#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqz s LYS 4 N 0.00 2.21 0.41 2.89 -0.14 -1.26 -4.99 119.74 118.86 3dqz s LYS 4 Ca 0.00 -0.93 0.04 0.00 -1.36 0.00 0.00 55.97 53.72 3dqz s LYS 4 Cb 0.00 -2.31 -0.05 0.00 -1.68 0.00 0.00 37.83 33.80 3dqz s LYS 4 CO 0.00 0.55 0.04 -1.01 -0.76 0.00 0.00 175.35 174.17 3dqz s HIS 5 N -1.04 2.08 -0.34 3.18 3.76 -1.26 -4.97 115.29 116.70 3dqz s HIS 5 Ca 0.17 -0.93 -0.08 0.00 -0.15 0.00 0.00 55.06 54.07 3dqz s HIS 5 Cb -0.11 -1.50 0.03 0.00 1.11 0.00 0.00 32.58 32.11 3dqz s HIS 5 CO 0.08 0.15 0.14 -1.58 -0.85 0.00 0.00 174.74 172.69 3dqz s HIS 6 N -3.00 3.23 -0.16 1.40 2.46 -1.26 -1.01 115.29 116.95 3dqz s HIS 6 Ca 0.26 -1.12 -0.18 0.00 0.47 0.00 0.00 55.06 54.49 3dqz s HIS 6 Cb 0.06 -2.34 -0.04 0.00 -0.13 0.00 0.00 32.58 30.13 3dqz s HIS 6 CO 0.13 -0.66 0.50 -0.06 -2.47 0.00 0.00 174.74 172.19 3dqz s PHE 7 N 1.49 3.44 -0.28 3.88 0.08 0.55 -1.27 117.98 125.86 3dqz s PHE 7 Ca 0.01 0.83 -0.08 0.00 0.12 0.00 0.00 56.93 57.81 3dqz s PHE 7 Cb -0.19 -2.62 -0.01 0.00 -0.57 0.00 0.00 43.02 39.63 3dqz s PHE 7 CO 0.04 0.02 0.10 0.08 -0.10 0.00 0.00 175.22 175.36 3dqz s VAL 8 N 1.19 4.35 -0.20 -0.44 1.01 -0.25 -0.65 120.40 125.41 3dqz s VAL 8 Ca 0.25 -0.36 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3dqz s VAL 8 Cb -0.15 -3.14 -0.05 0.00 0.00 0.00 0.00 36.38 33.04 3dqz s VAL 8 CO 0.10 0.19 0.12 -0.76 0.00 0.00 0.00 175.10 174.75 3dqz s LEU 9 N 1.59 4.11 -0.19 3.92 1.43 0.85 -0.30 118.68 130.09 3dqz s LEU 9 Ca 0.05 0.18 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3dqz s LEU 9 Cb -0.16 -2.07 0.03 0.00 0.03 0.00 0.00 46.19 44.02 3dqz s LEU 9 CO 0.04 0.16 -0.15 -0.69 0.23 0.00 0.00 176.35 175.94 3dqz s VAL 10 N 0.49 1.84 1.06 -1.59 1.01 0.61 -1.69 120.40 122.13 3dqz s VAL 10 Ca 0.07 -0.95 -0.17 0.00 0.00 0.00 0.00 61.98 60.93 3dqz s VAL 10 Cb -0.12 -1.77 0.23 0.00 0.00 0.00 0.00 36.38 34.72 3dqz s VAL 10 CO -0.00 0.36 1.20 -1.38 0.00 0.00 0.00 175.10 175.28 3dqz s HIS 11 N 1.35 1.22 0.64 5.22 -3.43 -1.26 -1.29 115.29 117.73 3dqz s HIS 11 Ca 0.02 0.47 0.00 0.00 -0.80 0.00 0.00 55.06 54.75 3dqz s HIS 11 Cb -0.15 -3.72 0.08 0.00 -1.43 0.00 0.00 32.58 27.37 3dqz s HIS 11 CO -0.10 -3.17 0.88 0.54 -2.00 0.00 0.00 174.74 170.89 3dqz s ASN 12 N -4.32 4.82 0.65 7.38 4.22 -1.21 -3.92 114.94 122.56 3dqz s ASN 12 Ca 0.71 -0.20 -0.16 0.00 -2.14 0.00 0.00 52.86 51.07 3dqz s ASN 12 Cb -0.08 -0.43 -0.01 0.00 1.28 0.00 0.00 41.25 42.02 3dqz s ASN 12 CO 0.54 -1.50 1.14 0.00 -2.04 0.00 0.00 177.10 175.24 3dqz s ALA 13 N -2.95 2.45 0.00 3.54 0.00 -1.26 -3.05 121.76 120.49 3dqz s ALA 13 Ca 0.62 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.26 3dqz s ALA 13 Cb -0.08 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.68 3dqz s ALA 13 CO 0.41 -1.28 0.00 0.66 0.00 0.00 0.00 175.76 175.55 3dqz n TYR 14 N -2.22 0.00 -3.68 0.00 4.01 -1.26 -4.92 117.16 109.09 3dqz n TYR 14 Ca 0.11 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.85 3dqz n TYR 14 Cb 0.51 -0.50 0.00 0.00 -0.31 0.00 0.00 39.34 39.04 3dqz n TYR 14 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 3dqz n HIS 15 N -2.00 0.00 -3.42 -0.72 8.25 -1.17 -1.74 115.22 114.42 3dqz n HIS 15 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.44 3dqz n HIS 15 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 3dqz n HIS 15 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dqz n GLY 16 N 3.41 2.40 0.31 -1.41 0.00 -1.26 -3.23 105.19 105.41 3dqz n GLY 16 Ca 0.00 -1.25 0.15 0.00 0.00 0.00 0.00 46.02 44.92 3dqz n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dqz h ALA 17 N 1.76 1.78 0.00 4.61 0.00 -1.89 -2.68 119.26 122.83 3dqz h ALA 17 Ca -0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3dqz h ALA 17 Cb 0.23 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3dqz h ALA 17 CO 0.08 -0.15 0.15 0.11 0.00 0.00 0.00 179.25 179.43 3dqz h TRP 18 N 0.00 0.00 0.00 0.00 5.08 -1.95 -1.68 115.95 117.41 3dqz h TRP 18 Ca 0.05 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.02 3dqz h TRP 18 Cb 0.25 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.41 3dqz h TRP 18 CO 0.00 0.00 0.00 -0.84 -1.28 0.00 0.00 178.44 176.32 3dqz h ILE 19 N 0.00 0.00 -0.48 0.12 3.07 -1.91 -2.83 117.51 115.49 3dqz h ILE 19 Ca 0.00 -0.32 0.00 0.00 1.55 0.00 0.00 64.86 66.09 3dqz h ILE 19 Cb 0.29 1.22 0.00 0.00 -0.27 0.00 0.00 36.82 38.06 3dqz h ILE 19 CO 0.00 0.00 0.00 0.79 -1.05 0.00 0.00 178.15 177.89 3dqz n TRP 20 N -2.84 1.42 0.27 0.16 7.02 -0.63 -4.49 117.44 118.34 3dqz n TRP 20 Ca 0.00 -0.52 0.16 0.00 -1.02 0.00 0.00 57.50 56.12 3dqz n TRP 20 Cb 0.23 -0.32 0.59 0.00 -2.42 0.00 0.00 31.31 29.39 3dqz n TRP 20 CO 0.00 0.00 0.00 0.10 -2.02 0.00 0.00 177.69 175.77 3dqz h TYR 21 N 3.16 0.00 0.08 -5.99 -0.00 -1.71 -0.29 116.97 112.22 3dqz h TYR 21 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 58.73 58.38 3dqz h TYR 21 Cb 1.44 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 38.14 3dqz h TYR 21 CO 0.74 0.01 -1.97 1.63 -0.00 0.00 0.00 178.16 178.57 3dqz n LYS 22 N -3.10 0.72 0.09 0.10 5.02 -1.26 -4.44 118.16 115.28 3dqz n LYS 22 Ca 0.01 0.26 -0.19 0.00 -2.02 0.00 0.00 58.31 56.36 3dqz n LYS 22 Cb 0.35 -1.71 -0.11 0.00 -0.02 0.00 0.00 35.03 33.53 3dqz n LYS 22 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3dqz h LEU 23 N 0.05 0.74 -0.21 -0.35 5.85 -1.72 -3.30 115.31 116.37 3dqz h LEU 23 Ca -0.40 -0.68 0.05 0.00 0.84 0.00 0.00 57.88 57.69 3dqz h LEU 23 Cb 2.03 -0.23 -0.05 0.00 0.37 0.00 0.00 40.66 42.77 3dqz h LEU 23 CO 0.07 1.49 -0.13 0.50 -0.34 0.00 0.00 178.44 180.03 3dqz h LYS 24 N 0.24 -0.12 -0.06 1.25 3.64 -1.27 -1.21 116.57 119.05 3dqz h LYS 24 Ca -0.16 0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.17 3dqz h LYS 24 Cb 1.85 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 3dqz h LYS 24 CO 0.22 -0.08 -0.27 -1.00 -2.27 0.00 0.00 179.45 176.05 3dqz h PRO 25 N -0.13 0.11 -0.05 1.90 0.13 -1.78 -0.82 132.00 131.36 3dqz h PRO 25 Ca 0.12 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3dqz h PRO 25 Cb 0.31 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 3dqz h PRO 25 CO -0.29 0.37 0.02 -0.07 -0.23 0.00 0.00 178.00 177.80 3dqz h LEU 26 N 0.10 0.08 0.57 1.56 3.38 -1.44 0.18 115.31 119.73 3dqz h LEU 26 Ca 0.02 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 3dqz h LEU 26 Cb 0.53 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.26 3dqz h LEU 26 CO 0.04 0.23 -0.32 -0.07 0.09 0.00 0.00 178.44 178.40 3dqz h LEU 27 N -0.08 -0.79 -1.89 1.67 3.38 -1.17 -2.72 115.31 113.72 3dqz h LEU 27 Ca 0.02 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dqz h LEU 27 Cb 0.18 0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 3dqz h LEU 27 CO -0.00 -0.52 0.02 -0.33 0.09 0.00 0.00 178.44 177.70 3dqz h GLU 28 N -0.83 0.09 0.00 1.13 5.08 -1.12 0.05 114.58 118.98 3dqz h GLU 28 Ca -0.07 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 3dqz h GLU 28 Cb 0.67 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 3dqz h GLU 28 CO 0.09 0.08 -0.20 1.03 -1.00 0.00 0.00 179.01 179.01 3dqz h SER 29 N 0.09 0.00 0.19 1.42 0.87 -0.52 -1.62 113.55 113.98 3dqz h SER 29 Ca 0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.58 3dqz h SER 29 Cb 0.03 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.99 3dqz h SER 29 CO -0.00 0.20 -0.09 0.00 -0.53 0.00 0.00 176.83 176.41 3dqz n ALA 30 N -2.21 2.76 -0.26 6.23 0.00 -0.03 -4.92 120.51 122.08 3dqz n ALA 30 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.11 3dqz n ALA 30 Cb 0.41 -1.28 0.00 0.00 0.00 0.00 0.00 19.45 18.58 3dqz n ALA 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dqz n GLY 31 N 1.22 0.85 3.90 0.00 0.00 -0.61 -4.99 105.19 105.56 3dqz n GLY 31 Ca 0.17 -0.19 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3dqz n GLY 31 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqz s HIS 32 N -2.00 3.46 0.08 1.61 3.76 -1.01 -4.62 115.29 116.57 3dqz s HIS 32 Ca 0.00 0.64 -0.22 0.00 -0.15 0.00 0.00 55.06 55.33 3dqz s HIS 32 Cb 0.00 -2.08 -0.07 0.00 1.11 0.00 0.00 32.58 31.54 3dqz s HIS 32 CO 0.00 0.31 0.65 0.50 -0.85 0.00 0.00 174.74 175.35 3dqz s ARG 33 N -3.02 4.35 -0.05 1.40 3.52 -0.18 -3.72 118.95 121.26 3dqz s ARG 33 Ca 0.43 0.88 0.03 0.00 -0.13 0.00 0.00 55.73 56.95 3dqz s ARG 33 Cb -0.11 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.00 3dqz s ARG 33 CO 0.26 0.53 -0.14 0.08 -0.81 0.00 0.00 175.30 175.21 3dqz s VAL 34 N -0.81 1.21 -0.20 7.11 1.01 -1.26 -0.33 120.40 127.13 3dqz s VAL 34 Ca 0.32 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.74 3dqz s VAL 34 Cb -0.20 -1.06 0.04 0.00 0.00 0.00 0.00 36.38 35.16 3dqz s VAL 34 CO 0.21 0.36 -0.10 -0.89 0.00 0.00 0.00 175.10 174.68 3dqz s THR 35 N 0.25 1.62 -0.61 3.92 2.01 0.18 -4.98 115.64 118.03 3dqz s THR 35 Ca -0.07 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.77 3dqz s THR 35 Cb -0.12 -1.71 0.15 0.00 0.01 0.00 0.00 72.50 70.83 3dqz s THR 35 CO 0.02 0.15 0.58 0.00 -0.69 0.00 0.00 174.62 174.69 3dqz s ALA 36 N 1.40 3.71 0.32 7.40 0.00 -1.26 -0.11 121.76 133.23 3dqz s ALA 36 Ca -0.01 -2.67 -0.29 0.00 0.00 0.00 0.00 51.96 48.98 3dqz s ALA 36 Cb -0.16 -3.36 -0.10 0.00 0.00 0.00 0.00 23.12 19.50 3dqz s ALA 36 CO -0.08 -2.12 1.34 0.08 0.00 0.00 0.00 175.76 174.98 3dqz s VAL 37 N 1.42 2.66 -0.39 0.00 1.01 -0.69 -4.86 120.40 119.56 3dqz s VAL 37 Ca 0.07 0.65 -0.08 0.00 0.00 0.00 0.00 61.98 62.63 3dqz s VAL 37 Cb -0.25 -3.41 0.07 0.00 0.00 0.00 0.00 36.38 32.79 3dqz s VAL 37 CO 0.01 0.15 0.20 -0.70 0.00 0.00 0.00 175.10 174.76 3dqz s GLU 38 N -1.61 2.54 1.08 2.72 2.56 -1.26 -4.28 118.70 120.45 3dqz s GLU 38 Ca 0.51 -1.41 -0.15 0.00 0.00 0.00 0.00 54.97 53.92 3dqz s GLU 38 Cb -0.41 -3.65 0.23 0.00 2.00 0.00 0.00 34.13 32.30 3dqz s GLU 38 CO 0.52 -0.87 1.10 -0.51 -0.56 0.00 0.00 175.26 174.94 3dqz s LEU 39 N 1.39 1.21 0.46 2.70 1.43 -1.26 -4.79 118.68 119.82 3dqz s LEU 39 Ca 0.02 0.96 -0.23 0.00 -1.03 0.00 0.00 54.13 53.85 3dqz s LEU 39 Cb -0.22 -2.95 -0.07 0.00 0.03 0.00 0.00 46.19 42.97 3dqz s LEU 39 CO 0.02 -3.55 1.15 0.00 0.23 0.00 0.00 176.35 174.19 3dqz s ALA 40 N -2.98 2.95 -1.68 4.21 0.00 -0.88 -2.73 121.76 120.65 3dqz s ALA 40 Ca 0.68 0.89 0.00 0.00 0.00 0.00 0.00 51.96 53.52 3dqz s ALA 40 Cb -0.15 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.60 3dqz s ALA 40 CO 0.57 -0.61 0.00 0.00 0.00 0.00 0.00 175.76 175.72 3dqz n ALA 41 N -0.56 -0.24 -2.43 0.00 0.00 -1.25 -4.91 120.51 111.12 3dqz n ALA 41 Ca 0.08 0.26 -0.32 0.00 0.00 0.00 0.00 53.44 53.46 3dqz n ALA 41 Cb 0.49 -1.82 -0.14 0.00 0.00 0.00 0.00 19.45 17.98 3dqz n ALA 41 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3dqz s SER 42 N -2.49 3.72 1.96 0.00 0.01 -1.10 -4.69 113.70 111.11 3dqz s SER 42 Ca 0.00 -0.34 0.00 0.00 1.31 0.00 0.00 55.95 56.92 3dqz s SER 42 Cb 0.00 -0.64 0.00 0.00 0.21 0.00 0.00 66.02 65.59 3dqz s SER 42 CO 0.00 0.31 0.00 0.61 0.41 0.00 0.00 173.24 174.57 3dqz n GLY 43 N 2.06 4.10 1.45 3.44 0.00 -1.20 -1.13 105.19 113.91 3dqz n GLY 43 Ca -0.17 0.07 0.07 0.00 0.00 0.00 0.00 46.02 45.99 3dqz n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dqz n ILE 44 N 0.00 1.79 -1.87 -0.61 -5.35 -1.26 -4.92 119.36 107.14 3dqz n ILE 44 Ca 0.00 -1.01 -0.42 0.00 -0.27 0.00 0.00 62.75 61.05 3dqz n ILE 44 Cb 0.00 -0.13 -0.03 0.00 -1.74 0.00 0.00 39.64 37.74 3dqz n ILE 44 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3dqz s ASP 45 N -0.72 6.53 0.21 7.28 2.15 -0.28 -4.89 116.67 126.95 3dqz s ASP 45 Ca 0.42 2.66 0.20 0.00 0.43 0.00 0.00 52.55 56.26 3dqz s ASP 45 Cb 0.29 -2.59 0.89 0.00 -0.30 0.00 0.00 42.92 41.21 3dqz s ASP 45 CO 0.16 -0.88 1.61 -0.81 -0.17 0.00 0.00 175.17 175.08 3dqz n PRO 46 N 4.37 0.14 -2.83 4.34 -0.04 -1.26 -4.55 135.00 135.16 3dqz n PRO 46 Ca 0.15 0.44 -0.40 0.00 -0.04 0.00 0.00 63.50 63.64 3dqz n PRO 46 Cb 0.38 -1.80 -0.05 0.00 -0.04 0.00 0.00 33.50 31.99 3dqz n PRO 46 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 3dqz s ARG 47 N -3.28 4.63 0.81 0.54 0.52 -1.26 -5.04 118.95 115.87 3dqz s ARG 47 Ca 0.03 1.31 -0.10 0.00 -0.52 0.00 0.00 55.73 56.44 3dqz s ARG 47 Cb 0.08 -3.36 0.08 0.00 0.52 0.00 0.00 34.95 32.28 3dqz s ARG 47 CO 0.31 0.28 1.10 -2.14 0.02 0.00 0.00 175.30 174.87 3dqz s PRO 48 N -0.17 1.89 0.47 3.54 0.02 -1.26 -3.89 135.00 135.60 3dqz s PRO 48 Ca 0.43 1.24 0.25 0.00 0.02 0.00 0.00 61.00 62.93 3dqz s PRO 48 Cb -0.23 -1.85 1.16 0.00 0.02 0.00 0.00 34.50 33.60 3dqz s PRO 48 CO 0.27 -1.92 1.94 0.97 -0.33 0.00 0.00 177.00 177.93 3dqz h ILE 49 N -1.34 0.63 0.00 2.83 6.09 -1.83 -2.17 117.51 121.72 3dqz h ILE 49 Ca -0.44 -0.87 -0.01 0.00 -1.37 0.00 0.00 64.86 62.17 3dqz h ILE 49 Cb 1.24 1.56 -0.00 0.00 0.47 0.00 0.00 36.82 40.09 3dqz h ILE 49 CO 0.49 0.19 -0.04 1.56 -3.07 0.00 0.00 178.15 177.28 3dqz h GLN 50 N 0.00 0.00 -0.01 2.19 7.50 -1.95 -1.87 115.11 120.98 3dqz h GLN 50 Ca -0.00 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.15 3dqz h GLN 50 Cb 0.55 0.00 0.00 0.00 0.05 0.00 0.00 27.48 28.08 3dqz h GLN 50 CO 0.03 0.04 -0.21 0.00 -1.50 0.00 0.00 178.83 177.18 3dqz n ALA 51 N -2.14 2.97 -3.88 3.87 0.00 -0.82 -4.60 120.51 115.92 3dqz n ALA 51 Ca -0.01 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.76 3dqz n ALA 51 Cb 0.24 -1.22 -0.13 0.00 0.00 0.00 0.00 19.45 18.34 3dqz n ALA 51 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3dqz s VAL 52 N -2.55 2.91 -0.58 0.00 1.01 -0.70 -4.97 120.40 115.52 3dqz s VAL 52 Ca 0.25 -2.73 0.23 0.00 0.00 0.00 0.00 61.98 59.73 3dqz s VAL 52 Cb 0.19 -3.01 -0.08 0.00 0.00 0.00 0.00 36.38 33.49 3dqz s VAL 52 CO 0.52 -0.74 1.07 -0.62 0.00 0.00 0.00 175.10 175.33 3dqz n GLU 53 N 3.79 0.32 -4.23 2.72 1.02 -1.26 -4.91 120.64 118.10 3dqz n GLU 53 Ca 0.04 0.02 -0.19 0.00 -0.02 0.00 0.00 57.16 57.01 3dqz n GLU 53 Cb 0.38 -1.62 -0.12 0.00 -0.02 0.00 0.00 31.44 30.06 3dqz n GLU 53 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3dqz s THR 54 N -3.21 1.32 0.45 2.62 -4.23 -1.26 -4.89 115.64 106.44 3dqz s THR 54 Ca 0.04 -1.56 0.11 0.00 -1.18 0.00 0.00 61.69 59.09 3dqz s THR 54 Cb 0.14 -1.39 0.24 0.00 1.34 0.00 0.00 72.50 72.83 3dqz s THR 54 CO 0.79 -0.30 2.06 1.62 -0.54 0.00 0.00 174.62 178.24 3dqz h VAL 55 N 3.84 1.08 -0.55 2.29 3.04 -1.90 -2.05 116.25 122.00 3dqz h VAL 55 Ca -0.41 -0.25 0.02 0.00 -1.01 0.00 0.00 66.70 65.05 3dqz h VAL 55 Cb 1.19 0.83 -0.03 0.00 -2.01 0.00 0.00 31.29 31.27 3dqz h VAL 55 CO 0.46 0.10 0.34 0.44 -1.01 0.00 0.00 177.57 177.89 3dqz h ASP 56 N 0.28 0.56 -0.57 3.17 3.32 -1.98 -0.95 116.42 120.26 3dqz h ASP 56 Ca 0.07 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.08 3dqz h ASP 56 Cb 0.05 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3dqz h ASP 56 CO -0.01 0.40 0.20 -0.33 -1.72 0.00 0.00 179.24 177.77 3dqz h GLU 57 N 0.68 0.87 -0.73 3.56 5.08 -1.81 -1.66 114.58 120.56 3dqz h GLU 57 Ca 0.22 -0.18 0.10 0.00 -1.00 0.00 0.00 59.36 58.50 3dqz h GLU 57 Cb -0.00 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.04 3dqz h GLU 57 CO -0.08 0.77 0.37 -0.92 -1.00 0.00 0.00 179.01 178.15 3dqz h TYR 58 N 0.79 0.66 -0.00 4.33 3.20 -0.89 -2.53 116.97 122.52 3dqz h TYR 58 Ca 0.19 0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3dqz h TYR 58 Cb 0.25 -0.19 0.00 0.00 1.54 0.00 0.00 36.73 38.34 3dqz h TYR 58 CO 0.01 0.23 -0.31 0.43 -1.64 0.00 0.00 178.16 176.89 3dqz n SER 59 N -4.86 0.43 -0.29 -2.11 7.64 -0.41 -2.07 113.62 111.95 3dqz n SER 59 Ca 0.12 -0.17 0.11 0.00 1.01 0.00 0.00 58.87 59.94 3dqz n SER 59 Cb 0.29 0.02 0.26 0.00 -1.01 0.00 0.00 64.21 63.76 3dqz n SER 59 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 3dqz h LYS 60 N 0.19 0.15 -0.72 1.43 3.64 -0.85 0.35 116.57 120.75 3dqz h LYS 60 Ca 0.00 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.43 3dqz h LYS 60 Cb 0.48 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.22 3dqz h LYS 60 CO 0.00 0.10 0.48 -1.35 -2.27 0.00 0.00 179.45 176.40 3dqz h PRO 61 N 0.15 0.76 0.05 1.90 0.11 -1.80 0.28 132.00 133.45 3dqz h PRO 61 Ca 0.52 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 66.59 3dqz h PRO 61 Cb 1.03 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.97 3dqz h PRO 61 CO -0.69 0.50 -0.02 1.25 -0.21 0.00 0.00 178.00 178.83 3dqz h LEU 62 N 0.78 -0.05 -1.13 2.35 5.85 -0.65 -0.94 115.31 121.51 3dqz h LEU 62 Ca 0.31 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.80 3dqz h LEU 62 Cb 0.21 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3dqz h LEU 62 CO -0.10 0.26 0.59 0.40 -0.34 0.00 0.00 178.44 179.26 3dqz h ILE 63 N -0.38 1.08 -0.39 4.05 5.03 -1.06 -1.94 117.51 123.90 3dqz h ILE 63 Ca -0.01 -0.36 -0.10 0.00 -0.12 0.00 0.00 64.86 64.27 3dqz h ILE 63 Cb 0.34 -0.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.05 3dqz h ILE 63 CO 0.01 0.19 -0.19 -0.08 -0.68 0.00 0.00 178.15 177.41 3dqz h GLU 64 N 1.06 0.74 -0.46 2.37 4.57 -0.33 0.12 114.58 122.64 3dqz h GLU 64 Ca 0.39 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 3dqz h GLU 64 Cb 0.17 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.69 3dqz h GLU 64 CO -0.14 0.87 0.20 1.15 -1.18 0.00 0.00 179.01 179.91 3dqz h THR 65 N 0.65 1.20 -0.17 0.32 2.02 -0.44 -2.48 112.91 114.01 3dqz h THR 65 Ca 0.10 -0.59 -0.19 0.00 0.77 0.00 0.00 66.41 66.50 3dqz h THR 65 Cb 0.68 0.74 -0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3dqz h THR 65 CO 0.05 0.22 -0.65 -0.07 0.37 0.00 0.00 175.52 175.44 3dqz h LEU 66 N 0.59 0.73 -0.45 2.58 3.38 -1.25 -3.14 115.31 117.75 3dqz h LEU 66 Ca 0.15 -0.44 0.07 0.00 0.09 0.00 0.00 57.88 57.75 3dqz h LEU 66 Cb 0.16 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3dqz h LEU 66 CO -0.02 1.19 0.13 0.50 0.09 0.00 0.00 178.44 180.34 3dqz h LYS 67 N 0.46 0.28 -0.71 1.13 3.64 -0.65 -2.29 116.57 118.44 3dqz h LYS 67 Ca -0.02 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 3dqz h LYS 67 Cb 1.24 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3dqz h LYS 67 CO 0.13 0.18 0.00 -1.13 -2.27 0.00 0.00 179.45 176.36 3dqz n SER 68 N -5.05 3.63 -4.75 4.20 3.41 -0.94 -4.92 113.62 109.20 3dqz n SER 68 Ca 0.04 -2.48 -0.41 0.00 -0.26 0.00 0.00 58.87 55.77 3dqz n SER 68 Cb 0.19 -0.57 -0.04 0.00 -0.26 0.00 0.00 64.21 63.53 3dqz n SER 68 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3dqz s LEU 69 N -1.55 4.54 0.09 1.04 2.96 -0.86 -4.95 118.68 119.94 3dqz s LEU 69 Ca 0.32 2.14 -0.36 0.00 -0.22 0.00 0.00 54.13 56.01 3dqz s LEU 69 Cb 0.24 -3.61 -0.17 0.00 0.50 0.00 0.00 46.19 43.14 3dqz s LEU 69 CO 0.11 -0.13 1.27 -2.65 -1.32 0.00 0.00 176.35 173.62 3dqz n PRO 70 N 1.76 1.00 -2.36 0.98 -0.02 -1.26 -4.84 135.00 130.26 3dqz n PRO 70 Ca 0.00 0.36 -0.41 0.00 -2.02 0.00 0.00 63.50 61.44 3dqz n PRO 70 Cb 0.46 -1.95 -0.04 0.00 -0.02 0.00 0.00 33.50 31.95 3dqz n PRO 70 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3dqz s GLU 71 N 0.26 4.53 0.00 -0.52 2.02 -1.26 -2.01 118.70 121.72 3dqz s GLU 71 Ca 0.83 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.74 3dqz s GLU 71 Cb -0.97 -3.18 0.00 0.00 0.10 0.00 0.00 34.13 30.08 3dqz s GLU 71 CO 0.49 0.03 0.00 0.09 0.02 0.00 0.00 175.26 175.89 3dqz n ASN 72 N 1.51 0.00 -4.76 -0.19 3.02 -1.26 -5.06 115.26 108.52 3dqz n ASN 72 Ca 0.01 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.16 3dqz n ASN 72 Cb 0.44 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.55 3dqz n ASN 72 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqz s GLU 73 N -0.41 4.81 0.08 3.52 2.12 -0.85 -5.07 118.70 122.90 3dqz s GLU 73 Ca 0.00 1.44 0.09 0.00 0.36 0.00 0.00 54.97 56.86 3dqz s GLU 73 Cb 0.00 -3.25 -0.03 0.00 0.26 0.00 0.00 34.13 31.11 3dqz s GLU 73 CO 0.00 0.51 -0.23 -1.21 -0.54 0.00 0.00 175.26 173.79 3dqz s GLU 74 N -1.24 1.36 0.34 4.30 2.02 -1.26 -4.64 118.70 119.59 3dqz s GLU 74 Ca 0.41 -1.13 0.08 0.00 0.02 0.00 0.00 54.97 54.35 3dqz s GLU 74 Cb -0.25 -1.62 -0.07 0.00 0.10 0.00 0.00 34.13 32.29 3dqz s GLU 74 CO 0.31 0.40 -0.06 0.14 0.02 0.00 0.00 175.26 176.07 3dqz s VAL 75 N -0.98 1.98 -0.44 2.63 -7.23 0.23 -4.55 120.40 112.03 3dqz s VAL 75 Ca 0.09 -2.13 -0.16 0.00 -1.81 0.00 0.00 61.98 57.96 3dqz s VAL 75 Cb -0.10 -2.67 0.04 0.00 0.56 0.00 0.00 36.38 34.21 3dqz s VAL 75 CO 0.04 -0.18 0.41 -0.63 -0.31 0.00 0.00 175.10 174.43 3dqz s ILE 76 N -2.77 5.15 -0.38 -0.62 1.01 -0.40 -1.42 121.20 121.77 3dqz s ILE 76 Ca 0.32 -0.65 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 3dqz s ILE 76 Cb 0.05 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.46 3dqz s ILE 76 CO 0.16 -0.48 0.49 -0.22 0.00 0.00 0.00 174.94 174.89 3dqz s LEU 77 N 1.92 4.50 -0.30 2.97 2.96 -0.65 -1.09 118.68 129.00 3dqz s LEU 77 Ca 0.08 -0.25 -0.10 0.00 -0.22 0.00 0.00 54.13 53.64 3dqz s LEU 77 Cb -0.20 -2.52 -0.02 0.00 0.50 0.00 0.00 46.19 43.95 3dqz s LEU 77 CO 0.10 -0.52 0.16 -0.69 -1.32 0.00 0.00 176.35 174.09 3dqz s VAL 78 N 2.33 4.82 -0.26 1.68 1.01 0.58 -0.21 120.40 130.36 3dqz s VAL 78 Ca 0.16 -0.20 -0.05 0.00 0.00 0.00 0.00 61.98 61.89 3dqz s VAL 78 Cb -0.16 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.84 3dqz s VAL 78 CO 0.14 0.15 0.01 -0.83 0.00 0.00 0.00 175.10 174.57 3dqz s GLY 79 N 1.67 1.70 -0.25 4.51 0.00 0.03 -0.28 107.32 114.70 3dqz s GLY 79 Ca 0.06 -1.32 -0.12 0.00 0.00 0.00 0.00 44.72 43.34 3dqz s GLY 79 CO 0.08 0.54 0.22 -0.12 0.00 0.00 0.00 173.10 173.82 3dqz s PHE 80 N 1.47 3.30 0.00 1.90 5.36 -0.41 -1.60 117.98 128.00 3dqz s PHE 80 Ca 0.04 0.28 0.00 0.00 -0.96 0.00 0.00 56.93 56.29 3dqz s PHE 80 Cb -0.16 -2.36 0.00 0.00 -0.34 0.00 0.00 43.02 40.16 3dqz s PHE 80 CO -0.01 -0.02 0.00 0.45 -1.46 0.00 0.00 175.22 174.18 3dqz n SER 81 N 4.58 0.00 0.02 6.13 2.88 -0.86 -0.18 113.62 126.18 3dqz n SER 81 Ca -0.13 0.00 0.09 0.00 -1.33 0.00 0.00 58.87 57.50 3dqz n SER 81 Cb 0.52 0.00 0.38 0.00 -0.75 0.00 0.00 64.21 64.35 3dqz n SER 81 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 3dqz n PHE 82 N 2.57 0.13 0.33 0.66 7.35 -1.26 -0.54 117.46 126.70 3dqz n PHE 82 Ca 0.00 0.05 0.10 0.00 -0.76 0.00 0.00 57.45 56.84 3dqz n PHE 82 Cb 0.00 -0.58 0.46 0.00 0.35 0.00 0.00 39.48 39.71 3dqz n PHE 82 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 3dqz n GLY 83 N 0.22 -1.09 0.28 7.13 0.00 0.75 -2.17 105.19 110.31 3dqz n GLY 83 Ca 0.04 0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 3dqz n GLY 83 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3dqz h GLY 84 N 1.61 1.05 0.97 -0.02 0.00 -1.57 -1.22 103.07 103.88 3dqz h GLY 84 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 47.33 46.36 3dqz h GLY 84 CO 0.00 0.84 0.11 -2.22 0.00 0.00 0.00 176.54 175.27 3dqz h ILE 85 N 0.83 1.24 -0.48 2.60 5.03 -1.52 -2.42 117.51 122.79 3dqz h ILE 85 Ca 0.11 -0.84 0.06 0.00 -0.12 0.00 0.00 64.86 64.07 3dqz h ILE 85 Cb 0.79 0.89 -0.05 0.00 -3.03 0.00 0.00 36.82 35.41 3dqz h ILE 85 CO 0.07 0.30 0.17 0.78 -0.68 0.00 0.00 178.15 178.79 3dqz h ASN 86 N 0.63 0.18 0.02 1.72 -0.26 -1.44 -0.31 115.58 116.12 3dqz h ASN 86 Ca 0.15 0.06 -0.18 0.00 -0.56 0.00 0.00 56.30 55.76 3dqz h ASN 86 Cb 0.34 0.04 -0.00 0.00 -1.06 0.00 0.00 38.32 37.63 3dqz h ASN 86 CO 0.00 0.13 -0.63 0.16 -1.06 0.00 0.00 177.43 176.03 3dqz h ILE 87 N 0.35 1.32 -0.57 2.81 3.07 -1.20 -1.09 117.51 122.20 3dqz h ILE 87 Ca 0.23 -1.90 0.03 0.00 1.55 0.00 0.00 64.86 64.77 3dqz h ILE 87 Cb 0.23 1.87 -0.04 0.00 -0.27 0.00 0.00 36.82 38.61 3dqz h ILE 87 CO -0.23 0.59 0.33 0.00 -1.05 0.00 0.00 178.15 177.79 3dqz h ALA 88 N 0.86 0.75 -0.18 0.16 0.00 -1.19 0.28 119.26 119.94 3dqz h ALA 88 Ca -0.01 -0.00 0.05 0.00 0.00 0.00 0.00 54.91 54.95 3dqz h ALA 88 Cb 1.21 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.80 3dqz h ALA 88 CO 0.12 0.04 -0.19 -0.07 0.00 0.00 0.00 179.25 179.15 3dqz h LEU 89 N 0.65 -0.59 -0.95 0.00 4.07 -0.79 -2.47 115.31 115.23 3dqz h LEU 89 Ca 0.24 0.11 -0.06 0.00 0.08 0.00 0.00 57.88 58.25 3dqz h LEU 89 Cb 0.07 0.28 -0.02 0.00 1.08 0.00 0.00 40.66 42.07 3dqz h LEU 89 CO -0.12 -0.23 0.07 0.00 -1.08 0.00 0.00 178.44 177.08 3dqz h ALA 90 N 0.85 1.14 0.00 1.53 0.00 -0.68 -2.73 119.26 119.36 3dqz h ALA 90 Ca 0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 3dqz h ALA 90 Cb 0.38 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3dqz h ALA 90 CO -0.31 0.57 -0.14 0.00 0.00 0.00 0.00 179.25 179.37 3dqz h ALA 91 N 1.28 1.11 -0.00 0.00 0.00 -0.22 0.11 119.26 121.53 3dqz h ALA 91 Ca 0.17 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.95 3dqz h ALA 91 Cb 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3dqz h ALA 91 CO 0.01 0.18 -0.21 -3.47 0.00 0.00 0.00 179.25 175.76 3dqz n ASP 92 N -3.42 0.24 -0.10 0.00 2.03 -0.95 -2.20 116.55 112.15 3dqz n ASP 92 Ca -0.01 0.10 -0.21 0.00 0.52 0.00 0.00 54.79 55.19 3dqz n ASP 92 Cb 0.32 -0.16 -0.08 0.00 -0.72 0.00 0.00 41.12 40.48 3dqz n ASP 92 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 3dqz n ILE 93 N -1.45 1.12 -2.84 5.18 5.41 -0.75 -4.71 119.36 121.32 3dqz n ILE 93 Ca 0.07 -0.31 -0.26 0.00 1.00 0.00 0.00 62.75 63.25 3dqz n ILE 93 Cb 0.33 -1.67 -0.03 0.00 -0.71 0.00 0.00 39.64 37.56 3dqz n ILE 93 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3dqz n PHE 94 N -3.77 3.48 0.17 1.39 3.72 -0.05 -4.91 117.46 117.49 3dqz n PHE 94 Ca -0.39 -3.73 0.15 0.00 -0.05 0.00 0.00 57.45 53.43 3dqz n PHE 94 Cb 0.80 -0.38 0.74 0.00 -0.94 0.00 0.00 39.48 39.71 3dqz n PHE 94 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3dqz h PRO 95 N 2.89 0.00 -0.00 -1.08 0.13 -1.64 -1.58 132.00 130.71 3dqz h PRO 95 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 3dqz h PRO 95 Cb 0.67 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.80 3dqz h PRO 95 CO 0.79 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 178.32 3dqz n ALA 96 N -2.48 2.98 1.19 -0.56 0.00 -1.26 -2.99 120.51 117.40 3dqz n ALA 96 Ca 0.02 -0.27 0.12 0.00 0.00 0.00 0.00 53.44 53.31 3dqz n ALA 96 Cb 0.32 -1.27 0.38 0.00 0.00 0.00 0.00 19.45 18.88 3dqz n ALA 96 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dqz n LYS 97 N -1.25 1.86 -3.89 0.00 5.02 -0.59 -4.79 118.16 114.52 3dqz n LYS 97 Ca 0.09 -1.28 -0.30 0.00 -2.02 0.00 0.00 58.31 54.80 3dqz n LYS 97 Cb 0.32 -1.44 -0.16 0.00 -0.02 0.00 0.00 35.03 33.73 3dqz n LYS 97 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3dqz s ILE 98 N -1.85 1.37 0.01 -0.18 1.01 -1.16 -0.60 121.20 119.80 3dqz s ILE 98 Ca 0.34 -1.23 -0.26 0.00 0.00 0.00 0.00 60.65 59.51 3dqz s ILE 98 Cb 0.20 -1.74 -0.15 0.00 0.01 0.00 0.00 42.46 40.77 3dqz s ILE 98 CO 0.30 -0.22 1.16 0.50 0.00 0.00 0.00 174.94 176.68 3dqz h LYS 99 N 7.99 -0.71 -4.12 2.79 1.63 -1.52 -3.44 116.57 119.20 3dqz h LYS 99 Ca -0.16 0.05 -0.35 0.00 -0.85 0.00 0.00 60.65 59.34 3dqz h LYS 99 Cb 1.07 0.16 -0.31 0.00 -0.60 0.00 0.00 32.23 32.55 3dqz h LYS 99 CO 0.42 -0.40 -0.76 0.54 -3.45 0.00 0.00 179.45 175.80 3dqz s VAL 100 N -4.68 0.39 -0.13 2.00 0.11 -1.23 -3.54 120.40 113.32 3dqz s VAL 100 Ca -0.14 -0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.58 3dqz s VAL 100 Cb 0.02 -0.38 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 3dqz s VAL 100 CO 0.47 0.14 0.52 -0.76 -3.33 0.00 0.00 175.10 172.14 3dqz s LEU 101 N 0.34 4.25 -0.35 2.54 1.43 0.14 -1.64 118.68 125.38 3dqz s LEU 101 Ca -0.04 0.84 -0.05 0.00 -1.03 0.00 0.00 54.13 53.84 3dqz s LEU 101 Cb -0.07 -2.75 0.06 0.00 0.03 0.00 0.00 46.19 43.45 3dqz s LEU 101 CO -0.00 -0.06 0.12 -0.69 0.23 0.00 0.00 176.35 175.95 3dqz s VAL 102 N 0.88 3.63 -0.58 -1.59 1.01 0.71 -1.20 120.40 123.26 3dqz s VAL 102 Ca 0.27 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.68 3dqz s VAL 102 Cb -0.15 -3.15 0.06 0.00 0.00 0.00 0.00 36.38 33.14 3dqz s VAL 102 CO 0.11 -0.29 0.84 -0.36 0.00 0.00 0.00 175.10 175.41 3dqz s PHE 103 N 1.34 2.84 -0.42 5.22 0.40 -0.70 -0.79 117.98 125.87 3dqz s PHE 103 Ca -0.00 -0.42 -0.17 0.00 -0.60 0.00 0.00 56.93 55.74 3dqz s PHE 103 Cb -0.21 -4.01 0.02 0.00 0.51 0.00 0.00 43.02 39.34 3dqz s PHE 103 CO 0.01 -1.36 0.42 -1.17 0.70 0.00 0.00 175.22 173.81 3dqz s LEU 104 N 3.52 4.87 -1.44 -0.37 2.96 -0.63 -0.59 118.68 127.00 3dqz s LEU 104 Ca 0.22 -0.67 -0.18 0.00 -0.22 0.00 0.00 54.13 53.27 3dqz s LEU 104 Cb -0.17 -2.36 0.18 0.00 0.50 0.00 0.00 46.19 44.34 3dqz s LEU 104 CO 0.13 -0.55 0.46 0.59 -1.32 0.00 0.00 176.35 175.65 3dqz n ASN 105 N 5.54 -1.63 -4.91 3.68 3.02 0.13 -2.03 115.26 119.06 3dqz n ASN 105 Ca -0.08 -0.83 -0.21 0.00 -0.03 0.00 0.00 54.58 53.43 3dqz n ASN 105 Cb 0.47 -1.46 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 3dqz n ASN 105 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqz s ALA 106 N -2.95 3.93 -0.09 5.41 0.00 -1.26 -3.05 121.76 123.74 3dqz s ALA 106 Ca 0.64 -1.47 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3dqz s ALA 106 Cb -0.37 -1.45 -0.02 0.00 0.00 0.00 0.00 23.12 21.28 3dqz s ALA 106 CO 0.78 0.09 1.10 -0.06 0.00 0.00 0.00 175.76 177.67 3dqz s PHE 107 N -2.17 3.34 -0.55 0.00 0.08 0.30 -4.84 117.98 114.13 3dqz s PHE 107 Ca 0.39 1.40 -0.11 0.00 0.12 0.00 0.00 56.93 58.73 3dqz s PHE 107 Cb -0.08 -3.31 0.14 0.00 -0.57 0.00 0.00 43.02 39.21 3dqz s PHE 107 CO 0.28 -0.76 0.46 -1.17 -0.10 0.00 0.00 175.22 173.92 3dqz s LEU 108 N 2.24 5.96 0.58 -0.37 2.96 -1.26 -3.74 118.68 125.04 3dqz s LEU 108 Ca 0.51 -2.06 -0.16 0.00 -0.22 0.00 0.00 54.13 52.21 3dqz s LEU 108 Cb -0.21 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 3dqz s LEU 108 CO 0.19 -0.70 1.04 -2.16 -1.32 0.00 0.00 176.35 173.40 3dqz s PRO 109 N 1.16 3.44 0.00 0.98 0.05 -1.26 -4.90 135.00 134.47 3dqz s PRO 109 Ca 0.07 1.14 0.00 0.00 0.05 0.00 0.00 61.00 62.26 3dqz s PRO 109 Cb -0.25 -2.05 0.00 0.00 0.05 0.00 0.00 34.50 32.25 3dqz s PRO 109 CO -0.01 -0.70 0.00 -0.40 0.05 0.00 0.00 177.00 175.94 3dqz n ASP 110 N -1.98 0.00 -0.18 6.66 5.68 -1.26 -5.01 116.55 120.47 3dqz n ASP 110 Ca 0.08 -0.23 0.05 0.00 -0.50 0.00 0.00 54.79 54.19 3dqz n ASP 110 Cb 0.53 0.00 0.07 0.00 -1.14 0.00 0.00 41.12 40.58 3dqz n ASP 110 CO 0.00 0.00 0.00 1.07 -1.33 0.00 0.00 177.20 176.94 3dqz n THR 111 N -0.23 1.10 0.00 2.12 5.66 -1.26 -4.38 114.28 117.28 3dqz n THR 111 Ca 0.00 -1.29 0.00 0.00 -3.05 0.00 0.00 64.05 59.71 3dqz n THR 111 Cb 0.00 0.16 0.00 0.00 -1.55 0.00 0.00 70.33 68.94 3dqz n THR 111 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 175.07 172.43 3dqz n THR 112 N -0.80 0.00 -3.48 1.09 -1.04 -1.26 -4.75 114.28 104.04 3dqz n THR 112 Ca 0.08 0.00 -0.21 0.00 -2.04 0.00 0.00 64.05 61.88 3dqz n THR 112 Cb 0.59 -0.40 -0.01 0.00 -1.82 0.00 0.00 70.33 68.70 3dqz n THR 112 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 3dqz s HIS 113 N -1.76 2.30 0.66 -1.42 3.76 -1.26 -5.06 115.29 112.51 3dqz s HIS 113 Ca 0.00 -0.59 -0.17 0.00 -0.15 0.00 0.00 55.06 54.15 3dqz s HIS 113 Cb 0.00 -2.15 -0.03 0.00 1.11 0.00 0.00 32.58 31.51 3dqz s HIS 113 CO 0.00 -0.39 0.95 1.33 -0.85 0.00 0.00 174.74 175.78 3dqz n VAL 114 N -1.74 3.42 -0.03 -0.90 0.24 -1.26 -4.64 118.33 113.41 3dqz n VAL 114 Ca 0.05 -0.45 0.21 0.00 -2.04 0.00 0.00 64.34 62.11 3dqz n VAL 114 Cb 0.62 -1.12 0.69 0.00 -1.47 0.00 0.00 33.84 32.56 3dqz n VAL 114 CO 0.00 0.00 0.00 -0.65 -2.14 0.00 0.00 176.83 174.04 3dqz h PRO 115 N 0.15 0.02 0.00 7.34 0.11 -1.77 -0.66 132.00 137.19 3dqz h PRO 115 Ca -0.48 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3dqz h PRO 115 Cb 1.35 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.46 3dqz h PRO 115 CO 0.49 0.01 0.00 -1.13 -0.21 0.00 0.00 178.00 177.16 3dqz n SER 116 N -4.37 0.00 -0.33 -2.05 3.41 -1.22 -4.51 113.62 104.55 3dqz n SER 116 Ca 0.11 0.37 -0.09 0.00 -0.26 0.00 0.00 58.87 59.01 3dqz n SER 116 Cb 0.66 -0.46 -0.08 0.00 -0.26 0.00 0.00 64.21 64.07 3dqz n SER 116 CO 0.00 0.00 0.00 -0.74 -0.16 0.00 0.00 175.04 174.14 3dqz h HIS 117 N 0.00 -1.52 0.00 7.33 6.17 -1.44 0.19 115.15 125.87 3dqz h HIS 117 Ca 0.00 0.10 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 3dqz h HIS 117 Cb 0.44 0.77 -0.00 0.00 2.52 0.00 0.00 27.41 31.13 3dqz h HIS 117 CO 0.00 -0.30 -0.02 -0.39 0.71 0.00 0.00 177.93 177.92 3dqz h VAL 118 N -0.02 0.08 0.05 5.26 -1.51 -1.83 -0.52 116.25 117.77 3dqz h VAL 118 Ca 0.13 -0.41 -0.24 0.00 -1.23 0.00 0.00 66.70 64.94 3dqz h VAL 118 Cb 0.34 1.37 0.02 0.00 -2.13 0.00 0.00 31.29 30.89 3dqz h VAL 118 CO -0.74 0.02 -0.97 -0.07 -1.23 0.00 0.00 177.57 174.58 3dqz h LEU 119 N 0.00 0.77 0.13 4.19 3.38 -1.03 -2.34 115.31 120.41 3dqz h LEU 119 Ca -0.00 -0.79 -0.01 0.00 0.09 0.00 0.00 57.88 57.17 3dqz h LEU 119 Cb 0.37 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dqz h LEU 119 CO 0.00 1.47 -0.06 0.44 0.09 0.00 0.00 178.44 180.38 3dqz h ASP 120 N 0.16 -0.15 -0.29 -0.43 3.32 -0.40 -1.08 116.42 117.54 3dqz h ASP 120 Ca -0.14 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 56.83 3dqz h ASP 120 Cb 1.66 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 3dqz h ASP 120 CO 0.19 0.07 0.21 0.50 -1.72 0.00 0.00 179.24 178.49 3dqz h LYS 121 N -0.38 0.01 0.06 3.56 1.63 -1.21 -1.47 116.57 118.78 3dqz h LYS 121 Ca -0.02 -0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.78 3dqz h LYS 121 Cb 0.30 -0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.93 3dqz h LYS 121 CO 0.03 0.01 -0.03 -0.92 -3.45 0.00 0.00 179.45 175.09 3dqz h TYR 122 N 0.01 -0.08 0.00 1.91 3.20 -1.17 -3.19 116.97 117.65 3dqz h TYR 122 Ca 0.14 -0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.01 3dqz h TYR 122 Cb 0.54 0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.84 3dqz h TYR 122 CO -0.00 0.39 -0.00 0.52 -1.64 0.00 0.00 178.16 177.43 3dqz h MET 123 N -0.60 0.00 0.00 1.82 2.86 -0.48 -1.63 114.93 116.90 3dqz h MET 123 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3dqz h MET 123 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3dqz h MET 123 CO 0.01 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.38 3dqz n GLU 124 N -3.14 0.03 -2.08 1.72 1.02 -0.62 -4.86 120.64 112.71 3dqz n GLU 124 Ca -0.03 0.05 -0.39 0.00 -0.02 0.00 0.00 57.16 56.77 3dqz n GLU 124 Cb 0.10 -1.53 -0.01 0.00 -0.02 0.00 0.00 31.44 29.98 3dqz n GLU 124 CO 0.00 0.00 0.00 -1.64 1.18 0.00 0.00 177.13 176.67 3dqz s MET 125 N -3.01 4.00 0.69 3.49 -1.94 -0.62 -4.99 119.30 116.92 3dqz s MET 125 Ca 0.13 2.13 -0.15 0.00 -1.71 0.00 0.00 55.69 56.09 3dqz s MET 125 Cb 0.17 -2.77 0.02 0.00 2.01 0.00 0.00 34.83 34.27 3dqz s MET 125 CO 0.51 -0.46 1.17 -1.25 -0.01 0.00 0.00 175.02 174.98 3dqz s PRO 126 N -2.22 2.44 0.00 2.03 0.04 -1.26 -4.42 135.00 131.61 3dqz s PRO 126 Ca 0.56 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.22 3dqz s PRO 126 Cb -0.37 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.28 3dqz s PRO 126 CO 0.48 -1.58 0.00 0.41 0.04 0.00 0.00 177.00 176.36 3dqz n GLY 127 N 0.06 3.68 4.98 0.56 0.00 -1.26 -5.06 105.19 108.14 3dqz n GLY 127 Ca 0.12 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.36 3dqz n GLY 127 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dqz n GLY 128 N 0.00 -1.69 2.70 -0.02 0.00 -1.26 -4.75 105.19 100.17 3dqz n GLY 128 Ca 0.00 -1.53 -0.07 0.00 0.00 0.00 0.00 46.02 44.42 3dqz n GLY 128 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dqz n LEU 129 N 0.00 1.68 0.00 0.99 4.77 -1.26 -5.11 117.00 118.07 3dqz n LEU 129 Ca 0.00 -3.54 0.00 0.00 -0.03 0.00 0.00 56.01 52.44 3dqz n LEU 129 Cb 0.00 0.40 0.00 0.00 -2.33 0.00 0.00 43.42 41.49 3dqz n LEU 129 CO 0.00 1.41 0.00 0.61 -1.33 0.00 0.00 177.39 178.08 3dqz n GLY 130 N -0.28 3.19 1.31 -0.72 0.00 -1.26 -1.91 105.19 105.51 3dqz n GLY 130 Ca 0.10 -0.05 0.07 0.00 0.00 0.00 0.00 46.02 46.15 3dqz n GLY 130 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3dqz n ASP 131 N 3.42 3.83 -4.64 1.61 5.75 -1.26 -4.96 116.55 120.30 3dqz n ASP 131 Ca 0.00 -2.34 -0.37 0.00 -0.01 0.00 0.00 54.79 52.07 3dqz n ASP 131 Cb 0.00 -0.51 0.07 0.00 -1.03 0.00 0.00 41.12 39.65 3dqz n ASP 131 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dqz s GLU 133 N -3.17 2.59 0.10 0.00 2.02 0.19 -4.87 118.70 115.57 3dqz s GLU 133 Ca 0.76 -1.15 -0.24 0.00 0.02 0.00 0.00 54.97 54.36 3dqz s GLU 133 Cb -0.37 -3.11 -0.07 0.00 0.10 0.00 0.00 34.13 30.68 3dqz s GLU 133 CO 0.47 -0.54 0.73 -0.06 0.02 0.00 0.00 175.26 175.88 3dqz s PHE 134 N 1.28 3.82 0.22 1.61 0.08 -1.26 -1.48 117.98 122.25 3dqz s PHE 134 Ca -0.03 1.50 -0.02 0.00 0.12 0.00 0.00 56.93 58.49 3dqz s PHE 134 Cb -0.19 -2.73 -0.03 0.00 -0.57 0.00 0.00 43.02 39.50 3dqz s PHE 134 CO -0.02 0.43 0.22 -1.54 -0.10 0.00 0.00 175.22 174.21 3dqz s SER 135 N -0.71 0.26 0.20 1.36 1.04 -0.81 -4.99 113.70 110.05 3dqz s SER 135 Ca 0.35 -1.34 0.05 0.00 0.48 0.00 0.00 55.95 55.49 3dqz s SER 135 Cb -0.21 0.44 -0.05 0.00 0.10 0.00 0.00 66.02 66.30 3dqz s SER 135 CO 0.23 -0.93 -0.08 -0.44 0.98 0.00 0.00 173.24 173.01 3dqz s SER 136 N -3.15 2.10 -0.21 7.02 0.01 -1.26 -0.79 113.70 117.42 3dqz s SER 136 Ca 0.36 -1.09 -0.08 0.00 1.31 0.00 0.00 55.95 56.44 3dqz s SER 136 Cb 0.05 -0.05 0.09 0.00 0.21 0.00 0.00 66.02 66.31 3dqz s SER 136 CO 0.13 -0.35 0.46 -2.28 0.41 0.00 0.00 173.24 171.61 3dqz s HIS 137 N -3.23 -0.83 0.12 2.43 5.04 -0.23 -4.88 115.29 113.70 3dqz s HIS 137 Ca 0.23 1.59 -0.30 0.00 -1.54 0.00 0.00 55.06 55.04 3dqz s HIS 137 Cb 0.03 0.37 -0.06 0.00 0.04 0.00 0.00 32.58 32.95 3dqz s HIS 137 CO 0.06 -0.48 1.11 -1.21 -2.34 0.00 0.00 174.74 171.88 3dqz s GLU 138 N 2.34 4.55 0.41 2.88 2.02 -1.26 0.51 118.70 130.15 3dqz s GLU 138 Ca -0.04 1.68 0.03 0.00 0.02 0.00 0.00 54.97 56.66 3dqz s GLU 138 Cb -0.11 -3.33 -0.03 0.00 0.10 0.00 0.00 34.13 30.77 3dqz s GLU 138 CO -0.14 -0.03 0.10 0.95 0.02 0.00 0.00 175.26 176.16 3dqz s THR 139 N 0.32 0.76 0.59 3.63 -4.23 0.02 -4.91 115.64 111.82 3dqz s THR 139 Ca 0.52 -2.00 0.29 0.00 -1.18 0.00 0.00 61.69 59.32 3dqz s THR 139 Cb -0.28 -2.39 0.37 0.00 1.34 0.00 0.00 72.50 71.54 3dqz s THR 139 CO 0.32 0.00 1.94 -0.09 -0.54 0.00 0.00 174.62 176.25 3dqz h ARG 140 N 1.77 0.00 -1.52 3.99 2.43 -1.98 -2.92 114.38 116.16 3dqz h ARG 140 Ca -0.37 0.00 -0.53 0.00 -0.81 0.00 0.00 59.98 58.27 3dqz h ARG 140 Cb 1.27 0.00 -0.41 0.00 -0.42 0.00 0.00 29.97 30.41 3dqz h ARG 140 CO 0.61 0.00 -0.86 0.09 -1.51 0.00 0.00 179.97 178.30 3dqz n ASN 141 N -3.68 3.65 0.00 -3.80 4.13 -1.26 -5.10 115.26 109.20 3dqz n ASN 141 Ca 0.06 -3.42 0.00 0.00 1.68 0.00 0.00 54.58 52.90 3dqz n ASN 141 Cb 0.58 -0.50 0.00 0.00 -1.54 0.00 0.00 39.78 38.32 3dqz n ASN 141 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqz n GLY 142 N -0.30 -2.30 3.81 7.41 0.00 -1.10 -4.93 105.19 107.78 3dqz n GLY 142 Ca 0.30 -1.69 -0.35 0.00 0.00 0.00 0.00 46.02 44.28 3dqz n GLY 142 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dqz s THR 143 N -0.31 4.43 -0.12 2.61 -4.23 -1.26 -0.80 115.64 115.96 3dqz s THR 143 Ca 0.00 1.44 -0.00 0.00 -1.18 0.00 0.00 61.69 61.95 3dqz s THR 143 Cb 0.00 -3.77 -0.02 0.00 1.34 0.00 0.00 72.50 70.05 3dqz s THR 143 CO 0.00 -0.07 -0.11 -0.32 -0.54 0.00 0.00 174.62 173.58 3dqz s MET 144 N -2.60 3.25 -0.19 3.99 1.75 0.18 -4.86 119.30 120.83 3dqz s MET 144 Ca 0.54 -0.65 -0.21 0.00 -1.25 0.00 0.00 55.69 54.12 3dqz s MET 144 Cb -0.13 -2.64 -0.03 0.00 2.84 0.00 0.00 34.83 34.87 3dqz s MET 144 CO 0.18 0.32 0.63 -1.12 -0.65 0.00 0.00 175.02 174.38 3dqz s SER 145 N 0.10 6.70 0.30 1.11 0.01 -1.26 -1.07 113.70 119.58 3dqz s SER 145 Ca -0.05 0.85 0.07 0.00 1.31 0.00 0.00 55.95 58.14 3dqz s SER 145 Cb -0.14 -2.35 -0.03 0.00 0.21 0.00 0.00 66.02 63.70 3dqz s SER 145 CO 0.04 -0.26 0.23 -0.76 0.41 0.00 0.00 173.24 172.91 3dqz s LEU 146 N 1.81 3.66 -0.13 2.44 1.43 0.03 -4.34 118.68 123.58 3dqz s LEU 146 Ca 0.29 -0.41 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 3dqz s LEU 146 Cb -0.16 -2.23 0.04 0.00 0.03 0.00 0.00 46.19 43.87 3dqz s LEU 146 CO 0.11 -0.20 0.42 -0.22 0.23 0.00 0.00 176.35 176.69 3dqz s LEU 147 N -3.91 0.38 -0.04 1.79 2.96 -0.06 -1.92 118.68 117.88 3dqz s LEU 147 Ca 0.37 0.74 0.03 0.00 -0.22 0.00 0.00 54.13 55.05 3dqz s LEU 147 Cb -0.07 1.50 0.00 0.00 0.50 0.00 0.00 46.19 48.13 3dqz s LEU 147 CO 0.25 -0.22 -0.13 -0.75 -1.32 0.00 0.00 176.35 174.18 3dqz s LYS 148 N -0.09 1.49 0.71 1.98 2.20 -0.55 -0.65 119.74 124.83 3dqz s LYS 148 Ca -0.03 -0.46 -0.12 0.00 -0.36 0.00 0.00 55.97 55.00 3dqz s LYS 148 Cb -0.03 -1.30 0.02 0.00 -1.51 0.00 0.00 37.83 35.01 3dqz s LYS 148 CO 0.02 0.15 1.09 -1.64 -0.36 0.00 0.00 175.35 174.60 3dqz s MET 149 N 0.24 2.62 0.14 4.03 -1.94 -1.26 0.56 119.30 123.69 3dqz s MET 149 Ca -0.06 1.21 0.05 0.00 -1.71 0.00 0.00 55.69 55.18 3dqz s MET 149 Cb -0.12 -1.94 -0.04 0.00 2.01 0.00 0.00 34.83 34.75 3dqz s MET 149 CO 0.02 -1.37 0.06 0.20 -0.01 0.00 0.00 175.02 173.92 3dqz s GLY 150 N -3.15 1.81 0.19 -0.03 0.00 -1.25 -4.70 107.32 100.18 3dqz s GLY 150 Ca 0.63 -1.21 -0.12 0.00 0.00 0.00 0.00 44.72 44.02 3dqz s GLY 150 CO 0.50 -1.21 1.82 -2.55 0.00 0.00 0.00 173.10 171.66 3dqz h PRO 151 N 2.84 0.66 -0.21 2.90 0.11 -1.97 -1.07 132.00 135.27 3dqz h PRO 151 Ca -0.47 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 3dqz h PRO 151 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3dqz h PRO 151 CO 0.61 0.44 0.10 0.87 -0.21 0.00 0.00 178.00 179.82 3dqz h LYS 152 N 0.68 0.30 -0.52 1.05 1.57 -1.96 -0.93 116.57 116.76 3dqz h LYS 152 Ca 0.24 -0.04 0.04 0.00 -1.87 0.00 0.00 60.65 59.02 3dqz h LYS 152 Cb 0.03 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.25 3dqz h LYS 152 CO -0.11 0.31 0.27 0.35 -0.57 0.00 0.00 179.45 179.70 3dqz h PHE 153 N 0.21 0.50 -0.23 -1.35 3.04 -1.81 -1.22 116.94 116.09 3dqz h PHE 153 Ca 0.07 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.04 3dqz h PHE 153 Cb 0.10 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.45 3dqz h PHE 153 CO -0.03 0.25 0.15 0.52 -2.02 0.00 0.00 178.31 177.18 3dqz h MET 154 N 0.53 0.30 -0.22 1.11 2.86 -1.01 -0.45 114.93 118.06 3dqz h MET 154 Ca 0.23 -0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.74 3dqz h MET 154 Cb 0.12 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3dqz h MET 154 CO -0.15 0.21 -0.33 -0.22 1.06 0.00 0.00 176.91 177.48 3dqz h LYS 155 N 0.31 0.45 0.00 1.72 3.64 -0.92 0.84 116.57 122.60 3dqz h LYS 155 Ca 0.08 -0.20 -0.22 0.00 -1.27 0.00 0.00 60.65 59.05 3dqz h LYS 155 Cb -0.03 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 31.74 3dqz h LYS 155 CO -0.02 0.73 -1.45 0.00 -2.27 0.00 0.00 179.45 176.44 3dqz h ALA 156 N 1.26 0.68 0.00 5.00 0.00 -1.13 -3.04 119.26 122.04 3dqz h ALA 156 Ca 0.05 -1.10 0.00 0.00 0.00 0.00 0.00 54.91 53.86 3dqz h ALA 156 Cb 0.77 0.31 0.00 0.00 0.00 0.00 0.00 17.79 18.87 3dqz h ALA 156 CO 0.06 1.22 -0.17 0.54 0.00 0.00 0.00 179.25 180.90 3dqz n ARG 157 N -3.01 4.97 -0.03 0.00 1.74 -0.19 -4.66 116.66 115.48 3dqz n ARG 157 Ca -0.11 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 56.93 3dqz n ARG 157 Cb 0.93 -0.53 -0.02 0.00 -1.02 0.00 0.00 32.46 31.82 3dqz n ARG 157 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 3dqz n LEU 158 N -0.94 2.94 -0.64 0.55 4.32 -0.36 -2.28 117.00 120.59 3dqz n LEU 158 Ca 0.00 -0.03 0.08 0.00 -0.02 0.00 0.00 56.01 56.04 3dqz n LEU 158 Cb 0.00 -0.17 0.21 0.00 -1.62 0.00 0.00 43.42 41.84 3dqz n LEU 158 CO 0.00 0.58 0.65 -1.22 -1.22 0.00 0.00 177.39 176.18 3dqz n TYR 159 N -2.64 0.62 -0.07 -1.77 4.02 0.14 -2.74 117.16 114.72 3dqz n TYR 159 Ca -0.09 -1.02 0.19 0.00 -0.01 0.00 0.00 57.90 56.98 3dqz n TYR 159 Cb 0.60 -0.28 0.62 0.00 -0.02 0.00 0.00 39.34 40.26 3dqz n TYR 159 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 3dqz h GLN 160 N 1.10 0.15 -0.40 -0.72 7.50 -1.76 -1.31 115.11 119.67 3dqz h GLN 160 Ca 0.02 -0.01 0.00 0.00 0.50 0.00 0.00 58.65 59.16 3dqz h GLN 160 Cb 1.31 -0.03 0.00 0.00 0.05 0.00 0.00 27.48 28.81 3dqz h GLN 160 CO 0.16 0.10 0.00 0.09 -1.50 0.00 0.00 178.83 177.68 3dqz n ASN 161 N -4.41 3.08 -4.86 1.46 3.02 -1.26 -5.00 115.26 107.29 3dqz n ASN 161 Ca 0.12 -1.97 -0.32 0.00 -0.03 0.00 0.00 54.58 52.37 3dqz n ASN 161 Cb 0.60 -0.27 -0.06 0.00 -0.61 0.00 0.00 39.78 39.45 3dqz n ASN 161 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqz n PRO 163 N -0.22 1.17 0.04 0.00 -0.02 -1.26 -4.86 135.00 129.85 3dqz n PRO 163 Ca 0.02 0.43 0.08 0.00 -2.02 0.00 0.00 63.50 62.01 3dqz n PRO 163 Cb 0.53 -2.09 0.51 0.00 -0.02 0.00 0.00 33.50 32.42 3dqz n PRO 163 CO 0.00 0.00 0.00 0.97 1.98 0.00 0.00 175.50 178.45 3dqz h ILE 164 N 1.11 1.01 -0.95 4.25 6.09 -1.96 -1.37 117.51 125.68 3dqz h ILE 164 Ca -0.46 -0.12 0.09 0.00 -1.37 0.00 0.00 64.86 63.00 3dqz h ILE 164 Cb 1.35 0.61 -0.07 0.00 0.47 0.00 0.00 36.82 39.18 3dqz h ILE 164 CO 0.54 0.07 0.61 -0.33 -3.07 0.00 0.00 178.15 175.97 3dqz h GLU 165 N 0.36 0.96 -0.01 2.19 3.07 -1.99 -0.95 114.58 118.22 3dqz h GLU 165 Ca 0.16 -0.06 -0.17 0.00 -0.50 0.00 0.00 59.36 58.79 3dqz h GLU 165 Cb 0.17 -0.22 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 3dqz h GLU 165 CO -0.04 0.63 -0.76 -0.44 -1.40 0.00 0.00 179.01 177.00 3dqz h ASP 166 N 0.99 0.11 -0.31 1.42 3.32 -1.60 0.21 116.42 120.55 3dqz h ASP 166 Ca 0.44 -0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.34 3dqz h ASP 166 Cb 0.37 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.87 3dqz h ASP 166 CO -0.20 0.83 -0.09 0.22 -1.72 0.00 0.00 179.24 178.28 3dqz h TYR 167 N 0.05 0.69 -0.67 4.55 3.20 -1.36 -1.70 116.97 121.73 3dqz h TYR 167 Ca -0.02 -0.15 -0.03 0.00 3.14 0.00 0.00 58.73 61.67 3dqz h TYR 167 Cb 1.34 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 3dqz h TYR 167 CO 0.01 0.80 0.31 0.93 -1.64 0.00 0.00 178.16 178.58 3dqz h GLU 168 N 0.38 0.96 -0.77 1.82 4.39 -0.91 -1.21 114.58 119.25 3dqz h GLU 168 Ca 0.08 -0.15 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 3dqz h GLU 168 Cb 0.58 -0.17 -0.04 0.00 -0.10 0.00 0.00 28.75 29.03 3dqz h GLU 168 CO 0.03 0.77 0.46 1.25 -1.16 0.00 0.00 179.01 180.36 3dqz h LEU 169 N 0.93 0.93 -0.45 1.33 5.85 -0.57 -2.53 115.31 120.80 3dqz h LEU 169 Ca 0.23 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.85 3dqz h LEU 169 Cb 0.13 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 3dqz h LEU 169 CO -0.03 0.72 0.15 0.00 -0.34 0.00 0.00 178.44 178.95 3dqz h ALA 170 N 1.24 0.59 -0.26 1.25 0.00 -0.96 -2.29 119.26 118.83 3dqz h ALA 170 Ca 0.28 -0.17 0.08 0.00 0.00 0.00 0.00 54.91 55.09 3dqz h ALA 170 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 3dqz h ALA 170 CO -0.05 0.22 0.22 0.87 0.00 0.00 0.00 179.25 180.51 3dqz h LYS 171 N 0.59 0.00 0.00 0.00 1.57 -0.96 0.24 116.57 118.01 3dqz h LYS 171 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 3dqz h LYS 171 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3dqz h LYS 171 CO -0.01 0.00 -0.22 -1.33 -0.57 0.00 0.00 179.45 177.32 3dqz n MET 172 N -4.19 0.13 0.00 3.15 2.81 -0.89 -4.49 117.12 113.64 3dqz n MET 172 Ca 0.03 0.07 0.00 0.00 -1.81 0.00 0.00 57.70 56.00 3dqz n MET 172 Cb 0.37 -1.62 0.00 0.00 -0.71 0.00 0.00 33.22 31.26 3dqz n MET 172 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 3dqz n LEU 173 N -1.82 0.00 -4.75 4.03 4.77 -0.20 -5.07 117.00 113.96 3dqz n LEU 173 Ca 0.06 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.66 3dqz n LEU 173 Cb 0.38 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.51 3dqz n LEU 173 CO 0.31 0.00 0.94 -1.38 -1.33 0.00 0.00 177.39 175.93 3dqz s HIS 174 N -1.54 2.37 0.19 -1.77 -3.43 0.68 -4.79 115.29 107.01 3dqz s HIS 174 Ca 0.00 1.42 0.05 0.00 -0.80 0.00 0.00 55.06 55.73 3dqz s HIS 174 Cb 0.00 -3.70 -0.05 0.00 -1.43 0.00 0.00 32.58 27.40 3dqz s HIS 174 CO 0.00 -2.62 -0.07 1.03 -2.00 0.00 0.00 174.74 171.08 3dqz s ARG 175 N -2.94 1.22 0.26 -0.38 0.52 -0.71 -5.02 118.95 111.90 3dqz s ARG 175 Ca 0.72 -1.57 -0.30 0.00 -0.52 0.00 0.00 55.73 54.06 3dqz s ARG 175 Cb -0.37 -0.72 -0.10 0.00 0.52 0.00 0.00 34.95 34.28 3dqz s ARG 175 CO 0.44 0.03 1.33 -1.14 0.02 0.00 0.00 175.30 175.98 3dqz s GLN 176 N -3.77 4.36 0.00 3.54 0.74 -1.26 -4.30 119.66 118.96 3dqz s GLN 176 Ca 0.22 2.16 0.00 0.00 0.05 0.00 0.00 55.36 57.79 3dqz s GLN 176 Cb 0.03 -3.13 0.00 0.00 1.10 0.00 0.00 33.01 31.01 3dqz s GLN 176 CO 0.05 -0.25 0.00 0.41 -0.55 0.00 0.00 175.29 174.95 3dqz n GLY 177 N 1.75 4.89 3.30 2.59 0.00 0.18 -4.66 105.19 113.24 3dqz n GLY 177 Ca 0.04 -1.30 -0.11 0.00 0.00 0.00 0.00 46.02 44.65 3dqz n GLY 177 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dqz s SER 178 N 1.15 -0.19 0.00 1.61 0.15 -1.26 -0.88 113.70 114.28 3dqz s SER 178 Ca 0.00 -0.27 0.23 0.00 0.70 0.00 0.00 55.95 56.61 3dqz s SER 178 Cb 0.00 0.43 -0.01 0.00 -1.71 0.00 0.00 66.02 64.73 3dqz s SER 178 CO 0.00 -0.77 1.08 0.49 1.20 0.00 0.00 173.24 175.25 3dqz n PHE 179 N 0.06 0.00 -3.36 3.44 3.01 -1.26 -4.91 117.46 114.43 3dqz n PHE 179 Ca -0.17 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.05 3dqz n PHE 179 Cb 0.62 -0.00 0.01 0.00 -0.01 0.00 0.00 39.48 40.10 3dqz n PHE 179 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3dqz n PHE 180 N -0.21 -1.89 -0.04 1.38 3.72 -1.26 -4.83 117.46 114.32 3dqz n PHE 180 Ca 0.09 0.54 0.06 0.00 -0.05 0.00 0.00 57.45 58.08 3dqz n PHE 180 Cb 0.45 -3.43 0.43 0.00 -0.94 0.00 0.00 39.48 35.99 3dqz n PHE 180 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 3dqz h THR 181 N -1.21 1.06 -0.07 4.37 1.35 -1.93 0.54 112.91 117.01 3dqz h THR 181 Ca -0.47 -0.19 -0.08 0.00 -0.55 0.00 0.00 66.41 65.11 3dqz h THR 181 Cb 1.32 0.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3dqz h THR 181 CO 0.56 0.10 -0.28 -0.33 -0.25 0.00 0.00 175.52 175.32 3dqz h GLU 182 N 0.56 0.31 -0.72 4.72 3.07 -1.89 -2.07 114.58 118.57 3dqz h GLU 182 Ca 0.20 -0.24 -0.03 0.00 -0.50 0.00 0.00 59.36 58.78 3dqz h GLU 182 Cb 0.09 0.05 -0.03 0.00 -0.84 0.00 0.00 28.75 28.01 3dqz h GLU 182 CO -0.05 0.88 0.34 0.22 -1.40 0.00 0.00 179.01 178.99 3dqz h ASP 183 N -0.18 0.95 0.56 1.42 3.58 -1.82 -3.02 116.42 117.91 3dqz h ASP 183 Ca -0.01 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.19 3dqz h ASP 183 Cb 0.92 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 41.71 3dqz h ASP 183 CO 0.06 0.82 -0.48 -0.07 -2.88 0.00 0.00 179.24 176.69 3dqz h LEU 184 N 1.01 0.00 -1.26 2.28 3.38 -0.92 -2.71 115.31 117.08 3dqz h LEU 184 Ca 0.25 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.15 3dqz h LEU 184 Cb 0.13 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 3dqz h LEU 184 CO -0.03 0.48 -0.30 0.77 0.09 0.00 0.00 178.44 179.45 3dqz h SER 185 N 0.00 0.00 -0.56 -0.43 4.64 -1.24 -2.71 113.55 113.25 3dqz h SER 185 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dqz h SER 185 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 3dqz h SER 185 CO 0.06 0.30 0.00 0.29 -0.87 0.00 0.00 176.83 176.61 3dqz n LYS 186 N -3.65 2.31 -3.91 4.77 5.02 -1.03 -4.87 118.16 116.79 3dqz n LYS 186 Ca -0.01 -2.03 -0.32 0.00 -2.02 0.00 0.00 58.31 53.93 3dqz n LYS 186 Cb 0.41 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.94 3dqz n LYS 186 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 3dqz s LYS 187 N -1.25 3.43 0.21 1.97 2.20 -1.02 -5.05 119.74 120.22 3dqz s LYS 187 Ca 0.38 -0.38 -0.31 0.00 -0.36 0.00 0.00 55.97 55.30 3dqz s LYS 187 Cb 0.20 -3.07 -0.11 0.00 -1.51 0.00 0.00 37.83 33.34 3dqz s LYS 187 CO 0.26 0.65 1.62 -1.21 -0.36 0.00 0.00 175.35 176.30 3dqz s GLU 188 N -2.19 4.17 0.65 4.03 2.02 -1.26 -4.40 118.70 121.72 3dqz s GLU 188 Ca 0.31 2.47 -0.17 0.00 0.02 0.00 0.00 54.97 57.60 3dqz s GLU 188 Cb -0.13 -3.10 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 3dqz s GLU 188 CO 0.23 -0.65 1.03 0.36 0.02 0.00 0.00 175.26 176.25 3dqz n LYS 189 N 3.59 0.80 -1.82 1.61 2.85 -1.26 -4.76 118.16 119.16 3dqz n LYS 189 Ca 0.13 0.32 -0.41 0.00 -1.05 0.00 0.00 58.31 57.30 3dqz n LYS 189 Cb 0.37 -2.26 -0.01 0.00 -0.65 0.00 0.00 35.03 32.48 3dqz n LYS 189 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 3dqz s PHE 190 N -1.59 2.75 0.49 5.58 0.08 -1.26 -4.97 117.98 119.05 3dqz s PHE 190 Ca 0.77 0.92 -0.15 0.00 0.12 0.00 0.00 56.93 58.60 3dqz s PHE 190 Cb -0.38 -4.02 -0.07 0.00 -0.57 0.00 0.00 43.02 37.97 3dqz s PHE 190 CO 0.46 -3.29 0.93 -1.54 -0.10 0.00 0.00 175.22 171.68 3dqz s SER 191 N 0.29 6.58 0.11 1.36 1.04 -1.26 -4.53 113.70 117.29 3dqz s SER 191 Ca 0.60 1.44 0.07 0.00 0.48 0.00 0.00 55.95 58.54 3dqz s SER 191 Cb -0.47 -2.45 -0.21 0.00 0.10 0.00 0.00 66.02 62.99 3dqz s SER 191 CO 0.51 -0.55 1.24 -0.08 0.98 0.00 0.00 173.24 175.35 3dqz h GLU 192 N 0.95 0.00 -0.34 4.02 4.57 -1.93 -1.55 114.58 120.30 3dqz h GLU 192 Ca -0.47 -0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.62 3dqz h GLU 192 Cb 1.19 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.76 3dqz h GLU 192 CO 0.62 0.97 -0.14 0.93 -1.18 0.00 0.00 179.01 180.21 3dqz h GLU 193 N 0.00 0.61 0.00 1.92 3.07 -1.93 -1.36 114.58 116.88 3dqz h GLU 193 Ca -0.03 -0.20 0.00 0.00 -0.50 0.00 0.00 59.36 58.64 3dqz h GLU 193 Cb 1.79 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.64 3dqz h GLU 193 CO 0.13 0.73 0.00 0.41 -1.40 0.00 0.00 179.01 178.88 3dqz n GLY 194 N -0.51 0.26 0.28 -3.84 0.00 -1.24 -4.33 105.19 95.82 3dqz n GLY 194 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3dqz n GLY 194 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3dqz h TYR 195 N 0.00 0.55 -0.23 1.61 3.20 -1.53 -1.85 116.97 118.72 3dqz h TYR 195 Ca 0.00 0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 3dqz h TYR 195 Cb 0.00 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.13 3dqz h TYR 195 CO 0.00 0.08 0.03 0.78 -1.64 0.00 0.00 178.16 177.40 3dqz h GLY 196 N 0.47 0.35 2.00 1.82 0.00 -1.27 -2.92 103.07 103.52 3dqz h GLY 196 Ca 0.42 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.50 3dqz h GLY 196 CO -0.40 0.16 -0.37 1.48 0.00 0.00 0.00 176.54 177.41 3dqz h SER 197 N 0.32 0.00 -3.75 0.19 4.64 -0.36 -3.45 113.55 111.15 3dqz h SER 197 Ca 0.08 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.88 3dqz h SER 197 Cb 0.18 0.00 0.04 0.00 -0.31 0.00 0.00 62.40 62.30 3dqz h SER 197 CO 0.00 0.37 0.56 -0.69 -0.87 0.00 0.00 176.83 176.21 3dqz s VAL 198 N -3.40 3.19 0.43 0.95 1.01 -1.11 -5.00 120.40 116.49 3dqz s VAL 198 Ca 0.02 1.15 -0.26 0.00 0.00 0.00 0.00 61.98 62.89 3dqz s VAL 198 Cb 0.10 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.66 3dqz s VAL 198 CO 0.69 0.25 1.42 -1.10 0.00 0.00 0.00 175.10 176.37 3dqz s GLN 199 N -1.28 3.78 -0.08 2.72 -0.21 -1.23 -4.88 119.66 118.48 3dqz s GLN 199 Ca 0.48 2.41 -0.06 0.00 0.02 0.00 0.00 55.36 58.21 3dqz s GLN 199 Cb -0.35 -2.71 0.02 0.00 1.00 0.00 0.00 33.01 30.97 3dqz s GLN 199 CO 0.44 -0.74 0.19 -0.98 -2.12 0.00 0.00 175.29 172.09 3dqz s ARG 200 N -2.37 0.21 0.32 2.91 1.70 -1.26 0.23 118.95 120.69 3dqz s ARG 200 Ca 0.59 0.31 0.06 0.00 -0.47 0.00 0.00 55.73 56.22 3dqz s ARG 200 Cb -0.43 0.05 -0.06 0.00 -0.57 0.00 0.00 34.95 33.93 3dqz s ARG 200 CO 0.56 -0.06 -0.01 0.14 -1.08 0.00 0.00 175.30 174.86 3dqz s VAL 201 N 0.38 1.54 -0.01 4.99 -7.23 -0.34 -0.86 120.40 118.87 3dqz s VAL 201 Ca -0.02 -2.06 0.08 0.00 -1.81 0.00 0.00 61.98 58.17 3dqz s VAL 201 Cb -0.04 -2.66 -0.02 0.00 0.56 0.00 0.00 36.38 34.22 3dqz s VAL 201 CO -0.02 -0.14 -0.25 -0.47 -0.31 0.00 0.00 175.10 173.91 3dqz s TYR 202 N -3.06 2.27 -0.14 2.82 6.14 -0.23 -1.72 117.35 123.42 3dqz s TYR 202 Ca 0.33 -0.42 0.00 0.00 0.64 0.00 0.00 57.07 57.62 3dqz s TYR 202 Cb 0.07 -1.44 0.03 0.00 0.42 0.00 0.00 41.96 41.03 3dqz s TYR 202 CO 0.14 -0.01 -0.12 0.08 0.64 0.00 0.00 175.55 176.29 3dqz s VAL 203 N -0.64 1.41 -0.02 3.14 1.01 0.24 0.28 120.40 125.83 3dqz s VAL 203 Ca 0.10 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.56 3dqz s VAL 203 Cb -0.10 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.90 3dqz s VAL 203 CO -0.00 0.40 -0.16 0.00 0.00 0.00 0.00 175.10 175.33 3dqz s MET 204 N 1.55 1.37 0.38 2.72 0.23 0.04 -0.70 119.30 124.89 3dqz s MET 204 Ca 0.04 -0.58 -0.25 0.00 -1.03 0.00 0.00 55.69 53.87 3dqz s MET 204 Cb -0.13 -1.31 -0.09 0.00 -1.53 0.00 0.00 34.83 31.77 3dqz s MET 204 CO -0.10 0.34 1.09 -1.12 -2.03 0.00 0.00 175.02 173.20 3dqz s SER 205 N -0.33 6.78 0.36 -1.18 0.01 -1.26 -0.30 113.70 117.78 3dqz s SER 205 Ca 0.05 2.15 0.19 0.00 1.31 0.00 0.00 55.95 59.66 3dqz s SER 205 Cb -0.07 -2.60 0.50 0.00 0.21 0.00 0.00 66.02 64.06 3dqz s SER 205 CO -0.00 -0.48 1.64 0.77 0.41 0.00 0.00 173.24 175.57 3dqz h SER 206 N 2.74 0.00 -1.40 2.44 4.64 -1.29 -3.31 113.55 117.37 3dqz h SER 206 Ca -0.48 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.24 3dqz h SER 206 Cb 1.22 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.90 3dqz h SER 206 CO 0.63 0.35 -0.55 -0.62 -0.87 0.00 0.00 176.83 175.77 3dqz n GLU 207 N -3.32 3.39 -2.63 4.77 1.02 -0.34 -4.93 120.64 118.60 3dqz n GLU 207 Ca 0.01 -4.33 -0.43 0.00 -0.02 0.00 0.00 57.16 52.40 3dqz n GLU 207 Cb 0.57 -2.26 -0.02 0.00 -0.02 0.00 0.00 31.44 29.71 3dqz n GLU 207 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 3dqz s ASP 208 N -3.29 6.66 0.00 1.62 -1.08 -1.24 -4.17 116.67 115.17 3dqz s ASP 208 Ca 0.49 0.51 0.25 0.00 -0.52 0.00 0.00 52.55 53.28 3dqz s ASP 208 Cb 0.41 -2.54 0.40 0.00 -1.46 0.00 0.00 42.92 39.73 3dqz s ASP 208 CO -0.16 -1.19 1.38 0.29 0.52 0.00 0.00 175.17 176.01 3dqz n LYS 209 N 7.66 2.20 -0.10 4.34 5.02 -1.25 -4.20 118.16 131.83 3dqz n LYS 209 Ca 0.11 -1.75 -0.24 0.00 -2.02 0.00 0.00 58.31 54.42 3dqz n LYS 209 Cb 0.49 -1.47 -0.11 0.00 -0.02 0.00 0.00 35.03 33.91 3dqz n LYS 209 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dqz n ALA 210 N 1.10 0.91 -3.92 7.82 0.00 -0.96 -4.76 120.51 120.69 3dqz n ALA 210 Ca 0.16 -0.66 -0.33 0.00 0.00 0.00 0.00 53.44 52.61 3dqz n ALA 210 Cb 0.54 -0.40 -0.14 0.00 0.00 0.00 0.00 19.45 19.45 3dqz n ALA 210 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3dqz s ILE 211 N -2.42 2.57 0.28 0.00 1.01 -1.26 -5.09 121.20 116.29 3dqz s ILE 211 Ca -0.31 -1.97 -0.29 0.00 0.00 0.00 0.00 60.65 58.08 3dqz s ILE 211 Cb 0.08 -2.71 -0.13 0.00 0.01 0.00 0.00 42.46 39.70 3dqz s ILE 211 CO 0.59 -0.40 1.24 -2.65 0.00 0.00 0.00 174.94 173.71 3dqz n PRO 212 N 4.42 1.80 -0.37 2.79 -0.02 -1.26 -4.75 135.00 137.61 3dqz n PRO 212 Ca -0.04 0.64 0.28 0.00 -2.02 0.00 0.00 63.50 62.36 3dqz n PRO 212 Cb 0.42 -2.17 0.56 0.00 -0.02 0.00 0.00 33.50 32.28 3dqz n PRO 212 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dqz h ASP 214 N 0.26 0.12 -0.39 0.00 5.19 -1.98 -1.16 116.42 118.48 3dqz h ASP 214 Ca 0.71 -0.12 -0.13 0.00 -0.62 0.00 0.00 57.03 56.87 3dqz h ASP 214 Cb 1.94 -0.04 -0.01 0.00 0.18 0.00 0.00 39.33 41.41 3dqz h ASP 214 CO -0.40 1.04 -0.25 0.15 -3.12 0.00 0.00 179.24 176.66 3dqz h PHE 215 N 0.03 0.99 -0.96 4.55 3.57 -1.38 -0.68 116.94 123.06 3dqz h PHE 215 Ca -0.04 -0.26 0.03 0.00 3.53 0.00 0.00 57.97 61.23 3dqz h PHE 215 Cb 1.72 -0.22 -0.05 0.00 2.79 0.00 0.00 35.95 40.18 3dqz h PHE 215 CO 0.02 1.05 0.63 0.82 -2.23 0.00 0.00 178.31 178.59 3dqz h ILE 216 N 0.65 1.19 -0.10 1.41 2.04 -1.02 -0.65 117.51 121.03 3dqz h ILE 216 Ca 0.08 -0.42 -0.18 0.00 1.00 0.00 0.00 64.86 65.33 3dqz h ILE 216 Cb 0.82 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.74 3dqz h ILE 216 CO 0.07 0.23 -0.70 0.03 0.00 0.00 0.00 178.15 177.77 3dqz h ARG 217 N 1.23 0.46 -0.75 2.37 2.47 -1.04 -1.90 114.38 117.22 3dqz h ARG 217 Ca 0.38 -0.36 -0.04 0.00 -1.26 0.00 0.00 59.98 58.69 3dqz h ARG 217 Cb -0.03 0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.33 3dqz h ARG 217 CO -0.11 0.99 0.29 2.35 0.56 0.00 0.00 179.97 184.06 3dqz h TRP 218 N 0.32 1.14 0.02 3.04 7.01 -0.54 0.19 115.95 127.13 3dqz h TRP 218 Ca -0.03 -0.08 -0.00 0.00 2.11 0.00 0.00 58.89 60.89 3dqz h TRP 218 Cb 1.28 -0.34 0.00 0.00 -2.10 0.00 0.00 29.16 27.99 3dqz h TRP 218 CO 0.05 0.87 -0.01 0.52 -2.79 0.00 0.00 178.44 177.08 3dqz h MET 219 N 1.10 -0.02 -0.58 2.65 2.86 -0.97 0.25 114.93 120.22 3dqz h MET 219 Ca 0.25 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.82 3dqz h MET 219 Cb 0.22 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3dqz h MET 219 CO -0.02 0.12 0.05 0.82 1.06 0.00 0.00 176.91 178.94 3dqz h ILE 220 N -0.16 1.25 -0.20 -1.22 2.04 -1.22 -1.18 117.51 116.83 3dqz h ILE 220 Ca -0.00 -1.03 0.00 0.00 1.00 0.00 0.00 64.86 64.82 3dqz h ILE 220 Cb 0.15 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 3dqz h ILE 220 CO 0.00 0.38 0.12 -0.78 0.00 0.00 0.00 178.15 177.88 3dqz h ASP 221 N 0.89 0.23 0.09 1.72 3.58 -0.54 -2.25 116.42 120.13 3dqz h ASP 221 Ca 0.17 -0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.60 3dqz h ASP 221 Cb 0.46 -0.06 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 3dqz h ASP 221 CO 0.02 0.19 -0.00 -1.13 -2.88 0.00 0.00 179.24 175.43 3dqz h ASN 222 N 0.25 0.00 -0.75 2.28 -1.24 0.03 -3.39 115.58 112.76 3dqz h ASN 222 Ca 0.07 0.00 0.04 0.00 0.71 0.00 0.00 56.30 57.12 3dqz h ASN 222 Cb -0.01 0.00 -0.19 0.00 0.73 0.00 0.00 38.32 38.85 3dqz h ASN 222 CO -0.01 0.00 -0.31 0.12 -1.29 0.00 0.00 177.43 175.94 3dqz s PHE 223 N -4.14 -1.35 0.78 0.67 5.36 -0.49 -4.95 117.98 113.86 3dqz s PHE 223 Ca -0.04 0.47 -0.14 0.00 -0.96 0.00 0.00 56.93 56.26 3dqz s PHE 223 Cb 0.13 0.24 0.07 0.00 -0.34 0.00 0.00 43.02 43.12 3dqz s PHE 223 CO 0.43 -0.86 1.19 -0.80 -1.46 0.00 0.00 175.22 173.72 3dqz s ASN 224 N 2.32 3.84 0.26 6.13 0.01 -1.02 -4.46 114.94 122.02 3dqz s ASN 224 Ca 0.16 2.31 0.08 0.00 -0.71 0.00 0.00 52.86 54.70 3dqz s ASN 224 Cb -0.04 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3dqz s ASN 224 CO -0.16 -2.50 -0.11 0.68 -1.51 0.00 0.00 177.10 173.50 3dqz s VAL 225 N -2.17 1.81 0.06 1.60 -7.23 -1.26 -4.99 120.40 108.23 3dqz s VAL 225 Ca 0.72 -2.19 -0.20 0.00 -1.81 0.00 0.00 61.98 58.50 3dqz s VAL 225 Cb -0.28 -2.31 -0.11 0.00 0.56 0.00 0.00 36.38 34.25 3dqz s VAL 225 CO 0.49 -0.41 1.46 0.28 -0.31 0.00 0.00 175.10 176.62 3dqz h SER 226 N 2.36 0.36 -5.01 4.85 0.02 -1.38 -3.46 113.55 111.29 3dqz h SER 226 Ca -0.39 -0.36 -0.16 0.00 -0.84 0.00 0.00 61.79 60.04 3dqz h SER 226 Cb 1.23 -0.10 -0.16 0.00 0.14 0.00 0.00 62.40 63.52 3dqz h SER 226 CO 0.65 0.63 -0.69 -0.54 -1.14 0.00 0.00 176.83 175.74 3dqz s LYS 227 N -4.80 0.64 -0.22 3.45 1.02 -1.26 -5.07 119.74 113.51 3dqz s LYS 227 Ca -0.14 -1.17 -0.00 0.00 0.02 0.00 0.00 55.97 54.68 3dqz s LYS 227 Cb 0.06 0.06 0.06 0.00 -0.52 0.00 0.00 37.83 37.49 3dqz s LYS 227 CO 0.74 -0.07 -0.04 0.08 -0.92 0.00 0.00 175.35 175.14 3dqz s VAL 228 N -3.48 1.31 0.09 3.17 1.01 -1.26 -1.07 120.40 120.19 3dqz s VAL 228 Ca 0.05 -1.05 -0.11 0.00 0.00 0.00 0.00 61.98 60.87 3dqz s VAL 228 Cb 0.05 -1.61 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 3dqz s VAL 228 CO -0.07 -0.10 0.44 -0.31 0.00 0.00 0.00 175.10 175.07 3dqz s TYR 229 N 1.50 3.60 -0.04 5.22 1.51 0.14 -4.98 117.35 124.30 3dqz s TYR 229 Ca -0.04 0.88 0.06 0.00 -1.01 0.00 0.00 57.07 56.96 3dqz s TYR 229 Cb -0.18 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.43 3dqz s TYR 229 CO -0.07 0.50 -0.24 -2.00 -1.11 0.00 0.00 175.55 172.64 3dqz s GLU 230 N -1.88 2.21 -0.33 -0.62 2.12 -1.26 -0.78 118.70 118.16 3dqz s GLU 230 Ca 0.34 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.74 3dqz s GLU 230 Cb -0.14 -1.97 0.02 0.00 0.26 0.00 0.00 34.13 32.30 3dqz s GLU 230 CO 0.18 0.42 0.13 0.42 -0.54 0.00 0.00 175.26 175.86 3dqz s ILE 231 N -0.29 4.13 -0.13 -3.70 1.01 0.59 -4.93 121.20 117.87 3dqz s ILE 231 Ca 0.01 -0.84 -0.29 0.00 0.00 0.00 0.00 60.65 59.53 3dqz s ILE 231 Cb -0.12 -3.23 -0.03 0.00 0.01 0.00 0.00 42.46 39.09 3dqz s ILE 231 CO 0.02 -0.08 1.52 -0.62 0.00 0.00 0.00 174.94 175.78 3dqz s ASP 232 N 1.50 6.67 0.00 3.58 2.15 -1.26 -1.32 116.67 127.99 3dqz s ASP 232 Ca 0.01 1.90 0.00 0.00 0.43 0.00 0.00 52.55 54.89 3dqz s ASP 232 Cb -0.18 -2.53 0.00 0.00 -0.30 0.00 0.00 42.92 39.90 3dqz s ASP 232 CO 0.04 -0.97 0.00 0.61 -0.17 0.00 0.00 175.17 174.68 3dqz n GLY 233 N 4.12 0.70 3.78 2.66 0.00 -1.26 -4.93 105.19 110.26 3dqz n GLY 233 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 3dqz n GLY 233 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dqz s GLY 234 N -1.45 2.81 0.00 -0.02 0.00 -1.16 -4.78 107.32 102.73 3dqz s GLY 234 Ca 0.00 0.73 0.00 0.00 0.00 0.00 0.00 44.72 45.45 3dqz s GLY 234 CO 0.00 1.19 0.00 2.09 0.00 0.00 0.00 173.10 176.38 3dqz n ASP 235 N 0.24 0.00 -0.19 1.64 5.68 -1.26 -1.20 116.55 121.47 3dqz n ASP 235 Ca 0.03 -0.56 -0.07 0.00 -0.50 0.00 0.00 54.79 53.70 3dqz n ASP 235 Cb 0.49 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.49 3dqz n ASP 235 CO 0.00 0.00 0.00 -0.74 -1.33 0.00 0.00 177.20 175.13 3dqz h HIS 236 N -0.17 0.72 -0.53 2.11 -0.00 -1.75 -3.11 115.15 112.42 3dqz h HIS 236 Ca 0.00 -0.01 -0.71 0.00 -0.00 0.00 0.00 60.37 59.65 3dqz h HIS 236 Cb 0.00 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.12 3dqz h HIS 236 CO 0.00 0.51 3.07 -1.33 -0.00 0.00 0.00 177.93 180.18 3dqz n MET 237 N -4.65 3.85 0.29 5.26 2.81 -1.11 -4.73 117.12 118.85 3dqz n MET 237 Ca 0.03 -2.82 0.19 0.00 -1.81 0.00 0.00 57.70 53.28 3dqz n MET 237 Cb 0.07 -2.84 0.83 0.00 -0.71 0.00 0.00 33.22 30.57 3dqz n MET 237 CO 0.00 0.00 0.00 -0.24 1.51 0.00 0.00 175.97 177.24 3dqz h VAL 238 N 3.12 0.00 0.00 2.03 3.04 -1.88 -0.76 116.25 121.80 3dqz h VAL 238 Ca 0.72 -0.37 0.00 0.00 -1.01 0.00 0.00 66.70 66.04 3dqz h VAL 238 Cb 0.38 1.36 0.00 0.00 -2.01 0.00 0.00 31.29 31.03 3dqz h VAL 238 CO 1.69 0.00 0.00 1.15 -1.01 0.00 0.00 177.57 179.40 3dqz n MET 239 N -3.07 0.22 -0.05 4.17 0.00 -1.26 -1.06 117.12 116.07 3dqz n MET 239 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 57.70 57.66 3dqz n MET 239 Cb 0.24 -1.50 -0.05 0.00 0.00 0.00 0.00 33.22 31.91 3dqz n MET 239 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 3dqz n LEU 240 N -1.38 1.97 -0.07 3.17 4.77 -0.39 -4.30 117.00 120.78 3dqz n LEU 240 Ca 0.10 -0.04 -0.16 0.00 -0.03 0.00 0.00 56.01 55.89 3dqz n LEU 240 Cb 0.27 -0.17 -0.13 0.00 -2.33 0.00 0.00 43.42 41.05 3dqz n LEU 240 CO 0.23 0.51 0.20 0.77 -1.33 0.00 0.00 177.39 177.78 3dqz h SER 241 N 0.00 0.03 -2.20 -1.43 4.64 -1.35 -3.42 113.55 109.82 3dqz h SER 241 Ca -0.23 -0.91 -0.58 0.00 -0.47 0.00 0.00 61.79 59.60 3dqz h SER 241 Cb 1.41 -0.01 -0.42 0.00 -0.31 0.00 0.00 62.40 63.07 3dqz h SER 241 CO -0.02 1.12 -0.71 0.29 -0.87 0.00 0.00 176.83 176.64 3dqz n LYS 242 N -4.54 2.58 -0.27 4.77 4.76 -0.23 -4.92 118.16 120.31 3dqz n LYS 242 Ca -0.14 -4.53 -0.06 0.00 -2.87 0.00 0.00 58.31 50.70 3dqz n LYS 242 Cb 0.54 -2.12 0.06 0.00 -1.84 0.00 0.00 35.03 31.67 3dqz n LYS 242 CO 0.00 0.00 0.00 -1.35 -1.37 0.00 0.00 177.40 174.68 3dqz h PRO 243 N 3.48 1.16 -0.36 1.97 0.11 -1.73 -0.43 132.00 136.19 3dqz h PRO 243 Ca 0.15 -0.24 -0.13 0.00 0.11 0.00 0.00 66.00 65.89 3dqz h PRO 243 Cb 0.63 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3dqz h PRO 243 CO 0.77 0.97 -0.28 0.37 -0.21 0.00 0.00 178.00 179.62 3dqz h GLN 244 N 1.11 0.83 -0.38 1.05 5.75 -1.91 -0.76 115.11 120.80 3dqz h GLN 244 Ca 0.25 -0.41 -0.11 0.00 -0.15 0.00 0.00 58.65 58.23 3dqz h GLN 244 Cb 0.28 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.81 3dqz h GLN 244 CO -0.01 1.04 -0.22 0.87 -2.65 0.00 0.00 178.83 177.86 3dqz h LYS 245 N 0.62 0.75 -0.93 1.69 6.56 -1.89 -0.52 116.57 122.85 3dqz h LYS 245 Ca 0.07 -0.30 0.03 0.00 -1.06 0.00 0.00 60.65 59.39 3dqz h LYS 245 Cb 0.85 -0.04 -0.05 0.00 -0.57 0.00 0.00 32.23 32.42 3dqz h LYS 245 CO 0.07 0.90 0.60 1.25 -2.06 0.00 0.00 179.45 180.22 3dqz h LEU 246 N 0.65 1.01 -0.69 2.94 5.85 -0.92 -0.56 115.31 123.59 3dqz h LEU 246 Ca 0.09 -0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 3dqz h LEU 246 Cb 0.72 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.49 3dqz h LEU 246 CO 0.06 0.69 0.16 0.15 -0.34 0.00 0.00 178.44 179.16 3dqz h PHE 247 N 1.18 1.16 -0.41 1.25 3.57 -0.59 -1.81 116.94 121.28 3dqz h PHE 247 Ca 0.37 -0.14 -0.00 0.00 3.53 0.00 0.00 57.97 61.72 3dqz h PHE 247 Cb -0.01 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 38.39 3dqz h PHE 247 CO -0.01 0.95 0.24 -0.44 -2.23 0.00 0.00 178.31 176.82 3dqz h ASP 248 N 1.04 0.49 0.08 0.41 3.32 -0.47 0.35 116.42 121.63 3dqz h ASP 248 Ca 0.21 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.21 3dqz h ASP 248 Cb 0.38 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 39.79 3dqz h ASP 248 CO 0.00 0.41 -0.12 0.28 -1.72 0.00 0.00 179.24 178.09 3dqz h SER 249 N 0.54 -0.33 0.16 6.45 0.02 -0.88 0.00 113.55 119.51 3dqz h SER 249 Ca 0.15 0.04 -0.06 0.00 -0.84 0.00 0.00 61.79 61.07 3dqz h SER 249 Cb 0.01 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.66 3dqz h SER 249 CO -0.03 -0.18 -0.23 -0.07 -1.14 0.00 0.00 176.83 175.18 3dqz h LEU 250 N -0.25 0.13 -0.60 5.07 3.38 -1.24 0.04 115.31 121.85 3dqz h LEU 250 Ca 0.02 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3dqz h LEU 250 Cb 0.26 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3dqz h LEU 250 CO -0.06 0.37 -0.43 -1.28 0.09 0.00 0.00 178.44 177.13 3dqz h SER 251 N 0.13 0.66 -0.41 -0.43 0.87 -0.57 -0.37 113.55 113.43 3dqz h SER 251 Ca 0.02 -0.31 -0.10 0.00 -1.23 0.00 0.00 61.79 60.17 3dqz h SER 251 Cb 0.49 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3dqz h SER 251 CO 0.03 1.01 -0.13 0.00 -0.53 0.00 0.00 176.83 177.21 3dqz h ALA 252 N 1.02 0.56 -0.54 6.23 0.00 -0.32 -2.54 119.26 123.67 3dqz h ALA 252 Ca 0.04 -0.33 0.01 0.00 0.00 0.00 0.00 54.91 54.62 3dqz h ALA 252 Cb 0.96 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 3dqz h ALA 252 CO 0.09 0.46 0.35 0.82 0.00 0.00 0.00 179.25 180.97 3dqz h ILE 253 N 0.62 1.13 -0.93 0.00 2.04 -0.85 -0.74 117.51 118.79 3dqz h ILE 253 Ca 0.10 -0.25 0.01 0.00 1.00 0.00 0.00 64.86 65.72 3dqz h ILE 253 Cb 0.66 0.35 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 3dqz h ILE 253 CO 0.05 0.13 0.62 0.00 0.00 0.00 0.00 178.15 178.94 3dqz h ALA 254 N 1.20 1.18 0.06 1.87 0.00 -1.02 -1.23 119.26 121.32 3dqz h ALA 254 Ca 0.20 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3dqz h ALA 254 Cb -0.08 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.33 3dqz h ALA 254 CO -0.04 0.57 -0.03 1.15 0.00 0.00 0.00 179.25 180.90 3dqz h THR 255 N 1.26 1.11 0.00 0.00 2.02 -1.09 -3.08 112.91 113.13 3dqz h THR 255 Ca 0.34 -0.59 -0.00 0.00 0.77 0.00 0.00 66.41 66.93 3dqz h THR 255 Cb -0.14 1.50 -0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3dqz h THR 255 CO -0.07 0.15 -0.01 0.44 0.37 0.00 0.00 175.52 176.39 3dqz h ASP 256 N -0.34 0.00 0.00 4.18 3.32 -0.86 -3.52 116.42 119.20 3dqz h ASP 256 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 3dqz h ASP 256 Cb 0.30 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.85 3dqz h ASP 256 CO 0.01 0.01 0.00 -1.22 -1.72 0.00 0.00 179.24 176.32