#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqe h PRO -1 N 0.00 0.00 -0.40 -0.67 0.13 -2.06 -0.12 132.00 128.88 3dqe h PRO -1 Ca 0.00 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.05 3dqe h PRO -1 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 3dqe h PRO -1 CO 0.00 0.00 -0.08 1.98 -0.23 0.00 0.00 178.00 179.67 3dqe h MET 0 N 0.00 0.76 -0.18 0.86 1.85 -2.03 -2.41 114.93 113.78 3dqe h MET 0 Ca 0.00 -0.28 -0.03 0.00 -0.61 0.00 0.00 59.70 58.78 3dqe h MET 0 Cb 0.05 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.03 3dqe h MET 0 CO -0.00 0.88 0.01 0.28 -0.40 0.00 0.00 176.91 177.68 3dqe h VAL 1 N 0.57 1.25 -0.97 -5.77 2.07 -1.44 -2.81 116.25 109.15 3dqe h VAL 1 Ca 0.10 -0.82 0.25 0.00 0.82 0.00 0.00 66.70 67.05 3dqe h VAL 1 Cb 0.59 1.44 -0.18 0.00 -1.52 0.00 0.00 31.29 31.62 3dqe h VAL 1 CO 0.04 0.25 -0.04 -1.28 0.02 0.00 0.00 177.57 176.55 3dqe h SER 2 N 0.07 -0.57 -0.57 0.57 0.87 -1.31 0.37 113.55 112.98 3dqe h SER 2 Ca 0.05 0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.89 3dqe h SER 2 Cb 0.36 0.51 -0.03 0.00 -0.44 0.00 0.00 62.40 62.80 3dqe h SER 2 CO 0.01 -0.34 0.34 0.50 -0.53 0.00 0.00 176.83 176.81 3dqe h LYS 3 N 0.01 0.78 -0.30 2.24 3.64 -1.16 0.81 116.57 122.59 3dqe h LYS 3 Ca 0.56 -0.07 -0.14 0.00 -1.27 0.00 0.00 60.65 59.73 3dqe h LYS 3 Cb 1.08 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3dqe h LYS 3 CO -0.93 0.56 -0.37 0.78 -2.27 0.00 0.00 179.45 177.23 3dqe h GLY 4 N 0.77 0.76 0.80 5.01 0.00 -1.40 -2.88 103.07 106.14 3dqe h GLY 4 Ca 0.20 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 3dqe h GLY 4 CO -0.04 0.68 -0.07 0.83 0.00 0.00 0.00 176.54 177.94 3dqe h GLU 5 N 0.58 -0.18 0.00 4.80 5.08 0.20 -2.02 114.58 123.04 3dqe h GLU 5 Ca 0.05 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3dqe h GLU 5 Cb 0.90 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 3dqe h GLU 5 CO 0.08 0.04 0.00 0.93 -1.00 0.00 0.00 179.01 179.06 3dqe h GLU 6 N -0.39 0.00 0.05 2.33 5.08 0.63 -2.58 114.58 119.70 3dqe h GLU 6 Ca -0.02 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.06 3dqe h GLU 6 Cb 0.31 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 3dqe h GLU 6 CO 0.03 0.00 -1.50 -0.07 -1.00 0.00 0.00 179.01 176.47 3dqe h LEU 7 N 0.00 0.17 -3.10 1.33 3.38 -1.16 -3.40 115.31 112.53 3dqe h LEU 7 Ca 0.00 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.71 3dqe h LEU 7 Cb 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3dqe h LEU 7 CO 0.00 1.22 0.00 0.49 0.09 0.00 0.00 178.44 180.24 3dqe n PHE 8 N -3.29 0.65 -0.12 1.13 3.01 -0.87 -4.84 117.46 113.13 3dqe n PHE 8 Ca -0.14 -0.74 -0.12 0.00 1.01 0.00 0.00 57.45 57.45 3dqe n PHE 8 Cb 1.02 -0.19 -0.03 0.00 -0.01 0.00 0.00 39.48 40.28 3dqe n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqe h THR 9 N 1.60 1.28 -0.60 4.37 1.35 -1.68 -3.37 112.91 115.86 3dqe h THR 9 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3dqe h THR 9 Cb 1.12 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.92 3dqe h THR 9 CO 0.12 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.46 3dqe n GLY 10 N 0.03 2.98 3.70 5.82 0.00 -1.26 -4.65 105.19 111.81 3dqe n GLY 10 Ca -0.02 -1.80 -0.39 0.00 0.00 0.00 0.00 46.02 43.80 3dqe n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqe s VAL 11 N 3.46 5.08 -0.19 1.61 1.01 -1.26 -4.43 120.40 125.68 3dqe s VAL 11 Ca 0.00 1.23 -0.04 0.00 0.00 0.00 0.00 61.98 63.16 3dqe s VAL 11 Cb 0.00 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.41 3dqe s VAL 11 CO 0.00 0.23 -0.02 -0.69 0.00 0.00 0.00 175.10 174.62 3dqe s VAL 12 N 1.10 3.83 0.53 2.92 1.01 0.53 -4.95 120.40 125.37 3dqe s VAL 12 Ca 0.32 -0.36 -0.21 0.00 0.00 0.00 0.00 61.98 61.72 3dqe s VAL 12 Cb -0.16 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.45 3dqe s VAL 12 CO 0.13 0.45 1.24 -2.16 0.00 0.00 0.00 175.10 174.77 3dqe s PRO 13 N 0.87 3.30 0.06 2.72 0.04 -1.26 -1.05 135.00 139.67 3dqe s PRO 13 Ca 0.00 1.95 0.06 0.00 0.04 0.00 0.00 61.00 63.05 3dqe s PRO 13 Cb -0.14 -2.20 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 3dqe s PRO 13 CO 0.02 -0.98 -0.18 0.42 0.04 0.00 0.00 177.00 176.32 3dqe s ILE 14 N -1.48 1.43 -0.04 0.56 1.01 0.30 -1.35 121.20 121.62 3dqe s ILE 14 Ca 0.71 -1.21 0.04 0.00 0.00 0.00 0.00 60.65 60.18 3dqe s ILE 14 Cb -0.33 -1.28 -0.00 0.00 0.01 0.00 0.00 42.46 40.86 3dqe s ILE 14 CO 0.38 0.04 -0.14 -0.22 0.00 0.00 0.00 174.94 175.01 3dqe s LEU 15 N -1.37 1.86 -0.04 2.97 2.96 -0.41 -1.93 118.68 122.72 3dqe s LEU 15 Ca 0.04 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.71 3dqe s LEU 15 Cb -0.09 -0.81 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 3dqe s LEU 15 CO 0.02 0.12 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.31 3dqe s VAL 16 N 0.12 1.41 -0.05 1.68 1.01 0.08 -1.31 120.40 123.34 3dqe s VAL 16 Ca -0.04 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.23 3dqe s VAL 16 Cb -0.11 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.09 3dqe s VAL 16 CO 0.02 0.41 -0.05 -1.61 0.00 0.00 0.00 175.10 173.86 3dqe s GLU 17 N -0.08 0.96 -0.08 2.72 0.41 -0.48 -0.02 118.70 122.14 3dqe s GLU 17 Ca -0.01 -0.13 0.02 0.00 -0.41 0.00 0.00 54.97 54.43 3dqe s GLU 17 Cb -0.10 -0.97 0.01 0.00 -1.78 0.00 0.00 34.13 31.29 3dqe s GLU 17 CO 0.01 -0.10 -0.12 -1.17 -0.49 0.00 0.00 175.26 173.40 3dqe s LEU 18 N 1.03 1.59 -0.23 1.80 0.20 0.45 -0.62 118.68 122.89 3dqe s LEU 18 Ca -0.09 -0.31 -0.08 0.00 0.69 0.00 0.00 54.13 54.34 3dqe s LEU 18 Cb -0.14 -0.86 -0.03 0.00 -0.43 0.00 0.00 46.19 44.73 3dqe s LEU 18 CO -0.00 0.01 0.08 -1.81 -0.29 0.00 0.00 176.35 174.34 3dqe s ASP 19 N 0.83 5.35 0.06 3.68 1.01 -0.66 -0.84 116.67 126.10 3dqe s ASP 19 Ca -0.11 -0.11 0.06 0.00 0.71 0.00 0.00 52.55 53.09 3dqe s ASP 19 Cb -0.15 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.80 3dqe s ASP 19 CO 0.02 0.02 -0.17 -0.83 0.21 0.00 0.00 175.17 174.42 3dqe s GLY 20 N 1.31 0.96 -0.15 0.21 0.00 0.65 -0.77 107.32 109.53 3dqe s GLY 20 Ca 0.05 -1.00 -0.04 0.00 0.00 0.00 0.00 44.72 43.73 3dqe s GLY 20 CO 0.04 -0.99 0.14 -0.35 0.00 0.00 0.00 173.10 171.94 3dqe s ASP 21 N -1.49 1.58 -0.22 1.64 -1.08 -0.44 -0.94 116.67 115.73 3dqe s ASP 21 Ca 0.02 -0.22 0.02 0.00 -0.52 0.00 0.00 52.55 51.86 3dqe s ASP 21 Cb -0.09 0.06 0.04 0.00 -1.46 0.00 0.00 42.92 41.47 3dqe s ASP 21 CO 0.02 -0.31 -0.13 -0.69 0.52 0.00 0.00 175.17 174.59 3dqe s VAL 22 N 2.23 1.94 -1.66 1.11 1.01 -0.55 -0.01 120.40 124.47 3dqe s VAL 22 Ca 0.04 -1.24 -0.18 0.00 0.00 0.00 0.00 61.98 60.60 3dqe s VAL 22 Cb -0.15 -1.97 0.15 0.00 0.00 0.00 0.00 36.38 34.41 3dqe s VAL 22 CO -0.08 0.17 0.82 0.59 0.00 0.00 0.00 175.10 176.60 3dqe n ASN 23 N 4.57 -3.63 0.00 3.32 4.13 0.08 -1.19 115.26 122.54 3dqe n ASN 23 Ca -0.16 -0.95 0.00 0.00 1.68 0.00 0.00 54.58 55.16 3dqe n ASN 23 Cb 0.46 -2.95 0.00 0.00 -1.54 0.00 0.00 39.78 35.74 3dqe n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqe n GLY 24 N -1.43 1.38 3.55 7.41 0.00 -1.26 -4.97 105.19 109.87 3dqe n GLY 24 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 3dqe n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqe s HIS 25 N -3.40 2.24 0.33 1.61 3.76 -0.34 -5.02 115.29 114.47 3dqe s HIS 25 Ca 0.00 0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.65 3dqe s HIS 25 Cb 0.00 -4.59 -0.09 0.00 1.11 0.00 0.00 32.58 29.01 3dqe s HIS 25 CO 0.00 -2.10 1.06 0.15 -0.85 0.00 0.00 174.74 173.00 3dqe s LYS 26 N 5.83 4.43 0.08 1.40 1.02 -1.26 -1.48 119.74 129.76 3dqe s LYS 26 Ca 0.37 1.63 -0.26 0.00 0.02 0.00 0.00 55.97 57.74 3dqe s LYS 26 Cb -0.08 -2.88 0.08 0.00 -0.52 0.00 0.00 37.83 34.42 3dqe s LYS 26 CO 0.15 0.07 0.69 -0.59 -0.92 0.00 0.00 175.35 174.76 3dqe s PHE 27 N -1.41 -0.51 0.00 3.18 -0.71 -0.11 -4.94 117.98 113.49 3dqe s PHE 27 Ca 0.51 0.45 0.04 0.00 -1.04 0.00 0.00 56.93 56.88 3dqe s PHE 27 Cb -0.27 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.06 3dqe s PHE 27 CO 0.34 -0.72 -0.12 -1.12 -1.34 0.00 0.00 175.22 172.25 3dqe s SER 28 N -2.37 1.47 -0.01 1.98 0.01 -1.26 -0.25 113.70 113.27 3dqe s SER 28 Ca -0.00 -0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.02 3dqe s SER 28 Cb -0.01 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 66.07 3dqe s SER 28 CO -0.08 0.12 -0.13 -0.69 0.41 0.00 0.00 173.24 172.87 3dqe s VAL 29 N -0.44 1.01 -0.04 3.43 1.01 -0.02 -1.82 120.40 123.53 3dqe s VAL 29 Ca 0.04 -0.54 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3dqe s VAL 29 Cb -0.05 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.45 3dqe s VAL 29 CO -0.00 0.29 -0.16 -0.44 0.00 0.00 0.00 175.10 174.78 3dqe s SER 30 N -0.24 3.87 0.04 3.32 0.01 -0.61 -0.41 113.70 119.67 3dqe s SER 30 Ca 0.04 -0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.06 3dqe s SER 30 Cb -0.06 -0.75 -0.02 0.00 0.21 0.00 0.00 66.02 65.40 3dqe s SER 30 CO -0.00 0.33 -0.06 -0.83 0.41 0.00 0.00 173.24 173.09 3dqe s GLY 31 N -0.79 0.43 0.03 3.44 0.00 0.97 -0.59 107.32 110.81 3dqe s GLY 31 Ca 0.12 -0.71 0.02 0.00 0.00 0.00 0.00 44.72 44.14 3dqe s GLY 31 CO 0.01 -0.77 -0.06 -0.54 0.00 0.00 0.00 173.10 171.74 3dqe s GLU 32 N -1.53 0.45 0.00 2.90 2.02 -0.79 -0.74 118.70 121.01 3dqe s GLU 32 Ca -0.12 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.27 3dqe s GLU 32 Cb -0.10 -0.23 0.00 0.00 0.10 0.00 0.00 34.13 33.91 3dqe s GLU 32 CO 0.00 0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.73 3dqe n GLY 33 N 1.81 -0.69 3.39 -1.39 0.00 -0.81 -0.99 105.19 106.51 3dqe n GLY 33 Ca -0.21 -0.45 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 3dqe n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqe s GLU 34 N -0.81 1.04 0.13 1.61 -1.05 -0.02 -0.54 118.70 119.06 3dqe s GLU 34 Ca 0.00 -0.24 0.05 0.00 -0.15 0.00 0.00 54.97 54.63 3dqe s GLU 34 Cb 0.00 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 3dqe s GLU 34 CO 0.00 -0.38 -0.13 0.20 0.95 0.00 0.00 175.26 175.91 3dqe s GLY 35 N -1.99 1.08 -0.38 -3.83 0.00 -0.22 -1.29 107.32 100.70 3dqe s GLY 35 Ca -0.05 -1.36 0.03 0.00 0.00 0.00 0.00 44.72 43.34 3dqe s GLY 35 CO -0.02 -1.43 0.36 -0.35 0.00 0.00 0.00 173.10 171.65 3dqe s ASP 36 N -2.70 1.42 0.47 1.64 -1.08 -0.35 -0.35 116.67 115.74 3dqe s ASP 36 Ca 0.12 -1.85 0.26 0.00 -0.52 0.00 0.00 52.55 50.56 3dqe s ASP 36 Cb -0.03 0.34 1.08 0.00 -1.46 0.00 0.00 42.92 42.85 3dqe s ASP 36 CO 0.02 -0.25 1.89 0.00 0.52 0.00 0.00 175.17 177.35 3dqe h ALA 37 N 6.82 1.04 -0.93 3.66 0.00 -1.76 -1.57 119.26 126.52 3dqe h ALA 37 Ca 0.07 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 55.03 3dqe h ALA 37 Cb 1.03 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.71 3dqe h ALA 37 CO 0.22 0.21 0.60 1.15 0.00 0.00 0.00 179.25 181.42 3dqe h THR 38 N 0.00 0.71 -0.14 0.00 2.02 -1.83 -1.79 112.91 111.88 3dqe h THR 38 Ca -0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3dqe h THR 38 Cb 0.65 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.18 3dqe h THR 38 CO 0.02 0.10 0.00 -1.22 0.37 0.00 0.00 175.52 174.79 3dqe n TYR 39 N -4.58 0.17 -2.19 3.16 4.01 -0.68 -4.93 117.16 112.12 3dqe n TYR 39 Ca 0.20 -0.12 -0.17 0.00 -0.16 0.00 0.00 57.90 57.65 3dqe n TYR 39 Cb 0.64 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.64 3dqe n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqe n GLY 40 N 0.91 -0.02 3.52 2.72 0.00 -0.67 -4.71 105.19 106.94 3dqe n GLY 40 Ca 0.11 -0.19 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3dqe n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqe s LYS 41 N -4.61 3.72 -0.05 1.61 2.20 -0.77 -0.30 119.74 121.54 3dqe s LYS 41 Ca 0.00 -0.49 0.05 0.00 -0.36 0.00 0.00 55.97 55.17 3dqe s LYS 41 Cb 0.00 -2.98 -0.01 0.00 -1.51 0.00 0.00 37.83 33.34 3dqe s LYS 41 CO 0.00 0.23 -0.20 -0.51 -0.36 0.00 0.00 175.35 174.51 3dqe s LEU 42 N 0.41 1.97 -0.15 5.43 1.02 -0.08 -1.21 118.68 126.07 3dqe s LEU 42 Ca -0.03 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 53.72 3dqe s LEU 42 Cb -0.14 -1.10 0.03 0.00 0.02 0.00 0.00 46.19 45.00 3dqe s LEU 42 CO 0.02 0.18 -0.07 -0.89 0.02 0.00 0.00 176.35 175.62 3dqe s THR 43 N -0.02 1.15 0.06 5.49 2.01 -0.41 -1.65 115.64 122.27 3dqe s THR 43 Ca -0.04 -0.54 0.03 0.00 0.31 0.00 0.00 61.69 61.44 3dqe s THR 43 Cb -0.12 -1.25 -0.03 0.00 0.01 0.00 0.00 72.50 71.11 3dqe s THR 43 CO 0.03 0.23 -0.09 -0.76 -0.69 0.00 0.00 174.62 173.34 3dqe s LEU 44 N 1.63 2.31 -0.08 4.42 1.43 -0.15 -0.84 118.68 127.40 3dqe s LEU 44 Ca 0.02 -0.66 0.01 0.00 -1.03 0.00 0.00 54.13 52.47 3dqe s LEU 44 Cb -0.14 -0.20 0.02 0.00 0.03 0.00 0.00 46.19 45.89 3dqe s LEU 44 CO -0.08 -0.24 -0.08 -0.75 0.23 0.00 0.00 176.35 175.43 3dqe s LYS 45 N -2.09 1.37 -0.01 1.70 2.20 -0.16 -0.72 119.74 122.03 3dqe s LYS 45 Ca -0.04 -0.24 0.02 0.00 -0.36 0.00 0.00 55.97 55.35 3dqe s LYS 45 Cb -0.07 -1.34 -0.03 0.00 -1.51 0.00 0.00 37.83 34.88 3dqe s LYS 45 CO -0.00 -0.15 -0.05 -0.06 -0.36 0.00 0.00 175.35 174.73 3dqe s PHE 46 N 1.27 2.94 -0.05 4.03 0.08 0.94 -1.88 117.98 125.31 3dqe s PHE 46 Ca -0.04 0.00 0.02 0.00 0.12 0.00 0.00 56.93 57.03 3dqe s PHE 46 Cb -0.14 -1.64 0.01 0.00 -0.57 0.00 0.00 43.02 40.68 3dqe s PHE 46 CO -0.03 0.39 -0.11 0.42 -0.10 0.00 0.00 175.22 175.79 3dqe s ILE 47 N -0.98 0.98 -0.44 0.64 1.01 0.24 -1.14 121.20 121.52 3dqe s ILE 47 Ca 0.17 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.12 3dqe s ILE 47 Cb -0.11 -0.91 0.02 0.00 0.01 0.00 0.00 42.46 41.47 3dqe s ILE 47 CO 0.07 0.32 1.29 0.00 0.00 0.00 0.00 174.94 176.62 3dqe n THR 49 N 6.98 0.00 0.11 0.00 -2.24 -0.75 -3.51 114.28 114.86 3dqe n THR 49 Ca 0.15 -0.12 0.06 0.00 -2.27 0.00 0.00 64.05 61.87 3dqe n THR 49 Cb 0.48 0.00 0.11 0.00 -2.10 0.00 0.00 70.33 68.83 3dqe n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqe n THR 50 N -0.47 0.57 0.00 4.28 -2.24 -1.25 -4.99 114.28 110.17 3dqe n THR 50 Ca 0.20 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.20 3dqe n THR 50 Cb 0.24 0.82 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3dqe n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqe n GLY 51 N 0.62 0.41 3.75 3.38 0.00 -1.23 -4.98 105.19 107.14 3dqe n GLY 51 Ca 0.10 -1.39 -0.40 0.00 0.00 0.00 0.00 46.02 44.33 3dqe n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqe s LYS 52 N 0.00 4.71 -0.05 1.61 2.20 -1.26 -4.43 119.74 122.52 3dqe s LYS 52 Ca 0.00 1.63 -0.30 0.00 -0.36 0.00 0.00 55.97 56.94 3dqe s LYS 52 Cb 0.00 -3.27 -0.02 0.00 -1.51 0.00 0.00 37.83 33.03 3dqe s LYS 52 CO 0.00 0.28 0.99 -1.17 -0.36 0.00 0.00 175.35 175.09 3dqe s LEU 53 N -0.90 4.31 0.00 5.43 2.96 -1.26 -4.92 118.68 124.30 3dqe s LEU 53 Ca 0.45 1.59 0.28 0.00 -0.22 0.00 0.00 54.13 56.23 3dqe s LEU 53 Cb -0.28 -3.56 1.52 0.00 0.50 0.00 0.00 46.19 44.38 3dqe s LEU 53 CO 0.35 -0.35 1.97 -0.81 -1.32 0.00 0.00 176.35 176.19 3dqe n PRO 54 N 4.42 0.64 -4.29 0.98 -0.04 -1.26 -4.79 135.00 130.66 3dqe n PRO 54 Ca 0.07 0.02 -0.16 0.00 -0.04 0.00 0.00 63.50 63.39 3dqe n PRO 54 Cb 0.50 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 3dqe n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqe s VAL 55 N -2.28 1.22 0.24 0.52 -7.23 -1.26 -4.55 120.40 107.05 3dqe s VAL 55 Ca 0.34 -2.07 -0.30 0.00 -1.81 0.00 0.00 61.98 58.14 3dqe s VAL 55 Cb 0.19 -2.02 -0.09 0.00 0.56 0.00 0.00 36.38 35.02 3dqe s VAL 55 CO 0.37 -0.61 1.29 -2.84 -0.31 0.00 0.00 175.10 173.00 3dqe s PRO 56 N -3.76 4.40 0.30 4.82 0.02 -1.26 -4.91 135.00 134.61 3dqe s PRO 56 Ca 0.21 2.08 0.06 0.00 0.02 0.00 0.00 61.00 63.37 3dqe s PRO 56 Cb 0.03 -3.16 0.79 0.00 0.02 0.00 0.00 34.50 32.18 3dqe s PRO 56 CO 0.04 -0.20 1.72 -1.49 -0.33 0.00 0.00 177.00 176.74 3dqe h TRP 57 N 4.75 0.85 -0.01 6.54 4.06 -1.95 -0.16 115.95 130.03 3dqe h TRP 57 Ca -0.46 0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.53 3dqe h TRP 57 Cb 1.22 -0.23 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3dqe h TRP 57 CO 0.60 0.03 0.01 -1.35 -3.56 0.00 0.00 178.44 174.17 3dqe h PRO 58 N 0.51 0.00 0.00 0.49 0.11 -1.90 -0.06 132.00 131.15 3dqe h PRO 58 Ca 0.59 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.70 3dqe h PRO 58 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3dqe h PRO 58 CO -0.49 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.55 3dqe n THR 59 N -4.38 0.74 0.88 -1.15 -2.24 -0.07 -2.73 114.28 105.33 3dqe n THR 59 Ca -0.03 0.15 0.09 0.00 -2.27 0.00 0.00 64.05 62.00 3dqe n THR 59 Cb 0.10 -0.91 -0.04 0.00 -2.10 0.00 0.00 70.33 67.38 3dqe n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dqe n LEU 60 N -1.75 1.52 -0.13 3.22 4.77 -0.04 -4.66 117.00 119.93 3dqe n LEU 60 Ca 0.04 -0.67 -0.04 0.00 -0.03 0.00 0.00 56.01 55.31 3dqe n LEU 60 Cb 0.24 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.36 3dqe n LEU 60 CO 0.19 0.31 0.82 0.58 -1.33 0.00 0.00 177.39 177.95 3dqe h VAL 61 N 1.42 0.62 0.00 4.08 2.07 -1.51 -0.19 116.25 122.73 3dqe h VAL 61 Ca 0.00 -0.02 -0.06 0.00 0.82 0.00 0.00 66.70 67.44 3dqe h VAL 61 Cb 0.59 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 30.91 3dqe h VAL 61 CO 0.00 0.01 -0.28 0.71 0.02 0.00 0.00 177.57 178.03 3dqe h THR 62 N 0.06 1.15 -0.13 2.57 1.35 -1.83 -2.83 112.91 113.24 3dqe h THR 62 Ca 0.21 -0.98 -0.12 0.00 -0.55 0.00 0.00 66.41 64.97 3dqe h THR 62 Cb 0.32 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.28 3dqe h THR 62 CO -0.40 0.28 -0.39 0.74 -0.25 0.00 0.00 175.52 175.50 3dqe h THR 63 N 0.00 1.36 0.00 6.82 2.02 -1.51 -3.45 112.91 118.15 3dqe h THR 63 Ca -0.00 -1.68 -0.22 0.00 0.77 0.00 0.00 66.41 65.28 3dqe h THR 63 Cb 0.52 2.08 -0.01 0.00 -1.74 0.00 0.00 68.15 69.00 3dqe h THR 63 CO 0.04 0.50 1.24 0.49 0.37 0.00 0.00 175.52 178.16 3dqe n PHE 64 N -4.31 0.61 0.00 3.16 3.72 -0.21 -5.05 117.46 115.37 3dqe n PHE 64 Ca -0.07 -1.29 0.00 0.00 -0.05 0.00 0.00 57.45 56.04 3dqe n PHE 64 Cb 0.53 -1.29 0.00 0.00 -0.94 0.00 0.00 39.48 37.78 3dqe n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqe n LEU 68 N 3.49 0.00 0.24 4.37 4.77 -1.26 -5.04 117.00 123.57 3dqe n LEU 68 Ca 0.31 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.45 3dqe n LEU 68 Cb 0.30 0.00 0.72 0.00 -2.33 0.00 0.00 43.42 42.11 3dqe n LEU 68 CO 0.43 0.00 0.98 0.24 -1.33 0.00 0.00 177.39 177.71 3dqe h MET 69 N 0.00 0.00 0.00 3.23 2.86 -2.00 -0.84 114.93 118.18 3dqe h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqe h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqe h MET 69 CO 0.00 0.00 0.09 0.00 1.06 0.00 0.00 176.91 178.06 3dqe n PHE 71 N -2.61 0.12 -1.77 0.00 3.72 -0.32 -4.70 117.46 111.90 3dqe n PHE 71 Ca -0.02 -0.06 -0.39 0.00 -0.05 0.00 0.00 57.45 56.93 3dqe n PHE 71 Cb 0.13 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.71 3dqe n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqe s ALA 72 N -1.88 2.92 -0.46 4.37 0.00 -0.58 -4.09 121.76 122.03 3dqe s ALA 72 Ca 0.34 1.39 -0.23 0.00 0.00 0.00 0.00 51.96 53.45 3dqe s ALA 72 Cb 0.18 -3.58 0.03 0.00 0.00 0.00 0.00 23.12 19.74 3dqe s ALA 72 CO 0.28 -1.36 0.80 0.50 0.00 0.00 0.00 175.76 175.98 3dqe s ARG 73 N -2.80 3.39 -0.25 0.00 3.52 0.15 -4.75 118.95 118.20 3dqe s ARG 73 Ca 0.69 -0.15 -0.23 0.00 -0.13 0.00 0.00 55.73 55.91 3dqe s ARG 73 Cb -0.42 -3.96 -0.01 0.00 -1.56 0.00 0.00 34.95 29.01 3dqe s ARG 73 CO 0.50 -1.16 0.75 0.71 -0.81 0.00 0.00 175.30 175.29 3dqe s TYR 74 N 3.34 3.29 0.68 5.12 1.51 -1.26 -0.96 117.35 129.07 3dqe s TYR 74 Ca 0.29 0.98 -0.17 0.00 -1.01 0.00 0.00 57.07 57.17 3dqe s TYR 74 Cb -0.12 -2.98 -0.02 0.00 -0.11 0.00 0.00 41.96 38.72 3dqe s TYR 74 CO 0.22 -0.38 0.86 -2.30 -1.11 0.00 0.00 175.55 172.83 3dqe n PRO 75 N 5.90 0.58 -0.27 -1.71 -0.02 -1.26 -4.73 135.00 133.49 3dqe n PRO 75 Ca 0.03 0.24 0.07 0.00 -2.02 0.00 0.00 63.50 61.83 3dqe n PRO 75 Cb 0.48 -2.10 0.20 0.00 -0.02 0.00 0.00 33.50 32.06 3dqe n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqe h ASP 76 N -0.04 -0.22 0.41 2.55 3.58 -2.00 0.28 116.42 120.97 3dqe h ASP 76 Ca -0.47 0.19 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3dqe h ASP 76 Cb 1.35 0.31 0.00 0.00 1.72 0.00 0.00 39.33 42.71 3dqe h ASP 76 CO 0.47 -0.16 0.00 0.00 -2.88 0.00 0.00 179.24 176.67 3dqe n HIS 77 N -5.30 0.49 0.32 0.28 1.44 -1.26 -2.58 115.22 108.61 3dqe n HIS 77 Ca 0.16 0.21 0.08 0.00 -2.01 0.00 0.00 57.72 56.16 3dqe n HIS 77 Cb 0.53 -0.84 0.12 0.00 0.12 0.00 0.00 29.99 29.91 3dqe n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqe n MET 78 N -1.97 1.74 0.03 -1.40 2.81 0.95 -4.70 117.12 114.59 3dqe n MET 78 Ca 0.01 -1.72 0.21 0.00 -1.81 0.00 0.00 57.70 54.40 3dqe n MET 78 Cb 0.14 -1.32 0.73 0.00 -0.71 0.00 0.00 33.22 32.06 3dqe n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqe h LYS 79 N 2.93 0.00 0.00 0.03 1.79 -1.21 0.15 116.57 120.25 3dqe h LYS 79 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 3dqe h LYS 79 Cb 0.70 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.35 3dqe h LYS 79 CO 0.00 0.00 0.00 1.04 -1.08 0.00 0.00 179.45 179.41 3dqe n GLN 80 N -4.01 0.13 -0.28 3.15 6.02 -1.26 -3.20 117.38 117.93 3dqe n GLN 80 Ca 0.10 0.17 0.07 0.00 -0.01 0.00 0.00 57.00 57.33 3dqe n GLN 80 Cb 0.66 -1.50 0.20 0.00 1.02 0.00 0.00 30.24 30.61 3dqe n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqe n HIS 81 N -1.39 0.66 -3.18 1.08 8.25 0.53 -4.67 115.22 116.51 3dqe n HIS 81 Ca 0.06 -0.59 -0.45 0.00 -0.26 0.00 0.00 57.72 56.47 3dqe n HIS 81 Cb 0.16 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.15 3dqe n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqe s ASP 82 N -1.21 6.97 0.22 0.41 -1.08 -1.19 -4.52 116.67 116.26 3dqe s ASP 82 Ca 0.30 -2.90 -0.08 0.00 -0.52 0.00 0.00 52.55 49.36 3dqe s ASP 82 Cb 0.19 -2.28 0.25 0.00 -1.46 0.00 0.00 42.92 39.62 3dqe s ASP 82 CO 0.15 -0.62 1.85 0.15 0.52 0.00 0.00 175.17 177.22 3dqe h PHE 83 N 7.53 0.87 -0.31 -5.34 3.57 -1.90 -3.08 116.94 118.29 3dqe h PHE 83 Ca 0.18 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.65 3dqe h PHE 83 Cb 0.96 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.40 3dqe h PHE 83 CO 0.99 0.47 -0.00 0.74 -2.23 0.00 0.00 178.31 178.28 3dqe h PHE 84 N 0.89 0.59 -0.26 0.41 0.04 -1.88 -1.70 116.94 115.04 3dqe h PHE 84 Ca 0.32 -0.10 -0.08 0.00 2.80 0.00 0.00 57.97 60.91 3dqe h PHE 84 Cb 0.09 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.08 3dqe h PHE 84 CO -0.04 0.67 -0.17 0.87 -0.60 0.00 0.00 178.31 179.05 3dqe h LYS 85 N 0.34 0.44 -0.04 1.51 1.57 -1.84 -3.13 116.57 115.42 3dqe h LYS 85 Ca 0.09 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.67 3dqe h LYS 85 Cb 0.44 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.70 3dqe h LYS 85 CO 0.02 0.60 -0.25 0.66 -0.57 0.00 0.00 179.45 179.91 3dqe h SER 86 N 0.41 0.07 0.83 0.86 4.64 -1.23 -0.85 113.55 118.28 3dqe h SER 86 Ca 0.07 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3dqe h SER 86 Cb 0.53 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.60 3dqe h SER 86 CO 0.03 0.32 0.00 0.00 -0.87 0.00 0.00 176.83 176.32 3dqe h ALA 87 N 1.68 1.00 -2.29 5.18 0.00 -1.35 -3.45 119.26 120.03 3dqe h ALA 87 Ca 0.01 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.43 3dqe h ALA 87 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3dqe h ALA 87 CO 0.03 0.00 0.18 -1.64 0.00 0.00 0.00 179.25 177.83 3dqe s MET 88 N -3.35 3.79 0.00 0.00 1.00 -0.33 -0.66 119.30 119.76 3dqe s MET 88 Ca 0.04 0.57 0.28 0.00 0.00 0.00 0.00 55.69 56.58 3dqe s MET 88 Cb 0.09 -2.32 1.01 0.00 0.00 0.00 0.00 34.83 33.61 3dqe s MET 88 CO 0.43 -0.12 1.75 -0.35 0.00 0.00 0.00 175.02 176.73 3dqe n PRO 89 N -1.48 0.30 0.21 2.03 -0.04 -1.26 -4.84 135.00 129.92 3dqe n PRO 89 Ca 0.03 -0.11 0.05 0.00 -0.04 0.00 0.00 63.50 63.44 3dqe n PRO 89 Cb 0.54 -1.50 0.51 0.00 -0.04 0.00 0.00 33.50 33.01 3dqe n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqe h GLU 90 N 0.26 0.04 0.00 0.54 3.07 -1.90 -2.60 114.58 114.00 3dqe h GLU 90 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 3dqe h GLU 90 Cb 0.44 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.35 3dqe h GLU 90 CO 0.00 0.18 0.00 0.41 -1.40 0.00 0.00 179.01 178.20 3dqe n GLY 91 N -1.10 -2.29 3.09 -3.84 0.00 0.16 -4.64 105.19 96.57 3dqe n GLY 91 Ca -0.02 -1.93 -0.09 0.00 0.00 0.00 0.00 46.02 43.97 3dqe n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqe s TYR 92 N -0.24 0.60 -0.06 1.61 -0.85 0.08 -1.02 117.35 117.46 3dqe s TYR 92 Ca 0.00 -0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 55.51 3dqe s TYR 92 Cb 0.00 -0.39 -0.04 0.00 0.38 0.00 0.00 41.96 41.90 3dqe s TYR 92 CO 0.00 -0.24 0.57 0.08 -1.52 0.00 0.00 175.55 174.45 3dqe s VAL 93 N -3.01 5.05 -0.19 -3.49 1.01 0.03 -0.70 120.40 119.10 3dqe s VAL 93 Ca 0.02 1.18 0.01 0.00 0.00 0.00 0.00 61.98 63.18 3dqe s VAL 93 Cb 0.01 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.50 3dqe s VAL 93 CO -0.05 0.35 -0.18 -1.58 0.00 0.00 0.00 175.10 173.64 3dqe s GLN 94 N 0.33 2.93 -0.01 2.72 0.74 0.01 -1.88 119.66 124.50 3dqe s GLN 94 Ca 0.31 -0.87 0.08 0.00 0.05 0.00 0.00 55.36 54.92 3dqe s GLN 94 Cb -0.17 -2.64 -0.02 0.00 1.10 0.00 0.00 33.01 31.28 3dqe s GLN 94 CO 0.15 -0.25 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.18 3dqe s GLU 95 N 1.28 1.96 0.08 1.67 2.02 0.31 -0.89 118.70 125.13 3dqe s GLU 95 Ca 0.04 -0.89 0.02 0.00 0.02 0.00 0.00 54.97 54.16 3dqe s GLU 95 Cb -0.14 -1.91 -0.04 0.00 0.10 0.00 0.00 34.13 32.14 3dqe s GLU 95 CO -0.11 0.52 -0.07 1.03 0.02 0.00 0.00 175.26 176.65 3dqe s ARG 96 N -0.62 0.73 -0.11 1.61 0.52 -0.45 -1.37 118.95 119.27 3dqe s ARG 96 Ca 0.09 -1.12 0.03 0.00 -0.52 0.00 0.00 55.73 54.21 3dqe s ARG 96 Cb -0.09 -0.27 -0.00 0.00 0.52 0.00 0.00 34.95 35.11 3dqe s ARG 96 CO -0.01 0.01 -0.21 0.99 0.02 0.00 0.00 175.30 176.10 3dqe s THR 97 N -2.75 2.29 -0.23 0.02 2.01 0.05 -0.92 115.64 116.10 3dqe s THR 97 Ca 0.04 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.10 3dqe s THR 97 Cb -0.01 -1.90 0.03 0.00 0.01 0.00 0.00 72.50 70.64 3dqe s THR 97 CO -0.03 0.55 -0.11 -0.63 -0.69 0.00 0.00 174.62 173.72 3dqe s ILE 98 N 0.36 2.47 -0.39 1.82 1.01 0.21 -0.44 121.20 126.24 3dqe s ILE 98 Ca -0.17 -1.17 -0.15 0.00 0.00 0.00 0.00 60.65 59.16 3dqe s ILE 98 Cb -0.17 -2.26 0.01 0.00 0.01 0.00 0.00 42.46 40.04 3dqe s ILE 98 CO 0.08 0.22 0.30 -0.36 0.00 0.00 0.00 174.94 175.17 3dqe s PHE 99 N 1.25 3.23 -0.38 3.97 0.08 0.04 -0.59 117.98 125.58 3dqe s PHE 99 Ca -0.01 -0.42 -0.24 0.00 0.12 0.00 0.00 56.93 56.37 3dqe s PHE 99 Cb -0.17 -2.58 0.01 0.00 -0.57 0.00 0.00 43.02 39.72 3dqe s PHE 99 CO -0.07 -0.52 0.84 -0.06 -0.10 0.00 0.00 175.22 175.32 3dqe s PHE 100 N 1.75 3.08 0.02 0.36 0.40 -0.28 -1.05 117.98 122.26 3dqe s PHE 100 Ca 0.06 0.60 -0.37 0.00 -0.60 0.00 0.00 56.93 56.62 3dqe s PHE 100 Cb -0.18 -3.53 -0.16 0.00 0.51 0.00 0.00 43.02 39.66 3dqe s PHE 100 CO 0.11 -0.80 1.49 1.17 0.70 0.00 0.00 175.22 177.89 3dqe n LYS 101 N 6.60 1.40 -2.09 0.44 3.00 -0.52 -0.95 118.16 126.04 3dqe n LYS 101 Ca 0.05 0.51 -0.19 0.00 -0.00 0.00 0.00 58.31 58.68 3dqe n LYS 101 Cb 0.48 -2.19 -0.03 0.00 0.00 0.00 0.00 35.03 33.29 3dqe n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqe n ASP 102 N 3.48 -5.34 -0.12 3.14 8.00 -1.26 -4.83 116.55 119.61 3dqe n ASP 102 Ca 0.20 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3dqe n ASP 102 Cb 0.20 -4.43 0.00 0.00 -0.02 0.00 0.00 41.12 36.88 3dqe n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqe n ASP 103 N -1.38 0.00 -2.03 -2.24 -0.08 -0.13 -4.94 116.55 105.75 3dqe n ASP 103 Ca -0.21 -0.12 0.00 0.00 -1.51 0.00 0.00 54.79 52.95 3dqe n ASP 103 Cb 0.65 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.11 3dqe n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqe n GLY 104 N 0.00 -0.65 3.08 0.27 0.00 -1.16 -4.55 105.19 102.17 3dqe n GLY 104 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3dqe n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqe s ASN 105 N -1.00 1.02 0.04 1.61 2.20 -0.71 -1.13 114.94 116.98 3dqe s ASN 105 Ca 0.00 -0.55 -0.08 0.00 -0.94 0.00 0.00 52.86 51.29 3dqe s ASN 105 Cb 0.00 0.01 -0.05 0.00 -2.00 0.00 0.00 41.25 39.21 3dqe s ASN 105 CO 0.00 -0.17 0.32 -0.31 -2.94 0.00 0.00 177.10 174.00 3dqe s TYR 106 N -1.32 3.57 -0.10 1.54 2.02 0.24 -1.17 117.35 122.13 3dqe s TYR 106 Ca -0.08 0.65 0.01 0.00 -0.37 0.00 0.00 57.07 57.28 3dqe s TYR 106 Cb -0.10 -2.05 0.02 0.00 -0.40 0.00 0.00 41.96 39.43 3dqe s TYR 106 CO 0.01 0.57 -0.13 0.15 -1.57 0.00 0.00 175.55 174.58 3dqe s LYS 107 N -1.88 1.95 -0.03 -0.62 1.02 0.82 -0.62 119.74 120.38 3dqe s LYS 107 Ca 0.30 -0.46 0.05 0.00 0.02 0.00 0.00 55.97 55.88 3dqe s LYS 107 Cb -0.13 -1.71 -0.01 0.00 -0.52 0.00 0.00 37.83 35.46 3dqe s LYS 107 CO 0.18 -0.08 -0.18 0.95 -0.92 0.00 0.00 175.35 175.29 3dqe s THR 108 N 1.05 1.49 -0.13 2.17 -4.23 -0.10 -0.80 115.64 115.09 3dqe s THR 108 Ca -0.06 -0.77 0.01 0.00 -1.18 0.00 0.00 61.69 59.69 3dqe s THR 108 Cb -0.15 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.45 3dqe s THR 108 CO -0.02 0.42 -0.16 -0.60 -0.54 0.00 0.00 174.62 173.73 3dqe s ARG 109 N -0.14 2.40 0.09 3.99 3.52 -0.57 -1.34 118.95 126.89 3dqe s ARG 109 Ca 0.00 -0.62 0.08 0.00 -0.13 0.00 0.00 55.73 55.07 3dqe s ARG 109 Cb -0.10 -2.06 -0.03 0.00 -1.56 0.00 0.00 34.95 31.20 3dqe s ARG 109 CO 0.01 -0.11 -0.21 0.00 -0.81 0.00 0.00 175.30 174.18 3dqe s ALA 110 N 1.11 1.84 -0.14 6.12 0.00 -0.07 -1.05 121.76 129.56 3dqe s ALA 110 Ca -0.03 -1.21 0.02 0.00 0.00 0.00 0.00 51.96 50.74 3dqe s ALA 110 Cb -0.14 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.69 3dqe s ALA 110 CO -0.05 0.39 -0.20 -1.21 0.00 0.00 0.00 175.76 174.70 3dqe s GLU 111 N -1.69 3.11 -0.21 0.00 2.02 -0.15 -0.81 118.70 120.97 3dqe s GLU 111 Ca 0.07 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.24 3dqe s GLU 111 Cb -0.10 -2.49 0.01 0.00 0.10 0.00 0.00 34.13 31.66 3dqe s GLU 111 CO 0.04 0.04 -0.12 0.08 0.02 0.00 0.00 175.26 175.31 3dqe s VAL 112 N 0.71 2.62 0.20 2.63 1.01 0.12 -1.28 120.40 126.42 3dqe s VAL 112 Ca -0.09 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 60.84 3dqe s VAL 112 Cb -0.16 -2.19 0.05 0.00 0.00 0.00 0.00 36.38 34.09 3dqe s VAL 112 CO 0.01 0.43 0.65 -1.59 0.00 0.00 0.00 175.10 174.59 3dqe s LYS 113 N 1.35 1.46 0.32 2.72 -2.85 -0.45 -0.74 119.74 121.54 3dqe s LYS 113 Ca 0.04 -0.65 -0.26 0.00 -1.00 0.00 0.00 55.97 54.09 3dqe s LYS 113 Cb -0.14 0.59 -0.10 0.00 -2.06 0.00 0.00 37.83 36.12 3dqe s LYS 113 CO -0.08 -0.65 0.96 -0.06 0.10 0.00 0.00 175.35 175.62 3dqe s PHE 114 N -3.80 3.68 -0.41 1.78 0.08 -0.98 -0.95 117.98 117.38 3dqe s PHE 114 Ca 0.05 1.78 0.03 0.00 0.12 0.00 0.00 56.93 58.91 3dqe s PHE 114 Cb -0.03 -2.96 0.11 0.00 -0.57 0.00 0.00 43.02 39.58 3dqe s PHE 114 CO -0.06 0.13 0.15 -1.21 -0.10 0.00 0.00 175.22 174.13 3dqe s GLU 115 N -1.99 1.56 7.35 0.44 0.41 0.18 -4.93 118.70 121.73 3dqe s GLU 115 Ca 0.50 -2.09 0.00 0.00 -0.41 0.00 0.00 54.97 52.97 3dqe s GLU 115 Cb -0.20 -3.03 0.00 0.00 -1.78 0.00 0.00 34.13 29.12 3dqe s GLU 115 CO 0.25 -1.03 0.00 0.41 -0.49 0.00 0.00 175.26 174.40 3dqe n GLY 116 N 3.81 2.53 0.11 -1.39 0.00 -1.26 -1.95 105.19 107.04 3dqe n GLY 116 Ca 0.04 -0.29 0.13 0.00 0.00 0.00 0.00 46.02 45.91 3dqe n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqe n ASP 117 N 6.23 0.54 -4.70 1.61 8.00 -1.26 -4.87 116.55 122.11 3dqe n ASP 117 Ca 0.00 -0.45 -0.35 0.00 0.71 0.00 0.00 54.79 54.70 3dqe n ASP 117 Cb 0.00 -0.02 -0.09 0.00 -0.02 0.00 0.00 41.12 41.00 3dqe n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqe s THR 118 N -2.65 5.10 -0.36 -3.53 2.01 -0.82 -4.39 115.64 111.00 3dqe s THR 118 Ca 0.23 0.07 -0.21 0.00 0.31 0.00 0.00 61.69 62.09 3dqe s THR 118 Cb 0.19 -3.30 0.00 0.00 0.01 0.00 0.00 72.50 69.41 3dqe s THR 118 CO 0.54 0.47 0.66 -0.22 -0.69 0.00 0.00 174.62 175.38 3dqe s LEU 119 N 0.20 4.24 -0.13 4.42 1.98 -0.46 -0.65 118.68 128.27 3dqe s LEU 119 Ca 0.06 0.18 -0.06 0.00 -2.89 0.00 0.00 54.13 51.43 3dqe s LEU 119 Cb -0.12 -2.83 -0.04 0.00 0.66 0.00 0.00 46.19 43.87 3dqe s LEU 119 CO -0.00 -0.62 0.07 -0.69 -1.89 0.00 0.00 176.35 173.22 3dqe s VAL 120 N 2.78 4.88 -0.37 1.68 1.01 -0.12 -1.29 120.40 128.96 3dqe s VAL 120 Ca 0.26 -0.02 0.03 0.00 0.00 0.00 0.00 61.98 62.25 3dqe s VAL 120 Cb -0.14 -3.13 0.11 0.00 0.00 0.00 0.00 36.38 33.21 3dqe s VAL 120 CO 0.15 0.56 0.11 0.21 0.00 0.00 0.00 175.10 176.13 3dqe s ASN 121 N -0.47 4.44 -0.25 3.32 2.47 -0.43 -1.34 114.94 122.68 3dqe s ASN 121 Ca 0.10 -2.23 -0.12 0.00 0.42 0.00 0.00 52.86 51.04 3dqe s ASN 121 Cb -0.12 -1.42 -0.05 0.00 -1.45 0.00 0.00 41.25 38.22 3dqe s ASN 121 CO 0.02 -0.35 0.21 -0.13 -3.72 0.00 0.00 177.10 173.13 3dqe s ARG 122 N 0.81 4.03 0.02 0.43 0.52 -0.40 -1.38 118.95 122.98 3dqe s ARG 122 Ca 0.12 -0.22 0.06 0.00 -0.52 0.00 0.00 55.73 55.17 3dqe s ARG 122 Cb -0.20 -3.60 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 3dqe s ARG 122 CO -0.10 -0.07 -0.17 0.42 0.02 0.00 0.00 175.30 175.40 3dqe s ILE 123 N 1.44 1.37 -0.07 1.52 1.01 0.20 -0.98 121.20 125.70 3dqe s ILE 123 Ca 0.09 -0.92 0.05 0.00 0.00 0.00 0.00 60.65 59.87 3dqe s ILE 123 Cb -0.15 -1.18 -0.01 0.00 0.01 0.00 0.00 42.46 41.13 3dqe s ILE 123 CO 0.08 0.24 -0.22 -1.61 0.00 0.00 0.00 174.94 173.42 3dqe s GLU 124 N -0.80 2.67 -0.07 2.79 2.02 -0.22 -1.65 118.70 123.44 3dqe s GLU 124 Ca 0.06 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.23 3dqe s GLU 124 Cb -0.07 -2.26 0.01 0.00 0.10 0.00 0.00 34.13 31.91 3dqe s GLU 124 CO 0.01 0.39 -0.14 -1.17 0.02 0.00 0.00 175.26 174.37 3dqe s LEU 125 N -0.17 1.70 -0.12 1.80 0.20 0.05 -1.51 118.68 120.63 3dqe s LEU 125 Ca -0.03 -0.33 0.03 0.00 0.69 0.00 0.00 54.13 54.49 3dqe s LEU 125 Cb -0.14 -0.91 0.00 0.00 -0.43 0.00 0.00 46.19 44.72 3dqe s LEU 125 CO 0.04 0.05 -0.22 -0.54 -0.29 0.00 0.00 176.35 175.38 3dqe s LYS 126 N 0.63 3.07 -0.09 1.98 -0.14 0.02 -1.33 119.74 123.88 3dqe s LYS 126 Ca -0.15 -0.86 0.00 0.00 -1.36 0.00 0.00 55.97 53.61 3dqe s LYS 126 Cb -0.16 -2.37 -0.03 0.00 -1.68 0.00 0.00 37.83 33.59 3dqe s LYS 126 CO 0.04 0.12 -0.09 0.20 -0.76 0.00 0.00 175.35 174.87 3dqe s GLY 127 N 0.49 1.63 0.11 -3.33 0.00 0.98 -0.13 107.32 107.08 3dqe s GLY 127 Ca -0.15 -0.89 0.02 0.00 0.00 0.00 0.00 44.72 43.70 3dqe s GLY 127 CO 0.05 -0.47 -0.06 -0.26 0.00 0.00 0.00 173.10 172.37 3dqe s ILE 128 N -0.33 0.68 -1.66 0.90 -4.36 -0.32 -0.74 121.20 115.37 3dqe s ILE 128 Ca 0.04 -1.94 0.00 0.00 -0.26 0.00 0.00 60.65 58.49 3dqe s ILE 128 Cb -0.13 -1.74 0.00 0.00 1.25 0.00 0.00 42.46 41.84 3dqe s ILE 128 CO 0.02 -0.82 0.00 0.47 0.24 0.00 0.00 174.94 174.86 3dqe n ASP 129 N -0.07 -5.00 -4.79 4.36 8.00 -1.26 -1.73 116.55 116.06 3dqe n ASP 129 Ca -0.11 0.26 -0.36 0.00 0.71 0.00 0.00 54.79 55.28 3dqe n ASP 129 Cb 0.61 -4.03 -0.04 0.00 -0.02 0.00 0.00 41.12 37.64 3dqe n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqe s PHE 130 N -2.70 3.28 -0.21 1.24 0.08 -1.26 -3.00 117.98 115.41 3dqe s PHE 130 Ca 0.00 1.65 -0.26 0.00 0.12 0.00 0.00 56.93 58.44 3dqe s PHE 130 Cb 0.00 -3.08 -0.00 0.00 -0.57 0.00 0.00 43.02 39.36 3dqe s PHE 130 CO 0.00 -0.53 0.89 0.15 -0.10 0.00 0.00 175.22 175.63 3dqe s LYS 131 N -2.57 4.25 0.04 0.44 1.02 -1.26 -4.89 119.74 116.77 3dqe s LYS 131 Ca 0.58 1.10 -0.03 0.00 0.02 0.00 0.00 55.97 57.64 3dqe s LYS 131 Cb -0.20 -3.62 0.04 0.00 -0.52 0.00 0.00 37.83 33.53 3dqe s LYS 131 CO 0.25 -0.48 0.25 0.39 -0.92 0.00 0.00 175.35 174.85 3dqe n GLU 132 N 5.79 -0.04 -0.10 1.68 -0.58 -1.26 -0.96 120.64 125.17 3dqe n GLU 132 Ca 0.07 0.24 0.10 0.00 -0.42 0.00 0.00 57.16 57.15 3dqe n GLU 132 Cb 0.48 -0.36 0.14 0.00 -0.57 0.00 0.00 31.44 31.13 3dqe n GLU 132 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 3dqe n ASP 133 N -4.23 2.32 -2.12 1.62 5.75 -1.26 -3.72 116.55 114.90 3dqe n ASP 133 Ca 0.02 -3.13 0.00 0.00 -0.01 0.00 0.00 54.79 51.66 3dqe n ASP 133 Cb 0.06 -0.44 0.00 0.00 -1.03 0.00 0.00 41.12 39.72 3dqe n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqe n GLY 134 N -1.42 -1.19 0.26 6.12 0.00 -0.14 -4.64 105.19 104.18 3dqe n GLY 134 Ca 0.16 -1.65 0.10 0.00 0.00 0.00 0.00 46.02 44.63 3dqe n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqe h ASN 135 N -0.06 0.00 0.00 1.61 2.35 -1.91 0.11 115.58 117.67 3dqe h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dqe h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dqe h ASN 135 CO 0.00 0.08 -0.14 -0.38 -1.65 0.00 0.00 177.43 175.34 3dqe n ILE 136 N -4.12 0.38 0.25 2.81 -0.00 -1.26 -1.22 119.36 116.20 3dqe n ILE 136 Ca -0.03 0.42 0.13 0.00 -0.00 0.00 0.00 62.75 63.28 3dqe n ILE 136 Cb 0.16 -1.74 0.55 0.00 -0.00 0.00 0.00 39.64 38.61 3dqe n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqe h LEU 137 N -0.27 0.00 -0.97 1.39 3.38 -1.73 -1.91 115.31 115.20 3dqe h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqe h LEU 137 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 3dqe h LEU 137 CO 0.00 0.12 0.00 0.61 0.09 0.00 0.00 178.44 179.26 3dqe n GLY 138 N 0.12 0.06 3.62 0.83 0.00 0.39 -4.85 105.19 105.37 3dqe n GLY 138 Ca 0.00 -0.42 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 3dqe n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqe n HIS 139 N 0.18 -1.99 -0.46 1.61 8.25 -0.72 -4.91 115.22 117.18 3dqe n HIS 139 Ca 0.18 0.79 0.09 0.00 -0.26 0.00 0.00 57.72 58.52 3dqe n HIS 139 Cb 0.33 -4.28 0.28 0.00 1.12 0.00 0.00 29.99 27.44 3dqe n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqe n LYS 140 N -4.12 3.12 -3.71 -0.41 5.02 -0.36 -4.96 118.16 112.74 3dqe n LYS 140 Ca -0.24 -2.58 -0.36 0.00 -2.02 0.00 0.00 58.31 53.11 3dqe n LYS 140 Cb 0.66 -1.61 -0.07 0.00 -0.02 0.00 0.00 35.03 33.98 3dqe n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqe s LEU 141 N -1.46 4.25 0.65 -0.35 1.43 -1.25 -0.96 118.68 121.00 3dqe s LEU 141 Ca 0.41 0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 53.68 3dqe s LEU 141 Cb 0.25 -2.15 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3dqe s LEU 141 CO 0.23 0.21 1.25 -1.61 0.23 0.00 0.00 176.35 176.66 3dqe s GLU 142 N 0.11 2.59 -1.22 1.70 2.02 -0.42 -4.85 118.70 118.63 3dqe s GLU 142 Ca 0.11 1.94 -0.11 0.00 0.02 0.00 0.00 54.97 56.93 3dqe s GLU 142 Cb -0.12 -1.87 0.19 0.00 0.10 0.00 0.00 34.13 32.43 3dqe s GLU 142 CO 0.00 -1.53 1.58 0.98 0.02 0.00 0.00 175.26 176.31 3dqe n TYR 143 N -1.97 4.09 -3.58 1.61 9.36 -1.26 -4.82 117.16 120.60 3dqe n TYR 143 Ca 0.15 -3.15 -0.06 0.00 3.32 0.00 0.00 57.90 58.16 3dqe n TYR 143 Cb 0.49 -2.01 0.01 0.00 -0.63 0.00 0.00 39.34 37.20 3dqe n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqe n ASN 144 N 4.51 -1.35 -3.64 2.98 0.23 -1.26 -4.91 115.26 111.83 3dqe n ASN 144 Ca 0.36 -2.05 -0.06 0.00 -0.53 0.00 0.00 54.58 52.30 3dqe n ASN 144 Cb 0.39 2.28 -0.07 0.00 -2.08 0.00 0.00 39.78 40.31 3dqe n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqe s TYR 145 N -4.47 -0.77 0.26 -2.53 5.04 -1.26 -4.90 117.35 108.72 3dqe s TYR 145 Ca 0.12 1.61 -0.06 0.00 -2.44 0.00 0.00 57.07 56.30 3dqe s TYR 145 Cb -0.03 0.45 -0.06 0.00 0.35 0.00 0.00 41.96 42.68 3dqe s TYR 145 CO 0.09 -0.38 0.54 -0.80 -1.34 0.00 0.00 175.55 173.65 3dqe s ASN 146 N 1.20 6.50 0.49 4.32 0.01 -1.26 -4.77 114.94 121.43 3dqe s ASN 146 Ca -0.07 0.76 -0.20 0.00 -0.71 0.00 0.00 52.86 52.64 3dqe s ASN 146 Cb -0.04 -2.16 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 3dqe s ASN 146 CO -0.14 -0.14 1.05 -0.44 -1.51 0.00 0.00 177.10 175.92 3dqe s SER 147 N -2.87 6.26 -0.24 -1.22 0.01 -1.26 -4.69 113.70 109.68 3dqe s SER 147 Ca 0.45 1.96 -0.13 0.00 1.31 0.00 0.00 55.95 59.54 3dqe s SER 147 Cb -0.11 -2.56 0.08 0.00 0.21 0.00 0.00 66.02 63.64 3dqe s SER 147 CO 0.27 -0.84 0.59 -1.00 0.41 0.00 0.00 173.24 172.67 3dqe s HIS 148 N -1.95 -0.94 0.18 2.43 3.76 -0.84 -5.02 115.29 112.91 3dqe s HIS 148 Ca 0.68 1.87 -0.30 0.00 -0.15 0.00 0.00 55.06 57.16 3dqe s HIS 148 Cb -0.17 0.53 -0.08 0.00 1.11 0.00 0.00 32.58 33.97 3dqe s HIS 148 CO 0.21 -0.48 1.01 -0.80 -0.85 0.00 0.00 174.74 173.82 3dqe s ASN 149 N 1.72 7.46 -0.19 1.40 0.02 -1.26 -0.49 114.94 123.60 3dqe s ASN 149 Ca -0.09 1.97 -0.02 0.00 -1.02 0.00 0.00 52.86 53.70 3dqe s ASN 149 Cb -0.07 -2.60 -0.00 0.00 0.02 0.00 0.00 41.25 38.59 3dqe s ASN 149 CO -0.17 -0.05 -0.10 -0.69 0.02 0.00 0.00 177.10 176.10 3dqe s VAL 150 N -0.53 2.97 -0.26 1.60 1.01 -0.07 -4.80 120.40 120.31 3dqe s VAL 150 Ca 0.46 -0.64 -0.10 0.00 0.00 0.00 0.00 61.98 61.69 3dqe s VAL 150 Cb -0.27 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 3dqe s VAL 150 CO 0.33 0.48 0.17 -0.31 0.00 0.00 0.00 175.10 175.76 3dqe s TYR 151 N 1.17 3.26 -0.15 5.22 2.02 -1.22 -0.52 117.35 127.13 3dqe s TYR 151 Ca 0.02 0.14 -0.07 0.00 -0.37 0.00 0.00 57.07 56.78 3dqe s TYR 151 Cb -0.14 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.06 3dqe s TYR 151 CO -0.03 -0.06 0.11 0.42 -1.57 0.00 0.00 175.55 174.41 3dqe s ILE 152 N 1.40 5.20 0.09 2.71 1.01 0.54 -3.00 121.20 129.14 3dqe s ILE 152 Ca 0.07 0.10 0.04 0.00 0.00 0.00 0.00 60.65 60.86 3dqe s ILE 152 Cb -0.15 -3.31 -0.03 0.00 0.01 0.00 0.00 42.46 38.98 3dqe s ILE 152 CO 0.07 0.53 -0.10 0.00 0.00 0.00 0.00 174.94 175.44 3dqe s MET 153 N -0.30 0.81 0.52 2.79 0.23 -0.40 -2.44 119.30 120.51 3dqe s MET 153 Ca 0.10 -1.11 -0.22 0.00 -1.03 0.00 0.00 55.69 53.43 3dqe s MET 153 Cb -0.12 -0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.61 3dqe s MET 153 CO 0.01 0.08 1.31 0.00 -2.03 0.00 0.00 175.02 174.39 3dqe s ALA 154 N -2.29 2.86 -0.57 3.16 0.00 -1.25 -0.66 121.76 123.01 3dqe s ALA 154 Ca 0.04 1.23 0.06 0.00 0.00 0.00 0.00 51.96 53.28 3dqe s ALA 154 Cb -0.04 -3.52 0.21 0.00 0.00 0.00 0.00 23.12 19.77 3dqe s ALA 154 CO 0.00 -1.19 0.55 -3.47 0.00 0.00 0.00 175.76 171.66 3dqe n ASP 155 N -0.88 2.08 -0.17 0.00 -0.08 0.40 -4.56 116.55 113.33 3dqe n ASP 155 Ca 0.10 -3.04 -0.10 0.00 -1.51 0.00 0.00 54.79 50.24 3dqe n ASP 155 Cb 0.46 -0.67 0.02 0.00 2.34 0.00 0.00 41.12 43.27 3dqe n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqe h LYS 156 N 4.79 1.01 0.00 -0.67 1.57 -1.93 -1.25 116.57 120.08 3dqe h LYS 156 Ca 0.17 -0.38 0.00 0.00 -1.87 0.00 0.00 60.65 58.57 3dqe h LYS 156 Cb 0.78 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.03 3dqe h LYS 156 CO 0.64 1.06 0.03 1.96 -0.57 0.00 0.00 179.45 182.58 3dqe h GLN 157 N 0.89 0.00 -0.21 3.15 4.20 -1.94 -2.29 115.11 118.91 3dqe h GLN 157 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3dqe h GLN 157 Cb 0.69 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.47 3dqe h GLN 157 CO 0.05 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.84 3dqe n LYS 158 N -2.91 2.74 -3.11 1.46 5.02 -0.53 -4.99 118.16 115.84 3dqe n LYS 158 Ca -0.03 -2.17 -0.20 0.00 -2.02 0.00 0.00 58.31 53.89 3dqe n LYS 158 Cb 0.09 -1.37 -0.00 0.00 -0.02 0.00 0.00 35.03 33.73 3dqe n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqe n ASN 159 N -0.17 -3.72 0.00 4.39 5.15 -0.86 -4.82 115.26 115.22 3dqe n ASN 159 Ca 0.12 -0.22 0.00 0.00 -0.60 0.00 0.00 54.58 53.88 3dqe n ASN 159 Cb 0.52 -3.11 0.00 0.00 -0.53 0.00 0.00 39.78 36.66 3dqe n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqe n GLY 160 N -1.07 4.61 3.34 8.20 0.00 -0.82 -4.37 105.19 115.07 3dqe n GLY 160 Ca -0.05 -1.09 -0.18 0.00 0.00 0.00 0.00 46.02 44.70 3dqe n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqe s ILE 161 N -0.81 1.64 0.06 -0.61 -4.36 -0.77 -0.46 121.20 115.90 3dqe s ILE 161 Ca 0.00 -2.18 0.09 0.00 -0.26 0.00 0.00 60.65 58.29 3dqe s ILE 161 Cb 0.00 -2.05 -0.03 0.00 1.25 0.00 0.00 42.46 41.63 3dqe s ILE 161 CO 0.00 -0.59 -0.24 -0.54 0.24 0.00 0.00 174.94 173.81 3dqe s LYS 162 N -3.67 1.50 -0.02 0.37 1.02 0.17 -1.51 119.74 117.61 3dqe s LYS 162 Ca 0.22 -1.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.11 3dqe s LYS 162 Cb 0.00 -1.72 0.01 0.00 -0.52 0.00 0.00 37.83 35.60 3dqe s LYS 162 CO 0.06 0.43 0.05 0.08 -0.92 0.00 0.00 175.35 175.05 3dqe s VAL 163 N -0.89 -0.00 -0.02 3.17 1.01 -0.25 -1.27 120.40 122.15 3dqe s VAL 163 Ca 0.10 0.01 -0.01 0.00 0.00 0.00 0.00 61.98 62.08 3dqe s VAL 163 Cb -0.10 -0.08 0.01 0.00 0.00 0.00 0.00 36.38 36.21 3dqe s VAL 163 CO 0.03 0.01 0.04 0.21 0.00 0.00 0.00 175.10 175.38 3dqe s ASN 164 N 0.10 -0.02 -0.21 3.32 3.84 -1.16 -1.25 114.94 119.56 3dqe s ASN 164 Ca -0.01 0.08 -0.36 0.00 0.21 0.00 0.00 52.86 52.78 3dqe s ASN 164 Cb -0.01 0.06 0.14 0.00 -0.55 0.00 0.00 41.25 40.89 3dqe s ASN 164 CO -0.00 -0.04 1.27 0.72 -2.79 0.00 0.00 177.10 176.27 3dqe s PHE 165 N 0.22 -0.08 -0.10 0.43 -0.71 -0.91 -3.39 117.98 113.45 3dqe s PHE 165 Ca -0.02 0.04 0.02 0.00 -1.04 0.00 0.00 56.93 55.94 3dqe s PHE 165 Cb -0.03 0.51 -0.01 0.00 -1.21 0.00 0.00 43.02 42.28 3dqe s PHE 165 CO -0.01 -0.15 -0.17 0.15 -1.34 0.00 0.00 175.22 173.71 3dqe s LYS 166 N -2.29 3.01 -0.10 1.99 1.02 -1.26 -0.60 119.74 121.50 3dqe s LYS 166 Ca 0.11 -0.75 0.00 0.00 0.02 0.00 0.00 55.97 55.35 3dqe s LYS 166 Cb -0.00 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.83 3dqe s LYS 166 CO -0.04 0.33 -0.11 0.42 -0.92 0.00 0.00 175.35 175.03 3dqe s ILE 167 N 0.02 3.27 -0.29 2.17 -1.09 -0.18 -4.98 121.20 120.12 3dqe s ILE 167 Ca -0.06 -0.61 -0.07 0.00 -2.23 0.00 0.00 60.65 57.69 3dqe s ILE 167 Cb -0.15 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.38 3dqe s ILE 167 CO 0.05 0.55 0.08 -0.13 -1.23 0.00 0.00 174.94 174.25 3dqe s ARG 168 N -0.09 3.17 -0.20 2.79 0.52 -1.26 -0.28 118.95 123.59 3dqe s ARG 168 Ca -0.01 -0.81 -0.18 0.00 -0.52 0.00 0.00 55.73 54.21 3dqe s ARG 168 Cb -0.14 -3.37 -0.03 0.00 0.52 0.00 0.00 34.95 31.93 3dqe s ARG 168 CO 0.03 -0.41 0.51 -1.01 0.02 0.00 0.00 175.30 174.44 3dqe s HIS 169 N 1.52 3.37 0.21 -0.53 3.76 0.02 -4.60 115.29 119.04 3dqe s HIS 169 Ca 0.03 0.76 -0.31 0.00 -0.15 0.00 0.00 55.06 55.38 3dqe s HIS 169 Cb -0.17 -2.66 -0.11 0.00 1.11 0.00 0.00 32.58 30.76 3dqe s HIS 169 CO 0.03 -0.09 1.62 -0.80 -0.85 0.00 0.00 174.74 174.64 3dqe s ASN 170 N 1.14 6.48 0.20 1.40 0.01 -1.26 -0.64 114.94 122.27 3dqe s ASN 170 Ca 0.23 2.77 -0.03 0.00 -0.71 0.00 0.00 52.86 55.13 3dqe s ASN 170 Cb -0.15 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 38.85 3dqe s ASN 170 CO 0.09 -0.88 0.42 -0.63 -1.51 0.00 0.00 177.10 174.59 3dqe s ILE 171 N 0.88 5.15 0.43 0.60 1.01 -0.40 -1.30 121.20 127.56 3dqe s ILE 171 Ca 0.70 -0.14 0.10 0.00 0.00 0.00 0.00 60.65 61.31 3dqe s ILE 171 Cb -0.46 -3.70 0.29 0.00 0.01 0.00 0.00 42.46 38.60 3dqe s ILE 171 CO 0.35 -0.14 2.03 1.05 0.00 0.00 0.00 174.94 178.24 3dqe h GLU 172 N 2.20 0.45 0.00 2.79 4.11 -1.36 -1.34 114.58 121.43 3dqe h GLU 172 Ca -0.47 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 58.93 3dqe h GLU 172 Cb 1.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3dqe h GLU 172 CO 0.69 0.30 0.00 -0.40 0.07 0.00 0.00 179.01 179.67 3dqe n ASP 173 N -4.48 0.00 0.00 3.06 5.68 -1.26 -4.86 116.55 114.69 3dqe n ASP 173 Ca 0.05 -0.89 0.00 0.00 -0.50 0.00 0.00 54.79 53.46 3dqe n ASP 173 Cb 0.18 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.16 3dqe n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqe n GLY 174 N 0.43 1.08 0.00 6.12 0.00 -0.50 -5.08 105.19 107.23 3dqe n GLY 174 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3dqe n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqe n SER 175 N 0.00 -0.09 -4.05 1.61 2.88 -1.26 -4.80 113.62 107.91 3dqe n SER 175 Ca 0.00 -0.63 -0.14 0.00 -1.33 0.00 0.00 58.87 56.77 3dqe n SER 175 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 3dqe n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqe s VAL 176 N -0.67 0.59 -0.34 2.46 -7.23 -1.26 -1.27 120.40 112.67 3dqe s VAL 176 Ca 0.00 -0.91 -0.06 0.00 -1.81 0.00 0.00 61.98 59.19 3dqe s VAL 176 Cb 0.00 -0.61 0.04 0.00 0.56 0.00 0.00 36.38 36.37 3dqe s VAL 176 CO 0.00 -0.24 0.11 -1.58 -0.31 0.00 0.00 175.10 173.08 3dqe s GLN 177 N -1.26 2.61 0.20 4.82 2.00 0.19 -4.89 119.66 123.32 3dqe s GLN 177 Ca -0.06 -1.20 -0.30 0.00 -2.00 0.00 0.00 55.36 51.79 3dqe s GLN 177 Cb -0.08 -3.47 -0.09 0.00 0.80 0.00 0.00 33.01 30.17 3dqe s GLN 177 CO 0.00 -0.68 1.35 -0.51 -0.50 0.00 0.00 175.29 174.95 3dqe s LEU 178 N 1.40 4.40 -0.28 3.68 1.43 -1.26 -0.80 118.68 127.25 3dqe s LEU 178 Ca -0.01 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.53 3dqe s LEU 178 Cb -0.20 -3.61 0.09 0.00 0.03 0.00 0.00 46.19 42.50 3dqe s LEU 178 CO 0.03 -0.58 0.04 0.00 0.23 0.00 0.00 176.35 176.07 3dqe s ALA 179 N 0.23 1.84 -0.33 4.21 0.00 0.61 -1.43 121.76 126.89 3dqe s ALA 179 Ca 0.58 -1.65 -0.23 0.00 0.00 0.00 0.00 51.96 50.66 3dqe s ALA 179 Cb -0.38 -1.59 0.00 0.00 0.00 0.00 0.00 23.12 21.16 3dqe s ALA 179 CO 0.38 -1.50 0.79 -0.51 0.00 0.00 0.00 175.76 174.92 3dqe s ASP 180 N 1.45 6.62 -0.22 0.00 1.11 -0.21 -1.01 116.67 124.41 3dqe s ASP 180 Ca 0.05 0.53 -0.11 0.00 0.18 0.00 0.00 52.55 53.20 3dqe s ASP 180 Cb -0.18 -2.41 -0.05 0.00 1.07 0.00 0.00 42.92 41.36 3dqe s ASP 180 CO -0.15 -0.68 0.18 -1.00 1.18 0.00 0.00 175.17 174.70 3dqe s HIS 181 N 3.05 3.36 -0.11 4.23 3.76 0.23 -0.78 115.29 129.02 3dqe s HIS 181 Ca 0.32 0.31 0.02 0.00 -0.15 0.00 0.00 55.06 55.56 3dqe s HIS 181 Cb -0.14 -2.26 -0.01 0.00 1.11 0.00 0.00 32.58 31.28 3dqe s HIS 181 CO 0.15 0.14 -0.18 0.71 -0.85 0.00 0.00 174.74 174.70 3dqe s TYR 182 N 0.84 2.69 0.00 1.40 1.51 0.41 -2.15 117.35 122.06 3dqe s TYR 182 Ca 0.09 -0.80 0.00 0.00 -1.01 0.00 0.00 57.07 55.35 3dqe s TYR 182 Cb -0.13 -1.78 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3dqe s TYR 182 CO 0.03 -0.29 -0.02 -1.14 -1.11 0.00 0.00 175.55 173.02 3dqe s GLN 183 N 0.31 0.14 -0.02 -0.62 0.74 -0.38 -0.77 119.66 119.06 3dqe s GLN 183 Ca -0.14 -0.12 0.03 0.00 0.05 0.00 0.00 55.36 55.19 3dqe s GLN 183 Cb -0.17 -0.10 -0.00 0.00 1.10 0.00 0.00 33.01 33.84 3dqe s GLN 183 CO 0.07 0.02 -0.11 -0.65 -0.55 0.00 0.00 175.29 174.08 3dqe s GLN 184 N -0.19 0.95 0.02 1.67 -0.21 -0.47 -1.09 119.66 120.34 3dqe s GLN 184 Ca -0.01 -0.37 0.06 0.00 0.02 0.00 0.00 55.36 55.06 3dqe s GLN 184 Cb -0.02 -0.90 -0.02 0.00 1.00 0.00 0.00 33.01 33.07 3dqe s GLN 184 CO -0.00 0.19 -0.18 -0.80 -2.12 0.00 0.00 175.29 172.38 3dqe s ASN 185 N -0.08 2.13 -0.06 5.90 -0.87 -0.57 -0.53 114.94 120.87 3dqe s ASN 185 Ca 0.01 -0.42 -0.06 0.00 -1.57 0.00 0.00 52.86 50.83 3dqe s ASN 185 Cb -0.06 -0.20 0.01 0.00 -0.02 0.00 0.00 41.25 40.99 3dqe s ASN 185 CO -0.00 0.16 0.16 0.42 -2.57 0.00 0.00 177.10 175.28 3dqe s THR 186 N -0.63 0.01 0.59 1.60 -4.23 -0.79 -1.85 115.64 110.34 3dqe s THR 186 Ca 0.06 -0.06 -0.18 0.00 -1.18 0.00 0.00 61.69 60.32 3dqe s THR 186 Cb -0.08 -0.26 -0.04 0.00 1.34 0.00 0.00 72.50 73.47 3dqe s THR 186 CO 0.01 -0.04 1.16 -2.16 -0.54 0.00 0.00 174.62 173.05 3dqe s PRO 187 N -0.05 3.07 -0.02 3.99 0.04 -1.26 -0.79 135.00 139.98 3dqe s PRO 187 Ca -0.01 1.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.57 3dqe s PRO 187 Cb -0.02 -1.96 -0.33 0.00 0.04 0.00 0.00 34.50 32.23 3dqe s PRO 187 CO 0.00 -1.09 0.82 0.82 0.04 0.00 0.00 177.00 177.59 3dqe h ILE 188 N 0.85 1.12 -4.17 0.56 2.04 -1.35 -3.44 117.51 113.12 3dqe h ILE 188 Ca -0.50 -2.59 -0.45 0.00 1.00 0.00 0.00 64.86 62.32 3dqe h ILE 188 Cb 1.28 2.91 0.14 0.00 -0.74 0.00 0.00 36.82 40.41 3dqe h ILE 188 CO 0.55 0.82 0.37 -0.83 0.00 0.00 0.00 178.15 179.07 3dqe s GLY 189 N -4.84 1.68 0.00 5.37 0.00 -1.26 -5.01 107.32 103.26 3dqe s GLY 189 Ca -0.13 -0.93 0.24 0.00 0.00 0.00 0.00 44.72 43.90 3dqe s GLY 189 CO 0.89 -0.25 1.25 1.34 0.00 0.00 0.00 173.10 176.33 3dqe n ASP 190 N -3.75 2.33 -4.87 1.64 2.03 -1.26 -4.99 116.55 107.69 3dqe n ASP 190 Ca 0.12 -1.68 -0.30 0.00 0.52 0.00 0.00 54.79 53.45 3dqe n ASP 190 Cb 0.60 0.21 0.07 0.00 -0.72 0.00 0.00 41.12 41.28 3dqe n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqe s GLY 191 N -2.24 1.62 0.75 0.27 0.00 -1.26 -5.04 107.32 101.42 3dqe s GLY 191 Ca 0.24 -0.38 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 3dqe s GLY 191 CO 0.43 0.03 1.15 2.56 0.00 0.00 0.00 173.10 177.28 3dqe s PRO 192 N -5.35 2.13 0.05 2.90 0.04 -1.26 -5.05 135.00 128.45 3dqe s PRO 192 Ca 0.60 1.51 -0.00 0.00 0.04 0.00 0.00 61.00 63.14 3dqe s PRO 192 Cb -0.12 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.53 3dqe s PRO 192 CO 0.52 -1.79 -0.04 0.14 0.04 0.00 0.00 177.00 175.87 3dqe s VAL 193 N -2.38 0.27 -0.24 -0.36 -7.23 -1.26 -4.80 120.40 104.40 3dqe s VAL 193 Ca 0.68 -1.60 -0.27 0.00 -1.81 0.00 0.00 61.98 58.98 3dqe s VAL 193 Cb -0.23 -1.23 0.00 0.00 0.56 0.00 0.00 36.38 35.48 3dqe s VAL 193 CO 0.49 -0.85 0.93 -0.76 -0.31 0.00 0.00 175.10 174.60 3dqe s LEU 194 N -2.57 4.09 -0.24 1.32 1.43 -1.26 -5.03 118.68 116.42 3dqe s LEU 194 Ca 0.02 1.19 -0.10 0.00 -1.03 0.00 0.00 54.13 54.22 3dqe s LEU 194 Cb 0.03 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.84 3dqe s LEU 194 CO -0.07 -0.60 0.14 -0.76 0.23 0.00 0.00 176.35 175.29 3dqe s LEU 195 N 3.03 3.97 0.29 1.79 1.43 -1.26 -3.85 118.68 124.08 3dqe s LEU 195 Ca 0.39 0.04 -0.08 0.00 -1.03 0.00 0.00 54.13 53.46 3dqe s LEU 195 Cb -0.15 -2.07 -0.06 0.00 0.03 0.00 0.00 46.19 43.94 3dqe s LEU 195 CO 0.07 0.04 0.60 -2.16 0.23 0.00 0.00 176.35 175.13 3dqe s PRO 196 N 1.20 3.72 0.75 1.29 0.04 -1.26 -4.93 135.00 135.81 3dqe s PRO 196 Ca 0.07 0.20 -0.15 0.00 0.04 0.00 0.00 61.00 61.15 3dqe s PRO 196 Cb -0.14 -2.59 0.02 0.00 0.04 0.00 0.00 34.50 31.83 3dqe s PRO 196 CO 0.05 0.19 0.96 -0.25 0.04 0.00 0.00 177.00 177.99 3dqe n ASP 197 N -0.75 0.35 -4.68 6.66 8.00 -1.26 -3.90 116.55 120.98 3dqe n ASP 197 Ca -0.00 0.63 -0.45 0.00 0.71 0.00 0.00 54.79 55.68 3dqe n ASP 197 Cb 0.53 -1.40 -0.03 0.00 -0.02 0.00 0.00 41.12 40.20 3dqe n ASP 197 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 3dqe n ASN 198 N -1.88 3.11 -1.90 -2.24 3.02 -1.26 -4.84 115.26 109.26 3dqe n ASN 198 Ca 0.13 1.11 -0.05 0.00 -0.03 0.00 0.00 54.58 55.73 3dqe n ASN 198 Cb 0.50 -1.45 0.01 0.00 -0.61 0.00 0.00 39.78 38.22 3dqe n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqe n HIS 199 N 2.83 -1.53 -4.22 3.10 1.44 -1.02 -4.77 115.22 111.05 3dqe n HIS 199 Ca 0.14 -0.97 -0.13 0.00 -2.01 0.00 0.00 57.72 54.75 3dqe n HIS 199 Cb 0.31 0.42 -0.10 0.00 0.12 0.00 0.00 29.99 30.74 3dqe n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqe s TYR 200 N -5.29 1.12 -0.14 -1.40 -0.85 -0.62 -0.34 117.35 109.83 3dqe s TYR 200 Ca 0.09 -0.89 -0.03 0.00 -0.52 0.00 0.00 57.07 55.71 3dqe s TYR 200 Cb -0.02 -0.62 -0.03 0.00 0.38 0.00 0.00 41.96 41.67 3dqe s TYR 200 CO 0.07 -0.09 -0.03 -0.51 -1.52 0.00 0.00 175.55 173.47 3dqe s LEU 201 N -3.13 3.34 -0.26 -3.49 1.43 0.32 -0.72 118.68 116.17 3dqe s LEU 201 Ca 0.17 -0.06 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 3dqe s LEU 201 Cb 0.05 -1.79 -0.03 0.00 0.03 0.00 0.00 46.19 44.44 3dqe s LEU 201 CO -0.00 0.22 0.43 -0.44 0.23 0.00 0.00 176.35 176.79 3dqe s SER 202 N 0.06 6.33 -0.10 2.29 0.01 0.93 -0.89 113.70 122.33 3dqe s SER 202 Ca 0.01 0.39 -0.01 0.00 1.31 0.00 0.00 55.95 57.65 3dqe s SER 202 Cb -0.13 -2.24 -0.03 0.00 0.21 0.00 0.00 66.02 63.83 3dqe s SER 202 CO 0.02 -0.22 -0.05 -0.31 0.41 0.00 0.00 173.24 173.09 3dqe s TYR 203 N 2.13 3.00 0.00 2.43 1.51 0.35 -1.99 117.35 124.79 3dqe s TYR 203 Ca 0.18 -0.07 0.07 0.00 -1.01 0.00 0.00 57.07 56.24 3dqe s TYR 203 Cb -0.16 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3dqe s TYR 203 CO 0.09 0.23 -0.22 -0.65 -1.11 0.00 0.00 175.55 173.89 3dqe s GLN 204 N -0.43 1.68 -0.01 -0.62 1.11 -0.59 -1.98 119.66 118.83 3dqe s GLN 204 Ca 0.07 -0.86 0.00 0.00 0.01 0.00 0.00 55.36 54.58 3dqe s GLN 204 Cb -0.12 -1.69 0.01 0.00 -1.01 0.00 0.00 33.01 30.19 3dqe s GLN 204 CO 0.02 0.45 -0.01 -1.12 0.01 0.00 0.00 175.29 174.65 3dqe s SER 205 N -0.76 0.22 -0.08 5.90 0.01 -1.26 -1.33 113.70 116.40 3dqe s SER 205 Ca 0.09 -0.02 0.01 0.00 1.31 0.00 0.00 55.95 57.33 3dqe s SER 205 Cb -0.09 -0.06 0.02 0.00 0.21 0.00 0.00 66.02 66.10 3dqe s SER 205 CO 0.00 -0.01 -0.10 0.00 0.41 0.00 0.00 173.24 173.54 3dqe s ALA 206 N 0.24 1.23 -0.13 1.44 0.00 0.42 -4.61 121.76 120.35 3dqe s ALA 206 Ca -0.02 -0.43 -0.04 0.00 0.00 0.00 0.00 51.96 51.47 3dqe s ALA 206 Cb -0.04 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.36 3dqe s ALA 206 CO -0.01 -0.11 0.02 -0.51 0.00 0.00 0.00 175.76 175.15 3dqe s LEU 207 N 1.11 3.65 0.00 0.00 1.43 -1.26 -1.30 118.68 122.31 3dqe s LEU 207 Ca -0.06 0.11 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3dqe s LEU 207 Cb -0.14 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 3dqe s LEU 207 CO -0.01 0.29 0.12 -1.54 0.23 0.00 0.00 176.35 175.44 3dqe n SER 208 N 2.75 -0.33 -4.19 2.29 3.41 -0.21 -4.94 113.62 112.40 3dqe n SER 208 Ca -0.18 -1.55 -0.20 0.00 -0.26 0.00 0.00 58.87 56.68 3dqe n SER 208 Cb 0.53 0.64 -0.12 0.00 -0.26 0.00 0.00 64.21 65.00 3dqe n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqe s LYS 209 N -2.26 0.93 -0.33 4.33 -0.14 -1.26 -1.55 119.74 119.46 3dqe s LYS 209 Ca 0.09 -0.96 -0.23 0.00 -1.36 0.00 0.00 55.97 53.51 3dqe s LYS 209 Cb -0.00 -1.01 0.00 0.00 -1.68 0.00 0.00 37.83 35.15 3dqe s LYS 209 CO 0.06 0.23 0.77 0.34 -0.76 0.00 0.00 175.35 176.00 3dqe s ASP 210 N -1.63 6.61 0.46 2.83 -1.08 -1.26 -4.95 116.67 117.65 3dqe s ASP 210 Ca 0.01 0.53 0.31 0.00 -0.52 0.00 0.00 52.55 52.89 3dqe s ASP 210 Cb -0.10 -2.40 1.43 0.00 -1.46 0.00 0.00 42.92 40.40 3dqe s ASP 210 CO 0.02 -0.64 1.94 1.55 0.52 0.00 0.00 175.17 178.56 3dqe h PRO 211 N 8.25 0.00 -0.28 4.34 0.13 -2.04 -1.56 132.00 140.84 3dqe h PRO 211 Ca -0.25 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 3dqe h PRO 211 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3dqe h PRO 211 CO 0.88 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.74 3dqe n ASN 212 N -2.75 2.41 -4.55 1.44 3.02 -1.26 -4.87 115.26 108.71 3dqe n ASN 212 Ca 0.00 -1.85 -0.38 0.00 -0.03 0.00 0.00 54.58 52.32 3dqe n ASN 212 Cb 0.21 -0.18 -0.11 0.00 -0.61 0.00 0.00 39.78 39.09 3dqe n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqe s GLU 213 N -1.63 3.83 0.20 3.52 2.56 -0.59 -4.95 118.70 121.64 3dqe s GLU 213 Ca 0.34 -0.39 0.23 0.00 0.00 0.00 0.00 54.97 55.15 3dqe s GLU 213 Cb 0.19 -3.59 0.08 0.00 2.00 0.00 0.00 34.13 32.80 3dqe s GLU 213 CO 0.27 -0.21 1.12 0.87 -0.56 0.00 0.00 175.26 176.76 3dqe h LYS 214 N 8.35 0.00 -7.60 4.30 1.79 -1.89 -3.47 116.57 118.05 3dqe h LYS 214 Ca -0.35 0.00 -0.47 0.00 -2.18 0.00 0.00 60.65 57.65 3dqe h LYS 214 Cb 1.18 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.93 3dqe h LYS 214 CO 0.56 0.00 0.40 1.03 -1.08 0.00 0.00 179.45 180.36 3dqe s ARG 215 N -3.32 1.94 -0.03 3.15 0.52 -1.26 -5.00 118.95 114.95 3dqe s ARG 215 Ca 0.01 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.07 3dqe s ARG 215 Cb 0.10 -1.94 -0.03 0.00 0.52 0.00 0.00 34.95 33.59 3dqe s ARG 215 CO 0.77 -1.62 1.14 0.34 0.02 0.00 0.00 175.30 175.95 3dqe s ASP 216 N -4.52 7.13 0.28 0.23 2.15 -1.26 -4.97 116.67 115.72 3dqe s ASP 216 Ca 0.62 1.79 -0.21 0.00 0.43 0.00 0.00 52.55 55.18 3dqe s ASP 216 Cb -0.11 -2.56 0.03 0.00 -0.30 0.00 0.00 42.92 39.97 3dqe s ASP 216 CO 0.50 -0.49 0.77 -1.38 -0.17 0.00 0.00 175.17 174.39 3dqe s HIS 217 N 1.76 -0.13 -0.09 -5.34 -3.43 -1.26 -0.77 115.29 106.03 3dqe s HIS 217 Ca 0.55 -0.34 -0.06 0.00 -0.80 0.00 0.00 55.06 54.41 3dqe s HIS 217 Cb -0.24 0.72 0.04 0.00 -1.43 0.00 0.00 32.58 31.67 3dqe s HIS 217 CO 0.24 -1.23 0.22 1.41 -2.00 0.00 0.00 174.74 173.37 3dqe s MET 218 N -3.57 0.20 -0.21 -0.38 1.75 -0.29 -4.98 119.30 111.82 3dqe s MET 218 Ca 0.12 0.44 -0.08 0.00 -1.25 0.00 0.00 55.69 54.92 3dqe s MET 218 Cb -0.05 -0.06 -0.04 0.00 2.84 0.00 0.00 34.83 37.52 3dqe s MET 218 CO 0.07 -0.12 0.08 0.08 -0.65 0.00 0.00 175.02 174.48 3dqe s VAL 219 N 0.91 4.78 -0.07 10.11 1.01 -0.60 -0.04 120.40 136.50 3dqe s VAL 219 Ca -0.07 -0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.92 3dqe s VAL 219 Cb -0.08 -3.18 0.01 0.00 0.00 0.00 0.00 36.38 33.12 3dqe s VAL 219 CO -0.06 0.41 -0.17 -0.22 0.00 0.00 0.00 175.10 175.07 3dqe s LEU 220 N 0.75 1.83 -0.11 3.92 2.96 0.10 -1.04 118.68 127.10 3dqe s LEU 220 Ca 0.04 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.58 3dqe s LEU 220 Cb -0.13 -1.05 0.01 0.00 0.50 0.00 0.00 46.19 45.52 3dqe s LEU 220 CO 0.02 0.09 -0.19 -0.22 -1.32 0.00 0.00 176.35 174.74 3dqe s LEU 221 N 0.47 1.90 -0.01 -0.68 2.96 -0.42 -0.98 118.68 121.92 3dqe s LEU 221 Ca -0.15 -0.49 0.02 0.00 -0.22 0.00 0.00 54.13 53.29 3dqe s LEU 221 Cb -0.16 -1.23 0.00 0.00 0.50 0.00 0.00 46.19 45.31 3dqe s LEU 221 CO 0.05 0.07 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.49 3dqe s GLU 222 N 0.74 0.58 -0.03 1.98 2.02 -0.66 -0.44 118.70 122.90 3dqe s GLU 222 Ca -0.11 -0.19 0.06 0.00 0.02 0.00 0.00 54.97 54.75 3dqe s GLU 222 Cb -0.16 -0.58 -0.01 0.00 0.10 0.00 0.00 34.13 33.48 3dqe s GLU 222 CO 0.02 0.08 -0.21 -0.06 0.02 0.00 0.00 175.26 175.11 3dqe s PHE 223 N 0.14 1.91 -0.03 1.61 0.08 -0.44 -0.90 117.98 120.34 3dqe s PHE 223 Ca -0.01 -0.43 -0.01 0.00 0.12 0.00 0.00 56.93 56.59 3dqe s PHE 223 Cb -0.06 -1.24 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3dqe s PHE 223 CO -0.00 -0.09 0.05 0.08 -0.10 0.00 0.00 175.22 175.16 3dqe s VAL 224 N -0.32 -0.07 -0.03 -0.44 1.01 0.59 -1.54 120.40 119.60 3dqe s VAL 224 Ca 0.04 0.25 -0.00 0.00 0.00 0.00 0.00 61.98 62.27 3dqe s VAL 224 Cb -0.10 -0.11 0.03 0.00 0.00 0.00 0.00 36.38 36.20 3dqe s VAL 224 CO 0.00 0.10 0.01 -0.89 0.00 0.00 0.00 175.10 174.33 3dqe s THR 225 N 1.29 0.10 0.34 3.92 2.01 -0.84 -0.68 115.64 121.78 3dqe s THR 225 Ca -0.07 0.16 -0.26 0.00 0.31 0.00 0.00 61.69 61.83 3dqe s THR 225 Cb -0.13 -0.23 -0.09 0.00 0.01 0.00 0.00 72.50 72.06 3dqe s THR 225 CO -0.03 0.14 1.04 0.00 -0.69 0.00 0.00 174.62 175.08 3dqe s ALA 226 N 1.23 3.22 0.35 7.40 0.00 -0.13 -0.05 121.76 133.77 3dqe s ALA 226 Ca -0.07 0.73 -0.04 0.00 0.00 0.00 0.00 51.96 52.58 3dqe s ALA 226 Cb -0.13 -3.27 0.02 0.00 0.00 0.00 0.00 23.12 19.73 3dqe s ALA 226 CO -0.02 -0.11 0.52 0.00 0.00 0.00 0.00 175.76 176.15 3dqe n ALA 227 N 0.53 -0.58 0.00 0.00 0.00 0.10 -4.53 120.51 116.03 3dqe n ALA 227 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3dqe n ALA 227 Cb 0.48 1.20 0.00 0.00 0.00 0.00 0.00 19.45 21.13 3dqe n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dqe n GLY 228 N -0.55 0.88 2.84 0.00 0.00 -1.26 -1.59 105.19 105.51 3dqe n GLY 228 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 3dqe n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqe s ILE 229 N -2.00 1.63 -2.00 -0.61 1.01 -1.26 -4.81 121.20 113.16 3dqe s ILE 229 Ca 0.00 -2.18 0.31 0.00 0.00 0.00 0.00 60.65 58.79 3dqe s ILE 229 Cb 0.00 -2.19 0.90 0.00 0.01 0.00 0.00 42.46 41.18 3dqe s ILE 229 CO 0.00 -0.72 2.20 0.35 0.00 0.00 0.00 174.94 176.78