#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqi h PRO -1 N 0.00 0.00 0.80 -0.67 0.13 -2.06 -0.91 132.00 129.28 3dqi h PRO -1 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3dqi h PRO -1 Cb 0.00 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.13 3dqi h PRO -1 CO 0.00 0.00 -0.47 1.98 -0.23 0.00 0.00 178.00 179.28 3dqi h MET 0 N 0.00 -1.13 -0.89 0.86 1.85 -2.03 -2.34 114.93 111.24 3dqi h MET 0 Ca 0.15 0.08 0.21 0.00 -0.61 0.00 0.00 59.70 59.53 3dqi h MET 0 Cb 0.68 0.26 -0.12 0.00 0.43 0.00 0.00 31.60 32.85 3dqi h MET 0 CO -0.00 -0.76 0.40 0.28 -0.40 0.00 0.00 176.91 176.43 3dqi h VAL 1 N -1.18 0.50 -0.66 -5.77 2.07 -1.80 -1.37 116.25 108.04 3dqi h VAL 1 Ca -0.11 -0.14 0.09 0.00 0.82 0.00 0.00 66.70 67.36 3dqi h VAL 1 Cb 0.93 0.04 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3dqi h VAL 1 CO 0.13 0.08 0.30 -1.28 0.02 0.00 0.00 177.57 176.82 3dqi h SER 2 N 0.42 0.38 -0.84 0.57 0.87 -1.12 -2.37 113.55 111.45 3dqi h SER 2 Ca 0.55 0.06 0.03 0.00 -1.23 0.00 0.00 61.79 61.21 3dqi h SER 2 Cb 1.03 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.94 3dqi h SER 2 CO -0.51 0.22 0.54 0.50 -0.53 0.00 0.00 176.83 177.05 3dqi h LYS 3 N 0.53 1.03 -0.07 2.24 3.64 -0.68 0.86 116.57 124.13 3dqi h LYS 3 Ca 0.32 -0.06 -0.19 0.00 -1.27 0.00 0.00 60.65 59.45 3dqi h LYS 3 Cb 0.35 -0.23 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 3dqi h LYS 3 CO -0.27 0.68 -0.77 0.78 -2.27 0.00 0.00 179.45 177.60 3dqi h GLY 4 N 1.06 0.47 0.99 5.01 0.00 -1.55 -3.04 103.07 106.02 3dqi h GLY 4 Ca 0.33 -0.70 0.00 0.00 0.00 0.00 0.00 47.33 46.97 3dqi h GLY 4 CO -0.11 0.62 0.20 0.83 0.00 0.00 0.00 176.54 178.07 3dqi h GLU 5 N 0.28 0.39 0.00 4.80 5.08 -0.89 -2.06 114.58 122.19 3dqi h GLU 5 Ca -0.04 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 3dqi h GLU 5 Cb 1.36 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.52 3dqi h GLU 5 CO 0.13 0.26 0.00 0.93 -1.00 0.00 0.00 179.01 179.33 3dqi h GLU 6 N 0.40 0.00 0.04 2.33 5.08 -0.82 -2.45 114.58 119.16 3dqi h GLU 6 Ca 0.11 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.16 3dqi h GLU 6 Cb -0.04 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3dqi h GLU 6 CO -0.03 0.00 -1.73 -0.07 -1.00 0.00 0.00 179.01 176.18 3dqi h LEU 7 N 0.00 0.14 -2.96 1.33 3.38 -1.35 -3.41 115.31 112.45 3dqi h LEU 7 Ca 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3dqi h LEU 7 Cb 0.27 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 40.97 3dqi h LEU 7 CO 0.00 1.26 0.00 0.49 0.09 0.00 0.00 178.44 180.28 3dqi n PHE 8 N -3.21 0.52 0.11 1.13 3.01 -0.81 -4.83 117.46 113.38 3dqi n PHE 8 Ca -0.20 -0.57 -0.00 0.00 1.01 0.00 0.00 57.45 57.69 3dqi n PHE 8 Cb 1.04 -0.08 0.29 0.00 -0.01 0.00 0.00 39.48 40.73 3dqi n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqi h THR 9 N 1.85 1.26 -1.94 4.37 1.35 -1.69 -3.37 112.91 114.74 3dqi h THR 9 Ca 0.00 -1.23 0.00 0.00 -0.55 0.00 0.00 66.41 64.63 3dqi h THR 9 Cb 0.84 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.77 3dqi h THR 9 CO 0.04 0.37 0.00 0.61 -0.25 0.00 0.00 175.52 176.29 3dqi n GLY 10 N -0.46 5.49 3.67 5.82 0.00 -1.26 -4.73 105.19 113.72 3dqi n GLY 10 Ca -0.01 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 43.67 3dqi n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqi s VAL 11 N 1.73 4.86 -0.19 1.61 1.01 -1.26 -4.45 120.40 123.71 3dqi s VAL 11 Ca 0.00 1.70 -0.04 0.00 0.00 0.00 0.00 61.98 63.64 3dqi s VAL 11 Cb 0.00 -4.16 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 3dqi s VAL 11 CO 0.00 0.02 -0.04 -0.69 0.00 0.00 0.00 175.10 174.39 3dqi s VAL 12 N 2.14 3.58 0.56 2.92 1.01 0.77 -4.95 120.40 126.42 3dqi s VAL 12 Ca 0.40 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 3dqi s VAL 12 Cb -0.17 -2.60 -0.05 0.00 0.00 0.00 0.00 36.38 33.56 3dqi s VAL 12 CO 0.13 0.44 1.22 -2.16 0.00 0.00 0.00 175.10 174.73 3dqi s PRO 13 N 1.06 3.18 0.03 2.72 0.04 -1.26 -0.60 135.00 140.16 3dqi s PRO 13 Ca 0.01 1.87 0.06 0.00 0.04 0.00 0.00 61.00 62.98 3dqi s PRO 13 Cb -0.15 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.29 3dqi s PRO 13 CO 0.00 -1.05 -0.16 0.42 0.04 0.00 0.00 177.00 176.25 3dqi s ILE 14 N -1.55 1.30 -0.04 0.56 1.01 0.13 -1.56 121.20 121.05 3dqi s ILE 14 Ca 0.73 -0.98 0.03 0.00 0.00 0.00 0.00 60.65 60.44 3dqi s ILE 14 Cb -0.31 -1.14 0.00 0.00 0.01 0.00 0.00 42.46 41.02 3dqi s ILE 14 CO 0.35 0.14 -0.13 -0.22 0.00 0.00 0.00 174.94 175.09 3dqi s LEU 15 N -0.96 1.83 -0.02 2.97 2.96 -0.69 -2.26 118.68 122.52 3dqi s LEU 15 Ca 0.04 -0.27 0.06 0.00 -0.22 0.00 0.00 54.13 53.74 3dqi s LEU 15 Cb -0.08 -0.77 -0.01 0.00 0.50 0.00 0.00 46.19 45.83 3dqi s LEU 15 CO 0.01 0.10 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.26 3dqi s VAL 16 N 0.15 1.55 -0.04 1.68 1.01 0.16 -1.62 120.40 123.30 3dqi s VAL 16 Ca -0.04 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3dqi s VAL 16 Cb -0.10 -1.29 0.03 0.00 0.00 0.00 0.00 36.38 35.02 3dqi s VAL 16 CO 0.01 0.44 0.02 -1.61 0.00 0.00 0.00 175.10 173.96 3dqi s GLU 17 N -0.45 0.23 -0.05 2.72 0.41 -0.69 -0.04 118.70 120.83 3dqi s GLU 17 Ca 0.07 0.16 0.02 0.00 -0.41 0.00 0.00 54.97 54.81 3dqi s GLU 17 Cb -0.08 -0.53 0.01 0.00 -1.78 0.00 0.00 34.13 31.75 3dqi s GLU 17 CO -0.01 -0.21 -0.08 -1.17 -0.49 0.00 0.00 175.26 173.30 3dqi s LEU 18 N 1.41 1.56 -0.21 1.80 0.20 0.14 -0.24 118.68 123.34 3dqi s LEU 18 Ca -0.04 -0.20 -0.05 0.00 0.69 0.00 0.00 54.13 54.52 3dqi s LEU 18 Cb -0.13 -0.61 -0.02 0.00 -0.43 0.00 0.00 46.19 45.00 3dqi s LEU 18 CO -0.03 0.01 -0.00 -1.81 -0.29 0.00 0.00 176.35 174.23 3dqi s ASP 19 N 0.64 4.78 0.11 3.68 1.01 -0.75 -0.63 116.67 125.51 3dqi s ASP 19 Ca -0.11 -0.23 0.10 0.00 0.71 0.00 0.00 52.55 53.03 3dqi s ASP 19 Cb -0.14 -1.82 -0.04 0.00 1.01 0.00 0.00 42.92 41.94 3dqi s ASP 19 CO 0.02 0.05 -0.26 -0.83 0.21 0.00 0.00 175.17 174.35 3dqi s GLY 20 N 1.10 1.49 -0.19 0.21 0.00 0.38 -1.42 107.32 108.89 3dqi s GLY 20 Ca 0.02 -1.39 -0.04 0.00 0.00 0.00 0.00 44.72 43.31 3dqi s GLY 20 CO 0.01 -1.36 0.22 -0.35 0.00 0.00 0.00 173.10 171.62 3dqi s ASP 21 N -1.88 1.29 -0.23 1.64 -1.08 -0.75 -1.10 116.67 114.56 3dqi s ASP 21 Ca 0.12 -0.15 0.00 0.00 -0.52 0.00 0.00 52.55 52.01 3dqi s ASP 21 Cb -0.10 0.39 0.03 0.00 -1.46 0.00 0.00 42.92 41.78 3dqi s ASP 21 CO 0.05 -0.32 -0.11 -0.69 0.52 0.00 0.00 175.17 174.62 3dqi s VAL 22 N 2.33 2.47 -1.34 1.11 1.01 -0.61 0.05 120.40 125.43 3dqi s VAL 22 Ca 0.06 -1.13 -0.09 0.00 0.00 0.00 0.00 61.98 60.83 3dqi s VAL 22 Cb -0.15 -2.24 0.06 0.00 0.00 0.00 0.00 36.38 34.06 3dqi s VAL 22 CO -0.11 0.26 0.53 0.59 0.00 0.00 0.00 175.10 176.36 3dqi n ASN 23 N 4.60 -4.08 0.00 3.32 4.13 -0.11 -0.94 115.26 122.19 3dqi n ASN 23 Ca -0.17 -0.40 0.00 0.00 1.68 0.00 0.00 54.58 55.69 3dqi n ASN 23 Cb 0.47 -3.36 0.00 0.00 -1.54 0.00 0.00 39.78 35.35 3dqi n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqi n GLY 24 N -1.24 0.43 3.56 7.41 0.00 -1.26 -4.98 105.19 109.10 3dqi n GLY 24 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 3dqi n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqi s HIS 25 N -2.08 2.59 0.21 1.61 3.76 -0.12 -5.04 115.29 116.23 3dqi s HIS 25 Ca 0.00 0.21 -0.15 0.00 -0.15 0.00 0.00 55.06 54.97 3dqi s HIS 25 Cb 0.00 -4.43 -0.08 0.00 1.11 0.00 0.00 32.58 29.18 3dqi s HIS 25 CO 0.00 -1.62 0.63 0.15 -0.85 0.00 0.00 174.74 173.05 3dqi s LYS 26 N 4.84 4.02 0.02 1.40 1.02 -1.26 -1.57 119.74 128.20 3dqi s LYS 26 Ca 0.38 0.58 -0.28 0.00 0.02 0.00 0.00 55.97 56.68 3dqi s LYS 26 Cb -0.09 -2.78 0.10 0.00 -0.52 0.00 0.00 37.83 34.54 3dqi s LYS 26 CO 0.22 0.37 0.85 -0.59 -0.92 0.00 0.00 175.35 175.28 3dqi s PHE 27 N -1.63 -0.38 -0.04 3.18 -0.71 -0.26 -4.91 117.98 113.24 3dqi s PHE 27 Ca 0.44 0.24 0.02 0.00 -1.04 0.00 0.00 56.93 56.59 3dqi s PHE 27 Cb -0.14 0.54 0.01 0.00 -1.21 0.00 0.00 43.02 42.22 3dqi s PHE 27 CO 0.20 -0.59 -0.08 -1.12 -1.34 0.00 0.00 175.22 172.29 3dqi s SER 28 N -2.49 1.20 -0.05 1.98 0.01 -1.26 0.14 113.70 113.24 3dqi s SER 28 Ca 0.04 -0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.15 3dqi s SER 28 Cb -0.01 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.79 3dqi s SER 28 CO -0.09 0.03 -0.15 -0.69 0.41 0.00 0.00 173.24 172.75 3dqi s VAL 29 N 0.46 1.26 -0.13 3.43 1.01 0.20 -1.26 120.40 125.37 3dqi s VAL 29 Ca -0.07 -0.61 -0.04 0.00 0.00 0.00 0.00 61.98 61.26 3dqi s VAL 29 Cb -0.11 -1.10 -0.03 0.00 0.00 0.00 0.00 36.38 35.13 3dqi s VAL 29 CO 0.01 0.37 0.01 -0.44 0.00 0.00 0.00 175.10 175.05 3dqi s SER 30 N 0.21 5.25 0.07 3.32 0.01 -0.61 -0.69 113.70 121.26 3dqi s SER 30 Ca -0.07 0.06 0.08 0.00 1.31 0.00 0.00 55.95 57.33 3dqi s SER 30 Cb -0.12 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.37 3dqi s SER 30 CO 0.02 0.27 -0.21 -0.83 0.41 0.00 0.00 173.24 172.90 3dqi s GLY 31 N -0.21 1.20 0.04 3.44 0.00 0.94 -0.95 107.32 111.78 3dqi s GLY 31 Ca 0.06 -1.15 0.02 0.00 0.00 0.00 0.00 44.72 43.65 3dqi s GLY 31 CO 0.02 -1.10 -0.08 -0.54 0.00 0.00 0.00 173.10 171.40 3dqi s GLU 32 N -1.46 0.56 0.00 2.90 2.02 -0.78 0.38 118.70 122.32 3dqi s GLU 32 Ca 0.08 -0.76 0.00 0.00 0.02 0.00 0.00 54.97 54.31 3dqi s GLU 32 Cb -0.09 -0.35 0.00 0.00 0.10 0.00 0.00 34.13 33.78 3dqi s GLU 32 CO 0.03 0.07 0.00 0.41 0.02 0.00 0.00 175.26 175.78 3dqi n GLY 33 N 1.50 -0.67 3.49 -1.39 0.00 -0.96 -0.28 105.19 106.89 3dqi n GLY 33 Ca -0.22 -0.36 -0.16 0.00 0.00 0.00 0.00 46.02 45.29 3dqi n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqi s GLU 34 N -1.29 0.87 0.18 1.61 -1.05 -0.28 0.18 118.70 118.92 3dqi s GLU 34 Ca 0.00 0.47 0.11 0.00 -0.15 0.00 0.00 54.97 55.40 3dqi s GLU 34 Cb 0.00 0.41 -0.04 0.00 -0.44 0.00 0.00 34.13 34.06 3dqi s GLU 34 CO 0.00 -0.21 -0.23 0.20 0.95 0.00 0.00 175.26 175.98 3dqi s GLY 35 N -0.55 1.62 -0.40 -3.83 0.00 0.23 -1.77 107.32 102.62 3dqi s GLY 35 Ca -0.07 -1.59 0.01 0.00 0.00 0.00 0.00 44.72 43.08 3dqi s GLY 35 CO 0.05 -1.62 0.25 -0.35 0.00 0.00 0.00 173.10 171.43 3dqi s ASP 36 N -2.62 3.06 0.54 1.64 -1.08 0.02 -0.17 116.67 118.06 3dqi s ASP 36 Ca 0.19 -2.53 0.35 0.00 -0.52 0.00 0.00 52.55 50.05 3dqi s ASP 36 Cb -0.08 -0.67 1.70 0.00 -1.46 0.00 0.00 42.92 42.41 3dqi s ASP 36 CO 0.09 -0.27 2.07 0.00 0.52 0.00 0.00 175.17 177.58 3dqi h ALA 37 N 6.66 1.00 -1.00 3.66 0.00 -1.74 -1.26 119.26 126.58 3dqi h ALA 37 Ca 0.07 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.10 3dqi h ALA 37 Cb 0.94 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.64 3dqi h ALA 37 CO 0.37 0.00 0.62 1.15 0.00 0.00 0.00 179.25 181.40 3dqi h THR 38 N 0.00 0.92 -0.40 0.00 2.02 -1.85 -2.29 112.91 111.32 3dqi h THR 38 Ca 0.00 -0.34 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3dqi h THR 38 Cb 0.25 -0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.51 3dqi h THR 38 CO 0.00 0.18 0.00 -1.22 0.37 0.00 0.00 175.52 174.85 3dqi n TYR 39 N -4.63 0.51 -2.35 3.16 4.01 -0.78 -4.90 117.16 112.18 3dqi n TYR 39 Ca 0.19 -0.30 -0.18 0.00 -0.16 0.00 0.00 57.90 57.45 3dqi n TYR 39 Cb 0.35 -0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.37 3dqi n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqi n GLY 40 N 1.30 -0.36 3.43 2.72 0.00 -0.86 -4.70 105.19 106.72 3dqi n GLY 40 Ca 0.18 -0.14 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3dqi n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqi s LYS 41 N -4.90 3.52 0.01 1.61 2.20 -0.55 -0.27 119.74 121.36 3dqi s LYS 41 Ca 0.01 -0.60 0.06 0.00 -0.36 0.00 0.00 55.97 55.07 3dqi s LYS 41 Cb -0.00 -2.77 -0.02 0.00 -1.51 0.00 0.00 37.83 33.52 3dqi s LYS 41 CO 0.01 0.22 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.53 3dqi s LEU 42 N 0.37 2.09 -0.15 5.43 1.02 -0.17 -0.80 118.68 126.47 3dqi s LEU 42 Ca -0.07 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 53.68 3dqi s LEU 42 Cb -0.15 -0.90 0.03 0.00 0.02 0.00 0.00 46.19 45.20 3dqi s LEU 42 CO 0.04 0.18 -0.09 -0.89 0.02 0.00 0.00 176.35 175.62 3dqi s THR 43 N -0.58 1.27 0.01 5.49 2.01 -0.73 -1.67 115.64 121.45 3dqi s THR 43 Ca 0.06 -0.59 0.00 0.00 0.31 0.00 0.00 61.69 61.48 3dqi s THR 43 Cb -0.08 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 3dqi s THR 43 CO 0.00 0.28 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.42 3dqi s LEU 44 N 1.58 2.15 -0.09 4.42 1.43 -0.43 -1.13 118.68 126.62 3dqi s LEU 44 Ca 0.03 -0.32 0.03 0.00 -1.03 0.00 0.00 54.13 52.84 3dqi s LEU 44 Cb -0.14 -0.00 0.01 0.00 0.03 0.00 0.00 46.19 46.09 3dqi s LEU 44 CO -0.09 -0.16 -0.18 -0.75 0.23 0.00 0.00 176.35 175.40 3dqi s LYS 45 N -0.91 2.41 -0.03 1.70 2.20 0.62 -0.66 119.74 125.06 3dqi s LYS 45 Ca -0.09 -0.65 0.04 0.00 -0.36 0.00 0.00 55.97 54.91 3dqi s LYS 45 Cb -0.06 -1.90 -0.03 0.00 -1.51 0.00 0.00 37.83 34.32 3dqi s LYS 45 CO -0.00 0.07 -0.13 -0.06 -0.36 0.00 0.00 175.35 174.87 3dqi s PHE 46 N 0.59 2.73 -0.06 4.03 0.08 0.13 -1.87 117.98 123.62 3dqi s PHE 46 Ca -0.15 -0.14 0.02 0.00 0.12 0.00 0.00 56.93 56.79 3dqi s PHE 46 Cb -0.17 -1.61 0.01 0.00 -0.57 0.00 0.00 43.02 40.69 3dqi s PHE 46 CO 0.05 0.24 -0.11 0.42 -0.10 0.00 0.00 175.22 175.72 3dqi s ILE 47 N -0.81 1.01 -0.41 0.64 1.01 -0.12 -0.56 121.20 121.96 3dqi s ILE 47 Ca 0.13 -0.41 -0.29 0.00 0.00 0.00 0.00 60.65 60.08 3dqi s ILE 47 Cb -0.11 -0.94 0.02 0.00 0.01 0.00 0.00 42.46 41.45 3dqi s ILE 47 CO 0.02 0.33 1.20 0.00 0.00 0.00 0.00 174.94 176.49 3dqi n THR 49 N 6.60 0.00 -0.37 0.00 -2.24 -0.39 -3.72 114.28 114.16 3dqi n THR 49 Ca 0.13 -0.07 0.09 0.00 -2.27 0.00 0.00 64.05 61.93 3dqi n THR 49 Cb 0.48 0.21 0.27 0.00 -2.10 0.00 0.00 70.33 69.19 3dqi n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqi n THR 50 N -0.98 1.18 0.00 4.28 -2.24 -1.25 -5.02 114.28 110.25 3dqi n THR 50 Ca 0.11 -1.06 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 3dqi n THR 50 Cb 0.33 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.97 3dqi n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqi n GLY 51 N 1.12 0.47 3.73 3.38 0.00 -1.24 -4.99 105.19 107.67 3dqi n GLY 51 Ca 0.20 -1.52 -0.41 0.00 0.00 0.00 0.00 46.02 44.29 3dqi n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqi s LYS 52 N 0.00 4.60 -0.04 1.61 2.20 -1.26 -4.40 119.74 122.44 3dqi s LYS 52 Ca 0.00 1.68 -0.30 0.00 -0.36 0.00 0.00 55.97 56.99 3dqi s LYS 52 Cb 0.00 -3.30 -0.03 0.00 -1.51 0.00 0.00 37.83 32.99 3dqi s LYS 52 CO 0.00 0.08 1.12 -1.17 -0.36 0.00 0.00 175.35 175.02 3dqi s LEU 53 N -0.22 4.30 0.00 5.43 2.96 -1.26 -4.93 118.68 124.95 3dqi s LEU 53 Ca 0.49 1.75 0.30 0.00 -0.22 0.00 0.00 54.13 56.46 3dqi s LEU 53 Cb -0.28 -3.56 1.72 0.00 0.50 0.00 0.00 46.19 44.56 3dqi s LEU 53 CO 0.34 -0.49 2.12 -0.81 -1.32 0.00 0.00 176.35 176.18 3dqi n PRO 54 N 4.79 1.09 -4.41 0.98 -0.04 -1.26 -4.78 135.00 131.37 3dqi n PRO 54 Ca 0.09 -0.12 -0.20 0.00 -0.04 0.00 0.00 63.50 63.23 3dqi n PRO 54 Cb 0.47 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.36 3dqi n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqi s VAL 55 N -2.00 1.61 0.17 0.52 -7.23 -1.26 -4.62 120.40 107.59 3dqi s VAL 55 Ca 0.45 -2.13 -0.31 0.00 -1.81 0.00 0.00 61.98 58.18 3dqi s VAL 55 Cb 0.21 -2.37 -0.09 0.00 0.56 0.00 0.00 36.38 34.69 3dqi s VAL 55 CO 0.35 -0.35 1.42 -2.84 -0.31 0.00 0.00 175.10 173.37 3dqi s PRO 56 N -3.72 4.30 0.32 4.82 0.02 -1.26 -4.93 135.00 134.55 3dqi s PRO 56 Ca 0.28 2.17 0.07 0.00 0.02 0.00 0.00 61.00 63.54 3dqi s PRO 56 Cb 0.03 -3.19 0.90 0.00 0.02 0.00 0.00 34.50 32.26 3dqi s PRO 56 CO 0.11 -0.43 1.60 -1.49 -0.33 0.00 0.00 177.00 176.46 3dqi h TRP 57 N 6.20 0.35 0.00 6.54 4.06 -1.95 -0.42 115.95 130.73 3dqi h TRP 57 Ca -0.43 0.06 -0.01 0.00 2.06 0.00 0.00 58.89 60.56 3dqi h TRP 57 Cb 1.21 0.01 -0.00 0.00 -1.00 0.00 0.00 29.16 29.37 3dqi h TRP 57 CO 0.64 -0.36 -0.03 -1.35 -3.56 0.00 0.00 178.44 173.78 3dqi h PRO 58 N 0.09 0.00 0.00 0.49 0.11 -1.90 -1.58 132.00 129.21 3dqi h PRO 58 Ca 0.65 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.76 3dqi h PRO 58 Cb 1.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.57 3dqi h PRO 58 CO -0.78 0.03 0.00 1.79 -0.21 0.00 0.00 178.00 178.83 3dqi h THR 59 N 0.00 0.00 -0.00 -1.15 1.35 -1.45 -2.82 112.91 108.83 3dqi h THR 59 Ca -0.00 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.59 3dqi h THR 59 Cb 0.05 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3dqi h THR 59 CO 0.00 0.00 -0.65 0.18 -0.25 0.00 0.00 175.52 174.81 3dqi n LEU 60 N -2.91 1.13 -0.06 3.87 4.77 -0.59 -4.63 117.00 118.58 3dqi n LEU 60 Ca -0.01 -0.41 -0.10 0.00 -0.03 0.00 0.00 56.01 55.46 3dqi n LEU 60 Cb 0.20 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 3dqi n LEU 60 CO 0.22 0.24 0.89 0.58 -1.33 0.00 0.00 177.39 178.00 3dqi h VAL 61 N 0.76 1.14 -0.78 4.08 2.07 -1.54 -0.28 116.25 121.70 3dqi h VAL 61 Ca 0.00 -0.39 0.03 0.00 0.82 0.00 0.00 66.70 67.16 3dqi h VAL 61 Cb 0.56 1.00 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 3dqi h VAL 61 CO 0.00 0.13 0.51 0.71 0.02 0.00 0.00 177.57 178.95 3dqi h THR 62 N 0.22 1.14 -0.12 2.57 1.35 -1.82 -2.79 112.91 113.46 3dqi h THR 62 Ca 0.07 -0.34 -0.07 0.00 -0.55 0.00 0.00 66.41 65.53 3dqi h THR 62 Cb 0.12 0.08 0.00 0.00 -1.73 0.00 0.00 68.15 66.61 3dqi h THR 62 CO -0.01 0.18 -0.21 0.74 -0.25 0.00 0.00 175.52 175.97 3dqi h THR 63 N 0.98 1.38 0.00 6.82 2.02 -1.70 -3.45 112.91 118.96 3dqi h THR 63 Ca 0.31 -1.47 -0.38 0.00 0.77 0.00 0.00 66.41 65.63 3dqi h THR 63 Cb 0.01 2.05 0.03 0.00 -1.74 0.00 0.00 68.15 68.51 3dqi h THR 63 CO -0.08 0.43 2.07 0.49 0.37 0.00 0.00 175.52 178.79 3dqi n PHE 64 N -4.50 1.05 0.00 3.16 3.72 -0.18 -5.06 117.46 115.65 3dqi n PHE 64 Ca -0.07 -1.46 0.00 0.00 -0.05 0.00 0.00 57.45 55.87 3dqi n PHE 64 Cb 0.42 -1.35 0.00 0.00 -0.94 0.00 0.00 39.48 37.60 3dqi n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqi n LEU 68 N 5.60 0.00 0.00 4.37 4.77 -1.26 -5.06 117.00 125.41 3dqi n LEU 68 Ca 0.36 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.44 3dqi n LEU 68 Cb 0.19 0.00 0.46 0.00 -2.33 0.00 0.00 43.42 41.74 3dqi n LEU 68 CO 0.78 0.00 0.83 0.23 -1.33 0.00 0.00 177.39 177.91 3dqi n MET 69 N 0.00 0.06 0.32 3.23 2.81 -1.26 -1.55 117.12 120.73 3dqi n MET 69 Ca 0.00 0.13 0.20 0.00 -1.81 0.00 0.00 57.70 56.22 3dqi n MET 69 Cb 0.00 -1.50 1.09 0.00 -0.71 0.00 0.00 33.22 32.10 3dqi n MET 69 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3dqi n PHE 71 N -3.27 0.17 -1.65 0.00 3.72 -0.59 -4.70 117.46 111.13 3dqi n PHE 71 Ca -0.03 -0.08 -0.43 0.00 -0.05 0.00 0.00 57.45 56.86 3dqi n PHE 71 Cb 0.10 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.63 3dqi n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqi n ALA 72 N 0.09 0.68 -2.60 4.37 0.00 -0.86 -4.08 120.51 118.11 3dqi n ALA 72 Ca 0.15 0.36 -0.43 0.00 0.00 0.00 0.00 53.44 53.52 3dqi n ALA 72 Cb 0.27 -2.16 -0.03 0.00 0.00 0.00 0.00 19.45 17.53 3dqi n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dqi s ARG 73 N -1.79 3.51 -0.25 0.00 3.52 0.24 -4.76 118.95 119.42 3dqi s ARG 73 Ca 0.57 0.16 -0.19 0.00 -0.13 0.00 0.00 55.73 56.14 3dqi s ARG 73 Cb -0.61 -3.98 -0.02 0.00 -1.56 0.00 0.00 34.95 28.77 3dqi s ARG 73 CO 0.61 -1.47 0.58 0.71 -0.81 0.00 0.00 175.30 174.91 3dqi s TYR 74 N 4.34 3.29 0.81 5.12 1.51 -1.26 -0.99 117.35 130.17 3dqi s TYR 74 Ca 0.39 0.75 -0.14 0.00 -1.01 0.00 0.00 57.07 57.07 3dqi s TYR 74 Cb -0.09 -2.78 0.03 0.00 -0.11 0.00 0.00 41.96 39.01 3dqi s TYR 74 CO 0.25 -0.28 0.79 -2.30 -1.11 0.00 0.00 175.55 172.90 3dqi n PRO 75 N 5.53 0.12 -0.21 -1.71 -0.02 -1.26 -4.70 135.00 132.75 3dqi n PRO 75 Ca -0.02 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 3dqi n PRO 75 Cb 0.49 -2.10 0.08 0.00 -0.02 0.00 0.00 33.50 31.96 3dqi n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqi h ASP 76 N -0.87 -0.43 0.00 2.55 3.58 -2.00 0.31 116.42 119.56 3dqi h ASP 76 Ca -0.45 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.17 3dqi h ASP 76 Cb 1.31 0.33 0.00 0.00 1.72 0.00 0.00 39.33 42.69 3dqi h ASP 76 CO 0.42 -0.17 0.06 0.00 -2.88 0.00 0.00 179.24 176.68 3dqi n HIS 77 N -5.36 0.63 0.13 0.28 1.44 -1.26 -2.49 115.22 108.59 3dqi n HIS 77 Ca 0.08 0.33 0.05 0.00 -2.01 0.00 0.00 57.72 56.17 3dqi n HIS 77 Cb 0.34 -0.98 0.08 0.00 0.12 0.00 0.00 29.99 29.56 3dqi n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqi n MET 78 N -2.16 1.53 -0.17 -1.40 2.81 0.11 -4.73 117.12 113.10 3dqi n MET 78 Ca -0.01 -1.49 0.22 0.00 -1.81 0.00 0.00 57.70 54.61 3dqi n MET 78 Cb 0.09 -1.20 0.60 0.00 -0.71 0.00 0.00 33.22 32.00 3dqi n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqi h LYS 79 N 1.77 0.22 0.00 0.03 1.79 -1.33 0.01 116.57 119.06 3dqi h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dqi h LYS 79 Cb 0.53 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3dqi h LYS 79 CO 0.00 0.14 0.00 1.04 -1.08 0.00 0.00 179.45 179.55 3dqi n GLN 80 N -4.42 0.40 -0.26 3.15 6.02 -1.26 -2.86 117.38 118.16 3dqi n GLN 80 Ca 0.17 0.06 0.07 0.00 -0.01 0.00 0.00 57.00 57.29 3dqi n GLN 80 Cb 0.74 -1.50 0.18 0.00 1.02 0.00 0.00 30.24 30.68 3dqi n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqi n HIS 81 N -1.15 0.56 -3.19 1.08 8.25 -0.01 -4.63 115.22 116.13 3dqi n HIS 81 Ca 0.11 -0.70 -0.45 0.00 -0.26 0.00 0.00 57.72 56.42 3dqi n HIS 81 Cb 0.10 -0.16 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 3dqi n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqi s ASP 82 N -1.57 7.11 0.24 0.41 -1.08 -1.14 -4.53 116.67 116.12 3dqi s ASP 82 Ca 0.29 -3.15 -0.05 0.00 -0.52 0.00 0.00 52.55 49.12 3dqi s ASP 82 Cb 0.21 -2.28 0.35 0.00 -1.46 0.00 0.00 42.92 39.74 3dqi s ASP 82 CO 0.10 -0.53 1.84 0.15 0.52 0.00 0.00 175.17 177.25 3dqi h PHE 83 N 7.17 0.96 -0.31 -5.34 3.57 -1.90 -2.82 116.94 118.26 3dqi h PHE 83 Ca 0.20 0.03 -0.03 0.00 3.53 0.00 0.00 57.97 61.70 3dqi h PHE 83 Cb 0.91 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 3dqi h PHE 83 CO 0.93 0.47 0.07 0.74 -2.23 0.00 0.00 178.31 178.29 3dqi h PHE 84 N 0.93 0.54 -0.20 0.41 0.04 -1.88 -1.38 116.94 115.41 3dqi h PHE 84 Ca 0.38 -0.07 -0.08 0.00 2.80 0.00 0.00 57.97 61.00 3dqi h PHE 84 Cb 0.21 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.20 3dqi h PHE 84 CO -0.04 0.57 -0.21 0.87 -0.60 0.00 0.00 178.31 178.90 3dqi h LYS 85 N 0.34 0.35 -0.45 1.51 1.57 -1.84 -3.20 116.57 114.85 3dqi h LYS 85 Ca 0.10 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 3dqi h LYS 85 Cb 0.32 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 3dqi h LYS 85 CO 0.00 0.55 0.11 0.66 -0.57 0.00 0.00 179.45 180.20 3dqi h SER 86 N 0.32 0.62 0.47 0.86 4.64 -1.01 -1.88 113.55 117.57 3dqi h SER 86 Ca 0.05 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.28 3dqi h SER 86 Cb 0.56 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.49 3dqi h SER 86 CO 0.04 0.62 0.00 0.00 -0.87 0.00 0.00 176.83 176.62 3dqi n ALA 87 N -2.47 1.48 -2.23 5.18 0.00 -0.78 -4.82 120.51 116.87 3dqi n ALA 87 Ca 0.03 0.08 -0.29 0.00 0.00 0.00 0.00 53.44 53.26 3dqi n ALA 87 Cb 0.20 -1.31 -0.02 0.00 0.00 0.00 0.00 19.45 18.33 3dqi n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqi s MET 88 N -3.28 3.66 0.04 0.00 1.00 -0.71 -0.63 119.30 119.39 3dqi s MET 88 Ca 0.03 0.34 0.27 0.00 0.00 0.00 0.00 55.69 56.33 3dqi s MET 88 Cb 0.08 -2.39 1.11 0.00 0.00 0.00 0.00 34.83 33.63 3dqi s MET 88 CO 0.29 -0.11 1.86 -0.35 0.00 0.00 0.00 175.02 176.71 3dqi n PRO 89 N -1.73 0.05 0.13 2.03 -0.04 -1.26 -4.86 135.00 129.32 3dqi n PRO 89 Ca 0.01 0.07 0.05 0.00 -0.04 0.00 0.00 63.50 63.59 3dqi n PRO 89 Cb 0.54 -1.56 0.51 0.00 -0.04 0.00 0.00 33.50 32.95 3dqi n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqi h GLU 90 N 0.00 0.26 0.00 0.54 3.07 -1.91 -3.14 114.58 113.40 3dqi h GLU 90 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3dqi h GLU 90 Cb 0.51 -0.06 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 3dqi h GLU 90 CO 0.00 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.24 3dqi n GLY 91 N -1.38 -1.98 3.19 -3.84 0.00 0.20 -4.68 105.19 96.69 3dqi n GLY 91 Ca -0.00 -2.09 -0.09 0.00 0.00 0.00 0.00 46.02 43.83 3dqi n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqi s TYR 92 N -0.20 0.69 -0.19 1.61 -0.85 0.27 -1.73 117.35 116.95 3dqi s TYR 92 Ca 0.00 -1.08 -0.13 0.00 -0.52 0.00 0.00 57.07 55.34 3dqi s TYR 92 Cb 0.00 -0.35 -0.05 0.00 0.38 0.00 0.00 41.96 41.94 3dqi s TYR 92 CO 0.00 -0.56 0.28 0.08 -1.52 0.00 0.00 175.55 173.83 3dqi s VAL 93 N -4.01 5.30 -0.29 -3.49 1.01 0.61 -0.27 120.40 119.27 3dqi s VAL 93 Ca 0.20 0.48 -0.04 0.00 0.00 0.00 0.00 61.98 62.62 3dqi s VAL 93 Cb 0.06 -3.62 0.03 0.00 0.00 0.00 0.00 36.38 32.85 3dqi s VAL 93 CO -0.00 0.35 0.03 -1.58 0.00 0.00 0.00 175.10 173.89 3dqi s GLN 94 N 0.79 2.83 0.01 2.72 0.74 0.08 -1.75 119.66 125.08 3dqi s GLN 94 Ca 0.15 -1.01 0.04 0.00 0.05 0.00 0.00 55.36 54.58 3dqi s GLN 94 Cb -0.13 -3.23 -0.03 0.00 1.10 0.00 0.00 33.01 30.71 3dqi s GLN 94 CO 0.04 -0.49 -0.08 -1.21 -0.55 0.00 0.00 175.29 173.00 3dqi s GLU 95 N 1.39 2.49 0.05 1.67 2.02 -0.34 -0.73 118.70 125.26 3dqi s GLU 95 Ca -0.00 -0.76 0.01 0.00 0.02 0.00 0.00 54.97 54.24 3dqi s GLU 95 Cb -0.18 -2.46 -0.03 0.00 0.10 0.00 0.00 34.13 31.56 3dqi s GLU 95 CO -0.00 0.59 -0.06 1.03 0.02 0.00 0.00 175.26 176.84 3dqi s ARG 96 N -1.45 0.58 -0.10 1.61 0.52 -0.42 -1.00 118.95 118.69 3dqi s ARG 96 Ca 0.17 -0.95 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 3dqi s ARG 96 Cb -0.11 -0.11 0.01 0.00 0.52 0.00 0.00 34.95 35.25 3dqi s ARG 96 CO 0.08 -0.01 -0.19 0.99 0.02 0.00 0.00 175.30 176.19 3dqi s THR 97 N -2.38 1.68 -0.28 0.02 2.01 -0.72 -0.92 115.64 115.05 3dqi s THR 97 Ca -0.03 -0.78 0.03 0.00 0.31 0.00 0.00 61.69 61.22 3dqi s THR 97 Cb -0.03 -1.49 0.07 0.00 0.01 0.00 0.00 72.50 71.05 3dqi s THR 97 CO -0.03 0.48 -0.07 -0.63 -0.69 0.00 0.00 174.62 173.67 3dqi s ILE 98 N 0.65 2.27 -0.39 1.82 1.01 -0.07 -0.58 121.20 125.92 3dqi s ILE 98 Ca -0.13 -1.72 -0.19 0.00 0.00 0.00 0.00 60.65 58.60 3dqi s ILE 98 Cb -0.16 -2.39 0.01 0.00 0.01 0.00 0.00 42.46 39.93 3dqi s ILE 98 CO 0.03 -0.13 0.58 -0.36 0.00 0.00 0.00 174.94 175.07 3dqi s PHE 99 N 1.08 3.13 -0.30 3.97 0.08 -0.25 -0.83 117.98 124.87 3dqi s PHE 99 Ca -0.06 0.08 -0.26 0.00 0.12 0.00 0.00 56.93 56.81 3dqi s PHE 99 Cb -0.20 -3.12 0.01 0.00 -0.57 0.00 0.00 43.02 39.14 3dqi s PHE 99 CO -0.05 -0.69 0.92 -0.06 -0.10 0.00 0.00 175.22 175.23 3dqi s PHE 100 N 2.59 3.20 -0.13 0.36 0.40 -0.31 -1.65 117.98 122.44 3dqi s PHE 100 Ca 0.21 1.03 -0.40 0.00 -0.60 0.00 0.00 56.93 57.16 3dqi s PHE 100 Cb -0.15 -3.39 -0.18 0.00 0.51 0.00 0.00 43.02 39.81 3dqi s PHE 100 CO 0.16 -0.62 1.40 1.17 0.70 0.00 0.00 175.22 178.02 3dqi n LYS 101 N 6.45 0.59 -2.13 0.44 3.00 -0.13 -1.24 118.16 125.14 3dqi n LYS 101 Ca 0.08 0.22 -0.20 0.00 -0.00 0.00 0.00 58.31 58.40 3dqi n LYS 101 Cb 0.47 -1.80 -0.03 0.00 0.00 0.00 0.00 35.03 33.67 3dqi n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dqi n ASP 102 N 3.13 -5.61 -0.14 3.14 8.00 -1.26 -4.82 116.55 119.00 3dqi n ASP 102 Ca 0.23 0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3dqi n ASP 102 Cb 0.10 -4.70 0.00 0.00 -0.02 0.00 0.00 41.12 36.49 3dqi n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqi n ASP 103 N -1.63 0.00 -3.25 -2.24 -0.08 -0.37 -4.94 116.55 104.04 3dqi n ASP 103 Ca -0.23 -0.14 -0.20 0.00 -1.51 0.00 0.00 54.79 52.72 3dqi n ASP 103 Cb 0.67 0.00 0.16 0.00 2.34 0.00 0.00 41.12 44.29 3dqi n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqi n GLY 104 N 0.00 -2.14 3.19 0.27 0.00 -1.17 -4.56 105.19 100.78 3dqi n GLY 104 Ca 0.00 -1.57 -0.20 0.00 0.00 0.00 0.00 46.02 44.25 3dqi n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqi s ASN 105 N -3.85 1.89 -0.10 1.61 2.20 -0.74 -1.16 114.94 114.79 3dqi s ASN 105 Ca 0.50 -0.59 -0.05 0.00 -0.94 0.00 0.00 52.86 51.77 3dqi s ASN 105 Cb -0.03 -0.09 -0.04 0.00 -2.00 0.00 0.00 41.25 39.09 3dqi s ASN 105 CO 0.37 -0.01 0.11 -0.31 -2.94 0.00 0.00 177.10 174.31 3dqi s TYR 106 N -1.14 3.49 -0.13 1.54 2.02 -0.01 -1.73 117.35 121.39 3dqi s TYR 106 Ca 0.01 0.43 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 3dqi s TYR 106 Cb -0.09 -1.89 0.01 0.00 -0.40 0.00 0.00 41.96 39.58 3dqi s TYR 106 CO 0.02 0.67 -0.22 0.15 -1.57 0.00 0.00 175.55 174.60 3dqi s LYS 107 N -1.11 2.96 -0.01 -0.62 1.02 0.59 -0.89 119.74 121.68 3dqi s LYS 107 Ca 0.16 -0.83 0.06 0.00 0.02 0.00 0.00 55.97 55.37 3dqi s LYS 107 Cb -0.12 -2.36 -0.02 0.00 -0.52 0.00 0.00 37.83 34.82 3dqi s LYS 107 CO 0.05 0.03 -0.19 0.95 -0.92 0.00 0.00 175.35 175.27 3dqi s THR 108 N 0.72 1.52 -0.13 2.17 -4.23 -0.10 -0.80 115.64 114.79 3dqi s THR 108 Ca -0.10 -0.85 0.00 0.00 -1.18 0.00 0.00 61.69 59.57 3dqi s THR 108 Cb -0.16 -1.26 0.02 0.00 1.34 0.00 0.00 72.50 72.44 3dqi s THR 108 CO 0.01 0.41 -0.11 -0.60 -0.54 0.00 0.00 174.62 173.78 3dqi s ARG 109 N -0.51 1.87 0.08 3.99 3.52 -0.61 -1.30 118.95 125.99 3dqi s ARG 109 Ca 0.07 -0.39 0.07 0.00 -0.13 0.00 0.00 55.73 55.35 3dqi s ARG 109 Cb -0.07 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.48 3dqi s ARG 109 CO -0.01 -0.24 -0.19 0.00 -0.81 0.00 0.00 175.30 174.06 3dqi s ALA 110 N 1.56 1.65 -0.21 6.12 0.00 0.09 -1.27 121.76 129.69 3dqi s ALA 110 Ca 0.04 -1.14 -0.01 0.00 0.00 0.00 0.00 51.96 50.85 3dqi s ALA 110 Cb -0.13 -0.24 0.02 0.00 0.00 0.00 0.00 23.12 22.77 3dqi s ALA 110 CO -0.09 0.33 -0.12 -1.21 0.00 0.00 0.00 175.76 174.67 3dqi s GLU 111 N -1.68 2.96 -0.22 0.00 2.02 -0.68 -0.75 118.70 120.35 3dqi s GLU 111 Ca 0.05 -0.87 -0.04 0.00 0.02 0.00 0.00 54.97 54.13 3dqi s GLU 111 Cb -0.10 -2.80 -0.00 0.00 0.10 0.00 0.00 34.13 31.33 3dqi s GLU 111 CO 0.03 -0.29 -0.05 0.08 0.02 0.00 0.00 175.26 175.05 3dqi s VAL 112 N 1.32 3.29 0.11 2.63 1.01 0.63 -1.52 120.40 127.87 3dqi s VAL 112 Ca 0.03 -0.55 -0.25 0.00 0.00 0.00 0.00 61.98 61.21 3dqi s VAL 112 Cb -0.15 -2.51 0.07 0.00 0.00 0.00 0.00 36.38 33.80 3dqi s VAL 112 CO -0.08 0.41 0.81 -1.59 0.00 0.00 0.00 175.10 174.65 3dqi s LYS 113 N 1.46 1.15 0.16 2.72 -2.85 -0.59 -0.56 119.74 121.23 3dqi s LYS 113 Ca 0.05 -0.52 -0.30 0.00 -1.00 0.00 0.00 55.97 54.21 3dqi s LYS 113 Cb -0.14 0.47 -0.07 0.00 -2.06 0.00 0.00 37.83 36.03 3dqi s LYS 113 CO -0.04 -0.52 0.99 -0.06 0.10 0.00 0.00 175.35 175.83 3dqi s PHE 114 N -3.43 3.79 -0.50 1.78 0.08 -1.19 0.03 117.98 118.54 3dqi s PHE 114 Ca 0.06 1.78 -0.01 0.00 0.12 0.00 0.00 56.93 58.88 3dqi s PHE 114 Cb -0.02 -3.10 0.13 0.00 -0.57 0.00 0.00 43.02 39.47 3dqi s PHE 114 CO -0.05 0.06 0.29 -1.21 -0.10 0.00 0.00 175.22 174.20 3dqi s GLU 115 N -0.36 2.18 7.97 0.44 0.41 0.64 -4.92 118.70 125.06 3dqi s GLU 115 Ca 0.46 -2.20 0.00 0.00 -0.41 0.00 0.00 54.97 52.83 3dqi s GLU 115 Cb -0.25 -3.58 0.00 0.00 -1.78 0.00 0.00 34.13 28.51 3dqi s GLU 115 CO 0.32 -1.11 0.00 0.41 -0.49 0.00 0.00 175.26 174.39 3dqi n GLY 116 N 3.96 4.01 0.22 -1.39 0.00 -1.26 -1.84 105.19 108.89 3dqi n GLY 116 Ca 0.03 0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.23 3dqi n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqi n ASP 117 N 7.49 0.78 -4.72 1.61 8.00 -1.26 -4.85 116.55 123.59 3dqi n ASP 117 Ca 0.00 -0.94 -0.36 0.00 0.71 0.00 0.00 54.79 54.19 3dqi n ASP 117 Cb 0.00 -0.01 -0.07 0.00 -0.02 0.00 0.00 41.12 41.02 3dqi n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqi s THR 118 N -2.28 5.32 -0.22 -3.53 2.01 -0.76 -4.37 115.64 111.81 3dqi s THR 118 Ca 0.33 0.51 -0.24 0.00 0.31 0.00 0.00 61.69 62.60 3dqi s THR 118 Cb 0.20 -3.61 -0.01 0.00 0.01 0.00 0.00 72.50 69.09 3dqi s THR 118 CO 0.43 0.39 0.80 -0.22 -0.69 0.00 0.00 174.62 175.33 3dqi s LEU 119 N 0.49 4.11 -0.08 4.42 1.98 -0.60 -0.26 118.68 128.74 3dqi s LEU 119 Ca 0.15 1.04 0.03 0.00 -2.89 0.00 0.00 54.13 52.47 3dqi s LEU 119 Cb -0.13 -3.16 -0.02 0.00 0.66 0.00 0.00 46.19 43.55 3dqi s LEU 119 CO 0.03 -0.46 -0.17 -0.69 -1.89 0.00 0.00 176.35 173.17 3dqi s VAL 120 N 2.55 2.74 -0.35 1.68 1.01 0.10 -1.71 120.40 126.44 3dqi s VAL 120 Ca 0.35 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.55 3dqi s VAL 120 Cb -0.16 -2.08 0.10 0.00 0.00 0.00 0.00 36.38 34.25 3dqi s VAL 120 CO 0.09 0.56 0.07 0.21 0.00 0.00 0.00 175.10 176.03 3dqi s ASN 121 N -0.22 4.66 -0.25 3.32 2.47 -0.64 -1.54 114.94 122.75 3dqi s ASN 121 Ca -0.00 -2.14 -0.15 0.00 0.42 0.00 0.00 52.86 50.98 3dqi s ASN 121 Cb -0.13 -1.54 -0.04 0.00 -1.45 0.00 0.00 41.25 38.09 3dqi s ASN 121 CO 0.03 -0.38 0.37 -0.13 -3.72 0.00 0.00 177.10 173.27 3dqi s ARG 122 N 0.92 4.07 -0.00 0.43 0.52 -0.58 -1.70 118.95 122.62 3dqi s ARG 122 Ca 0.11 0.08 0.06 0.00 -0.52 0.00 0.00 55.73 55.46 3dqi s ARG 122 Cb -0.19 -3.61 -0.02 0.00 0.52 0.00 0.00 34.95 31.65 3dqi s ARG 122 CO -0.10 -0.18 -0.20 0.42 0.02 0.00 0.00 175.30 175.27 3dqi s ILE 123 N 1.76 1.58 -0.07 1.52 1.01 0.66 -1.69 121.20 125.97 3dqi s ILE 123 Ca 0.16 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.93 3dqi s ILE 123 Cb -0.15 -1.32 -0.01 0.00 0.01 0.00 0.00 42.46 40.98 3dqi s ILE 123 CO 0.09 0.39 -0.21 -1.61 0.00 0.00 0.00 174.94 173.60 3dqi s GLU 124 N -0.62 2.72 -0.08 2.79 2.02 -0.40 -1.81 118.70 123.32 3dqi s GLU 124 Ca 0.07 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.26 3dqi s GLU 124 Cb -0.08 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.87 3dqi s GLU 124 CO -0.00 0.39 -0.12 -1.17 0.02 0.00 0.00 175.26 174.37 3dqi s LEU 125 N -0.15 1.57 -0.14 1.80 0.20 -0.50 -1.58 118.68 119.87 3dqi s LEU 125 Ca -0.03 -0.32 0.02 0.00 0.69 0.00 0.00 54.13 54.49 3dqi s LEU 125 Cb -0.14 -0.87 0.01 0.00 -0.43 0.00 0.00 46.19 44.76 3dqi s LEU 125 CO 0.04 0.00 -0.20 -0.54 -0.29 0.00 0.00 176.35 175.35 3dqi s LYS 126 N 0.92 3.06 -0.10 1.98 3.01 0.02 -1.80 119.74 126.84 3dqi s LYS 126 Ca -0.09 -0.83 -0.01 0.00 -1.01 0.00 0.00 55.97 54.02 3dqi s LYS 126 Cb -0.15 -2.48 -0.03 0.00 -1.01 0.00 0.00 37.83 34.16 3dqi s LYS 126 CO 0.01 -0.01 -0.03 0.20 0.51 0.00 0.00 175.35 176.02 3dqi s GLY 127 N 0.82 1.77 0.10 -3.33 0.00 0.11 -0.30 107.32 106.49 3dqi s GLY 127 Ca -0.07 -0.84 0.02 0.00 0.00 0.00 0.00 44.72 43.84 3dqi s GLY 127 CO -0.02 -0.49 -0.07 -0.26 0.00 0.00 0.00 173.10 172.26 3dqi s ILE 128 N -0.57 0.76 -1.90 0.90 -4.36 -0.71 -0.93 121.20 114.39 3dqi s ILE 128 Ca 0.09 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.53 3dqi s ILE 128 Cb -0.12 -1.71 0.00 0.00 1.25 0.00 0.00 42.46 41.89 3dqi s ILE 128 CO 0.02 -0.86 0.00 0.47 0.24 0.00 0.00 174.94 174.81 3dqi n ASP 129 N -0.06 -5.37 -4.81 4.36 8.00 -1.26 -1.80 116.55 115.61 3dqi n ASP 129 Ca -0.12 0.31 -0.33 0.00 0.71 0.00 0.00 54.79 55.36 3dqi n ASP 129 Cb 0.61 -4.50 -0.03 0.00 -0.02 0.00 0.00 41.12 37.18 3dqi n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqi s PHE 130 N -2.79 3.15 -0.15 1.24 0.08 -1.26 -3.07 117.98 115.18 3dqi s PHE 130 Ca 0.00 1.54 -0.24 0.00 0.12 0.00 0.00 56.93 58.34 3dqi s PHE 130 Cb 0.00 -2.95 -0.02 0.00 -0.57 0.00 0.00 43.02 39.48 3dqi s PHE 130 CO 0.00 -0.69 0.78 0.15 -0.10 0.00 0.00 175.22 175.36 3dqi s LYS 131 N -3.66 4.32 0.56 0.44 1.02 -1.26 -4.88 119.74 116.27 3dqi s LYS 131 Ca 0.63 0.94 0.25 0.00 0.02 0.00 0.00 55.97 57.82 3dqi s LYS 131 Cb -0.14 -3.55 1.54 0.00 -0.52 0.00 0.00 37.83 35.17 3dqi s LYS 131 CO 0.26 -0.24 2.12 0.93 -0.92 0.00 0.00 175.35 177.51 3dqi h GLU 132 N 7.24 0.00 -0.25 1.68 4.39 -1.96 -1.29 114.58 124.39 3dqi h GLU 132 Ca -0.32 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.38 3dqi h GLU 132 Cb 1.15 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.80 3dqi h GLU 132 CO 0.81 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.26 3dqi n ASP 133 N -4.10 3.20 -2.09 1.42 5.75 -1.26 -3.50 116.55 115.98 3dqi n ASP 133 Ca 0.01 -2.52 0.00 0.00 -0.01 0.00 0.00 54.79 52.27 3dqi n ASP 133 Cb 0.28 -0.36 0.00 0.00 -1.03 0.00 0.00 41.12 40.01 3dqi n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dqi n GLY 134 N -0.17 -1.34 0.33 6.12 0.00 -0.49 -4.60 105.19 105.04 3dqi n GLY 134 Ca 0.15 -1.63 0.04 0.00 0.00 0.00 0.00 46.02 44.58 3dqi n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqi h ASN 135 N -0.16 0.59 0.00 1.61 2.35 -1.91 0.14 115.58 118.20 3dqi h ASN 135 Ca 0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3dqi h ASN 135 Cb 0.00 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.23 3dqi h ASN 135 CO 0.00 0.41 -0.03 0.40 -1.65 0.00 0.00 177.43 176.56 3dqi h ILE 136 N 0.68 0.00 0.00 2.81 5.03 -1.93 0.08 117.51 124.19 3dqi h ILE 136 Ca 0.22 -0.24 0.00 0.00 -0.12 0.00 0.00 64.86 64.72 3dqi h ILE 136 Cb 0.04 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 33.83 3dqi h ILE 136 CO -0.06 0.00 0.00 -0.07 -0.68 0.00 0.00 178.15 177.34 3dqi h LEU 137 N -0.24 0.00 -2.28 1.44 3.38 -1.72 -2.35 115.31 113.55 3dqi h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqi h LEU 137 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3dqi h LEU 137 CO 0.00 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.14 3dqi n GLY 138 N -0.18 1.89 4.09 0.83 0.00 0.50 -4.80 105.19 107.52 3dqi n GLY 138 Ca -0.00 -0.67 -0.47 0.00 0.00 0.00 0.00 46.02 44.88 3dqi n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqi n HIS 139 N 1.28 -1.39 -0.06 1.61 8.25 -0.88 -4.88 115.22 119.14 3dqi n HIS 139 Ca 0.21 0.07 0.11 0.00 -0.26 0.00 0.00 57.72 57.85 3dqi n HIS 139 Cb 0.53 -2.76 0.26 0.00 1.12 0.00 0.00 29.99 29.14 3dqi n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqi n LYS 140 N -5.03 2.60 -3.48 -0.41 5.02 0.01 -4.97 118.16 111.90 3dqi n LYS 140 Ca -0.12 -2.43 -0.37 0.00 -2.02 0.00 0.00 58.31 53.37 3dqi n LYS 140 Cb 0.56 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 34.00 3dqi n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqi s LEU 141 N -1.20 4.32 0.51 -0.35 1.43 -1.25 -0.69 118.68 121.46 3dqi s LEU 141 Ca 0.42 0.71 -0.21 0.00 -1.03 0.00 0.00 54.13 54.02 3dqi s LEU 141 Cb 0.23 -2.50 -0.06 0.00 0.03 0.00 0.00 46.19 43.89 3dqi s LEU 141 CO 0.31 0.15 1.20 -1.61 0.23 0.00 0.00 176.35 176.63 3dqi s GLU 142 N 0.03 3.43 -1.30 1.70 2.02 0.63 -4.87 118.70 120.34 3dqi s GLU 142 Ca 0.21 1.84 -0.13 0.00 0.02 0.00 0.00 54.97 56.91 3dqi s GLU 142 Cb -0.14 -2.23 0.13 0.00 0.10 0.00 0.00 34.13 31.99 3dqi s GLU 142 CO 0.08 -0.84 1.79 0.98 0.02 0.00 0.00 175.26 177.29 3dqi n TYR 143 N -0.92 3.96 -3.70 1.61 9.36 -1.26 -4.78 117.16 121.44 3dqi n TYR 143 Ca 0.10 -3.00 -0.06 0.00 3.32 0.00 0.00 57.90 58.25 3dqi n TYR 143 Cb 0.48 -2.26 0.02 0.00 -0.63 0.00 0.00 39.34 36.95 3dqi n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqi n ASN 144 N 5.63 -1.83 -3.64 2.98 0.23 -1.26 -4.90 115.26 112.47 3dqi n ASN 144 Ca 0.43 -2.21 -0.06 0.00 -0.53 0.00 0.00 54.58 52.21 3dqi n ASN 144 Cb 0.40 3.03 -0.07 0.00 -2.08 0.00 0.00 39.78 41.07 3dqi n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqi s TYR 145 N -3.15 -0.82 0.34 -2.53 5.04 -1.26 -4.88 117.35 110.09 3dqi s TYR 145 Ca 0.15 1.70 -0.04 0.00 -2.44 0.00 0.00 57.07 56.43 3dqi s TYR 145 Cb -0.04 0.48 -0.05 0.00 0.35 0.00 0.00 41.96 42.70 3dqi s TYR 145 CO 0.09 -0.40 0.61 -0.80 -1.34 0.00 0.00 175.55 173.71 3dqi s ASN 146 N 1.27 6.39 0.44 4.32 0.01 -1.26 -4.76 114.94 121.35 3dqi s ASN 146 Ca -0.07 0.74 -0.23 0.00 -0.71 0.00 0.00 52.86 52.58 3dqi s ASN 146 Cb -0.05 -2.16 -0.08 0.00 0.41 0.00 0.00 41.25 39.38 3dqi s ASN 146 CO -0.15 -0.30 1.14 -0.44 -1.51 0.00 0.00 177.10 175.84 3dqi s SER 147 N -3.50 6.35 -0.17 -1.22 0.01 -1.26 -4.71 113.70 109.21 3dqi s SER 147 Ca 0.44 2.25 -0.13 0.00 1.31 0.00 0.00 55.95 59.82 3dqi s SER 147 Cb -0.10 -2.60 0.05 0.00 0.21 0.00 0.00 66.02 63.58 3dqi s SER 147 CO 0.34 -0.79 0.43 -1.00 0.41 0.00 0.00 173.24 172.63 3dqi s HIS 148 N -1.56 -0.54 0.13 2.43 3.76 -1.00 -5.01 115.29 113.50 3dqi s HIS 148 Ca 0.61 1.24 -0.24 0.00 -0.15 0.00 0.00 55.06 56.53 3dqi s HIS 148 Cb -0.27 0.22 -0.07 0.00 1.11 0.00 0.00 32.58 33.56 3dqi s HIS 148 CO 0.33 -0.28 0.71 -0.80 -0.85 0.00 0.00 174.74 173.86 3dqi s ASN 149 N 0.72 7.28 -0.19 1.40 0.02 -1.26 -1.28 114.94 121.63 3dqi s ASN 149 Ca -0.04 1.52 -0.01 0.00 -1.02 0.00 0.00 52.86 53.31 3dqi s ASN 149 Cb -0.05 -2.46 0.00 0.00 0.02 0.00 0.00 41.25 38.77 3dqi s ASN 149 CO -0.05 0.21 -0.13 -0.69 0.02 0.00 0.00 177.10 176.46 3dqi s VAL 150 N -1.04 2.67 -0.25 1.60 1.01 -0.12 -4.82 120.40 119.44 3dqi s VAL 150 Ca 0.34 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.48 3dqi s VAL 150 Cb -0.22 -2.16 -0.04 0.00 0.00 0.00 0.00 36.38 33.96 3dqi s VAL 150 CO 0.24 0.49 0.13 -0.31 0.00 0.00 0.00 175.10 175.66 3dqi s TYR 151 N 1.20 3.20 -0.18 5.22 2.02 -1.24 -0.58 117.35 127.00 3dqi s TYR 151 Ca 0.02 -0.02 -0.08 0.00 -0.37 0.00 0.00 57.07 56.62 3dqi s TYR 151 Cb -0.14 -2.28 -0.04 0.00 -0.40 0.00 0.00 41.96 39.10 3dqi s TYR 151 CO -0.06 -0.14 0.08 0.42 -1.57 0.00 0.00 175.55 174.28 3dqi s ILE 152 N 1.42 4.94 0.11 2.71 1.01 0.06 -3.11 121.20 128.34 3dqi s ILE 152 Ca 0.06 0.02 0.05 0.00 0.00 0.00 0.00 60.65 60.78 3dqi s ILE 152 Cb -0.15 -3.22 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3dqi s ILE 152 CO 0.06 0.48 -0.13 0.00 0.00 0.00 0.00 174.94 175.35 3dqi s MET 153 N 0.20 0.95 0.70 2.79 0.23 -0.15 -2.55 119.30 121.48 3dqi s MET 153 Ca 0.05 -1.18 -0.16 0.00 -1.03 0.00 0.00 55.69 53.38 3dqi s MET 153 Cb -0.12 -0.81 0.02 0.00 -1.53 0.00 0.00 34.83 32.39 3dqi s MET 153 CO 0.00 0.15 1.21 0.00 -2.03 0.00 0.00 175.02 174.35 3dqi s ALA 154 N -2.08 2.21 -0.56 3.16 0.00 -1.26 -0.75 121.76 122.49 3dqi s ALA 154 Ca 0.07 0.90 0.05 0.00 0.00 0.00 0.00 51.96 52.97 3dqi s ALA 154 Cb -0.05 -3.46 0.18 0.00 0.00 0.00 0.00 23.12 19.78 3dqi s ALA 154 CO 0.02 -1.73 0.45 -3.47 0.00 0.00 0.00 175.76 171.03 3dqi n ASP 155 N -2.49 1.40 -0.11 0.00 -0.08 -0.22 -4.48 116.55 110.57 3dqi n ASP 155 Ca 0.13 -2.84 -0.09 0.00 -1.51 0.00 0.00 54.79 50.49 3dqi n ASP 155 Cb 0.50 -0.66 -0.01 0.00 2.34 0.00 0.00 41.12 43.29 3dqi n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqi h LYS 156 N 5.34 0.50 -0.02 -0.67 1.57 -1.95 -1.40 116.57 119.95 3dqi h LYS 156 Ca 0.20 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.91 3dqi h LYS 156 Cb 0.82 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.04 3dqi h LYS 156 CO 0.56 0.46 0.11 -0.56 -0.57 0.00 0.00 179.45 179.45 3dqi h GLN 157 N 0.43 0.00 -0.25 3.15 3.07 -1.95 -1.41 115.11 118.14 3dqi h GLN 157 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 3dqi h GLN 157 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.68 3dqi h GLN 157 CO -0.01 0.00 0.00 1.63 0.09 0.00 0.00 178.83 180.54 3dqi n LYS 158 N -3.13 2.81 -3.06 0.06 5.02 -0.61 -4.98 118.16 114.27 3dqi n LYS 158 Ca -0.02 -2.21 -0.22 0.00 -2.02 0.00 0.00 58.31 53.83 3dqi n LYS 158 Cb 0.18 -1.40 0.02 0.00 -0.02 0.00 0.00 35.03 33.81 3dqi n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqi n ASN 159 N -0.02 -5.14 0.00 4.39 5.15 -0.53 -4.85 115.26 114.27 3dqi n ASN 159 Ca 0.13 -0.27 0.00 0.00 -0.60 0.00 0.00 54.58 53.83 3dqi n ASN 159 Cb 0.54 -4.19 0.00 0.00 -0.53 0.00 0.00 39.78 35.59 3dqi n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqi n GLY 160 N -1.33 4.28 3.17 8.20 0.00 -0.72 -4.40 105.19 114.39 3dqi n GLY 160 Ca -0.09 -0.96 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 3dqi n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqi s ILE 161 N -0.99 0.89 0.09 -0.61 -4.36 -0.64 -1.05 121.20 114.52 3dqi s ILE 161 Ca 0.00 -1.69 0.09 0.00 -0.26 0.00 0.00 60.65 58.79 3dqi s ILE 161 Cb 0.00 -1.41 -0.03 0.00 1.25 0.00 0.00 42.46 42.27 3dqi s ILE 161 CO 0.00 -0.62 -0.24 -0.54 0.24 0.00 0.00 174.94 173.78 3dqi s LYS 162 N -2.97 1.43 -0.04 0.37 1.02 0.07 -1.27 119.74 118.35 3dqi s LYS 162 Ca 0.06 -1.17 -0.01 0.00 0.02 0.00 0.00 55.97 54.87 3dqi s LYS 162 Cb -0.01 -1.73 0.03 0.00 -0.52 0.00 0.00 37.83 35.60 3dqi s LYS 162 CO -0.01 0.42 0.08 0.08 -0.92 0.00 0.00 175.35 175.01 3dqi s VAL 163 N -0.97 -0.05 -0.01 3.17 1.01 -0.55 -0.98 120.40 122.03 3dqi s VAL 163 Ca 0.10 0.18 0.03 0.00 0.00 0.00 0.00 61.98 62.30 3dqi s VAL 163 Cb -0.10 -0.15 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3dqi s VAL 163 CO 0.04 0.07 -0.09 0.21 0.00 0.00 0.00 175.10 175.33 3dqi s ASN 164 N 1.03 1.09 -0.16 3.32 3.04 -1.18 -0.26 114.94 121.81 3dqi s ASN 164 Ca -0.08 -0.17 -0.34 0.00 0.04 0.00 0.00 52.86 52.31 3dqi s ASN 164 Cb -0.11 -0.14 0.13 0.00 -1.54 0.00 0.00 41.25 39.59 3dqi s ASN 164 CO -0.04 0.11 1.18 0.72 -3.04 0.00 0.00 177.10 176.02 3dqi s PHE 165 N -0.17 -0.15 -0.02 0.43 -0.71 -0.73 -3.61 117.98 113.03 3dqi s PHE 165 Ca 0.03 0.09 0.06 0.00 -1.04 0.00 0.00 56.93 56.06 3dqi s PHE 165 Cb -0.04 0.52 -0.03 0.00 -1.21 0.00 0.00 43.02 42.26 3dqi s PHE 165 CO -0.00 -0.24 -0.18 0.15 -1.34 0.00 0.00 175.22 173.60 3dqi s LYS 166 N -2.50 2.28 -0.08 1.99 1.02 -1.26 -0.00 119.74 121.19 3dqi s LYS 166 Ca 0.09 -0.84 0.03 0.00 0.02 0.00 0.00 55.97 55.28 3dqi s LYS 166 Cb -0.01 -2.23 -0.02 0.00 -0.52 0.00 0.00 37.83 35.05 3dqi s LYS 166 CO -0.05 0.58 -0.18 0.42 -0.92 0.00 0.00 175.35 175.20 3dqi s ILE 167 N -0.76 2.63 -0.26 2.17 -1.09 -0.03 -4.98 121.20 118.88 3dqi s ILE 167 Ca 0.12 -0.85 -0.06 0.00 -2.23 0.00 0.00 60.65 57.64 3dqi s ILE 167 Cb -0.10 -2.03 0.00 0.00 -1.58 0.00 0.00 42.46 38.75 3dqi s ILE 167 CO 0.01 0.56 0.03 -0.13 -1.23 0.00 0.00 174.94 174.19 3dqi s ARG 168 N -0.15 3.22 -0.14 2.79 0.52 -1.26 -0.01 118.95 123.92 3dqi s ARG 168 Ca -0.02 -0.76 -0.13 0.00 -0.52 0.00 0.00 55.73 54.30 3dqi s ARG 168 Cb -0.14 -3.23 -0.05 0.00 0.52 0.00 0.00 34.95 32.05 3dqi s ARG 168 CO 0.04 -0.34 0.30 -1.01 0.02 0.00 0.00 175.30 174.30 3dqi s HIS 169 N 1.49 3.51 0.07 -0.53 3.76 -0.56 -4.65 115.29 118.37 3dqi s HIS 169 Ca 0.04 0.64 -0.31 0.00 -0.15 0.00 0.00 55.06 55.28 3dqi s HIS 169 Cb -0.16 -2.30 -0.08 0.00 1.11 0.00 0.00 32.58 31.15 3dqi s HIS 169 CO 0.00 0.33 1.52 -0.80 -0.85 0.00 0.00 174.74 174.95 3dqi s ASN 170 N 0.15 6.71 0.41 1.40 0.01 -1.26 -0.24 114.94 122.11 3dqi s ASN 170 Ca 0.17 2.37 -0.12 0.00 -0.71 0.00 0.00 52.86 54.58 3dqi s ASN 170 Cb -0.13 -2.57 -0.07 0.00 0.41 0.00 0.00 41.25 38.89 3dqi s ASN 170 CO 0.05 -0.79 0.79 -0.63 -1.51 0.00 0.00 177.10 175.01 3dqi s ILE 171 N 2.10 4.75 0.31 0.60 1.01 -0.06 -0.27 121.20 129.64 3dqi s ILE 171 Ca 0.69 0.71 0.29 0.00 0.00 0.00 0.00 60.65 62.34 3dqi s ILE 171 Cb -0.37 -3.72 0.31 0.00 0.01 0.00 0.00 42.46 38.69 3dqi s ILE 171 CO 0.30 -0.50 2.02 1.05 0.00 0.00 0.00 174.94 177.81 3dqi h GLU 172 N 1.33 0.00 0.00 2.79 4.11 -1.21 -1.34 114.58 120.26 3dqi h GLU 172 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3dqi h GLU 172 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dqi h GLU 172 CO 0.64 0.11 0.00 -0.40 0.07 0.00 0.00 179.01 179.43 3dqi n ASP 173 N -3.42 0.00 0.00 3.06 5.68 -1.26 -4.89 116.55 115.72 3dqi n ASP 173 Ca -0.01 -0.97 0.00 0.00 -0.50 0.00 0.00 54.79 53.31 3dqi n ASP 173 Cb 0.28 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 3dqi n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqi n GLY 174 N 0.79 0.64 0.00 6.12 0.00 -0.50 -5.09 105.19 107.15 3dqi n GLY 174 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3dqi n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqi n SER 175 N 0.00 0.00 -4.06 1.61 2.88 -1.25 -4.81 113.62 107.99 3dqi n SER 175 Ca 0.00 -0.84 -0.19 0.00 -1.33 0.00 0.00 58.87 56.52 3dqi n SER 175 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 3dqi n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqi s VAL 176 N -0.46 0.82 -0.36 2.46 -7.23 -1.26 -0.89 120.40 113.48 3dqi s VAL 176 Ca 0.00 -0.63 -0.13 0.00 -1.81 0.00 0.00 61.98 59.41 3dqi s VAL 176 Cb 0.00 -0.73 -0.00 0.00 0.56 0.00 0.00 36.38 36.21 3dqi s VAL 176 CO 0.00 0.10 0.25 -1.58 -0.31 0.00 0.00 175.10 173.56 3dqi s GLN 177 N -0.60 3.28 0.19 4.82 2.00 0.66 -4.87 119.66 125.14 3dqi s GLN 177 Ca 0.02 -0.79 -0.30 0.00 -2.00 0.00 0.00 55.36 52.29 3dqi s GLN 177 Cb -0.05 -3.83 -0.08 0.00 0.80 0.00 0.00 33.01 29.84 3dqi s GLN 177 CO 0.00 -0.55 1.10 -0.51 -0.50 0.00 0.00 175.29 174.83 3dqi s LEU 178 N 1.69 4.50 -0.31 3.68 1.43 -1.26 -1.50 118.68 126.90 3dqi s LEU 178 Ca 0.05 2.11 -0.01 0.00 -1.03 0.00 0.00 54.13 55.25 3dqi s LEU 178 Cb -0.18 -3.61 0.10 0.00 0.03 0.00 0.00 46.19 42.54 3dqi s LEU 178 CO 0.10 -0.20 0.11 0.00 0.23 0.00 0.00 176.35 176.58 3dqi s ALA 179 N -0.35 1.44 -0.37 4.21 0.00 0.99 -0.95 121.76 126.72 3dqi s ALA 179 Ca 0.49 -1.64 -0.23 0.00 0.00 0.00 0.00 51.96 50.58 3dqi s ALA 179 Cb -0.30 -1.61 0.01 0.00 0.00 0.00 0.00 23.12 21.23 3dqi s ALA 179 CO 0.35 -1.69 0.75 -0.51 0.00 0.00 0.00 175.76 174.67 3dqi s ASP 180 N 1.61 6.51 -0.20 0.00 1.11 -0.66 -0.85 116.67 124.19 3dqi s ASP 180 Ca 0.10 0.26 -0.10 0.00 0.18 0.00 0.00 52.55 52.99 3dqi s ASP 180 Cb -0.17 -2.38 -0.05 0.00 1.07 0.00 0.00 42.92 41.39 3dqi s ASP 180 CO -0.25 -0.72 0.13 -1.00 1.18 0.00 0.00 175.17 174.50 3dqi s HIS 181 N 3.04 3.38 -0.12 4.23 3.76 1.00 -1.09 115.29 129.49 3dqi s HIS 181 Ca 0.30 0.29 0.01 0.00 -0.15 0.00 0.00 55.06 55.50 3dqi s HIS 181 Cb -0.13 -2.16 -0.01 0.00 1.11 0.00 0.00 32.58 31.38 3dqi s HIS 181 CO 0.17 0.25 -0.15 0.71 -0.85 0.00 0.00 174.74 174.87 3dqi s TYR 182 N 0.45 2.76 0.02 1.40 1.51 0.26 -1.77 117.35 121.98 3dqi s TYR 182 Ca 0.07 -0.63 0.00 0.00 -1.01 0.00 0.00 57.07 55.51 3dqi s TYR 182 Cb -0.11 -1.80 -0.02 0.00 -0.11 0.00 0.00 41.96 39.92 3dqi s TYR 182 CO -0.01 -0.18 -0.04 -1.14 -1.11 0.00 0.00 175.55 173.07 3dqi s GLN 183 N 0.21 0.35 -0.02 -0.62 0.74 0.64 -1.75 119.66 119.21 3dqi s GLN 183 Ca -0.09 -0.63 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3dqi s GLN 183 Cb -0.15 0.02 0.01 0.00 1.10 0.00 0.00 33.01 33.99 3dqi s GLN 183 CO 0.05 -0.03 0.03 -1.14 -0.55 0.00 0.00 175.29 173.66 3dqi s GLN 184 N -1.45 0.00 0.00 1.67 0.74 -0.17 -1.48 119.66 118.98 3dqi s GLN 184 Ca -0.14 0.11 0.07 0.00 0.05 0.00 0.00 55.36 55.45 3dqi s GLN 184 Cb -0.10 -0.10 -0.02 0.00 1.10 0.00 0.00 33.01 33.89 3dqi s GLN 184 CO -0.01 -0.08 -0.23 -0.80 -0.55 0.00 0.00 175.29 173.63 3dqi s ASN 185 N 0.49 2.71 0.00 6.67 -0.87 -0.40 -1.19 114.94 122.35 3dqi s ASN 185 Ca -0.04 -0.46 0.00 0.00 -1.57 0.00 0.00 52.86 50.79 3dqi s ASN 185 Cb -0.06 -0.28 -0.00 0.00 -0.02 0.00 0.00 41.25 40.89 3dqi s ASN 185 CO -0.01 0.25 -0.01 0.42 -2.57 0.00 0.00 177.10 175.18 3dqi s THR 186 N -0.63 0.02 0.53 1.60 -4.23 -0.72 -1.62 115.64 110.60 3dqi s THR 186 Ca 0.09 -0.14 -0.21 0.00 -1.18 0.00 0.00 61.69 60.25 3dqi s THR 186 Cb -0.09 -0.06 -0.06 0.00 1.34 0.00 0.00 72.50 73.64 3dqi s THR 186 CO 0.00 -0.07 1.20 -2.16 -0.54 0.00 0.00 174.62 173.05 3dqi s PRO 187 N -0.23 3.34 0.04 3.99 0.04 -1.26 -0.28 135.00 140.64 3dqi s PRO 187 Ca -0.02 1.84 -0.12 0.00 0.04 0.00 0.00 61.00 62.73 3dqi s PRO 187 Cb -0.02 -2.16 -0.33 0.00 0.04 0.00 0.00 34.50 32.03 3dqi s PRO 187 CO -0.00 -0.91 1.02 0.82 0.04 0.00 0.00 177.00 177.97 3dqi h ILE 188 N 1.38 1.32 -4.26 0.56 2.04 -1.61 -3.44 117.51 113.50 3dqi h ILE 188 Ca -0.50 -2.80 -0.47 0.00 1.00 0.00 0.00 64.86 62.09 3dqi h ILE 188 Cb 1.27 3.00 0.12 0.00 -0.74 0.00 0.00 36.82 40.48 3dqi h ILE 188 CO 0.58 0.84 0.32 -0.83 0.00 0.00 0.00 178.15 179.05 3dqi s GLY 189 N -4.65 1.60 0.00 5.37 0.00 -1.26 -4.99 107.32 103.39 3dqi s GLY 189 Ca -0.08 -0.35 0.25 0.00 0.00 0.00 0.00 44.72 44.54 3dqi s GLY 189 CO 0.92 0.14 1.39 1.34 0.00 0.00 0.00 173.10 176.89 3dqi n ASP 190 N -3.60 2.22 -4.87 1.64 2.03 -1.26 -5.00 116.55 107.72 3dqi n ASP 190 Ca 0.07 -1.66 -0.29 0.00 0.52 0.00 0.00 54.79 53.42 3dqi n ASP 190 Cb 0.58 0.10 0.08 0.00 -0.72 0.00 0.00 41.12 41.16 3dqi n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqi s GLY 191 N -2.14 1.60 0.66 0.27 0.00 -1.26 -5.02 107.32 101.44 3dqi s GLY 191 Ca 0.29 -0.48 -0.18 0.00 0.00 0.00 0.00 44.72 44.36 3dqi s GLY 191 CO 0.38 -0.02 1.28 2.56 0.00 0.00 0.00 173.10 177.29 3dqi s PRO 192 N -5.41 2.49 0.10 2.90 0.04 -1.26 -5.04 135.00 128.82 3dqi s PRO 192 Ca 0.61 2.01 0.05 0.00 0.04 0.00 0.00 61.00 63.70 3dqi s PRO 192 Cb -0.12 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.54 3dqi s PRO 192 CO 0.51 -1.63 -0.12 0.14 0.04 0.00 0.00 177.00 175.94 3dqi s VAL 193 N -1.50 1.13 -0.33 -0.36 -7.23 -1.26 -4.82 120.40 106.02 3dqi s VAL 193 Ca 0.81 -1.62 -0.29 0.00 -1.81 0.00 0.00 61.98 59.07 3dqi s VAL 193 Cb -0.36 -1.38 0.01 0.00 0.56 0.00 0.00 36.38 35.20 3dqi s VAL 193 CO 0.40 -0.45 1.27 -0.76 -0.31 0.00 0.00 175.10 175.26 3dqi s LEU 194 N -2.34 3.82 -0.26 1.32 1.43 -1.26 -5.02 118.68 116.37 3dqi s LEU 194 Ca 0.06 1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 54.10 3dqi s LEU 194 Cb -0.05 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 3dqi s LEU 194 CO 0.02 -1.12 0.26 -0.76 0.23 0.00 0.00 176.35 174.98 3dqi s LEU 195 N 4.43 4.06 0.38 1.79 1.43 -1.26 -3.81 118.68 125.71 3dqi s LEU 195 Ca 0.55 0.17 -0.14 0.00 -1.03 0.00 0.00 54.13 53.67 3dqi s LEU 195 Cb -0.15 -2.25 -0.08 0.00 0.03 0.00 0.00 46.19 43.74 3dqi s LEU 195 CO 0.24 -0.06 0.80 -2.16 0.23 0.00 0.00 176.35 175.40 3dqi s PRO 196 N 1.61 3.95 0.72 1.29 0.04 -1.26 -4.91 135.00 136.44 3dqi s PRO 196 Ca 0.11 0.69 -0.14 0.00 0.04 0.00 0.00 61.00 61.69 3dqi s PRO 196 Cb -0.15 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.07 3dqi s PRO 196 CO 0.09 0.02 1.16 -0.51 0.04 0.00 0.00 177.00 177.80 3dqi s ASP 197 N -2.65 4.41 0.13 6.66 1.01 -1.26 -3.97 116.67 121.00 3dqi s ASP 197 Ca 0.55 2.20 -0.35 0.00 0.71 0.00 0.00 52.55 55.66 3dqi s ASP 197 Cb -0.10 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.10 3dqi s ASP 197 CO 0.23 -2.11 1.36 0.59 0.21 0.00 0.00 175.17 175.45 3dqi n ASN 198 N -2.77 1.98 -0.97 0.27 3.02 -1.26 -4.85 115.26 110.67 3dqi n ASN 198 Ca 0.12 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.79 3dqi n ASN 198 Cb 0.51 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.41 3dqi n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqi n HIS 199 N 2.42 -0.95 -4.02 3.10 1.44 -1.06 -4.71 115.22 111.45 3dqi n HIS 199 Ca 0.17 0.00 -0.09 0.00 -2.01 0.00 0.00 57.72 55.78 3dqi n HIS 199 Cb 0.23 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.26 3dqi n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqi s TYR 200 N -8.64 0.53 -0.12 -1.40 -0.85 -0.47 -0.76 117.35 105.64 3dqi s TYR 200 Ca 0.00 -0.92 -0.01 0.00 -0.52 0.00 0.00 57.07 55.62 3dqi s TYR 200 Cb 0.00 -0.23 -0.02 0.00 0.38 0.00 0.00 41.96 42.09 3dqi s TYR 200 CO 0.00 -0.60 -0.10 -0.51 -1.52 0.00 0.00 175.55 172.83 3dqi s LEU 201 N -2.97 2.92 -0.21 -3.49 1.43 0.25 -0.53 118.68 116.08 3dqi s LEU 201 Ca 0.17 -0.22 -0.13 0.00 -1.03 0.00 0.00 54.13 52.91 3dqi s LEU 201 Cb 0.05 -1.66 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 3dqi s LEU 201 CO -0.02 0.21 0.27 -0.44 0.23 0.00 0.00 176.35 176.60 3dqi s SER 202 N 0.11 6.30 -0.08 2.29 0.01 0.33 -0.95 113.70 121.71 3dqi s SER 202 Ca -0.04 0.34 0.02 0.00 1.31 0.00 0.00 55.95 57.58 3dqi s SER 202 Cb -0.14 -2.17 -0.02 0.00 0.21 0.00 0.00 66.02 63.90 3dqi s SER 202 CO 0.04 0.02 -0.13 -0.31 0.41 0.00 0.00 173.24 173.27 3dqi s TYR 203 N 1.02 2.78 0.01 2.43 1.51 -0.40 -2.20 117.35 122.49 3dqi s TYR 203 Ca 0.14 -0.30 0.07 0.00 -1.01 0.00 0.00 57.07 55.96 3dqi s TYR 203 Cb -0.14 -1.72 -0.02 0.00 -0.11 0.00 0.00 41.96 39.97 3dqi s TYR 203 CO 0.05 0.06 -0.22 -0.65 -1.11 0.00 0.00 175.55 173.69 3dqi s GLN 204 N -0.34 1.65 -0.09 -0.62 1.11 -0.64 -2.36 119.66 118.38 3dqi s GLN 204 Ca 0.03 -0.86 -0.04 0.00 0.01 0.00 0.00 55.36 54.51 3dqi s GLN 204 Cb -0.13 -1.67 0.05 0.00 -1.01 0.00 0.00 33.01 30.25 3dqi s GLN 204 CO 0.02 0.45 0.18 -1.12 0.01 0.00 0.00 175.29 174.83 3dqi s SER 205 N -0.78 0.11 -0.07 5.90 0.01 -1.26 -1.10 113.70 116.51 3dqi s SER 205 Ca 0.08 0.39 0.04 0.00 1.31 0.00 0.00 55.95 57.77 3dqi s SER 205 Cb -0.09 0.31 0.00 0.00 0.21 0.00 0.00 66.02 66.46 3dqi s SER 205 CO 0.00 -0.18 -0.20 0.00 0.41 0.00 0.00 173.24 173.27 3dqi s ALA 206 N 1.59 1.80 -0.06 1.44 0.00 0.41 -4.58 121.76 122.37 3dqi s ALA 206 Ca -0.05 -0.78 0.03 0.00 0.00 0.00 0.00 51.96 51.16 3dqi s ALA 206 Cb -0.11 -0.67 -0.03 0.00 0.00 0.00 0.00 23.12 22.31 3dqi s ALA 206 CO -0.07 0.26 -0.13 -0.51 0.00 0.00 0.00 175.76 175.31 3dqi s LEU 207 N 0.30 2.81 0.34 0.00 1.43 -1.26 -1.32 118.68 120.98 3dqi s LEU 207 Ca -0.13 -0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 52.75 3dqi s LEU 207 Cb -0.16 -1.58 0.01 0.00 0.03 0.00 0.00 46.19 44.49 3dqi s LEU 207 CO 0.06 0.34 0.50 -0.94 0.23 0.00 0.00 176.35 176.54 3dqi s SER 208 N -0.67 0.72 0.09 2.29 1.04 -0.05 -4.94 113.70 112.17 3dqi s SER 208 Ca 0.10 -1.40 0.08 0.00 0.48 0.00 0.00 55.95 55.21 3dqi s SER 208 Cb -0.11 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3dqi s SER 208 CO 0.01 -1.32 -0.20 -0.54 0.98 0.00 0.00 173.24 172.17 3dqi s LYS 209 N -3.08 1.14 -0.33 4.02 -0.14 -1.26 -1.66 119.74 118.43 3dqi s LYS 209 Ca 0.28 -1.08 -0.21 0.00 -1.36 0.00 0.00 55.97 53.60 3dqi s LYS 209 Cb -0.01 -1.34 -0.00 0.00 -1.68 0.00 0.00 37.83 34.80 3dqi s LYS 209 CO 0.18 0.32 0.67 0.34 -0.76 0.00 0.00 175.35 176.10 3dqi s ASP 210 N -1.72 6.51 0.59 2.83 2.15 -1.26 -4.96 116.67 120.81 3dqi s ASP 210 Ca 0.06 0.37 0.30 0.00 0.43 0.00 0.00 52.55 53.70 3dqi s ASP 210 Cb -0.10 -2.35 1.79 0.00 -0.30 0.00 0.00 42.92 41.97 3dqi s ASP 210 CO 0.03 -0.56 2.21 -0.65 -0.17 0.00 0.00 175.17 176.03 3dqi h PRO 211 N 8.29 0.00 -0.70 4.34 0.11 -2.04 -1.24 132.00 140.77 3dqi h PRO 211 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 3dqi h PRO 211 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3dqi h PRO 211 CO 0.84 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.72 3dqi n ASN 212 N -3.80 4.44 -4.50 -2.05 3.02 -1.26 -4.91 115.26 106.20 3dqi n ASN 212 Ca -0.02 -2.25 -0.36 0.00 -0.03 0.00 0.00 54.58 51.93 3dqi n ASN 212 Cb 0.16 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.67 3dqi n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqi s GLU 213 N -1.47 3.75 0.10 3.52 2.56 -0.47 -4.98 118.70 121.71 3dqi s GLU 213 Ca 0.51 -0.44 0.19 0.00 0.00 0.00 0.00 54.97 55.22 3dqi s GLU 213 Cb 0.30 -3.27 -0.10 0.00 2.00 0.00 0.00 34.13 33.06 3dqi s GLU 213 CO 0.29 -0.03 0.88 1.63 -0.56 0.00 0.00 175.26 177.46 3dqi n LYS 214 N 4.45 0.62 -1.47 4.30 5.02 -1.26 -4.87 118.16 124.95 3dqi n LYS 214 Ca -0.16 0.17 -0.30 0.00 -2.02 0.00 0.00 58.31 56.00 3dqi n LYS 214 Cb 0.52 -1.80 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3dqi n LYS 214 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3dqi s ARG 215 N -3.09 2.06 -0.03 1.97 0.52 -1.26 -4.99 118.95 114.13 3dqi s ARG 215 Ca -0.02 0.76 -0.30 0.00 -0.52 0.00 0.00 55.73 55.64 3dqi s ARG 215 Cb 0.09 -1.91 -0.03 0.00 0.52 0.00 0.00 34.95 33.62 3dqi s ARG 215 CO 0.81 -1.66 1.13 0.34 0.02 0.00 0.00 175.30 175.93 3dqi s ASP 216 N -3.76 7.14 0.27 0.23 2.15 -1.26 -4.96 116.67 116.48 3dqi s ASP 216 Ca 0.61 1.77 -0.19 0.00 0.43 0.00 0.00 52.55 55.18 3dqi s ASP 216 Cb -0.15 -2.56 0.01 0.00 -0.30 0.00 0.00 42.92 39.92 3dqi s ASP 216 CO 0.55 -0.49 0.64 -1.38 -0.17 0.00 0.00 175.17 174.33 3dqi s HIS 217 N 1.78 -0.04 -0.09 -5.34 -3.43 -1.26 -0.66 115.29 106.25 3dqi s HIS 217 Ca 0.54 -0.38 -0.05 0.00 -0.80 0.00 0.00 55.06 54.37 3dqi s HIS 217 Cb -0.24 0.55 0.04 0.00 -1.43 0.00 0.00 32.58 31.50 3dqi s HIS 217 CO 0.23 -1.15 0.20 1.41 -2.00 0.00 0.00 174.74 173.43 3dqi s MET 218 N -3.94 0.17 -0.24 -0.38 1.75 0.27 -4.98 119.30 111.96 3dqi s MET 218 Ca 0.14 0.42 -0.10 0.00 -1.25 0.00 0.00 55.69 54.90 3dqi s MET 218 Cb -0.04 -0.09 -0.05 0.00 2.84 0.00 0.00 34.83 37.49 3dqi s MET 218 CO 0.07 -0.13 0.15 0.08 -0.65 0.00 0.00 175.02 174.53 3dqi s VAL 219 N 0.97 5.25 -0.13 10.11 1.01 -0.66 0.18 120.40 137.13 3dqi s VAL 219 Ca -0.07 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.07 3dqi s VAL 219 Cb -0.09 -3.44 0.01 0.00 0.00 0.00 0.00 36.38 32.87 3dqi s VAL 219 CO -0.06 0.35 -0.18 -0.22 0.00 0.00 0.00 175.10 175.00 3dqi s LEU 220 N 1.04 1.89 -0.17 3.92 2.96 0.16 -0.88 118.68 127.61 3dqi s LEU 220 Ca 0.07 -0.52 0.00 0.00 -0.22 0.00 0.00 54.13 53.47 3dqi s LEU 220 Cb -0.14 -1.26 0.00 0.00 0.50 0.00 0.00 46.19 45.30 3dqi s LEU 220 CO 0.04 0.03 -0.16 -0.22 -1.32 0.00 0.00 176.35 174.73 3dqi s LEU 221 N 1.00 2.41 -0.01 -0.68 2.96 -0.43 -1.31 118.68 122.62 3dqi s LEU 221 Ca -0.05 -0.52 0.05 0.00 -0.22 0.00 0.00 54.13 53.39 3dqi s LEU 221 Cb -0.15 -1.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.98 3dqi s LEU 221 CO -0.04 0.05 -0.16 -1.61 -1.32 0.00 0.00 176.35 173.28 3dqi s GLU 222 N 1.03 1.27 -0.06 1.98 2.02 -0.67 -0.44 118.70 123.82 3dqi s GLU 222 Ca -0.01 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.47 3dqi s GLU 222 Cb -0.15 -1.23 -0.01 0.00 0.10 0.00 0.00 34.13 32.85 3dqi s GLU 222 CO -0.04 0.34 -0.23 -0.06 0.02 0.00 0.00 175.26 175.29 3dqi s PHE 223 N -0.37 2.25 -0.05 1.61 0.08 -0.26 -1.00 117.98 120.24 3dqi s PHE 223 Ca 0.06 -0.71 -0.02 0.00 0.12 0.00 0.00 56.93 56.38 3dqi s PHE 223 Cb -0.06 -1.49 0.04 0.00 -0.57 0.00 0.00 43.02 40.94 3dqi s PHE 223 CO -0.01 -0.24 0.09 0.08 -0.10 0.00 0.00 175.22 175.05 3dqi s VAL 224 N -0.01 -0.14 -0.08 -0.44 1.01 0.63 -1.62 120.40 119.75 3dqi s VAL 224 Ca -0.06 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.28 3dqi s VAL 224 Cb -0.14 -0.19 0.02 0.00 0.00 0.00 0.00 36.38 36.07 3dqi s VAL 224 CO 0.04 0.15 -0.09 -0.89 0.00 0.00 0.00 175.10 174.31 3dqi s THR 225 N 1.96 0.95 0.45 3.92 2.01 -0.93 -0.59 115.64 123.40 3dqi s THR 225 Ca 0.01 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 61.47 3dqi s THR 225 Cb -0.12 -0.93 -0.08 0.00 0.01 0.00 0.00 72.50 71.38 3dqi s THR 225 CO -0.04 0.33 1.10 0.00 -0.69 0.00 0.00 174.62 175.32 3dqi s ALA 226 N 1.14 2.98 0.38 7.40 0.00 -0.16 -0.51 121.76 132.99 3dqi s ALA 226 Ca -0.06 0.79 -0.11 0.00 0.00 0.00 0.00 51.96 52.57 3dqi s ALA 226 Cb -0.14 -3.32 0.04 0.00 0.00 0.00 0.00 23.12 19.70 3dqi s ALA 226 CO -0.02 -0.44 0.70 0.00 0.00 0.00 0.00 175.76 176.00 3dqi s ALA 227 N -1.67 -0.22 0.00 0.00 0.00 0.31 -4.50 121.76 115.68 3dqi s ALA 227 Ca 0.63 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.56 3dqi s ALA 227 Cb -0.24 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.70 3dqi s ALA 227 CO 0.29 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.54 3dqi n GLY 228 N -0.55 0.84 2.85 0.00 0.00 -1.26 -1.37 105.19 105.70 3dqi n GLY 228 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 3dqi n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqi s ILE 229 N -2.00 1.77 -2.00 -0.61 1.01 -1.26 -4.78 121.20 113.32 3dqi s ILE 229 Ca 0.00 -2.39 0.28 0.00 0.00 0.00 0.00 60.65 58.53 3dqi s ILE 229 Cb 0.00 -2.27 0.79 0.00 0.01 0.00 0.00 42.46 40.98 3dqi s ILE 229 CO 0.00 -0.74 2.00 0.35 0.00 0.00 0.00 174.94 176.55