#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dqh h PRO -1 N 0.00 0.00 -0.58 -0.67 0.13 -2.06 0.07 132.00 128.89 3dqh h PRO -1 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 65.02 3dqh h PRO -1 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 3dqh h PRO -1 CO 0.00 0.01 -0.05 1.98 -0.23 0.00 0.00 178.00 179.71 3dqh h MET 0 N 0.00 1.06 -0.33 0.86 1.85 -2.02 -2.05 114.93 114.29 3dqh h MET 0 Ca -0.00 -0.36 -0.09 0.00 -0.61 0.00 0.00 59.70 58.64 3dqh h MET 0 Cb 0.23 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 3dqh h MET 0 CO 0.00 1.06 -0.13 0.28 -0.40 0.00 0.00 176.91 177.72 3dqh h VAL 1 N 0.95 1.29 -1.00 -5.77 2.07 -1.45 -2.85 116.25 109.49 3dqh h VAL 1 Ca 0.16 -1.22 0.16 0.00 0.82 0.00 0.00 66.70 66.63 3dqh h VAL 1 Cb 0.62 1.38 -0.10 0.00 -1.52 0.00 0.00 31.29 31.66 3dqh h VAL 1 CO 0.04 0.40 0.61 -1.28 0.02 0.00 0.00 177.57 177.36 3dqh h SER 2 N 0.45 0.83 -0.42 0.57 0.87 -0.94 -1.27 113.55 113.64 3dqh h SER 2 Ca 0.08 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3dqh h SER 2 Cb 0.65 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.51 3dqh h SER 2 CO 0.04 0.35 0.14 0.50 -0.53 0.00 0.00 176.83 177.34 3dqh h LYS 3 N 0.84 0.64 -0.39 2.24 3.64 -1.13 0.40 116.57 122.82 3dqh h LYS 3 Ca 0.55 -0.13 -0.04 0.00 -1.27 0.00 0.00 60.65 59.76 3dqh h LYS 3 Cb 0.75 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.45 3dqh h LYS 3 CO -0.34 0.62 0.10 0.78 -2.27 0.00 0.00 179.45 178.34 3dqh h GLY 4 N 0.53 0.66 0.99 5.01 0.00 -1.44 -2.11 103.07 106.72 3dqh h GLY 4 Ca 0.14 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 47.05 3dqh h GLY 4 CO -0.01 0.38 0.32 0.83 0.00 0.00 0.00 176.54 178.06 3dqh h GLU 5 N 0.48 0.82 -0.00 4.80 5.08 -0.53 -1.45 114.58 123.78 3dqh h GLU 5 Ca 0.12 -0.10 -0.09 0.00 -1.00 0.00 0.00 59.36 58.30 3dqh h GLU 5 Cb 0.30 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 3dqh h GLU 5 CO 0.00 0.63 -0.40 0.93 -1.00 0.00 0.00 179.01 179.16 3dqh h GLU 6 N 0.79 0.01 -0.00 2.33 5.08 -0.05 -2.06 114.58 120.67 3dqh h GLU 6 Ca 0.21 -0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.41 3dqh h GLU 6 Cb 0.05 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 3dqh h GLU 6 CO -0.03 0.41 -0.73 -0.07 -1.00 0.00 0.00 179.01 177.59 3dqh h LEU 7 N 0.01 0.01 -2.25 1.33 3.38 -0.83 -3.34 115.31 113.63 3dqh h LEU 7 Ca -0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dqh h LEU 7 Cb 0.72 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.46 3dqh h LEU 7 CO 0.05 0.74 0.00 0.49 0.09 0.00 0.00 178.44 179.81 3dqh n PHE 8 N -3.68 0.39 -0.21 1.13 3.01 -0.60 -4.91 117.46 112.58 3dqh n PHE 8 Ca -0.01 -0.23 -0.01 0.00 1.01 0.00 0.00 57.45 58.21 3dqh n PHE 8 Cb 0.71 -0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.24 3dqh n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dqh h THR 9 N 3.75 0.36 0.00 4.37 1.35 -1.50 -3.39 112.91 117.84 3dqh h THR 9 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 3dqh h THR 9 Cb 0.86 0.36 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3dqh h THR 9 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3dqh n GLY 10 N -1.43 2.68 3.70 5.82 0.00 -1.26 -4.70 105.19 109.99 3dqh n GLY 10 Ca 0.08 -0.67 -0.37 0.00 0.00 0.00 0.00 46.02 45.05 3dqh n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dqh s VAL 11 N 4.12 5.27 -0.14 1.61 1.01 -1.26 -4.38 120.40 126.63 3dqh s VAL 11 Ca 0.00 0.57 -0.01 0.00 0.00 0.00 0.00 61.98 62.55 3dqh s VAL 11 Cb 0.00 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.71 3dqh s VAL 11 CO 0.00 0.33 -0.11 -0.69 0.00 0.00 0.00 175.10 174.62 3dqh s VAL 12 N 0.89 3.16 0.47 2.92 1.01 0.32 -4.94 120.40 124.23 3dqh s VAL 12 Ca 0.17 -0.62 -0.22 0.00 0.00 0.00 0.00 61.98 61.30 3dqh s VAL 12 Cb -0.14 -2.34 -0.07 0.00 0.00 0.00 0.00 36.38 33.83 3dqh s VAL 12 CO 0.06 0.51 1.17 -2.16 0.00 0.00 0.00 175.10 174.68 3dqh s PRO 13 N 0.45 3.69 0.04 2.72 0.04 -1.26 -0.76 135.00 139.91 3dqh s PRO 13 Ca -0.09 1.77 0.06 0.00 0.04 0.00 0.00 61.00 62.79 3dqh s PRO 13 Cb -0.16 -2.36 -0.02 0.00 0.04 0.00 0.00 34.50 32.00 3dqh s PRO 13 CO 0.04 -0.61 -0.18 0.42 0.04 0.00 0.00 177.00 176.72 3dqh s ILE 14 N -1.56 1.43 -0.04 0.56 1.01 0.19 -1.08 121.20 121.71 3dqh s ILE 14 Ca 0.65 -1.12 0.03 0.00 0.00 0.00 0.00 60.65 60.21 3dqh s ILE 14 Cb -0.28 -1.26 0.01 0.00 0.01 0.00 0.00 42.46 40.93 3dqh s ILE 14 CO 0.34 0.11 -0.10 -0.22 0.00 0.00 0.00 174.94 175.07 3dqh s LEU 15 N -1.17 1.73 -0.03 2.97 2.96 -0.43 -1.89 118.68 122.81 3dqh s LEU 15 Ca 0.05 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.79 3dqh s LEU 15 Cb -0.08 -0.64 -0.01 0.00 0.50 0.00 0.00 46.19 45.96 3dqh s LEU 15 CO 0.02 0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.22 3dqh s VAL 16 N 0.33 1.60 -0.06 1.68 1.01 0.13 -1.20 120.40 123.89 3dqh s VAL 16 Ca -0.06 -0.84 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 3dqh s VAL 16 Cb -0.11 -1.35 0.03 0.00 0.00 0.00 0.00 36.38 34.95 3dqh s VAL 16 CO 0.01 0.45 -0.01 -1.61 0.00 0.00 0.00 175.10 173.94 3dqh s GLU 17 N -0.24 0.61 -0.07 2.72 0.41 -0.48 0.00 118.70 121.67 3dqh s GLU 17 Ca 0.02 0.05 0.03 0.00 -0.41 0.00 0.00 54.97 54.66 3dqh s GLU 17 Cb -0.10 -0.85 0.00 0.00 -1.78 0.00 0.00 34.13 31.40 3dqh s GLU 17 CO 0.01 -0.21 -0.17 -1.17 -0.49 0.00 0.00 175.26 173.22 3dqh s LEU 18 N 1.53 1.86 -0.15 1.80 0.20 0.49 -0.42 118.68 123.99 3dqh s LEU 18 Ca -0.02 -0.39 -0.02 0.00 0.69 0.00 0.00 54.13 54.38 3dqh s LEU 18 Cb -0.13 -1.05 -0.02 0.00 -0.43 0.00 0.00 46.19 44.56 3dqh s LEU 18 CO -0.03 0.11 -0.07 -1.81 -0.29 0.00 0.00 176.35 174.26 3dqh s ASP 19 N 0.36 4.51 0.04 3.68 1.01 -0.50 -1.37 116.67 124.40 3dqh s ASP 19 Ca -0.12 -0.20 0.05 0.00 0.71 0.00 0.00 52.55 52.98 3dqh s ASP 19 Cb -0.15 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.04 3dqh s ASP 19 CO 0.05 0.17 -0.13 -0.83 0.21 0.00 0.00 175.17 174.63 3dqh s GLY 20 N 0.37 0.76 -0.15 0.21 0.00 0.52 -0.79 107.32 108.23 3dqh s GLY 20 Ca -0.06 -0.80 -0.04 0.00 0.00 0.00 0.00 44.72 43.82 3dqh s GLY 20 CO 0.04 -0.77 0.18 -0.35 0.00 0.00 0.00 173.10 172.20 3dqh s ASP 21 N -1.10 1.24 -0.26 1.64 -1.08 -0.59 -1.33 116.67 115.18 3dqh s ASP 21 Ca 0.01 -0.04 0.02 0.00 -0.52 0.00 0.00 52.55 52.02 3dqh s ASP 21 Cb -0.08 0.28 0.05 0.00 -1.46 0.00 0.00 42.92 41.71 3dqh s ASP 21 CO 0.01 -0.30 -0.10 -0.69 0.52 0.00 0.00 175.17 174.61 3dqh s VAL 22 N 2.29 2.33 -1.52 1.11 1.01 -0.19 -0.17 120.40 125.27 3dqh s VAL 22 Ca 0.05 -1.49 -0.14 0.00 0.00 0.00 0.00 61.98 60.40 3dqh s VAL 22 Cb -0.14 -2.32 0.10 0.00 0.00 0.00 0.00 36.38 34.03 3dqh s VAL 22 CO -0.09 0.03 0.78 0.59 0.00 0.00 0.00 175.10 176.40 3dqh n ASN 23 N 4.49 -4.12 0.00 3.32 4.13 0.10 -0.57 115.26 122.61 3dqh n ASN 23 Ca -0.15 -0.72 0.00 0.00 1.68 0.00 0.00 54.58 55.39 3dqh n ASN 23 Cb 0.43 -3.34 0.00 0.00 -1.54 0.00 0.00 39.78 35.33 3dqh n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dqh n GLY 24 N -1.44 1.98 3.57 7.41 0.00 -1.26 -4.99 105.19 110.46 3dqh n GLY 24 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 3dqh n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dqh s HIS 25 N -3.49 2.30 0.21 1.61 3.76 0.26 -5.01 115.29 114.93 3dqh s HIS 25 Ca 0.00 0.43 -0.17 0.00 -0.15 0.00 0.00 55.06 55.17 3dqh s HIS 25 Cb 0.00 -4.42 -0.08 0.00 1.11 0.00 0.00 32.58 29.19 3dqh s HIS 25 CO 0.00 -1.96 0.67 0.15 -0.85 0.00 0.00 174.74 172.75 3dqh s LYS 26 N 5.52 4.11 -0.06 1.40 1.02 -1.26 -1.02 119.74 129.45 3dqh s LYS 26 Ca 0.50 0.70 -0.29 0.00 0.02 0.00 0.00 55.97 56.90 3dqh s LYS 26 Cb -0.10 -2.82 0.11 0.00 -0.52 0.00 0.00 37.83 34.50 3dqh s LYS 26 CO 0.24 0.38 0.89 -0.59 -0.92 0.00 0.00 175.35 175.35 3dqh s PHE 27 N -1.59 -0.40 0.05 3.18 -0.71 -0.44 -4.93 117.98 113.15 3dqh s PHE 27 Ca 0.43 0.48 0.05 0.00 -1.04 0.00 0.00 56.93 56.86 3dqh s PHE 27 Cb -0.15 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.13 3dqh s PHE 27 CO 0.20 -0.49 -0.15 -1.12 -1.34 0.00 0.00 175.22 172.32 3dqh s SER 28 N -1.83 1.82 0.00 1.98 0.01 -1.26 -0.36 113.70 114.06 3dqh s SER 28 Ca 0.00 -0.53 0.03 0.00 1.31 0.00 0.00 55.95 56.76 3dqh s SER 28 Cb -0.01 -0.10 -0.01 0.00 0.21 0.00 0.00 66.02 66.11 3dqh s SER 28 CO -0.03 0.01 -0.09 -0.69 0.41 0.00 0.00 173.24 172.86 3dqh s VAL 29 N -1.00 0.68 -0.04 3.43 1.01 -0.47 -1.26 120.40 122.75 3dqh s VAL 29 Ca 0.01 -0.47 0.07 0.00 0.00 0.00 0.00 61.98 61.59 3dqh s VAL 29 Cb -0.09 -0.59 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3dqh s VAL 29 CO 0.02 0.12 -0.25 -0.44 0.00 0.00 0.00 175.10 174.55 3dqh s SER 30 N -0.39 3.06 0.06 3.32 0.01 -0.44 -0.37 113.70 118.96 3dqh s SER 30 Ca 0.02 -0.49 0.05 0.00 1.31 0.00 0.00 55.95 56.84 3dqh s SER 30 Cb -0.04 -0.65 -0.03 0.00 0.21 0.00 0.00 66.02 65.52 3dqh s SER 30 CO -0.00 0.27 -0.14 -0.83 0.41 0.00 0.00 173.24 172.95 3dqh s GLY 31 N -0.34 0.84 0.06 3.44 0.00 0.10 -0.24 107.32 111.17 3dqh s GLY 31 Ca 0.02 -0.95 0.04 0.00 0.00 0.00 0.00 44.72 43.83 3dqh s GLY 31 CO 0.02 -0.96 -0.11 -0.54 0.00 0.00 0.00 173.10 171.51 3dqh s GLU 32 N -1.57 0.68 0.00 2.90 2.02 -0.70 -0.69 118.70 121.34 3dqh s GLU 32 Ca -0.01 -0.86 0.00 0.00 0.02 0.00 0.00 54.97 54.12 3dqh s GLU 32 Cb -0.09 -0.58 0.00 0.00 0.10 0.00 0.00 34.13 33.56 3dqh s GLU 32 CO 0.02 0.12 0.00 0.41 0.02 0.00 0.00 175.26 175.83 3dqh n GLY 33 N 1.38 -0.63 3.28 -1.39 0.00 -0.79 -1.03 105.19 106.00 3dqh n GLY 33 Ca -0.22 -0.54 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 3dqh n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dqh s GLU 34 N -1.18 0.85 0.08 1.61 -1.05 -0.37 -0.64 118.70 118.00 3dqh s GLU 34 Ca 0.00 -0.44 0.04 0.00 -0.15 0.00 0.00 54.97 54.42 3dqh s GLU 34 Cb 0.00 0.37 -0.03 0.00 -0.44 0.00 0.00 34.13 34.03 3dqh s GLU 34 CO 0.00 -0.28 -0.12 0.20 0.95 0.00 0.00 175.26 176.01 3dqh s GLY 35 N -2.03 0.83 -0.38 -3.83 0.00 0.06 -1.42 107.32 100.56 3dqh s GLY 35 Ca -0.05 -1.06 0.01 0.00 0.00 0.00 0.00 44.72 43.62 3dqh s GLY 35 CO -0.03 -1.11 0.23 -0.35 0.00 0.00 0.00 173.10 171.85 3dqh s ASP 36 N -2.02 2.97 0.50 1.64 -1.08 -0.07 -0.52 116.67 118.09 3dqh s ASP 36 Ca 0.00 -2.37 0.16 0.00 -0.52 0.00 0.00 52.55 49.83 3dqh s ASP 36 Cb -0.07 -0.53 1.20 0.00 -1.46 0.00 0.00 42.92 42.06 3dqh s ASP 36 CO 0.01 -0.29 2.10 0.00 0.52 0.00 0.00 175.17 177.52 3dqh h ALA 37 N 6.82 1.89 -1.03 3.66 0.00 -1.76 -0.62 119.26 128.22 3dqh h ALA 37 Ca 0.07 -0.05 0.25 0.00 0.00 0.00 0.00 54.91 55.18 3dqh h ALA 37 Cb 0.95 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.63 3dqh h ALA 37 CO 0.32 0.07 0.64 1.15 0.00 0.00 0.00 179.25 181.43 3dqh h THR 38 N 0.00 0.54 -0.01 0.00 2.02 -1.84 -2.11 112.91 111.51 3dqh h THR 38 Ca -0.00 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3dqh h THR 38 Cb 0.10 0.01 0.00 0.00 -1.74 0.00 0.00 68.15 66.53 3dqh h THR 38 CO 0.01 0.09 -0.38 -1.22 0.37 0.00 0.00 175.52 174.38 3dqh n TYR 39 N -4.73 0.00 -2.11 3.16 4.01 -0.68 -4.92 117.16 111.89 3dqh n TYR 39 Ca 0.26 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.88 3dqh n TYR 39 Cb 0.81 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.83 3dqh n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dqh n GLY 40 N 1.20 0.07 3.48 2.72 0.00 -0.33 -4.69 105.19 107.64 3dqh n GLY 40 Ca 0.07 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.36 3dqh n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqh s LYS 41 N -4.39 3.54 -0.02 1.61 2.20 -0.73 -0.85 119.74 121.09 3dqh s LYS 41 Ca 0.00 -0.55 0.05 0.00 -0.36 0.00 0.00 55.97 55.10 3dqh s LYS 41 Cb 0.00 -2.83 -0.01 0.00 -1.51 0.00 0.00 37.83 33.48 3dqh s LYS 41 CO 0.00 0.28 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.60 3dqh s LEU 42 N 0.25 1.97 -0.11 5.43 1.02 -0.13 -0.89 118.68 126.21 3dqh s LEU 42 Ca -0.04 -0.30 0.01 0.00 0.02 0.00 0.00 54.13 53.82 3dqh s LEU 42 Cb -0.14 -0.85 0.02 0.00 0.02 0.00 0.00 46.19 45.23 3dqh s LEU 42 CO 0.03 0.17 -0.14 -0.89 0.02 0.00 0.00 176.35 175.55 3dqh s THR 43 N -0.19 1.40 -0.01 5.49 2.01 -0.50 -1.43 115.64 122.41 3dqh s THR 43 Ca 0.02 -0.58 -0.04 0.00 0.31 0.00 0.00 61.69 61.40 3dqh s THR 43 Cb -0.08 -1.30 -0.00 0.00 0.01 0.00 0.00 72.50 71.13 3dqh s THR 43 CO 0.00 0.42 0.08 -0.76 -0.69 0.00 0.00 174.62 173.67 3dqh s LEU 44 N 1.06 1.77 -0.09 4.42 1.43 -0.14 -1.24 118.68 125.90 3dqh s LEU 44 Ca -0.06 -0.13 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 3dqh s LEU 44 Cb -0.15 0.39 0.02 0.00 0.03 0.00 0.00 46.19 46.48 3dqh s LEU 44 CO -0.02 -0.22 -0.13 -0.75 0.23 0.00 0.00 176.35 175.46 3dqh s LYS 45 N -0.85 1.88 -0.06 1.70 2.20 -0.20 -0.55 119.74 123.86 3dqh s LYS 45 Ca -0.09 -0.45 0.01 0.00 -0.36 0.00 0.00 55.97 55.08 3dqh s LYS 45 Cb -0.06 -1.63 -0.03 0.00 -1.51 0.00 0.00 37.83 34.61 3dqh s LYS 45 CO 0.00 -0.05 -0.08 -0.06 -0.36 0.00 0.00 175.35 174.80 3dqh s PHE 46 N 0.96 2.91 -0.09 4.03 0.08 0.75 -1.72 117.98 124.89 3dqh s PHE 46 Ca -0.08 -0.00 0.02 0.00 0.12 0.00 0.00 56.93 56.99 3dqh s PHE 46 Cb -0.15 -1.69 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 3dqh s PHE 46 CO -0.00 0.32 -0.15 0.42 -0.10 0.00 0.00 175.22 175.70 3dqh s ILE 47 N -0.82 1.42 -0.41 0.64 1.01 0.66 -0.95 121.20 122.75 3dqh s ILE 47 Ca 0.13 -0.63 -0.29 0.00 0.00 0.00 0.00 60.65 59.86 3dqh s ILE 47 Cb -0.11 -1.28 0.01 0.00 0.01 0.00 0.00 42.46 41.10 3dqh s ILE 47 CO 0.02 0.42 1.33 0.00 0.00 0.00 0.00 174.94 176.71 3dqh n THR 49 N 6.86 0.00 0.59 0.00 -2.24 -0.39 -3.56 114.28 115.54 3dqh n THR 49 Ca 0.15 -0.12 0.10 0.00 -2.27 0.00 0.00 64.05 61.91 3dqh n THR 49 Cb 0.48 0.29 0.12 0.00 -2.10 0.00 0.00 70.33 69.12 3dqh n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dqh n THR 50 N -0.69 0.21 0.00 4.28 -2.24 -1.25 -4.99 114.28 109.60 3dqh n THR 50 Ca 0.13 -0.60 0.00 0.00 -2.27 0.00 0.00 64.05 61.30 3dqh n THR 50 Cb 0.33 1.22 0.00 0.00 -2.10 0.00 0.00 70.33 69.79 3dqh n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dqh n GLY 51 N 1.16 0.21 3.72 3.38 0.00 -1.23 -5.00 105.19 107.43 3dqh n GLY 51 Ca 0.13 -1.39 -0.41 0.00 0.00 0.00 0.00 46.02 44.35 3dqh n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dqh s LYS 52 N 0.00 4.63 -0.03 1.61 2.20 -1.26 -4.48 119.74 122.41 3dqh s LYS 52 Ca 0.00 1.47 -0.30 0.00 -0.36 0.00 0.00 55.97 56.77 3dqh s LYS 52 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 3dqh s LYS 52 CO 0.00 0.10 1.22 -1.17 -0.36 0.00 0.00 175.35 175.14 3dqh s LEU 53 N 0.38 4.30 0.00 5.43 2.96 -1.26 -4.93 118.68 125.56 3dqh s LEU 53 Ca 0.49 1.88 0.13 0.00 -0.22 0.00 0.00 54.13 56.42 3dqh s LEU 53 Cb -0.23 -3.56 0.51 0.00 0.50 0.00 0.00 46.19 43.41 3dqh s LEU 53 CO 0.29 -0.58 1.37 -0.81 -1.32 0.00 0.00 176.35 175.31 3dqh n PRO 54 N 5.02 1.55 -4.31 0.98 -0.04 -1.26 -4.78 135.00 132.16 3dqh n PRO 54 Ca 0.11 -0.84 -0.16 0.00 -0.04 0.00 0.00 63.50 62.56 3dqh n PRO 54 Cb 0.46 -1.27 -0.10 0.00 -0.04 0.00 0.00 33.50 32.55 3dqh n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dqh s VAL 55 N -1.75 1.23 0.24 0.52 -7.23 -1.26 -4.55 120.40 107.60 3dqh s VAL 55 Ca 0.23 -2.08 -0.30 0.00 -1.81 0.00 0.00 61.98 58.03 3dqh s VAL 55 Cb 0.12 -2.12 -0.10 0.00 0.56 0.00 0.00 36.38 34.85 3dqh s VAL 55 CO 0.18 -0.52 1.37 -2.84 -0.31 0.00 0.00 175.10 172.97 3dqh s PRO 56 N -3.78 4.33 0.28 4.82 0.02 -1.26 -4.93 135.00 134.49 3dqh s PRO 56 Ca 0.23 2.19 0.02 0.00 0.02 0.00 0.00 61.00 63.46 3dqh s PRO 56 Cb 0.03 -3.14 0.66 0.00 0.02 0.00 0.00 34.50 32.07 3dqh s PRO 56 CO 0.06 -0.32 1.71 -1.49 -0.33 0.00 0.00 177.00 176.63 3dqh h TRP 57 N 4.94 0.65 -0.21 6.54 4.06 -1.96 -1.11 115.95 128.86 3dqh h TRP 57 Ca -0.46 0.04 0.06 0.00 2.06 0.00 0.00 58.89 60.59 3dqh h TRP 57 Cb 1.22 -0.15 -0.01 0.00 -1.00 0.00 0.00 29.16 29.22 3dqh h TRP 57 CO 0.60 0.01 0.17 -1.35 -3.56 0.00 0.00 178.44 174.31 3dqh h PRO 58 N 0.44 0.00 0.00 0.49 0.11 -1.90 -1.12 132.00 130.03 3dqh h PRO 58 Ca 0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.63 3dqh h PRO 58 Cb 0.93 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.04 3dqh h PRO 58 CO -0.49 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 177.55 3dqh n THR 59 N -4.27 0.89 0.85 -1.15 -2.24 -0.42 -2.59 114.28 105.35 3dqh n THR 59 Ca 0.02 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.16 3dqh n THR 59 Cb 0.31 -1.17 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 3dqh n THR 59 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3dqh n LEU 60 N -2.09 1.51 -0.12 3.22 4.77 -0.43 -4.60 117.00 119.27 3dqh n LEU 60 Ca 0.02 -0.68 -0.05 0.00 -0.03 0.00 0.00 56.01 55.27 3dqh n LEU 60 Cb 0.20 0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.31 3dqh n LEU 60 CO 0.18 0.30 0.78 0.58 -1.33 0.00 0.00 177.39 177.90 3dqh h VAL 61 N 1.42 0.60 0.00 4.08 2.07 -1.49 -0.23 116.25 122.70 3dqh h VAL 61 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 3dqh h VAL 61 Cb 0.57 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 3dqh h VAL 61 CO 0.00 0.00 -0.25 0.71 0.02 0.00 0.00 177.57 178.05 3dqh h THR 62 N -0.01 1.09 -0.09 2.57 1.35 -1.81 -2.83 112.91 113.19 3dqh h THR 62 Ca 0.19 -0.87 -0.22 0.00 -0.55 0.00 0.00 66.41 64.95 3dqh h THR 62 Cb 0.29 1.48 0.01 0.00 -1.73 0.00 0.00 68.15 68.21 3dqh h THR 62 CO -0.41 0.24 -0.81 0.74 -0.25 0.00 0.00 175.52 175.03 3dqh h THR 63 N 0.00 1.30 0.00 6.82 2.02 -1.56 -3.45 112.91 118.04 3dqh h THR 63 Ca -0.00 -2.05 -0.30 0.00 0.77 0.00 0.00 66.41 64.83 3dqh h THR 63 Cb 0.46 2.19 -0.01 0.00 -1.74 0.00 0.00 68.15 69.05 3dqh h THR 63 CO 0.03 0.64 1.65 0.49 0.37 0.00 0.00 175.52 178.70 3dqh n PHE 64 N -3.97 0.91 0.00 3.16 3.72 -0.20 -5.06 117.46 116.01 3dqh n PHE 64 Ca -0.09 -1.66 0.00 0.00 -0.05 0.00 0.00 57.45 55.65 3dqh n PHE 64 Cb 0.77 -1.54 0.00 0.00 -0.94 0.00 0.00 39.48 37.77 3dqh n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dqh n LEU 68 N 3.53 0.00 0.31 4.37 4.77 -1.26 -5.04 117.00 123.68 3dqh n LEU 68 Ca 0.41 0.00 0.20 0.00 -0.03 0.00 0.00 56.01 56.58 3dqh n LEU 68 Cb 0.32 0.00 0.97 0.00 -2.33 0.00 0.00 43.42 42.38 3dqh n LEU 68 CO 0.50 0.00 1.09 0.24 -1.33 0.00 0.00 177.39 177.89 3dqh h MET 69 N 0.00 0.00 0.00 3.23 2.86 -1.99 -0.71 114.93 118.32 3dqh h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dqh h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dqh h MET 69 CO 0.00 0.01 0.00 0.00 1.06 0.00 0.00 176.91 177.98 3dqh n PHE 71 N -1.77 0.29 -1.95 0.00 3.72 -0.27 -4.69 117.46 112.80 3dqh n PHE 71 Ca 0.01 -0.15 -0.37 0.00 -0.05 0.00 0.00 57.45 56.89 3dqh n PHE 71 Cb 0.07 0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3dqh n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dqh s ALA 72 N -1.71 2.63 -0.50 4.37 0.00 -0.64 -4.04 121.76 121.87 3dqh s ALA 72 Ca 0.29 1.11 -0.23 0.00 0.00 0.00 0.00 51.96 53.13 3dqh s ALA 72 Cb 0.16 -3.49 0.04 0.00 0.00 0.00 0.00 23.12 19.83 3dqh s ALA 72 CO 0.23 -1.22 0.81 0.50 0.00 0.00 0.00 175.76 176.08 3dqh s ARG 73 N -3.17 3.31 -0.29 0.00 3.52 0.37 -4.77 118.95 117.92 3dqh s ARG 73 Ca 0.75 -0.35 -0.23 0.00 -0.13 0.00 0.00 55.73 55.77 3dqh s ARG 73 Cb -0.34 -4.02 -0.00 0.00 -1.56 0.00 0.00 34.95 29.03 3dqh s ARG 73 CO 0.37 -1.29 0.79 0.71 -0.81 0.00 0.00 175.30 175.07 3dqh s TYR 74 N 3.40 3.23 0.66 5.12 1.51 -1.26 -0.70 117.35 129.31 3dqh s TYR 74 Ca 0.27 0.89 -0.17 0.00 -1.01 0.00 0.00 57.07 57.05 3dqh s TYR 74 Cb -0.14 -3.15 -0.05 0.00 -0.11 0.00 0.00 41.96 38.51 3dqh s TYR 74 CO 0.19 -0.51 0.68 -2.30 -1.11 0.00 0.00 175.55 172.49 3dqh n PRO 75 N 6.13 0.50 -0.23 -1.71 -0.02 -1.26 -4.70 135.00 133.71 3dqh n PRO 75 Ca 0.04 0.21 0.03 0.00 -2.02 0.00 0.00 63.50 61.76 3dqh n PRO 75 Cb 0.48 -1.92 0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3dqh n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dqh h ASP 76 N -0.02 -0.30 0.22 2.55 3.58 -2.00 0.33 116.42 120.78 3dqh h ASP 76 Ca -0.46 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3dqh h ASP 76 Cb 1.36 0.30 0.00 0.00 1.72 0.00 0.00 39.33 42.72 3dqh h ASP 76 CO 0.46 -0.14 0.00 0.00 -2.88 0.00 0.00 179.24 176.68 3dqh n HIS 77 N -5.31 0.08 0.58 0.28 1.44 -1.26 -2.27 115.22 108.76 3dqh n HIS 77 Ca 0.11 0.04 0.07 0.00 -2.01 0.00 0.00 57.72 55.93 3dqh n HIS 77 Cb 0.41 -0.56 0.05 0.00 0.12 0.00 0.00 29.99 30.01 3dqh n HIS 77 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 176.34 172.20 3dqh n MET 78 N -1.58 1.08 -0.33 -1.40 2.81 0.08 -4.75 117.12 113.04 3dqh n MET 78 Ca 0.01 -1.22 0.26 0.00 -1.81 0.00 0.00 57.70 54.95 3dqh n MET 78 Cb 0.08 -1.25 0.56 0.00 -0.71 0.00 0.00 33.22 31.90 3dqh n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dqh h LYS 79 N 2.49 0.29 0.00 0.03 1.79 -1.16 0.11 116.57 120.13 3dqh h LYS 79 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3dqh h LYS 79 Cb 0.55 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 31.14 3dqh h LYS 79 CO 0.00 0.19 0.00 1.04 -1.08 0.00 0.00 179.45 179.60 3dqh n GLN 80 N -4.56 0.01 -0.22 3.15 6.02 -1.26 -2.83 117.38 117.70 3dqh n GLN 80 Ca 0.26 0.37 0.09 0.00 -0.01 0.00 0.00 57.00 57.71 3dqh n GLN 80 Cb 0.98 -1.50 0.21 0.00 1.02 0.00 0.00 30.24 30.96 3dqh n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dqh n HIS 81 N -1.48 0.57 -3.08 1.08 8.25 0.38 -4.67 115.22 116.28 3dqh n HIS 81 Ca 0.02 -0.37 -0.45 0.00 -0.26 0.00 0.00 57.72 56.66 3dqh n HIS 81 Cb 0.08 -0.01 -0.02 0.00 1.12 0.00 0.00 29.99 31.16 3dqh n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dqh s ASP 82 N -1.15 6.79 0.24 0.41 -1.08 -1.13 -4.46 116.67 116.29 3dqh s ASP 82 Ca 0.35 -2.49 -0.07 0.00 -0.52 0.00 0.00 52.55 49.82 3dqh s ASP 82 Cb 0.19 -2.33 0.25 0.00 -1.46 0.00 0.00 42.92 39.57 3dqh s ASP 82 CO 0.26 -0.81 1.92 0.15 0.52 0.00 0.00 175.17 177.20 3dqh h PHE 83 N 8.12 1.20 -0.26 -5.34 3.57 -1.90 -3.08 116.94 119.24 3dqh h PHE 83 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.66 3dqh h PHE 83 Cb 1.00 -0.40 -0.01 0.00 2.79 0.00 0.00 35.95 39.32 3dqh h PHE 83 CO 1.09 0.74 0.02 0.74 -2.23 0.00 0.00 178.31 178.68 3dqh h PHE 84 N 1.28 0.48 -0.01 0.41 0.04 -1.88 -1.85 116.94 115.42 3dqh h PHE 84 Ca 0.35 -0.07 -0.11 0.00 2.80 0.00 0.00 57.97 60.94 3dqh h PHE 84 Cb -0.13 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 3dqh h PHE 84 CO -0.00 0.58 -0.52 0.87 -0.60 0.00 0.00 178.31 178.64 3dqh h LYS 85 N 0.25 0.02 0.00 1.51 1.57 -1.84 -3.19 116.57 114.90 3dqh h LYS 85 Ca 0.08 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.82 3dqh h LYS 85 Cb 0.37 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 3dqh h LYS 85 CO 0.01 0.54 -0.12 0.66 -0.57 0.00 0.00 179.45 179.97 3dqh h SER 86 N 0.02 0.00 1.01 0.86 4.64 -1.25 -0.40 113.55 118.42 3dqh h SER 86 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dqh h SER 86 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 3dqh h SER 86 CO 0.07 0.12 -0.04 0.00 -0.87 0.00 0.00 176.83 176.11 3dqh n ALA 87 N -2.39 2.42 -2.01 5.18 0.00 -0.93 -4.77 120.51 118.01 3dqh n ALA 87 Ca -0.02 -0.11 -0.31 0.00 0.00 0.00 0.00 53.44 53.00 3dqh n ALA 87 Cb 0.21 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.19 3dqh n ALA 87 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3dqh s MET 88 N -3.01 3.77 0.12 0.00 1.00 -0.16 -0.63 119.30 120.40 3dqh s MET 88 Ca 0.13 0.67 0.26 0.00 0.00 0.00 0.00 55.69 56.75 3dqh s MET 88 Cb 0.18 -2.23 0.74 0.00 0.00 0.00 0.00 34.83 33.52 3dqh s MET 88 CO 0.55 -0.25 1.65 -0.35 0.00 0.00 0.00 175.02 176.62 3dqh n PRO 89 N -1.81 0.19 -0.25 2.03 -0.04 -1.26 -4.85 135.00 129.01 3dqh n PRO 89 Ca 0.04 0.12 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 3dqh n PRO 89 Cb 0.54 -1.69 0.11 0.00 -0.04 0.00 0.00 33.50 32.43 3dqh n PRO 89 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3dqh h GLU 90 N 0.00 0.73 0.00 0.54 3.07 -1.91 -2.91 114.58 114.10 3dqh h GLU 90 Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3dqh h GLU 90 Cb 0.67 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.42 3dqh h GLU 90 CO 0.00 0.48 0.00 0.41 -1.40 0.00 0.00 179.01 178.50 3dqh n GLY 91 N -1.30 -0.36 3.16 -3.84 0.00 0.20 -4.67 105.19 98.38 3dqh n GLY 91 Ca 0.10 -2.22 -0.08 0.00 0.00 0.00 0.00 46.02 43.81 3dqh n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dqh s TYR 92 N 0.00 0.37 0.03 1.61 -0.85 -0.39 -0.82 117.35 117.29 3dqh s TYR 92 Ca 0.00 -0.84 -0.20 0.00 -0.52 0.00 0.00 57.07 55.51 3dqh s TYR 92 Cb 0.00 -0.23 -0.06 0.00 0.38 0.00 0.00 41.96 42.05 3dqh s TYR 92 CO 0.00 -0.48 0.57 0.08 -1.52 0.00 0.00 175.55 174.20 3dqh s VAL 93 N -3.91 4.84 -0.19 -3.49 1.01 0.40 -0.89 120.40 118.17 3dqh s VAL 93 Ca 0.08 1.21 0.01 0.00 0.00 0.00 0.00 61.98 63.28 3dqh s VAL 93 Cb 0.06 -3.91 0.04 0.00 0.00 0.00 0.00 36.38 32.57 3dqh s VAL 93 CO -0.09 0.49 -0.12 -1.58 0.00 0.00 0.00 175.10 173.79 3dqh s GLN 94 N -0.64 2.21 0.01 2.72 0.74 0.15 -2.24 119.66 122.61 3dqh s GLN 94 Ca 0.30 -0.80 0.08 0.00 0.05 0.00 0.00 55.36 54.99 3dqh s GLN 94 Cb -0.19 -2.38 -0.03 0.00 1.10 0.00 0.00 33.01 31.51 3dqh s GLN 94 CO 0.18 -0.37 -0.24 -1.21 -0.55 0.00 0.00 175.29 173.10 3dqh s GLU 95 N 1.39 2.02 0.06 1.67 2.02 0.12 -0.81 118.70 125.17 3dqh s GLU 95 Ca 0.00 -0.99 0.00 0.00 0.02 0.00 0.00 54.97 54.01 3dqh s GLU 95 Cb -0.15 -2.07 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 3dqh s GLU 95 CO -0.09 0.54 -0.05 1.03 0.02 0.00 0.00 175.26 176.72 3dqh s ARG 96 N -0.97 0.60 -0.10 1.61 0.52 -0.61 -1.15 118.95 118.85 3dqh s ARG 96 Ca 0.11 -1.06 0.03 0.00 -0.52 0.00 0.00 55.73 54.29 3dqh s ARG 96 Cb -0.10 0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.38 3dqh s ARG 96 CO 0.01 -0.05 -0.21 0.99 0.02 0.00 0.00 175.30 176.06 3dqh s THR 97 N -2.99 1.87 -0.22 0.02 2.01 -0.43 -1.11 115.64 114.80 3dqh s THR 97 Ca 0.01 -0.90 -0.01 0.00 0.31 0.00 0.00 61.69 61.10 3dqh s THR 97 Cb 0.01 -1.64 0.02 0.00 0.01 0.00 0.00 72.50 70.90 3dqh s THR 97 CO -0.05 0.52 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.65 3dqh s ILE 98 N 0.51 2.60 -0.37 1.82 1.01 0.28 -0.74 121.20 126.31 3dqh s ILE 98 Ca -0.16 -0.92 -0.12 0.00 0.00 0.00 0.00 60.65 59.45 3dqh s ILE 98 Cb -0.17 -2.22 0.01 0.00 0.01 0.00 0.00 42.46 40.09 3dqh s ILE 98 CO 0.06 0.37 0.24 -0.36 0.00 0.00 0.00 174.94 175.24 3dqh s PHE 99 N 1.33 3.23 -0.20 3.97 0.08 -0.03 -0.45 117.98 125.90 3dqh s PHE 99 Ca 0.03 -0.61 -0.23 0.00 0.12 0.00 0.00 56.93 56.23 3dqh s PHE 99 Cb -0.15 -2.48 -0.02 0.00 -0.57 0.00 0.00 43.02 39.80 3dqh s PHE 99 CO -0.08 -0.53 0.76 -0.06 -0.10 0.00 0.00 175.22 175.21 3dqh s PHE 100 N 1.64 3.37 0.27 0.36 0.40 -0.16 -0.76 117.98 123.10 3dqh s PHE 100 Ca 0.04 1.10 -0.30 0.00 -0.60 0.00 0.00 56.93 57.17 3dqh s PHE 100 Cb -0.18 -2.95 -0.11 0.00 0.51 0.00 0.00 43.02 40.29 3dqh s PHE 100 CO 0.09 -0.26 1.57 0.21 0.70 0.00 0.00 175.22 177.52 3dqh s LYS 101 N 2.25 4.16 -1.62 0.44 2.47 -0.36 -1.15 119.74 125.93 3dqh s LYS 101 Ca 0.34 2.50 0.00 0.00 -1.56 0.00 0.00 55.97 57.25 3dqh s LYS 101 Cb -0.16 -3.06 0.00 0.00 -1.46 0.00 0.00 37.83 33.15 3dqh s LYS 101 CO 0.10 -0.59 0.00 -0.25 0.16 0.00 0.00 175.35 174.77 3dqh n ASP 102 N 2.49 -4.95 0.00 1.43 8.00 -1.26 -4.82 116.55 117.45 3dqh n ASP 102 Ca 0.09 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.84 3dqh n ASP 102 Cb 0.38 -3.96 0.00 0.00 -0.02 0.00 0.00 41.12 37.52 3dqh n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dqh n ASP 103 N -0.84 0.00 -2.02 -2.24 -0.08 -0.30 -4.94 116.55 106.12 3dqh n ASP 103 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 3dqh n ASP 103 Cb 0.58 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.04 3dqh n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dqh n GLY 104 N 0.00 -0.41 3.11 0.27 0.00 -1.18 -4.58 105.19 102.40 3dqh n GLY 104 Ca 0.00 -1.77 -0.15 0.00 0.00 0.00 0.00 46.02 44.10 3dqh n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dqh s ASN 105 N -1.00 1.17 -0.04 1.61 2.20 -0.60 -0.98 114.94 117.30 3dqh s ASN 105 Ca 0.00 -0.60 -0.03 0.00 -0.94 0.00 0.00 52.86 51.29 3dqh s ASN 105 Cb 0.00 0.01 -0.04 0.00 -2.00 0.00 0.00 41.25 39.22 3dqh s ASN 105 CO 0.00 -0.17 0.14 -0.31 -2.94 0.00 0.00 177.10 173.81 3dqh s TYR 106 N -1.47 3.47 -0.09 1.54 2.02 0.41 -1.20 117.35 122.04 3dqh s TYR 106 Ca -0.06 0.35 0.04 0.00 -0.37 0.00 0.00 57.07 57.03 3dqh s TYR 106 Cb -0.09 -1.83 0.00 0.00 -0.40 0.00 0.00 41.96 39.64 3dqh s TYR 106 CO 0.01 0.63 -0.22 0.15 -1.57 0.00 0.00 175.55 174.56 3dqh s LYS 107 N -1.64 2.67 -0.01 -0.62 1.02 0.90 -0.56 119.74 121.50 3dqh s LYS 107 Ca 0.23 -0.78 0.05 0.00 0.02 0.00 0.00 55.97 55.48 3dqh s LYS 107 Cb -0.12 -2.08 -0.01 0.00 -0.52 0.00 0.00 37.83 35.10 3dqh s LYS 107 CO 0.14 0.18 -0.16 0.95 -0.92 0.00 0.00 175.35 175.53 3dqh s THR 108 N 0.32 1.30 -0.08 2.17 -4.23 -0.26 -0.81 115.64 114.04 3dqh s THR 108 Ca -0.15 -0.70 0.02 0.00 -1.18 0.00 0.00 61.69 59.68 3dqh s THR 108 Cb -0.17 -1.09 0.01 0.00 1.34 0.00 0.00 72.50 72.60 3dqh s THR 108 CO 0.07 0.37 -0.15 -0.60 -0.54 0.00 0.00 174.62 173.77 3dqh s ARG 109 N -0.36 2.04 0.08 3.99 3.52 -0.57 -1.57 118.95 126.09 3dqh s ARG 109 Ca 0.06 -0.52 0.04 0.00 -0.13 0.00 0.00 55.73 55.18 3dqh s ARG 109 Cb -0.07 -1.67 -0.03 0.00 -1.56 0.00 0.00 34.95 31.62 3dqh s ARG 109 CO -0.00 0.02 -0.12 0.00 -0.81 0.00 0.00 175.30 174.39 3dqh s ALA 110 N 0.74 1.08 -0.12 6.12 0.00 0.01 -0.89 121.76 128.70 3dqh s ALA 110 Ca -0.12 -1.06 0.02 0.00 0.00 0.00 0.00 51.96 50.80 3dqh s ALA 110 Cb -0.16 -0.03 0.01 0.00 0.00 0.00 0.00 23.12 22.95 3dqh s ALA 110 CO 0.03 0.06 -0.18 -1.21 0.00 0.00 0.00 175.76 174.45 3dqh s GLU 111 N -2.19 2.59 -0.23 0.00 2.02 -0.36 -0.68 118.70 119.85 3dqh s GLU 111 Ca 0.00 -0.70 -0.04 0.00 0.02 0.00 0.00 54.97 54.26 3dqh s GLU 111 Cb -0.07 -2.14 -0.00 0.00 0.10 0.00 0.00 34.13 32.01 3dqh s GLU 111 CO 0.01 -0.04 -0.03 0.08 0.02 0.00 0.00 175.26 175.30 3dqh s VAL 112 N 0.92 3.38 0.14 2.63 1.01 -0.07 -1.45 120.40 126.96 3dqh s VAL 112 Ca -0.07 -0.57 -0.25 0.00 0.00 0.00 0.00 61.98 61.10 3dqh s VAL 112 Cb -0.15 -2.58 0.07 0.00 0.00 0.00 0.00 36.38 33.71 3dqh s VAL 112 CO -0.02 0.36 0.80 -1.59 0.00 0.00 0.00 175.10 174.66 3dqh s LYS 113 N 1.47 1.25 0.28 2.72 -2.85 -0.36 -1.27 119.74 120.98 3dqh s LYS 113 Ca 0.05 -0.60 -0.26 0.00 -1.00 0.00 0.00 55.97 54.16 3dqh s LYS 113 Cb -0.15 0.49 -0.09 0.00 -2.06 0.00 0.00 37.83 36.02 3dqh s LYS 113 CO -0.03 -0.56 0.90 -0.06 0.10 0.00 0.00 175.35 175.70 3dqh s PHE 114 N -3.49 3.76 -0.40 1.78 0.08 -1.10 -0.58 117.98 118.02 3dqh s PHE 114 Ca 0.07 1.75 0.03 0.00 0.12 0.00 0.00 56.93 58.90 3dqh s PHE 114 Cb -0.02 -2.89 0.12 0.00 -0.57 0.00 0.00 43.02 39.66 3dqh s PHE 114 CO -0.03 0.29 0.15 -1.21 -0.10 0.00 0.00 175.22 174.33 3dqh s GLU 115 N -1.82 1.43 6.11 0.44 0.41 0.27 -4.92 118.70 120.62 3dqh s GLU 115 Ca 0.47 -1.95 0.00 0.00 -0.41 0.00 0.00 54.97 53.07 3dqh s GLU 115 Cb -0.20 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.32 3dqh s GLU 115 CO 0.25 -1.04 0.00 0.41 -0.49 0.00 0.00 175.26 174.39 3dqh n GLY 116 N 3.91 1.74 0.12 -1.39 0.00 -1.26 -1.87 105.19 106.45 3dqh n GLY 116 Ca 0.04 -0.52 0.14 0.00 0.00 0.00 0.00 46.02 45.68 3dqh n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dqh n ASP 117 N 4.64 0.46 -4.73 1.61 8.00 -1.26 -4.86 116.55 120.42 3dqh n ASP 117 Ca 0.00 -0.69 -0.35 0.00 0.71 0.00 0.00 54.79 54.45 3dqh n ASP 117 Cb 0.00 -0.07 -0.08 0.00 -0.02 0.00 0.00 41.12 40.95 3dqh n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dqh s THR 118 N -2.36 5.00 -0.32 -3.53 2.01 -0.78 -4.38 115.64 111.28 3dqh s THR 118 Ca 0.33 0.03 -0.18 0.00 0.31 0.00 0.00 61.69 62.18 3dqh s THR 118 Cb 0.20 -3.21 -0.01 0.00 0.01 0.00 0.00 72.50 69.49 3dqh s THR 118 CO 0.44 0.53 0.50 -0.22 -0.69 0.00 0.00 174.62 175.19 3dqh s LEU 119 N -0.26 4.22 -0.08 4.42 1.98 -0.24 -0.57 118.68 128.16 3dqh s LEU 119 Ca 0.09 0.17 0.00 0.00 -2.89 0.00 0.00 54.13 51.51 3dqh s LEU 119 Cb -0.12 -2.60 -0.03 0.00 0.66 0.00 0.00 46.19 44.10 3dqh s LEU 119 CO 0.01 -0.40 -0.07 -0.69 -1.89 0.00 0.00 176.35 173.31 3dqh s VAL 120 N 2.35 3.66 -0.31 1.68 1.01 0.25 -1.32 120.40 127.72 3dqh s VAL 120 Ca 0.19 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.72 3dqh s VAL 120 Cb -0.15 -2.51 0.09 0.00 0.00 0.00 0.00 36.38 33.80 3dqh s VAL 120 CO 0.12 0.58 0.01 0.21 0.00 0.00 0.00 175.10 176.02 3dqh s ASN 121 N -0.61 4.54 -0.24 3.32 2.47 -0.34 -1.22 114.94 122.87 3dqh s ASN 121 Ca 0.09 -1.86 -0.10 0.00 0.42 0.00 0.00 52.86 51.42 3dqh s ASN 121 Cb -0.12 -1.49 -0.05 0.00 -1.45 0.00 0.00 41.25 38.15 3dqh s ASN 121 CO 0.02 -0.33 0.13 -0.13 -3.72 0.00 0.00 177.10 173.07 3dqh s ARG 122 N 1.06 3.98 -0.02 0.43 0.52 -0.53 -1.38 118.95 123.01 3dqh s ARG 122 Ca 0.05 -0.32 0.05 0.00 -0.52 0.00 0.00 55.73 55.00 3dqh s ARG 122 Cb -0.19 -3.46 -0.01 0.00 0.52 0.00 0.00 34.95 31.80 3dqh s ARG 122 CO -0.09 0.03 -0.18 0.42 0.02 0.00 0.00 175.30 175.50 3dqh s ILE 123 N 1.10 1.46 -0.10 1.52 1.01 0.43 -1.22 121.20 125.40 3dqh s ILE 123 Ca 0.06 -0.78 0.01 0.00 0.00 0.00 0.00 60.65 59.95 3dqh s ILE 123 Cb -0.14 -1.22 -0.02 0.00 0.01 0.00 0.00 42.46 41.09 3dqh s ILE 123 CO 0.04 0.42 -0.14 -1.61 0.00 0.00 0.00 174.94 173.65 3dqh s GLU 124 N -0.34 3.09 -0.06 2.79 2.02 -0.07 -1.41 118.70 124.73 3dqh s GLU 124 Ca 0.05 -0.70 0.04 0.00 0.02 0.00 0.00 54.97 54.38 3dqh s GLU 124 Cb -0.08 -2.53 -0.00 0.00 0.10 0.00 0.00 34.13 31.62 3dqh s GLU 124 CO -0.00 0.34 -0.19 -1.17 0.02 0.00 0.00 175.26 174.26 3dqh s LEU 125 N 0.01 1.92 -0.10 1.80 0.20 0.03 -1.51 118.68 121.04 3dqh s LEU 125 Ca -0.04 -0.40 0.03 0.00 0.69 0.00 0.00 54.13 54.40 3dqh s LEU 125 Cb -0.14 -1.08 0.01 0.00 -0.43 0.00 0.00 46.19 44.55 3dqh s LEU 125 CO 0.04 0.15 -0.17 -0.54 -0.29 0.00 0.00 176.35 175.54 3dqh s LYS 126 N 0.16 2.39 -0.01 1.98 -0.14 0.01 -1.54 119.74 122.58 3dqh s LYS 126 Ca -0.08 -0.64 0.07 0.00 -1.36 0.00 0.00 55.97 53.96 3dqh s LYS 126 Cb -0.14 -1.92 -0.02 0.00 -1.68 0.00 0.00 37.83 34.07 3dqh s LYS 126 CO 0.04 0.03 -0.23 0.20 -0.76 0.00 0.00 175.35 174.63 3dqh s GLY 127 N 0.71 1.38 0.05 -3.33 0.00 0.76 -0.07 107.32 106.81 3dqh s GLY 127 Ca -0.12 -1.12 -0.00 0.00 0.00 0.00 0.00 44.72 43.48 3dqh s GLY 127 CO 0.03 -0.94 -0.04 -0.26 0.00 0.00 0.00 173.10 171.89 3dqh s ILE 128 N -0.70 0.28 -1.74 0.90 -4.36 -0.34 -0.73 121.20 114.52 3dqh s ILE 128 Ca 0.11 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.93 3dqh s ILE 128 Cb -0.10 -1.19 0.00 0.00 1.25 0.00 0.00 42.46 42.41 3dqh s ILE 128 CO 0.00 -0.83 0.00 0.47 0.24 0.00 0.00 174.94 174.82 3dqh n ASP 129 N 0.52 -5.17 -4.81 4.36 8.00 -1.26 -1.55 116.55 116.64 3dqh n ASP 129 Ca -0.17 0.25 -0.34 0.00 0.71 0.00 0.00 54.79 55.25 3dqh n ASP 129 Cb 0.59 -4.24 -0.05 0.00 -0.02 0.00 0.00 41.12 37.40 3dqh n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dqh s PHE 130 N -2.76 3.19 -0.08 1.24 0.08 -1.26 -3.11 117.98 115.28 3dqh s PHE 130 Ca 0.00 1.60 -0.30 0.00 0.12 0.00 0.00 56.93 58.36 3dqh s PHE 130 Cb 0.00 -2.96 -0.02 0.00 -0.57 0.00 0.00 43.02 39.47 3dqh s PHE 130 CO 0.00 -0.44 1.01 0.15 -0.10 0.00 0.00 175.22 175.84 3dqh s LYS 131 N -3.12 4.45 0.59 0.44 1.02 -1.26 -4.89 119.74 116.97 3dqh s LYS 131 Ca 0.64 1.41 0.30 0.00 0.02 0.00 0.00 55.97 58.34 3dqh s LYS 131 Cb -0.13 -3.52 1.85 0.00 -0.52 0.00 0.00 37.83 35.51 3dqh s LYS 131 CO 0.17 -0.26 2.26 0.93 -0.92 0.00 0.00 175.35 177.53 3dqh h GLU 132 N 7.04 0.00 -0.12 1.68 4.39 -1.96 -1.59 114.58 124.03 3dqh h GLU 132 Ca -0.33 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.37 3dqh h GLU 132 Cb 1.16 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.81 3dqh h GLU 132 CO 0.83 0.00 0.00 -0.40 -1.16 0.00 0.00 179.01 178.28 3dqh n ASP 133 N -3.81 2.61 -2.24 1.42 5.68 -1.26 -3.68 116.55 115.27 3dqh n ASP 133 Ca -0.03 -2.46 0.00 0.00 -0.50 0.00 0.00 54.79 51.80 3dqh n ASP 133 Cb 0.08 -0.26 0.00 0.00 -1.14 0.00 0.00 41.12 39.80 3dqh n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqh n GLY 134 N -0.54 -0.60 0.24 6.12 0.00 -0.60 -4.65 105.19 105.17 3dqh n GLY 134 Ca 0.10 -1.71 0.12 0.00 0.00 0.00 0.00 46.02 44.53 3dqh n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dqh h ASN 135 N 0.00 0.00 0.00 1.61 2.35 -1.92 -0.79 115.58 116.83 3dqh h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dqh h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dqh h ASN 135 CO 0.00 0.16 -0.21 -0.38 -1.65 0.00 0.00 177.43 175.35 3dqh n ILE 136 N -3.35 0.46 0.28 2.81 -0.00 -1.26 -1.28 119.36 117.01 3dqh n ILE 136 Ca -0.00 0.40 0.16 0.00 -0.00 0.00 0.00 62.75 63.32 3dqh n ILE 136 Cb 0.37 -1.78 0.76 0.00 -0.00 0.00 0.00 39.64 38.99 3dqh n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dqh h LEU 137 N -0.32 0.00 -0.67 1.39 3.38 -1.72 -1.36 115.31 116.01 3dqh h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dqh h LEU 137 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dqh h LEU 137 CO 0.00 0.06 0.00 0.61 0.09 0.00 0.00 178.44 179.20 3dqh n GLY 138 N -0.28 -0.26 3.80 0.83 0.00 -0.30 -4.85 105.19 104.13 3dqh n GLY 138 Ca -0.01 -0.33 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 3dqh n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dqh n HIS 139 N -0.15 -1.77 -0.26 1.61 8.25 -0.51 -4.91 115.22 117.47 3dqh n HIS 139 Ca 0.18 0.35 0.07 0.00 -0.26 0.00 0.00 57.72 58.06 3dqh n HIS 139 Cb 0.25 -3.22 0.19 0.00 1.12 0.00 0.00 29.99 28.33 3dqh n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dqh n LYS 140 N -4.36 2.88 -3.67 -0.41 5.02 -0.41 -4.99 118.16 112.22 3dqh n LYS 140 Ca -0.10 -2.21 -0.37 0.00 -2.02 0.00 0.00 58.31 53.60 3dqh n LYS 140 Cb 0.58 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 3dqh n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dqh s LEU 141 N -1.11 4.42 0.49 -0.35 1.43 -1.25 -0.54 118.68 121.77 3dqh s LEU 141 Ca 0.29 0.73 -0.23 0.00 -1.03 0.00 0.00 54.13 53.89 3dqh s LEU 141 Cb 0.16 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.85 3dqh s LEU 141 CO 0.19 0.33 1.25 -1.61 0.23 0.00 0.00 176.35 176.73 3dqh s GLU 142 N -1.25 3.53 -1.27 1.70 2.02 0.04 -4.81 118.70 118.66 3dqh s GLU 142 Ca 0.22 1.98 -0.16 0.00 0.02 0.00 0.00 54.97 57.04 3dqh s GLU 142 Cb -0.14 -2.37 0.11 0.00 0.10 0.00 0.00 34.13 31.83 3dqh s GLU 142 CO 0.11 -0.80 1.65 0.98 0.02 0.00 0.00 175.26 177.22 3dqh n TYR 143 N -0.66 4.64 -3.41 1.61 9.36 -1.26 -4.82 117.16 122.61 3dqh n TYR 143 Ca 0.08 -3.06 -0.02 0.00 3.32 0.00 0.00 57.90 58.22 3dqh n TYR 143 Cb 0.47 -2.42 0.01 0.00 -0.63 0.00 0.00 39.34 36.77 3dqh n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dqh n ASN 144 N 6.90 -0.71 -3.64 2.98 0.23 -1.26 -4.90 115.26 114.86 3dqh n ASN 144 Ca 0.44 -1.45 -0.07 0.00 -0.53 0.00 0.00 54.58 52.97 3dqh n ASN 144 Cb 0.44 1.18 -0.07 0.00 -2.08 0.00 0.00 39.78 39.25 3dqh n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dqh s TYR 145 N -5.78 -0.79 0.27 -2.53 5.04 -1.26 -4.88 117.35 107.41 3dqh s TYR 145 Ca 0.07 1.67 -0.01 0.00 -2.44 0.00 0.00 57.07 56.36 3dqh s TYR 145 Cb -0.01 0.45 -0.04 0.00 0.35 0.00 0.00 41.96 42.71 3dqh s TYR 145 CO 0.03 -0.39 0.48 -0.80 -1.34 0.00 0.00 175.55 173.53 3dqh s ASN 146 N 1.14 6.37 0.35 4.32 0.01 -1.26 -4.77 114.94 121.10 3dqh s ASN 146 Ca -0.06 0.48 -0.26 0.00 -0.71 0.00 0.00 52.86 52.31 3dqh s ASN 146 Cb -0.05 -2.04 -0.09 0.00 0.41 0.00 0.00 41.25 39.48 3dqh s ASN 146 CO -0.13 -0.16 1.08 -0.44 -1.51 0.00 0.00 177.10 175.93 3dqh s SER 147 N -3.47 6.96 0.04 -1.22 0.01 -1.26 -4.64 113.70 110.11 3dqh s SER 147 Ca 0.40 2.15 -0.06 0.00 1.31 0.00 0.00 55.95 59.75 3dqh s SER 147 Cb -0.10 -2.60 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 3dqh s SER 147 CO 0.31 -0.36 0.11 -1.00 0.41 0.00 0.00 173.24 172.72 3dqh s HIS 148 N -1.43 0.18 0.04 2.43 3.76 -0.96 -5.01 115.29 114.30 3dqh s HIS 148 Ca 0.52 -0.48 -0.02 0.00 -0.15 0.00 0.00 55.06 54.94 3dqh s HIS 148 Cb -0.27 -0.13 -0.04 0.00 1.11 0.00 0.00 32.58 33.26 3dqh s HIS 148 CO 0.34 -0.38 0.22 -0.80 -0.85 0.00 0.00 174.74 173.27 3dqh s ASN 149 N -2.15 6.38 -0.21 1.40 0.02 -1.26 -0.88 114.94 118.25 3dqh s ASN 149 Ca -0.05 0.34 0.00 0.00 -1.02 0.00 0.00 52.86 52.14 3dqh s ASN 149 Cb -0.01 -1.99 0.02 0.00 0.02 0.00 0.00 41.25 39.29 3dqh s ASN 149 CO -0.05 0.19 -0.14 -0.69 0.02 0.00 0.00 177.10 176.43 3dqh s VAL 150 N -1.46 2.38 -0.21 1.60 1.01 0.10 -4.74 120.40 119.09 3dqh s VAL 150 Ca 0.33 -0.98 -0.14 0.00 0.00 0.00 0.00 61.98 61.19 3dqh s VAL 150 Cb -0.13 -2.10 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3dqh s VAL 150 CO 0.24 0.40 0.31 -0.31 0.00 0.00 0.00 175.10 175.74 3dqh s TYR 151 N 1.30 3.37 -0.14 5.22 2.02 -1.13 -0.98 117.35 127.00 3dqh s TYR 151 Ca 0.03 0.49 -0.03 0.00 -0.37 0.00 0.00 57.07 57.19 3dqh s TYR 151 Cb -0.15 -2.41 -0.03 0.00 -0.40 0.00 0.00 41.96 38.97 3dqh s TYR 151 CO -0.09 0.06 -0.06 0.42 -1.57 0.00 0.00 175.55 174.31 3dqh s ILE 152 N 1.08 3.74 0.15 2.71 1.01 0.17 -2.93 121.20 127.14 3dqh s ILE 152 Ca 0.15 -0.42 0.07 0.00 0.00 0.00 0.00 60.65 60.45 3dqh s ILE 152 Cb -0.14 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.67 3dqh s ILE 152 CO 0.06 0.51 -0.16 0.00 0.00 0.00 0.00 174.94 175.36 3dqh s MET 153 N 0.21 1.17 0.53 2.79 0.23 -0.45 -1.99 119.30 121.79 3dqh s MET 153 Ca -0.03 -1.36 -0.20 0.00 -1.03 0.00 0.00 55.69 53.06 3dqh s MET 153 Cb -0.14 -1.10 -0.06 0.00 -1.53 0.00 0.00 34.83 32.00 3dqh s MET 153 CO 0.03 0.21 1.15 0.00 -2.03 0.00 0.00 175.02 174.38 3dqh s ALA 154 N -2.25 2.75 -0.65 3.16 0.00 -1.25 -0.90 121.76 122.63 3dqh s ALA 154 Ca 0.14 0.88 0.06 0.00 0.00 0.00 0.00 51.96 53.03 3dqh s ALA 154 Cb -0.04 -3.38 0.21 0.00 0.00 0.00 0.00 23.12 19.91 3dqh s ALA 154 CO 0.05 -0.79 0.60 -3.47 0.00 0.00 0.00 175.76 172.15 3dqh n ASP 155 N -1.12 3.02 -0.29 0.00 -0.08 0.33 -4.55 116.55 113.87 3dqh n ASP 155 Ca 0.11 -3.25 -0.04 0.00 -1.51 0.00 0.00 54.79 50.10 3dqh n ASP 155 Cb 0.50 -0.70 0.11 0.00 2.34 0.00 0.00 41.12 43.36 3dqh n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dqh h LYS 156 N 4.79 1.17 -0.32 -0.67 1.57 -1.94 -1.79 116.57 119.40 3dqh h LYS 156 Ca 0.17 -0.17 0.09 0.00 -1.87 0.00 0.00 60.65 58.88 3dqh h LYS 156 Cb 0.73 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.81 3dqh h LYS 156 CO 0.74 0.90 0.27 1.96 -0.57 0.00 0.00 179.45 182.75 3dqh h GLN 157 N 1.17 0.00 -0.43 3.15 4.20 -1.94 -1.06 115.11 120.19 3dqh h GLN 157 Ca 0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.99 3dqh h GLN 157 Cb 0.10 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.88 3dqh h GLN 157 CO -0.04 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.75 3dqh n LYS 158 N -4.09 3.05 -3.45 1.46 5.02 -0.72 -4.99 118.16 114.44 3dqh n LYS 158 Ca 0.05 -2.45 -0.25 0.00 -2.02 0.00 0.00 58.31 53.64 3dqh n LYS 158 Cb 0.44 -1.55 0.01 0.00 -0.02 0.00 0.00 35.03 33.91 3dqh n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dqh n ASN 159 N 0.55 -4.52 0.00 4.39 5.15 -0.40 -4.84 115.26 115.59 3dqh n ASN 159 Ca 0.18 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 3dqh n ASN 159 Cb 0.64 -3.68 0.00 0.00 -0.53 0.00 0.00 39.78 36.21 3dqh n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dqh n GLY 160 N -1.39 4.69 3.18 8.20 0.00 -0.93 -4.37 105.19 114.57 3dqh n GLY 160 Ca -0.02 -0.86 -0.11 0.00 0.00 0.00 0.00 46.02 45.03 3dqh n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dqh s ILE 161 N 0.33 0.75 0.09 -0.61 -4.36 -0.75 -0.51 121.20 116.15 3dqh s ILE 161 Ca 0.00 -1.95 0.06 0.00 -0.26 0.00 0.00 60.65 58.49 3dqh s ILE 161 Cb 0.00 -1.74 -0.03 0.00 1.25 0.00 0.00 42.46 41.94 3dqh s ILE 161 CO 0.00 -0.83 -0.15 -0.54 0.24 0.00 0.00 174.94 173.67 3dqh s LYS 162 N -3.83 0.92 -0.11 0.37 1.02 -0.08 -1.34 119.74 116.70 3dqh s LYS 162 Ca 0.13 -1.09 -0.07 0.00 0.02 0.00 0.00 55.97 54.97 3dqh s LYS 162 Cb 0.05 -0.89 0.04 0.00 -0.52 0.00 0.00 37.83 36.51 3dqh s LYS 162 CO -0.03 0.19 0.27 0.08 -0.92 0.00 0.00 175.35 174.93 3dqh s VAL 163 N -1.63 -0.02 0.00 3.17 1.01 -0.37 -1.34 120.40 121.21 3dqh s VAL 163 Ca 0.03 0.09 0.02 0.00 0.00 0.00 0.00 61.98 62.12 3dqh s VAL 163 Cb -0.08 -0.40 -0.01 0.00 0.00 0.00 0.00 36.38 35.90 3dqh s VAL 163 CO 0.03 0.04 -0.06 0.21 0.00 0.00 0.00 175.10 175.31 3dqh s ASN 164 N 0.86 0.71 -0.12 3.32 3.84 -1.15 -0.53 114.94 121.88 3dqh s ASN 164 Ca -0.06 -0.16 -0.33 0.00 0.21 0.00 0.00 52.86 52.51 3dqh s ASN 164 Cb -0.07 -0.06 0.14 0.00 -0.55 0.00 0.00 41.25 40.70 3dqh s ASN 164 CO -0.06 0.04 1.29 0.72 -2.79 0.00 0.00 177.10 176.30 3dqh s PHE 165 N -0.29 -0.06 -0.10 0.43 -0.71 -0.79 -2.86 117.98 113.60 3dqh s PHE 165 Ca 0.01 0.00 0.02 0.00 -1.04 0.00 0.00 56.93 55.92 3dqh s PHE 165 Cb -0.03 0.52 -0.02 0.00 -1.21 0.00 0.00 43.02 42.29 3dqh s PHE 165 CO -0.00 -0.19 -0.15 0.15 -1.34 0.00 0.00 175.22 173.69 3dqh s LYS 166 N -2.33 3.04 -0.11 1.99 1.02 -1.26 -0.25 119.74 121.83 3dqh s LYS 166 Ca 0.12 -0.72 -0.02 0.00 0.02 0.00 0.00 55.97 55.37 3dqh s LYS 166 Cb 0.02 -2.50 -0.03 0.00 -0.52 0.00 0.00 37.83 34.81 3dqh s LYS 166 CO -0.04 0.35 -0.03 0.42 -0.92 0.00 0.00 175.35 175.12 3dqh s ILE 167 N -0.01 3.99 -0.31 2.17 -1.09 -0.40 -4.93 121.20 120.62 3dqh s ILE 167 Ca -0.04 -0.35 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 3dqh s ILE 167 Cb -0.14 -2.70 0.03 0.00 -1.58 0.00 0.00 42.46 38.07 3dqh s ILE 167 CO 0.04 0.55 0.07 -0.13 -1.23 0.00 0.00 174.94 174.25 3dqh s ARG 168 N -0.33 2.75 -0.25 2.79 0.52 -1.26 -0.06 118.95 123.11 3dqh s ARG 168 Ca 0.06 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 54.05 3dqh s ARG 168 Cb -0.12 -3.36 -0.04 0.00 0.52 0.00 0.00 34.95 31.94 3dqh s ARG 168 CO 0.02 -0.57 0.33 -1.01 0.02 0.00 0.00 175.30 174.09 3dqh s HIS 169 N 1.41 3.29 0.19 -0.53 3.76 -0.34 -4.57 115.29 118.49 3dqh s HIS 169 Ca -0.01 0.42 -0.31 0.00 -0.15 0.00 0.00 55.06 55.01 3dqh s HIS 169 Cb -0.19 -2.50 -0.10 0.00 1.11 0.00 0.00 32.58 30.90 3dqh s HIS 169 CO 0.02 -0.12 1.57 -0.80 -0.85 0.00 0.00 174.74 174.56 3dqh s ASN 170 N 1.40 6.56 0.16 1.40 -0.87 -1.26 -0.23 114.94 122.09 3dqh s ASN 170 Ca 0.14 2.67 -0.05 0.00 -1.57 0.00 0.00 52.86 54.05 3dqh s ASN 170 Cb -0.15 -2.60 -0.06 0.00 -0.02 0.00 0.00 41.25 38.42 3dqh s ASN 170 CO 0.09 -0.83 0.40 -0.63 -2.57 0.00 0.00 177.10 173.56 3dqh s ILE 171 N 0.94 5.14 0.56 0.60 1.01 0.04 -0.78 121.20 128.70 3dqh s ILE 171 Ca 0.69 0.05 0.33 0.00 0.00 0.00 0.00 60.65 61.72 3dqh s ILE 171 Cb -0.44 -3.63 0.48 0.00 0.01 0.00 0.00 42.46 38.88 3dqh s ILE 171 CO 0.34 -0.00 1.82 1.05 0.00 0.00 0.00 174.94 178.14 3dqh h GLU 172 N 2.68 0.00 -0.08 2.79 4.11 -1.13 -1.50 114.58 121.45 3dqh h GLU 172 Ca -0.46 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.97 3dqh h GLU 172 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 3dqh h GLU 172 CO 0.72 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.40 3dqh n ASP 173 N -4.04 0.73 0.00 3.06 5.68 -1.26 -4.90 116.55 115.83 3dqh n ASP 173 Ca 0.19 -1.62 0.00 0.00 -0.50 0.00 0.00 54.79 52.86 3dqh n ASP 173 Cb 1.05 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.97 3dqh n ASP 173 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dqh n GLY 174 N 0.91 2.63 0.18 6.12 0.00 -0.56 -5.08 105.19 109.38 3dqh n GLY 174 Ca 0.13 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.14 3dqh n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dqh n SER 175 N 0.00 0.03 -4.19 1.61 2.88 -1.25 -4.80 113.62 107.89 3dqh n SER 175 Ca 0.00 -1.03 -0.20 0.00 -1.33 0.00 0.00 58.87 56.31 3dqh n SER 175 Cb 0.00 -0.04 -0.12 0.00 -0.75 0.00 0.00 64.21 63.30 3dqh n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dqh s VAL 176 N -0.65 1.25 -0.32 2.46 -7.23 -1.26 -0.78 120.40 113.86 3dqh s VAL 176 Ca 0.03 -1.29 -0.05 0.00 -1.81 0.00 0.00 61.98 58.87 3dqh s VAL 176 Cb -0.00 -1.17 0.04 0.00 0.56 0.00 0.00 36.38 35.81 3dqh s VAL 176 CO 0.02 -0.13 0.07 -1.58 -0.31 0.00 0.00 175.10 173.17 3dqh s GLN 177 N -1.63 2.57 0.17 4.82 2.00 0.67 -4.89 119.66 123.37 3dqh s GLN 177 Ca 0.01 -1.20 -0.30 0.00 -2.00 0.00 0.00 55.36 51.86 3dqh s GLN 177 Cb -0.10 -3.36 -0.08 0.00 0.80 0.00 0.00 33.01 30.28 3dqh s GLN 177 CO 0.02 -0.64 1.26 -0.51 -0.50 0.00 0.00 175.29 174.92 3dqh s LEU 178 N 1.35 4.42 -0.28 3.68 1.43 -1.26 -1.20 118.68 126.82 3dqh s LEU 178 Ca -0.03 2.28 0.01 0.00 -1.03 0.00 0.00 54.13 55.36 3dqh s LEU 178 Cb -0.20 -3.60 0.08 0.00 0.03 0.00 0.00 46.19 42.50 3dqh s LEU 178 CO 0.01 -0.47 0.02 0.00 0.23 0.00 0.00 176.35 176.15 3dqh s ALA 179 N 0.24 2.11 -0.31 4.21 0.00 0.91 -1.22 121.76 127.70 3dqh s ALA 179 Ca 0.56 -1.77 -0.21 0.00 0.00 0.00 0.00 51.96 50.53 3dqh s ALA 179 Cb -0.34 -1.63 -0.01 0.00 0.00 0.00 0.00 23.12 21.14 3dqh s ALA 179 CO 0.36 -1.46 0.67 -0.51 0.00 0.00 0.00 175.76 174.82 3dqh s ASP 180 N 1.31 6.54 -0.21 0.00 1.11 0.06 -1.28 116.67 124.21 3dqh s ASP 180 Ca 0.03 0.48 -0.13 0.00 0.18 0.00 0.00 52.55 53.11 3dqh s ASP 180 Cb -0.18 -2.35 -0.05 0.00 1.07 0.00 0.00 42.92 41.41 3dqh s ASP 180 CO -0.12 -0.52 0.27 -1.00 1.18 0.00 0.00 175.17 174.98 3dqh s HIS 181 N 2.71 3.37 -0.10 4.23 3.76 0.65 -0.85 115.29 129.05 3dqh s HIS 181 Ca 0.27 0.44 0.01 0.00 -0.15 0.00 0.00 55.06 55.64 3dqh s HIS 181 Cb -0.15 -2.36 -0.02 0.00 1.11 0.00 0.00 32.58 31.16 3dqh s HIS 181 CO 0.12 0.09 -0.14 0.71 -0.85 0.00 0.00 174.74 174.68 3dqh s TYR 182 N 0.97 2.77 -0.00 1.40 1.51 0.08 -1.88 117.35 122.20 3dqh s TYR 182 Ca 0.13 -0.50 -0.02 0.00 -1.01 0.00 0.00 57.07 55.68 3dqh s TYR 182 Cb -0.14 -1.77 -0.00 0.00 -0.11 0.00 0.00 41.96 39.94 3dqh s TYR 182 CO 0.05 -0.09 0.03 -1.14 -1.11 0.00 0.00 175.55 173.30 3dqh s GLN 183 N 0.01 0.22 0.03 -0.62 0.74 0.31 -1.32 119.66 119.03 3dqh s GLN 183 Ca -0.04 -0.25 0.02 0.00 0.05 0.00 0.00 55.36 55.13 3dqh s GLN 183 Cb -0.14 0.09 -0.02 0.00 1.10 0.00 0.00 33.01 34.03 3dqh s GLN 183 CO 0.04 -0.04 -0.06 -0.65 -0.55 0.00 0.00 175.29 174.03 3dqh s GLN 184 N -0.74 0.45 0.01 1.67 -0.21 -0.30 -1.24 119.66 119.29 3dqh s GLN 184 Ca -0.08 -0.68 0.03 0.00 0.02 0.00 0.00 55.36 54.64 3dqh s GLN 184 Cb -0.05 -0.17 -0.01 0.00 1.00 0.00 0.00 33.01 33.77 3dqh s GLN 184 CO -0.00 0.02 -0.08 -0.80 -2.12 0.00 0.00 175.29 172.31 3dqh s ASN 185 N -1.47 0.95 0.01 5.90 -0.87 -0.45 -0.70 114.94 118.31 3dqh s ASN 185 Ca -0.11 -0.25 -0.03 0.00 -1.57 0.00 0.00 52.86 50.89 3dqh s ASN 185 Cb -0.10 -0.07 -0.01 0.00 -0.02 0.00 0.00 41.25 41.06 3dqh s ASN 185 CO -0.00 0.02 0.05 0.42 -2.57 0.00 0.00 177.10 175.03 3dqh s THR 186 N -0.49 0.09 0.55 1.60 -4.23 -0.95 -1.81 115.64 110.39 3dqh s THR 186 Ca 0.00 -0.71 -0.19 0.00 -1.18 0.00 0.00 61.69 59.61 3dqh s THR 186 Cb -0.05 -0.31 -0.05 0.00 1.34 0.00 0.00 72.50 73.42 3dqh s THR 186 CO 0.00 -0.39 1.15 -2.16 -0.54 0.00 0.00 174.62 172.68 3dqh s PRO 187 N -1.25 3.27 -0.05 3.99 0.04 -1.26 -0.45 135.00 139.29 3dqh s PRO 187 Ca -0.14 1.66 -0.13 0.00 0.04 0.00 0.00 61.00 62.44 3dqh s PRO 187 Cb -0.08 -1.99 -0.30 0.00 0.04 0.00 0.00 34.50 32.17 3dqh s PRO 187 CO 0.00 -0.92 0.68 0.82 0.04 0.00 0.00 177.00 177.61 3dqh h ILE 188 N 1.14 1.00 -4.17 0.56 2.04 -1.27 -3.44 117.51 113.36 3dqh h ILE 188 Ca -0.50 -2.50 -0.45 0.00 1.00 0.00 0.00 64.86 62.41 3dqh h ILE 188 Cb 1.27 2.79 0.14 0.00 -0.74 0.00 0.00 36.82 40.28 3dqh h ILE 188 CO 0.57 0.82 0.33 -0.83 0.00 0.00 0.00 178.15 179.04 3dqh s GLY 189 N -5.02 1.63 0.00 5.37 0.00 -1.26 -5.00 107.32 103.04 3dqh s GLY 189 Ca -0.16 -0.78 0.25 0.00 0.00 0.00 0.00 44.72 44.03 3dqh s GLY 189 CO 0.84 -0.14 1.42 1.34 0.00 0.00 0.00 173.10 176.57 3dqh n ASP 190 N -3.80 1.62 -4.69 1.64 2.03 -1.26 -4.96 116.55 107.12 3dqh n ASP 190 Ca 0.10 -1.30 -0.32 0.00 0.52 0.00 0.00 54.79 53.79 3dqh n ASP 190 Cb 0.60 0.20 0.15 0.00 -0.72 0.00 0.00 41.12 41.35 3dqh n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dqh s GLY 191 N -2.35 1.83 0.76 0.27 0.00 -1.26 -5.01 107.32 101.55 3dqh s GLY 191 Ca 0.25 0.65 -0.11 0.00 0.00 0.00 0.00 44.72 45.52 3dqh s GLY 191 CO 0.48 1.06 1.08 2.56 0.00 0.00 0.00 173.10 178.29 3dqh s PRO 192 N -4.51 2.38 0.20 2.90 0.04 -1.26 -5.06 135.00 129.68 3dqh s PRO 192 Ca 0.68 1.01 0.02 0.00 0.04 0.00 0.00 61.00 62.76 3dqh s PRO 192 Cb -0.24 -1.92 -0.05 0.00 0.04 0.00 0.00 34.50 32.33 3dqh s PRO 192 CO 0.55 -1.51 0.02 0.14 0.04 0.00 0.00 177.00 176.24 3dqh s VAL 193 N -2.98 0.73 -0.31 -0.36 -7.23 -1.26 -4.78 120.40 104.21 3dqh s VAL 193 Ca 0.60 -1.99 -0.22 0.00 -1.81 0.00 0.00 61.98 58.56 3dqh s VAL 193 Cb -0.16 -2.24 -0.00 0.00 0.56 0.00 0.00 36.38 34.53 3dqh s VAL 193 CO 0.56 -0.37 0.72 -0.76 -0.31 0.00 0.00 175.10 174.93 3dqh s LEU 194 N -3.22 4.12 -0.16 1.32 1.43 -1.26 -5.05 118.68 115.86 3dqh s LEU 194 Ca 0.27 0.53 -0.17 0.00 -1.03 0.00 0.00 54.13 53.72 3dqh s LEU 194 Cb 0.06 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.29 3dqh s LEU 194 CO 0.06 -0.57 0.46 -0.76 0.23 0.00 0.00 176.35 175.78 3dqh s LEU 195 N 2.81 4.22 0.31 1.79 1.43 -1.26 -3.84 118.68 124.14 3dqh s LEU 195 Ca 0.29 0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 54.01 3dqh s LEU 195 Cb -0.14 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.38 3dqh s LEU 195 CO 0.13 -0.06 0.62 -2.16 0.23 0.00 0.00 176.35 175.11 3dqh s PRO 196 N 1.02 3.73 0.75 1.29 0.04 -1.26 -4.87 135.00 135.69 3dqh s PRO 196 Ca 0.23 0.23 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 3dqh s PRO 196 Cb -0.15 -2.56 0.05 0.00 0.04 0.00 0.00 34.50 31.87 3dqh s PRO 196 CO 0.09 0.16 1.11 -0.51 0.04 0.00 0.00 177.00 177.89 3dqh s ASP 197 N -2.95 4.53 0.13 6.66 1.11 -1.26 -3.83 116.67 121.06 3dqh s ASP 197 Ca 0.47 1.94 -0.35 0.00 0.18 0.00 0.00 52.55 54.79 3dqh s ASP 197 Cb -0.11 -2.54 -0.16 0.00 1.07 0.00 0.00 42.92 41.19 3dqh s ASP 197 CO 0.28 -2.02 1.36 0.59 1.18 0.00 0.00 175.17 176.56 3dqh n ASN 198 N -3.21 1.97 -2.03 0.27 3.02 -1.26 -4.84 115.26 109.19 3dqh n ASN 198 Ca 0.10 1.12 -0.04 0.00 -0.03 0.00 0.00 54.58 55.72 3dqh n ASN 198 Cb 0.52 -1.26 0.02 0.00 -0.61 0.00 0.00 39.78 38.45 3dqh n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dqh n HIS 199 N 2.46 -1.60 -4.21 3.10 1.44 -0.84 -4.76 115.22 110.81 3dqh n HIS 199 Ca 0.17 -0.95 -0.12 0.00 -2.01 0.00 0.00 57.72 54.81 3dqh n HIS 199 Cb 0.23 0.47 -0.10 0.00 0.12 0.00 0.00 29.99 30.71 3dqh n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dqh s TYR 200 N -4.98 1.06 -0.15 -1.40 -0.85 -0.53 -0.65 117.35 109.86 3dqh s TYR 200 Ca 0.09 -0.92 -0.05 0.00 -0.52 0.00 0.00 57.07 55.68 3dqh s TYR 200 Cb -0.02 -0.60 -0.03 0.00 0.38 0.00 0.00 41.96 41.68 3dqh s TYR 200 CO 0.06 -0.13 0.01 -0.51 -1.52 0.00 0.00 175.55 173.46 3dqh s LEU 201 N -3.11 3.53 -0.23 -3.49 1.43 -0.15 -0.62 118.68 116.04 3dqh s LEU 201 Ca 0.17 0.02 -0.09 0.00 -1.03 0.00 0.00 54.13 53.19 3dqh s LEU 201 Cb 0.05 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.37 3dqh s LEU 201 CO -0.01 0.23 0.13 -0.44 0.23 0.00 0.00 176.35 176.48 3dqh s SER 202 N 0.04 5.83 -0.05 2.29 0.01 0.50 -0.72 113.70 121.60 3dqh s SER 202 Ca 0.03 0.04 0.03 0.00 1.31 0.00 0.00 55.95 57.35 3dqh s SER 202 Cb -0.13 -2.04 -0.03 0.00 0.21 0.00 0.00 66.02 64.03 3dqh s SER 202 CO 0.02 0.06 -0.11 -0.31 0.41 0.00 0.00 173.24 173.31 3dqh s TYR 203 N 1.08 2.79 -0.05 2.43 1.51 -0.06 -1.72 117.35 123.34 3dqh s TYR 203 Ca 0.06 -0.09 0.04 0.00 -1.01 0.00 0.00 57.07 56.07 3dqh s TYR 203 Cb -0.14 -1.65 -0.00 0.00 -0.11 0.00 0.00 41.96 40.07 3dqh s TYR 203 CO 0.04 0.26 -0.17 -0.65 -1.11 0.00 0.00 175.55 173.92 3dqh s GLN 204 N -0.87 1.83 -0.01 -0.62 1.11 -0.54 -2.27 119.66 118.29 3dqh s GLN 204 Ca 0.13 -0.59 0.01 0.00 0.01 0.00 0.00 55.36 54.91 3dqh s GLN 204 Cb -0.11 -1.56 0.01 0.00 -1.01 0.00 0.00 33.01 30.34 3dqh s GLN 204 CO 0.02 0.21 -0.01 -1.12 0.01 0.00 0.00 175.29 174.39 3dqh s SER 205 N 0.14 0.26 -0.07 5.90 0.01 -1.26 -1.18 113.70 117.49 3dqh s SER 205 Ca -0.06 -0.03 0.02 0.00 1.31 0.00 0.00 55.95 57.19 3dqh s SER 205 Cb -0.12 -0.07 0.01 0.00 0.21 0.00 0.00 66.02 66.05 3dqh s SER 205 CO 0.03 -0.02 -0.13 0.00 0.41 0.00 0.00 173.24 173.53 3dqh s ALA 206 N 0.28 1.35 -0.05 1.44 0.00 0.15 -4.61 121.76 120.31 3dqh s ALA 206 Ca -0.02 -0.48 0.01 0.00 0.00 0.00 0.00 51.96 51.46 3dqh s ALA 206 Cb -0.05 -0.63 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 3dqh s ALA 206 CO -0.01 0.07 -0.04 -0.51 0.00 0.00 0.00 175.76 175.27 3dqh s LEU 207 N 0.75 3.31 0.00 0.00 1.43 -1.26 -1.28 118.68 121.63 3dqh s LEU 207 Ca -0.13 0.00 -0.00 0.00 -1.03 0.00 0.00 54.13 52.97 3dqh s LEU 207 Cb -0.16 -1.79 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3dqh s LEU 207 CO 0.03 0.34 0.27 -1.54 0.23 0.00 0.00 176.35 175.68 3dqh n SER 208 N 1.98 -0.76 -4.21 2.29 3.41 -0.03 -4.93 113.62 111.36 3dqh n SER 208 Ca -0.17 -2.14 -0.20 0.00 -0.26 0.00 0.00 58.87 56.10 3dqh n SER 208 Cb 0.53 1.44 -0.12 0.00 -0.26 0.00 0.00 64.21 65.80 3dqh n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dqh s LYS 209 N -2.51 0.92 -0.35 4.33 -0.14 -1.26 -1.33 119.74 119.41 3dqh s LYS 209 Ca 0.18 -1.03 -0.20 0.00 -1.36 0.00 0.00 55.97 53.56 3dqh s LYS 209 Cb -0.00 -1.00 0.00 0.00 -1.68 0.00 0.00 37.83 35.15 3dqh s LYS 209 CO 0.13 0.22 0.63 0.34 -0.76 0.00 0.00 175.35 175.91 3dqh s ASP 210 N -1.83 6.43 0.42 2.83 -1.08 -1.26 -4.93 116.67 117.25 3dqh s ASP 210 Ca 0.01 0.19 0.30 0.00 -0.52 0.00 0.00 52.55 52.53 3dqh s ASP 210 Cb -0.10 -2.32 1.34 0.00 -1.46 0.00 0.00 42.92 40.38 3dqh s ASP 210 CO 0.03 -0.57 1.89 1.55 0.52 0.00 0.00 175.17 178.59 3dqh h PRO 211 N 8.41 0.00 -0.56 4.34 0.13 -2.04 -1.61 132.00 140.67 3dqh h PRO 211 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 3dqh h PRO 211 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3dqh h PRO 211 CO 0.83 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.69 3dqh n ASN 212 N -2.65 3.13 -4.35 1.44 3.02 -1.26 -4.91 115.26 109.68 3dqh n ASN 212 Ca 0.00 -2.17 -0.34 0.00 -0.03 0.00 0.00 54.58 52.04 3dqh n ASN 212 Cb 0.21 -0.42 -0.14 0.00 -0.61 0.00 0.00 39.78 38.82 3dqh n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dqh s GLU 213 N -1.57 3.43 0.06 3.52 2.56 -0.61 -4.95 118.70 121.14 3dqh s GLU 213 Ca 0.35 -0.62 0.23 0.00 0.00 0.00 0.00 54.97 54.92 3dqh s GLU 213 Cb 0.21 -2.90 0.04 0.00 2.00 0.00 0.00 34.13 33.48 3dqh s GLU 213 CO 0.20 -0.03 1.02 1.63 -0.56 0.00 0.00 175.26 177.52 3dqh n LYS 214 N 4.28 0.33 -2.06 4.30 4.76 -1.26 -4.89 118.16 123.62 3dqh n LYS 214 Ca -0.18 0.00 -0.27 0.00 -2.87 0.00 0.00 58.31 54.99 3dqh n LYS 214 Cb 0.52 -1.61 0.08 0.00 -1.84 0.00 0.00 35.03 32.17 3dqh n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dqh s ARG 215 N -3.22 2.06 -0.04 1.97 0.52 -1.26 -5.01 118.95 113.97 3dqh s ARG 215 Ca 0.03 -0.09 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 3dqh s ARG 215 Cb 0.14 -2.06 -0.03 0.00 0.52 0.00 0.00 34.95 33.52 3dqh s ARG 215 CO 0.80 -1.43 1.06 0.34 0.02 0.00 0.00 175.30 176.10 3dqh s ASP 216 N -4.55 7.23 0.21 0.23 2.15 -1.26 -4.96 116.67 115.71 3dqh s ASP 216 Ca 0.61 1.70 -0.23 0.00 0.43 0.00 0.00 52.55 55.06 3dqh s ASP 216 Cb -0.11 -2.56 0.04 0.00 -0.30 0.00 0.00 42.92 39.99 3dqh s ASP 216 CO 0.47 -0.42 0.82 -1.38 -0.17 0.00 0.00 175.17 174.49 3dqh s HIS 217 N 1.59 -0.19 -0.06 -5.34 -3.43 -1.26 -0.95 115.29 105.65 3dqh s HIS 217 Ca 0.52 -0.18 -0.03 0.00 -0.80 0.00 0.00 55.06 54.57 3dqh s HIS 217 Cb -0.22 0.67 0.04 0.00 -1.43 0.00 0.00 32.58 31.63 3dqh s HIS 217 CO 0.24 -1.03 0.14 1.41 -2.00 0.00 0.00 174.74 173.50 3dqh s MET 218 N -3.63 0.09 -0.19 -0.38 1.75 -0.13 -4.97 119.30 111.85 3dqh s MET 218 Ca 0.11 0.35 -0.09 0.00 -1.25 0.00 0.00 55.69 54.81 3dqh s MET 218 Cb -0.04 -0.16 -0.05 0.00 2.84 0.00 0.00 34.83 37.42 3dqh s MET 218 CO 0.03 -0.16 0.11 0.08 -0.65 0.00 0.00 175.02 174.44 3dqh s VAL 219 N 1.09 5.25 -0.09 10.11 1.01 -0.44 -0.18 120.40 137.16 3dqh s VAL 219 Ca -0.08 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.05 3dqh s VAL 219 Cb -0.11 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 32.90 3dqh s VAL 219 CO -0.05 0.46 -0.17 -0.22 0.00 0.00 0.00 175.10 175.11 3dqh s LEU 220 N 0.24 1.84 -0.15 3.92 2.96 0.29 -0.85 118.68 126.93 3dqh s LEU 220 Ca 0.07 -0.43 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 3dqh s LEU 220 Cb -0.11 -1.11 0.01 0.00 0.50 0.00 0.00 46.19 45.48 3dqh s LEU 220 CO -0.01 0.08 -0.22 -0.22 -1.32 0.00 0.00 176.35 174.66 3dqh s LEU 221 N 0.60 2.11 -0.00 -0.68 2.96 -0.40 -0.96 118.68 122.30 3dqh s LEU 221 Ca -0.15 -0.61 0.02 0.00 -0.22 0.00 0.00 54.13 53.18 3dqh s LEU 221 Cb -0.16 -1.45 -0.01 0.00 0.50 0.00 0.00 46.19 45.07 3dqh s LEU 221 CO 0.05 0.07 -0.07 -1.61 -1.32 0.00 0.00 176.35 173.46 3dqh s GLU 222 N 0.88 0.60 -0.03 1.98 2.02 -0.52 -0.67 118.70 122.96 3dqh s GLU 222 Ca -0.05 -0.28 0.06 0.00 0.02 0.00 0.00 54.97 54.72 3dqh s GLU 222 Cb -0.15 -0.57 -0.01 0.00 0.10 0.00 0.00 34.13 33.49 3dqh s GLU 222 CO -0.03 0.16 -0.21 -0.06 0.02 0.00 0.00 175.26 175.13 3dqh s PHE 223 N -0.20 1.95 -0.04 1.61 0.08 -0.33 -0.96 117.98 120.10 3dqh s PHE 223 Ca 0.03 -0.45 -0.02 0.00 0.12 0.00 0.00 56.93 56.61 3dqh s PHE 223 Cb -0.03 -1.27 0.03 0.00 -0.57 0.00 0.00 43.02 41.18 3dqh s PHE 223 CO -0.00 -0.09 0.06 0.08 -0.10 0.00 0.00 175.22 175.16 3dqh s VAL 224 N -0.33 -0.09 -0.07 -0.44 1.01 -0.03 -1.47 120.40 118.97 3dqh s VAL 224 Ca 0.04 0.42 0.03 0.00 0.00 0.00 0.00 61.98 62.46 3dqh s VAL 224 Cb -0.10 -0.16 0.01 0.00 0.00 0.00 0.00 36.38 36.13 3dqh s VAL 224 CO 0.01 0.18 -0.14 -0.89 0.00 0.00 0.00 175.10 174.25 3dqh s THR 225 N 2.14 1.28 0.42 3.92 2.01 -0.70 -0.48 115.64 124.23 3dqh s THR 225 Ca 0.05 -0.57 -0.23 0.00 0.31 0.00 0.00 61.69 61.25 3dqh s THR 225 Cb -0.12 -1.15 -0.10 0.00 0.01 0.00 0.00 72.50 71.15 3dqh s THR 225 CO -0.03 0.39 1.00 0.00 -0.69 0.00 0.00 174.62 175.29 3dqh s ALA 226 N 0.54 3.04 0.33 7.40 0.00 0.13 -0.37 121.76 132.83 3dqh s ALA 226 Ca -0.14 0.57 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 3dqh s ALA 226 Cb -0.15 -3.22 0.03 0.00 0.00 0.00 0.00 23.12 19.77 3dqh s ALA 226 CO 0.04 -0.09 0.64 0.00 0.00 0.00 0.00 175.76 176.36 3dqh s ALA 227 N -1.87 -0.34 0.00 0.00 0.00 0.21 -4.50 121.76 115.26 3dqh s ALA 227 Ca 0.60 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3dqh s ALA 227 Cb -0.17 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.85 3dqh s ALA 227 CO 0.21 -0.92 0.00 0.41 0.00 0.00 0.00 175.76 175.46 3dqh n GLY 228 N -0.50 1.01 2.95 0.00 0.00 -1.26 -1.46 105.19 105.92 3dqh n GLY 228 Ca -0.04 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.67 3dqh n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dqh s ILE 229 N -2.00 1.73 -2.00 -0.61 1.01 -1.26 -4.78 121.20 113.29 3dqh s ILE 229 Ca 0.00 -1.62 0.16 0.00 0.00 0.00 0.00 60.65 59.19 3dqh s ILE 229 Cb 0.00 -2.09 0.46 0.00 0.01 0.00 0.00 42.46 40.84 3dqh s ILE 229 CO 0.00 -0.31 1.37 0.35 0.00 0.00 0.00 174.94 176.35