110.45 1q3k h ASP 175 Ca -0.00 0.16 0.00 0.00 0.43 0.00 0.00 57.03 57.62 1q3k h ASP 175 Cb 0.49 0.54 0.00 0.00 -0.56 0.00 0.00 39.33 39.80 1q3k h ASP 175 CO 0.02 -0.53 0.00 2.30 -1.57 0.00 0.00 179.24 179.46 1q3k n ILE 176 N -5.48 0.48 -0.86 0.35 -5.35 -1.23 -4.33 119.36 102.94 1q3k n ILE 176 Ca -0.08 -0.36 -0.11 0.00 -0.27 0.00 0.00 62.75 61.94 1q3k n ILE 176 Cb 0.40 0.01 -0.05 0.00 -1.74 0.00 0.00 39.64 38.26 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 0.21 1.64 -3.60 6.28 -0.58 -0.89 -3.24 120.64 120.47 1q3k n GLU 177 Ca 0.08 -0.93 -0.40 0.00 -0.42 0.00 0.00 57.16 55.49 1q3k n GLU 177 Cb 0.30 -1.57 -0.11 0.00 -0.57 0.00 0.00 31.44 29.49 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 -0.31 3.27 -0.17 -0.32 5.65 -1.26 -4.25 115.29 117.89 1q3k s HIS 178 Ca 0.34 -1.14 0.00 0.00 0.25 0.00 0.00 55.06 54.51 1q3k s HIS 178 Cb 0.19 -2.59 0.00 0.00 -1.18 0.00 0.00 32.58 29.00 1q3k s HIS 178 CO -0.03 -0.71 0.00 0.41 -0.65 0.00 0.00 174.74 173.75 1q3k n GLY 179 N 4.98 0.52 0.00 1.59 0.00 -1.26 -2.15 105.19 108.87 1q3k n GLY 179 Ca -0.11 -0.36 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.34 1.00 0.12 -0.02 0.00 -1.26 -4.43 105.19 98.28 1q3k n GLY 180 Ca -0.02 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.80 0.19 1.61 2.07 -1.84 -1.55 116.25 117.53 1q3k h VAL 181 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1q3k h VAL 181 Cb 0.00 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1q3k h VAL 181 CO 0.00 0.00 -0.44 0.15 0.02 0.00 0.00 177.57 177.30 1q3k h PHE 182 N -0.14 -1.28 -0.05 1.57 3.57 -1.94 0.57 116.94 119.25 1q3k h PHE 182 Ca 0.03 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.56 1q3k h PHE 182 Cb 0.18 0.53 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 1q3k h PHE 182 CO -0.15 -0.52 0.02 0.93 -2.23 0.00 0.00 178.31 176.36 1q3k h GLU 183 N -0.70 0.07 -0.92 1.11 5.08 -1.84 -2.20 114.58 115.19 1q3k h GLU 183 Ca -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1q3k h GLU 183 Cb 0.67 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 29.86 1q3k h GLU 183 CO -0.19 0.23 0.60 1.15 -1.00 0.00 0.00 179.01 179.80 1q3k h THR 184 N -0.10 1.20 0.14 1.13 2.02 -1.23 0.35 112.91 116.43 1q3k h THR 184 Ca 0.02 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 1q3k h THR 184 Cb 0.19 -0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1q3k h THR 184 CO -0.00 0.22 -0.07 0.28 0.37 0.00 0.00 175.52 176.32 1q3k h SER 185 N 1.20 -0.16 -0.33 4.18 0.02 -0.83 0.36 113.55 118.00 1q3k h SER 185 Ca 0.35 -0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1q3k h SER 185 Cb -0.08 0.04 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1q3k h SER 185 CO -0.09 0.10 0.22 0.25 -1.14 0.00 0.00 176.83 176.17 1q3k h LEU 186 N -0.44 0.32 -0.67 5.07 5.85 -1.08 -0.29 115.31 124.08 1q3k h LEU 186 Ca -0.02 -0.01 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 1q3k h LEU 186 Cb 0.35 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1q3k h LEU 186 CO 0.03 0.23 -0.53 -0.03 -0.34 0.00 0.00 178.44 177.80 1q3k h MET 187 N 0.37 0.37 0.00 1.25 4.05 0.16 -2.78 114.93 118.35 1q3k h MET 187 Ca 0.13 -0.22 -0.03 0.00 -0.28 0.00 0.00 59.70 59.29 1q3k h MET 187 Cb 0.06 0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 30.88 1q3k h MET 187 CO -0.03 0.81 -0.16 -0.07 0.23 0.00 0.00 176.91 177.70 1q3k h LEU 188 N 0.29 0.00 -0.67 3.39 3.38 0.15 0.10 115.31 121.94 1q3k h LEU 188 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1q3k h LEU 188 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1q3k h LEU 188 CO 0.09 0.16 -0.44 0.00 0.09 0.00 0.00 178.44 178.34 1q3k n ALA 189 N -2.17 3.48 0.00 1.53 0.00 -0.87 -4.20 120.51 118.27 1q3k n ALA 189 Ca 0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.92 1q3k n ALA 189 Cb 0.43 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.94 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 -0.47 0.68 -3.28 0.00 4.77 -1.07 -4.93 117.00 112.70 1q3k n LEU 190 Ca 0.10 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.83 1q3k n LEU 190 Cb 0.40 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.42 1q3k n LEU 190 CO 0.29 0.09 -0.17 -1.22 -1.33 0.00 0.00 177.39 175.05 1q3k n TYR 191 N -2.84 1.05 -0.05 -1.77 4.02 0.01 -4.95 117.16 112.63 1q3k n TYR 191 Ca 0.00 -3.77 0.07 0.00 -0.01 0.00 0.00 57.90 54.19 1q3k n TYR 191 Cb 0.47 -0.42 0.45 0.00 -0.02 0.00 0.00 39.34 39.81 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 4.09 0.51 -0.64 -0.72 0.11 -1.72 -1.83 132.00 131.79 1q3k h PRO 192 Ca 0.12 -0.03 0.05 0.00 0.11 0.00 0.00 66.00 66.25 1q3k h PRO 192 Cb 0.80 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 31.76 1q3k h PRO 192 CO 0.59 0.33 0.42 -0.44 -0.21 0.00 0.00 178.00 178.70 1q3k h ASP 193 N 0.52 0.61 0.16 -2.05 3.32 -1.92 -1.33 116.42 115.72 1q3k h ASP 193 Ca 0.21 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1q3k h ASP 193 Cb 0.19 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.61 1q3k h ASP 193 CO -0.06 0.41 -0.01 0.18 -1.72 0.00 0.00 179.24 178.04 1q3k n LEU 194 N -4.47 0.16 -4.10 1.55 4.77 -0.69 -4.76 117.00 109.46 1q3k n LEU 194 Ca 0.09 0.02 -0.23 0.00 -0.03 0.00 0.00 56.01 55.86 1q3k n LEU 194 Cb 0.19 -0.08 -0.16 0.00 -2.33 0.00 0.00 43.42 41.04 1q3k n LEU 194 CO 0.34 0.03 -0.48 0.54 -1.33 0.00 0.00 177.39 176.49 1q3k s VAL 195 N -2.17 1.18 -0.40 4.08 0.11 -0.50 -2.69 120.40 120.01 1q3k s VAL 195 Ca 0.41 -0.61 0.01 0.00 -2.93 0.00 0.00 61.98 58.87 1q3k s VAL 195 Cb 0.21 -1.01 0.14 0.00 -1.53 0.00 0.00 36.38 34.19 1q3k s VAL 195 CO 0.40 0.34 0.23 -0.62 -3.33 0.00 0.00 175.10 172.12 1q3k s ASP 196 N -0.10 3.25 0.65 3.54 2.15 -0.26 -4.90 116.67 121.00 1q3k s ASP 196 Ca 0.01 -2.45 0.25 0.00 0.43 0.00 0.00 52.55 50.79 1q3k s ASP 196 Cb -0.08 -0.71 1.33 0.00 -0.30 0.00 0.00 42.92 43.16 1q3k s ASP 196 CO 0.01 -0.28 1.76 -0.07 -0.17 0.00 0.00 175.17 176.41 1q3k h LEU 197 N 6.81 0.00 -0.97 -1.34 -0.00 -1.95 -0.37 115.31 117.48 1q3k h LEU 197 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 1q3k h LEU 197 Cb 0.94 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.60 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 -1.94 -2.71 114.58 116.13 1q3k h GLU 198 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1q3k h GLU 198 Cb 1.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.28 1q3k h GLU 198 CO -0.00 0.00 -0.69 0.54 -1.00 0.00 0.00 179.01 177.86 1q3k n ARG 199 N -2.52 0.22 -1.54 2.33 1.74 -0.15 -4.92 116.66 111.82 1q3k n ARG 199 Ca 0.02 -0.17 -0.50 0.00 -0.77 0.00 0.00 57.85 56.43 1q3k n ARG 199 Cb 0.25 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 30.14 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 -1.24 0.31 -2.90 1.55 0.31 -1.03 -4.50 118.33 110.84 1q3k n VAL 200 Ca 0.06 -0.24 -0.44 0.00 -0.01 0.00 0.00 64.34 63.71 1q3k n VAL 200 Cb 0.35 -1.81 -0.03 0.00 -0.91 0.00 0.00 33.84 31.45 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 6.45 4.60 0.38 2.52 1.01 -1.26 -4.96 120.40 129.13 1q3k s VAL 201 Ca 1.04 -1.24 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 1q3k s VAL 201 Cb -0.76 -4.76 -0.11 0.00 0.00 0.00 0.00 36.38 30.75 1q3k s VAL 201 CO 0.49 -1.51 1.35 -0.67 0.00 0.00 0.00 175.10 174.76 1q3k n ASP 202 N 6.92 3.04 -3.53 3.32 -0.08 -1.26 -4.88 116.55 120.08 1q3k n ASP 202 Ca 0.17 1.18 -0.11 0.00 -1.51 0.00 0.00 54.79 54.53 1q3k n ASP 202 Cb 0.48 -1.53 -0.02 0.00 2.34 0.00 0.00 41.12 42.39 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 -1.13 -0.44 0.57 -0.67 -3.43 -1.26 -5.04 115.29 103.89 1q3k s HIS 203 Ca 0.56 0.17 -0.19 0.00 -0.80 0.00 0.00 55.06 54.81 1q3k s HIS 203 Cb -0.52 0.57 -0.04 0.00 -1.43 0.00 0.00 32.58 31.16 1q3k s HIS 203 CO 0.61 -0.92 1.19 -2.14 -2.00 0.00 0.00 174.74 171.48 1q3k s PRO 204 N -3.79 3.13 0.28 -0.38 0.02 -1.26 -3.94 135.00 129.06 1q3k s PRO 204 Ca 0.03 1.77 -0.29 0.00 0.02 0.00 0.00 61.00 62.54 1q3k s PRO 204 Cb -0.02 -1.98 -0.14 0.00 0.02 0.00 0.00 34.50 32.38 1q3k s PRO 204 CO -0.09 -1.07 1.16 -2.30 -0.33 0.00 0.00 177.00 174.38 1q3k n PRO 205 N -1.43 1.65 -1.92 5.54 -0.02 -1.26 -4.79 135.00 132.77 1q3k n PRO 205 Ca 0.13 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.79 1q3k n PRO 205 Cb 0.50 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 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 -0.83 3.29 0.01 3.55 0.00 0.12 -5.00 121.76 122.91 1q3k s ALA 206 Ca 0.61 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.98 1q3k s ALA 206 Cb -0.67 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 18.89 1q3k s ALA 206 CO 0.58 -1.00 -0.12 0.99 0.00 0.00 0.00 175.76 176.21 1q3k s THR 207 N -1.22 0.97 0.04 0.00 2.01 -1.26 -4.98 115.64 111.20 1q3k s THR 207 Ca 0.58 -0.73 -0.02 0.00 0.31 0.00 0.00 61.69 61.83 1q3k s THR 207 Cb -0.41 -0.85 -0.03 0.00 0.01 0.00 0.00 72.50 71.22 1q3k s THR 207 CO 0.54 0.12 -0.00 -0.36 -0.69 0.00 0.00 174.62 174.22 1q3k s PHE 208 N -0.57 0.35 0.96 4.92 0.40 -1.26 -5.07 117.98 117.71 1q3k s PHE 208 Ca 0.03 -0.73 -0.12 0.00 -0.60 0.00 0.00 56.93 55.51 1q3k s PHE 208 Cb -0.06 -0.26 0.16 0.00 0.51 0.00 0.00 43.02 43.38 1q3k s PHE 208 CO 0.00 -0.30 1.09 -2.14 0.70 0.00 0.00 175.22 174.57 1q3k s PRO 209 N -2.63 0.77 0.00 0.24 0.02 -1.26 -4.85 135.00 127.28 1q3k s PRO 209 Ca -0.05 0.85 0.00 0.00 0.02 0.00 0.00 61.00 61.82 1q3k s PRO 209 Cb -0.01 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.76 1q3k s PRO 209 CO -0.05 -2.59 0.33 -2.30 -0.33 0.00 0.00 177.00 172.07 1q3k n PRO 210 N -4.13 0.43 -4.04 5.54 -0.02 -1.26 -4.76 135.00 126.76 1q3k n PRO 210 Ca 0.07 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.42 1q3k n PRO 210 Cb 0.55 -1.26 -0.04 0.00 -0.02 0.00 0.00 33.50 32.74 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 -0.11 0.81 0.18 6.00 -0.85 -1.26 -5.18 117.35 116.95 1q3k s TYR 211 Ca 0.00 -1.12 0.10 0.00 -0.52 0.00 0.00 57.07 55.53 1q3k s TYR 211 Cb 0.00 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.37 1q3k s TYR 211 CO 0.00 -1.15 -0.21 -0.51 -1.52 0.00 0.00 175.55 172.16 1q3k s ASP 212 N -3.17 3.03 -0.02 -0.18 1.01 -1.26 -5.08 116.67 111.01 1q3k s ASP 212 Ca 0.27 -0.88 0.04 0.00 0.71 0.00 0.00 52.55 52.70 1q3k s ASP 212 Cb -0.01 -0.20 -0.01 0.00 1.01 0.00 0.00 42.92 43.71 1q3k s ASP 212 CO 0.17 0.03 -0.15 -0.69 0.21 0.00 0.00 175.17 174.74 1q3k s VAL 213 N -1.94 1.19 -0.00 -1.27 1.01 -1.26 -5.13 120.40 113.00 1q3k s VAL 213 Ca 0.19 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 61.54 1q3k s VAL 213 Cb -0.06 -1.00 -0.00 0.00 0.00 0.00 0.00 36.38 35.31 1q3k s VAL 213 CO 0.08 0.34 -0.03 -0.36 0.00 0.00 0.00 175.10 175.14 1q3k s PHE 214 N -0.27 0.26 0.49 5.22 0.40 -1.26 -3.63 117.98 119.20 1q3k s PHE 214 Ca 0.04 -0.05 -0.24 0.00 -0.60 0.00 0.00 56.93 56.09 1q3k s PHE 214 Cb -0.07 -0.18 -0.07 0.00 0.51 0.00 0.00 43.02 43.22 1q3k s PHE 214 CO -0.00 -0.01 1.35 -2.30 0.70 0.00 0.00 175.22 174.96 1q3k n PRO 215 N 3.04 1.89 -1.64 0.24 -0.02 -1.26 -5.06 135.00 132.19 1q3k n PRO 215 Ca -0.13 0.68 -0.48 0.00 -2.02 0.00 0.00 63.50 61.55 1q3k n PRO 215 Cb 0.59 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.49 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 -0.62 0.00 -3.12 -1.45 3.14 -1.24 -4.94 118.33 110.11 1q3k n VAL 216 Ca 0.08 -0.00 -0.43 0.00 -2.96 0.00 0.00 64.34 61.03 1q3k n VAL 216 Cb 0.43 -1.26 -0.07 0.00 -1.06 0.00 0.00 33.84 31.88 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 0.74 6.33 0.53 6.55 -1.08 -1.26 -4.94 116.67 123.53 1q3k s ASP 217 Ca 0.81 -0.30 0.19 0.00 -0.52 0.00 0.00 52.55 52.73 1q3k s ASP 217 Cb -0.79 -2.32 1.32 0.00 -1.46 0.00 0.00 42.92 39.68 1q3k s ASP 217 CO 0.41 -0.75 2.11 -0.65 0.52 0.00 0.00 175.17 176.81 1q3k h PRO 218 N 8.83 0.00 0.00 4.34 0.11 -1.95 -0.88 132.00 142.45 1q3k h PRO 218 Ca -0.26 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.85 1q3k h PRO 218 Cb 1.10 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1q3k h PRO 218 CO 0.88 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 178.67 1q3k h ALA 219 N 1.92 1.01 -0.01 -0.75 0.00 -2.00 -2.18 119.26 117.25 1q3k h ALA 219 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 1q3k h ALA 219 Cb 0.30 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1q3k h ALA 219 CO -0.00 0.01 -0.08 0.54 0.00 0.00 0.00 179.25 179.71 1q3k n ARG 220 N -3.10 1.09 -4.39 0.00 1.74 -0.34 -4.78 116.66 106.89 1q3k n ARG 220 Ca -0.01 -0.49 -0.35 0.00 -0.77 0.00 0.00 57.85 56.23 1q3k n ARG 220 Cb 0.20 -1.49 -0.10 0.00 -1.02 0.00 0.00 32.46 30.05 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 -2.24 4.28 0.28 0.55 2.01 -0.82 -4.93 115.64 114.76 1q3k s THR 221 Ca 0.34 -0.26 -0.29 0.00 0.31 0.00 0.00 61.69 61.79 1q3k s THR 221 Cb 0.21 -2.79 -0.13 0.00 0.01 0.00 0.00 72.50 69.79 1q3k s THR 221 CO 0.42 0.61 1.28 -2.65 -0.69 0.00 0.00 174.62 173.58 1q3k n PRO 222 N 2.15 1.90 -0.29 4.92 -0.02 -1.26 -4.86 135.00 137.54 1q3k n PRO 222 Ca -0.19 0.67 0.11 0.00 -2.02 0.00 0.00 63.50 62.07 1q3k n PRO 222 Cb 0.54 -2.24 0.25 0.00 -0.02 0.00 0.00 33.50 32.03 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 3.12 1.12 0.00 3.55 0.00 -1.90 -0.03 119.26 125.12 1q3k h ALA 223 Ca -0.44 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 1q3k h ALA 223 Cb 1.29 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 19.45 1q3k h ALA 223 CO 0.68 -0.46 -0.07 -1.35 0.00 0.00 0.00 179.25 178.04 1q3k h PRO 224 N 0.17 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.88 1q3k h PRO 224 Ca 0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.62 1q3k h PRO 224 Cb 1.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.11 1q3k h PRO 224 CO -0.67 0.07 0.00 0.41 -0.21 0.00 0.00 178.00 177.60 1q3k n GLY 225 N -0.97 2.34 3.87 -0.55 0.00 -0.02 -3.42 105.19 106.44 1q3k n GLY 225 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.43 4.73 -0.73 2.61 -4.23 -1.26 -4.46 115.64 109.87 1q3k s THR 226 Ca 0.00 0.79 0.18 0.00 -1.18 0.00 0.00 61.69 61.48 1q3k s THR 226 Cb 0.00 -3.85 -0.20 0.00 1.34 0.00 0.00 72.50 69.79 1q3k s THR 226 CO 0.00 -1.03 0.70 0.18 -0.54 0.00 0.00 174.62 173.93 1q3k n LEU 227 N -2.50 0.72 -3.60 4.79 4.77 -0.91 -4.20 117.00 116.08 1q3k n LEU 227 Ca 0.05 -0.44 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 1q3k n LEU 227 Cb 0.54 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.56 1q3k n LEU 227 CO 0.56 0.18 0.31 -0.94 -1.33 0.00 0.00 177.39 176.16 1q3k s SER 228 N -2.85 -0.51 0.51 -1.43 1.04 -1.20 0.14 113.70 109.40 1q3k s SER 228 Ca 0.05 0.51 -0.21 0.00 0.48 0.00 0.00 55.95 56.78 1q3k s SER 228 Cb 0.13 0.47 -0.07 0.00 0.10 0.00 0.00 66.02 66.65 1q3k s SER 228 CO 0.73 -0.56 1.14 -0.55 0.98 0.00 0.00 173.24 174.97 1q3k s SER 229 N -1.26 5.95 -0.17 7.02 0.15 -1.25 -4.01 113.70 120.12 1q3k s SER 229 Ca -0.12 2.21 0.17 0.00 0.70 0.00 0.00 55.95 58.91 1q3k s SER 229 Cb -0.02 -2.59 0.40 0.00 -1.71 0.00 0.00 66.02 62.10 1q3k s SER 229 CO 0.08 -1.07 1.27 0.00 1.20 0.00 0.00 173.24 174.72 1q3k n ALA 230 N -0.95 2.78 0.04 5.45 0.00 -1.26 -3.71 120.51 122.86 1q3k n ALA 230 Ca 0.10 -2.63 -0.01 0.00 0.00 0.00 0.00 53.44 50.89 1q3k n ALA 230 Cb 0.50 -0.51 0.26 0.00 0.00 0.00 0.00 19.45 19.70 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 0.74 0.42 -0.17 0.00 2.10 -1.93 -1.36 116.57 116.38 1q3k h LYS 231 Ca 0.02 -0.13 0.00 0.00 -2.00 0.00 0.00 60.65 58.54 1q3k h LYS 231 Cb 1.19 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 1q3k h LYS 231 CO 0.10 0.59 0.00 0.25 -2.00 0.00 0.00 179.45 178.40 1q3k n THR 232 N -4.18 0.11 -2.50 0.07 -2.24 -1.26 -4.83 114.28 99.44 1q3k n THR 232 Ca -0.00 -0.09 -0.41 0.00 -2.27 0.00 0.00 64.05 61.27 1q3k n THR 232 Cb 0.35 -0.01 -0.04 0.00 -2.10 0.00 0.00 70.33 68.53 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 -1.83 3.36 0.05 6.98 0.00 -0.51 -5.03 121.76 124.78 1q3k s ALA 233 Ca 0.04 0.80 0.01 0.00 0.00 0.00 0.00 51.96 52.81 1q3k s ALA 233 Cb 0.02 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 1q3k s ALA 233 CO 0.03 -0.29 -0.06 -1.54 0.00 0.00 0.00 175.76 173.90 1q3k s SER 234 N 0.42 0.75 0.37 0.00 1.04 -1.26 -4.88 113.70 110.14 1q3k s SER 234 Ca 0.53 -0.74 0.06 0.00 0.48 0.00 0.00 55.95 56.29 1q3k s SER 234 Cb -0.29 0.09 0.73 0.00 0.10 0.00 0.00 66.02 66.66 1q3k s SER 234 CO 0.32 -0.36 1.95 -0.09 0.98 0.00 0.00 173.24 176.04 1q3k h ARG 235 N 3.89 0.47 -0.48 4.02 2.43 -1.86 -1.82 114.38 121.03 1q3k h ARG 235 Ca -0.35 -0.07 -0.00 0.00 -0.81 0.00 0.00 59.98 58.75 1q3k h ARG 235 Cb 1.18 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.63 1q3k h ARG 235 CO 0.51 0.45 0.29 0.93 -1.51 0.00 0.00 179.97 180.64 1q3k h GLU 236 N 0.46 0.64 -0.48 0.20 3.07 -1.95 0.82 114.58 117.34 1q3k h GLU 236 Ca 0.11 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 58.91 1q3k h GLU 236 Cb 0.20 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.95 1q3k h GLU 236 CO -0.00 0.46 0.29 0.87 -1.40 0.00 0.00 179.01 179.23 1q3k h LYS 237 N 0.64 0.65 -0.84 2.33 1.57 -1.77 -1.93 116.57 117.22 1q3k h LYS 237 Ca 0.17 -0.06 0.12 0.00 -1.87 0.00 0.00 60.65 59.01 1q3k h LYS 237 Cb -0.02 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.07 1q3k h LYS 237 CO -0.03 0.48 0.46 0.78 -0.57 0.00 0.00 179.45 180.57 1q3k h GLY 238 N 0.65 1.33 1.30 3.86 0.00 -0.53 -0.70 103.07 108.97 1q3k h GLY 238 Ca 0.17 -0.29 -0.07 0.00 0.00 0.00 0.00 47.33 47.14 1q3k h GLY 238 CO -0.03 0.06 0.04 0.83 0.00 0.00 0.00 176.54 177.45 1q3k h GLU 239 N 0.73 0.86 -0.15 4.80 4.39 -0.34 -0.40 114.58 124.47 1q3k h GLU 239 Ca 0.43 -0.22 -0.04 0.00 0.34 0.00 0.00 59.36 59.86 1q3k h GLU 239 Cb 0.48 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 1q3k h GLU 239 CO -0.29 0.83 -0.08 1.25 -1.16 0.00 0.00 179.01 179.56 1q3k h LEU 240 N 0.81 0.32 -0.28 1.33 5.85 -0.52 -2.45 115.31 120.38 1q3k h LEU 240 Ca 0.16 -0.42 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1q3k h LEU 240 Cb 0.42 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 1q3k h LEU 240 CO 0.01 0.67 0.10 0.40 -0.34 0.00 0.00 178.44 179.28 1q3k h ILE 241 N -0.03 0.93 -0.28 4.05 2.04 -1.02 -1.14 117.51 122.06 1q3k h ILE 241 Ca 0.03 -0.08 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1q3k h ILE 241 Cb 0.55 0.69 -0.04 0.00 -0.74 0.00 0.00 36.82 37.28 1q3k h ILE 241 CO 0.02 0.04 0.01 0.25 0.00 0.00 0.00 178.15 178.47 1q3k h LEU 242 N 0.22 -0.10 -0.41 1.44 5.85 -1.04 -0.07 115.31 121.19 1q3k h LEU 242 Ca 0.12 0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1q3k h LEU 242 Cb 0.09 0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 1q3k h LEU 242 CO -0.12 -0.02 0.07 -0.33 -0.34 0.00 0.00 178.44 177.70 1q3k h GLU 243 N 0.09 0.68 -0.38 1.25 4.39 -1.18 0.50 114.58 119.94 1q3k h GLU 243 Ca 0.13 -0.18 0.04 0.00 0.34 0.00 0.00 59.36 59.69 1q3k h GLU 243 Cb 0.17 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.70 1q3k h GLU 243 CO -0.22 0.72 0.16 0.28 -1.16 0.00 0.00 179.01 178.79 1q3k h VAL 244 N 0.54 0.93 0.22 3.13 2.07 -0.91 -0.08 116.25 122.15 1q3k h VAL 244 Ca 0.13 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.52 1q3k h VAL 244 Cb 0.36 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.70 1q3k h VAL 244 CO 0.01 0.06 -0.11 0.00 0.02 0.00 0.00 177.57 177.55 1q3k h VAL 246 N -0.63 1.15 -0.04 0.00 2.07 -0.84 0.11 116.25 118.08 1q3k h VAL 246 Ca -0.03 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 67.04 1q3k h VAL 246 Cb 0.45 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1q3k h VAL 246 CO 0.05 0.23 -0.07 -0.61 0.02 0.00 0.00 177.57 177.18 1q3k h GLN 247 N 1.25 0.11 -0.37 1.57 5.75 -1.00 -1.58 115.11 120.84 1q3k h GLN 247 Ca 0.41 -0.07 0.02 0.00 -0.15 0.00 0.00 58.65 58.86 1q3k h GLN 247 Cb 0.05 0.01 -0.03 0.00 1.07 0.00 0.00 27.48 28.58 1q3k h GLN 247 CO -0.14 0.66 0.21 0.78 -2.65 0.00 0.00 178.83 177.68 1q3k h GLY 248 N -0.42 0.51 1.00 2.39 0.00 -0.88 -1.51 103.07 104.17 1q3k h GLY 248 Ca 0.00 -0.15 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1q3k h GLY 248 CO 0.02 0.13 -0.02 -2.22 0.00 0.00 0.00 176.54 174.45 1q3k h ILE 249 N 0.42 1.26 -0.53 2.60 2.04 -0.87 -0.16 117.51 122.28 1q3k h ILE 249 Ca 0.15 -1.09 0.03 0.00 1.00 0.00 0.00 64.86 64.94 1q3k h ILE 249 Cb 0.02 1.02 -0.04 0.00 -0.74 0.00 0.00 36.82 37.09 1q3k h ILE 249 CO -0.08 0.38 0.31 0.00 0.00 0.00 0.00 178.15 178.76 1q3k h ALA 250 N 0.92 0.68 -0.42 1.87 0.00 -0.99 0.15 119.26 121.46 1q3k h ALA 250 Ca 0.13 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.90 1q3k h ALA 250 Cb 0.53 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1q3k h ALA 250 CO 0.03 0.01 -0.29 -0.44 0.00 0.00 0.00 179.25 178.56 1q3k h ASP 251 N 0.61 0.96 -0.27 0.00 3.32 -1.13 -2.02 116.42 117.88 1q3k h ASP 251 Ca 0.22 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.89 1q3k h ASP 251 Cb 0.04 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1q3k h ASP 251 CO -0.11 1.18 0.14 0.00 -1.72 0.00 0.00 179.24 178.73 1q3k h ALA 252 N 0.88 0.33 -0.29 3.45 0.00 -0.32 -1.33 119.26 121.97 1q3k h ALA 252 Ca 0.09 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1q3k h ALA 252 Cb 0.86 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 1q3k h ALA 252 CO 0.08 -0.25 0.18 0.82 0.00 0.00 0.00 179.25 180.07 1q3k h ILE 253 N 0.29 1.09 -0.42 0.00 2.04 -0.44 -0.90 117.51 119.16 1q3k h ILE 253 Ca 0.11 -0.19 -0.11 0.00 1.00 0.00 0.00 64.86 65.67 1q3k h ILE 253 Cb 0.03 0.67 -0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1q3k h ILE 253 CO -0.08 0.09 -0.20 1.23 0.00 0.00 0.00 178.15 179.20 1q3k h GLY 254 N 0.43 0.89 0.67 5.37 0.00 -0.79 0.80 103.07 110.45 1q3k h GLY 254 Ca 0.11 -0.75 -0.00 0.00 0.00 0.00 0.00 47.33 46.69 1q3k h GLY 254 CO -0.02 0.68 -0.03 1.46 0.00 0.00 0.00 176.54 178.63 1q3k h GLN 255 N 0.72 -0.09 0.00 4.80 1.08 -0.09 -2.70 115.11 118.83 1q3k h GLN 255 Ca 0.10 0.01 -0.19 0.00 -1.45 0.00 0.00 58.65 57.12 1q3k h GLN 255 Cb 0.72 0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 28.15 1q3k h GLN 255 CO 0.06 0.24 -0.85 0.93 -0.95 0.00 0.00 178.83 178.25 1q3k h GLU 256 N -0.43 0.16 -2.19 1.46 4.39 -1.25 -3.36 114.58 113.36 1q3k h GLU 256 Ca -0.01 -0.17 -0.60 0.00 0.34 0.00 0.00 59.36 58.92 1q3k h GLU 256 Cb 0.37 0.05 -0.42 0.00 -0.10 0.00 0.00 28.75 28.65 1q3k h GLU 256 CO 0.02 0.91 -0.62 1.19 -1.16 0.00 0.00 179.01 179.35 1q3k n PHE 257 N -3.65 3.54 -1.94 4.33 0.99 0.28 -5.07 117.46 115.94 1q3k n PHE 257 Ca -0.03 -4.11 -0.42 0.00 -0.00 0.00 0.00 57.45 52.89 1q3k n PHE 257 Cb 0.79 -0.54 -0.03 0.00 -1.00 0.00 0.00 39.48 38.70 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 -2.57 4.21 0.25 -1.08 0.02 -1.02 -4.58 135.00 130.24 1q3k s PRO 258 Ca 0.41 2.34 -0.30 0.00 0.02 0.00 0.00 61.00 63.47 1q3k s PRO 258 Cb 0.17 -3.30 -0.14 0.00 0.02 0.00 0.00 34.50 31.25 1q3k s PRO 258 CO -0.03 -0.64 1.27 -2.30 -0.33 0.00 0.00 177.00 174.96 1q3k n PRO 259 N 4.50 1.75 0.00 5.54 -0.02 -1.26 -5.07 135.00 140.43 1q3k n PRO 259 Ca 0.14 0.62 0.13 0.00 -2.02 0.00 0.00 63.50 62.37 1q3k n PRO 259 Cb 0.39 -2.18 0.29 0.00 -0.02 0.00 0.00 33.50 31.98 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89