#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dq6 h PRO -1 N 0.00 0.14 -0.35 -0.67 0.11 -2.05 0.25 132.00 129.43 3dq6 h PRO -1 Ca 0.00 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.08 3dq6 h PRO -1 Cb 0.00 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.06 3dq6 h PRO -1 CO 0.00 0.09 0.14 1.98 -0.21 0.00 0.00 178.00 180.00 3dq6 h MET 0 N 0.14 0.53 -0.05 1.05 1.85 -2.02 -1.32 114.93 115.10 3dq6 h MET 0 Ca 0.32 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.31 3dq6 h MET 0 Cb 1.06 -0.08 -0.00 0.00 0.43 0.00 0.00 31.60 33.01 3dq6 h MET 0 CO -0.04 0.52 0.02 0.28 -0.40 0.00 0.00 176.91 177.29 3dq6 h VAL 1 N 0.42 1.12 -0.58 -5.77 2.07 -1.40 -3.05 116.25 109.06 3dq6 h VAL 1 Ca 0.12 -0.36 0.11 0.00 0.82 0.00 0.00 66.70 67.39 3dq6 h VAL 1 Cb 0.19 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.20 3dq6 h VAL 1 CO -0.01 0.10 0.39 -1.28 0.02 0.00 0.00 177.57 176.79 3dq6 h SER 2 N -0.06 0.29 -0.08 0.57 0.87 -0.63 0.14 113.55 114.66 3dq6 h SER 2 Ca 0.02 0.01 -0.01 0.00 -1.23 0.00 0.00 61.79 60.58 3dq6 h SER 2 Cb 0.14 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 62.05 3dq6 h SER 2 CO -0.00 0.17 0.02 0.50 -0.53 0.00 0.00 176.83 176.99 3dq6 h LYS 3 N 0.32 0.12 0.00 2.24 3.64 -1.12 0.98 116.57 122.75 3dq6 h LYS 3 Ca 0.27 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.57 3dq6 h LYS 3 Cb 0.63 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.42 3dq6 h LYS 3 CO -0.06 0.28 -0.26 0.78 -2.27 0.00 0.00 179.45 177.91 3dq6 h GLY 4 N -0.06 0.00 2.00 5.01 0.00 -1.53 -1.34 103.07 107.15 3dq6 h GLY 4 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.27 3dq6 h GLY 4 CO -0.00 0.00 -0.41 -2.09 0.00 0.00 0.00 176.54 174.04 3dq6 h GLU 5 N 0.00 0.00 0.06 4.80 4.81 -0.18 0.31 114.58 124.38 3dq6 h GLU 5 Ca -0.00 0.00 -0.30 0.00 -0.13 0.00 0.00 59.36 58.93 3dq6 h GLU 5 Cb 0.97 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 3dq6 h GLU 5 CO 0.03 0.41 -1.59 1.49 -0.73 0.00 0.00 179.01 178.62 3dq6 h GLU 6 N 0.00 0.12 -0.01 1.92 4.81 0.15 0.82 114.58 122.39 3dq6 h GLU 6 Ca -0.00 -0.21 -0.13 0.00 -0.13 0.00 0.00 59.36 58.88 3dq6 h GLU 6 Cb 1.09 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3dq6 h GLU 6 CO 0.05 0.88 -0.61 -0.07 -0.73 0.00 0.00 179.01 178.53 3dq6 h LEU 7 N 0.03 0.04 -1.79 1.64 3.38 -1.00 -3.35 115.31 114.27 3dq6 h LEU 7 Ca -0.25 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3dq6 h LEU 7 Cb 1.98 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.72 3dq6 h LEU 7 CO 0.12 0.64 0.00 0.49 0.09 0.00 0.00 178.44 179.78 3dq6 n PHE 8 N -3.82 0.00 0.30 1.13 3.01 0.11 -4.69 117.46 113.50 3dq6 n PHE 8 Ca -0.01 -0.20 0.19 0.00 1.01 0.00 0.00 57.45 58.44 3dq6 n PHE 8 Cb 0.61 -0.02 0.87 0.00 -0.01 0.00 0.00 39.48 40.93 3dq6 n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dq6 h THR 9 N 0.04 0.06 -3.31 4.37 1.35 0.55 -3.36 112.91 112.62 3dq6 h THR 9 Ca 0.00 -0.36 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3dq6 h THR 9 Cb 0.20 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3dq6 h THR 9 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3dq6 n GLY 10 N -0.39 4.20 3.72 5.82 0.00 -1.26 -4.74 105.19 112.53 3dq6 n GLY 10 Ca -0.01 -2.08 -0.41 0.00 0.00 0.00 0.00 46.02 43.52 3dq6 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dq6 s VAL 11 N 1.07 4.49 -0.09 1.61 1.01 -1.26 -4.32 120.40 122.91 3dq6 s VAL 11 Ca 0.00 1.94 0.03 0.00 0.00 0.00 0.00 61.98 63.94 3dq6 s VAL 11 Cb 0.00 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.15 3dq6 s VAL 11 CO 0.00 0.24 -0.17 -0.69 0.00 0.00 0.00 175.10 174.48 3dq6 s VAL 12 N 0.43 1.56 0.59 2.92 1.01 0.81 -4.92 120.40 122.79 3dq6 s VAL 12 Ca 0.50 -0.71 -0.18 0.00 0.00 0.00 0.00 61.98 61.60 3dq6 s VAL 12 Cb -0.24 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.71 3dq6 s VAL 12 CO 0.30 0.45 1.13 -2.84 0.00 0.00 0.00 175.10 174.13 3dq6 s PRO 13 N 0.70 3.15 -0.00 2.72 0.02 -1.26 -0.46 135.00 139.86 3dq6 s PRO 13 Ca -0.13 1.54 0.03 0.00 0.02 0.00 0.00 61.00 62.46 3dq6 s PRO 13 Cb -0.16 -1.98 -0.01 0.00 0.02 0.00 0.00 34.50 32.37 3dq6 s PRO 13 CO 0.03 -1.00 -0.09 0.42 -0.33 0.00 0.00 177.00 176.03 3dq6 s ILE 14 N -1.96 0.71 -0.01 2.83 1.01 0.43 -0.92 121.20 123.28 3dq6 s ILE 14 Ca 0.71 -0.42 0.05 0.00 0.00 0.00 0.00 60.65 60.99 3dq6 s ILE 14 Cb -0.23 -0.60 -0.01 0.00 0.01 0.00 0.00 42.46 41.63 3dq6 s ILE 14 CO 0.32 0.17 -0.16 -0.22 0.00 0.00 0.00 174.94 175.06 3dq6 s LEU 15 N -0.28 2.05 -0.02 2.97 2.96 -0.63 -1.82 118.68 123.90 3dq6 s LEU 15 Ca 0.03 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.66 3dq6 s LEU 15 Cb -0.04 -0.80 0.00 0.00 0.50 0.00 0.00 46.19 45.86 3dq6 s LEU 15 CO -0.00 0.18 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.43 3dq6 s VAL 16 N -0.42 0.74 -0.04 1.68 1.01 -0.36 -0.68 120.40 122.33 3dq6 s VAL 16 Ca 0.06 -0.34 -0.00 0.00 0.00 0.00 0.00 61.98 61.69 3dq6 s VAL 16 Cb -0.06 -0.66 0.03 0.00 0.00 0.00 0.00 36.38 35.69 3dq6 s VAL 16 CO -0.00 0.23 0.02 -1.61 0.00 0.00 0.00 175.10 173.73 3dq6 s GLU 17 N 0.16 0.26 -0.03 2.72 0.41 -0.66 0.18 118.70 121.74 3dq6 s GLU 17 Ca -0.02 0.15 0.04 0.00 -0.41 0.00 0.00 54.97 54.73 3dq6 s GLU 17 Cb -0.08 -0.56 -0.00 0.00 -1.78 0.00 0.00 34.13 31.70 3dq6 s GLU 17 CO 0.00 -0.21 -0.14 -1.17 -0.49 0.00 0.00 175.26 173.26 3dq6 s LEU 18 N 1.44 1.91 -0.14 1.80 0.20 -0.16 0.08 118.68 123.82 3dq6 s LEU 18 Ca -0.04 -0.27 0.01 0.00 0.69 0.00 0.00 54.13 54.53 3dq6 s LEU 18 Cb -0.13 -0.76 0.00 0.00 -0.43 0.00 0.00 46.19 44.87 3dq6 s LEU 18 CO -0.03 0.13 -0.18 -1.81 -0.29 0.00 0.00 176.35 174.17 3dq6 s ASP 19 N -0.03 3.44 0.22 3.68 1.01 -0.64 -1.16 116.67 123.18 3dq6 s ASP 19 Ca -0.00 -0.51 0.08 0.00 0.71 0.00 0.00 52.55 52.82 3dq6 s ASP 19 Cb -0.09 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.29 3dq6 s ASP 19 CO 0.01 0.10 -0.13 -0.83 0.21 0.00 0.00 175.17 174.53 3dq6 s GLY 20 N 0.69 1.50 -0.25 0.21 0.00 0.26 -0.98 107.32 108.75 3dq6 s GLY 20 Ca -0.09 -1.70 -0.02 0.00 0.00 0.00 0.00 44.72 42.90 3dq6 s GLY 20 CO 0.02 -1.77 0.42 -0.35 0.00 0.00 0.00 173.10 171.41 3dq6 s ASP 21 N -3.34 -0.06 -0.21 1.64 -1.08 -0.84 -1.74 116.67 111.04 3dq6 s ASP 21 Ca 0.24 0.34 -0.02 0.00 -0.52 0.00 0.00 52.55 52.59 3dq6 s ASP 21 Cb -0.00 1.31 0.01 0.00 -1.46 0.00 0.00 42.92 42.78 3dq6 s ASP 21 CO 0.08 -0.29 -0.10 -0.69 0.52 0.00 0.00 175.17 174.69 3dq6 s VAL 22 N 2.60 2.81 -1.51 1.11 1.01 -0.39 0.12 120.40 126.14 3dq6 s VAL 22 Ca 0.14 -0.78 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 3dq6 s VAL 22 Cb -0.15 -2.29 0.07 0.00 0.00 0.00 0.00 36.38 34.01 3dq6 s VAL 22 CO -0.17 0.40 0.83 0.59 0.00 0.00 0.00 175.10 176.75 3dq6 n ASN 23 N 4.70 -3.33 0.00 3.32 4.13 -0.35 -1.13 115.26 122.60 3dq6 n ASN 23 Ca -0.19 -0.86 0.00 0.00 1.68 0.00 0.00 54.58 55.21 3dq6 n ASN 23 Cb 0.50 -3.59 0.00 0.00 -1.54 0.00 0.00 39.78 35.14 3dq6 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dq6 n GLY 24 N -1.65 0.38 3.60 7.41 0.00 -1.26 -4.97 105.19 108.69 3dq6 n GLY 24 Ca -0.05 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.54 3dq6 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dq6 s HIS 25 N -1.83 2.49 0.13 1.61 3.76 -0.29 -5.03 115.29 116.13 3dq6 s HIS 25 Ca 0.00 0.65 -0.17 0.00 -0.15 0.00 0.00 55.06 55.39 3dq6 s HIS 25 Cb 0.00 -4.36 -0.07 0.00 1.11 0.00 0.00 32.58 29.26 3dq6 s HIS 25 CO 0.00 -1.80 0.58 0.15 -0.85 0.00 0.00 174.74 172.83 3dq6 s LYS 26 N 4.90 4.10 0.09 1.40 1.02 -1.26 -1.27 119.74 128.71 3dq6 s LYS 26 Ca 0.57 0.64 -0.21 0.00 0.02 0.00 0.00 55.97 56.98 3dq6 s LYS 26 Cb -0.11 -3.03 0.05 0.00 -0.52 0.00 0.00 37.83 34.22 3dq6 s LYS 26 CO 0.32 0.52 0.51 -0.59 -0.92 0.00 0.00 175.35 175.18 3dq6 s PHE 27 N -1.35 -0.40 0.09 3.18 -0.71 -0.71 -4.97 117.98 113.12 3dq6 s PHE 27 Ca 0.36 0.30 0.07 0.00 -1.04 0.00 0.00 56.93 56.62 3dq6 s PHE 27 Cb -0.17 0.37 -0.03 0.00 -1.21 0.00 0.00 43.02 41.98 3dq6 s PHE 27 CO 0.19 -0.70 -0.18 -1.12 -1.34 0.00 0.00 175.22 172.07 3dq6 s SER 28 N -2.34 2.20 -0.00 1.98 0.01 -1.26 -0.57 113.70 113.72 3dq6 s SER 28 Ca -0.02 -0.67 0.02 0.00 1.31 0.00 0.00 55.95 56.58 3dq6 s SER 28 Cb -0.00 -0.10 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 3dq6 s SER 28 CO -0.07 -0.00 -0.06 -0.69 0.41 0.00 0.00 173.24 172.83 3dq6 s VAL 29 N -1.28 0.46 -0.02 3.43 1.01 -0.31 -1.50 120.40 122.19 3dq6 s VAL 29 Ca 0.04 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.83 3dq6 s VAL 29 Cb -0.10 -0.39 -0.03 0.00 0.00 0.00 0.00 36.38 35.87 3dq6 s VAL 29 CO 0.04 0.13 -0.19 -0.44 0.00 0.00 0.00 175.10 174.64 3dq6 s SER 30 N -0.13 3.66 0.06 3.32 0.01 -0.57 -0.99 113.70 119.07 3dq6 s SER 30 Ca 0.02 -0.34 0.04 0.00 1.31 0.00 0.00 55.95 56.98 3dq6 s SER 30 Cb -0.02 -0.62 -0.03 0.00 0.21 0.00 0.00 66.02 65.56 3dq6 s SER 30 CO -0.00 0.32 -0.13 -0.83 0.41 0.00 0.00 173.24 173.01 3dq6 s GLY 31 N -0.87 0.77 0.04 3.44 0.00 0.13 -0.42 107.32 110.41 3dq6 s GLY 31 Ca 0.12 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.92 3dq6 s GLY 31 CO 0.01 -0.94 -0.04 -0.54 0.00 0.00 0.00 173.10 171.59 3dq6 s GLU 32 N -1.61 0.50 0.00 2.90 2.02 -0.56 -1.22 118.70 120.74 3dq6 s GLU 32 Ca -0.03 -0.92 0.00 0.00 0.02 0.00 0.00 54.97 54.03 3dq6 s GLU 32 Cb -0.10 0.05 0.00 0.00 0.10 0.00 0.00 34.13 34.18 3dq6 s GLU 32 CO 0.02 -0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.65 3dq6 n GLY 33 N 0.88 -0.64 3.20 -1.39 0.00 -0.76 -1.33 105.19 105.16 3dq6 n GLY 33 Ca -0.19 -0.54 -0.11 0.00 0.00 0.00 0.00 46.02 45.18 3dq6 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dq6 s GLU 34 N -1.07 0.70 0.06 1.61 -1.05 -0.32 -0.43 118.70 118.20 3dq6 s GLU 34 Ca 0.00 -0.54 0.06 0.00 -0.15 0.00 0.00 54.97 54.34 3dq6 s GLU 34 Cb 0.00 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 33.96 3dq6 s GLU 34 CO 0.00 -0.21 -0.16 0.20 0.95 0.00 0.00 175.26 176.04 3dq6 s GLY 35 N -1.95 0.94 -0.44 -3.83 0.00 0.39 -1.74 107.32 100.69 3dq6 s GLY 35 Ca -0.07 -0.99 0.03 0.00 0.00 0.00 0.00 44.72 43.69 3dq6 s GLY 35 CO -0.02 -0.99 0.30 -0.35 0.00 0.00 0.00 173.10 172.04 3dq6 s ASP 36 N -1.49 2.89 0.57 1.64 -1.08 0.16 -0.13 116.67 119.22 3dq6 s ASP 36 Ca 0.02 -2.82 0.25 0.00 -0.52 0.00 0.00 52.55 49.48 3dq6 s ASP 36 Cb -0.09 -0.75 1.63 0.00 -1.46 0.00 0.00 42.92 42.24 3dq6 s ASP 36 CO 0.02 -0.22 2.21 0.00 0.52 0.00 0.00 175.17 177.70 3dq6 h ALA 37 N 6.27 1.71 -0.59 3.66 0.00 -1.75 -1.53 119.26 127.02 3dq6 h ALA 37 Ca 0.12 -0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3dq6 h ALA 37 Cb 0.91 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.67 3dq6 h ALA 37 CO 0.42 -0.02 0.39 1.15 0.00 0.00 0.00 179.25 181.19 3dq6 h THR 38 N 0.00 0.94 -0.17 0.00 2.02 -1.85 -2.23 112.91 111.62 3dq6 h THR 38 Ca 0.01 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3dq6 h THR 38 Cb 0.03 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 3dq6 h THR 38 CO -0.00 0.09 0.00 -1.22 0.37 0.00 0.00 175.52 174.76 3dq6 n TYR 39 N -4.47 0.21 -1.17 3.16 4.01 -0.65 -4.92 117.16 113.33 3dq6 n TYR 39 Ca 0.09 -0.23 -0.06 0.00 -0.16 0.00 0.00 57.90 57.55 3dq6 n TYR 39 Cb 0.31 -0.01 -0.02 0.00 -0.31 0.00 0.00 39.34 39.30 3dq6 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dq6 n GLY 40 N 0.59 0.80 3.69 2.72 0.00 -0.78 -4.75 105.19 107.46 3dq6 n GLY 40 Ca 0.09 -0.45 -0.35 0.00 0.00 0.00 0.00 46.02 45.31 3dq6 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq6 s LYS 41 N -2.11 3.76 -0.02 1.61 2.20 -0.80 -0.57 119.74 123.81 3dq6 s LYS 41 Ca 0.00 -0.31 0.03 0.00 -0.36 0.00 0.00 55.97 55.33 3dq6 s LYS 41 Cb 0.00 -3.16 -0.00 0.00 -1.51 0.00 0.00 37.83 33.16 3dq6 s LYS 41 CO 0.00 0.42 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.80 3dq6 s LEU 42 N -0.05 1.86 -0.08 5.43 1.02 -0.55 -0.67 118.68 125.64 3dq6 s LEU 42 Ca 0.07 -0.21 0.02 0.00 0.02 0.00 0.00 54.13 54.03 3dq6 s LEU 42 Cb -0.12 -0.61 0.01 0.00 0.02 0.00 0.00 46.19 45.49 3dq6 s LEU 42 CO 0.01 0.10 -0.14 -0.89 0.02 0.00 0.00 176.35 175.44 3dq6 s THR 43 N 0.06 1.34 -0.02 5.49 2.01 -0.71 -1.87 115.64 121.93 3dq6 s THR 43 Ca -0.01 -0.58 -0.10 0.00 0.31 0.00 0.00 61.69 61.31 3dq6 s THR 43 Cb -0.08 -1.21 0.01 0.00 0.01 0.00 0.00 72.50 71.23 3dq6 s THR 43 CO 0.00 0.40 0.22 -0.76 -0.69 0.00 0.00 174.62 173.80 3dq6 s LEU 44 N 0.75 1.22 -0.09 4.42 1.43 -0.49 -1.18 118.68 124.73 3dq6 s LEU 44 Ca -0.12 0.05 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 3dq6 s LEU 44 Cb -0.16 0.90 0.02 0.00 0.03 0.00 0.00 46.19 46.98 3dq6 s LEU 44 CO 0.03 -0.33 -0.11 -0.75 0.23 0.00 0.00 176.35 175.42 3dq6 s LYS 45 N -1.01 1.73 -0.05 1.70 2.20 -0.44 -0.66 119.74 123.21 3dq6 s LYS 45 Ca -0.11 -0.39 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 3dq6 s LYS 45 Cb -0.05 -1.54 -0.03 0.00 -1.51 0.00 0.00 37.83 34.70 3dq6 s LYS 45 CO 0.02 -0.08 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.79 3dq6 s PHE 46 N 1.04 2.89 -0.06 4.03 0.08 0.57 -1.49 117.98 125.05 3dq6 s PHE 46 Ca -0.07 -0.02 0.04 0.00 0.12 0.00 0.00 56.93 57.00 3dq6 s PHE 46 Cb -0.15 -1.67 -0.00 0.00 -0.57 0.00 0.00 43.02 40.63 3dq6 s PHE 46 CO -0.01 0.32 -0.18 0.42 -0.10 0.00 0.00 175.22 175.67 3dq6 s ILE 47 N -0.85 1.55 -0.25 0.64 1.01 0.44 -1.42 121.20 122.32 3dq6 s ILE 47 Ca 0.13 -0.77 -0.27 0.00 0.00 0.00 0.00 60.65 59.75 3dq6 s ILE 47 Cb -0.11 -1.34 0.01 0.00 0.01 0.00 0.00 42.46 41.03 3dq6 s ILE 47 CO 0.03 0.44 0.95 0.00 0.00 0.00 0.00 174.94 176.37 3dq6 n THR 49 N 5.39 0.00 0.69 0.00 -2.24 -0.56 -3.84 114.28 113.73 3dq6 n THR 49 Ca 0.09 -0.15 0.09 0.00 -2.27 0.00 0.00 64.05 61.81 3dq6 n THR 49 Cb 0.47 0.33 0.07 0.00 -2.10 0.00 0.00 70.33 69.10 3dq6 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dq6 n THR 50 N -0.46 0.02 0.00 4.28 -2.24 -1.26 -4.96 114.28 109.66 3dq6 n THR 50 Ca 0.15 -0.51 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 3dq6 n THR 50 Cb 0.33 1.34 0.00 0.00 -2.10 0.00 0.00 70.33 69.90 3dq6 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dq6 n GLY 51 N 0.96 0.23 3.75 3.38 0.00 -1.25 -5.01 105.19 107.25 3dq6 n GLY 51 Ca 0.10 -1.36 -0.40 0.00 0.00 0.00 0.00 46.02 44.36 3dq6 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq6 s LYS 52 N 0.00 4.66 -0.02 1.61 2.20 -1.26 -4.46 119.74 122.48 3dq6 s LYS 52 Ca 0.00 1.31 -0.30 0.00 -0.36 0.00 0.00 55.97 56.62 3dq6 s LYS 52 Cb 0.00 -3.32 -0.04 0.00 -1.51 0.00 0.00 37.83 32.96 3dq6 s LYS 52 CO 0.00 0.39 1.24 -1.17 -0.36 0.00 0.00 175.35 175.45 3dq6 s LEU 53 N -0.58 4.30 0.00 5.43 2.96 -1.26 -4.90 118.68 124.63 3dq6 s LEU 53 Ca 0.41 1.91 0.19 0.00 -0.22 0.00 0.00 54.13 56.42 3dq6 s LEU 53 Cb -0.23 -3.56 1.10 0.00 0.50 0.00 0.00 46.19 44.00 3dq6 s LEU 53 CO 0.28 -0.58 1.71 -0.81 -1.32 0.00 0.00 176.35 175.63 3dq6 n PRO 54 N 4.96 1.05 -4.20 0.98 -0.04 -1.26 -4.79 135.00 131.71 3dq6 n PRO 54 Ca 0.11 -0.08 -0.12 0.00 -0.04 0.00 0.00 63.50 63.38 3dq6 n PRO 54 Cb 0.46 -1.30 -0.10 0.00 -0.04 0.00 0.00 33.50 32.51 3dq6 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dq6 s VAL 55 N -1.99 0.60 0.26 0.52 -7.23 -1.26 -4.68 120.40 106.63 3dq6 s VAL 55 Ca 0.29 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.21 3dq6 s VAL 55 Cb 0.13 -1.92 -0.10 0.00 0.56 0.00 0.00 36.38 35.06 3dq6 s VAL 55 CO 0.22 -0.65 1.29 -2.84 -0.31 0.00 0.00 175.10 172.81 3dq6 s PRO 56 N -3.90 4.40 0.26 4.82 0.02 -1.26 -4.93 135.00 134.41 3dq6 s PRO 56 Ca 0.19 2.10 -0.02 0.00 0.02 0.00 0.00 61.00 63.28 3dq6 s PRO 56 Cb 0.06 -3.14 0.50 0.00 0.02 0.00 0.00 34.50 31.93 3dq6 s PRO 56 CO -0.00 -0.17 1.77 -1.49 -0.33 0.00 0.00 177.00 176.78 3dq6 h TRP 57 N 4.38 0.78 -0.12 6.54 4.06 -1.96 -1.41 115.95 128.22 3dq6 h TRP 57 Ca -0.47 0.03 0.04 0.00 2.06 0.00 0.00 58.89 60.55 3dq6 h TRP 57 Cb 1.22 -0.22 -0.00 0.00 -1.00 0.00 0.00 29.16 29.15 3dq6 h TRP 57 CO 0.59 0.22 0.11 -1.35 -3.56 0.00 0.00 178.44 174.45 3dq6 h PRO 58 N 0.66 0.00 0.00 0.49 0.11 -1.90 -0.23 132.00 131.13 3dq6 h PRO 58 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3dq6 h PRO 58 Cb 0.58 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.69 3dq6 h PRO 58 CO -0.33 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 179.25 3dq6 h THR 59 N 0.00 0.00 0.00 -1.15 1.35 -1.63 -2.92 112.91 108.55 3dq6 h THR 59 Ca 0.06 -0.21 0.00 0.00 -0.55 0.00 0.00 66.41 65.71 3dq6 h THR 59 Cb 0.28 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 3dq6 h THR 59 CO -0.00 0.00 -1.02 0.18 -0.25 0.00 0.00 175.52 174.43 3dq6 n LEU 60 N -2.30 0.84 -0.14 3.87 4.77 -0.10 -4.62 117.00 119.32 3dq6 n LEU 60 Ca 0.01 -0.37 -0.04 0.00 -0.03 0.00 0.00 56.01 55.59 3dq6 n LEU 60 Cb 0.20 -0.04 0.03 0.00 -2.33 0.00 0.00 43.42 41.28 3dq6 n LEU 60 CO 0.18 0.20 0.79 0.58 -1.33 0.00 0.00 177.39 177.82 3dq6 h VAL 61 N 0.00 0.57 0.00 4.08 2.07 -1.48 -0.34 116.25 121.15 3dq6 h VAL 61 Ca 0.00 -0.01 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3dq6 h VAL 61 Cb 0.55 0.54 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 3dq6 h VAL 61 CO 0.00 0.00 -0.22 0.71 0.02 0.00 0.00 177.57 178.08 3dq6 h THR 62 N 0.02 0.81 0.03 2.57 1.35 -1.81 -3.00 112.91 112.88 3dq6 h THR 62 Ca 0.22 -0.87 -0.16 0.00 -0.55 0.00 0.00 66.41 65.05 3dq6 h THR 62 Cb 0.34 1.52 0.01 0.00 -1.73 0.00 0.00 68.15 68.29 3dq6 h THR 62 CO -0.45 0.22 -0.65 0.74 -0.25 0.00 0.00 175.52 175.13 3dq6 h THR 63 N 0.00 1.45 0.00 6.82 2.02 -1.53 -3.45 112.91 118.22 3dq6 h THR 63 Ca -0.00 -2.18 -0.10 0.00 0.77 0.00 0.00 66.41 64.90 3dq6 h THR 63 Cb 0.51 2.73 -0.01 0.00 -1.74 0.00 0.00 68.15 69.63 3dq6 h THR 63 CO 0.03 0.63 0.73 0.49 0.37 0.00 0.00 175.52 177.76 3dq6 n PHE 64 N -4.20 0.22 0.00 3.16 3.72 -0.26 -5.06 117.46 115.04 3dq6 n PHE 64 Ca -0.11 -0.69 0.00 0.00 -0.05 0.00 0.00 57.45 56.60 3dq6 n PHE 64 Cb 0.70 -0.88 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3dq6 n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dq6 n LEU 68 N 3.38 0.00 0.23 4.37 4.77 -1.26 -5.03 117.00 123.46 3dq6 n LEU 68 Ca 0.16 0.00 0.16 0.00 -0.03 0.00 0.00 56.01 56.30 3dq6 n LEU 68 Cb 0.21 0.00 0.85 0.00 -2.33 0.00 0.00 43.42 42.15 3dq6 n LEU 68 CO 0.33 0.00 0.98 0.24 -1.33 0.00 0.00 177.39 177.61 3dq6 h MET 69 N 0.00 0.00 0.00 3.23 2.86 -1.99 -1.20 114.93 117.83 3dq6 h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dq6 h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dq6 h MET 69 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3dq6 n PHE 71 N -2.42 0.00 -1.70 0.00 3.72 -0.45 -4.69 117.46 111.91 3dq6 n PHE 71 Ca 0.00 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.03 3dq6 n PHE 71 Cb 0.16 -0.04 0.06 0.00 -0.94 0.00 0.00 39.48 38.72 3dq6 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dq6 n ALA 72 N -0.52 0.96 -2.55 4.37 0.00 -0.75 -4.11 120.51 117.92 3dq6 n ALA 72 Ca 0.20 0.02 -0.42 0.00 0.00 0.00 0.00 53.44 53.24 3dq6 n ALA 72 Cb 0.25 -2.27 -0.07 0.00 0.00 0.00 0.00 19.45 17.35 3dq6 n ALA 72 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 3dq6 s ARG 73 N -3.13 3.52 -0.25 0.00 3.52 -0.19 -4.78 118.95 117.65 3dq6 s ARG 73 Ca 0.79 -0.17 -0.14 0.00 -0.13 0.00 0.00 55.73 56.08 3dq6 s ARG 73 Cb -0.40 -3.86 -0.04 0.00 -1.56 0.00 0.00 34.95 29.10 3dq6 s ARG 73 CO 0.43 -0.79 0.32 0.71 -0.81 0.00 0.00 175.30 175.17 3dq6 s TYR 74 N 2.61 3.27 0.76 5.12 1.51 -1.26 -0.39 117.35 128.97 3dq6 s TYR 74 Ca 0.21 0.38 -0.15 0.00 -1.01 0.00 0.00 57.07 56.50 3dq6 s TYR 74 Cb -0.15 -2.49 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 3dq6 s TYR 74 CO 0.15 -0.14 1.18 -2.30 -1.11 0.00 0.00 175.55 173.34 3dq6 n PRO 75 N 4.99 0.46 -0.32 -1.71 -0.02 -1.26 -4.74 135.00 132.40 3dq6 n PRO 75 Ca -0.10 0.23 0.11 0.00 -2.02 0.00 0.00 63.50 61.71 3dq6 n PRO 75 Cb 0.51 -2.42 0.32 0.00 -0.02 0.00 0.00 33.50 31.89 3dq6 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dq6 h ASP 76 N -0.46 0.78 0.43 2.55 3.58 -2.00 0.12 116.42 121.42 3dq6 h ASP 76 Ca -0.48 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.03 3dq6 h ASP 76 Cb 1.31 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 42.27 3dq6 h ASP 76 CO 0.48 0.37 0.00 1.12 -2.88 0.00 0.00 179.24 178.33 3dq6 h HIS 77 N 0.82 0.00 -0.31 0.28 2.07 -1.98 -2.94 115.15 113.08 3dq6 h HIS 77 Ca 0.50 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 58.02 3dq6 h HIS 77 Cb 0.69 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.67 3dq6 h HIS 77 CO -0.00 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.53 3dq6 n MET 78 N -2.49 2.88 0.26 5.12 2.81 0.39 -4.72 117.12 121.36 3dq6 n MET 78 Ca -0.00 -2.06 0.11 0.00 -1.81 0.00 0.00 57.70 53.93 3dq6 n MET 78 Cb 0.15 -1.29 0.68 0.00 -0.71 0.00 0.00 33.22 32.06 3dq6 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dq6 h LYS 79 N 1.84 0.00 0.00 0.03 1.57 -1.33 -0.27 116.57 118.41 3dq6 h LYS 79 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dq6 h LYS 79 Cb 0.76 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3dq6 h LYS 79 CO 0.01 0.12 0.00 1.04 -0.57 0.00 0.00 179.45 180.05 3dq6 n GLN 80 N -3.90 0.07 -0.16 3.15 6.02 -1.26 -2.87 117.38 118.42 3dq6 n GLN 80 Ca -0.02 0.27 0.07 0.00 -0.01 0.00 0.00 57.00 57.30 3dq6 n GLN 80 Cb 0.21 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.12 3dq6 n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dq6 n HIS 81 N -1.40 0.42 -2.89 1.08 8.25 -0.11 -4.68 115.22 115.88 3dq6 n HIS 81 Ca 0.03 -0.39 -0.44 0.00 -0.26 0.00 0.00 57.72 56.67 3dq6 n HIS 81 Cb 0.10 -0.02 -0.01 0.00 1.12 0.00 0.00 29.99 31.18 3dq6 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dq6 s ASP 82 N -1.02 6.82 0.26 0.41 -1.08 -1.14 -4.54 116.67 116.39 3dq6 s ASP 82 Ca 0.25 -2.43 -0.03 0.00 -0.52 0.00 0.00 52.55 49.82 3dq6 s ASP 82 Cb 0.13 -2.42 0.33 0.00 -1.46 0.00 0.00 42.92 39.50 3dq6 s ASP 82 CO 0.18 -0.96 1.80 0.15 0.52 0.00 0.00 175.17 176.85 3dq6 h PHE 83 N 8.11 0.93 -0.10 -5.34 3.57 -1.89 -2.95 116.94 119.27 3dq6 h PHE 83 Ca 0.24 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 3dq6 h PHE 83 Cb 0.95 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 3dq6 h PHE 83 CO 1.16 0.78 -0.02 0.74 -2.23 0.00 0.00 178.31 178.74 3dq6 h PHE 84 N 0.87 0.22 0.00 0.41 0.04 -1.89 -1.26 116.94 115.33 3dq6 h PHE 84 Ca 0.19 -0.05 -0.13 0.00 2.80 0.00 0.00 57.97 60.78 3dq6 h PHE 84 Cb 0.32 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.39 3dq6 h PHE 84 CO 0.02 0.50 -0.63 0.87 -0.60 0.00 0.00 178.31 178.47 3dq6 h LYS 85 N -0.12 0.00 -0.00 1.51 1.57 -1.84 -3.24 116.57 114.45 3dq6 h LYS 85 Ca 0.03 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3dq6 h LYS 85 Cb 0.43 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.73 3dq6 h LYS 85 CO 0.01 0.63 -0.13 0.66 -0.57 0.00 0.00 179.45 180.06 3dq6 h SER 86 N 0.00 0.01 0.75 0.86 4.64 -1.06 -2.10 113.55 116.65 3dq6 h SER 86 Ca -0.01 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dq6 h SER 86 Cb 1.20 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3dq6 h SER 86 CO 0.08 0.13 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 3dq6 n ALA 87 N -2.51 2.12 -2.25 5.18 0.00 -0.99 -4.72 120.51 117.33 3dq6 n ALA 87 Ca -0.03 -0.09 -0.28 0.00 0.00 0.00 0.00 53.44 53.05 3dq6 n ALA 87 Cb 0.20 -1.39 -0.00 0.00 0.00 0.00 0.00 19.45 18.26 3dq6 n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dq6 s MET 88 N -2.92 3.56 0.07 0.00 1.00 -0.79 0.85 119.30 121.07 3dq6 s MET 88 Ca 0.14 0.24 0.28 0.00 0.00 0.00 0.00 55.69 56.34 3dq6 s MET 88 Cb 0.16 -2.37 1.05 0.00 0.00 0.00 0.00 34.83 33.67 3dq6 s MET 88 CO 0.42 -0.20 1.85 -0.35 0.00 0.00 0.00 175.02 176.74 3dq6 n PRO 89 N -2.19 0.09 -0.32 2.03 -0.04 -1.26 -4.83 135.00 128.48 3dq6 n PRO 89 Ca 0.01 0.07 -0.01 0.00 -0.04 0.00 0.00 63.50 63.53 3dq6 n PRO 89 Cb 0.55 -1.60 0.12 0.00 -0.04 0.00 0.00 33.50 32.52 3dq6 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dq6 h GLU 90 N 0.00 1.06 0.00 0.54 3.07 -1.91 -2.25 114.58 115.09 3dq6 h GLU 90 Ca 0.00 -0.06 0.00 0.00 -0.50 0.00 0.00 59.36 58.80 3dq6 h GLU 90 Cb 0.58 -0.24 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 3dq6 h GLU 90 CO 0.00 0.70 0.00 0.41 -1.40 0.00 0.00 179.01 178.72 3dq6 n GLY 91 N -1.34 -1.15 3.17 -3.84 0.00 0.25 -4.65 105.19 97.63 3dq6 n GLY 91 Ca 0.11 -2.12 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 3dq6 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dq6 s TYR 92 N 0.00 0.16 0.02 1.61 -0.85 -0.22 -0.69 117.35 117.37 3dq6 s TYR 92 Ca 0.00 -0.51 -0.22 0.00 -0.52 0.00 0.00 57.07 55.83 3dq6 s TYR 92 Cb 0.00 -0.10 -0.05 0.00 0.38 0.00 0.00 41.96 42.19 3dq6 s TYR 92 CO 0.00 -0.45 0.64 0.08 -1.52 0.00 0.00 175.55 174.30 3dq6 s VAL 93 N -3.17 4.84 -0.20 -3.49 1.01 0.97 -1.08 120.40 119.29 3dq6 s VAL 93 Ca -0.00 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.34 3dq6 s VAL 93 Cb 0.02 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.45 3dq6 s VAL 93 CO -0.07 0.41 -0.15 -1.58 0.00 0.00 0.00 175.10 173.71 3dq6 s GLN 94 N -0.22 2.53 0.06 2.72 0.74 0.09 -1.80 119.66 123.79 3dq6 s GLN 94 Ca 0.33 -0.90 0.09 0.00 0.05 0.00 0.00 55.36 54.93 3dq6 s GLN 94 Cb -0.19 -2.54 -0.03 0.00 1.10 0.00 0.00 33.01 31.35 3dq6 s GLN 94 CO 0.19 -0.34 -0.25 -1.21 -0.55 0.00 0.00 175.29 173.13 3dq6 s GLU 95 N 1.30 1.74 0.03 1.67 2.02 -0.21 -0.76 118.70 124.49 3dq6 s GLU 95 Ca 0.01 -1.15 -0.01 0.00 0.02 0.00 0.00 54.97 53.83 3dq6 s GLU 95 Cb -0.15 -1.99 -0.03 0.00 0.10 0.00 0.00 34.13 32.07 3dq6 s GLU 95 CO -0.10 0.50 -0.01 1.03 0.02 0.00 0.00 175.26 176.70 3dq6 s ARG 96 N -1.46 0.48 -0.09 1.61 0.52 -0.57 -1.01 118.95 118.43 3dq6 s ARG 96 Ca 0.13 -0.87 0.04 0.00 -0.52 0.00 0.00 55.73 54.51 3dq6 s ARG 96 Cb -0.10 0.17 -0.00 0.00 0.52 0.00 0.00 34.95 35.54 3dq6 s ARG 96 CO 0.03 -0.09 -0.24 0.99 0.02 0.00 0.00 175.30 176.02 3dq6 s THR 97 N -2.63 2.12 -0.28 0.02 2.01 -0.64 -0.66 115.64 115.58 3dq6 s THR 97 Ca -0.05 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 60.90 3dq6 s THR 97 Cb -0.01 -1.80 0.03 0.00 0.01 0.00 0.00 72.50 70.73 3dq6 s THR 97 CO -0.05 0.56 0.01 -0.63 -0.69 0.00 0.00 174.62 173.82 3dq6 s ILE 98 N 0.16 3.26 -0.36 1.82 1.01 0.12 -1.16 121.20 126.05 3dq6 s ILE 98 Ca -0.13 -1.06 -0.17 0.00 0.00 0.00 0.00 60.65 59.29 3dq6 s ILE 98 Cb -0.16 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.56 3dq6 s ILE 98 CO 0.07 0.05 0.46 -0.36 0.00 0.00 0.00 174.94 175.16 3dq6 s PHE 99 N 1.35 3.18 -0.25 3.97 0.08 0.38 -1.37 117.98 125.33 3dq6 s PHE 99 Ca -0.01 0.05 -0.27 0.00 0.12 0.00 0.00 56.93 56.82 3dq6 s PHE 99 Cb -0.18 -2.86 0.00 0.00 -0.57 0.00 0.00 43.02 39.42 3dq6 s PHE 99 CO -0.01 -0.53 0.94 -0.06 -0.10 0.00 0.00 175.22 175.45 3dq6 s PHE 100 N 2.26 3.31 0.19 0.36 0.40 -0.60 -0.40 117.98 123.50 3dq6 s PHE 100 Ca 0.16 1.27 -0.33 0.00 -0.60 0.00 0.00 56.93 57.43 3dq6 s PHE 100 Cb -0.16 -3.20 -0.13 0.00 0.51 0.00 0.00 43.02 40.04 3dq6 s PHE 100 CO 0.13 -0.47 1.57 1.17 0.70 0.00 0.00 175.22 178.32 3dq6 n LYS 101 N 6.21 2.26 -1.97 0.44 3.00 0.01 0.01 118.16 128.11 3dq6 n LYS 101 Ca 0.09 0.81 -0.14 0.00 -0.00 0.00 0.00 58.31 59.07 3dq6 n LYS 101 Cb 0.47 -2.57 -0.03 0.00 0.00 0.00 0.00 35.03 32.90 3dq6 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dq6 n ASP 102 N 3.16 -4.04 -0.37 3.14 8.00 -1.26 -4.79 116.55 120.39 3dq6 n ASP 102 Ca 0.15 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3dq6 n ASP 102 Cb 0.31 -3.55 0.00 0.00 -0.02 0.00 0.00 41.12 37.86 3dq6 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dq6 n ASP 103 N -1.28 0.00 -2.55 -2.24 -0.08 0.10 -4.93 116.55 105.57 3dq6 n ASP 103 Ca -0.16 -0.37 0.00 0.00 -1.51 0.00 0.00 54.79 52.76 3dq6 n ASP 103 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 3dq6 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dq6 n GLY 104 N 0.00 -1.61 3.00 0.27 0.00 -1.08 -4.52 105.19 101.26 3dq6 n GLY 104 Ca 0.00 -1.56 -0.09 0.00 0.00 0.00 0.00 46.02 44.37 3dq6 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dq6 s ASN 105 N -1.23 0.21 -0.05 1.61 2.20 -0.50 -1.56 114.94 115.62 3dq6 s ASN 105 Ca 0.00 -0.45 -0.03 0.00 -0.94 0.00 0.00 52.86 51.44 3dq6 s ASN 105 Cb 0.00 0.12 -0.04 0.00 -2.00 0.00 0.00 41.25 39.33 3dq6 s ASN 105 CO 0.00 -0.31 0.12 -0.31 -2.94 0.00 0.00 177.10 173.66 3dq6 s TYR 106 N -1.44 3.43 -0.11 1.54 2.02 -0.47 -1.41 117.35 120.91 3dq6 s TYR 106 Ca -0.16 0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.91 3dq6 s TYR 106 Cb -0.10 -1.82 0.01 0.00 -0.40 0.00 0.00 41.96 39.65 3dq6 s TYR 106 CO -0.01 0.62 -0.22 0.15 -1.57 0.00 0.00 175.55 174.53 3dq6 s LYS 107 N -1.51 2.85 0.08 -0.62 1.02 0.53 0.15 119.74 122.23 3dq6 s LYS 107 Ca 0.21 -0.80 0.08 0.00 0.02 0.00 0.00 55.97 55.48 3dq6 s LYS 107 Cb -0.12 -2.22 -0.03 0.00 -0.52 0.00 0.00 37.83 34.94 3dq6 s LYS 107 CO 0.11 0.09 -0.21 0.95 -0.92 0.00 0.00 175.35 175.38 3dq6 s THR 108 N 0.56 1.70 -0.05 2.17 -4.23 0.17 -0.94 115.64 115.01 3dq6 s THR 108 Ca -0.14 -1.39 0.00 0.00 -1.18 0.00 0.00 61.69 58.99 3dq6 s THR 108 Cb -0.17 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.18 3dq6 s THR 108 CO 0.05 0.06 -0.03 -0.60 -0.54 0.00 0.00 174.62 173.56 3dq6 s ARG 109 N -1.57 0.68 0.03 3.99 3.52 -0.51 -1.50 118.95 123.59 3dq6 s ARG 109 Ca 0.07 -0.02 0.05 0.00 -0.13 0.00 0.00 55.73 55.69 3dq6 s ARG 109 Cb -0.09 -0.81 -0.02 0.00 -1.56 0.00 0.00 34.95 32.47 3dq6 s ARG 109 CO 0.03 -0.15 -0.13 0.00 -0.81 0.00 0.00 175.30 174.24 3dq6 s ALA 110 N 1.20 1.10 -0.15 6.12 0.00 0.06 -1.17 121.76 128.91 3dq6 s ALA 110 Ca -0.07 -0.79 -0.01 0.00 0.00 0.00 0.00 51.96 51.09 3dq6 s ALA 110 Cb -0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 3dq6 s ALA 110 CO -0.02 0.20 -0.10 -1.21 0.00 0.00 0.00 175.76 174.64 3dq6 s GLU 111 N -1.08 3.42 -0.23 0.00 2.02 -0.35 -0.73 118.70 121.75 3dq6 s GLU 111 Ca 0.01 -0.65 -0.02 0.00 0.02 0.00 0.00 54.97 54.34 3dq6 s GLU 111 Cb -0.08 -2.75 0.02 0.00 0.10 0.00 0.00 34.13 31.42 3dq6 s GLU 111 CO 0.01 0.13 -0.09 0.08 0.02 0.00 0.00 175.26 175.42 3dq6 s VAL 112 N 0.58 2.82 0.09 2.63 1.01 -0.24 -1.51 120.40 125.79 3dq6 s VAL 112 Ca -0.06 -0.87 -0.25 0.00 0.00 0.00 0.00 61.98 60.79 3dq6 s VAL 112 Cb -0.15 -2.35 0.08 0.00 0.00 0.00 0.00 36.38 33.95 3dq6 s VAL 112 CO 0.03 0.33 0.67 -1.59 0.00 0.00 0.00 175.10 174.54 3dq6 s LYS 113 N 1.36 1.16 0.30 2.72 -2.85 -0.61 -1.06 119.74 120.76 3dq6 s LYS 113 Ca 0.03 -0.31 -0.28 0.00 -1.00 0.00 0.00 55.97 54.40 3dq6 s LYS 113 Cb -0.15 0.53 -0.09 0.00 -2.06 0.00 0.00 37.83 36.06 3dq6 s LYS 113 CO -0.06 -0.48 1.04 -0.06 0.10 0.00 0.00 175.35 175.89 3dq6 s PHE 114 N -3.18 3.61 -0.41 1.78 0.08 -0.85 -0.86 117.98 118.15 3dq6 s PHE 114 Ca -0.00 1.74 0.04 0.00 0.12 0.00 0.00 56.93 58.83 3dq6 s PHE 114 Cb -0.01 -3.15 0.11 0.00 -0.57 0.00 0.00 43.02 39.40 3dq6 s PHE 114 CO -0.08 -0.28 0.14 -1.21 -0.10 0.00 0.00 175.22 173.69 3dq6 s GLU 115 N -1.68 1.65 7.71 0.44 0.41 0.86 -4.92 118.70 123.16 3dq6 s GLU 115 Ca 0.47 -2.15 0.00 0.00 -0.41 0.00 0.00 54.97 52.88 3dq6 s GLU 115 Cb -0.27 -3.19 0.00 0.00 -1.78 0.00 0.00 34.13 28.89 3dq6 s GLU 115 CO 0.34 -1.01 0.00 0.41 -0.49 0.00 0.00 175.26 174.51 3dq6 n GLY 116 N 3.80 3.15 0.10 -1.39 0.00 -1.26 -1.73 105.19 107.86 3dq6 n GLY 116 Ca 0.04 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 46.00 3dq6 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dq6 n ASP 117 N 5.42 0.62 -4.82 1.61 9.92 -1.26 -4.86 116.55 123.18 3dq6 n ASP 117 Ca 0.00 0.61 -0.36 0.00 -0.53 0.00 0.00 54.79 54.51 3dq6 n ASP 117 Cb 0.00 -0.76 -0.07 0.00 -0.64 0.00 0.00 41.12 39.65 3dq6 n ASP 117 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 3dq6 s THR 118 N -3.20 5.45 -0.29 -3.53 2.01 -0.71 -4.36 115.64 111.01 3dq6 s THR 118 Ca 0.07 0.25 -0.17 0.00 0.31 0.00 0.00 61.69 62.15 3dq6 s THR 118 Cb 0.11 -3.45 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 3dq6 s THR 118 CO 0.46 0.55 0.45 -0.22 -0.69 0.00 0.00 174.62 175.17 3dq6 s LEU 119 N -0.51 4.13 -0.08 4.42 1.98 -0.10 -0.10 118.68 128.43 3dq6 s LEU 119 Ca 0.13 0.26 -0.02 0.00 -2.89 0.00 0.00 54.13 51.62 3dq6 s LEU 119 Cb -0.12 -2.53 -0.03 0.00 0.66 0.00 0.00 46.19 44.16 3dq6 s LEU 119 CO 0.02 -0.29 0.01 -0.69 -1.89 0.00 0.00 176.35 173.51 3dq6 s VAL 120 N 2.22 4.35 -0.25 1.68 1.01 -0.04 -1.61 120.40 127.76 3dq6 s VAL 120 Ca 0.18 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.91 3dq6 s VAL 120 Cb -0.16 -2.84 0.06 0.00 0.00 0.00 0.00 36.38 33.45 3dq6 s VAL 120 CO 0.11 0.59 -0.05 0.21 0.00 0.00 0.00 175.10 175.95 3dq6 s ASN 121 N -0.94 4.04 -0.23 3.32 2.47 0.15 -1.57 114.94 122.17 3dq6 s ASN 121 Ca 0.14 -1.31 -0.06 0.00 0.42 0.00 0.00 52.86 52.05 3dq6 s ASN 121 Cb -0.11 -1.27 -0.02 0.00 -1.45 0.00 0.00 41.25 38.39 3dq6 s ASN 121 CO 0.03 -0.24 0.03 -0.13 -3.72 0.00 0.00 177.10 173.07 3dq6 s ARG 122 N 1.31 3.60 0.03 0.43 0.52 -0.57 -1.65 118.95 122.61 3dq6 s ARG 122 Ca -0.05 -0.51 0.05 0.00 -0.52 0.00 0.00 55.73 54.70 3dq6 s ARG 122 Cb -0.19 -3.22 -0.02 0.00 0.52 0.00 0.00 34.95 32.04 3dq6 s ARG 122 CO -0.07 -0.15 -0.16 0.42 0.02 0.00 0.00 175.30 175.36 3dq6 s ILE 123 N 1.46 1.27 -0.12 1.52 1.01 0.11 -1.21 121.20 125.24 3dq6 s ILE 123 Ca 0.05 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.77 3dq6 s ILE 123 Cb -0.15 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.20 3dq6 s ILE 123 CO 0.02 0.15 -0.17 -1.61 0.00 0.00 0.00 174.94 173.33 3dq6 s GLU 124 N -0.92 3.27 -0.04 2.79 2.02 -0.32 -1.62 118.70 123.88 3dq6 s GLU 124 Ca 0.04 -0.75 0.05 0.00 0.02 0.00 0.00 54.97 54.33 3dq6 s GLU 124 Cb -0.07 -2.53 -0.01 0.00 0.10 0.00 0.00 34.13 31.62 3dq6 s GLU 124 CO 0.01 0.19 -0.19 -1.17 0.02 0.00 0.00 175.26 174.12 3dq6 s LEU 125 N 0.37 1.97 -0.06 1.80 0.20 -0.15 -1.42 118.68 121.39 3dq6 s LEU 125 Ca -0.13 -0.38 0.03 0.00 0.69 0.00 0.00 54.13 54.34 3dq6 s LEU 125 Cb -0.17 -1.05 0.01 0.00 -0.43 0.00 0.00 46.19 44.55 3dq6 s LEU 125 CO 0.06 0.19 -0.15 -0.54 -0.29 0.00 0.00 176.35 175.62 3dq6 s LYS 126 N -0.09 1.83 -0.02 1.98 -0.14 -0.12 -1.98 119.74 121.19 3dq6 s LYS 126 Ca -0.02 -0.52 0.08 0.00 -1.36 0.00 0.00 55.97 54.15 3dq6 s LYS 126 Cb -0.11 -1.52 -0.02 0.00 -1.68 0.00 0.00 37.83 34.50 3dq6 s LYS 126 CO 0.02 0.12 -0.26 0.20 -0.76 0.00 0.00 175.35 174.67 3dq6 s GLY 127 N 0.40 1.29 0.05 -3.33 0.00 0.12 -0.35 107.32 105.49 3dq6 s GLY 127 Ca -0.11 -1.13 0.01 0.00 0.00 0.00 0.00 44.72 43.50 3dq6 s GLY 127 CO 0.04 -0.94 -0.06 -0.26 0.00 0.00 0.00 173.10 171.87 3dq6 s ILE 128 N -0.63 0.44 -1.00 0.90 -4.36 -0.50 -1.21 121.20 114.84 3dq6 s ILE 128 Ca 0.10 -1.23 0.00 0.00 -0.26 0.00 0.00 60.65 59.27 3dq6 s ILE 128 Cb -0.10 -0.76 0.00 0.00 1.25 0.00 0.00 42.46 42.85 3dq6 s ILE 128 CO -0.01 -0.53 0.00 0.47 0.24 0.00 0.00 174.94 175.11 3dq6 n ASP 129 N 1.16 -3.87 -4.78 4.36 8.00 -1.26 -1.41 116.55 118.75 3dq6 n ASP 129 Ca -0.21 0.13 -0.37 0.00 0.71 0.00 0.00 54.79 55.05 3dq6 n ASP 129 Cb 0.56 -2.70 -0.06 0.00 -0.02 0.00 0.00 41.12 38.90 3dq6 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dq6 s PHE 130 N -2.45 3.71 -0.08 1.24 0.08 -1.26 -2.62 117.98 116.59 3dq6 s PHE 130 Ca 0.00 1.74 -0.25 0.00 0.12 0.00 0.00 56.93 58.54 3dq6 s PHE 130 Cb 0.00 -2.89 -0.03 0.00 -0.57 0.00 0.00 43.02 39.54 3dq6 s PHE 130 CO 0.00 0.24 0.80 0.15 -0.10 0.00 0.00 175.22 176.32 3dq6 s LYS 131 N -1.98 4.42 0.32 0.44 1.02 -1.26 -4.92 119.74 117.78 3dq6 s LYS 131 Ca 0.49 1.04 0.07 0.00 0.02 0.00 0.00 55.97 57.58 3dq6 s LYS 131 Cb -0.19 -3.49 0.90 0.00 -0.52 0.00 0.00 37.83 34.53 3dq6 s LYS 131 CO 0.24 -0.08 1.59 0.93 -0.92 0.00 0.00 175.35 177.11 3dq6 h GLU 132 N 6.94 0.06 -0.01 1.68 4.39 -1.96 -1.20 114.58 124.47 3dq6 h GLU 132 Ca -0.37 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.32 3dq6 h GLU 132 Cb 1.18 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3dq6 h GLU 132 CO 0.78 0.04 -0.40 -0.40 -1.16 0.00 0.00 179.01 177.87 3dq6 n ASP 133 N -5.37 1.85 -3.32 1.42 5.68 -1.26 -3.59 116.55 111.96 3dq6 n ASP 133 Ca 0.27 -3.75 -0.19 0.00 -0.50 0.00 0.00 54.79 50.62 3dq6 n ASP 133 Cb 0.88 -0.51 0.13 0.00 -1.14 0.00 0.00 41.12 40.48 3dq6 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dq6 n GLY 134 N -1.18 -1.16 0.28 6.12 0.00 -0.45 -4.75 105.19 104.05 3dq6 n GLY 134 Ca 0.19 -1.73 0.17 0.00 0.00 0.00 0.00 46.02 44.64 3dq6 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dq6 h ASN 135 N -1.09 0.00 0.00 1.61 2.35 -1.93 -0.66 115.58 115.86 3dq6 h ASN 135 Ca -0.28 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.47 3dq6 h ASN 135 Cb 0.80 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3dq6 h ASN 135 CO 0.21 0.05 -0.24 0.40 -1.65 0.00 0.00 177.43 176.19 3dq6 h ILE 136 N 0.00 0.00 0.00 2.81 5.03 -1.92 -1.00 117.51 122.42 3dq6 h ILE 136 Ca -0.00 -0.76 -0.06 0.00 -0.12 0.00 0.00 64.86 63.93 3dq6 h ILE 136 Cb 0.45 0.00 -0.01 0.00 -3.03 0.00 0.00 36.82 34.23 3dq6 h ILE 136 CO 0.01 0.00 -0.27 -0.07 -0.68 0.00 0.00 178.15 177.14 3dq6 h LEU 137 N -0.76 0.00 -0.54 1.44 3.38 -1.76 -2.17 115.31 114.90 3dq6 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dq6 h LEU 137 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3dq6 h LEU 137 CO 0.00 0.27 -0.02 0.61 0.09 0.00 0.00 178.44 179.38 3dq6 n GLY 138 N -0.36 -0.46 3.46 0.83 0.00 -0.25 -4.92 105.19 103.48 3dq6 n GLY 138 Ca -0.01 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 3dq6 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dq6 n HIS 139 N -0.38 -2.21 0.30 1.61 8.25 -0.82 -4.92 115.22 117.05 3dq6 n HIS 139 Ca 0.20 0.67 0.07 0.00 -0.26 0.00 0.00 57.72 58.39 3dq6 n HIS 139 Cb 0.27 -3.77 0.10 0.00 1.12 0.00 0.00 29.99 27.71 3dq6 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dq6 n LYS 140 N -3.63 1.54 -3.01 -0.41 5.02 -0.39 -4.98 118.16 112.31 3dq6 n LYS 140 Ca -0.08 -1.60 -0.40 0.00 -2.02 0.00 0.00 58.31 54.21 3dq6 n LYS 140 Cb 0.60 -1.28 -0.04 0.00 -0.02 0.00 0.00 35.03 34.29 3dq6 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dq6 s LEU 141 N -1.08 4.33 0.62 -0.35 1.43 -1.25 -4.26 118.68 118.11 3dq6 s LEU 141 Ca 0.20 1.24 -0.19 0.00 -1.03 0.00 0.00 54.13 54.36 3dq6 s LEU 141 Cb 0.12 -3.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.18 3dq6 s LEU 141 CO 0.18 -0.13 1.21 -0.62 0.23 0.00 0.00 176.35 177.22 3dq6 n GLU 142 N 3.77 1.12 -2.91 1.70 1.02 -0.62 -4.92 120.64 119.80 3dq6 n GLU 142 Ca -0.01 0.44 -0.44 0.00 -0.02 0.00 0.00 57.16 57.13 3dq6 n GLU 142 Cb 0.51 -2.44 0.00 0.00 -0.02 0.00 0.00 31.44 29.50 3dq6 n GLU 142 CO 0.00 0.00 0.00 0.98 1.18 0.00 0.00 177.13 179.29 3dq6 n TYR 143 N -1.76 4.80 -3.49 -0.32 9.36 -1.26 -4.85 117.16 119.64 3dq6 n TYR 143 Ca 0.15 -3.33 -0.05 0.00 3.32 0.00 0.00 57.90 57.98 3dq6 n TYR 143 Cb 0.47 -2.14 0.02 0.00 -0.63 0.00 0.00 39.34 37.06 3dq6 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dq6 n ASN 144 N 5.33 -1.34 -3.64 2.98 0.23 -1.26 -4.89 115.26 112.67 3dq6 n ASN 144 Ca 0.37 -1.91 -0.04 0.00 -0.53 0.00 0.00 54.58 52.47 3dq6 n ASN 144 Cb 0.42 2.22 -0.06 0.00 -2.08 0.00 0.00 39.78 40.28 3dq6 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dq6 s TYR 145 N -4.81 -1.15 0.62 -2.53 5.04 -1.26 -4.89 117.35 108.37 3dq6 s TYR 145 Ca 0.10 2.15 -0.10 0.00 -2.44 0.00 0.00 57.07 56.77 3dq6 s TYR 145 Cb -0.03 0.69 -0.03 0.00 0.35 0.00 0.00 41.96 42.94 3dq6 s TYR 145 CO 0.07 -0.57 1.02 -0.80 -1.34 0.00 0.00 175.55 173.92 3dq6 s ASN 146 N 2.16 6.10 0.26 4.32 0.01 -1.26 -4.67 114.94 121.86 3dq6 s ASN 146 Ca -0.08 1.32 -0.29 0.00 -0.71 0.00 0.00 52.86 53.10 3dq6 s ASN 146 Cb -0.08 -2.35 -0.09 0.00 0.41 0.00 0.00 41.25 39.14 3dq6 s ASN 146 CO -0.19 -0.92 0.96 -0.44 -1.51 0.00 0.00 177.10 174.99 3dq6 s SER 147 N -4.20 7.55 0.01 -1.22 0.01 -1.26 -4.56 113.70 110.02 3dq6 s SER 147 Ca 0.55 1.96 -0.02 0.00 1.31 0.00 0.00 55.95 59.75 3dq6 s SER 147 Cb -0.11 -2.61 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 3dq6 s SER 147 CO 0.53 0.08 0.02 -1.00 0.41 0.00 0.00 173.24 173.28 3dq6 s HIS 148 N -1.27 0.15 -0.13 2.43 3.76 -0.80 -5.00 115.29 114.43 3dq6 s HIS 148 Ca 0.43 -0.30 -0.06 0.00 -0.15 0.00 0.00 55.06 54.98 3dq6 s HIS 148 Cb -0.25 -0.11 -0.04 0.00 1.11 0.00 0.00 32.58 33.29 3dq6 s HIS 148 CO 0.31 -0.17 0.10 -0.80 -0.85 0.00 0.00 174.74 173.33 3dq6 s ASN 149 N -1.12 6.06 -0.15 1.40 0.02 -1.26 -0.31 114.94 119.58 3dq6 s ASN 149 Ca -0.12 0.34 -0.00 0.00 -1.02 0.00 0.00 52.86 52.06 3dq6 s ASN 149 Cb -0.07 -1.94 -0.01 0.00 0.02 0.00 0.00 41.25 39.25 3dq6 s ASN 149 CO -0.00 0.36 -0.14 -0.69 0.02 0.00 0.00 177.10 176.65 3dq6 s VAL 150 N -0.73 2.80 -0.38 1.60 1.01 0.24 -4.86 120.40 120.07 3dq6 s VAL 150 Ca 0.13 -0.73 -0.14 0.00 0.00 0.00 0.00 61.98 61.24 3dq6 s VAL 150 Cb -0.12 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.08 3dq6 s VAL 150 CO 0.03 0.51 0.28 -0.31 0.00 0.00 0.00 175.10 175.61 3dq6 s TYR 151 N 0.75 3.24 -0.13 5.22 2.02 -1.16 -0.99 117.35 126.30 3dq6 s TYR 151 Ca -0.06 -0.45 -0.18 0.00 -0.37 0.00 0.00 57.07 56.01 3dq6 s TYR 151 Cb -0.15 -2.55 -0.04 0.00 -0.40 0.00 0.00 41.96 38.81 3dq6 s TYR 151 CO 0.01 -0.51 0.48 0.42 -1.57 0.00 0.00 175.55 174.38 3dq6 s ILE 152 N 1.70 5.18 0.12 2.71 1.01 0.22 -3.24 121.20 128.91 3dq6 s ILE 152 Ca 0.05 0.94 0.07 0.00 0.00 0.00 0.00 60.65 61.71 3dq6 s ILE 152 Cb -0.18 -3.81 -0.04 0.00 0.01 0.00 0.00 42.46 38.44 3dq6 s ILE 152 CO 0.10 0.30 -0.16 -0.04 0.00 0.00 0.00 174.94 175.14 3dq6 s MET 153 N 0.79 1.06 0.57 2.79 -1.94 -0.13 -1.79 119.30 120.65 3dq6 s MET 153 Ca 0.25 -1.21 -0.19 0.00 -1.71 0.00 0.00 55.69 52.83 3dq6 s MET 153 Cb -0.15 -1.07 -0.05 0.00 2.01 0.00 0.00 34.83 35.57 3dq6 s MET 153 CO 0.10 0.22 1.16 0.00 -0.01 0.00 0.00 175.02 176.50 3dq6 s ALA 154 N -1.78 2.61 -0.53 3.03 0.00 -1.24 -0.13 121.76 123.71 3dq6 s ALA 154 Ca 0.08 0.89 0.06 0.00 0.00 0.00 0.00 51.96 53.00 3dq6 s ALA 154 Cb -0.07 -3.40 0.23 0.00 0.00 0.00 0.00 23.12 19.88 3dq6 s ALA 154 CO 0.04 -0.97 0.58 -3.47 0.00 0.00 0.00 175.76 171.94 3dq6 n ASP 155 N -1.49 1.88 -0.06 0.00 -0.08 0.18 -4.59 116.55 112.39 3dq6 n ASP 155 Ca 0.12 -3.02 0.01 0.00 -1.51 0.00 0.00 54.79 50.40 3dq6 n ASP 155 Cb 0.50 -0.66 0.32 0.00 2.34 0.00 0.00 41.12 43.63 3dq6 n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dq6 h LYS 156 N 4.47 0.66 -0.97 -0.67 1.57 -1.94 -0.32 116.57 119.37 3dq6 h LYS 156 Ca 0.16 -0.08 0.28 0.00 -1.87 0.00 0.00 60.65 59.14 3dq6 h LYS 156 Cb 0.78 -0.13 -0.18 0.00 0.08 0.00 0.00 32.23 32.78 3dq6 h LYS 156 CO 0.63 0.52 0.10 1.96 -0.57 0.00 0.00 179.45 182.10 3dq6 h GLN 157 N 0.67 0.03 -0.43 3.15 4.20 -1.94 -2.61 115.11 118.17 3dq6 h GLN 157 Ca 0.17 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.88 3dq6 h GLN 157 Cb 0.08 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3dq6 h GLN 157 CO -0.02 0.02 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3dq6 n LYS 158 N -5.44 2.82 -3.57 1.46 5.02 -0.17 -4.97 118.16 113.30 3dq6 n LYS 158 Ca 0.24 -2.18 -0.26 0.00 -2.02 0.00 0.00 58.31 54.09 3dq6 n LYS 158 Cb 0.81 -1.34 0.01 0.00 -0.02 0.00 0.00 35.03 34.50 3dq6 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dq6 n ASN 159 N 0.77 -4.59 0.00 4.39 5.15 -0.94 -4.79 115.26 115.26 3dq6 n ASN 159 Ca 0.14 -0.55 0.00 0.00 -0.60 0.00 0.00 54.58 53.57 3dq6 n ASN 159 Cb 0.47 -3.71 0.00 0.00 -0.53 0.00 0.00 39.78 36.00 3dq6 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dq6 n GLY 160 N -1.46 4.29 3.34 8.20 0.00 -0.94 -4.34 105.19 114.29 3dq6 n GLY 160 Ca -0.00 -0.85 -0.18 0.00 0.00 0.00 0.00 46.02 44.99 3dq6 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dq6 s ILE 161 N -0.50 1.23 0.05 -0.61 -4.36 -0.71 -0.65 121.20 115.65 3dq6 s ILE 161 Ca 0.00 -2.07 0.07 0.00 -0.26 0.00 0.00 60.65 58.39 3dq6 s ILE 161 Cb 0.00 -2.27 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 3dq6 s ILE 161 CO 0.00 -0.40 -0.20 -0.54 0.24 0.00 0.00 174.94 174.03 3dq6 s LYS 162 N -3.80 1.35 -0.04 0.37 1.02 0.82 -0.55 119.74 118.91 3dq6 s LYS 162 Ca 0.26 -0.94 -0.02 0.00 0.02 0.00 0.00 55.97 55.29 3dq6 s LYS 162 Cb 0.04 -1.47 0.02 0.00 -0.52 0.00 0.00 37.83 35.91 3dq6 s LYS 162 CO 0.08 0.37 0.10 0.08 -0.92 0.00 0.00 175.35 175.06 3dq6 s VAL 163 N -0.82 -0.03 0.01 3.17 1.01 0.01 -0.96 120.40 122.80 3dq6 s VAL 163 Ca 0.07 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.13 3dq6 s VAL 163 Cb -0.09 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3dq6 s VAL 163 CO 0.02 0.04 0.03 0.21 0.00 0.00 0.00 175.10 175.40 3dq6 s ASN 164 N 0.62 0.15 0.00 3.32 3.84 -1.20 -0.71 114.94 120.96 3dq6 s ASN 164 Ca -0.05 -0.37 0.00 0.00 0.21 0.00 0.00 52.86 52.65 3dq6 s ASN 164 Cb -0.07 0.13 0.00 0.00 -0.55 0.00 0.00 41.25 40.77 3dq6 s ASN 164 CO -0.03 -0.31 0.00 2.22 -2.79 0.00 0.00 177.10 176.20 3dq6 n PHE 165 N 1.64 0.00 -4.02 0.43 -1.74 -0.98 -2.96 117.46 109.83 3dq6 n PHE 165 Ca -0.23 0.00 -0.30 0.00 -0.56 0.00 0.00 57.45 56.36 3dq6 n PHE 165 Cb 0.55 0.00 -0.16 0.00 1.52 0.00 0.00 39.48 41.39 3dq6 n PHE 165 CO 0.00 0.00 0.00 0.15 -0.56 0.00 0.00 176.76 176.35 3dq6 s LYS 166 N -2.00 2.28 0.07 3.97 1.02 -1.26 -0.32 119.74 123.49 3dq6 s LYS 166 Ca 0.00 -0.66 -0.20 0.00 0.02 0.00 0.00 55.97 55.13 3dq6 s LYS 166 Cb 0.00 -2.22 -0.07 0.00 -0.52 0.00 0.00 37.83 35.02 3dq6 s LYS 166 CO 0.00 -0.29 0.59 0.42 -0.92 0.00 0.00 175.35 175.15 3dq6 s ILE 167 N 1.45 4.73 -0.35 2.17 -1.09 -0.09 -4.94 121.20 123.08 3dq6 s ILE 167 Ca 0.03 1.27 -0.09 0.00 -2.23 0.00 0.00 60.65 59.63 3dq6 s ILE 167 Cb -0.14 -3.93 0.02 0.00 -1.58 0.00 0.00 42.46 36.84 3dq6 s ILE 167 CO -0.10 0.53 0.16 -0.13 -1.23 0.00 0.00 174.94 174.17 3dq6 s ARG 168 N -0.97 2.88 -0.36 2.79 0.52 -1.26 -1.19 118.95 121.34 3dq6 s ARG 168 Ca 0.30 -1.03 -0.20 0.00 -0.52 0.00 0.00 55.73 54.28 3dq6 s ARG 168 Cb -0.20 -3.61 0.00 0.00 0.52 0.00 0.00 34.95 31.67 3dq6 s ARG 168 CO 0.19 -0.63 0.61 -1.01 0.02 0.00 0.00 175.30 174.49 3dq6 s HIS 169 N 1.52 3.15 0.38 -0.53 3.76 -0.35 -4.50 115.29 118.73 3dq6 s HIS 169 Ca 0.02 0.28 -0.27 0.00 -0.15 0.00 0.00 55.06 54.93 3dq6 s HIS 169 Cb -0.19 -3.11 -0.10 0.00 1.11 0.00 0.00 32.58 30.29 3dq6 s HIS 169 CO 0.05 -0.63 1.38 -0.80 -0.85 0.00 0.00 174.74 173.89 3dq6 s ASN 170 N 1.80 6.37 0.10 1.40 -0.87 -1.26 0.14 114.94 122.62 3dq6 s ASN 170 Ca 0.23 2.83 0.09 0.00 -1.57 0.00 0.00 52.86 54.44 3dq6 s ASN 170 Cb -0.15 -2.65 -0.04 0.00 -0.02 0.00 0.00 41.25 38.39 3dq6 s ASN 170 CO 0.15 -0.83 -0.20 -0.63 -2.57 0.00 0.00 177.10 173.02 3dq6 s ILE 171 N -1.18 2.70 -0.42 0.60 1.01 -0.77 -1.59 121.20 121.56 3dq6 s ILE 171 Ca 0.54 -1.46 -0.07 0.00 0.00 0.00 0.00 60.65 59.67 3dq6 s ILE 171 Cb -0.42 -2.20 -0.19 0.00 0.01 0.00 0.00 42.46 39.67 3dq6 s ILE 171 CO 0.56 0.17 3.36 -1.84 0.00 0.00 0.00 174.94 177.19 3dq6 n GLU 172 N 1.06 2.47 0.00 2.79 0.28 -1.26 -0.17 120.64 125.81 3dq6 n GLU 172 Ca -0.16 -1.47 0.00 0.00 -0.16 0.00 0.00 57.16 55.37 3dq6 n GLU 172 Cb 0.53 -2.20 0.00 0.00 1.43 0.00 0.00 31.44 31.20 3dq6 n GLU 172 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 3dq6 n ASP 173 N 2.51 0.00 0.00 -1.84 5.68 -1.26 -5.03 116.55 116.61 3dq6 n ASP 173 Ca 0.51 -1.00 0.00 0.00 -0.50 0.00 0.00 54.79 53.80 3dq6 n ASP 173 Cb 0.72 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.70 3dq6 n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dq6 n GLY 174 N 0.00 1.96 3.38 6.12 0.00 0.77 -5.06 105.19 112.35 3dq6 n GLY 174 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3dq6 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dq6 n SER 175 N 0.00 -2.44 -4.29 1.61 2.88 -1.25 -4.87 113.62 105.27 3dq6 n SER 175 Ca 0.00 0.33 -0.26 0.00 -1.33 0.00 0.00 58.87 57.61 3dq6 n SER 175 Cb 0.00 -1.16 -0.13 0.00 -0.75 0.00 0.00 64.21 62.16 3dq6 n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dq6 s VAL 176 N -2.33 1.79 -0.35 2.46 -7.23 -1.26 -1.85 120.40 111.63 3dq6 s VAL 176 Ca 0.56 -1.40 -0.15 0.00 -1.81 0.00 0.00 61.98 59.18 3dq6 s VAL 176 Cb -0.22 -1.58 -0.01 0.00 0.56 0.00 0.00 36.38 35.14 3dq6 s VAL 176 CO 0.69 0.11 0.37 -1.58 -0.31 0.00 0.00 175.10 174.37 3dq6 s GLN 177 N -1.53 3.53 0.12 4.82 2.00 0.12 -4.94 119.66 123.78 3dq6 s GLN 177 Ca 0.08 -0.44 -0.30 0.00 -2.00 0.00 0.00 55.36 52.70 3dq6 s GLN 177 Cb -0.09 -3.81 -0.06 0.00 0.80 0.00 0.00 33.01 29.84 3dq6 s GLN 177 CO 0.03 -0.54 0.97 -0.51 -0.50 0.00 0.00 175.29 174.73 3dq6 s LEU 178 N 2.02 4.50 -0.27 3.68 1.43 -1.26 -1.21 118.68 127.57 3dq6 s LEU 178 Ca 0.12 1.81 -0.00 0.00 -1.03 0.00 0.00 54.13 55.03 3dq6 s LEU 178 Cb -0.17 -3.59 0.08 0.00 0.03 0.00 0.00 46.19 42.55 3dq6 s LEU 178 CO 0.12 -0.06 0.04 0.00 0.23 0.00 0.00 176.35 176.68 3dq6 s ALA 179 N -0.05 1.74 -0.44 4.21 0.00 -0.34 -0.81 121.76 126.07 3dq6 s ALA 179 Ca 0.47 -1.54 -0.25 0.00 0.00 0.00 0.00 51.96 50.64 3dq6 s ALA 179 Cb -0.24 -1.54 0.02 0.00 0.00 0.00 0.00 23.12 21.36 3dq6 s ALA 179 CO 0.30 -1.46 0.91 -0.51 0.00 0.00 0.00 175.76 175.00 3dq6 s ASP 180 N 1.50 6.52 -0.20 0.00 1.11 0.47 -0.91 116.67 125.17 3dq6 s ASP 180 Ca 0.04 0.19 -0.13 0.00 0.18 0.00 0.00 52.55 52.83 3dq6 s ASP 180 Cb -0.18 -2.45 -0.04 0.00 1.07 0.00 0.00 42.92 41.32 3dq6 s ASP 180 CO -0.15 -0.99 0.28 -1.00 1.18 0.00 0.00 175.17 174.49 3dq6 s HIS 181 N 3.64 3.39 -0.14 4.23 3.76 0.56 -0.47 115.29 130.27 3dq6 s HIS 181 Ca 0.36 0.49 0.02 0.00 -0.15 0.00 0.00 55.06 55.78 3dq6 s HIS 181 Cb -0.11 -2.37 0.00 0.00 1.11 0.00 0.00 32.58 31.21 3dq6 s HIS 181 CO 0.24 0.11 -0.20 0.71 -0.85 0.00 0.00 174.74 174.76 3dq6 s TYR 182 N 0.91 2.69 -0.01 1.40 1.51 -0.31 -2.32 117.35 121.22 3dq6 s TYR 182 Ca 0.14 -1.16 0.03 0.00 -1.01 0.00 0.00 57.07 55.07 3dq6 s TYR 182 Cb -0.14 -1.82 -0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3dq6 s TYR 182 CO 0.05 -0.52 -0.10 -1.14 -1.11 0.00 0.00 175.55 172.73 3dq6 s GLN 183 N 0.71 0.86 -0.04 -0.62 0.74 0.12 -1.62 119.66 119.80 3dq6 s GLN 183 Ca -0.09 -0.37 0.02 0.00 0.05 0.00 0.00 55.36 54.98 3dq6 s GLN 183 Cb -0.16 -0.83 0.01 0.00 1.10 0.00 0.00 33.01 33.13 3dq6 s GLN 183 CO 0.01 0.22 -0.10 -1.14 -0.55 0.00 0.00 175.29 173.73 3dq6 s GLN 184 N -0.23 1.18 -0.03 1.67 0.74 -0.18 -0.81 119.66 122.01 3dq6 s GLN 184 Ca 0.04 -0.34 0.07 0.00 0.05 0.00 0.00 55.36 55.18 3dq6 s GLN 184 Cb -0.04 -1.06 -0.02 0.00 1.10 0.00 0.00 33.01 32.99 3dq6 s GLN 184 CO -0.00 0.09 -0.23 -0.80 -0.55 0.00 0.00 175.29 173.80 3dq6 s ASN 185 N 0.35 2.74 0.01 6.67 -0.87 0.29 -1.05 114.94 123.07 3dq6 s ASN 185 Ca -0.06 -0.43 0.00 0.00 -1.57 0.00 0.00 52.86 50.80 3dq6 s ASN 185 Cb -0.11 -0.42 -0.01 0.00 -0.02 0.00 0.00 41.25 40.69 3dq6 s ASN 185 CO 0.01 0.27 -0.01 0.42 -2.57 0.00 0.00 177.10 175.22 3dq6 s THR 186 N -0.43 0.05 0.51 1.60 -4.23 -0.74 -1.73 115.64 110.66 3dq6 s THR 186 Ca 0.06 -0.32 -0.22 0.00 -1.18 0.00 0.00 61.69 60.03 3dq6 s THR 186 Cb -0.10 -0.10 -0.06 0.00 1.34 0.00 0.00 72.50 73.58 3dq6 s THR 186 CO 0.00 -0.17 1.25 -2.16 -0.54 0.00 0.00 174.62 173.00 3dq6 s PRO 187 N -0.51 3.42 -0.10 3.99 0.04 -1.26 -0.02 135.00 140.55 3dq6 s PRO 187 Ca -0.06 1.98 -0.27 0.00 0.04 0.00 0.00 61.00 62.70 3dq6 s PRO 187 Cb -0.04 -2.30 -0.27 0.00 0.04 0.00 0.00 34.50 31.93 3dq6 s PRO 187 CO -0.00 -0.89 0.83 0.82 0.04 0.00 0.00 177.00 177.80 3dq6 h ILE 188 N 1.60 1.69 -3.89 0.56 2.04 -1.20 -3.44 117.51 114.88 3dq6 h ILE 188 Ca -0.50 -2.36 -0.44 0.00 1.00 0.00 0.00 64.86 62.56 3dq6 h ILE 188 Cb 1.27 3.28 0.18 0.00 -0.74 0.00 0.00 36.82 40.81 3dq6 h ILE 188 CO 0.58 0.63 0.40 -0.83 0.00 0.00 0.00 178.15 178.93 3dq6 s GLY 189 N -4.25 1.79 0.00 5.37 0.00 -1.26 -5.00 107.32 103.97 3dq6 s GLY 189 Ca -0.17 -1.26 0.20 0.00 0.00 0.00 0.00 44.72 43.49 3dq6 s GLY 189 CO 0.74 -0.43 1.13 1.34 0.00 0.00 0.00 173.10 175.87 3dq6 n ASP 190 N -3.94 2.65 -4.11 1.64 2.03 -1.26 -5.00 116.55 108.56 3dq6 n ASP 190 Ca 0.16 -1.82 -0.29 0.00 0.52 0.00 0.00 54.79 53.35 3dq6 n ASP 190 Cb 0.59 0.00 0.23 0.00 -0.72 0.00 0.00 41.12 41.22 3dq6 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dq6 s GLY 191 N -1.65 1.54 0.43 0.27 0.00 -1.26 -4.98 107.32 101.67 3dq6 s GLY 191 Ca 0.23 -0.65 -0.26 0.00 0.00 0.00 0.00 44.72 44.05 3dq6 s GLY 191 CO 0.25 0.16 1.36 -4.14 0.00 0.00 0.00 173.10 170.73 3dq6 s PRO 192 N -5.08 3.81 0.08 2.90 0.02 -1.26 -5.04 135.00 130.42 3dq6 s PRO 192 Ca 0.69 2.28 0.02 0.00 0.02 0.00 0.00 61.00 64.01 3dq6 s PRO 192 Cb -0.15 -2.69 -0.04 0.00 0.02 0.00 0.00 34.50 31.64 3dq6 s PRO 192 CO 0.58 -0.66 -0.07 0.14 -0.33 0.00 0.00 177.00 176.65 3dq6 s VAL 193 N -1.24 0.67 -0.27 3.83 -7.23 -1.26 -4.69 120.40 110.22 3dq6 s VAL 193 Ca 0.59 -1.61 -0.26 0.00 -1.81 0.00 0.00 61.98 58.89 3dq6 s VAL 193 Cb -0.41 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.26 3dq6 s VAL 193 CO 0.52 -0.67 0.91 -0.76 -0.31 0.00 0.00 175.10 174.80 3dq6 s LEU 194 N -2.47 4.06 -0.33 1.32 1.43 -1.26 -5.02 118.68 116.41 3dq6 s LEU 194 Ca 0.04 1.02 -0.12 0.00 -1.03 0.00 0.00 54.13 54.04 3dq6 s LEU 194 Cb -0.01 -3.30 -0.02 0.00 0.03 0.00 0.00 46.19 42.89 3dq6 s LEU 194 CO -0.02 -0.64 0.21 -0.76 0.23 0.00 0.00 176.35 175.36 3dq6 s LEU 195 N 3.09 4.35 0.50 1.79 1.43 -1.26 -3.91 118.68 124.68 3dq6 s LEU 195 Ca 0.38 -0.44 -0.16 0.00 -1.03 0.00 0.00 54.13 52.88 3dq6 s LEU 195 Cb -0.14 -2.09 -0.08 0.00 0.03 0.00 0.00 46.19 43.91 3dq6 s LEU 195 CO 0.10 -0.21 0.97 -2.16 0.23 0.00 0.00 176.35 175.27 3dq6 s PRO 196 N 1.69 3.94 0.71 1.29 0.04 -1.26 -4.96 135.00 136.44 3dq6 s PRO 196 Ca 0.06 0.92 -0.13 0.00 0.04 0.00 0.00 61.00 61.88 3dq6 s PRO 196 Cb -0.17 -2.16 0.03 0.00 0.04 0.00 0.00 34.50 32.24 3dq6 s PRO 196 CO 0.09 -0.24 1.12 -0.51 0.04 0.00 0.00 177.00 177.49 3dq6 s ASP 197 N -3.06 4.71 0.13 6.66 1.01 -1.26 -3.72 116.67 121.15 3dq6 s ASP 197 Ca 0.58 2.00 -0.33 0.00 0.71 0.00 0.00 52.55 55.51 3dq6 s ASP 197 Cb -0.10 -2.55 -0.13 0.00 1.01 0.00 0.00 42.92 41.16 3dq6 s ASP 197 CO 0.31 -1.90 1.68 0.59 0.21 0.00 0.00 175.17 176.06 3dq6 n ASN 198 N -2.87 3.44 -3.58 0.27 4.13 -1.26 -4.82 115.26 110.58 3dq6 n ASN 198 Ca 0.10 1.05 -0.10 0.00 1.68 0.00 0.00 54.58 57.32 3dq6 n ASN 198 Cb 0.52 -1.46 -0.03 0.00 -1.54 0.00 0.00 39.78 37.27 3dq6 n ASN 198 CO 0.00 0.00 0.00 -1.38 0.28 0.00 0.00 177.26 176.16 3dq6 s HIS 199 N 1.63 0.32 0.25 3.10 -3.43 -0.74 -4.80 115.29 111.62 3dq6 s HIS 199 Ca 0.80 -0.75 0.11 0.00 -0.80 0.00 0.00 55.06 54.42 3dq6 s HIS 199 Cb -0.62 0.40 -0.05 0.00 -1.43 0.00 0.00 32.58 30.88 3dq6 s HIS 199 CO 0.38 -1.21 -0.18 1.52 -2.00 0.00 0.00 174.74 173.25 3dq6 s TYR 200 N -3.42 2.11 -0.15 0.38 -0.85 -0.85 0.73 117.35 115.30 3dq6 s TYR 200 Ca 0.20 -0.41 -0.05 0.00 -0.52 0.00 0.00 57.07 56.29 3dq6 s TYR 200 Cb -0.03 -0.93 -0.04 0.00 0.38 0.00 0.00 41.96 41.34 3dq6 s TYR 200 CO 0.11 0.60 0.03 -0.51 -1.52 0.00 0.00 175.55 174.26 3dq6 s LEU 201 N -3.41 3.67 -0.27 -3.49 1.43 -0.16 -0.81 118.68 115.65 3dq6 s LEU 201 Ca 0.27 0.08 -0.13 0.00 -1.03 0.00 0.00 54.13 53.32 3dq6 s LEU 201 Cb -0.04 -1.89 -0.04 0.00 0.03 0.00 0.00 46.19 44.25 3dq6 s LEU 201 CO 0.12 0.24 0.29 -0.44 0.23 0.00 0.00 176.35 176.79 3dq6 s SER 202 N -0.05 6.16 -0.08 2.29 0.01 0.34 -0.60 113.70 121.76 3dq6 s SER 202 Ca 0.05 0.16 -0.00 0.00 1.31 0.00 0.00 55.95 57.47 3dq6 s SER 202 Cb -0.12 -2.17 -0.03 0.00 0.21 0.00 0.00 66.02 63.91 3dq6 s SER 202 CO 0.02 -0.12 -0.06 -0.31 0.41 0.00 0.00 173.24 173.18 3dq6 s TYR 203 N 1.88 2.96 -0.02 2.43 1.51 0.58 -1.75 117.35 124.94 3dq6 s TYR 203 Ca 0.11 -0.04 0.04 0.00 -1.01 0.00 0.00 57.07 56.17 3dq6 s TYR 203 Cb -0.16 -1.76 -0.00 0.00 -0.11 0.00 0.00 41.96 39.93 3dq6 s TYR 203 CO 0.10 0.27 -0.13 -0.65 -1.11 0.00 0.00 175.55 174.03 3dq6 s GLN 204 N -0.60 1.22 -0.02 -0.62 1.11 -0.26 -1.90 119.66 118.58 3dq6 s GLN 204 Ca 0.09 -0.45 0.02 0.00 0.01 0.00 0.00 55.36 55.03 3dq6 s GLN 204 Cb -0.12 -1.13 0.01 0.00 -1.01 0.00 0.00 33.01 30.76 3dq6 s GLN 204 CO 0.02 0.21 -0.07 -1.12 0.01 0.00 0.00 175.29 174.34 3dq6 s SER 205 N -0.04 1.03 -0.10 5.90 0.01 -1.26 -0.66 113.70 118.58 3dq6 s SER 205 Ca -0.00 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 57.13 3dq6 s SER 205 Cb -0.08 -0.29 0.01 0.00 0.21 0.00 0.00 66.02 65.86 3dq6 s SER 205 CO 0.01 0.04 -0.20 0.00 0.41 0.00 0.00 173.24 173.50 3dq6 s ALA 206 N 0.27 1.93 -0.09 1.44 0.00 0.11 -4.56 121.76 120.85 3dq6 s ALA 206 Ca -0.04 -0.84 -0.02 0.00 0.00 0.00 0.00 51.96 51.07 3dq6 s ALA 206 Cb -0.08 -0.79 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 3dq6 s ALA 206 CO 0.00 0.16 -0.02 -0.51 0.00 0.00 0.00 175.76 175.39 3dq6 s LEU 207 N 0.56 3.41 0.33 0.00 1.43 -1.26 -1.07 118.68 122.07 3dq6 s LEU 207 Ca -0.15 0.05 -0.07 0.00 -1.03 0.00 0.00 54.13 52.93 3dq6 s LEU 207 Cb -0.17 -1.78 0.01 0.00 0.03 0.00 0.00 46.19 44.28 3dq6 s LEU 207 CO 0.05 0.33 0.53 -0.94 0.23 0.00 0.00 176.35 176.55 3dq6 s SER 208 N -0.62 0.50 0.09 2.29 1.04 0.04 -4.93 113.70 112.11 3dq6 s SER 208 Ca 0.10 -1.29 0.08 0.00 0.48 0.00 0.00 55.95 55.32 3dq6 s SER 208 Cb -0.12 0.68 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3dq6 s SER 208 CO 0.02 -1.33 -0.21 -0.54 0.98 0.00 0.00 173.24 172.17 3dq6 s LYS 209 N -3.17 1.20 -0.29 4.02 -0.14 -1.26 -1.10 119.74 118.99 3dq6 s LYS 209 Ca 0.26 -1.11 -0.16 0.00 -1.36 0.00 0.00 55.97 53.60 3dq6 s LYS 209 Cb -0.01 -1.43 -0.02 0.00 -1.68 0.00 0.00 37.83 34.68 3dq6 s LYS 209 CO 0.16 0.34 0.44 0.34 -0.76 0.00 0.00 175.35 175.87 3dq6 s ASP 210 N -1.71 6.31 0.27 2.83 -1.08 -1.26 -4.92 116.67 117.10 3dq6 s ASP 210 Ca 0.07 0.22 0.23 0.00 -0.52 0.00 0.00 52.55 52.55 3dq6 s ASP 210 Cb -0.10 -2.24 1.01 0.00 -1.46 0.00 0.00 42.92 40.14 3dq6 s ASP 210 CO 0.04 -0.30 1.70 -0.81 0.52 0.00 0.00 175.17 176.32 3dq6 n PRO 211 N 5.50 0.18 -0.37 4.34 -0.04 -1.26 -1.56 135.00 141.79 3dq6 n PRO 211 Ca -0.06 0.46 0.11 0.00 -0.04 0.00 0.00 63.50 63.97 3dq6 n PRO 211 Cb 0.50 -1.89 0.31 0.00 -0.04 0.00 0.00 33.50 32.38 3dq6 n PRO 211 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3dq6 n ASN 212 N -2.24 3.75 -4.33 3.54 3.02 -1.26 -4.90 115.26 112.83 3dq6 n ASN 212 Ca 0.01 -2.03 -0.35 0.00 -0.03 0.00 0.00 54.58 52.18 3dq6 n ASN 212 Cb 0.19 -0.47 -0.14 0.00 -0.61 0.00 0.00 39.78 38.75 3dq6 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dq6 s GLU 213 N -1.14 3.40 0.05 3.52 2.56 -0.60 -4.95 118.70 121.53 3dq6 s GLU 213 Ca 0.46 -0.63 0.14 0.00 0.00 0.00 0.00 54.97 54.95 3dq6 s GLU 213 Cb 0.25 -2.94 -0.16 0.00 2.00 0.00 0.00 34.13 33.27 3dq6 s GLU 213 CO 0.31 -0.11 0.86 0.87 -0.56 0.00 0.00 175.26 176.63 3dq6 h LYS 214 N 7.81 0.00 -7.18 4.30 1.79 -1.90 -3.47 116.57 117.92 3dq6 h LYS 214 Ca -0.39 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.57 3dq6 h LYS 214 Cb 1.17 0.00 0.10 0.00 -1.58 0.00 0.00 32.23 31.92 3dq6 h LYS 214 CO 0.60 0.44 0.38 1.03 -1.08 0.00 0.00 179.45 180.83 3dq6 s ARG 215 N -2.79 2.81 0.17 3.15 0.52 -1.26 -4.98 118.95 116.57 3dq6 s ARG 215 Ca -0.03 1.46 -0.31 0.00 -0.52 0.00 0.00 55.73 56.34 3dq6 s ARG 215 Cb 0.08 -1.95 -0.09 0.00 0.52 0.00 0.00 34.95 33.52 3dq6 s ARG 215 CO 0.81 -1.25 1.47 0.34 0.02 0.00 0.00 175.30 176.68 3dq6 s ASP 216 N -2.41 6.70 0.27 0.23 -1.08 -1.26 -4.95 116.67 114.17 3dq6 s ASP 216 Ca 0.69 2.52 -0.20 0.00 -0.52 0.00 0.00 52.55 55.03 3dq6 s ASP 216 Cb -0.22 -2.60 0.02 0.00 -1.46 0.00 0.00 42.92 38.66 3dq6 s ASP 216 CO 0.40 -0.72 0.69 -1.38 0.52 0.00 0.00 175.17 174.68 3dq6 s HIS 217 N 0.84 -0.17 -0.07 -5.34 -3.43 -1.26 -0.96 115.29 104.89 3dq6 s HIS 217 Ca 0.65 -0.27 -0.03 0.00 -0.80 0.00 0.00 55.06 54.61 3dq6 s HIS 217 Cb -0.41 0.66 0.04 0.00 -1.43 0.00 0.00 32.58 31.44 3dq6 s HIS 217 CO 0.34 -1.20 0.16 1.41 -2.00 0.00 0.00 174.74 173.45 3dq6 s MET 218 N -3.92 0.12 -0.17 -0.38 1.75 -0.51 -4.97 119.30 111.22 3dq6 s MET 218 Ca 0.11 0.36 -0.14 0.00 -1.25 0.00 0.00 55.69 54.78 3dq6 s MET 218 Cb -0.05 -0.13 -0.05 0.00 2.84 0.00 0.00 34.83 37.44 3dq6 s MET 218 CO 0.06 -0.14 0.30 0.08 -0.65 0.00 0.00 175.02 174.67 3dq6 s VAL 219 N 1.02 5.29 -0.08 10.11 1.01 -0.26 -0.31 120.40 137.18 3dq6 s VAL 219 Ca -0.08 0.56 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3dq6 s VAL 219 Cb -0.10 -3.64 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3dq6 s VAL 219 CO -0.05 0.37 -0.11 -0.22 0.00 0.00 0.00 175.10 175.09 3dq6 s LEU 220 N 0.60 1.54 -0.09 3.92 2.96 0.16 -0.78 118.68 126.99 3dq6 s LEU 220 Ca 0.17 -0.29 0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3dq6 s LEU 220 Cb -0.13 -0.82 -0.01 0.00 0.50 0.00 0.00 46.19 45.74 3dq6 s LEU 220 CO 0.04 -0.00 -0.23 -0.22 -1.32 0.00 0.00 176.35 174.62 3dq6 s LEU 221 N 0.90 2.18 0.00 -0.68 2.96 -0.23 -1.40 118.68 122.40 3dq6 s LEU 221 Ca -0.10 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.33 3dq6 s LEU 221 Cb -0.15 -1.43 -0.01 0.00 0.50 0.00 0.00 46.19 45.10 3dq6 s LEU 221 CO 0.01 0.19 -0.09 -1.61 -1.32 0.00 0.00 176.35 173.54 3dq6 s GLU 222 N 0.14 0.66 -0.07 1.98 2.02 -0.78 0.05 118.70 122.71 3dq6 s GLU 222 Ca -0.12 -0.39 0.05 0.00 0.02 0.00 0.00 54.97 54.54 3dq6 s GLU 222 Cb -0.16 -0.62 -0.01 0.00 0.10 0.00 0.00 34.13 33.44 3dq6 s GLU 222 CO 0.07 0.16 -0.24 -0.06 0.02 0.00 0.00 175.26 175.22 3dq6 s PHE 223 N -0.38 2.36 -0.04 1.61 0.08 0.16 -1.48 117.98 120.29 3dq6 s PHE 223 Ca 0.02 -0.78 -0.00 0.00 0.12 0.00 0.00 56.93 56.28 3dq6 s PHE 223 Cb -0.04 -1.56 0.03 0.00 -0.57 0.00 0.00 43.02 40.87 3dq6 s PHE 223 CO -0.00 -0.27 0.01 0.08 -0.10 0.00 0.00 175.22 174.95 3dq6 s VAL 224 N 0.01 0.13 -0.03 -0.44 1.01 0.26 -1.10 120.40 120.25 3dq6 s VAL 224 Ca -0.08 0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.08 3dq6 s VAL 224 Cb -0.15 -0.27 0.01 0.00 0.00 0.00 0.00 36.38 35.98 3dq6 s VAL 224 CO 0.05 0.16 -0.05 -0.89 0.00 0.00 0.00 175.10 174.37 3dq6 s THR 225 N 1.34 0.51 0.25 3.92 2.01 -0.71 -1.02 115.64 121.95 3dq6 s THR 225 Ca -0.05 -0.19 -0.30 0.00 0.31 0.00 0.00 61.69 61.47 3dq6 s THR 225 Cb -0.13 -0.49 -0.09 0.00 0.01 0.00 0.00 72.50 71.79 3dq6 s THR 225 CO -0.03 0.19 0.96 0.00 -0.69 0.00 0.00 174.62 175.05 3dq6 s ALA 226 N 0.43 3.33 0.02 7.40 0.00 0.48 -0.51 121.76 132.92 3dq6 s ALA 226 Ca -0.05 0.64 -0.00 0.00 0.00 0.00 0.00 51.96 52.55 3dq6 s ALA 226 Cb -0.09 -3.22 0.00 0.00 0.00 0.00 0.00 23.12 19.81 3dq6 s ALA 226 CO -0.00 0.16 0.03 0.00 0.00 0.00 0.00 175.76 175.95 3dq6 n ALA 227 N 1.36 -0.02 0.00 0.00 0.00 0.01 -4.53 120.51 117.32 3dq6 n ALA 227 Ca -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.32 3dq6 n ALA 227 Cb 0.47 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.00 3dq6 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dq6 n GLY 228 N -0.04 1.06 2.51 0.00 0.00 -1.26 -2.02 105.19 105.44 3dq6 n GLY 228 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 3dq6 n GLY 228 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3dq6 n ILE 229 N -1.87 -0.75 0.00 -0.61 5.41 -1.26 -4.68 119.36 115.60 3dq6 n ILE 229 Ca 0.00 -2.62 0.00 0.00 1.00 0.00 0.00 62.75 61.13 3dq6 n ILE 229 Cb 0.00 -0.71 0.00 0.00 -0.71 0.00 0.00 39.64 38.22 3dq6 n ILE 229 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 176.55 176.90