#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqk h PRO -1 N 0.00 0.00 -0.01 -0.67 0.11 -2.06 -0.27 132.00 129.10 3dqk h PRO -1 Ca 0.00 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3dqk h PRO -1 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dqk h PRO -1 CO 0.00 0.00 -0.12 1.98 -0.21 0.00 0.00 178.00 179.65 3dqk h MET 0 N 0.00 0.09 -0.57 1.05 1.85 -2.03 -2.72 114.93 112.60 3dqk h MET 0 Ca 0.00 -0.09 0.05 0.00 -0.61 0.00 0.00 59.70 59.05 3dqk h MET 0 Cb 0.47 0.02 -0.05 0.00 0.43 0.00 0.00 31.60 32.48 3dqk h MET 0 CO 0.00 0.83 0.30 0.28 -0.40 0.00 0.00 176.91 177.91 3dqk h VAL 1 N -0.62 0.96 -0.74 -5.77 2.07 -1.59 -2.38 116.25 108.18 3dqk h VAL 1 Ca -0.01 -0.20 0.17 0.00 0.82 0.00 0.00 66.70 67.48 3dqk h VAL 1 Cb 0.86 0.34 -0.12 0.00 -1.52 0.00 0.00 31.29 30.86 3dqk h VAL 1 CO 0.02 0.10 0.13 -1.28 0.02 0.00 0.00 177.57 176.57 3dqk h SER 2 N 0.57 -0.08 -0.97 0.57 0.87 -1.17 -1.15 113.55 112.20 3dqk h SER 2 Ca 0.25 0.16 0.05 0.00 -1.23 0.00 0.00 61.79 61.02 3dqk h SER 2 Cb 0.15 0.24 -0.06 0.00 -0.44 0.00 0.00 62.40 62.29 3dqk h SER 2 CO -0.17 -0.08 0.63 0.50 -0.53 0.00 0.00 176.83 177.18 3dqk h LYS 3 N 0.22 1.15 -0.09 2.24 3.64 -1.09 0.90 116.57 123.54 3dqk h LYS 3 Ca 0.42 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.65 3dqk h LYS 3 Cb 0.73 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.29 3dqk h LYS 3 CO -0.55 0.76 -0.25 0.78 -2.27 0.00 0.00 179.45 177.92 3dqk h GLY 4 N 1.19 0.36 0.68 5.01 0.00 -1.49 -3.13 103.07 105.69 3dqk h GLY 4 Ca 0.39 -0.46 0.06 0.00 0.00 0.00 0.00 47.33 47.33 3dqk h GLY 4 CO -0.13 0.41 0.43 0.83 0.00 0.00 0.00 176.54 178.08 3dqk h GLU 5 N -0.13 0.76 0.00 4.80 5.08 -0.64 -2.02 114.58 122.43 3dqk h GLU 5 Ca -0.01 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 3dqk h GLU 5 Cb 0.86 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.94 3dqk h GLU 5 CO 0.05 0.51 0.00 0.93 -1.00 0.00 0.00 179.01 179.50 3dqk h GLU 6 N 0.79 0.00 0.00 2.33 5.08 -0.80 -2.75 114.58 119.23 3dqk h GLU 6 Ca 0.33 0.00 -0.29 0.00 -1.00 0.00 0.00 59.36 58.41 3dqk h GLU 6 Cb 0.20 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.40 3dqk h GLU 6 CO -0.18 0.00 -1.66 -0.07 -1.00 0.00 0.00 179.01 176.10 3dqk h LEU 7 N 0.00 0.01 -2.96 1.33 3.38 -1.32 -3.40 115.31 112.34 3dqk h LEU 7 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3dqk h LEU 7 Cb 0.38 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.13 3dqk h LEU 7 CO 0.00 1.02 0.00 0.49 0.09 0.00 0.00 178.44 180.04 3dqk n PHE 8 N -3.08 0.39 -0.17 1.13 3.01 -1.11 -4.81 117.46 112.83 3dqk n PHE 8 Ca -0.16 -0.56 -0.03 0.00 1.01 0.00 0.00 57.45 57.71 3dqk n PHE 8 Cb 1.04 -0.07 0.18 0.00 -0.01 0.00 0.00 39.48 40.62 3dqk n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqk h THR 9 N 1.45 1.23 -0.83 4.37 1.35 -1.72 -3.37 112.91 115.38 3dqk h THR 9 Ca 0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 3dqk h THR 9 Cb 0.77 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.71 3dqk h THR 9 CO 0.03 0.29 0.00 0.61 -0.25 0.00 0.00 175.52 176.20 3dqk n GLY 10 N -0.96 3.96 3.72 5.82 0.00 -1.26 -4.74 105.19 111.73 3dqk n GLY 10 Ca 0.05 -1.81 -0.39 0.00 0.00 0.00 0.00 46.02 43.87 3dqk n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqk s VAL 11 N 2.69 5.05 -0.13 1.61 1.01 -1.26 -4.48 120.40 124.89 3dqk s VAL 11 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 61.98 63.32 3dqk s VAL 11 Cb 0.00 -3.98 0.00 0.00 0.00 0.00 0.00 36.38 32.40 3dqk s VAL 11 CO 0.00 0.29 -0.19 -0.69 0.00 0.00 0.00 175.10 174.51 3dqk s VAL 12 N 0.61 2.35 0.51 2.92 1.01 0.33 -4.95 120.40 123.19 3dqk s VAL 12 Ca 0.34 -0.89 -0.22 0.00 0.00 0.00 0.00 61.98 61.21 3dqk s VAL 12 Cb -0.17 -1.95 -0.06 0.00 0.00 0.00 0.00 36.38 34.19 3dqk s VAL 12 CO 0.16 0.54 1.24 -2.16 0.00 0.00 0.00 175.10 174.89 3dqk s PRO 13 N 0.66 3.42 0.05 2.72 0.04 -1.26 -0.53 135.00 140.10 3dqk s PRO 13 Ca -0.10 1.95 0.07 0.00 0.04 0.00 0.00 61.00 62.96 3dqk s PRO 13 Cb -0.16 -2.29 -0.02 0.00 0.04 0.00 0.00 34.50 32.07 3dqk s PRO 13 CO 0.02 -0.88 -0.18 0.42 0.04 0.00 0.00 177.00 176.42 3dqk s ILE 14 N -1.46 1.49 -0.04 0.56 1.01 0.79 -1.35 121.20 122.20 3dqk s ILE 14 Ca 0.68 -1.17 0.03 0.00 0.00 0.00 0.00 60.65 60.20 3dqk s ILE 14 Cb -0.33 -1.31 0.00 0.00 0.01 0.00 0.00 42.46 40.83 3dqk s ILE 14 CO 0.39 0.11 -0.13 -0.22 0.00 0.00 0.00 174.94 175.10 3dqk s LEU 15 N -1.24 1.81 0.00 2.97 2.96 -0.59 -2.06 118.68 122.54 3dqk s LEU 15 Ca 0.05 -0.28 0.06 0.00 -0.22 0.00 0.00 54.13 53.75 3dqk s LEU 15 Cb -0.09 -0.78 -0.02 0.00 0.50 0.00 0.00 46.19 45.81 3dqk s LEU 15 CO 0.02 0.10 -0.19 -0.69 -1.32 0.00 0.00 176.35 174.26 3dqk s VAL 16 N 0.21 1.54 -0.03 1.68 1.01 0.82 -1.16 120.40 124.48 3dqk s VAL 16 Ca -0.05 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.00 3dqk s VAL 16 Cb -0.11 -1.30 0.02 0.00 0.00 0.00 0.00 36.38 34.99 3dqk s VAL 16 CO 0.02 0.36 -0.01 -1.61 0.00 0.00 0.00 175.10 173.86 3dqk s GLU 17 N -0.67 0.33 -0.07 2.72 0.41 -0.15 -0.19 118.70 121.08 3dqk s GLU 17 Ca 0.07 0.04 0.02 0.00 -0.41 0.00 0.00 54.97 54.68 3dqk s GLU 17 Cb -0.08 -0.47 0.02 0.00 -1.78 0.00 0.00 34.13 31.82 3dqk s GLU 17 CO -0.00 -0.10 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.39 3dqk s LEU 18 N 0.85 1.53 -0.23 1.80 0.20 0.13 -0.62 118.68 122.34 3dqk s LEU 18 Ca -0.09 -0.29 -0.07 0.00 0.69 0.00 0.00 54.13 54.37 3dqk s LEU 18 Cb -0.12 -0.80 -0.03 0.00 -0.43 0.00 0.00 46.19 44.80 3dqk s LEU 18 CO -0.01 -0.00 0.07 -1.81 -0.29 0.00 0.00 176.35 174.30 3dqk s ASP 19 N 0.90 5.26 0.06 3.68 1.01 -0.62 -1.13 116.67 125.82 3dqk s ASP 19 Ca -0.10 -0.13 0.06 0.00 0.71 0.00 0.00 52.55 53.08 3dqk s ASP 19 Cb -0.15 -1.93 -0.03 0.00 1.01 0.00 0.00 42.92 41.82 3dqk s ASP 19 CO 0.01 0.02 -0.16 -0.83 0.21 0.00 0.00 175.17 174.42 3dqk s GLY 20 N 1.27 0.92 -0.23 0.21 0.00 0.41 -0.99 107.32 108.90 3dqk s GLY 20 Ca 0.05 -0.97 -0.03 0.00 0.00 0.00 0.00 44.72 43.77 3dqk s GLY 20 CO 0.03 -0.96 0.26 -0.35 0.00 0.00 0.00 173.10 172.09 3dqk s ASP 21 N -1.44 1.33 -0.24 1.64 -1.08 -0.95 -0.90 116.67 115.02 3dqk s ASP 21 Ca 0.02 -0.31 -0.02 0.00 -0.52 0.00 0.00 52.55 51.72 3dqk s ASP 21 Cb -0.09 0.51 0.02 0.00 -1.46 0.00 0.00 42.92 41.90 3dqk s ASP 21 CO 0.02 -0.34 -0.06 -0.69 0.52 0.00 0.00 175.17 174.62 3dqk s VAL 22 N 2.36 2.95 -1.16 1.11 1.01 -0.50 -0.15 120.40 126.01 3dqk s VAL 22 Ca 0.08 -0.93 -0.06 0.00 0.00 0.00 0.00 61.98 61.07 3dqk s VAL 22 Cb -0.15 -2.46 0.05 0.00 0.00 0.00 0.00 36.38 33.82 3dqk s VAL 22 CO -0.18 0.24 0.34 0.59 0.00 0.00 0.00 175.10 176.09 3dqk n ASN 23 N 4.69 -3.62 0.00 3.32 4.13 -0.39 -0.98 115.26 122.42 3dqk n ASN 23 Ca -0.17 -0.20 0.00 0.00 1.68 0.00 0.00 54.58 55.90 3dqk n ASN 23 Cb 0.48 -3.02 0.00 0.00 -1.54 0.00 0.00 39.78 35.69 3dqk n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqk n GLY 24 N -1.04 0.72 3.52 7.41 0.00 -1.26 -4.99 105.19 109.55 3dqk n GLY 24 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 3dqk n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqk s HIS 25 N -2.92 2.60 0.37 1.61 3.76 -0.15 -5.03 115.29 115.53 3dqk s HIS 25 Ca 0.00 -0.06 -0.24 0.00 -0.15 0.00 0.00 55.06 54.60 3dqk s HIS 25 Cb 0.00 -4.35 -0.10 0.00 1.11 0.00 0.00 32.58 29.24 3dqk s HIS 25 CO 0.00 -1.65 0.97 0.15 -0.85 0.00 0.00 174.74 173.36 3dqk s LYS 26 N 4.61 4.41 0.03 1.40 1.02 -1.26 -1.42 119.74 128.53 3dqk s LYS 26 Ca 0.32 1.32 -0.28 0.00 0.02 0.00 0.00 55.97 57.35 3dqk s LYS 26 Cb -0.11 -2.59 0.10 0.00 -0.52 0.00 0.00 37.83 34.70 3dqk s LYS 26 CO 0.17 0.11 0.86 -0.59 -0.92 0.00 0.00 175.35 174.99 3dqk s PHE 27 N -1.76 -0.35 0.00 3.18 -0.71 -0.08 -4.93 117.98 113.33 3dqk s PHE 27 Ca 0.55 0.19 0.03 0.00 -1.04 0.00 0.00 56.93 56.66 3dqk s PHE 27 Cb -0.17 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.18 3dqk s PHE 27 CO 0.22 -0.60 -0.11 -1.12 -1.34 0.00 0.00 175.22 172.27 3dqk s SER 28 N -2.55 1.24 -0.02 1.98 0.01 -1.26 -0.45 113.70 112.65 3dqk s SER 28 Ca 0.05 -0.25 0.02 0.00 1.31 0.00 0.00 55.95 57.08 3dqk s SER 28 Cb -0.01 -0.12 0.00 0.00 0.21 0.00 0.00 66.02 66.11 3dqk s SER 28 CO -0.08 0.09 -0.06 -0.69 0.41 0.00 0.00 173.24 172.90 3dqk s VAL 29 N -0.41 0.52 -0.08 3.43 1.01 -0.28 -2.08 120.40 122.51 3dqk s VAL 29 Ca 0.03 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.79 3dqk s VAL 29 Cb -0.05 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.83 3dqk s VAL 29 CO -0.00 0.17 -0.11 -0.44 0.00 0.00 0.00 175.10 174.72 3dqk s SER 30 N 0.17 4.27 0.16 3.32 0.01 -0.67 0.22 113.70 121.18 3dqk s SER 30 Ca -0.02 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.13 3dqk s SER 30 Cb -0.06 -1.21 -0.04 0.00 0.21 0.00 0.00 66.02 64.92 3dqk s SER 30 CO -0.00 0.29 -0.12 -0.83 0.41 0.00 0.00 173.24 172.99 3dqk s GLY 31 N -0.39 1.17 -0.05 3.44 0.00 0.74 -0.67 107.32 111.55 3dqk s GLY 31 Ca 0.05 -1.48 -0.10 0.00 0.00 0.00 0.00 44.72 43.19 3dqk s GLY 31 CO 0.02 -1.57 0.24 -0.54 0.00 0.00 0.00 173.10 171.25 3dqk s GLU 32 N -3.41 0.45 0.00 2.90 2.02 -0.91 -0.13 118.70 119.62 3dqk s GLU 32 Ca 0.16 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.16 3dqk s GLU 32 Cb -0.00 0.20 0.00 0.00 0.10 0.00 0.00 34.13 34.43 3dqk s GLU 32 CO 0.03 -0.10 0.00 0.41 0.02 0.00 0.00 175.26 175.62 3dqk n GLY 33 N 2.10 -0.81 3.28 -1.39 0.00 -0.88 -0.82 105.19 106.68 3dqk n GLY 33 Ca -0.18 -0.25 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 3dqk n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqk s GLU 34 N -0.60 0.86 0.13 1.61 -1.05 -0.02 -0.15 118.70 119.48 3dqk s GLU 34 Ca 0.00 -0.43 0.10 0.00 -0.15 0.00 0.00 54.97 54.49 3dqk s GLU 34 Cb 0.00 0.38 -0.04 0.00 -0.44 0.00 0.00 34.13 34.03 3dqk s GLU 34 CO 0.00 -0.29 -0.25 0.20 0.95 0.00 0.00 175.26 175.88 3dqk s GLY 35 N -2.02 1.50 -0.42 -3.83 0.00 0.31 -1.56 107.32 101.30 3dqk s GLY 35 Ca -0.05 -1.43 0.02 0.00 0.00 0.00 0.00 44.72 43.26 3dqk s GLY 35 CO -0.03 -1.42 0.29 -0.35 0.00 0.00 0.00 173.10 171.58 3dqk s ASP 36 N -2.10 2.65 0.61 1.64 -1.08 0.64 -0.51 116.67 118.52 3dqk s ASP 36 Ca 0.13 -2.72 0.38 0.00 -0.52 0.00 0.00 52.55 49.82 3dqk s ASP 36 Cb -0.10 -0.62 1.95 0.00 -1.46 0.00 0.00 42.92 42.69 3dqk s ASP 36 CO 0.06 -0.23 2.21 0.00 0.52 0.00 0.00 175.17 177.73 3dqk h ALA 37 N 6.32 1.07 -0.71 3.66 0.00 -1.75 -0.31 119.26 127.55 3dqk h ALA 37 Ca 0.13 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.08 3dqk h ALA 37 Cb 0.92 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3dqk h ALA 37 CO 0.38 0.02 0.47 1.15 0.00 0.00 0.00 179.25 181.27 3dqk h THR 38 N 0.00 1.04 -0.16 0.00 2.02 -1.85 -2.07 112.91 111.89 3dqk h THR 38 Ca -0.00 -0.26 0.00 0.00 0.77 0.00 0.00 66.41 66.92 3dqk h THR 38 Cb 0.20 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3dqk h THR 38 CO 0.00 0.14 0.00 -1.22 0.37 0.00 0.00 175.52 174.81 3dqk n TYR 39 N -4.47 0.19 -2.35 3.16 4.01 -0.68 -4.93 117.16 112.08 3dqk n TYR 39 Ca 0.10 -0.12 -0.19 0.00 -0.16 0.00 0.00 57.90 57.53 3dqk n TYR 39 Cb 0.20 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.21 3dqk n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqk n GLY 40 N 1.14 -0.40 3.61 2.72 0.00 -0.74 -4.72 105.19 106.80 3dqk n GLY 40 Ca 0.14 -0.08 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3dqk n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqk s LYS 41 N -4.94 3.86 -0.03 1.61 2.20 -0.21 -0.73 119.74 121.51 3dqk s LYS 41 Ca 0.00 -0.39 0.04 0.00 -0.36 0.00 0.00 55.97 55.27 3dqk s LYS 41 Cb 0.00 -3.12 -0.00 0.00 -1.51 0.00 0.00 37.83 33.19 3dqk s LYS 41 CO 0.00 0.29 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.62 3dqk s LEU 42 N 0.30 1.93 -0.11 5.43 1.02 -0.38 -0.26 118.68 126.60 3dqk s LEU 42 Ca 0.02 -0.31 -0.01 0.00 0.02 0.00 0.00 54.13 53.85 3dqk s LEU 42 Cb -0.13 -0.86 0.03 0.00 0.02 0.00 0.00 46.19 45.25 3dqk s LEU 42 CO 0.01 0.15 -0.05 -0.89 0.02 0.00 0.00 176.35 175.59 3dqk s THR 43 N -0.06 0.86 0.01 5.49 2.01 -0.60 -1.53 115.64 121.81 3dqk s THR 43 Ca -0.01 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 3dqk s THR 43 Cb -0.09 -0.93 -0.01 0.00 0.01 0.00 0.00 72.50 71.47 3dqk s THR 43 CO 0.01 0.31 0.01 -0.76 -0.69 0.00 0.00 174.62 173.50 3dqk s LEU 44 N 1.77 2.03 -0.07 4.42 1.43 -0.30 -0.84 118.68 127.12 3dqk s LEU 44 Ca 0.05 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 3dqk s LEU 44 Cb -0.13 0.17 0.01 0.00 0.03 0.00 0.00 46.19 46.28 3dqk s LEU 44 CO -0.07 -0.21 -0.15 -0.75 0.23 0.00 0.00 176.35 175.40 3dqk s LYS 45 N -0.94 2.03 -0.03 1.70 2.20 -0.00 -0.60 119.74 124.09 3dqk s LYS 45 Ca -0.10 -0.53 0.03 0.00 -0.36 0.00 0.00 55.97 55.01 3dqk s LYS 45 Cb -0.06 -1.63 -0.03 0.00 -1.51 0.00 0.00 37.83 34.60 3dqk s LYS 45 CO -0.00 0.07 -0.12 -0.06 -0.36 0.00 0.00 175.35 174.88 3dqk s PHE 46 N 0.58 2.77 -0.06 4.03 0.08 0.50 -2.14 117.98 123.73 3dqk s PHE 46 Ca -0.16 -0.11 0.01 0.00 0.12 0.00 0.00 56.93 56.80 3dqk s PHE 46 Cb -0.16 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3dqk s PHE 46 CO 0.05 0.26 -0.08 0.42 -0.10 0.00 0.00 175.22 175.77 3dqk s ILE 47 N -0.82 0.86 -0.37 0.64 1.01 0.15 -0.96 121.20 121.72 3dqk s ILE 47 Ca 0.13 -0.30 -0.29 0.00 0.00 0.00 0.00 60.65 60.19 3dqk s ILE 47 Cb -0.11 -0.84 0.02 0.00 0.01 0.00 0.00 42.46 41.55 3dqk s ILE 47 CO 0.02 0.30 1.12 0.00 0.00 0.00 0.00 174.94 176.38 3dqk n THR 49 N 6.21 0.15 0.42 0.00 -2.24 -0.88 -3.70 114.28 114.24 3dqk n THR 49 Ca 0.12 -0.39 0.07 0.00 -2.27 0.00 0.00 64.05 61.58 3dqk n THR 49 Cb 0.48 0.64 0.08 0.00 -2.10 0.00 0.00 70.33 69.43 3dqk n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqk n THR 50 N 0.56 0.19 0.00 4.28 -2.24 -1.26 -4.99 114.28 110.82 3dqk n THR 50 Ca 0.17 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 3dqk n THR 50 Cb 0.41 1.13 0.00 0.00 -2.10 0.00 0.00 70.33 69.77 3dqk n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqk n GLY 51 N 0.76 0.10 3.74 3.38 0.00 -1.24 -5.01 105.19 106.93 3dqk n GLY 51 Ca 0.09 -1.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 3dqk n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqk s LYS 52 N 0.00 4.53 -0.02 1.61 2.20 -1.26 -4.39 119.74 122.41 3dqk s LYS 52 Ca 0.00 1.14 -0.30 0.00 -0.36 0.00 0.00 55.97 56.45 3dqk s LYS 52 Cb 0.00 -3.37 -0.03 0.00 -1.51 0.00 0.00 37.83 32.92 3dqk s LYS 52 CO 0.00 0.27 1.05 -1.17 -0.36 0.00 0.00 175.35 175.13 3dqk s LEU 53 N -0.03 4.33 0.00 5.43 2.96 -1.26 -4.93 118.68 125.18 3dqk s LEU 53 Ca 0.40 1.70 0.17 0.00 -0.22 0.00 0.00 54.13 56.18 3dqk s LEU 53 Cb -0.21 -3.57 0.73 0.00 0.50 0.00 0.00 46.19 43.64 3dqk s LEU 53 CO 0.24 -0.38 1.50 -0.81 -1.32 0.00 0.00 176.35 175.59 3dqk n PRO 54 N 4.34 1.44 -4.32 0.98 -0.04 -1.26 -4.79 135.00 131.35 3dqk n PRO 54 Ca 0.08 -0.66 -0.17 0.00 -0.04 0.00 0.00 63.50 62.70 3dqk n PRO 54 Cb 0.49 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 3dqk n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqk s VAL 55 N -1.84 1.26 0.21 0.52 -7.23 -1.26 -4.56 120.40 107.51 3dqk s VAL 55 Ca 0.26 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.05 3dqk s VAL 55 Cb 0.13 -2.17 -0.09 0.00 0.56 0.00 0.00 36.38 34.81 3dqk s VAL 55 CO 0.21 -0.48 1.37 -2.84 -0.31 0.00 0.00 175.10 173.04 3dqk s PRO 56 N -3.78 4.34 0.29 4.82 0.02 -1.26 -4.93 135.00 134.50 3dqk s PRO 56 Ca 0.24 2.16 0.04 0.00 0.02 0.00 0.00 61.00 63.46 3dqk s PRO 56 Cb 0.04 -3.16 0.75 0.00 0.02 0.00 0.00 34.50 32.14 3dqk s PRO 56 CO 0.06 -0.33 1.69 -1.49 -0.33 0.00 0.00 177.00 176.61 3dqk h TRP 57 N 5.34 0.65 -0.22 6.54 4.06 -1.95 -0.83 115.95 129.55 3dqk h TRP 57 Ca -0.45 0.04 0.06 0.00 2.06 0.00 0.00 58.89 60.61 3dqk h TRP 57 Cb 1.21 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3dqk h TRP 57 CO 0.61 -0.06 0.16 -1.35 -3.56 0.00 0.00 178.44 174.25 3dqk h PRO 58 N 0.39 0.00 0.00 0.49 0.11 -1.90 -1.02 132.00 130.08 3dqk h PRO 58 Ca 0.57 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.68 3dqk h PRO 58 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dqk h PRO 58 CO -0.54 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.04 3dqk h THR 59 N 0.00 0.00 -0.01 -1.15 1.35 -1.52 -2.87 112.91 108.71 3dqk h THR 59 Ca 0.11 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 3dqk h THR 59 Cb 0.43 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3dqk h THR 59 CO -0.00 0.00 -0.56 0.18 -0.25 0.00 0.00 175.52 174.89 3dqk n LEU 60 N -2.51 1.50 -0.06 3.87 4.77 -0.39 -4.67 117.00 119.51 3dqk n LEU 60 Ca 0.01 -0.55 -0.10 0.00 -0.03 0.00 0.00 56.01 55.34 3dqk n LEU 60 Cb 0.24 -0.04 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 3dqk n LEU 60 CO 0.21 0.30 0.96 0.58 -1.33 0.00 0.00 177.39 178.11 3dqk h VAL 61 N 1.47 1.07 -0.27 4.08 2.07 -1.53 -0.97 116.25 122.16 3dqk h VAL 61 Ca 0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 3dqk h VAL 61 Cb 0.63 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 3dqk h VAL 61 CO 0.00 0.07 0.00 0.71 0.02 0.00 0.00 177.57 178.37 3dqk h THR 62 N 0.31 1.16 -0.17 2.57 1.35 -1.83 -2.84 112.91 113.46 3dqk h THR 62 Ca 0.09 -0.64 -0.06 0.00 -0.55 0.00 0.00 66.41 65.24 3dqk h THR 62 Cb -0.02 0.96 -0.00 0.00 -1.73 0.00 0.00 68.15 67.36 3dqk h THR 62 CO -0.02 0.22 -0.14 0.74 -0.25 0.00 0.00 175.52 176.07 3dqk h THR 63 N 0.39 1.33 0.00 6.82 2.02 -1.65 -3.45 112.91 118.38 3dqk h THR 63 Ca 0.09 -1.26 -0.15 0.00 0.77 0.00 0.00 66.41 65.85 3dqk h THR 63 Cb 0.26 1.80 -0.01 0.00 -1.74 0.00 0.00 68.15 68.45 3dqk h THR 63 CO 0.01 0.38 0.90 0.49 0.37 0.00 0.00 175.52 177.66 3dqk n PHE 64 N -4.55 0.37 0.00 3.16 3.72 -0.45 -5.06 117.46 114.65 3dqk n PHE 64 Ca -0.06 -0.98 0.00 0.00 -0.05 0.00 0.00 57.45 56.36 3dqk n PHE 64 Cb 0.35 -1.08 0.00 0.00 -0.94 0.00 0.00 39.48 37.81 3dqk n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqk n LEU 68 N 3.39 0.00 0.21 4.37 4.77 -1.26 -5.05 117.00 123.44 3dqk n LEU 68 Ca 0.23 0.00 0.15 0.00 -0.03 0.00 0.00 56.01 56.36 3dqk n LEU 68 Cb 0.28 0.00 0.68 0.00 -2.33 0.00 0.00 43.42 42.04 3dqk n LEU 68 CO 0.36 0.00 0.94 0.24 -1.33 0.00 0.00 177.39 177.60 3dqk h MET 69 N 0.00 0.00 0.00 3.23 2.86 -2.00 -1.57 114.93 117.45 3dqk h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqk h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqk h MET 69 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3dqk n PHE 71 N -2.66 0.56 -1.96 0.00 3.72 -0.59 -4.71 117.46 111.83 3dqk n PHE 71 Ca -0.01 -0.27 -0.40 0.00 -0.05 0.00 0.00 57.45 56.71 3dqk n PHE 71 Cb 0.10 -0.02 -0.00 0.00 -0.94 0.00 0.00 39.48 38.62 3dqk n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqk s ALA 72 N -1.49 3.36 -0.54 4.37 0.00 -0.70 -4.01 121.76 122.75 3dqk s ALA 72 Ca 0.27 1.36 -0.26 0.00 0.00 0.00 0.00 51.96 53.33 3dqk s ALA 72 Cb 0.14 -3.53 0.04 0.00 0.00 0.00 0.00 23.12 19.77 3dqk s ALA 72 CO 0.18 -0.92 1.02 0.50 0.00 0.00 0.00 175.76 176.53 3dqk s ARG 73 N -2.18 3.43 -0.28 0.00 3.52 0.18 -4.77 118.95 118.84 3dqk s ARG 73 Ca 0.56 -0.03 -0.22 0.00 -0.13 0.00 0.00 55.73 55.90 3dqk s ARG 73 Cb -0.41 -4.02 -0.01 0.00 -1.56 0.00 0.00 34.95 28.95 3dqk s ARG 73 CO 0.54 -1.50 0.74 0.71 -0.81 0.00 0.00 175.30 174.98 3dqk s TYR 74 N 4.22 3.24 0.64 5.12 1.51 -1.26 -0.90 117.35 129.93 3dqk s TYR 74 Ca 0.35 0.84 -0.17 0.00 -1.01 0.00 0.00 57.07 57.09 3dqk s TYR 74 Cb -0.11 -3.06 -0.06 0.00 -0.11 0.00 0.00 41.96 38.62 3dqk s TYR 74 CO 0.22 -0.46 0.56 -2.30 -1.11 0.00 0.00 175.55 172.46 3dqk n PRO 75 N 6.00 0.45 -0.21 -1.71 -0.02 -1.26 -4.73 135.00 133.52 3dqk n PRO 75 Ca 0.02 0.19 0.02 0.00 -2.02 0.00 0.00 63.50 61.71 3dqk n PRO 75 Cb 0.48 -1.80 0.13 0.00 -0.02 0.00 0.00 33.50 32.29 3dqk n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqk h ASP 76 N -0.02 0.02 0.23 2.55 3.58 -2.00 0.10 116.42 120.88 3dqk h ASP 76 Ca -0.46 0.12 0.00 0.00 0.42 0.00 0.00 57.03 57.11 3dqk h ASP 76 Cb 1.37 0.16 0.00 0.00 1.72 0.00 0.00 39.33 42.58 3dqk h ASP 76 CO 0.45 0.01 0.00 0.00 -2.88 0.00 0.00 179.24 176.82 3dqk n HIS 77 N -5.13 0.63 0.00 0.28 1.44 -1.26 -2.51 115.22 108.67 3dqk n HIS 77 Ca 0.10 0.30 0.07 0.00 -2.01 0.00 0.00 57.72 56.18 3dqk n HIS 77 Cb 0.35 -0.98 0.15 0.00 0.12 0.00 0.00 29.99 29.63 3dqk n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqk n MET 78 N -2.12 2.30 0.13 -1.40 2.81 0.35 -4.72 117.12 114.47 3dqk n MET 78 Ca -0.00 -1.93 0.13 0.00 -1.81 0.00 0.00 57.70 54.09 3dqk n MET 78 Cb 0.09 -1.31 0.65 0.00 -0.71 0.00 0.00 33.22 31.94 3dqk n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqk h LYS 79 N 2.52 0.03 0.00 0.03 1.79 -1.35 -1.08 116.57 118.52 3dqk h LYS 79 Ca 0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dqk h LYS 79 Cb 0.72 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 3dqk h LYS 79 CO 0.00 0.02 0.00 1.04 -1.08 0.00 0.00 179.45 179.43 3dqk n GLN 80 N -4.47 0.08 -0.26 3.15 6.02 -1.26 -2.81 117.38 117.83 3dqk n GLN 80 Ca 0.03 0.25 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 3dqk n GLN 80 Cb 0.32 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.26 3dqk n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqk n HIS 81 N -1.40 0.57 -3.15 1.08 8.25 -0.41 -4.62 115.22 115.54 3dqk n HIS 81 Ca 0.04 -0.69 -0.45 0.00 -0.26 0.00 0.00 57.72 56.35 3dqk n HIS 81 Cb 0.11 -0.15 -0.02 0.00 1.12 0.00 0.00 29.99 31.05 3dqk n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqk s ASP 82 N -1.53 6.85 0.19 0.41 -1.08 -1.12 -4.48 116.67 115.90 3dqk s ASP 82 Ca 0.29 -2.66 -0.11 0.00 -0.52 0.00 0.00 52.55 49.55 3dqk s ASP 82 Cb 0.21 -2.30 0.12 0.00 -1.46 0.00 0.00 42.92 39.49 3dqk s ASP 82 CO 0.10 -0.71 1.82 0.15 0.52 0.00 0.00 175.17 177.05 3dqk h PHE 83 N 7.88 0.92 -0.36 -5.34 3.57 -1.90 -2.98 116.94 118.73 3dqk h PHE 83 Ca 0.16 -0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 3dqk h PHE 83 Cb 0.99 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.41 3dqk h PHE 83 CO 1.05 0.64 0.22 0.74 -2.23 0.00 0.00 178.31 178.73 3dqk h PHE 84 N 0.93 0.48 -0.21 0.41 0.04 -1.88 -1.50 116.94 115.20 3dqk h PHE 84 Ca 0.24 -0.00 -0.14 0.00 2.80 0.00 0.00 57.97 60.87 3dqk h PHE 84 Cb 0.01 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.00 3dqk h PHE 84 CO -0.01 0.34 -0.44 0.87 -0.60 0.00 0.00 178.31 178.47 3dqk h LYS 85 N 0.47 0.53 -0.13 1.51 1.57 -1.84 -3.17 116.57 115.50 3dqk h LYS 85 Ca 0.13 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.61 3dqk h LYS 85 Cb 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.32 3dqk h LYS 85 CO -0.02 0.87 -0.01 0.66 -0.57 0.00 0.00 179.45 180.37 3dqk h SER 86 N 0.43 0.17 0.78 0.86 4.64 -1.14 -1.34 113.55 117.96 3dqk h SER 86 Ca 0.03 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dqk h SER 86 Cb 0.94 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 3dqk h SER 86 CO 0.08 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.26 3dqk n ALA 87 N -2.51 1.74 -2.13 5.18 0.00 -0.73 -4.81 120.51 117.25 3dqk n ALA 87 Ca -0.01 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.18 3dqk n ALA 87 Cb 0.16 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.20 3dqk n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqk s MET 88 N -3.25 3.79 0.10 0.00 1.00 -0.50 -0.36 119.30 120.08 3dqk s MET 88 Ca 0.05 0.54 0.28 0.00 0.00 0.00 0.00 55.69 56.56 3dqk s MET 88 Cb 0.10 -2.34 1.04 0.00 0.00 0.00 0.00 34.83 33.62 3dqk s MET 88 CO 0.40 -0.09 1.86 -0.35 0.00 0.00 0.00 175.02 176.84 3dqk n PRO 89 N -1.41 0.12 0.17 2.03 -0.04 -1.26 -4.85 135.00 129.77 3dqk n PRO 89 Ca 0.03 0.10 0.03 0.00 -0.04 0.00 0.00 63.50 63.62 3dqk n PRO 89 Cb 0.54 -1.64 0.39 0.00 -0.04 0.00 0.00 33.50 32.74 3dqk n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqk h GLU 90 N 0.00 0.06 0.00 0.54 3.07 -1.91 -2.53 114.58 113.82 3dqk h GLU 90 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3dqk h GLU 90 Cb 0.61 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.52 3dqk h GLU 90 CO 0.00 0.35 0.00 0.41 -1.40 0.00 0.00 179.01 178.37 3dqk n GLY 91 N -0.64 -2.20 3.15 -3.84 0.00 0.52 -4.68 105.19 97.50 3dqk n GLY 91 Ca -0.02 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.90 3dqk n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqk s TYR 92 N -0.19 0.79 -0.15 1.61 -0.85 0.26 -0.88 117.35 117.93 3dqk s TYR 92 Ca 0.00 -1.19 -0.12 0.00 -0.52 0.00 0.00 57.07 55.24 3dqk s TYR 92 Cb 0.00 -0.45 -0.05 0.00 0.38 0.00 0.00 41.96 41.85 3dqk s TYR 92 CO 0.00 -0.51 0.24 0.08 -1.52 0.00 0.00 175.55 173.84 3dqk s VAL 93 N -4.02 5.34 -0.22 -3.49 1.01 0.32 -0.82 120.40 118.51 3dqk s VAL 93 Ca 0.21 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.60 3dqk s VAL 93 Cb 0.07 -3.57 0.01 0.00 0.00 0.00 0.00 36.38 32.89 3dqk s VAL 93 CO -0.00 0.45 -0.07 -1.58 0.00 0.00 0.00 175.10 173.90 3dqk s GLN 94 N 0.11 3.16 -0.04 2.72 0.74 -0.12 -1.67 119.66 124.57 3dqk s GLN 94 Ca 0.15 -0.76 0.06 0.00 0.05 0.00 0.00 55.36 54.86 3dqk s GLN 94 Cb -0.13 -2.95 -0.02 0.00 1.10 0.00 0.00 33.01 31.01 3dqk s GLN 94 CO 0.03 -0.26 -0.20 -1.21 -0.55 0.00 0.00 175.29 173.10 3dqk s GLU 95 N 1.41 2.34 0.11 1.67 2.02 -0.06 -0.60 118.70 125.60 3dqk s GLU 95 Ca 0.04 -0.81 0.04 0.00 0.02 0.00 0.00 54.97 54.26 3dqk s GLU 95 Cb -0.15 -2.22 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 3dqk s GLU 95 CO -0.05 0.58 -0.10 1.03 0.02 0.00 0.00 175.26 176.74 3dqk s ARG 96 N -0.64 0.89 -0.09 1.61 0.52 -0.34 -1.50 118.95 119.40 3dqk s ARG 96 Ca 0.10 -1.24 0.04 0.00 -0.52 0.00 0.00 55.73 54.11 3dqk s ARG 96 Cb -0.11 -0.52 -0.00 0.00 0.52 0.00 0.00 34.95 34.85 3dqk s ARG 96 CO 0.00 0.07 -0.23 0.99 0.02 0.00 0.00 175.30 176.15 3dqk s THR 97 N -2.75 1.94 -0.23 0.02 2.01 -0.41 -1.19 115.64 115.03 3dqk s THR 97 Ca 0.08 -0.96 0.02 0.00 0.31 0.00 0.00 61.69 61.14 3dqk s THR 97 Cb -0.01 -1.68 0.05 0.00 0.01 0.00 0.00 72.50 70.87 3dqk s THR 97 CO -0.00 0.54 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.69 3dqk s ILE 98 N 0.27 2.14 -0.37 1.82 1.01 0.19 -0.49 121.20 125.77 3dqk s ILE 98 Ca -0.15 -1.38 -0.17 0.00 0.00 0.00 0.00 60.65 58.95 3dqk s ILE 98 Cb -0.17 -2.14 0.00 0.00 0.01 0.00 0.00 42.46 40.17 3dqk s ILE 98 CO 0.07 0.18 0.43 -0.36 0.00 0.00 0.00 174.94 175.26 3dqk s PHE 99 N 1.17 3.18 -0.36 3.97 0.08 -0.11 -1.02 117.98 124.90 3dqk s PHE 99 Ca -0.04 -0.09 -0.24 0.00 0.12 0.00 0.00 56.93 56.68 3dqk s PHE 99 Cb -0.17 -2.82 0.01 0.00 -0.57 0.00 0.00 43.02 39.46 3dqk s PHE 99 CO -0.08 -0.56 0.84 -0.06 -0.10 0.00 0.00 175.22 175.26 3dqk s PHE 100 N 2.17 3.12 0.08 0.36 0.40 -0.46 -1.09 117.98 122.56 3dqk s PHE 100 Ca 0.14 0.68 -0.37 0.00 -0.60 0.00 0.00 56.93 56.78 3dqk s PHE 100 Cb -0.16 -3.46 -0.17 0.00 0.51 0.00 0.00 43.02 39.74 3dqk s PHE 100 CO 0.13 -0.74 1.37 1.17 0.70 0.00 0.00 175.22 177.85 3dqk n LYS 101 N 6.51 1.21 -2.11 0.44 3.00 -0.20 -1.19 118.16 125.83 3dqk n LYS 101 Ca 0.05 0.44 -0.21 0.00 -0.00 0.00 0.00 58.31 58.58 3dqk n LYS 101 Cb 0.48 -2.09 -0.04 0.00 0.00 0.00 0.00 35.03 33.38 3dqk n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqk n ASP 102 N 2.66 -5.79 -0.11 3.14 8.00 -1.26 -4.82 116.55 118.37 3dqk n ASP 102 Ca 0.19 0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.86 3dqk n ASP 102 Cb 0.19 -4.92 0.00 0.00 -0.02 0.00 0.00 41.12 36.37 3dqk n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqk n ASP 103 N -1.79 0.00 -3.09 -2.24 -0.08 -0.33 -4.95 116.55 104.07 3dqk n ASP 103 Ca -0.23 -0.11 -0.17 0.00 -1.51 0.00 0.00 54.79 52.77 3dqk n ASP 103 Cb 0.69 0.00 0.13 0.00 2.34 0.00 0.00 41.12 44.28 3dqk n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqk n GLY 104 N 0.00 -1.85 3.15 0.27 0.00 -1.13 -4.57 105.19 101.06 3dqk n GLY 104 Ca 0.00 -1.61 -0.17 0.00 0.00 0.00 0.00 46.02 44.24 3dqk n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqk s ASN 105 N -3.54 1.52 -0.12 1.61 2.20 -0.79 -1.35 114.94 114.48 3dqk s ASN 105 Ca 0.42 -0.60 -0.07 0.00 -0.94 0.00 0.00 52.86 51.67 3dqk s ASN 105 Cb -0.02 -0.03 -0.04 0.00 -2.00 0.00 0.00 41.25 39.15 3dqk s ASN 105 CO 0.30 -0.10 0.15 -0.31 -2.94 0.00 0.00 177.10 174.21 3dqk s TYR 106 N -1.28 3.60 -0.12 1.54 2.02 -0.19 -1.48 117.35 121.43 3dqk s TYR 106 Ca -0.03 0.54 0.02 0.00 -0.37 0.00 0.00 57.07 57.23 3dqk s TYR 106 Cb -0.10 -1.96 0.01 0.00 -0.40 0.00 0.00 41.96 39.51 3dqk s TYR 106 CO 0.02 0.72 -0.19 0.15 -1.57 0.00 0.00 175.55 174.68 3dqk s LYS 107 N -0.99 2.61 0.04 -0.62 1.02 0.12 -0.64 119.74 121.29 3dqk s LYS 107 Ca 0.15 -0.71 0.07 0.00 0.02 0.00 0.00 55.97 55.51 3dqk s LYS 107 Cb -0.12 -2.13 -0.03 0.00 -0.52 0.00 0.00 37.83 35.03 3dqk s LYS 107 CO 0.04 -0.01 -0.21 0.95 -0.92 0.00 0.00 175.35 175.20 3dqk s THR 108 N 0.82 1.68 -0.09 2.17 -4.23 -0.33 -0.75 115.64 114.90 3dqk s THR 108 Ca -0.09 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.21 3dqk s THR 108 Cb -0.16 -1.46 0.02 0.00 1.34 0.00 0.00 72.50 72.25 3dqk s THR 108 CO -0.00 0.21 -0.05 -0.60 -0.54 0.00 0.00 174.62 173.64 3dqk s ARG 109 N -1.18 1.17 0.14 3.99 3.52 -0.56 -1.20 118.95 124.83 3dqk s ARG 109 Ca 0.08 -0.13 0.09 0.00 -0.13 0.00 0.00 55.73 55.63 3dqk s ARG 109 Cb -0.09 -1.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.95 3dqk s ARG 109 CO 0.02 -0.25 -0.20 0.00 -0.81 0.00 0.00 175.30 174.06 3dqk s ALA 110 N 1.68 1.98 -0.13 6.12 0.00 0.24 -1.19 121.76 130.45 3dqk s ALA 110 Ca 0.03 -1.41 0.03 0.00 0.00 0.00 0.00 51.96 50.60 3dqk s ALA 110 Cb -0.13 -0.22 0.01 0.00 0.00 0.00 0.00 23.12 22.78 3dqk s ALA 110 CO -0.06 0.30 -0.21 -1.21 0.00 0.00 0.00 175.76 174.58 3dqk s GLU 111 N -2.45 2.90 -0.19 0.00 2.02 -0.51 -0.95 118.70 119.54 3dqk s GLU 111 Ca 0.13 -0.81 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3dqk s GLU 111 Cb -0.08 -2.34 0.01 0.00 0.10 0.00 0.00 34.13 31.83 3dqk s GLU 111 CO 0.06 -0.00 -0.17 0.08 0.02 0.00 0.00 175.26 175.24 3dqk s VAL 112 N 0.79 2.28 0.12 2.63 1.01 -0.00 -1.57 120.40 125.65 3dqk s VAL 112 Ca -0.08 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.78 3dqk s VAL 112 Cb -0.16 -1.97 0.07 0.00 0.00 0.00 0.00 36.38 34.33 3dqk s VAL 112 CO -0.01 0.52 0.78 -1.59 0.00 0.00 0.00 175.10 174.80 3dqk s LYS 113 N 1.30 1.17 0.24 2.72 -2.85 -0.76 -0.57 119.74 120.98 3dqk s LYS 113 Ca 0.05 -0.51 -0.26 0.00 -1.00 0.00 0.00 55.97 54.24 3dqk s LYS 113 Cb -0.13 0.48 -0.09 0.00 -2.06 0.00 0.00 37.83 36.03 3dqk s LYS 113 CO -0.11 -0.52 0.87 -0.06 0.10 0.00 0.00 175.35 175.63 3dqk s PHE 114 N -3.47 3.83 -0.48 1.78 0.08 -0.95 -0.63 117.98 118.14 3dqk s PHE 114 Ca 0.06 1.73 0.03 0.00 0.12 0.00 0.00 56.93 58.87 3dqk s PHE 114 Cb -0.02 -2.86 0.13 0.00 -0.57 0.00 0.00 43.02 39.70 3dqk s PHE 114 CO -0.06 0.38 0.23 -1.21 -0.10 0.00 0.00 175.22 174.46 3dqk s GLU 115 N -1.55 1.93 7.84 0.44 0.41 0.77 -4.92 118.70 123.63 3dqk s GLU 115 Ca 0.43 -2.40 0.00 0.00 -0.41 0.00 0.00 54.97 52.59 3dqk s GLU 115 Cb -0.22 -3.36 0.00 0.00 -1.78 0.00 0.00 34.13 28.78 3dqk s GLU 115 CO 0.26 -1.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.37 3dqk n GLY 116 N 3.50 3.39 0.03 -1.39 0.00 -1.26 -2.16 105.19 107.30 3dqk n GLY 116 Ca 0.05 -0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.08 3dqk n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqk n ASP 117 N 5.47 0.15 -4.75 1.61 8.00 -1.26 -4.83 116.55 120.94 3dqk n ASP 117 Ca 0.00 -0.21 -0.36 0.00 0.71 0.00 0.00 54.79 54.94 3dqk n ASP 117 Cb 0.00 -0.23 -0.07 0.00 -0.02 0.00 0.00 41.12 40.80 3dqk n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqk s THR 118 N -2.60 5.39 -0.23 -3.53 2.01 -0.92 -4.40 115.64 111.36 3dqk s THR 118 Ca 0.27 0.30 -0.22 0.00 0.31 0.00 0.00 61.69 62.34 3dqk s THR 118 Cb 0.20 -3.51 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 3dqk s THR 118 CO 0.48 0.46 0.72 -0.22 -0.69 0.00 0.00 174.62 175.36 3dqk s LEU 119 N 0.16 4.09 -0.08 4.42 1.98 -0.45 -0.16 118.68 128.63 3dqk s LEU 119 Ca 0.11 0.88 0.02 0.00 -2.89 0.00 0.00 54.13 52.26 3dqk s LEU 119 Cb -0.12 -3.01 -0.02 0.00 0.66 0.00 0.00 46.19 43.70 3dqk s LEU 119 CO 0.01 -0.41 -0.13 -0.69 -1.89 0.00 0.00 176.35 173.23 3dqk s VAL 120 N 2.51 3.11 -0.37 1.68 1.01 0.20 -1.54 120.40 127.00 3dqk s VAL 120 Ca 0.31 -0.68 0.03 0.00 0.00 0.00 0.00 61.98 61.63 3dqk s VAL 120 Cb -0.16 -2.26 0.11 0.00 0.00 0.00 0.00 36.38 34.08 3dqk s VAL 120 CO 0.09 0.56 0.10 0.21 0.00 0.00 0.00 175.10 176.06 3dqk s ASN 121 N -0.30 4.47 -0.31 3.32 2.47 -0.31 -1.84 114.94 122.44 3dqk s ASN 121 Ca 0.03 -2.21 -0.16 0.00 0.42 0.00 0.00 52.86 50.94 3dqk s ASN 121 Cb -0.13 -1.43 -0.02 0.00 -1.45 0.00 0.00 41.25 38.22 3dqk s ASN 121 CO 0.03 -0.36 0.40 -0.13 -3.72 0.00 0.00 177.10 173.32 3dqk s ARG 122 N 0.84 3.78 0.05 0.43 0.52 -0.61 -0.97 118.95 122.98 3dqk s ARG 122 Ca 0.12 -0.15 0.08 0.00 -0.52 0.00 0.00 55.73 55.26 3dqk s ARG 122 Cb -0.20 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.50 3dqk s ARG 122 CO -0.10 -0.44 -0.21 0.42 0.02 0.00 0.00 175.30 174.99 3dqk s ILE 123 N 2.13 1.71 -0.07 1.52 1.01 0.21 -1.42 121.20 126.28 3dqk s ILE 123 Ca 0.15 -1.25 0.05 0.00 0.00 0.00 0.00 60.65 59.59 3dqk s ILE 123 Cb -0.16 -1.49 -0.00 0.00 0.01 0.00 0.00 42.46 40.82 3dqk s ILE 123 CO 0.11 0.19 -0.23 -1.61 0.00 0.00 0.00 174.94 173.40 3dqk s GLU 124 N -1.27 2.63 -0.04 2.79 2.02 -0.33 -1.59 118.70 122.91 3dqk s GLU 124 Ca 0.08 -0.83 0.04 0.00 0.02 0.00 0.00 54.97 54.27 3dqk s GLU 124 Cb -0.09 -2.11 -0.00 0.00 0.10 0.00 0.00 34.13 32.03 3dqk s GLU 124 CO 0.02 0.26 -0.14 -1.17 0.02 0.00 0.00 175.26 174.25 3dqk s LEU 125 N 0.12 1.87 -0.08 1.80 0.20 -0.16 -1.50 118.68 120.92 3dqk s LEU 125 Ca -0.11 -0.30 0.03 0.00 0.69 0.00 0.00 54.13 54.44 3dqk s LEU 125 Cb -0.15 -0.83 0.01 0.00 -0.43 0.00 0.00 46.19 44.79 3dqk s LEU 125 CO 0.06 0.12 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.54 3dqk s LYS 126 N 0.09 2.13 -0.06 1.98 3.01 0.07 -2.24 119.74 124.72 3dqk s LYS 126 Ca -0.04 -0.55 0.04 0.00 -1.01 0.00 0.00 55.97 54.41 3dqk s LYS 126 Cb -0.10 -1.72 -0.02 0.00 -1.01 0.00 0.00 37.83 34.97 3dqk s LYS 126 CO 0.02 0.04 -0.16 0.20 0.51 0.00 0.00 175.35 175.96 3dqk s GLY 127 N 0.66 1.50 0.16 -3.33 0.00 0.78 0.14 107.32 107.24 3dqk s GLY 127 Ca -0.14 -0.98 0.02 0.00 0.00 0.00 0.00 44.72 43.62 3dqk s GLY 127 CO 0.04 -0.69 -0.01 -0.26 0.00 0.00 0.00 173.10 172.18 3dqk s ILE 128 N -0.54 0.70 -1.91 0.90 -4.36 -0.55 -1.26 121.20 114.17 3dqk s ILE 128 Ca 0.07 -1.98 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3dqk s ILE 128 Cb -0.11 -2.06 0.00 0.00 1.25 0.00 0.00 42.46 41.54 3dqk s ILE 128 CO 0.01 -0.53 0.00 0.47 0.24 0.00 0.00 174.94 175.13 3dqk n ASP 129 N -0.22 -5.83 -4.86 4.36 8.00 -1.26 -1.88 116.55 114.86 3dqk n ASP 129 Ca -0.07 0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.25 3dqk n ASP 129 Cb 0.63 -4.93 -0.01 0.00 -0.02 0.00 0.00 41.12 36.79 3dqk n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqk s PHE 130 N -2.97 3.55 -0.21 1.24 0.08 -1.26 -2.84 117.98 115.56 3dqk s PHE 130 Ca 0.00 1.28 -0.14 0.00 0.12 0.00 0.00 56.93 58.19 3dqk s PHE 130 Cb 0.00 -2.68 -0.04 0.00 -0.57 0.00 0.00 43.02 39.73 3dqk s PHE 130 CO 0.00 -0.48 0.31 0.15 -0.10 0.00 0.00 175.22 175.10 3dqk s LYS 131 N -4.61 4.14 0.03 0.44 1.02 -1.26 -4.86 119.74 114.64 3dqk s LYS 131 Ca 0.55 0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.52 3dqk s LYS 131 Cb -0.10 -3.53 0.00 0.00 -0.52 0.00 0.00 37.83 33.68 3dqk s LYS 131 CO 0.43 0.01 0.30 0.39 -0.92 0.00 0.00 175.35 175.56 3dqk n GLU 132 N 4.35 -0.08 -0.67 1.68 -0.58 -1.26 -1.38 120.64 122.70 3dqk n GLU 132 Ca -0.11 0.30 0.06 0.00 -0.42 0.00 0.00 57.16 56.98 3dqk n GLU 132 Cb 0.51 -0.44 0.30 0.00 -0.57 0.00 0.00 31.44 31.25 3dqk n GLU 132 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dqk n ASP 133 N -4.25 4.45 -2.57 1.62 5.68 -1.26 -3.49 116.55 116.73 3dqk n ASP 133 Ca 0.01 -3.07 -0.06 0.00 -0.50 0.00 0.00 54.79 51.16 3dqk n ASP 133 Cb 0.06 -0.62 0.03 0.00 -1.14 0.00 0.00 41.12 39.45 3dqk n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqk n GLY 134 N -0.19 0.18 0.26 6.12 0.00 -0.48 -4.68 105.19 106.41 3dqk n GLY 134 Ca 0.27 -1.89 0.10 0.00 0.00 0.00 0.00 46.02 44.49 3dqk n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqk h ASN 135 N -0.22 0.00 0.00 1.61 2.35 -1.91 0.49 115.58 117.90 3dqk h ASN 135 Ca -0.09 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3dqk h ASN 135 Cb 0.29 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.66 3dqk h ASN 135 CO 0.08 0.05 -0.13 -0.38 -1.65 0.00 0.00 177.43 175.40 3dqk n ILE 136 N -4.22 0.27 0.27 2.81 -0.00 -1.26 -0.65 119.36 116.58 3dqk n ILE 136 Ca -0.03 0.44 0.12 0.00 -0.00 0.00 0.00 62.75 63.28 3dqk n ILE 136 Cb 0.14 -1.66 0.75 0.00 -0.00 0.00 0.00 39.64 38.87 3dqk n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqk h LEU 137 N -0.19 0.00 -1.80 1.39 3.38 -1.72 -1.27 115.31 115.10 3dqk h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqk h LEU 137 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3dqk h LEU 137 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3dqk n GLY 138 N -1.17 1.29 3.89 0.83 0.00 0.17 -4.87 105.19 105.34 3dqk n GLY 138 Ca -0.03 -0.52 -0.34 0.00 0.00 0.00 0.00 46.02 45.14 3dqk n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqk n HIS 139 N 0.88 -1.67 -0.60 1.61 8.25 -0.48 -4.88 115.22 118.34 3dqk n HIS 139 Ca 0.16 0.45 0.08 0.00 -0.26 0.00 0.00 57.72 58.15 3dqk n HIS 139 Cb 0.42 -3.32 0.28 0.00 1.12 0.00 0.00 29.99 28.49 3dqk n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqk n LYS 140 N -4.48 3.32 -3.68 -0.41 5.02 0.17 -4.97 118.16 113.13 3dqk n LYS 140 Ca -0.17 -2.66 -0.37 0.00 -2.02 0.00 0.00 58.31 53.09 3dqk n LYS 140 Cb 0.62 -1.72 -0.07 0.00 -0.02 0.00 0.00 35.03 33.85 3dqk n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqk s LEU 141 N -1.87 4.35 0.57 -0.35 1.43 -1.24 -1.21 118.68 120.36 3dqk s LEU 141 Ca 0.41 0.56 -0.19 0.00 -1.03 0.00 0.00 54.13 53.88 3dqk s LEU 141 Cb 0.28 -2.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.18 3dqk s LEU 141 CO 0.18 0.28 1.20 -1.61 0.23 0.00 0.00 176.35 176.63 3dqk s GLU 142 N -0.45 3.09 -1.36 1.70 2.02 -0.09 -4.88 118.70 118.73 3dqk s GLU 142 Ca 0.16 1.81 -0.12 0.00 0.02 0.00 0.00 54.97 56.84 3dqk s GLU 142 Cb -0.13 -1.98 0.11 0.00 0.10 0.00 0.00 34.13 32.22 3dqk s GLU 142 CO 0.05 -1.11 2.01 0.98 0.02 0.00 0.00 175.26 177.21 3dqk n TYR 143 N -1.45 3.39 -3.73 1.61 9.36 -1.26 -4.81 117.16 120.27 3dqk n TYR 143 Ca 0.13 -2.90 -0.08 0.00 3.32 0.00 0.00 57.90 58.36 3dqk n TYR 143 Cb 0.49 -2.27 0.01 0.00 -0.63 0.00 0.00 39.34 36.94 3dqk n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqk n ASN 144 N 5.18 -1.53 -3.64 2.98 0.23 -1.26 -4.89 115.26 112.33 3dqk n ASN 144 Ca 0.46 -2.32 -0.09 0.00 -0.53 0.00 0.00 54.58 52.09 3dqk n ASN 144 Cb 0.38 2.63 -0.07 0.00 -2.08 0.00 0.00 39.78 40.64 3dqk n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqk s TYR 145 N -3.61 -0.94 0.34 -2.53 5.04 -1.26 -4.88 117.35 109.51 3dqk s TYR 145 Ca 0.16 1.99 -0.09 0.00 -2.44 0.00 0.00 57.07 56.69 3dqk s TYR 145 Cb -0.03 0.50 -0.06 0.00 0.35 0.00 0.00 41.96 42.72 3dqk s TYR 145 CO 0.12 -0.46 0.66 -0.80 -1.34 0.00 0.00 175.55 173.73 3dqk s ASN 146 N 1.18 6.52 0.44 4.32 0.01 -1.26 -4.76 114.94 121.39 3dqk s ASN 146 Ca -0.06 0.96 -0.22 0.00 -0.71 0.00 0.00 52.86 52.83 3dqk s ASN 146 Cb -0.05 -2.25 -0.09 0.00 0.41 0.00 0.00 41.25 39.27 3dqk s ASN 146 CO -0.13 -0.28 1.04 -0.44 -1.51 0.00 0.00 177.10 175.79 3dqk s SER 147 N -3.02 6.56 -0.20 -1.22 0.01 -1.26 -4.66 113.70 109.91 3dqk s SER 147 Ca 0.48 1.97 -0.11 0.00 1.31 0.00 0.00 55.95 59.61 3dqk s SER 147 Cb -0.11 -2.57 0.07 0.00 0.21 0.00 0.00 66.02 63.62 3dqk s SER 147 CO 0.29 -0.63 0.48 -1.00 0.41 0.00 0.00 173.24 172.79 3dqk s HIS 148 N -1.83 -0.74 0.27 2.43 3.76 -0.77 -5.02 115.29 113.39 3dqk s HIS 148 Ca 0.62 1.53 -0.27 0.00 -0.15 0.00 0.00 55.06 56.79 3dqk s HIS 148 Cb -0.19 0.37 -0.09 0.00 1.11 0.00 0.00 32.58 33.78 3dqk s HIS 148 CO 0.23 -0.40 0.92 -0.80 -0.85 0.00 0.00 174.74 173.83 3dqk s ASN 149 N 1.58 7.44 -0.18 1.40 0.02 -1.26 -0.72 114.94 123.22 3dqk s ASN 149 Ca -0.09 1.84 0.01 0.00 -1.02 0.00 0.00 52.86 53.60 3dqk s ASN 149 Cb -0.08 -2.57 0.03 0.00 0.02 0.00 0.00 41.25 38.64 3dqk s ASN 149 CO -0.15 0.04 -0.16 -0.69 0.02 0.00 0.00 177.10 176.16 3dqk s VAL 150 N -1.41 1.87 -0.27 1.60 1.01 -0.25 -4.82 120.40 118.12 3dqk s VAL 150 Ca 0.45 -0.90 -0.17 0.00 0.00 0.00 0.00 61.98 61.36 3dqk s VAL 150 Cb -0.22 -1.75 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3dqk s VAL 150 CO 0.27 0.43 0.48 -0.31 0.00 0.00 0.00 175.10 175.97 3dqk s TYR 151 N 1.35 3.26 -0.20 5.22 2.02 -1.24 -0.59 117.35 127.18 3dqk s TYR 151 Ca 0.03 0.56 -0.10 0.00 -0.37 0.00 0.00 57.07 57.19 3dqk s TYR 151 Cb -0.14 -2.70 -0.05 0.00 -0.40 0.00 0.00 41.96 38.68 3dqk s TYR 151 CO -0.11 -0.28 0.14 0.42 -1.57 0.00 0.00 175.55 174.14 3dqk s ILE 152 N 2.26 5.41 0.15 2.71 1.01 0.69 -3.38 121.20 130.04 3dqk s ILE 152 Ca 0.20 0.21 0.08 0.00 0.00 0.00 0.00 60.65 61.13 3dqk s ILE 152 Cb -0.16 -3.48 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 3dqk s ILE 152 CO 0.10 0.44 -0.18 0.00 0.00 0.00 0.00 174.94 175.30 3dqk s MET 153 N 0.32 1.19 0.52 2.79 0.23 -0.08 -2.39 119.30 121.88 3dqk s MET 153 Ca 0.09 -1.33 -0.22 0.00 -1.03 0.00 0.00 55.69 53.20 3dqk s MET 153 Cb -0.11 -1.25 -0.06 0.00 -1.53 0.00 0.00 34.83 31.88 3dqk s MET 153 CO -0.01 0.26 1.29 0.00 -2.03 0.00 0.00 175.02 174.52 3dqk s ALA 154 N -1.92 2.85 -0.59 3.16 0.00 -1.25 -0.45 121.76 123.56 3dqk s ALA 154 Ca 0.13 1.18 0.06 0.00 0.00 0.00 0.00 51.96 53.33 3dqk s ALA 154 Cb -0.06 -3.50 0.23 0.00 0.00 0.00 0.00 23.12 19.78 3dqk s ALA 154 CO 0.05 -1.13 0.63 -3.47 0.00 0.00 0.00 175.76 171.84 3dqk n ASP 155 N -0.90 2.66 0.01 0.00 -0.08 -0.08 -4.60 116.55 113.56 3dqk n ASP 155 Ca 0.10 -3.19 -0.01 0.00 -1.51 0.00 0.00 54.79 50.18 3dqk n ASP 155 Cb 0.46 -0.67 0.26 0.00 2.34 0.00 0.00 41.12 43.51 3dqk n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqk h LYS 156 N 4.48 0.49 -0.54 -0.67 1.57 -1.94 -0.92 116.57 119.04 3dqk h LYS 156 Ca 0.17 -0.14 0.12 0.00 -1.87 0.00 0.00 60.65 58.93 3dqk h LYS 156 Cb 0.74 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.97 3dqk h LYS 156 CO 0.71 0.61 0.37 1.96 -0.57 0.00 0.00 179.45 182.53 3dqk h GLN 157 N 0.45 0.20 -0.48 3.15 4.20 -1.94 -2.56 115.11 118.12 3dqk h GLN 157 Ca 0.08 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3dqk h GLN 157 Cb 0.48 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.22 3dqk h GLN 157 CO 0.03 0.13 0.00 1.63 -0.67 0.00 0.00 178.83 179.95 3dqk n LYS 158 N -4.44 3.11 -3.61 1.46 5.02 -0.41 -4.97 118.16 114.32 3dqk n LYS 158 Ca 0.09 -2.52 -0.27 0.00 -2.02 0.00 0.00 58.31 53.59 3dqk n LYS 158 Cb 0.46 -1.59 0.01 0.00 -0.02 0.00 0.00 35.03 33.89 3dqk n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqk n ASN 159 N 0.70 -4.29 0.00 4.39 5.15 -0.81 -4.83 115.26 115.56 3dqk n ASN 159 Ca 0.19 -0.58 0.00 0.00 -0.60 0.00 0.00 54.58 53.59 3dqk n ASN 159 Cb 0.67 -3.49 0.00 0.00 -0.53 0.00 0.00 39.78 36.43 3dqk n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqk n GLY 160 N -1.40 4.40 3.36 8.20 0.00 -0.82 -4.38 105.19 114.55 3dqk n GLY 160 Ca 0.01 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.89 3dqk n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqk s ILE 161 N -0.67 1.64 0.08 -0.61 -4.36 -0.81 -0.91 121.20 115.56 3dqk s ILE 161 Ca 0.00 -2.17 0.06 0.00 -0.26 0.00 0.00 60.65 58.28 3dqk s ILE 161 Cb 0.00 -2.14 -0.03 0.00 1.25 0.00 0.00 42.46 41.53 3dqk s ILE 161 CO 0.00 -0.52 -0.17 -0.54 0.24 0.00 0.00 174.94 173.95 3dqk s LYS 162 N -3.68 0.95 -0.06 0.37 1.02 0.41 -1.66 119.74 117.09 3dqk s LYS 162 Ca 0.24 -1.05 -0.04 0.00 0.02 0.00 0.00 55.97 55.15 3dqk s LYS 162 Cb 0.01 -1.08 0.03 0.00 -0.52 0.00 0.00 37.83 36.27 3dqk s LYS 162 CO 0.08 0.24 0.15 0.08 -0.92 0.00 0.00 175.35 174.98 3dqk s VAL 163 N -1.22 -0.03 -0.02 3.17 1.01 -0.33 -0.91 120.40 122.08 3dqk s VAL 163 Ca 0.02 0.10 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3dqk s VAL 163 Cb -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.05 3dqk s VAL 163 CO 0.03 0.04 -0.06 0.21 0.00 0.00 0.00 175.10 175.32 3dqk s ASN 164 N 0.68 0.80 -0.14 3.32 3.84 -1.22 -0.36 114.94 121.88 3dqk s ASN 164 Ca -0.05 -0.12 -0.33 0.00 0.21 0.00 0.00 52.86 52.57 3dqk s ASN 164 Cb -0.07 -0.18 0.13 0.00 -0.55 0.00 0.00 41.25 40.58 3dqk s ASN 164 CO -0.03 0.04 1.14 0.72 -2.79 0.00 0.00 177.10 176.18 3dqk s PHE 165 N 0.14 -0.17 -0.09 0.43 -0.71 -0.76 -3.59 117.98 113.23 3dqk s PHE 165 Ca -0.01 0.10 0.03 0.00 -1.04 0.00 0.00 56.93 56.00 3dqk s PHE 165 Cb -0.06 0.52 -0.01 0.00 -1.21 0.00 0.00 43.02 42.26 3dqk s PHE 165 CO -0.00 -0.29 -0.18 0.15 -1.34 0.00 0.00 175.22 173.56 3dqk s LYS 166 N -2.59 2.93 -0.12 1.99 1.02 -1.26 0.06 119.74 121.77 3dqk s LYS 166 Ca 0.09 -0.77 -0.02 0.00 0.02 0.00 0.00 55.97 55.28 3dqk s LYS 166 Cb -0.01 -2.41 -0.03 0.00 -0.52 0.00 0.00 37.83 34.87 3dqk s LYS 166 CO -0.05 0.34 -0.04 0.42 -0.92 0.00 0.00 175.35 175.09 3dqk s ILE 167 N -0.02 3.86 -0.31 2.17 -1.09 0.37 -4.98 121.20 121.21 3dqk s ILE 167 Ca -0.05 -0.39 -0.09 0.00 -2.23 0.00 0.00 60.65 57.89 3dqk s ILE 167 Cb -0.15 -2.65 -0.00 0.00 -1.58 0.00 0.00 42.46 38.09 3dqk s ILE 167 CO 0.05 0.54 0.13 -0.13 -1.23 0.00 0.00 174.94 174.29 3dqk s ARG 168 N -0.14 3.24 -0.15 2.79 0.52 -1.26 -0.06 118.95 123.89 3dqk s ARG 168 Ca 0.03 -0.78 -0.18 0.00 -0.52 0.00 0.00 55.73 54.28 3dqk s ARG 168 Cb -0.13 -3.49 -0.04 0.00 0.52 0.00 0.00 34.95 31.81 3dqk s ARG 168 CO 0.03 -0.43 0.49 -1.01 0.02 0.00 0.00 175.30 174.40 3dqk s HIS 169 N 1.57 3.46 0.12 -0.53 3.76 -0.26 -4.63 115.29 118.78 3dqk s HIS 169 Ca 0.04 0.85 -0.31 0.00 -0.15 0.00 0.00 55.06 55.49 3dqk s HIS 169 Cb -0.17 -2.60 -0.09 0.00 1.11 0.00 0.00 32.58 30.83 3dqk s HIS 169 CO 0.05 0.07 1.54 -0.80 -0.85 0.00 0.00 174.74 174.75 3dqk s ASN 170 N 0.81 6.66 0.29 1.40 0.01 -1.26 -0.64 114.94 122.21 3dqk s ASN 170 Ca 0.25 2.49 -0.07 0.00 -0.71 0.00 0.00 52.86 54.82 3dqk s ASN 170 Cb -0.15 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 3dqk s ASN 170 CO 0.10 -0.80 0.59 -0.63 -1.51 0.00 0.00 177.10 174.85 3dqk s ILE 171 N 1.59 4.96 0.46 0.60 1.01 -0.35 -0.91 121.20 128.57 3dqk s ILE 171 Ca 0.70 0.27 0.15 0.00 0.00 0.00 0.00 60.65 61.77 3dqk s ILE 171 Cb -0.41 -3.70 0.32 0.00 0.01 0.00 0.00 42.46 38.68 3dqk s ILE 171 CO 0.31 -0.28 2.03 1.05 0.00 0.00 0.00 174.94 178.04 3dqk h GLU 172 N 1.85 0.27 0.00 2.79 4.11 -1.47 -0.91 114.58 121.22 3dqk h GLU 172 Ca -0.47 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 58.94 3dqk h GLU 172 Cb 1.18 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.37 3dqk h GLU 172 CO 0.67 0.18 0.00 -0.40 0.07 0.00 0.00 179.01 179.52 3dqk n ASP 173 N -4.47 0.00 0.00 3.06 5.68 -1.26 -4.86 116.55 114.70 3dqk n ASP 173 Ca 0.06 -1.09 0.00 0.00 -0.50 0.00 0.00 54.79 53.26 3dqk n ASP 173 Cb 0.31 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.29 3dqk n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqk n GLY 174 N 0.67 1.50 0.00 6.12 0.00 -0.35 -5.08 105.19 108.05 3dqk n GLY 174 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3dqk n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqk n SER 175 N 0.00 0.00 -4.09 1.61 2.88 -1.26 -4.82 113.62 107.94 3dqk n SER 175 Ca 0.00 -0.98 -0.18 0.00 -1.33 0.00 0.00 58.87 56.38 3dqk n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3dqk n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqk s VAL 176 N -0.83 0.86 -0.37 2.46 -7.23 -1.26 -1.21 120.40 112.83 3dqk s VAL 176 Ca 0.00 -0.87 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 3dqk s VAL 176 Cb 0.00 -0.80 0.03 0.00 0.56 0.00 0.00 36.38 36.17 3dqk s VAL 176 CO 0.00 -0.05 0.19 -1.58 -0.31 0.00 0.00 175.10 173.35 3dqk s GLN 177 N -1.04 2.84 0.20 4.82 2.00 0.19 -4.90 119.66 123.77 3dqk s GLN 177 Ca -0.01 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 51.99 3dqk s GLN 177 Cb -0.07 -3.69 -0.08 0.00 0.80 0.00 0.00 33.01 29.97 3dqk s GLN 177 CO 0.01 -0.68 1.16 -0.51 -0.50 0.00 0.00 175.29 174.77 3dqk s LEU 178 N 1.54 4.48 -0.27 3.68 1.43 -1.26 -1.11 118.68 127.16 3dqk s LEU 178 Ca 0.02 2.22 -0.01 0.00 -1.03 0.00 0.00 54.13 55.33 3dqk s LEU 178 Cb -0.19 -3.61 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3dqk s LEU 178 CO 0.06 -0.30 0.05 0.00 0.23 0.00 0.00 176.35 176.39 3dqk s ALA 179 N -0.32 1.61 -0.31 4.21 0.00 0.91 -1.03 121.76 126.82 3dqk s ALA 179 Ca 0.50 -1.48 -0.21 0.00 0.00 0.00 0.00 51.96 50.78 3dqk s ALA 179 Cb -0.32 -1.52 -0.00 0.00 0.00 0.00 0.00 23.12 21.27 3dqk s ALA 179 CO 0.38 -1.48 0.67 -0.51 0.00 0.00 0.00 175.76 174.82 3dqk s ASP 180 N 1.57 6.52 -0.16 0.00 1.11 -0.25 -0.48 116.67 124.98 3dqk s ASP 180 Ca 0.05 0.44 -0.07 0.00 0.18 0.00 0.00 52.55 53.14 3dqk s ASP 180 Cb -0.18 -2.35 -0.04 0.00 1.07 0.00 0.00 42.92 41.42 3dqk s ASP 180 CO -0.17 -0.53 0.09 -1.00 1.18 0.00 0.00 175.17 174.74 3dqk s HIS 181 N 2.71 3.36 -0.09 4.23 3.76 0.11 -0.93 115.29 128.43 3dqk s HIS 181 Ca 0.27 0.25 0.04 0.00 -0.15 0.00 0.00 55.06 55.46 3dqk s HIS 181 Cb -0.15 -2.04 -0.01 0.00 1.11 0.00 0.00 32.58 31.49 3dqk s HIS 181 CO 0.12 0.34 -0.21 0.71 -0.85 0.00 0.00 174.74 174.86 3dqk s TYR 182 N -0.05 2.60 0.01 1.40 1.51 0.36 -1.82 117.35 121.36 3dqk s TYR 182 Ca 0.08 -0.73 0.01 0.00 -1.01 0.00 0.00 57.07 55.41 3dqk s TYR 182 Cb -0.12 -1.70 -0.01 0.00 -0.11 0.00 0.00 41.96 40.02 3dqk s TYR 182 CO 0.01 -0.23 -0.03 -1.14 -1.11 0.00 0.00 175.55 173.05 3dqk s GLN 183 N 0.04 0.27 -0.00 -0.62 0.74 0.51 -1.28 119.66 119.32 3dqk s GLN 183 Ca -0.08 -0.38 0.00 0.00 0.05 0.00 0.00 55.36 54.95 3dqk s GLN 183 Cb -0.15 -0.07 0.00 0.00 1.10 0.00 0.00 33.01 33.89 3dqk s GLN 183 CO 0.05 0.01 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.66 3dqk s GLN 184 N -0.82 0.05 0.02 1.67 0.74 -0.56 -1.18 119.66 119.57 3dqk s GLN 184 Ca -0.07 0.00 0.06 0.00 0.05 0.00 0.00 55.36 55.40 3dqk s GLN 184 Cb -0.06 -0.09 -0.02 0.00 1.10 0.00 0.00 33.01 33.94 3dqk s GLN 184 CO -0.00 -0.01 -0.18 -0.80 -0.55 0.00 0.00 175.29 173.74 3dqk s ASN 185 N 0.15 2.14 -0.07 6.67 -0.87 -0.66 -0.88 114.94 121.42 3dqk s ASN 185 Ca -0.01 -0.44 -0.05 0.00 -1.57 0.00 0.00 52.86 50.79 3dqk s ASN 185 Cb -0.02 -0.19 0.02 0.00 -0.02 0.00 0.00 41.25 41.04 3dqk s ASN 185 CO -0.00 0.15 0.17 0.42 -2.57 0.00 0.00 177.10 175.26 3dqk s THR 186 N -0.68 -0.01 0.60 1.60 -4.23 -0.67 -1.93 115.64 110.32 3dqk s THR 186 Ca 0.06 0.05 -0.19 0.00 -1.18 0.00 0.00 61.69 60.43 3dqk s THR 186 Cb -0.08 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.48 3dqk s THR 186 CO 0.01 0.02 1.25 -2.16 -0.54 0.00 0.00 174.62 173.20 3dqk s PRO 187 N 0.43 2.88 0.01 3.99 0.04 -1.26 -0.52 135.00 140.57 3dqk s PRO 187 Ca -0.03 1.95 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 3dqk s PRO 187 Cb -0.04 -1.95 -0.35 0.00 0.04 0.00 0.00 34.50 32.20 3dqk s PRO 187 CO -0.02 -1.31 0.97 0.82 0.04 0.00 0.00 177.00 177.49 3dqk h ILE 188 N 0.87 1.32 -4.24 0.56 2.04 -1.28 -3.44 117.51 113.33 3dqk h ILE 188 Ca -0.51 -2.66 -0.46 0.00 1.00 0.00 0.00 64.86 62.23 3dqk h ILE 188 Cb 1.31 3.08 0.13 0.00 -0.74 0.00 0.00 36.82 40.60 3dqk h ILE 188 CO 0.55 0.79 0.30 -0.83 0.00 0.00 0.00 178.15 178.96 3dqk s GLY 189 N -4.58 1.58 0.00 5.37 0.00 -1.26 -5.01 107.32 103.42 3dqk s GLY 189 Ca -0.10 -0.52 0.23 0.00 0.00 0.00 0.00 44.72 44.33 3dqk s GLY 189 CO 0.92 0.03 1.16 1.34 0.00 0.00 0.00 173.10 176.56 3dqk n ASP 190 N -3.76 1.65 -4.56 1.64 2.03 -1.26 -5.00 116.55 107.30 3dqk n ASP 190 Ca 0.07 -1.29 -0.29 0.00 0.52 0.00 0.00 54.79 53.80 3dqk n ASP 190 Cb 0.59 0.48 0.15 0.00 -0.72 0.00 0.00 41.12 41.62 3dqk n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqk s GLY 191 N -2.57 1.62 0.67 0.27 0.00 -1.26 -5.02 107.32 101.03 3dqk s GLY 191 Ca 0.18 -0.74 -0.15 0.00 0.00 0.00 0.00 44.72 44.01 3dqk s GLY 191 CO 0.61 -0.12 1.12 2.56 0.00 0.00 0.00 173.10 177.27 3dqk s PRO 192 N -5.49 2.70 0.08 2.90 0.05 -1.26 -5.05 135.00 128.92 3dqk s PRO 192 Ca 0.66 1.43 0.02 0.00 0.05 0.00 0.00 61.00 63.16 3dqk s PRO 192 Cb -0.11 -1.93 -0.04 0.00 0.05 0.00 0.00 34.50 32.47 3dqk s PRO 192 CO 0.53 -1.34 -0.07 0.14 0.05 0.00 0.00 177.00 176.31 3dqk s VAL 193 N -2.32 0.60 -0.18 -0.36 -7.23 -1.26 -4.84 120.40 104.82 3dqk s VAL 193 Ca 0.68 -1.63 -0.29 0.00 -1.81 0.00 0.00 61.98 58.92 3dqk s VAL 193 Cb -0.21 -1.30 -0.01 0.00 0.56 0.00 0.00 36.38 35.42 3dqk s VAL 193 CO 0.42 -0.72 1.14 -0.76 -0.31 0.00 0.00 175.10 174.88 3dqk s LEU 194 N -2.53 4.16 -0.22 1.32 1.43 -1.26 -5.03 118.68 116.55 3dqk s LEU 194 Ca 0.04 1.56 -0.07 0.00 -1.03 0.00 0.00 54.13 54.63 3dqk s LEU 194 Cb 0.00 -3.54 -0.03 0.00 0.03 0.00 0.00 46.19 42.65 3dqk s LEU 194 CO -0.03 -0.68 0.06 -0.76 0.23 0.00 0.00 176.35 175.17 3dqk s LEU 195 N 3.12 3.55 0.47 1.79 1.43 -1.26 -3.83 118.68 123.95 3dqk s LEU 195 Ca 0.50 -0.10 -0.13 0.00 -1.03 0.00 0.00 54.13 53.36 3dqk s LEU 195 Cb -0.19 -1.93 -0.07 0.00 0.03 0.00 0.00 46.19 44.04 3dqk s LEU 195 CO 0.12 0.05 0.89 -2.16 0.23 0.00 0.00 176.35 175.47 3dqk s PRO 196 N 1.11 3.84 0.84 1.29 0.04 -1.26 -4.92 135.00 135.94 3dqk s PRO 196 Ca 0.04 0.71 -0.11 0.00 0.04 0.00 0.00 61.00 61.68 3dqk s PRO 196 Cb -0.14 -2.25 0.10 0.00 0.04 0.00 0.00 34.50 32.24 3dqk s PRO 196 CO 0.03 -0.18 1.12 -0.51 0.04 0.00 0.00 177.00 177.51 3dqk s ASP 197 N -3.19 3.73 0.04 6.66 1.01 -1.26 -3.89 116.67 119.77 3dqk s ASP 197 Ca 0.55 2.04 -0.36 0.00 0.71 0.00 0.00 52.55 55.48 3dqk s ASP 197 Cb -0.10 -2.55 -0.15 0.00 1.01 0.00 0.00 42.92 41.13 3dqk s ASP 197 CO 0.33 -2.56 1.49 0.59 0.21 0.00 0.00 175.17 175.23 3dqk n ASN 198 N -3.80 2.24 -2.96 0.27 4.13 -1.26 -4.82 115.26 109.06 3dqk n ASN 198 Ca 0.11 1.09 -0.08 0.00 1.68 0.00 0.00 54.58 57.38 3dqk n ASN 198 Cb 0.52 -1.26 0.02 0.00 -1.54 0.00 0.00 39.78 37.53 3dqk n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3dqk s HIS 199 N 1.26 0.12 0.17 3.10 -3.43 -1.01 -4.70 115.29 110.81 3dqk s HIS 199 Ca 0.85 -0.77 0.03 0.00 -0.80 0.00 0.00 55.06 54.38 3dqk s HIS 199 Cb -0.88 0.83 -0.05 0.00 -1.43 0.00 0.00 32.58 31.05 3dqk s HIS 199 CO 0.47 -1.50 -0.05 1.52 -2.00 0.00 0.00 174.74 173.19 3dqk s TYR 200 N -2.24 1.30 -0.14 0.38 -0.85 -0.39 -0.23 117.35 115.18 3dqk s TYR 200 Ca 0.16 -0.87 -0.03 0.00 -0.52 0.00 0.00 57.07 55.81 3dqk s TYR 200 Cb -0.05 -0.71 -0.03 0.00 0.38 0.00 0.00 41.96 41.55 3dqk s TYR 200 CO 0.11 -0.04 -0.02 -0.51 -1.52 0.00 0.00 175.55 173.57 3dqk s LEU 201 N -3.20 3.35 -0.22 -3.49 1.43 0.24 -0.49 118.68 116.31 3dqk s LEU 201 Ca 0.21 -0.05 -0.17 0.00 -1.03 0.00 0.00 54.13 53.09 3dqk s LEU 201 Cb 0.04 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 3dqk s LEU 201 CO 0.03 0.23 0.44 -0.44 0.23 0.00 0.00 176.35 176.84 3dqk s SER 202 N 0.03 6.43 -0.08 2.29 0.01 0.68 -1.09 113.70 121.97 3dqk s SER 202 Ca 0.01 0.52 0.01 0.00 1.31 0.00 0.00 55.95 57.79 3dqk s SER 202 Cb -0.13 -2.25 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 3dqk s SER 202 CO 0.02 -0.16 -0.09 -0.31 0.41 0.00 0.00 173.24 173.11 3dqk s TYR 203 N 1.70 2.88 -0.06 2.43 1.51 0.10 -2.31 117.35 123.59 3dqk s TYR 203 Ca 0.20 -0.16 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 3dqk s TYR 203 Cb -0.15 -1.75 -0.00 0.00 -0.11 0.00 0.00 41.96 39.95 3dqk s TYR 203 CO 0.09 0.17 -0.19 -0.65 -1.11 0.00 0.00 175.55 173.85 3dqk s GLN 204 N -0.46 2.16 -0.03 -0.62 1.11 -0.50 -1.85 119.66 119.47 3dqk s GLN 204 Ca 0.06 -0.69 0.02 0.00 0.01 0.00 0.00 55.36 54.77 3dqk s GLN 204 Cb -0.12 -1.79 0.01 0.00 -1.01 0.00 0.00 33.01 30.10 3dqk s GLN 204 CO 0.02 0.23 -0.08 -1.12 0.01 0.00 0.00 175.29 174.35 3dqk s SER 205 N 0.15 1.08 -0.08 5.90 0.01 -1.26 -1.06 113.70 118.43 3dqk s SER 205 Ca -0.08 -0.16 0.02 0.00 1.31 0.00 0.00 55.95 57.04 3dqk s SER 205 Cb -0.14 -0.32 0.01 0.00 0.21 0.00 0.00 66.02 65.78 3dqk s SER 205 CO 0.04 0.04 -0.15 0.00 0.41 0.00 0.00 173.24 173.58 3dqk s ALA 206 N 0.31 1.49 -0.08 1.44 0.00 0.73 -4.59 121.76 121.06 3dqk s ALA 206 Ca -0.05 -0.57 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 3dqk s ALA 206 Cb -0.09 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.33 3dqk s ALA 206 CO 0.00 0.09 -0.06 -0.51 0.00 0.00 0.00 175.76 175.29 3dqk s LEU 207 N 0.70 3.22 0.00 0.00 1.43 -1.26 -1.48 118.68 121.29 3dqk s LEU 207 Ca -0.13 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 3dqk s LEU 207 Cb -0.16 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.35 3dqk s LEU 207 CO 0.03 0.33 0.41 -1.54 0.23 0.00 0.00 176.35 175.81 3dqk n SER 208 N 2.44 -1.15 -4.18 2.29 3.41 0.11 -4.93 113.62 111.61 3dqk n SER 208 Ca -0.18 -2.44 -0.22 0.00 -0.26 0.00 0.00 58.87 55.77 3dqk n SER 208 Cb 0.53 2.11 -0.13 0.00 -0.26 0.00 0.00 64.21 66.45 3dqk n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqk s LYS 209 N -2.55 1.05 -0.32 4.33 -0.14 -1.26 -1.32 119.74 119.53 3dqk s LYS 209 Ca 0.21 -0.83 -0.22 0.00 -1.36 0.00 0.00 55.97 53.78 3dqk s LYS 209 Cb -0.01 -1.10 -0.00 0.00 -1.68 0.00 0.00 37.83 35.04 3dqk s LYS 209 CO 0.15 0.27 0.70 0.34 -0.76 0.00 0.00 175.35 176.05 3dqk s ASP 210 N -1.21 6.53 0.56 2.83 -1.08 -1.26 -4.95 116.67 118.09 3dqk s ASP 210 Ca 0.03 0.42 0.23 0.00 -0.52 0.00 0.00 52.55 52.72 3dqk s ASP 210 Cb -0.08 -2.36 1.54 0.00 -1.46 0.00 0.00 42.92 40.55 3dqk s ASP 210 CO 0.02 -0.58 2.17 -0.65 0.52 0.00 0.00 175.17 176.65 3dqk h PRO 211 N 8.27 0.00 -0.53 4.34 0.11 -2.04 -1.35 132.00 140.80 3dqk h PRO 211 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dqk h PRO 211 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dqk h PRO 211 CO 0.85 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.73 3dqk n ASN 212 N -4.18 2.83 -4.48 -2.05 3.02 -1.26 -4.86 115.26 104.28 3dqk n ASN 212 Ca -0.01 -2.01 -0.38 0.00 -0.03 0.00 0.00 54.58 52.15 3dqk n ASN 212 Cb 0.16 -0.35 -0.12 0.00 -0.61 0.00 0.00 39.78 38.86 3dqk n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqk s GLU 213 N -1.31 3.59 0.30 3.52 2.56 -0.51 -4.95 118.70 121.89 3dqk s GLU 213 Ca 0.35 -0.55 0.22 0.00 0.00 0.00 0.00 54.97 54.99 3dqk s GLU 213 Cb 0.18 -3.52 0.14 0.00 2.00 0.00 0.00 34.13 32.93 3dqk s GLU 213 CO 0.24 -0.29 1.30 0.87 -0.56 0.00 0.00 175.26 176.82 3dqk h LYS 214 N 8.33 0.00 -7.50 4.30 1.79 -1.89 -3.46 116.57 118.14 3dqk h LYS 214 Ca -0.35 0.00 -0.49 0.00 -2.18 0.00 0.00 60.65 57.64 3dqk h LYS 214 Cb 1.17 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.91 3dqk h LYS 214 CO 0.59 0.07 0.40 1.03 -1.08 0.00 0.00 179.45 180.46 3dqk s ARG 215 N -3.23 2.50 -0.04 3.15 0.52 -1.26 -4.99 118.95 115.60 3dqk s ARG 215 Ca 0.03 0.41 -0.30 0.00 -0.52 0.00 0.00 55.73 55.35 3dqk s ARG 215 Cb 0.07 -1.99 -0.03 0.00 0.52 0.00 0.00 34.95 33.53 3dqk s ARG 215 CO 0.74 -1.28 1.07 0.34 0.02 0.00 0.00 175.30 176.19 3dqk s ASP 216 N -4.32 7.21 0.36 0.23 2.15 -1.26 -4.95 116.67 116.09 3dqk s ASP 216 Ca 0.60 1.69 -0.15 0.00 0.43 0.00 0.00 52.55 55.12 3dqk s ASP 216 Cb -0.12 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 39.98 3dqk s ASP 216 CO 0.52 -0.43 0.73 -1.38 -0.17 0.00 0.00 175.17 174.43 3dqk s HIS 217 N 1.67 0.19 -0.20 -5.34 -3.43 -1.26 -1.23 115.29 105.70 3dqk s HIS 217 Ca 0.52 -0.77 -0.12 0.00 -0.80 0.00 0.00 55.06 53.89 3dqk s HIS 217 Cb -0.22 0.69 0.06 0.00 -1.43 0.00 0.00 32.58 31.68 3dqk s HIS 217 CO 0.23 -1.45 0.49 1.41 -2.00 0.00 0.00 174.74 173.41 3dqk s MET 218 N -2.71 0.49 -0.18 -0.38 1.75 -0.13 -4.98 119.30 113.16 3dqk s MET 218 Ca 0.17 0.88 -0.08 0.00 -1.25 0.00 0.00 55.69 55.41 3dqk s MET 218 Cb -0.05 0.05 -0.04 0.00 2.84 0.00 0.00 34.83 37.64 3dqk s MET 218 CO 0.12 -0.14 0.07 0.08 -0.65 0.00 0.00 175.02 174.49 3dqk s VAL 219 N 1.31 4.87 -0.08 10.11 1.01 -0.44 -0.37 120.40 136.81 3dqk s VAL 219 Ca -0.08 -0.01 0.02 0.00 0.00 0.00 0.00 61.98 61.91 3dqk s VAL 219 Cb -0.07 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.13 3dqk s VAL 219 CO -0.13 0.47 -0.14 -0.22 0.00 0.00 0.00 175.10 175.08 3dqk s LEU 220 N 0.27 1.68 -0.11 3.92 2.96 0.23 -0.71 118.68 126.92 3dqk s LEU 220 Ca 0.04 -0.35 0.03 0.00 -0.22 0.00 0.00 54.13 53.63 3dqk s LEU 220 Cb -0.12 -0.94 0.01 0.00 0.50 0.00 0.00 46.19 45.64 3dqk s LEU 220 CO 0.00 0.03 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.65 3dqk s LEU 221 N 0.75 1.93 0.00 -0.68 2.96 -0.55 -1.16 118.68 121.94 3dqk s LEU 221 Ca -0.12 -0.50 0.05 0.00 -0.22 0.00 0.00 54.13 53.33 3dqk s LEU 221 Cb -0.16 -1.25 -0.01 0.00 0.50 0.00 0.00 46.19 45.26 3dqk s LEU 221 CO 0.03 0.07 -0.14 -1.61 -1.32 0.00 0.00 176.35 173.37 3dqk s GLU 222 N 0.75 1.11 -0.05 1.98 2.02 -0.58 -0.19 118.70 123.73 3dqk s GLU 222 Ca -0.10 -0.58 0.05 0.00 0.02 0.00 0.00 54.97 54.36 3dqk s GLU 222 Cb -0.16 -1.09 -0.01 0.00 0.10 0.00 0.00 34.13 32.97 3dqk s GLU 222 CO 0.01 0.29 -0.21 -0.06 0.02 0.00 0.00 175.26 175.31 3dqk s PHE 223 N -0.46 2.10 -0.05 1.61 0.08 -0.23 -1.25 117.98 119.78 3dqk s PHE 223 Ca 0.05 -0.63 -0.02 0.00 0.12 0.00 0.00 56.93 56.45 3dqk s PHE 223 Cb -0.06 -1.40 0.04 0.00 -0.57 0.00 0.00 43.02 41.03 3dqk s PHE 223 CO -0.00 -0.20 0.10 0.08 -0.10 0.00 0.00 175.22 175.10 3dqk s VAL 224 N -0.04 -0.11 -0.05 -0.44 1.01 0.10 -1.41 120.40 119.46 3dqk s VAL 224 Ca -0.05 0.28 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3dqk s VAL 224 Cb -0.13 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.08 3dqk s VAL 224 CO 0.03 0.12 -0.06 -0.89 0.00 0.00 0.00 175.10 174.29 3dqk s THR 225 N 1.59 0.68 0.37 3.92 2.01 -0.98 -0.65 115.64 122.58 3dqk s THR 225 Ca -0.04 -0.21 -0.26 0.00 0.31 0.00 0.00 61.69 61.50 3dqk s THR 225 Cb -0.12 -0.68 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 3dqk s THR 225 CO -0.05 0.26 1.08 0.00 -0.69 0.00 0.00 174.62 175.22 3dqk s ALA 226 N 0.85 3.18 0.35 7.40 0.00 -0.08 -0.23 121.76 133.24 3dqk s ALA 226 Ca -0.12 0.80 -0.10 0.00 0.00 0.00 0.00 51.96 52.53 3dqk s ALA 226 Cb -0.15 -3.30 0.03 0.00 0.00 0.00 0.00 23.12 19.70 3dqk s ALA 226 CO 0.01 -0.25 0.62 0.00 0.00 0.00 0.00 175.76 176.14 3dqk s ALA 227 N -1.48 -0.09 0.00 0.00 0.00 0.36 -4.53 121.76 116.02 3dqk s ALA 227 Ca 0.54 -1.06 0.00 0.00 0.00 0.00 0.00 51.96 51.44 3dqk s ALA 227 Cb -0.26 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.78 3dqk s ALA 227 CO 0.33 -0.90 0.00 0.41 0.00 0.00 0.00 175.76 175.60 3dqk n GLY 228 N -0.53 0.73 2.95 0.00 0.00 -1.26 -1.27 105.19 105.82 3dqk n GLY 228 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 3dqk n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqk s ILE 229 N -2.00 2.72 -2.00 -0.61 1.01 -1.26 -4.83 121.20 114.22 3dqk s ILE 229 Ca 0.00 -3.44 0.06 0.00 0.00 0.00 0.00 60.65 57.26 3dqk s ILE 229 Cb 0.00 -2.86 0.16 0.00 0.01 0.00 0.00 42.46 39.77 3dqk s ILE 229 CO 0.00 -0.84 0.81 0.35 0.00 0.00 0.00 174.94 175.26