#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 0.82 -2.67 -1.46 4.76 -1.26 -4.93 118.16 113.42 1q3k n LYS 3 Ca 0.00 -1.67 -0.34 0.00 -2.87 0.00 0.00 58.31 53.43 1q3k n LYS 3 Cb 0.00 -3.08 -0.05 0.00 -1.84 0.00 0.00 35.03 30.05 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 6.44 6.73 0.00 4.39 0.15 -1.26 -4.95 113.70 125.21 1q3k s SER 4 Ca 0.67 1.85 0.26 0.00 0.70 0.00 0.00 55.95 59.42 1q3k s SER 4 Cb 0.09 -2.56 0.59 0.00 -1.71 0.00 0.00 66.02 62.43 1q3k s SER 4 CO 0.21 -0.50 1.46 1.33 1.20 0.00 0.00 173.24 176.94 1q3k n VAL 5 N -0.55 0.00 -3.20 4.45 0.24 -1.26 -4.85 118.33 113.16 1q3k n VAL 5 Ca 0.07 -0.19 -0.41 0.00 -2.04 0.00 0.00 64.34 61.77 1q3k n VAL 5 Cb 0.52 0.66 -0.07 0.00 -1.47 0.00 0.00 33.84 33.48 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 3.19 0.34 6.34 0.40 -1.26 0.44 117.98 125.02 1q3k s PHE 6 Ca 0.25 0.31 0.11 0.00 -0.60 0.00 0.00 56.93 56.99 1q3k s PHE 6 Cb 0.19 -2.95 0.90 0.00 0.51 0.00 0.00 43.02 41.67 1q3k s PHE 6 CO 0.50 -0.52 1.77 0.28 0.70 0.00 0.00 175.22 177.94 1q3k h VAL 7 N 5.59 0.61 0.00 -0.44 2.07 -1.23 0.02 116.25 122.87 1q3k h VAL 7 Ca -0.28 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.04 1q3k h VAL 7 Cb 1.12 -0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.85 1q3k h VAL 7 CO 0.78 0.11 0.00 1.23 0.02 0.00 0.00 177.57 179.71 1q3k h GLY 8 N 0.60 0.00 -2.18 2.17 0.00 -1.93 -2.07 103.07 99.66 1q3k h GLY 8 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.93 1q3k h GLY 8 CO -0.38 0.00 0.00 1.18 0.00 0.00 0.00 176.54 177.34 1q3k n GLU 9 N -2.78 2.43 -3.98 4.80 1.02 -0.01 -4.95 120.64 117.17 1q3k n GLU 9 Ca -0.01 -2.23 -0.21 0.00 -0.02 0.00 0.00 57.16 54.68 1q3k n GLU 9 Cb 0.12 -1.48 -0.04 0.00 -0.02 0.00 0.00 31.44 30.02 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 -1.40 3.80 0.57 -4.62 1.43 -0.78 -4.92 118.68 112.76 1q3k s LEU 10 Ca 0.37 -0.29 -0.07 0.00 -1.03 0.00 0.00 54.13 53.10 1q3k s LEU 10 Cb 0.21 -2.37 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1q3k s LEU 10 CO 0.30 -0.16 0.90 0.42 0.23 0.00 0.00 176.35 178.04 1q3k s THR 11 N -2.17 4.28 0.42 5.49 -4.23 -1.26 -4.93 115.64 113.23 1q3k s THR 11 Ca 0.36 0.28 0.12 0.00 -1.18 0.00 0.00 61.69 61.27 1q3k s THR 11 Cb -0.07 -3.68 0.18 0.00 1.34 0.00 0.00 72.50 70.27 1q3k s THR 11 CO 0.26 -0.75 1.96 4.11 -0.54 0.00 0.00 174.62 179.67 1q3k h TRP 12 N -0.11 0.15 -0.44 3.99 5.08 -1.99 -1.99 115.95 120.64 1q3k h TRP 12 Ca -0.46 -0.01 -0.13 0.00 1.08 0.00 0.00 58.89 59.37 1q3k h TRP 12 Cb 1.23 -0.04 -0.01 0.00 -3.00 0.00 0.00 29.16 27.33 1q3k h TRP 12 CO 0.55 0.27 -0.25 0.87 -1.28 0.00 0.00 178.44 178.60 1q3k h LYS 13 N 0.14 0.93 -0.35 0.12 1.79 -1.98 0.23 116.57 117.45 1q3k h LYS 13 Ca 0.03 -0.41 -0.05 0.00 -2.18 0.00 0.00 60.65 58.04 1q3k h LYS 13 Cb 0.31 -0.03 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1q3k h LYS 13 CO 0.02 1.07 0.02 0.93 -1.08 0.00 0.00 179.45 180.40 1q3k h GLU 14 N 0.79 0.60 -0.12 3.15 5.08 -1.83 -1.37 114.58 120.89 1q3k h GLU 14 Ca 0.10 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 1q3k h GLU 14 Cb 0.81 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.00 1q3k h GLU 14 CO 0.07 0.71 0.07 -0.92 -1.00 0.00 0.00 179.01 177.94 1q3k h TYR 15 N 0.42 0.16 -0.98 4.33 3.20 -1.22 -1.41 116.97 121.47 1q3k h TYR 15 Ca 0.10 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.08 1q3k h TYR 15 Cb 0.42 -0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.56 1q3k h TYR 15 CO 0.03 0.15 0.61 1.49 -1.64 0.00 0.00 178.16 178.80 1q3k h GLU 16 N 0.12 0.96 -0.24 1.82 4.81 -0.43 -1.51 114.58 120.11 1q3k h GLU 16 Ca 0.04 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1q3k h GLU 16 Cb 0.04 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 1q3k h GLU 16 CO -0.01 0.64 0.03 0.00 -0.73 0.00 0.00 179.01 178.94 1q3k h ALA 17 N 1.51 0.32 -0.53 2.92 0.00 -0.91 -1.07 119.26 121.50 1q3k h ALA 17 Ca 0.47 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.27 1q3k h ALA 17 Cb 0.42 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 1q3k h ALA 17 CO -0.25 0.02 0.17 0.00 0.00 0.00 0.00 179.25 179.18 1q3k h ARG 18 N 0.20 0.32 -0.20 0.00 2.47 -0.39 -1.22 114.38 115.57 1q3k h ARG 18 Ca 0.07 -0.02 -0.04 0.00 -1.26 0.00 0.00 59.98 58.73 1q3k h ARG 18 Cb 0.35 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.59 1q3k h ARG 18 CO 0.01 0.21 -0.04 0.28 0.56 0.00 0.00 179.97 180.99 1q3k h VAL 19 N 0.33 1.28 0.00 2.04 2.07 -1.23 -2.77 116.25 117.98 1q3k h VAL 19 Ca 0.26 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.77 1q3k h VAL 19 Cb 0.32 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.63 1q3k h VAL 19 CO -0.29 0.31 -0.01 0.00 0.02 0.00 0.00 177.57 177.60 1q3k h ALA 20 N 0.74 1.23 0.00 1.67 0.00 -0.81 -0.06 119.26 122.03 1q3k h ALA 20 Ca 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1q3k h ALA 20 Cb 0.48 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1q3k h ALA 20 CO 0.02 0.01 0.00 0.00 0.00 0.00 0.00 179.25 179.28 1q3k n ALA 21 N -2.19 1.62 0.00 0.00 0.00 -0.49 -4.97 120.51 114.47 1q3k n ALA 21 Ca -0.03 0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.46 1q3k n ALA 21 Cb 0.10 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.21 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 -0.10 0.20 3.91 0.00 0.00 -0.04 -4.93 105.19 104.23 1q3k n GLY 22 Ca 0.02 -1.63 -0.30 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.70 -0.67 -4.73 1.61 5.68 -1.26 -4.91 116.55 111.58 1q3k n ASP 23 Ca 0.00 -0.99 -0.41 0.00 -0.50 0.00 0.00 54.79 52.89 1q3k n ASP 23 Cb 0.00 -1.26 -0.04 0.00 -1.14 0.00 0.00 41.12 38.68 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 0.05 4.67 0.02 0.00 1.01 -1.26 -4.26 120.40 120.63 1q3k s VAL 25 Ca 0.48 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 62.39 1q3k s VAL 25 Cb -0.24 -3.11 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1q3k s VAL 25 CO 0.30 0.45 0.08 -0.76 0.00 0.00 0.00 175.10 175.18 1q3k s LEU 26 N 0.47 3.87 -0.08 3.92 2.01 -0.62 -1.11 118.68 127.14 1q3k s LEU 26 Ca 0.02 0.10 0.01 0.00 0.01 0.00 0.00 54.13 54.28 1q3k s LEU 26 Cb -0.13 -2.33 0.02 0.00 0.01 0.00 0.00 46.19 43.76 1q3k s LEU 26 CO 0.01 0.24 -0.11 -0.04 1.01 0.00 0.00 176.35 177.46 1q3k s MET 27 N -1.91 1.67 -0.28 1.70 -1.94 0.11 -0.40 119.30 118.25 1q3k s MET 27 Ca 0.25 -0.37 0.01 0.00 -1.71 0.00 0.00 55.69 53.86 1q3k s MET 27 Cb -0.12 -1.48 0.05 0.00 2.01 0.00 0.00 34.83 35.29 1q3k s MET 27 CO 0.16 -0.07 -0.06 -1.17 -0.01 0.00 0.00 175.02 173.87 1q3k s LEU 28 N 0.99 3.62 0.14 -0.03 2.96 -0.00 -0.09 118.68 126.27 1q3k s LEU 28 Ca -0.08 -1.32 -0.30 0.00 -0.22 0.00 0.00 54.13 52.21 1q3k s LEU 28 Cb -0.15 -1.62 -0.07 0.00 0.50 0.00 0.00 46.19 44.85 1q3k s LEU 28 CO -0.00 -0.22 1.19 -2.84 -1.32 0.00 0.00 176.35 173.17 1q3k s PRO 29 N 1.18 4.48 -0.21 0.98 0.02 -1.26 -1.00 135.00 139.18 1q3k s PRO 29 Ca -0.07 1.83 0.01 0.00 0.02 0.00 0.00 61.00 62.79 1q3k s PRO 29 Cb -0.20 -3.28 0.05 0.00 0.02 0.00 0.00 34.50 31.10 1q3k s PRO 29 CO -0.03 -0.14 -0.07 0.08 -0.33 0.00 0.00 177.00 176.51 1q3k s VAL 30 N 0.32 1.55 0.00 3.83 1.01 -0.19 -0.35 120.40 126.57 1q3k s VAL 30 Ca 0.55 -1.09 0.00 0.00 0.00 0.00 0.00 61.98 61.43 1q3k s VAL 30 Cb -0.31 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.33 1q3k s VAL 30 CO 0.34 0.03 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1q3k n GLY 31 N 4.69 4.72 3.60 4.51 0.00 0.03 -0.91 105.19 121.82 1q3k n GLY 31 Ca -0.13 -1.11 -0.04 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.04 -0.34 4.61 0.00 -1.17 -2.93 121.76 117.88 1q3k s ALA 32 Ca 0.00 1.20 -0.05 0.00 0.00 0.00 0.00 51.96 53.12 1q3k s ALA 32 Cb 0.00 0.13 0.06 0.00 0.00 0.00 0.00 23.12 23.30 1q3k s ALA 32 CO 0.00 -0.74 0.10 -1.17 0.00 0.00 0.00 175.76 173.95 1q3k s LEU 33 N -2.46 4.40 -0.12 0.00 2.96 -0.98 -4.10 118.68 118.39 1q3k s LEU 33 Ca 0.10 -1.33 -0.12 0.00 -0.22 0.00 0.00 54.13 52.55 1q3k s LEU 33 Cb 0.00 -1.83 0.03 0.00 0.50 0.00 0.00 46.19 44.90 1q3k s LEU 33 CO -0.05 -0.36 0.34 -0.70 -1.32 0.00 0.00 176.35 174.27 1q3k s GLU 34 N 1.33 0.43 0.28 1.98 2.12 -0.35 -1.12 118.70 123.37 1q3k s GLU 34 Ca -0.01 0.40 -0.30 0.00 0.36 0.00 0.00 54.97 55.43 1q3k s GLU 34 Cb -0.20 0.21 -0.13 0.00 0.26 0.00 0.00 34.13 34.26 1q3k s GLU 34 CO 0.01 -0.06 1.32 0.00 -0.54 0.00 0.00 175.26 175.99 1q3k n GLN 35 N 2.71 1.98 -2.57 4.30 -0.00 -1.26 -4.35 117.38 118.19 1q3k n GLN 35 Ca -0.14 0.70 -0.16 0.00 -0.00 0.00 0.00 57.00 57.40 1q3k n GLN 35 Cb 0.57 -2.30 0.02 0.00 -0.00 0.00 0.00 30.24 28.53 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 1.20 2.13 -3.95 2.61 8.25 -1.26 -4.97 115.22 119.23 1q3k n HIS 36 Ca 0.09 -2.88 0.00 0.00 -0.26 0.00 0.00 57.72 54.68 1q3k n HIS 36 Cb 0.33 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.19 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 -0.28 -2.09 0.14 -1.41 0.00 -1.25 -3.63 105.19 96.67 1q3k n GLY 37 Ca 0.22 -1.44 0.12 0.00 0.00 0.00 0.00 46.02 44.93 1q3k n GLY 37 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1q3k h HIS 38 N 0.00 0.00 0.00 1.61 3.86 -1.84 -3.38 115.15 115.41 1q3k h HIS 38 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1q3k h HIS 38 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1q3k h HIS 38 CO 0.00 0.00 -1.09 -2.39 0.86 0.00 0.00 177.93 175.31 1q3k n HIS 39 N -2.67 0.00 -4.40 2.45 1.44 -1.26 -4.82 115.22 105.96 1q3k n HIS 39 Ca 0.03 0.00 -0.20 0.00 -2.01 0.00 0.00 57.72 55.54 1q3k n HIS 39 Cb 0.51 -0.07 -0.10 0.00 0.12 0.00 0.00 29.99 30.45 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 -3.06 1.48 0.95 -1.40 1.00 -1.24 -1.07 119.30 115.96 1q3k s MET 40 Ca 0.06 -1.73 -0.15 0.00 0.00 0.00 0.00 55.69 53.88 1q3k s MET 40 Cb 0.16 -1.14 0.17 0.00 0.00 0.00 0.00 34.83 34.02 1q3k s MET 40 CO 0.87 0.08 1.23 0.00 0.00 0.00 0.00 175.02 177.20 1q3k n MET 42 N -3.79 1.18 -0.22 0.00 0.00 -1.26 -4.20 117.12 108.82 1q3k n MET 42 Ca 0.12 -0.85 0.11 0.00 0.00 0.00 0.00 57.70 57.07 1q3k n MET 42 Cb 0.60 -1.48 0.27 0.00 0.00 0.00 0.00 33.22 32.60 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 -0.17 3.03 -0.32 7.83 0.23 -1.26 -1.21 115.26 123.40 1q3k n ASN 43 Ca 0.12 -1.95 -0.00 0.00 -0.53 0.00 0.00 54.58 52.22 1q3k n ASN 43 Cb 0.42 -0.29 0.04 0.00 -2.08 0.00 0.00 39.78 37.87 1q3k n ASN 43 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1q3k n VAL 44 N 1.18 -0.43 0.24 3.53 0.31 -1.26 -0.32 118.33 121.58 1q3k n VAL 44 Ca 0.19 1.96 0.10 0.00 -0.01 0.00 0.00 64.34 66.57 1q3k n VAL 44 Cb 0.51 -2.60 0.47 0.00 -0.91 0.00 0.00 33.84 31.32 1q3k n VAL 44 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1q3k n ASP 45 N -5.25 0.50 -0.12 4.52 9.92 -1.26 -1.18 116.55 123.68 1q3k n ASP 45 Ca 0.09 0.69 -0.26 0.00 -0.53 0.00 0.00 54.79 54.78 1q3k n ASP 45 Cb 0.34 -0.77 -0.11 0.00 -0.64 0.00 0.00 41.12 39.95 1q3k n ASP 45 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1q3k n VAL 46 N -2.12 1.54 -0.13 2.53 0.31 0.56 -4.05 118.33 116.97 1q3k n VAL 46 Ca 0.00 -0.25 -0.07 0.00 -0.01 0.00 0.00 64.34 64.02 1q3k n VAL 46 Cb 0.10 -1.93 0.02 0.00 -0.91 0.00 0.00 33.84 31.12 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 -0.92 0.37 0.91 7.52 3.38 -0.98 -1.83 115.31 123.76 1q3k h LEU 47 Ca -0.54 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.40 1q3k h LEU 47 Cb 1.51 -0.07 0.01 0.00 0.09 0.00 0.00 40.66 42.20 1q3k h LEU 47 CO -0.30 0.27 -0.44 -0.07 0.09 0.00 0.00 178.44 177.99 1q3k h LEU 48 N 0.48 -1.03 -1.92 1.67 3.38 -1.39 -1.48 115.31 115.01 1q3k h LEU 48 Ca 0.17 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.15 1q3k h LEU 48 Cb 0.03 0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 1q3k h LEU 48 CO -0.09 -0.73 -0.12 1.55 0.09 0.00 0.00 178.44 179.13 1q3k h PRO 49 N -1.22 0.00 -0.21 1.13 0.13 -1.76 -1.54 132.00 128.54 1q3k h PRO 49 Ca -0.12 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.87 1q3k h PRO 49 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 1q3k h PRO 49 CO 0.20 0.12 -0.38 1.15 -0.23 0.00 0.00 178.00 178.86 1q3k h THR 50 N 0.00 1.33 -0.68 1.56 2.02 -1.22 -0.95 112.91 114.96 1q3k h THR 50 Ca -0.00 -1.61 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 1q3k h THR 50 Cb 0.29 1.84 -0.03 0.00 -1.74 0.00 0.00 68.15 68.51 1q3k h THR 50 CO 0.02 0.50 0.33 0.00 0.37 0.00 0.00 175.52 176.73 1q3k h ALA 51 N 0.61 0.88 -0.54 6.16 0.00 -0.80 0.09 119.26 125.66 1q3k h ALA 51 Ca 0.01 -0.14 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 1q3k h ALA 51 Cb 0.98 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 1q3k h ALA 51 CO 0.09 0.44 -0.04 0.28 0.00 0.00 0.00 179.25 180.02 1q3k h VAL 52 N 0.95 1.27 -0.43 0.00 2.07 -1.27 -2.50 116.25 116.33 1q3k h VAL 52 Ca 0.23 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.55 1q3k h VAL 52 Cb 0.12 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1q3k h VAL 52 CO -0.03 0.42 0.13 0.00 0.02 0.00 0.00 177.57 178.11 1q3k h GLN 54 N 0.55 0.06 -0.30 0.00 4.15 -0.82 0.14 115.11 118.89 1q3k h GLN 54 Ca 0.14 -0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.43 1q3k h GLN 54 Cb 0.27 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.93 1q3k h GLN 54 CO -0.00 0.04 -0.33 0.00 -1.93 0.00 0.00 178.83 176.60 1q3k h ARG 55 N 0.06 0.65 -0.38 1.69 3.08 -1.33 -1.19 114.38 116.97 1q3k h ARG 55 Ca 0.14 -0.30 -0.07 0.00 0.07 0.00 0.00 59.98 59.83 1q3k h ARG 55 Cb 0.20 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1q3k h ARG 55 CO -0.26 0.89 -0.03 0.28 -1.07 0.00 0.00 179.97 179.78 1q3k h VAL 56 N 0.55 1.27 -0.92 2.04 2.07 -1.05 -1.70 116.25 118.50 1q3k h VAL 56 Ca 0.06 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.52 1q3k h VAL 56 Cb 0.84 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1q3k h VAL 56 CO 0.07 0.35 0.53 0.00 0.02 0.00 0.00 177.57 178.55 1q3k h ALA 57 N 0.86 1.21 -0.68 1.67 0.00 -0.53 0.37 119.26 122.15 1q3k h ALA 57 Ca 0.10 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1q3k h ALA 57 Cb 0.51 -0.37 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 1q3k h ALA 57 CO 0.03 0.66 0.35 0.93 0.00 0.00 0.00 179.25 181.21 1q3k h GLU 58 N 1.28 0.97 -0.29 0.00 5.08 -1.00 0.43 114.58 121.05 1q3k h GLU 58 Ca 0.33 -0.13 -0.14 0.00 -1.00 0.00 0.00 59.36 58.41 1q3k h GLU 58 Cb -0.02 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 1q3k h GLU 58 CO -0.06 0.75 -0.40 0.00 -1.00 0.00 0.00 179.01 178.30 1q3k h ARG 59 N 0.94 0.69 -0.02 2.33 2.47 -0.33 -3.31 114.38 117.16 1q3k h ARG 59 Ca 0.24 -0.36 0.00 0.00 -1.26 0.00 0.00 59.98 58.60 1q3k h ARG 59 Cb 0.08 0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.41 1q3k h ARG 59 CO -0.03 0.97 0.00 0.44 0.56 0.00 0.00 179.97 181.91 1q3k n ILE 60 N -4.04 0.01 -2.74 2.04 -5.35 0.02 -5.01 119.36 104.29 1q3k n ILE 60 Ca -0.02 -0.50 -0.07 0.00 -0.27 0.00 0.00 62.75 61.89 1q3k n ILE 60 Cb 0.53 1.26 0.02 0.00 -1.74 0.00 0.00 39.64 39.71 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 0.71 0.45 3.91 3.28 0.00 0.14 -5.03 105.19 108.64 1q3k n GLY 61 Ca 0.07 -0.38 -0.22 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.10 4.28 0.04 4.61 0.00 -0.56 -4.75 121.76 122.28 1q3k s ALA 62 Ca 0.14 -1.73 0.08 0.00 0.00 0.00 0.00 51.96 50.45 1q3k s ALA 62 Cb -0.06 -0.99 -0.03 0.00 0.00 0.00 0.00 23.12 22.04 1q3k s ALA 62 CO 0.21 -0.39 -0.22 -0.51 0.00 0.00 0.00 175.76 174.86 1q3k s LEU 63 N -4.26 2.38 -0.15 0.00 1.43 -0.27 -4.67 118.68 113.15 1q3k s LEU 63 Ca 0.46 -0.51 -0.02 0.00 -1.03 0.00 0.00 54.13 53.03 1q3k s LEU 63 Cb -0.03 -1.40 -0.02 0.00 0.03 0.00 0.00 46.19 44.77 1q3k s LEU 63 CO 0.27 0.26 -0.09 -0.69 0.23 0.00 0.00 176.35 176.34 1q3k s VAL 64 N -0.86 3.39 0.52 -1.59 1.01 0.17 0.07 120.40 123.11 1q3k s VAL 64 Ca 0.13 -0.53 -0.08 0.00 0.00 0.00 0.00 61.98 61.50 1q3k s VAL 64 Cb -0.10 -2.46 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1q3k s VAL 64 CO 0.03 0.50 0.87 -0.76 0.00 0.00 0.00 175.10 175.75 1q3k s LEU 65 N 0.52 3.51 0.21 3.92 1.43 0.87 -0.68 118.68 128.45 1q3k s LEU 65 Ca -0.06 1.14 -0.32 0.00 -1.03 0.00 0.00 54.13 53.85 1q3k s LEU 65 Cb -0.15 -4.12 -0.13 0.00 0.03 0.00 0.00 46.19 41.82 1q3k s LEU 65 CO 0.03 -0.66 1.61 -2.65 0.23 0.00 0.00 176.35 174.91 1q3k n PRO 66 N -2.31 2.43 -2.53 1.29 -0.02 -1.26 -4.51 135.00 128.09 1q3k n PRO 66 Ca 0.03 0.87 -0.36 0.00 -2.02 0.00 0.00 63.50 62.02 1q3k n PRO 66 Cb 0.55 -2.66 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 1q3k n PRO 66 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1q3k s GLY 67 N 0.87 2.65 -0.25 -1.23 0.00 -1.26 -4.73 107.32 103.36 1q3k s GLY 67 Ca 0.74 0.68 -0.29 0.00 0.00 0.00 0.00 44.72 45.85 1q3k s GLY 67 CO 0.39 1.07 1.52 1.08 0.00 0.00 0.00 173.10 177.15 1q3k s LEU 68 N -2.99 3.87 0.15 0.66 1.43 0.53 -4.87 118.68 117.45 1q3k s LEU 68 Ca 0.62 1.46 0.06 0.00 -1.03 0.00 0.00 54.13 55.24 1q3k s LEU 68 Cb -0.20 -3.53 -0.09 0.00 0.03 0.00 0.00 46.19 42.39 1q3k s LEU 68 CO 0.25 -1.22 1.34 1.56 0.23 0.00 0.00 176.35 178.51 1q3k h GLN 69 N 10.33 0.05 -5.73 1.70 1.08 -1.88 0.13 115.11 120.79 1q3k h GLN 69 Ca -0.31 -0.07 -0.67 0.00 -1.45 0.00 0.00 58.65 56.15 1q3k h GLN 69 Cb 1.13 0.02 -0.23 0.00 -0.05 0.00 0.00 27.48 28.36 1q3k h GLN 69 CO 1.01 0.95 -0.72 0.71 -0.95 0.00 0.00 178.83 179.83 1q3k s TYR 70 N -2.93 2.87 0.21 2.96 1.51 -1.26 -2.31 117.35 118.40 1q3k s TYR 70 Ca -0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 57.07 55.77 1q3k s TYR 70 Cb 0.10 -1.79 -0.00 0.00 -0.11 0.00 0.00 41.96 40.16 1q3k s TYR 70 CO 0.82 0.05 0.00 0.41 -1.11 0.00 0.00 175.55 175.73 1q3k n GLY 71 N 2.93 3.92 3.73 0.71 0.00 -1.15 -4.74 105.19 110.59 1q3k n GLY 71 Ca -0.18 -2.26 -0.32 0.00 0.00 0.00 0.00 46.02 43.26 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 -1.81 2.15 0.15 1.61 5.04 -1.26 -0.72 117.35 122.51 1q3k s TYR 72 Ca 0.01 1.64 -0.34 0.00 -2.44 0.00 0.00 57.07 55.94 1q3k s TYR 72 Cb 0.00 -3.26 -0.15 0.00 0.35 0.00 0.00 41.96 38.90 1q3k s TYR 72 CO 0.00 -2.30 1.36 1.63 -1.34 0.00 0.00 175.55 174.90 1q3k n LYS 73 N -3.41 1.53 -1.95 4.97 5.02 -1.24 -4.70 118.16 118.38 1q3k n LYS 73 Ca 0.11 0.55 -0.42 0.00 -2.02 0.00 0.00 58.31 56.53 1q3k n LYS 73 Cb 0.52 -2.18 -0.02 0.00 -0.02 0.00 0.00 35.03 33.32 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 0.41 6.59 0.03 4.39 0.15 -1.26 -4.88 113.70 119.12 1q3k s SER 74 Ca 0.77 2.71 -0.03 0.00 0.70 0.00 0.00 55.95 60.10 1q3k s SER 74 Cb -0.81 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 60.84 1q3k s SER 74 CO 0.47 -0.77 0.23 -1.10 1.20 0.00 0.00 173.24 173.26 1q3k s GLN 75 N -0.04 3.48 0.16 5.44 -1.52 -1.26 -2.37 119.66 123.55 1q3k s GLN 75 Ca 0.63 -0.28 -0.16 0.00 -1.95 0.00 0.00 55.36 53.59 1q3k s GLN 75 Cb -0.43 -3.05 0.10 0.00 -0.22 0.00 0.00 33.01 29.40 1q3k s GLN 75 CO 0.41 0.63 1.69 0.37 -0.25 0.00 0.00 175.29 178.15 1q3k h GLN 76 N 3.54 0.07 -0.00 2.91 4.15 -1.91 0.34 115.11 124.20 1q3k h GLN 76 Ca -0.48 -0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.94 1q3k h GLN 76 Cb 1.18 -0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.85 1q3k h GLN 76 CO 0.71 0.05 0.00 1.63 -1.93 0.00 0.00 178.83 179.29 1q3k n LYS 77 N -5.22 1.04 0.00 1.69 5.02 -1.26 -2.31 118.16 117.12 1q3k n LYS 77 Ca 0.02 -0.07 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 1q3k n LYS 77 Cb 0.20 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.77 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 -0.87 0.40 0.00 4.39 3.41 -0.93 -4.48 113.62 115.55 1q3k n SER 78 Ca 0.21 -0.07 0.00 0.00 -0.26 0.00 0.00 58.87 58.75 1q3k n SER 78 Cb 0.11 0.23 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 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 0.35 -0.29 0.80 5.00 0.00 0.11 -4.60 105.19 106.56 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 2.91 0.00 -0.02 0.00 -0.42 -4.79 105.19 102.86 1q3k n GLY 80 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.05 3.07 0.73 -0.02 0.00 -1.12 -4.41 105.19 103.39 1q3k n GLY 81 Ca 0.00 -1.87 0.03 0.00 0.00 0.00 0.00 46.02 44.19 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 2.01 0.04 1.61 2.85 -1.00 -3.34 115.26 117.44 1q3k n ASN 82 Ca 0.00 -2.15 0.12 0.00 -0.11 0.00 0.00 54.58 52.43 1q3k n ASN 82 Cb 0.00 -0.36 0.13 0.00 1.24 0.00 0.00 39.78 40.79 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 0.25 0.40 -2.20 1.20 1.44 -1.26 -4.90 115.22 110.15 1q3k n HIS 83 Ca 0.09 0.12 -0.40 0.00 -2.01 0.00 0.00 57.72 55.51 1q3k n HIS 83 Cb 0.39 -0.54 -0.03 0.00 0.12 0.00 0.00 29.99 29.94 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 -3.16 3.16 0.84 -1.40 0.40 -1.21 -5.01 117.98 111.60 1q3k s PHE 84 Ca 0.06 1.48 -0.11 0.00 -0.60 0.00 0.00 56.93 57.77 1q3k s PHE 84 Cb 0.14 -3.58 0.10 0.00 0.51 0.00 0.00 43.02 40.19 1q3k s PHE 84 CO 0.75 -1.55 1.10 -2.14 0.70 0.00 0.00 175.22 174.07 1q3k s PRO 85 N -1.75 1.66 0.00 0.24 0.02 -1.26 -3.76 135.00 130.15 1q3k s PRO 85 Ca 0.48 1.15 0.00 0.00 0.02 0.00 0.00 61.00 62.65 1q3k s PRO 85 Cb -0.38 -1.83 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1q3k s PRO 85 CO 0.50 -2.05 0.00 0.41 -0.33 0.00 0.00 177.00 175.52 1q3k n GLY 86 N -0.85 1.63 3.71 0.52 0.00 -1.26 -4.59 105.19 104.35 1q3k n GLY 86 Ca 0.09 -0.07 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 2.70 -0.26 2.61 -1.32 -1.25 -4.66 115.64 113.46 1q3k s THR 87 Ca 0.00 0.37 0.01 0.00 -1.21 0.00 0.00 61.69 60.86 1q3k s THR 87 Cb 0.00 -3.24 0.07 0.00 -1.51 0.00 0.00 72.50 67.82 1q3k s THR 87 CO 0.00 0.02 -0.01 -0.89 -2.21 0.00 0.00 174.62 171.53 1q3k s THR 88 N 1.85 1.48 0.17 5.08 2.01 -0.28 -4.94 115.64 121.01 1q3k s THR 88 Ca 0.73 -1.39 0.07 0.00 0.31 0.00 0.00 61.69 61.41 1q3k s THR 88 Cb -0.43 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 70.17 1q3k s THR 88 CO 0.32 -0.28 0.01 -0.44 -0.69 0.00 0.00 174.62 173.54 1q3k s SER 89 N 1.38 4.86 0.20 3.53 0.01 -1.26 -4.30 113.70 118.11 1q3k s SER 89 Ca -0.00 -0.36 0.02 0.00 1.31 0.00 0.00 55.95 56.92 1q3k s SER 89 Cb -0.19 -1.07 -0.04 0.00 0.21 0.00 0.00 66.02 64.94 1q3k s SER 89 CO -0.10 0.09 0.36 -0.76 0.41 0.00 0.00 173.24 173.24 1q3k s LEU 90 N -2.92 4.27 0.68 2.44 1.43 0.10 -4.88 118.68 119.80 1q3k s LEU 90 Ca 0.28 0.25 -0.12 0.00 -1.03 0.00 0.00 54.13 53.51 1q3k s LEU 90 Cb -0.09 -3.02 0.01 0.00 0.03 0.00 0.00 46.19 43.11 1q3k s LEU 90 CO 0.19 -0.03 1.07 -1.81 0.23 0.00 0.00 176.35 176.00 1q3k s ASP 91 N -3.42 5.26 0.23 2.29 1.01 -1.26 -3.67 116.67 117.11 1q3k s ASP 91 Ca 0.36 1.75 -0.07 0.00 0.71 0.00 0.00 52.55 55.30 1q3k s ASP 91 Cb -0.11 -2.52 0.27 0.00 1.01 0.00 0.00 42.92 41.58 1q3k s ASP 91 CO 0.29 -1.52 1.85 1.23 0.21 0.00 0.00 175.17 177.23 1q3k h GLY 92 N -0.43 1.18 1.75 0.21 0.00 -1.98 -2.36 103.07 101.44 1q3k h GLY 92 Ca -0.45 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 46.47 1q3k h GLY 92 CO 0.55 0.28 -0.07 0.00 0.00 0.00 0.00 176.54 177.30 1q3k h ALA 93 N 1.36 1.51 -0.36 3.60 0.00 -1.99 -1.13 119.26 122.25 1q3k h ALA 93 Ca 0.34 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 1q3k h ALA 93 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1q3k h ALA 93 CO -0.15 0.35 -0.07 1.15 0.00 0.00 0.00 179.25 180.54 1q3k h THR 94 N 0.30 1.27 -0.07 0.00 2.02 -1.80 0.53 112.91 115.16 1q3k h THR 94 Ca 0.07 -1.13 -0.04 0.00 0.77 0.00 0.00 66.41 66.08 1q3k h THR 94 Cb 0.32 1.26 -0.00 0.00 -1.74 0.00 0.00 68.15 67.99 1q3k h THR 94 CO 0.01 0.37 -0.11 0.25 0.37 0.00 0.00 175.52 176.42 1q3k h LEU 95 N 0.49 0.22 -0.67 2.58 5.85 -1.28 -1.91 115.31 120.59 1q3k h LEU 95 Ca 0.09 -0.54 0.09 0.00 0.84 0.00 0.00 57.88 58.36 1q3k h LEU 95 Cb 0.57 -0.06 -0.07 0.00 0.37 0.00 0.00 40.66 41.47 1q3k h LEU 95 CO 0.03 0.72 0.32 0.74 -0.34 0.00 0.00 178.44 179.90 1q3k h THR 96 N -0.27 0.84 -0.03 1.05 2.02 -1.18 -2.28 112.91 113.06 1q3k h THR 96 Ca 0.01 -0.19 -0.07 0.00 0.77 0.00 0.00 66.41 66.93 1q3k h THR 96 Cb 0.67 0.24 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1q3k h THR 96 CO 0.03 0.10 -0.30 1.23 0.37 0.00 0.00 175.52 176.95 1q3k h GLY 97 N 0.55 0.07 0.69 2.16 0.00 -0.73 -0.97 103.07 104.84 1q3k h GLY 97 Ca 0.33 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.59 1q3k h GLY 97 CO -0.27 0.05 -0.02 -0.84 0.00 0.00 0.00 176.54 175.46 1q3k h THR 98 N 0.06 1.30 -0.08 4.70 2.02 -0.82 -0.25 112.91 119.83 1q3k h THR 98 Ca 0.01 -0.96 -0.00 0.00 0.77 0.00 0.00 66.41 66.22 1q3k h THR 98 Cb 0.55 1.78 -0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1q3k h THR 98 CO 0.04 0.27 0.05 0.58 0.37 0.00 0.00 175.52 176.82 1q3k h VAL 99 N -0.18 1.06 -0.68 3.16 2.07 -1.20 -2.29 116.25 118.19 1q3k h VAL 99 Ca 0.02 -0.16 0.05 0.00 0.82 0.00 0.00 66.70 67.43 1q3k h VAL 99 Cb 0.44 1.03 -0.05 0.00 -1.52 0.00 0.00 31.29 31.18 1q3k h VAL 99 CO 0.01 0.05 0.39 -0.61 0.02 0.00 0.00 177.57 177.43 1q3k h GLN 100 N 0.06 0.71 -0.43 1.57 4.15 -1.13 -1.46 115.11 118.58 1q3k h GLN 100 Ca 0.03 -0.04 -0.02 0.00 0.77 0.00 0.00 58.65 59.38 1q3k h GLN 100 Cb 0.05 -0.16 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 1q3k h GLN 100 CO -0.00 0.47 0.17 -0.44 -1.93 0.00 0.00 178.83 177.10 1q3k h ASP 101 N 0.73 0.60 -0.30 -0.69 3.32 -0.91 -1.70 116.42 117.47 1q3k h ASP 101 Ca 0.30 -0.17 -0.02 0.00 0.02 0.00 0.00 57.03 57.16 1q3k h ASP 101 Cb 0.15 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 1q3k h ASP 101 CO -0.17 0.60 0.13 0.40 -1.72 0.00 0.00 179.24 178.48 1q3k h ILE 102 N 0.56 1.17 -0.68 0.35 2.04 -1.07 -1.45 117.51 118.44 1q3k h ILE 102 Ca 0.14 -0.52 0.01 0.00 1.00 0.00 0.00 64.86 65.49 1q3k h ILE 102 Cb 0.19 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 1q3k h ILE 102 CO -0.01 0.18 0.44 0.40 0.00 0.00 0.00 178.15 179.16 1q3k h ILE 103 N 0.34 1.15 -0.40 -0.67 2.04 -1.17 -0.42 117.51 118.39 1q3k h ILE 103 Ca 0.10 -0.31 0.02 0.00 1.00 0.00 0.00 64.86 65.68 1q3k h ILE 103 Cb 0.17 0.18 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 1q3k h ILE 103 CO -0.01 0.16 0.22 -0.09 0.00 0.00 0.00 178.15 178.44 1q3k h ARG 104 N 0.89 0.44 -0.52 2.37 2.43 -1.09 -0.85 114.38 118.06 1q3k h ARG 104 Ca 0.25 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.36 1q3k h ARG 104 Cb -0.07 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 29.35 1q3k h ARG 104 CO -0.07 0.29 0.17 0.93 -1.51 0.00 0.00 179.97 179.78 1q3k h GLU 105 N 0.45 0.80 -1.00 0.20 4.39 -0.86 -2.36 114.58 116.20 1q3k h GLU 105 Ca 0.16 -0.17 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1q3k h GLU 105 Cb 0.03 -0.12 -0.05 0.00 -0.10 0.00 0.00 28.75 28.50 1q3k h GLU 105 CO -0.09 0.73 0.66 -0.07 -1.16 0.00 0.00 179.01 179.08 1q3k h LEU 106 N 0.70 1.11 -1.21 1.33 3.38 -0.79 -0.60 115.31 119.24 1q3k h LEU 106 Ca 0.17 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.08 1q3k h LEU 106 Cb 0.26 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1q3k h LEU 106 CO -0.01 0.77 0.14 0.00 0.09 0.00 0.00 178.44 179.44 1q3k h ALA 107 N 1.40 1.37 -0.46 1.53 0.00 -0.96 -1.29 119.26 120.85 1q3k h ALA 107 Ca 0.39 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 55.05 1q3k h ALA 107 Cb -0.05 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1q3k h ALA 107 CO -0.11 0.46 -0.05 -0.09 0.00 0.00 0.00 179.25 179.46 1q3k h ARG 108 N 0.68 0.80 0.00 0.00 2.43 -0.63 -2.28 114.38 115.37 1q3k h ARG 108 Ca 0.16 -0.24 -0.04 0.00 -0.81 0.00 0.00 59.98 59.05 1q3k h ARG 108 Cb 0.21 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1q3k h ARG 108 CO -0.01 0.84 -0.19 0.45 -1.51 0.00 0.00 179.97 179.55 1q3k h HIS 109 N 0.73 0.00 0.00 2.20 3.86 -0.39 -3.46 115.15 118.09 1q3k h HIS 109 Ca 0.13 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1q3k h HIS 109 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1q3k h HIS 109 CO 0.03 0.19 0.00 0.41 0.86 0.00 0.00 177.93 179.42 1q3k n GLY 110 N -0.78 0.84 3.76 2.45 0.00 -0.86 -4.97 105.19 105.63 1q3k n GLY 110 Ca -0.02 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.65 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 2.90 0.00 1.61 1.01 -0.56 -4.92 120.40 118.43 1q3k s VAL 111 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.51 1q3k s VAL 111 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1q3k s VAL 111 CO 0.00 -0.15 0.34 0.54 0.00 0.00 0.00 175.10 175.83 1q3k n ARG 112 N -1.68 0.00 -3.73 2.72 5.12 -1.26 -4.11 116.66 113.72 1q3k n ARG 112 Ca 0.12 -0.34 -0.25 0.00 -1.93 0.00 0.00 57.85 55.46 1q3k n ARG 112 Cb 0.50 -0.48 -0.17 0.00 -1.16 0.00 0.00 32.46 31.16 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 0.00 0.47 -0.02 5.56 0.52 -1.26 -0.73 118.95 123.49 1q3k s ARG 113 Ca 0.00 -0.06 0.02 0.00 -0.52 0.00 0.00 55.73 55.17 1q3k s ARG 113 Cb 0.00 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.07 1q3k s ARG 113 CO 0.00 -0.47 -0.06 -1.17 0.02 0.00 0.00 175.30 173.63 1q3k s LEU 114 N 1.98 1.71 -0.17 2.53 2.96 -0.79 -1.59 118.68 125.32 1q3k s LEU 114 Ca 0.03 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 53.81 1q3k s LEU 114 Cb -0.14 -0.39 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1q3k s LEU 114 CO -0.06 0.02 -0.15 -0.69 -1.32 0.00 0.00 176.35 174.15 1q3k s VAL 115 N 0.32 2.60 -0.27 1.68 1.01 0.46 -1.06 120.40 125.13 1q3k s VAL 115 Ca -0.04 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.06 1q3k s VAL 115 Cb -0.08 -2.11 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 1q3k s VAL 115 CO -0.00 0.51 0.16 -0.76 0.00 0.00 0.00 175.10 175.01 1q3k s LEU 116 N 1.00 3.93 -0.34 3.92 1.43 0.99 -0.82 118.68 128.77 1q3k s LEU 116 Ca -0.02 -0.03 -0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1q3k s LEU 116 Cb -0.15 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.07 1q3k s LEU 116 CO -0.03 -0.03 0.08 -0.32 0.23 0.00 0.00 176.35 176.27 1q3k s MET 117 N 1.63 2.17 0.11 1.70 1.75 -0.17 -1.51 119.30 124.98 1q3k s MET 117 Ca 0.07 -1.53 -0.26 0.00 -1.25 0.00 0.00 55.69 52.71 1q3k s MET 117 Cb -0.15 -3.32 -0.07 0.00 2.84 0.00 0.00 34.83 34.13 1q3k s MET 117 CO 0.09 -0.81 0.82 1.21 -0.65 0.00 0.00 175.02 175.67 1q3k s ASN 118 N 1.42 7.35 0.00 1.11 3.04 0.33 -1.02 114.94 127.17 1q3k s ASN 118 Ca 0.01 1.61 0.01 0.00 0.04 0.00 0.00 52.86 54.54 1q3k s ASN 118 Cb -0.21 -2.51 0.01 0.00 -1.54 0.00 0.00 41.25 37.00 1q3k s ASN 118 CO -0.03 0.07 0.47 0.61 -3.04 0.00 0.00 177.10 175.18 1q3k n GLY 119 N 2.05 -1.08 2.97 1.21 0.00 -0.09 -3.20 105.19 107.04 1q3k n GLY 119 Ca -0.03 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.23 2.49 0.24 1.61 5.65 -1.25 -4.65 115.29 119.16 1q3k s HIS 120 Ca 0.01 -1.77 -0.13 0.00 0.25 0.00 0.00 55.06 53.43 1q3k s HIS 120 Cb 0.01 -1.63 0.32 0.00 -1.18 0.00 0.00 32.58 30.10 1q3k s HIS 120 CO 0.02 -0.78 1.58 -0.92 -0.65 0.00 0.00 174.74 173.99 1q3k h TYR 121 N 7.94 -0.64 0.00 3.88 3.20 -1.92 -0.67 116.97 128.75 1q3k h TYR 121 Ca -0.21 0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.74 1q3k h TYR 121 Cb 1.08 0.42 0.00 0.00 1.54 0.00 0.00 36.73 39.76 1q3k h TYR 121 CO 0.52 -0.38 0.00 0.39 -1.64 0.00 0.00 178.16 177.04 1q3k n GLU 122 N -5.53 0.12 0.15 1.82 4.71 -1.26 -2.79 120.64 117.85 1q3k n GLU 122 Ca 0.11 0.52 0.02 0.00 -0.01 0.00 0.00 57.16 57.80 1q3k n GLU 122 Cb 0.42 -1.82 0.14 0.00 -1.01 0.00 0.00 31.44 29.18 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 -0.20 1.62 2.35 -1.44 -3.42 115.58 114.49 1q3k h ASN 123 Ca 0.00 0.00 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 1q3k h ASN 123 Cb 0.13 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.47 1q3k h ASN 123 CO 0.00 0.53 -0.12 -1.20 -1.65 0.00 0.00 177.43 174.99 1q3k n SER 124 N -3.41 -0.21 0.18 5.81 7.64 -1.12 -1.25 113.62 121.26 1q3k n SER 124 Ca 0.01 0.77 0.04 0.00 1.01 0.00 0.00 58.87 60.70 1q3k n SER 124 Cb 0.66 -0.25 0.47 0.00 -1.01 0.00 0.00 64.21 64.08 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 0.11 -0.15 1.43 2.86 -1.87 -0.48 114.93 116.83 1q3k h MET 125 Ca 0.03 -0.02 -0.19 0.00 -2.06 0.00 0.00 59.70 57.47 1q3k h MET 125 Cb 0.08 -0.02 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 1q3k h MET 125 CO -0.19 0.24 -0.67 0.74 1.06 0.00 0.00 176.91 178.09 1q3k h PHE 126 N 0.10 0.76 -0.41 -0.22 -1.00 -1.45 -1.73 116.94 112.99 1q3k h PHE 126 Ca 0.02 -0.31 -0.00 0.00 2.81 0.00 0.00 57.97 60.49 1q3k h PHE 126 Cb 0.29 -0.13 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 1q3k h PHE 126 CO 0.00 1.08 0.24 0.82 -1.61 0.00 0.00 178.31 178.85 1q3k h ILE 127 N 0.42 1.14 -0.58 -0.55 2.04 -0.50 -1.26 117.51 118.21 1q3k h ILE 127 Ca -0.02 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.55 1q3k h ILE 127 Cb 1.25 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 37.90 1q3k h ILE 127 CO 0.13 0.14 0.35 0.58 0.00 0.00 0.00 178.15 179.35 1q3k h VAL 128 N 0.54 1.07 -0.59 1.67 2.07 -0.91 -0.43 116.25 119.68 1q3k h VAL 128 Ca 0.15 -0.24 -0.09 0.00 0.82 0.00 0.00 66.70 67.34 1q3k h VAL 128 Cb 0.01 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.06 1q3k h VAL 128 CO -0.03 0.13 0.02 -0.08 0.02 0.00 0.00 177.57 177.63 1q3k h GLU 129 N 0.70 1.01 -0.72 1.57 4.57 -1.16 0.77 114.58 121.31 1q3k h GLU 129 Ca 0.23 -0.30 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 1q3k h GLU 129 Cb 0.01 -0.10 -0.04 0.00 -0.16 0.00 0.00 28.75 28.46 1q3k h GLU 129 CO -0.09 0.98 0.48 0.78 -1.18 0.00 0.00 179.01 179.97 1q3k h GLY 130 N 1.00 1.02 0.79 1.92 0.00 -0.24 0.10 103.07 107.66 1q3k h GLY 130 Ca 0.17 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 1q3k h GLY 130 CO 0.02 0.37 0.02 -2.22 0.00 0.00 0.00 176.54 174.73 1q3k h ILE 131 N 0.98 1.21 -0.66 2.60 2.04 -0.66 -1.82 117.51 121.20 1q3k h ILE 131 Ca 0.26 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.50 1q3k h ILE 131 Cb -0.11 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 1q3k h ILE 131 CO -0.06 0.18 0.41 -0.78 0.00 0.00 0.00 178.15 177.90 1q3k h ASP 132 N -0.08 0.66 -0.47 1.72 3.58 -0.25 0.12 116.42 121.71 1q3k h ASP 132 Ca 0.03 0.00 -0.07 0.00 0.42 0.00 0.00 57.03 57.40 1q3k h ASP 132 Cb 0.28 -0.14 -0.02 0.00 1.72 0.00 0.00 39.33 41.17 1q3k h ASP 132 CO 0.00 0.46 -0.00 -0.07 -2.88 0.00 0.00 179.24 176.75 1q3k h LEU 133 N 0.79 0.81 -0.41 2.28 3.38 -0.95 -2.12 115.31 119.09 1q3k h LEU 133 Ca 0.27 -0.31 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1q3k h LEU 133 Cb 0.03 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1q3k h LEU 133 CO -0.11 0.92 0.07 0.00 0.09 0.00 0.00 178.44 179.41 1q3k h ALA 134 N 0.92 0.55 -0.43 1.53 0.00 -1.14 -2.29 119.26 118.39 1q3k h ALA 134 Ca 0.13 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.79 1q3k h ALA 134 Cb 0.51 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 1q3k h ALA 134 CO 0.02 0.26 0.11 -0.07 0.00 0.00 0.00 179.25 179.58 1q3k h LEU 135 N 0.54 0.59 -0.48 0.00 3.38 -0.91 0.40 115.31 118.83 1q3k h LEU 135 Ca 0.13 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.02 1q3k h LEU 135 Cb 0.37 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 1q3k h LEU 135 CO 0.01 0.58 0.31 -0.09 0.09 0.00 0.00 178.44 179.34 1q3k h ARG 136 N 0.63 0.62 -0.49 1.13 2.43 -1.16 -0.59 114.38 116.94 1q3k h ARG 136 Ca 0.15 -0.04 -0.08 0.00 -0.81 0.00 0.00 59.98 59.20 1q3k h ARG 136 Cb 0.22 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1q3k h ARG 136 CO -0.00 0.41 -0.01 1.49 -1.51 0.00 0.00 179.97 180.34 1q3k h GLU 137 N 0.64 0.87 -0.94 0.20 4.81 -0.95 -2.81 114.58 116.40 1q3k h GLU 137 Ca 0.18 -0.28 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1q3k h GLU 137 Cb -0.06 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.19 1q3k h GLU 137 CO -0.05 0.92 0.61 -0.07 -0.73 0.00 0.00 179.01 179.69 1q3k h LEU 138 N 0.73 1.00 -0.73 1.64 4.07 -0.25 -1.29 115.31 120.48 1q3k h LEU 138 Ca 0.14 -0.00 -0.03 0.00 0.08 0.00 0.00 57.88 58.07 1q3k h LEU 138 Cb 0.53 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.01 1q3k h LEU 138 CO 0.03 0.67 0.35 0.03 -1.08 0.00 0.00 178.44 178.43 1q3k h ARG 139 N 1.15 1.06 -0.38 1.13 3.08 -0.93 -0.48 114.38 119.00 1q3k h ARG 139 Ca 0.38 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.32 1q3k h ARG 139 Cb 0.07 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1q3k h ARG 139 CO -0.13 0.83 0.26 1.88 -1.07 0.00 0.00 179.97 181.74 1q3k h TYR 140 N 1.03 0.32 -0.01 3.04 0.99 -1.06 0.53 116.97 121.80 1q3k h TYR 140 Ca 0.25 0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.99 1q3k h TYR 140 Cb 0.13 -0.11 0.00 0.00 1.00 0.00 0.00 36.73 37.75 1q3k h TYR 140 CO 0.01 0.18 0.00 0.00 -0.00 0.00 0.00 178.16 178.35 1q3k n ALA 141 N -2.52 2.63 -0.45 3.88 0.00 -0.47 -4.90 120.51 118.68 1q3k n ALA 141 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.17 1q3k n ALA 141 Cb 0.21 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.33 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 1.07 0.74 3.54 0.00 0.00 0.18 -5.04 105.19 105.68 1q3k n GLY 142 Ca 0.21 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.90 5.00 -0.58 -0.61 1.01 -0.31 -4.91 121.20 117.89 1q3k s ILE 143 Ca 0.00 0.19 0.05 0.00 0.00 0.00 0.00 60.65 60.89 1q3k s ILE 143 Cb 0.00 -4.01 0.02 0.00 0.01 0.00 0.00 42.46 38.48 1q3k s ILE 143 CO 0.00 -0.30 0.56 1.41 0.00 0.00 0.00 174.94 176.61 1q3k n HIS 144 N 5.79 0.00 -0.99 3.97 8.25 -1.26 -3.43 115.22 127.54 1q3k n HIS 144 Ca -0.05 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.44 1q3k n HIS 144 Cb 0.48 0.00 0.34 0.00 1.12 0.00 0.00 29.99 31.94 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 -0.03 5.00 -4.71 0.41 5.75 -1.26 -4.91 116.55 116.80 1q3k n ASP 145 Ca 0.03 -3.08 -0.39 0.00 -0.01 0.00 0.00 54.79 51.33 1q3k n ASP 145 Cb 0.12 -0.68 -0.05 0.00 -1.03 0.00 0.00 41.12 39.48 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 -2.88 3.55 -0.07 2.11 5.36 -1.26 -4.80 117.98 119.98 1q3k s PHE 146 Ca 0.52 1.16 0.03 0.00 -0.96 0.00 0.00 56.93 57.69 1q3k s PHE 146 Cb 0.41 -2.76 0.00 0.00 -0.34 0.00 0.00 43.02 40.34 1q3k s PHE 146 CO 0.13 0.08 -0.17 0.21 -1.46 0.00 0.00 175.22 174.01 1q3k s LYS 147 N 0.87 2.11 -0.02 10.12 2.20 0.09 -5.01 119.74 130.10 1q3k s LYS 147 Ca 0.35 -0.61 0.08 0.00 -0.36 0.00 0.00 55.97 55.43 1q3k s LYS 147 Cb -0.17 -1.71 -0.02 0.00 -1.51 0.00 0.00 37.83 34.42 1q3k s LYS 147 CO 0.16 0.14 -0.25 0.08 -0.36 0.00 0.00 175.35 175.12 1q3k s VAL 148 N 0.38 2.16 -0.16 4.02 1.01 -1.26 -1.88 120.40 124.67 1q3k s VAL 148 Ca -0.12 -1.09 0.01 0.00 0.00 0.00 0.00 61.98 60.78 1q3k s VAL 148 Cb -0.15 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.48 1q3k s VAL 148 CO 0.05 0.57 -0.19 -0.69 0.00 0.00 0.00 175.10 174.83 1q3k s VAL 149 N -0.64 2.25 -0.06 2.92 1.01 -0.23 -5.00 120.40 120.65 1q3k s VAL 149 Ca 0.10 -0.90 0.03 0.00 0.00 0.00 0.00 61.98 61.21 1q3k s VAL 149 Cb -0.10 -1.93 -0.02 0.00 0.00 0.00 0.00 36.38 34.33 1q3k s VAL 149 CO -0.01 0.53 -0.14 -0.69 0.00 0.00 0.00 175.10 174.80 1q3k s VAL 150 N 1.00 3.05 0.02 2.92 1.01 -1.26 -0.01 120.40 127.14 1q3k s VAL 150 Ca -0.02 -0.71 -0.25 0.00 0.00 0.00 0.00 61.98 60.99 1q3k s VAL 150 Cb -0.15 -2.21 0.06 0.00 0.00 0.00 0.00 36.38 34.08 1q3k s VAL 150 CO -0.05 0.58 0.58 -1.48 0.00 0.00 0.00 175.10 174.72 1q3k s LEU 151 N -0.52 -0.30 -0.28 3.92 0.05 -0.57 -4.96 118.68 116.02 1q3k s LEU 151 Ca 0.07 0.36 -0.08 0.00 0.05 0.00 0.00 54.13 54.53 1q3k s LEU 151 Cb -0.12 2.29 -0.01 0.00 -2.05 0.00 0.00 46.19 46.30 1q3k s LEU 151 CO 0.02 -0.69 0.09 -0.44 -0.55 0.00 0.00 176.35 174.77 1q3k s SER 152 N -1.73 5.20 0.45 1.48 0.01 -1.26 -0.51 113.70 117.34 1q3k s SER 152 Ca -0.07 -0.44 0.24 0.00 1.31 0.00 0.00 55.95 56.99 1q3k s SER 152 Cb -0.01 -1.92 1.26 0.00 0.21 0.00 0.00 66.02 65.56 1q3k s SER 152 CO 0.02 -0.12 1.79 0.10 0.41 0.00 0.00 173.24 175.44 1q3k h TYR 153 N 8.26 0.43 0.00 2.43 -0.00 -1.91 -0.58 116.97 125.60 1q3k h TYR 153 Ca -0.35 0.01 0.00 0.00 0.00 0.00 0.00 58.73 58.40 1q3k h TYR 153 Cb 1.15 -0.12 0.00 0.00 0.00 0.00 0.00 36.73 37.76 1q3k h TYR 153 CO 0.64 0.04 0.00 0.11 -0.00 0.00 0.00 178.16 178.95 1q3k h TRP 154 N 0.25 0.00 0.00 0.10 0.09 -1.94 -2.47 115.95 111.98 1q3k h TRP 154 Ca 0.57 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.55 1q3k h TRP 154 Cb 1.72 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.96 1q3k h TRP 154 CO -0.00 0.00 0.00 -0.44 0.09 0.00 0.00 178.44 178.09 1q3k h ASP 155 N 0.00 0.00 0.05 0.11 3.32 -1.52 -2.13 116.42 116.24 1q3k h ASP 155 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1q3k h ASP 155 Cb 0.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1q3k h ASP 155 CO 0.00 0.00 -0.00 0.49 -1.72 0.00 0.00 179.24 178.01 1q3k n PHE 156 N -2.57 0.00 -3.04 4.55 3.01 -0.93 -4.18 117.46 114.29 1q3k n PHE 156 Ca 0.01 0.00 -0.44 0.00 1.01 0.00 0.00 57.45 58.03 1q3k n PHE 156 Cb 0.24 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 -0.99 4.63 -0.11 -4.37 0.31 -0.80 -4.69 118.33 112.31 1q3k n VAL 157 Ca 0.23 -5.22 -0.14 0.00 -0.01 0.00 0.00 64.34 59.20 1q3k n VAL 157 Cb 0.13 -2.42 -0.12 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 3.27 0.69 -1.56 5.55 5.02 -1.26 -4.90 118.16 124.97 1q3k n LYS 158 Ca 0.30 0.10 -0.55 0.00 -2.02 0.00 0.00 58.31 56.13 1q3k n LYS 158 Cb 0.38 -1.46 -0.08 0.00 -0.02 0.00 0.00 35.03 33.85 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 -3.06 2.11 -0.11 4.39 2.03 -1.26 -4.82 116.55 115.84 1q3k n ASP 159 Ca -0.38 0.80 0.16 0.00 0.52 0.00 0.00 54.79 55.89 1q3k n ASP 159 Cb 0.97 -1.15 0.56 0.00 -0.72 0.00 0.00 41.12 40.78 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 9.22 0.29 -0.45 -0.67 0.11 -1.98 0.24 132.00 138.76 1q3k h PRO 160 Ca -0.35 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.69 1q3k h PRO 160 Cb 1.33 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.36 1q3k h PRO 160 CO 1.00 0.19 0.08 0.00 -0.21 0.00 0.00 178.00 179.06 1q3k h ALA 161 N 1.68 0.59 -0.31 -0.75 0.00 -1.99 0.25 119.26 118.73 1q3k h ALA 161 Ca 0.33 -0.22 -0.17 0.00 0.00 0.00 0.00 54.91 54.85 1q3k h ALA 161 Cb 0.87 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 1q3k h ALA 161 CO -0.08 0.30 -0.48 0.28 0.00 0.00 0.00 179.25 179.27 1q3k h VAL 162 N 0.60 1.28 -0.54 0.00 2.07 -1.45 -0.96 116.25 117.24 1q3k h VAL 162 Ca 0.14 -1.67 -0.03 0.00 0.82 0.00 0.00 66.70 65.96 1q3k h VAL 162 Cb 0.36 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1q3k h VAL 162 CO 0.01 0.55 0.23 0.40 0.02 0.00 0.00 177.57 178.78 1q3k h ILE 163 N 0.67 1.21 0.13 4.57 2.04 -0.44 0.30 117.51 126.00 1q3k h ILE 163 Ca 0.03 -0.64 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1q3k h ILE 163 Cb 1.07 0.62 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 1q3k h ILE 163 CO 0.11 0.25 -0.06 -0.61 0.00 0.00 0.00 178.15 177.83 1q3k h GLN 164 N 0.74 -0.17 -0.61 2.37 4.15 -0.40 0.55 115.11 121.74 1q3k h GLN 164 Ca 0.18 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1q3k h GLN 164 Cb 0.17 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 1q3k h GLN 164 CO -0.02 -0.10 0.39 -0.09 -1.93 0.00 0.00 178.83 177.09 1q3k h ARG 165 N -0.20 0.81 -0.04 1.69 2.43 -0.87 -0.83 114.38 117.38 1q3k h ARG 165 Ca -0.02 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.04 1q3k h ARG 165 Cb 0.15 -0.18 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 1q3k h ARG 165 CO 0.03 0.55 -0.20 -0.07 -1.51 0.00 0.00 179.97 178.76 1q3k h LEU 166 N 0.83 0.25 -5.74 3.80 -0.00 0.04 -3.38 115.31 111.11 1q3k h LEU 166 Ca 0.22 -0.66 -0.64 0.00 -0.00 0.00 0.00 57.88 56.80 1q3k h LEU 166 Cb -0.07 -0.07 -0.39 0.00 -0.00 0.00 0.00 40.66 40.13 1q3k h LEU 166 CO -0.05 0.87 -0.26 -1.22 -0.00 0.00 0.00 178.44 177.79 1q3k n TYR 167 N -4.55 3.65 -1.66 1.13 4.02 0.19 -4.98 117.16 114.95 1q3k n TYR 167 Ca -0.09 -3.70 -0.18 0.00 -0.01 0.00 0.00 57.90 53.92 1q3k n TYR 167 Cb 0.44 -0.67 -0.11 0.00 -0.02 0.00 0.00 39.34 38.98 1q3k n TYR 167 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 176.86 173.55 1q3k n PRO 168 N 0.11 0.46 0.00 -0.72 -0.02 -0.34 -0.40 135.00 134.08 1q3k n PRO 168 Ca 0.33 -1.88 0.00 0.00 -2.02 0.00 0.00 63.50 59.94 1q3k n PRO 168 Cb 0.37 -3.86 0.00 0.00 -0.02 0.00 0.00 33.50 29.99 1q3k n PRO 168 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 1q3k n GLU 169 N 8.16 0.00 0.00 -0.52 4.07 -1.26 -5.12 120.64 125.97 1q3k n GLU 169 Ca 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.52 1q3k n GLU 169 Cb 0.47 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.85 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 0.52 3.69 8.31 0.00 0.46 -4.97 105.19 113.19 1q3k n GLY 170 Ca 0.00 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.10 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 -1.96 3.48 0.07 1.61 5.99 -1.26 -4.89 117.98 121.01 1q3k s PHE 171 Ca 0.00 1.21 -0.07 0.00 0.00 0.00 0.00 56.93 58.07 1q3k s PHE 171 Cb 0.00 -2.91 -0.29 0.00 0.00 0.00 0.00 43.02 39.82 1q3k s PHE 171 CO 0.00 -0.10 1.12 -0.07 -0.00 0.00 0.00 175.22 176.16 1q3k h LEU 172 N 7.69 0.55 0.00 6.12 3.38 -1.96 -3.50 115.31 127.59 1q3k h LEU 172 Ca -0.34 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.05 1q3k h LEU 172 Cb 1.16 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1q3k h LEU 172 CO 0.79 1.44 0.00 0.61 0.09 0.00 0.00 178.44 181.38 1q3k n GLY 173 N 1.54 3.91 0.22 0.83 0.00 -1.26 -4.90 105.19 105.53 1q3k n GLY 173 Ca -0.11 -1.67 0.09 0.00 0.00 0.00 0.00 46.02 44.33 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 0.06 1.61 -0.00 -1.97 -3.25 115.95 112.41 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 0.24 -0.42 -0.44 -0.00 0.00 0.00 178.44 177.82 1q3k h ASP 175 N 0.00 -1.25 -0.25 -3.49 3.45 -1.90 -1.63 116.42 111.34 1q3k h ASP 175 Ca -0.00 0.15 0.00 0.00 0.43 0.00 0.00 57.03 57.60 1q3k h ASP 175 Cb 0.63 0.48 0.00 0.00 -0.56 0.00 0.00 39.33 39.88 1q3k h ASP 175 CO 0.03 -0.47 0.00 2.30 -1.57 0.00 0.00 179.24 179.53 1q3k n ILE 176 N -5.46 0.47 -1.03 0.35 -5.35 -1.23 -4.31 119.36 102.80 1q3k n ILE 176 Ca -0.06 -0.38 -0.14 0.00 -0.27 0.00 0.00 62.75 61.90 1q3k n ILE 176 Cb 0.37 0.07 -0.12 0.00 -1.74 0.00 0.00 39.64 38.22 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 0.27 1.95 -3.70 6.28 -0.58 -0.61 -3.37 120.64 120.88 1q3k n GLU 177 Ca 0.09 -1.18 -0.39 0.00 -0.42 0.00 0.00 57.16 55.27 1q3k n GLU 177 Cb 0.29 -1.89 -0.12 0.00 -0.57 0.00 0.00 31.44 29.16 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 0.20 3.29 -0.71 -0.32 5.65 -1.26 -4.39 115.29 117.75 1q3k s HIS 178 Ca 0.56 -1.44 0.00 0.00 0.25 0.00 0.00 55.06 54.43 1q3k s HIS 178 Cb 0.29 -2.50 0.00 0.00 -1.18 0.00 0.00 32.58 29.19 1q3k s HIS 178 CO -0.05 -0.76 0.00 0.41 -0.65 0.00 0.00 174.74 173.70 1q3k n GLY 179 N 4.85 0.85 0.00 1.59 0.00 -1.26 -2.16 105.19 109.06 1q3k n GLY 179 Ca -0.11 -0.74 0.00 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.10 1.75 0.21 -0.02 0.00 -1.26 -4.46 105.19 99.31 1q3k n GLY 180 Ca -0.07 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.01 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 0.66 0.04 1.61 2.07 -1.84 -2.06 116.25 116.74 1q3k h VAL 181 Ca 0.00 -0.07 0.02 0.00 0.82 0.00 0.00 66.70 67.47 1q3k h VAL 181 Cb 0.00 0.70 -0.05 0.00 -1.52 0.00 0.00 31.29 30.42 1q3k h VAL 181 CO 0.00 0.01 -0.52 0.15 0.02 0.00 0.00 177.57 177.23 1q3k h PHE 182 N -0.50 -1.53 -0.20 1.57 3.57 -1.94 0.09 116.94 118.00 1q3k h PHE 182 Ca -0.05 0.05 -0.08 0.00 3.53 0.00 0.00 57.97 61.41 1q3k h PHE 182 Cb 0.38 0.66 -0.00 0.00 2.79 0.00 0.00 35.95 39.78 1q3k h PHE 182 CO -0.04 -0.58 -0.20 0.93 -2.23 0.00 0.00 178.31 176.19 1q3k h GLU 183 N -0.70 0.49 -0.75 1.11 5.08 -1.87 -1.81 114.58 116.14 1q3k h GLU 183 Ca 0.01 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.10 1q3k h GLU 183 Cb 0.73 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.96 1q3k h GLU 183 CO -0.33 0.84 0.44 1.15 -1.00 0.00 0.00 179.01 180.10 1q3k h THR 184 N 0.17 1.21 0.11 1.13 2.02 -1.32 0.41 112.91 116.64 1q3k h THR 184 Ca 0.03 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 66.72 1q3k h THR 184 Cb 0.74 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.33 1q3k h THR 184 CO 0.05 0.23 -0.05 0.28 0.37 0.00 0.00 175.52 176.39 1q3k h SER 185 N 1.03 -0.13 0.12 4.18 0.02 -0.86 0.18 113.55 118.09 1q3k h SER 185 Ca 0.27 -0.23 -0.02 0.00 -0.84 0.00 0.00 61.79 60.97 1q3k h SER 185 Cb -0.02 0.03 -0.00 0.00 0.14 0.00 0.00 62.40 62.55 1q3k h SER 185 CO -0.05 0.16 -0.09 0.25 -1.14 0.00 0.00 176.83 175.97 1q3k h LEU 186 N -0.43 0.00 -0.34 5.07 5.85 -1.11 -1.61 115.31 122.74 1q3k h LEU 186 Ca -0.02 0.00 -0.19 0.00 0.84 0.00 0.00 57.88 58.51 1q3k h LEU 186 Cb 0.35 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.37 1q3k h LEU 186 CO 0.03 0.09 -0.80 -0.03 -0.34 0.00 0.00 178.44 177.38 1q3k h MET 187 N 0.00 0.35 -0.21 1.25 4.05 0.35 -2.77 114.93 117.96 1q3k h MET 187 Ca -0.00 -0.32 -0.07 0.00 -0.28 0.00 0.00 59.70 59.03 1q3k h MET 187 Cb 0.17 0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1q3k h MET 187 CO 0.01 0.99 -0.17 -0.07 0.23 0.00 0.00 176.91 177.90 1q3k h LEU 188 N 0.23 0.34 -0.00 3.39 3.38 0.32 0.15 115.31 123.11 1q3k h LEU 188 Ca -0.04 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.84 1q3k h LEU 188 Cb 1.40 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 42.06 1q3k h LEU 188 CO 0.13 0.53 -0.29 0.00 0.09 0.00 0.00 178.44 178.90 1q3k n ALA 189 N -2.48 3.05 -0.01 1.53 0.00 -0.98 -3.99 120.51 117.62 1q3k n ALA 189 Ca -0.00 -0.25 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1q3k n ALA 189 Cb 0.32 -1.26 -0.01 0.00 0.00 0.00 0.00 19.45 18.50 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 -1.50 1.92 -3.20 0.00 4.77 -1.00 -4.92 117.00 113.07 1q3k n LEU 190 Ca 0.06 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.82 1q3k n LEU 190 Cb 0.34 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.30 1q3k n LEU 190 CO 0.32 0.35 -0.20 -1.22 -1.33 0.00 0.00 177.39 175.31 1q3k n TYR 191 N -2.77 0.65 -0.30 -1.77 4.02 0.49 -4.99 117.16 112.49 1q3k n TYR 191 Ca -0.04 -3.75 0.19 0.00 -0.01 0.00 0.00 57.90 54.28 1q3k n TYR 191 Cb 0.54 -0.41 0.46 0.00 -0.02 0.00 0.00 39.34 39.91 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 3.60 0.48 0.00 -0.72 0.11 -1.67 0.64 132.00 134.43 1q3k h PRO 192 Ca 0.10 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.17 1q3k h PRO 192 Cb 0.85 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1q3k h PRO 192 CO 0.55 0.32 -0.05 -0.44 -0.21 0.00 0.00 178.00 178.17 1q3k h ASP 193 N 0.50 0.00 -0.29 -2.05 3.32 -1.93 -2.28 116.42 113.69 1q3k h ASP 193 Ca 0.53 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.58 1q3k h ASP 193 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 1q3k h ASP 193 CO -0.26 0.05 0.00 0.18 -1.72 0.00 0.00 179.24 177.49 1q3k n LEU 194 N -3.31 2.38 -3.86 1.55 4.77 0.21 -4.85 117.00 113.89 1q3k n LEU 194 Ca -0.01 -1.05 -0.15 0.00 -0.03 0.00 0.00 56.01 54.77 1q3k n LEU 194 Cb 0.21 -0.19 -0.15 0.00 -2.33 0.00 0.00 43.42 40.96 1q3k n LEU 194 CO 0.26 0.52 -0.37 0.54 -1.33 0.00 0.00 177.39 177.01 1q3k s VAL 195 N -1.62 0.14 -0.38 4.08 0.11 -0.86 -2.62 120.40 119.25 1q3k s VAL 195 Ca 0.34 0.01 0.01 0.00 -2.93 0.00 0.00 61.98 59.41 1q3k s VAL 195 Cb 0.19 -0.18 0.12 0.00 -1.53 0.00 0.00 36.38 34.98 1q3k s VAL 195 CO 0.27 0.09 0.18 -0.62 -3.33 0.00 0.00 175.10 171.68 1q3k s ASP 196 N 0.47 3.76 0.64 3.54 2.15 -0.23 -4.90 116.67 122.10 1q3k s ASP 196 Ca -0.04 -2.20 0.29 0.00 0.43 0.00 0.00 52.55 51.03 1q3k s ASP 196 Cb -0.07 -0.92 1.59 0.00 -0.30 0.00 0.00 42.92 43.22 1q3k s ASP 196 CO -0.01 -0.33 1.92 -0.07 -0.17 0.00 0.00 175.17 176.51 1q3k h LEU 197 N 7.29 0.00 -0.87 -1.34 -0.00 -1.95 -1.90 115.31 116.53 1q3k h LEU 197 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 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 0.46 0.00 0.00 -0.33 -0.00 0.00 0.00 178.44 178.57 1q3k h GLU 198 N 0.00 0.00 -0.01 1.13 5.08 -1.95 -2.32 114.58 116.52 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 0.78 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.03 1q3k h GLU 198 CO -0.00 0.00 -0.48 0.54 -1.00 0.00 0.00 179.01 178.07 1q3k n ARG 199 N -2.50 0.81 -1.57 2.33 1.74 -0.71 -4.92 116.66 111.83 1q3k n ARG 199 Ca 0.02 -0.61 -0.51 0.00 -0.77 0.00 0.00 57.85 55.98 1q3k n ARG 199 Cb 0.27 -1.49 -0.06 0.00 -1.02 0.00 0.00 32.46 30.16 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 -0.56 0.33 -2.98 1.55 0.31 -0.87 -4.38 118.33 111.73 1q3k n VAL 200 Ca 0.09 -0.19 -0.44 0.00 -0.01 0.00 0.00 64.34 63.80 1q3k n VAL 200 Cb 0.40 -1.67 -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 5.71 4.75 0.53 2.52 1.01 -1.26 -4.98 120.40 128.69 1q3k s VAL 201 Ca 1.02 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 61.42 1q3k s VAL 201 Cb -0.83 -4.70 -0.06 0.00 0.00 0.00 0.00 36.38 30.80 1q3k s VAL 201 CO 0.53 -1.40 1.30 -0.67 0.00 0.00 0.00 175.10 174.86 1q3k n ASP 202 N 6.49 2.47 -3.55 3.32 -0.08 -1.26 -4.86 116.55 119.08 1q3k n ASP 202 Ca 0.14 0.98 -0.08 0.00 -1.51 0.00 0.00 54.79 54.31 1q3k n ASP 202 Cb 0.47 -1.55 -0.02 0.00 2.34 0.00 0.00 41.12 42.37 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 -1.30 -0.35 0.51 -0.67 -3.43 -1.26 -5.04 115.29 103.75 1q3k s HIS 203 Ca 0.70 0.15 -0.22 0.00 -0.80 0.00 0.00 55.06 54.89 1q3k s HIS 203 Cb -0.43 0.57 -0.06 0.00 -1.43 0.00 0.00 32.58 31.23 1q3k s HIS 203 CO 0.50 -0.73 1.23 -2.14 -2.00 0.00 0.00 174.74 171.61 1q3k s PRO 204 N -3.38 3.41 0.28 -0.38 0.02 -1.26 -4.05 135.00 129.64 1q3k s PRO 204 Ca 0.05 1.92 -0.28 0.00 0.02 0.00 0.00 61.00 62.71 1q3k s PRO 204 Cb -0.01 -2.26 -0.14 0.00 0.02 0.00 0.00 34.50 32.10 1q3k s PRO 204 CO -0.07 -0.88 1.03 -2.30 -0.33 0.00 0.00 177.00 174.45 1q3k n PRO 205 N -0.88 1.35 -1.97 5.54 -0.02 -1.26 -4.80 135.00 132.96 1q3k n PRO 205 Ca 0.10 0.47 -0.39 0.00 -2.02 0.00 0.00 63.50 61.66 1q3k n PRO 205 Cb 0.47 -1.86 0.01 0.00 -0.02 0.00 0.00 33.50 32.10 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 -0.98 3.20 0.01 3.55 0.00 0.18 -4.99 121.76 122.73 1q3k s ALA 206 Ca 0.60 1.29 0.03 0.00 0.00 0.00 0.00 51.96 53.88 1q3k s ALA 206 Cb -0.71 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 18.88 1q3k s ALA 206 CO 0.59 -0.97 -0.10 0.99 0.00 0.00 0.00 175.76 176.27 1q3k s THR 207 N -1.27 0.80 0.04 0.00 2.01 -1.26 -4.97 115.64 110.99 1q3k s THR 207 Ca 0.60 -0.67 -0.03 0.00 0.31 0.00 0.00 61.69 61.89 1q3k s THR 207 Cb -0.39 -0.72 -0.02 0.00 0.01 0.00 0.00 72.50 71.38 1q3k s THR 207 CO 0.50 0.05 0.04 -0.36 -0.69 0.00 0.00 174.62 174.16 1q3k s PHE 208 N -0.58 0.30 1.00 4.92 0.40 -1.26 -5.06 117.98 117.70 1q3k s PHE 208 Ca 0.01 -0.65 -0.12 0.00 -0.60 0.00 0.00 56.93 55.56 1q3k s PHE 208 Cb -0.06 -0.22 0.19 0.00 0.51 0.00 0.00 43.02 43.45 1q3k s PHE 208 CO 0.00 -0.33 1.08 -2.14 0.70 0.00 0.00 175.22 174.53 1q3k s PRO 209 N -2.69 0.41 0.00 0.24 0.02 -1.26 -4.86 135.00 126.86 1q3k s PRO 209 Ca -0.04 0.75 0.00 0.00 0.02 0.00 0.00 61.00 61.73 1q3k s PRO 209 Cb -0.01 -1.72 0.00 0.00 0.02 0.00 0.00 34.50 32.80 1q3k s PRO 209 CO -0.05 -2.80 0.54 -2.30 -0.33 0.00 0.00 177.00 172.06 1q3k n PRO 210 N -4.26 0.59 -3.98 5.54 -0.02 -1.26 -4.81 135.00 126.79 1q3k n PRO 210 Ca 0.06 0.00 -0.11 0.00 -2.02 0.00 0.00 63.50 61.42 1q3k n PRO 210 Cb 0.56 -1.22 -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 0.20 0.57 0.15 6.00 -0.85 -1.26 -5.18 117.35 116.98 1q3k s TYR 211 Ca 0.00 -0.96 0.10 0.00 -0.52 0.00 0.00 57.07 55.69 1q3k s TYR 211 Cb 0.00 0.26 -0.04 0.00 0.38 0.00 0.00 41.96 42.56 1q3k s TYR 211 CO 0.00 -1.21 -0.23 -0.51 -1.52 0.00 0.00 175.55 172.08 1q3k s ASP 212 N -3.12 3.06 -0.06 -0.18 1.01 -1.26 -5.08 116.67 111.05 1q3k s ASP 212 Ca 0.24 -0.78 0.04 0.00 0.71 0.00 0.00 52.55 52.76 1q3k s ASP 212 Cb -0.02 -0.20 -0.00 0.00 1.01 0.00 0.00 42.92 43.71 1q3k s ASP 212 CO 0.14 0.10 -0.20 -0.69 0.21 0.00 0.00 175.17 174.74 1q3k s VAL 213 N -1.39 1.66 0.01 -1.27 1.01 -1.26 -5.11 120.40 114.04 1q3k s VAL 213 Ca 0.14 -0.83 0.04 0.00 0.00 0.00 0.00 61.98 61.34 1q3k s VAL 213 Cb -0.09 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1q3k s VAL 213 CO 0.07 0.47 -0.14 -0.36 0.00 0.00 0.00 175.10 175.14 1q3k s PHE 214 N 0.12 1.22 0.51 5.22 0.40 -1.26 -3.48 117.98 120.70 1q3k s PHE 214 Ca -0.08 -0.27 -0.23 0.00 -0.60 0.00 0.00 56.93 55.75 1q3k s PHE 214 Cb -0.14 -0.76 -0.06 0.00 0.51 0.00 0.00 43.02 42.57 1q3k s PHE 214 CO 0.04 -0.00 1.39 -2.30 0.70 0.00 0.00 175.22 175.05 1q3k n PRO 215 N 2.48 1.92 -1.65 0.24 -0.02 -1.26 -5.05 135.00 131.66 1q3k n PRO 215 Ca -0.15 0.70 -0.49 0.00 -2.02 0.00 0.00 63.50 61.53 1q3k n PRO 215 Cb 0.55 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.38 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 -0.70 0.11 -3.04 -1.45 3.14 -1.23 -4.92 118.33 110.25 1q3k n VAL 216 Ca 0.08 -0.02 -0.43 0.00 -2.96 0.00 0.00 64.34 61.01 1q3k n VAL 216 Cb 0.43 -1.31 -0.06 0.00 -1.06 0.00 0.00 33.84 31.84 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 1.47 6.34 0.52 6.55 -1.08 -1.26 -4.95 116.67 124.26 1q3k s ASP 217 Ca 0.85 -0.34 0.24 0.00 -0.52 0.00 0.00 52.55 52.78 1q3k s ASP 217 Cb -0.81 -2.35 1.37 0.00 -1.46 0.00 0.00 42.92 39.67 1q3k s ASP 217 CO 0.45 -0.88 1.99 -0.65 0.52 0.00 0.00 175.17 176.61 1q3k h PRO 218 N 8.97 0.03 0.00 4.34 0.11 -1.96 -1.26 132.00 142.24 1q3k h PRO 218 Ca -0.25 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1q3k h PRO 218 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 1q3k h PRO 218 CO 0.94 0.02 0.00 0.00 -0.21 0.00 0.00 178.00 178.75 1q3k h ALA 219 N 1.73 1.00 -0.10 -0.75 0.00 -2.00 -2.78 119.26 116.36 1q3k h ALA 219 Ca 0.26 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1q3k h ALA 219 Cb 0.98 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1q3k h ALA 219 CO -0.01 0.00 0.00 0.54 0.00 0.00 0.00 179.25 179.78 1q3k n ARG 220 N -2.77 1.61 -4.75 0.00 1.74 -0.47 -4.77 116.66 107.25 1q3k n ARG 220 Ca 0.01 -0.91 -0.33 0.00 -0.77 0.00 0.00 57.85 55.84 1q3k n ARG 220 Cb 0.25 -1.41 -0.12 0.00 -1.02 0.00 0.00 32.46 30.15 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 -1.87 3.39 0.22 0.55 2.01 -1.05 -4.94 115.64 113.95 1q3k s THR 221 Ca 0.34 -0.59 -0.32 0.00 0.31 0.00 0.00 61.69 61.43 1q3k s THR 221 Cb 0.18 -2.37 -0.13 0.00 0.01 0.00 0.00 72.50 70.19 1q3k s THR 221 CO 0.28 0.59 1.44 -2.65 -0.69 0.00 0.00 174.62 173.59 1q3k n PRO 222 N 2.37 2.05 -0.31 4.92 -0.02 -1.26 -4.85 135.00 137.90 1q3k n PRO 222 Ca -0.18 0.73 0.15 0.00 -2.02 0.00 0.00 63.50 62.18 1q3k n PRO 222 Cb 0.53 -2.41 0.31 0.00 -0.02 0.00 0.00 33.50 31.91 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 4.53 1.30 0.00 3.55 0.00 -1.90 0.56 119.26 127.29 1q3k h ALA 223 Ca -0.45 0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 1q3k h ALA 223 Cb 1.27 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 19.49 1q3k h ALA 223 CO 0.78 -0.55 -0.03 -1.35 0.00 0.00 0.00 179.25 178.10 1q3k h PRO 224 N 0.11 0.00 0.00 0.00 0.11 -1.93 -3.46 132.00 126.83 1q3k h PRO 224 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 1q3k h PRO 224 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1q3k h PRO 224 CO -0.77 0.03 0.00 0.41 -0.21 0.00 0.00 178.00 177.46 1q3k n GLY 225 N -1.11 2.06 3.87 -0.55 0.00 0.19 -3.87 105.19 105.79 1q3k n GLY 225 Ca -0.03 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 -2.45 4.73 -2.01 2.61 -4.23 -1.26 -4.42 115.64 108.60 1q3k s THR 226 Ca 0.00 0.76 0.18 0.00 -1.18 0.00 0.00 61.69 61.45 1q3k s THR 226 Cb 0.00 -3.81 0.08 0.00 1.34 0.00 0.00 72.50 70.11 1q3k s THR 226 CO 0.00 -0.88 1.01 0.18 -0.54 0.00 0.00 174.62 174.39 1q3k n LEU 227 N -2.15 2.20 -3.55 4.79 4.77 -0.92 -4.37 117.00 117.77 1q3k n LEU 227 Ca 0.04 -0.91 -0.12 0.00 -0.03 0.00 0.00 56.01 54.99 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 0.53 0.39 0.67 -0.94 -1.33 0.00 0.00 177.39 176.71 1q3k s SER 228 N -1.72 -0.45 0.38 -1.43 1.04 -1.22 -0.65 113.70 109.65 1q3k s SER 228 Ca 0.19 0.45 -0.26 0.00 0.48 0.00 0.00 55.95 56.81 1q3k s SER 228 Cb 0.15 0.38 -0.09 0.00 0.10 0.00 0.00 66.02 66.56 1q3k s SER 228 CO 0.31 -0.45 1.14 -0.55 0.98 0.00 0.00 173.24 174.67 1q3k s SER 229 N -1.27 6.67 -0.22 7.02 0.15 -1.26 -3.98 113.70 120.82 1q3k s SER 229 Ca -0.04 2.29 0.14 0.00 0.70 0.00 0.00 55.95 59.04 1q3k s SER 229 Cb -0.00 -2.61 0.47 0.00 -1.71 0.00 0.00 66.02 62.16 1q3k s SER 229 CO 0.03 -0.56 1.37 0.00 1.20 0.00 0.00 173.24 175.27 1q3k n ALA 230 N 0.22 3.43 0.15 5.45 0.00 -1.26 -3.59 120.51 124.91 1q3k n ALA 230 Ca 0.04 -2.79 -0.00 0.00 0.00 0.00 0.00 53.44 50.69 1q3k n ALA 230 Cb 0.47 -0.63 0.23 0.00 0.00 0.00 0.00 19.45 19.51 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 1.09 0.01 -0.10 0.00 2.10 -1.93 -2.24 116.57 115.49 1q3k h LYS 231 Ca 0.09 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.73 1q3k h LYS 231 Cb 1.41 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.74 1q3k h LYS 231 CO 0.23 0.55 0.00 0.25 -2.00 0.00 0.00 179.45 178.47 1q3k n THR 232 N -3.90 0.14 -2.52 0.07 -2.24 -1.26 -4.85 114.28 99.72 1q3k n THR 232 Ca -0.01 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.20 1q3k n THR 232 Cb 0.55 0.04 -0.04 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 -1.86 3.34 0.06 6.98 0.00 -0.85 -5.03 121.76 124.40 1q3k s ALA 233 Ca 0.15 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.91 1q3k s ALA 233 Cb 0.08 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 1q3k s ALA 233 CO 0.12 -0.28 -0.07 -1.54 0.00 0.00 0.00 175.76 173.98 1q3k s SER 234 N 0.46 0.93 0.38 0.00 1.04 -1.26 -4.89 113.70 110.36 1q3k s SER 234 Ca 0.53 -0.69 0.05 0.00 0.48 0.00 0.00 55.95 56.32 1q3k s SER 234 Cb -0.28 0.06 0.77 0.00 0.10 0.00 0.00 66.02 66.67 1q3k s SER 234 CO 0.32 -0.29 2.03 -0.09 0.98 0.00 0.00 173.24 176.19 1q3k h ARG 235 N 4.01 0.67 -0.62 4.02 2.43 -1.88 -1.33 114.38 121.67 1q3k h ARG 235 Ca -0.36 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 58.78 1q3k h ARG 235 Cb 1.19 -0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 30.56 1q3k h ARG 235 CO 0.48 0.44 0.41 0.93 -1.51 0.00 0.00 179.97 180.72 1q3k h GLU 236 N 0.69 0.83 -0.29 0.20 3.07 -1.96 0.47 114.58 117.60 1q3k h GLU 236 Ca 0.20 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 1q3k h GLU 236 Cb -0.03 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.68 1q3k h GLU 236 CO -0.05 0.55 0.18 0.87 -1.40 0.00 0.00 179.01 179.17 1q3k h LYS 237 N 0.85 0.38 -0.85 2.33 1.57 -1.62 -1.72 116.57 117.51 1q3k h LYS 237 Ca 0.23 -0.03 0.09 0.00 -1.87 0.00 0.00 60.65 59.07 1q3k h LYS 237 Cb -0.09 -0.08 -0.07 0.00 0.08 0.00 0.00 32.23 32.07 1q3k h LYS 237 CO -0.05 0.27 0.50 0.78 -0.57 0.00 0.00 179.45 180.38 1q3k h GLY 238 N 0.38 1.33 1.24 3.86 0.00 -0.54 0.06 103.07 109.40 1q3k h GLY 238 Ca 0.10 -0.34 -0.05 0.00 0.00 0.00 0.00 47.33 47.04 1q3k h GLY 238 CO -0.02 0.15 0.18 0.83 0.00 0.00 0.00 176.54 177.68 1q3k h GLU 239 N 0.84 0.96 -0.18 4.80 4.39 -0.41 0.68 114.58 125.66 1q3k h GLU 239 Ca 0.41 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 1q3k h GLU 239 Cb 0.35 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1q3k h GLU 239 CO -0.24 0.83 -0.06 1.25 -1.16 0.00 0.00 179.01 179.64 1q3k h LEU 240 N 0.92 0.36 -0.35 1.33 5.85 -0.43 -2.80 115.31 120.20 1q3k h LEU 240 Ca 0.20 -0.38 0.04 0.00 0.84 0.00 0.00 57.88 58.58 1q3k h LEU 240 Cb 0.29 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.18 1q3k h LEU 240 CO -0.01 0.66 0.13 0.40 -0.34 0.00 0.00 178.44 179.29 1q3k h ILE 241 N 0.05 0.91 -0.09 4.05 2.04 -0.69 -2.31 117.51 121.47 1q3k h ILE 241 Ca 0.04 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.85 1q3k h ILE 241 Cb 0.51 0.60 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 1q3k h ILE 241 CO 0.02 0.05 -0.33 0.25 0.00 0.00 0.00 178.15 178.14 1q3k h LEU 242 N 0.28 -1.02 -0.52 1.44 5.85 -0.84 -0.52 115.31 119.99 1q3k h LEU 242 Ca 0.16 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 1q3k h LEU 242 Cb 0.12 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.55 1q3k h LEU 242 CO -0.15 -0.37 0.27 -0.33 -0.34 0.00 0.00 178.44 177.51 1q3k h GLU 243 N -0.43 0.74 -0.53 1.25 4.39 -1.41 0.15 114.58 118.74 1q3k h GLU 243 Ca 0.08 -0.10 0.07 0.00 0.34 0.00 0.00 59.36 59.75 1q3k h GLU 243 Cb 0.56 -0.14 -0.06 0.00 -0.10 0.00 0.00 28.75 29.01 1q3k h GLU 243 CO -0.33 0.59 0.22 0.28 -1.16 0.00 0.00 179.01 178.61 1q3k h VAL 244 N 0.69 0.86 0.20 3.13 2.07 -1.05 0.79 116.25 122.94 1q3k h VAL 244 Ca 0.18 -0.15 -0.01 0.00 0.82 0.00 0.00 66.70 67.55 1q3k h VAL 244 Cb 0.08 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 1q3k h VAL 244 CO -0.03 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.55 1q3k h VAL 246 N -0.74 0.84 -0.27 0.00 2.07 -0.59 0.19 116.25 117.76 1q3k h VAL 246 Ca -0.03 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.42 1q3k h VAL 246 Cb 0.50 0.68 -0.01 0.00 -1.52 0.00 0.00 31.29 30.94 1q3k h VAL 246 CO 0.04 0.03 0.09 -0.61 0.02 0.00 0.00 177.57 177.15 1q3k h GLN 247 N 0.15 0.41 -0.59 1.57 5.75 -0.90 0.27 115.11 121.78 1q3k h GLN 247 Ca 0.14 -0.08 -0.04 0.00 -0.15 0.00 0.00 58.65 58.52 1q3k h GLN 247 Cb 0.16 -0.06 -0.03 0.00 1.07 0.00 0.00 27.48 28.62 1q3k h GLN 247 CO -0.20 0.47 0.21 0.78 -2.65 0.00 0.00 178.83 177.44 1q3k h GLY 248 N 0.28 0.97 0.62 2.39 0.00 -0.92 -1.52 103.07 104.89 1q3k h GLY 248 Ca 0.09 -0.55 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1q3k h GLY 248 CO -0.00 0.52 -0.07 -2.22 0.00 0.00 0.00 176.54 174.77 1q3k h ILE 249 N 0.83 1.37 -0.61 2.60 2.04 -0.50 -1.69 117.51 121.55 1q3k h ILE 249 Ca 0.20 -1.22 0.12 0.00 1.00 0.00 0.00 64.86 64.96 1q3k h ILE 249 Cb 0.25 2.04 -0.09 0.00 -0.74 0.00 0.00 36.82 38.27 1q3k h ILE 249 CO -0.01 0.34 0.10 0.00 0.00 0.00 0.00 178.15 178.58 1q3k h ALA 250 N 0.56 0.70 -0.47 1.87 0.00 -0.37 0.50 119.26 122.05 1q3k h ALA 250 Ca 0.01 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1q3k h ALA 250 Cb 0.57 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1q3k h ALA 250 CO 0.02 -0.33 0.20 -0.44 0.00 0.00 0.00 179.25 178.69 1q3k h ASP 251 N 0.22 0.63 -0.64 0.00 3.32 -1.20 -1.37 116.42 117.38 1q3k h ASP 251 Ca 0.32 -0.15 0.04 0.00 0.02 0.00 0.00 57.03 57.26 1q3k h ASP 251 Cb 0.50 -0.16 -0.05 0.00 0.22 0.00 0.00 39.33 39.84 1q3k h ASP 251 CO -0.44 0.61 0.37 0.00 -1.72 0.00 0.00 179.24 178.06 1q3k h ALA 252 N 1.04 0.84 -0.69 3.45 0.00 -0.24 -0.72 119.26 122.94 1q3k h ALA 252 Ca 0.16 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1q3k h ALA 252 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1q3k h ALA 252 CO -0.02 0.08 0.30 0.82 0.00 0.00 0.00 179.25 180.43 1q3k h ILE 253 N 0.70 1.23 -0.79 0.00 2.04 -0.54 -0.36 117.51 119.80 1q3k h ILE 253 Ca 0.27 -0.69 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 1q3k h ILE 253 Cb 0.11 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.54 1q3k h ILE 253 CO -0.14 0.28 0.40 1.23 0.00 0.00 0.00 178.15 179.92 1q3k h GLY 254 N 1.06 1.19 0.73 5.37 0.00 -0.22 0.45 103.07 111.64 1q3k h GLY 254 Ca 0.23 -0.56 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 1q3k h GLY 254 CO -0.02 0.53 -0.01 1.46 0.00 0.00 0.00 176.54 178.49 1q3k h GLN 255 N 1.11 -0.03 0.04 4.80 1.08 -0.22 -3.11 115.11 118.77 1q3k h GLN 255 Ca 0.27 0.00 -0.23 0.00 -1.45 0.00 0.00 58.65 57.25 1q3k h GLN 255 Cb 0.07 0.01 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 1q3k h GLN 255 CO -0.04 0.24 -1.01 0.93 -0.95 0.00 0.00 178.83 177.99 1q3k h GLU 256 N -0.30 0.30 -2.31 1.46 4.39 -0.93 -3.36 114.58 113.82 1q3k h GLU 256 Ca -0.00 -0.37 -0.64 0.00 0.34 0.00 0.00 59.36 58.69 1q3k h GLU 256 Cb 0.29 0.12 -0.39 0.00 -0.10 0.00 0.00 28.75 28.66 1q3k h GLU 256 CO 0.01 1.09 -0.30 1.19 -1.16 0.00 0.00 179.01 179.83 1q3k n PHE 257 N -3.65 3.60 -1.73 4.33 0.99 0.15 -5.06 117.46 116.10 1q3k n PHE 257 Ca -0.06 -3.77 -0.42 0.00 -0.00 0.00 0.00 57.45 53.20 1q3k n PHE 257 Cb 0.89 -0.67 -0.03 0.00 -1.00 0.00 0.00 39.48 38.67 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 -3.13 4.13 0.28 -1.08 0.02 -1.17 -4.70 135.00 129.36 1q3k s PRO 258 Ca 0.43 2.60 -0.29 0.00 0.02 0.00 0.00 61.00 63.76 1q3k s PRO 258 Cb 0.20 -3.24 -0.14 0.00 0.02 0.00 0.00 34.50 31.34 1q3k s PRO 258 CO -0.06 -0.78 1.19 -2.30 -0.33 0.00 0.00 177.00 174.72 1q3k n PRO 259 N 4.52 1.71 0.00 5.54 -0.02 -1.26 -5.07 135.00 140.42 1q3k n PRO 259 Ca 0.16 0.60 0.12 0.00 -2.02 0.00 0.00 63.50 62.37 1q3k n PRO 259 Cb 0.36 -2.11 0.13 0.00 -0.02 0.00 0.00 33.50 31.87 1q3k n PRO 259 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89