#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dq8 h PRO -1 N 0.00 0.09 0.56 -0.67 0.11 -2.07 -1.17 132.00 128.86 3dq8 h PRO -1 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3dq8 h PRO -1 Cb 0.00 -0.02 0.01 0.00 0.11 0.00 0.00 31.00 31.10 3dq8 h PRO -1 CO 0.00 0.06 -0.27 1.98 -0.21 0.00 0.00 178.00 179.56 3dq8 h MET 0 N 0.09 -0.73 -1.00 1.05 1.85 -2.03 -3.04 114.93 111.12 3dq8 h MET 0 Ca 0.33 0.05 0.22 0.00 -0.61 0.00 0.00 59.70 59.69 3dq8 h MET 0 Cb 1.16 0.17 -0.11 0.00 0.43 0.00 0.00 31.60 33.25 3dq8 h MET 0 CO -0.03 -0.42 0.62 0.28 -0.40 0.00 0.00 176.91 176.95 3dq8 h VAL 1 N -0.96 0.62 -0.64 -5.77 2.07 -1.65 -1.61 116.25 108.32 3dq8 h VAL 1 Ca -0.08 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.27 3dq8 h VAL 1 Cb 0.64 -0.06 -0.05 0.00 -1.52 0.00 0.00 31.29 30.30 3dq8 h VAL 1 CO 0.13 0.11 0.37 -1.28 0.02 0.00 0.00 177.57 176.92 3dq8 h SER 2 N 0.63 0.57 0.00 0.57 0.87 -1.31 -3.24 113.55 111.64 3dq8 h SER 2 Ca 0.60 0.02 0.00 0.00 -1.23 0.00 0.00 61.79 61.18 3dq8 h SER 2 Cb 1.12 -0.10 0.00 0.00 -0.44 0.00 0.00 62.40 62.98 3dq8 h SER 2 CO -0.39 0.39 0.00 1.17 -0.53 0.00 0.00 176.83 177.47 3dq8 n LYS 3 N -4.76 0.00 -0.03 2.24 4.81 -0.61 -0.04 118.16 119.77 3dq8 n LYS 3 Ca 0.07 0.34 -0.00 0.00 -0.87 0.00 0.00 58.31 57.85 3dq8 n LYS 3 Cb 0.13 -1.16 0.28 0.00 0.02 0.00 0.00 35.03 34.31 3dq8 n LYS 3 CO 0.00 0.00 0.00 0.78 1.17 0.00 0.00 177.40 179.35 3dq8 h GLY 4 N 0.00 0.63 0.99 3.14 0.00 -1.77 -1.46 103.07 104.61 3dq8 h GLY 4 Ca 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 47.33 46.96 3dq8 h GLY 4 CO 0.00 0.34 -0.10 -2.09 0.00 0.00 0.00 176.54 174.69 3dq8 h GLU 5 N 0.57 -0.26 -0.54 4.80 4.22 -1.69 -3.04 114.58 118.65 3dq8 h GLU 5 Ca 0.13 0.02 0.16 0.00 0.08 0.00 0.00 59.36 59.74 3dq8 h GLU 5 Cb 0.30 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 3dq8 h GLU 5 CO 0.01 -0.17 0.52 0.93 -2.18 0.00 0.00 179.01 178.12 3dq8 h GLU 6 N -0.27 0.00 0.00 1.92 5.08 0.65 -1.07 114.58 120.89 3dq8 h GLU 6 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3dq8 h GLU 6 Cb 0.21 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 3dq8 h GLU 6 CO 0.04 0.00 -0.10 -0.07 -1.00 0.00 0.00 179.01 177.88 3dq8 h LEU 7 N 0.00 0.00 -2.93 1.33 3.38 -1.38 -3.34 115.31 112.37 3dq8 h LEU 7 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3dq8 h LEU 7 Cb 1.30 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.05 3dq8 h LEU 7 CO -0.00 0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.11 3dq8 n PHE 8 N -3.55 0.47 0.21 1.13 3.01 -0.40 -4.73 117.46 113.59 3dq8 n PHE 8 Ca -0.02 -0.54 0.10 0.00 1.01 0.00 0.00 57.45 58.01 3dq8 n PHE 8 Cb 0.23 -0.06 0.17 0.00 -0.01 0.00 0.00 39.48 39.80 3dq8 n PHE 8 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3dq8 h THR 9 N 1.81 0.17 -2.72 4.37 1.35 -1.68 -3.34 112.91 112.86 3dq8 h THR 9 Ca 0.00 -1.21 0.00 0.00 -0.55 0.00 0.00 66.41 64.65 3dq8 h THR 9 Cb 0.78 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.26 3dq8 h THR 9 CO 0.02 0.09 0.00 0.61 -0.25 0.00 0.00 175.52 176.00 3dq8 n GLY 10 N 1.07 6.21 3.72 5.82 0.00 -1.26 -4.73 105.19 116.01 3dq8 n GLY 10 Ca 0.03 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.65 3dq8 n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3dq8 s VAL 11 N 1.37 5.03 -0.17 1.61 1.01 -1.26 -4.41 120.40 123.57 3dq8 s VAL 11 Ca 0.00 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.46 3dq8 s VAL 11 Cb 0.00 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.35 3dq8 s VAL 11 CO 0.00 0.25 -0.20 -0.69 0.00 0.00 0.00 175.10 174.46 3dq8 s VAL 12 N 0.77 2.04 0.59 2.92 1.01 0.43 -4.95 120.40 123.21 3dq8 s VAL 12 Ca 0.38 -0.93 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 3dq8 s VAL 12 Cb -0.18 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3dq8 s VAL 12 CO 0.19 0.54 1.33 -2.16 0.00 0.00 0.00 175.10 174.99 3dq8 s PRO 13 N 1.24 2.90 0.05 2.72 0.04 -1.26 -0.56 135.00 140.13 3dq8 s PRO 13 Ca 0.04 2.15 0.05 0.00 0.04 0.00 0.00 61.00 63.28 3dq8 s PRO 13 Cb -0.13 -2.08 -0.02 0.00 0.04 0.00 0.00 34.50 32.31 3dq8 s PRO 13 CO -0.12 -1.35 -0.16 0.42 0.04 0.00 0.00 177.00 175.83 3dq8 s ILE 14 N -1.35 1.24 -0.04 0.56 1.01 0.15 -1.54 121.20 121.24 3dq8 s ILE 14 Ca 0.76 -1.09 0.04 0.00 0.00 0.00 0.00 60.65 60.36 3dq8 s ILE 14 Cb -0.39 -1.12 -0.00 0.00 0.01 0.00 0.00 42.46 40.96 3dq8 s ILE 14 CO 0.44 0.01 -0.14 -0.22 0.00 0.00 0.00 174.94 175.03 3dq8 s LEU 15 N -1.24 1.88 0.01 2.97 2.96 -0.24 -2.26 118.68 122.75 3dq8 s LEU 15 Ca 0.03 -0.29 0.05 0.00 -0.22 0.00 0.00 54.13 53.69 3dq8 s LEU 15 Cb -0.08 -0.82 -0.02 0.00 0.50 0.00 0.00 46.19 45.77 3dq8 s LEU 15 CO 0.02 0.13 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.32 3dq8 s VAL 16 N 0.07 1.25 -0.05 1.68 1.01 0.53 -1.13 120.40 123.77 3dq8 s VAL 16 Ca -0.03 -0.82 -0.02 0.00 0.00 0.00 0.00 61.98 61.12 3dq8 s VAL 16 Cb -0.10 -1.07 0.04 0.00 0.00 0.00 0.00 36.38 35.24 3dq8 s VAL 16 CO 0.01 0.24 0.09 -1.61 0.00 0.00 0.00 175.10 173.84 3dq8 s GLU 17 N -0.66 0.02 -0.04 2.72 0.41 -0.85 0.42 118.70 120.71 3dq8 s GLU 17 Ca 0.05 0.32 0.03 0.00 -0.41 0.00 0.00 54.97 54.96 3dq8 s GLU 17 Cb -0.07 -0.25 0.00 0.00 -1.78 0.00 0.00 34.13 32.04 3dq8 s GLU 17 CO 0.00 -0.20 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.30 3dq8 s LEU 18 N 1.35 1.75 -0.25 1.80 0.20 0.49 -1.10 118.68 122.92 3dq8 s LEU 18 Ca -0.06 -0.23 -0.06 0.00 0.69 0.00 0.00 54.13 54.46 3dq8 s LEU 18 Cb -0.12 -0.67 -0.01 0.00 -0.43 0.00 0.00 46.19 44.96 3dq8 s LEU 18 CO -0.04 0.07 0.04 -1.81 -0.29 0.00 0.00 176.35 174.31 3dq8 s ASP 19 N 0.29 4.86 -0.06 3.68 1.01 -0.62 -1.52 116.67 124.32 3dq8 s ASP 19 Ca -0.06 -0.39 0.05 0.00 0.71 0.00 0.00 52.55 52.86 3dq8 s ASP 19 Cb -0.11 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 41.95 3dq8 s ASP 19 CO 0.01 -0.07 -0.20 -0.83 0.21 0.00 0.00 175.17 174.29 3dq8 s GLY 20 N 1.54 1.40 -0.20 0.21 0.00 0.10 -0.74 107.32 109.63 3dq8 s GLY 20 Ca 0.05 -1.02 -0.04 0.00 0.00 0.00 0.00 44.72 43.71 3dq8 s GLY 20 CO 0.01 -0.67 0.09 -0.35 0.00 0.00 0.00 173.10 172.18 3dq8 s ASP 21 N -0.34 2.77 -0.24 1.64 -1.08 -0.50 0.41 116.67 119.33 3dq8 s ASP 21 Ca 0.02 -0.83 -0.01 0.00 -0.52 0.00 0.00 52.55 51.21 3dq8 s ASP 21 Cb -0.12 -0.37 0.02 0.00 -1.46 0.00 0.00 42.92 40.99 3dq8 s ASP 21 CO 0.02 -0.36 -0.08 -0.69 0.52 0.00 0.00 175.17 174.58 3dq8 s VAL 22 N 2.05 2.77 -1.57 1.11 1.01 -0.29 -0.60 120.40 124.88 3dq8 s VAL 22 Ca 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 3dq8 s VAL 22 Cb -0.16 -2.37 0.08 0.00 0.00 0.00 0.00 36.38 33.92 3dq8 s VAL 22 CO -0.15 0.26 0.53 0.59 0.00 0.00 0.00 175.10 176.33 3dq8 n ASN 23 N 4.66 -1.47 0.00 3.32 4.13 -0.14 -0.68 115.26 125.08 3dq8 n ASN 23 Ca -0.17 -1.05 0.00 0.00 1.68 0.00 0.00 54.58 55.04 3dq8 n ASN 23 Cb 0.48 -2.70 0.00 0.00 -1.54 0.00 0.00 39.78 36.01 3dq8 n ASN 23 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3dq8 n GLY 24 N -1.78 0.38 3.53 7.41 0.00 -1.26 -4.95 105.19 108.51 3dq8 n GLY 24 Ca -0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.46 3dq8 n GLY 24 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3dq8 s HIS 25 N -2.04 2.67 0.38 1.61 3.76 0.14 -5.05 115.29 116.78 3dq8 s HIS 25 Ca 0.00 -0.00 -0.21 0.00 -0.15 0.00 0.00 55.06 54.70 3dq8 s HIS 25 Cb 0.00 -4.27 -0.10 0.00 1.11 0.00 0.00 32.58 29.32 3dq8 s HIS 25 CO 0.00 -1.53 0.91 0.15 -0.85 0.00 0.00 174.74 173.41 3dq8 s LYS 26 N 4.40 4.26 0.09 1.40 1.02 -1.26 -1.14 119.74 128.50 3dq8 s LYS 26 Ca 0.32 1.08 -0.26 0.00 0.02 0.00 0.00 55.97 57.13 3dq8 s LYS 26 Cb -0.12 -2.36 0.08 0.00 -0.52 0.00 0.00 37.83 34.91 3dq8 s LYS 26 CO 0.19 0.07 0.79 -0.59 -0.92 0.00 0.00 175.35 174.90 3dq8 s PHE 27 N -2.02 -0.37 0.01 3.18 -0.71 0.16 -4.89 117.98 113.35 3dq8 s PHE 27 Ca 0.58 0.17 0.03 0.00 -1.04 0.00 0.00 56.93 56.67 3dq8 s PHE 27 Cb -0.11 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.25 3dq8 s PHE 27 CO 0.16 -0.72 -0.10 -1.12 -1.34 0.00 0.00 175.22 172.10 3dq8 s SER 28 N -2.65 1.15 -0.03 1.98 0.01 -1.26 0.00 113.70 112.90 3dq8 s SER 28 Ca 0.05 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.06 3dq8 s SER 28 Cb -0.01 -0.09 -0.00 0.00 0.21 0.00 0.00 66.02 66.12 3dq8 s SER 28 CO -0.08 0.05 -0.13 -0.69 0.41 0.00 0.00 173.24 172.80 3dq8 s VAL 29 N -0.52 1.04 -0.08 3.43 1.01 -0.57 -2.20 120.40 122.50 3dq8 s VAL 29 Ca 0.01 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.46 3dq8 s VAL 29 Cb -0.05 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.39 3dq8 s VAL 29 CO 0.00 0.31 -0.03 -0.44 0.00 0.00 0.00 175.10 174.94 3dq8 s SER 30 N 0.01 4.97 0.10 3.32 0.01 -0.51 -0.38 113.70 121.22 3dq8 s SER 30 Ca -0.01 0.06 0.05 0.00 1.31 0.00 0.00 55.95 57.37 3dq8 s SER 30 Cb -0.08 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.76 3dq8 s SER 30 CO 0.01 0.36 -0.13 -0.83 0.41 0.00 0.00 173.24 173.06 3dq8 s GLY 31 N -0.80 0.97 0.01 3.44 0.00 0.17 -0.31 107.32 110.79 3dq8 s GLY 31 Ca 0.12 -1.18 -0.01 0.00 0.00 0.00 0.00 44.72 43.65 3dq8 s GLY 31 CO 0.02 -1.23 0.00 -0.54 0.00 0.00 0.00 173.10 171.35 3dq8 s GLU 32 N -2.39 0.23 0.00 2.90 2.02 -0.68 -0.34 118.70 120.44 3dq8 s GLU 32 Ca 0.05 -0.39 0.00 0.00 0.02 0.00 0.00 54.97 54.65 3dq8 s GLU 32 Cb -0.06 0.09 0.00 0.00 0.10 0.00 0.00 34.13 34.25 3dq8 s GLU 32 CO 0.02 -0.04 0.00 0.41 0.02 0.00 0.00 175.26 175.67 3dq8 n GLY 33 N 2.05 -0.62 3.35 -1.39 0.00 -0.96 -0.98 105.19 106.64 3dq8 n GLY 33 Ca -0.20 -0.60 -0.14 0.00 0.00 0.00 0.00 46.02 45.07 3dq8 n GLY 33 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3dq8 s GLU 34 N -0.67 0.72 -0.01 1.61 -1.05 -0.23 -0.67 118.70 118.41 3dq8 s GLU 34 Ca 0.00 0.20 0.07 0.00 -0.15 0.00 0.00 54.97 55.09 3dq8 s GLU 34 Cb 0.00 0.34 -0.03 0.00 -0.44 0.00 0.00 34.13 34.00 3dq8 s GLU 34 CO 0.00 -0.18 -0.21 0.20 0.95 0.00 0.00 175.26 176.02 3dq8 s GLY 35 N -0.77 1.42 -0.49 -3.83 0.00 0.28 -1.89 107.32 102.04 3dq8 s GLY 35 Ca -0.08 -1.11 0.03 0.00 0.00 0.00 0.00 44.72 43.55 3dq8 s GLY 35 CO 0.04 -0.94 0.28 -0.35 0.00 0.00 0.00 173.10 172.13 3dq8 s ASP 36 N -0.89 3.77 0.57 1.64 -1.08 0.57 -0.43 116.67 120.82 3dq8 s ASP 36 Ca 0.12 -2.90 0.32 0.00 -0.52 0.00 0.00 52.55 49.57 3dq8 s ASP 36 Cb -0.10 -1.19 1.72 0.00 -1.46 0.00 0.00 42.92 41.89 3dq8 s ASP 36 CO 0.01 -0.23 2.17 0.00 0.52 0.00 0.00 175.17 177.64 3dq8 h ALA 37 N 6.43 1.27 -0.96 3.66 0.00 -1.76 -1.76 119.26 126.14 3dq8 h ALA 37 Ca 0.02 -0.05 0.24 0.00 0.00 0.00 0.00 54.91 55.11 3dq8 h ALA 37 Cb 0.90 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 3dq8 h ALA 37 CO 0.55 0.07 0.64 1.15 0.00 0.00 0.00 179.25 181.66 3dq8 h THR 38 N 0.00 0.60 -0.05 0.00 2.02 -1.85 -1.58 112.91 112.04 3dq8 h THR 38 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 3dq8 h THR 38 Cb 0.20 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3dq8 h THR 38 CO 0.01 0.06 0.00 -1.22 0.37 0.00 0.00 175.52 174.73 3dq8 n TYR 39 N -4.48 0.06 -2.46 3.16 4.01 -0.91 -4.93 117.16 111.61 3dq8 n TYR 39 Ca 0.21 -0.06 -0.12 0.00 -0.16 0.00 0.00 57.90 57.77 3dq8 n TYR 39 Cb 0.83 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.86 3dq8 n TYR 39 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3dq8 n GLY 40 N 0.61 -0.06 3.28 2.72 0.00 -0.59 -4.70 105.19 106.44 3dq8 n GLY 40 Ca 0.07 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 3dq8 n GLY 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq8 s LYS 41 N -4.89 3.01 0.02 1.61 2.20 -0.76 -0.08 119.74 120.85 3dq8 s LYS 41 Ca 0.09 -0.83 0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3dq8 s LYS 41 Cb -0.04 -2.36 -0.02 0.00 -1.51 0.00 0.00 37.83 33.91 3dq8 s LYS 41 CO 0.11 0.25 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.72 3dq8 s LEU 42 N 0.20 2.12 -0.06 5.43 1.02 -0.37 -0.32 118.68 126.70 3dq8 s LEU 42 Ca -0.13 -0.35 -0.01 0.00 0.02 0.00 0.00 54.13 53.66 3dq8 s LEU 42 Cb -0.16 -0.49 0.03 0.00 0.02 0.00 0.00 46.19 45.59 3dq8 s LEU 42 CO 0.07 0.03 0.02 -0.89 0.02 0.00 0.00 176.35 175.60 3dq8 s THR 43 N -0.66 0.22 -0.00 5.49 2.01 -0.79 -1.83 115.64 120.07 3dq8 s THR 43 Ca 0.01 0.21 -0.05 0.00 0.31 0.00 0.00 61.69 62.17 3dq8 s THR 43 Cb -0.06 -0.41 -0.00 0.00 0.01 0.00 0.00 72.50 72.04 3dq8 s THR 43 CO 0.00 0.23 0.10 -0.76 -0.69 0.00 0.00 174.62 173.50 3dq8 s LEU 44 N 2.00 1.71 -0.07 4.42 1.43 -0.38 -1.06 118.68 126.72 3dq8 s LEU 44 Ca 0.04 -0.21 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3dq8 s LEU 44 Cb -0.12 0.51 0.00 0.00 0.03 0.00 0.00 46.19 46.61 3dq8 s LEU 44 CO -0.04 -0.31 -0.18 -0.75 0.23 0.00 0.00 176.35 175.30 3dq8 s LYS 45 N -1.19 2.29 -0.00 1.70 2.20 -0.15 -0.68 119.74 123.91 3dq8 s LYS 45 Ca -0.13 -0.65 0.03 0.00 -0.36 0.00 0.00 55.97 54.85 3dq8 s LYS 45 Cb -0.07 -1.82 -0.03 0.00 -1.51 0.00 0.00 37.83 34.40 3dq8 s LYS 45 CO 0.01 0.14 -0.05 -0.06 -0.36 0.00 0.00 175.35 175.03 3dq8 s PHE 46 N 0.40 2.95 -0.10 4.03 0.08 0.52 -1.69 117.98 124.17 3dq8 s PHE 46 Ca -0.14 0.00 0.01 0.00 0.12 0.00 0.00 56.93 56.92 3dq8 s PHE 46 Cb -0.16 -1.63 0.02 0.00 -0.57 0.00 0.00 43.02 40.68 3dq8 s PHE 46 CO 0.06 0.40 -0.10 0.42 -0.10 0.00 0.00 175.22 175.89 3dq8 s ILE 47 N -1.02 1.13 -0.19 0.64 1.01 0.57 -1.36 121.20 121.99 3dq8 s ILE 47 Ca 0.18 -0.40 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 3dq8 s ILE 47 Cb -0.11 -1.09 -0.02 0.00 0.01 0.00 0.00 42.46 41.25 3dq8 s ILE 47 CO 0.08 0.37 1.37 0.00 0.00 0.00 0.00 174.94 176.76 3dq8 n THR 49 N 5.73 0.27 -0.15 0.00 -2.24 -0.94 -3.88 114.28 113.07 3dq8 n THR 49 Ca 0.15 -0.61 0.04 0.00 -2.27 0.00 0.00 64.05 61.36 3dq8 n THR 49 Cb 0.45 1.13 0.10 0.00 -2.10 0.00 0.00 70.33 69.91 3dq8 n THR 49 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3dq8 n THR 50 N 1.32 1.05 0.00 4.28 -2.24 -1.26 -4.99 114.28 112.44 3dq8 n THR 50 Ca 0.17 -1.05 0.00 0.00 -2.27 0.00 0.00 64.05 60.90 3dq8 n THR 50 Cb 0.58 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.27 3dq8 n THR 50 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dq8 n GLY 51 N 0.08 0.73 3.77 3.38 0.00 -1.25 -4.99 105.19 106.91 3dq8 n GLY 51 Ca 0.08 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.50 3dq8 n GLY 51 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3dq8 s LYS 52 N 0.00 4.41 -0.12 1.61 2.20 -1.26 -4.43 119.74 122.15 3dq8 s LYS 52 Ca 0.00 0.93 -0.30 0.00 -0.36 0.00 0.00 55.97 56.25 3dq8 s LYS 52 Cb 0.00 -3.32 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3dq8 s LYS 52 CO 0.00 0.42 1.18 -1.17 -0.36 0.00 0.00 175.35 175.42 3dq8 s LEU 53 N -0.47 4.22 0.00 5.43 2.96 -1.26 -4.91 118.68 124.65 3dq8 s LEU 53 Ca 0.34 1.68 0.30 0.00 -0.22 0.00 0.00 54.13 56.23 3dq8 s LEU 53 Cb -0.20 -3.55 1.72 0.00 0.50 0.00 0.00 46.19 44.66 3dq8 s LEU 53 CO 0.21 -0.64 2.10 -0.81 -1.32 0.00 0.00 176.35 175.90 3dq8 n PRO 54 N 5.78 0.81 -4.51 0.98 -0.04 -1.26 -4.79 135.00 131.96 3dq8 n PRO 54 Ca 0.12 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.33 3dq8 n PRO 54 Cb 0.46 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.32 3dq8 n PRO 54 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3dq8 s VAL 55 N -2.15 2.07 0.16 0.52 -7.23 -1.26 -4.57 120.40 107.94 3dq8 s VAL 55 Ca 0.41 -2.18 -0.31 0.00 -1.81 0.00 0.00 61.98 58.08 3dq8 s VAL 55 Cb 0.20 -2.59 -0.09 0.00 0.56 0.00 0.00 36.38 34.46 3dq8 s VAL 55 CO 0.37 -0.23 1.51 -2.84 -0.31 0.00 0.00 175.10 173.60 3dq8 s PRO 56 N -3.64 4.25 0.31 4.82 0.02 -1.26 -4.94 135.00 134.56 3dq8 s PRO 56 Ca 0.32 2.27 0.03 0.00 0.02 0.00 0.00 61.00 63.64 3dq8 s PRO 56 Cb 0.03 -3.18 0.79 0.00 0.02 0.00 0.00 34.50 32.16 3dq8 s PRO 56 CO 0.15 -0.54 1.59 -1.49 -0.33 0.00 0.00 177.00 176.38 3dq8 h TRP 57 N 6.69 0.11 -0.17 6.54 4.06 -1.95 -0.21 115.95 131.02 3dq8 h TRP 57 Ca -0.43 0.06 0.05 0.00 2.06 0.00 0.00 58.89 60.64 3dq8 h TRP 57 Cb 1.21 0.11 -0.01 0.00 -1.00 0.00 0.00 29.16 29.47 3dq8 h TRP 57 CO 0.65 -0.39 0.12 -1.35 -3.56 0.00 0.00 178.44 173.91 3dq8 h PRO 58 N 0.05 0.00 0.00 0.49 0.11 -1.90 -1.39 132.00 129.36 3dq8 h PRO 58 Ca 0.61 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.72 3dq8 h PRO 58 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3dq8 h PRO 58 CO -0.85 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 178.73 3dq8 h THR 59 N 0.00 0.00 -0.01 -1.15 1.35 -1.40 -2.74 112.91 108.96 3dq8 h THR 59 Ca 0.08 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.64 3dq8 h THR 59 Cb 0.32 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 3dq8 h THR 59 CO -0.00 0.00 -0.38 0.18 -0.25 0.00 0.00 175.52 175.07 3dq8 n LEU 60 N -2.79 1.33 -0.06 3.87 4.77 -0.52 -4.66 117.00 118.94 3dq8 n LEU 60 Ca 0.00 -0.42 -0.12 0.00 -0.03 0.00 0.00 56.01 55.44 3dq8 n LEU 60 Cb 0.22 -0.08 -0.06 0.00 -2.33 0.00 0.00 43.42 41.17 3dq8 n LEU 60 CO 0.22 0.25 0.72 0.58 -1.33 0.00 0.00 177.39 177.84 3dq8 h VAL 61 N 1.49 1.27 -0.70 4.08 2.07 -1.53 0.25 116.25 123.18 3dq8 h VAL 61 Ca 0.00 -0.93 0.01 0.00 0.82 0.00 0.00 66.70 66.60 3dq8 h VAL 61 Cb 0.59 1.55 -0.04 0.00 -1.52 0.00 0.00 31.29 31.87 3dq8 h VAL 61 CO 0.00 0.28 0.45 0.71 0.02 0.00 0.00 177.57 179.03 3dq8 h THR 62 N 0.03 1.15 0.18 2.57 1.35 -1.83 -2.73 112.91 113.65 3dq8 h THR 62 Ca 0.04 -0.31 -0.01 0.00 -0.55 0.00 0.00 66.41 65.58 3dq8 h THR 62 Cb 0.43 0.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.01 3dq8 h THR 62 CO 0.01 0.17 -0.09 0.74 -0.25 0.00 0.00 175.52 176.10 3dq8 h THR 63 N 0.91 0.89 0.00 6.82 2.02 -1.75 -3.44 112.91 118.36 3dq8 h THR 63 Ca 0.26 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 67.11 3dq8 h THR 63 Cb -0.07 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 3dq8 h THR 63 CO -0.07 0.08 0.43 0.49 0.37 0.00 0.00 175.52 176.82 3dq8 n PHE 64 N -5.12 0.00 0.00 3.16 3.72 0.03 -5.06 117.46 114.19 3dq8 n PHE 64 Ca -0.09 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.31 3dq8 n PHE 64 Cb 0.18 -0.38 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 3dq8 n PHE 64 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3dq8 n LEU 68 N 2.84 0.00 0.15 4.37 4.77 -1.26 -5.04 117.00 122.83 3dq8 n LEU 68 Ca 0.00 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.10 3dq8 n LEU 68 Cb 0.00 0.00 0.54 0.00 -2.33 0.00 0.00 43.42 41.63 3dq8 n LEU 68 CO 0.22 0.00 0.86 0.24 -1.33 0.00 0.00 177.39 177.38 3dq8 h MET 69 N 0.00 0.00 0.00 3.23 2.86 -1.99 -1.79 114.93 117.24 3dq8 h MET 69 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3dq8 h MET 69 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3dq8 h MET 69 CO 0.00 0.00 0.00 0.00 1.06 0.00 0.00 176.91 177.97 3dq8 n PHE 71 N -2.80 0.41 -1.84 0.00 3.72 -0.67 -4.71 117.46 111.57 3dq8 n PHE 71 Ca -0.02 -0.21 -0.39 0.00 -0.05 0.00 0.00 57.45 56.78 3dq8 n PHE 71 Cb 0.07 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.64 3dq8 n PHE 71 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3dq8 s ALA 72 N -1.59 3.00 -0.55 4.37 0.00 -0.76 -3.90 121.76 122.33 3dq8 s ALA 72 Ca 0.28 1.34 -0.24 0.00 0.00 0.00 0.00 51.96 53.34 3dq8 s ALA 72 Cb 0.15 -3.56 0.04 0.00 0.00 0.00 0.00 23.12 19.76 3dq8 s ALA 72 CO 0.21 -1.23 0.93 0.50 0.00 0.00 0.00 175.76 176.17 3dq8 s ARG 73 N -2.70 3.32 -0.28 0.00 3.52 0.02 -4.73 118.95 118.09 3dq8 s ARG 73 Ca 0.67 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.72 3dq8 s ARG 73 Cb -0.40 -4.06 -0.00 0.00 -1.56 0.00 0.00 34.95 28.92 3dq8 s ARG 73 CO 0.50 -1.49 0.83 0.71 -0.81 0.00 0.00 175.30 175.04 3dq8 s TYR 74 N 3.90 3.24 0.61 5.12 1.51 -1.26 -1.32 117.35 129.15 3dq8 s TYR 74 Ca 0.30 0.97 -0.18 0.00 -1.01 0.00 0.00 57.07 57.15 3dq8 s TYR 74 Cb -0.13 -3.18 -0.08 0.00 -0.11 0.00 0.00 41.96 38.45 3dq8 s TYR 74 CO 0.19 -0.51 0.43 -2.30 -1.11 0.00 0.00 175.55 172.24 3dq8 n PRO 75 N 6.17 0.40 -0.26 -1.71 -0.02 -1.26 -4.70 135.00 133.61 3dq8 n PRO 75 Ca 0.05 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.77 3dq8 n PRO 75 Cb 0.48 -1.65 0.21 0.00 -0.02 0.00 0.00 33.50 32.52 3dq8 n PRO 75 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 3dq8 h ASP 76 N 0.04 0.01 0.15 2.55 3.58 -2.01 0.13 116.42 120.88 3dq8 h ASP 76 Ca -0.45 0.16 0.00 0.00 0.42 0.00 0.00 57.03 57.16 3dq8 h ASP 76 Cb 1.39 0.21 0.00 0.00 1.72 0.00 0.00 39.33 42.65 3dq8 h ASP 76 CO 0.45 -0.06 0.00 1.12 -2.88 0.00 0.00 179.24 177.87 3dq8 h HIS 77 N 0.26 0.00 -0.05 0.28 2.07 -1.97 -2.99 115.15 112.75 3dq8 h HIS 77 Ca 0.45 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.97 3dq8 h HIS 77 Cb 0.80 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.78 3dq8 h HIS 77 CO -0.26 0.00 0.00 -1.33 -3.07 0.00 0.00 177.93 173.27 3dq8 n MET 78 N -2.49 0.78 -0.14 5.12 2.81 0.43 -4.72 117.12 118.91 3dq8 n MET 78 Ca -0.01 -1.25 0.23 0.00 -1.81 0.00 0.00 57.70 54.87 3dq8 n MET 78 Cb 0.08 -1.21 0.65 0.00 -0.71 0.00 0.00 33.22 32.04 3dq8 n MET 78 CO 0.00 0.00 0.00 0.87 1.51 0.00 0.00 175.97 178.35 3dq8 h LYS 79 N 2.07 0.11 0.00 0.03 1.79 -1.34 0.28 116.57 119.51 3dq8 h LYS 79 Ca 0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 3dq8 h LYS 79 Cb 0.48 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.10 3dq8 h LYS 79 CO 0.00 0.07 0.00 1.04 -1.08 0.00 0.00 179.45 179.48 3dq8 n GLN 80 N -4.36 0.46 -0.24 3.15 6.02 -1.26 -3.06 117.38 118.09 3dq8 n GLN 80 Ca 0.16 0.05 0.06 0.00 -0.01 0.00 0.00 57.00 57.26 3dq8 n GLN 80 Cb 0.78 -1.50 0.17 0.00 1.02 0.00 0.00 30.24 30.72 3dq8 n GLN 80 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 3dq8 n HIS 81 N -1.12 0.54 -3.17 1.08 8.25 0.09 -4.62 115.22 116.27 3dq8 n HIS 81 Ca 0.12 -0.68 -0.45 0.00 -0.26 0.00 0.00 57.72 56.45 3dq8 n HIS 81 Cb 0.10 -0.14 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 3dq8 n HIS 81 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 3dq8 s ASP 82 N -1.50 6.92 0.18 0.41 -1.08 -1.17 -4.43 116.67 116.00 3dq8 s ASP 82 Ca 0.28 -2.80 -0.13 0.00 -0.52 0.00 0.00 52.55 49.38 3dq8 s ASP 82 Cb 0.20 -2.29 0.13 0.00 -1.46 0.00 0.00 42.92 39.50 3dq8 s ASP 82 CO 0.10 -0.65 1.79 0.15 0.52 0.00 0.00 175.17 177.09 3dq8 h PHE 83 N 7.67 0.50 -0.28 -5.34 3.57 -1.90 -3.01 116.94 118.14 3dq8 h PHE 83 Ca 0.17 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.74 3dq8 h PHE 83 Cb 0.97 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 3dq8 h PHE 83 CO 1.01 0.26 -0.00 0.74 -2.23 0.00 0.00 178.31 178.08 3dq8 h PHE 84 N 0.53 -0.02 -0.35 0.41 0.04 -1.89 -1.00 116.94 114.65 3dq8 h PHE 84 Ca 0.22 0.02 -0.16 0.00 2.80 0.00 0.00 57.97 60.85 3dq8 h PHE 84 Cb 0.10 0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3dq8 h PHE 84 CO -0.09 -0.05 -0.41 0.87 -0.60 0.00 0.00 178.31 178.03 3dq8 h LYS 85 N 0.08 0.88 -0.80 1.51 1.57 -1.84 -3.25 116.57 114.72 3dq8 h LYS 85 Ca 0.14 -0.48 0.03 0.00 -1.87 0.00 0.00 60.65 58.47 3dq8 h LYS 85 Cb 0.18 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3dq8 h LYS 85 CO -0.23 1.12 0.53 0.66 -0.57 0.00 0.00 179.45 180.96 3dq8 h SER 86 N 0.72 0.85 0.34 0.86 4.64 -1.07 -1.17 113.55 118.71 3dq8 h SER 86 Ca 0.05 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.36 3dq8 h SER 86 Cb 1.00 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 62.89 3dq8 h SER 86 CO 0.10 0.59 0.00 0.00 -0.87 0.00 0.00 176.83 176.65 3dq8 h ALA 87 N 1.53 1.00 -2.23 5.18 0.00 -1.34 -3.45 119.26 119.95 3dq8 h ALA 87 Ca 0.32 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.75 3dq8 h ALA 87 Cb 0.03 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.83 3dq8 h ALA 87 CO -0.09 0.00 0.28 -1.64 0.00 0.00 0.00 179.25 177.80 3dq8 s MET 88 N -3.47 3.90 0.08 0.00 1.00 -0.44 -0.80 119.30 119.57 3dq8 s MET 88 Ca 0.00 0.79 0.28 0.00 0.00 0.00 0.00 55.69 56.76 3dq8 s MET 88 Cb 0.08 -2.23 1.07 0.00 0.00 0.00 0.00 34.83 33.75 3dq8 s MET 88 CO 0.29 -0.18 1.87 -0.35 0.00 0.00 0.00 175.02 176.65 3dq8 n PRO 89 N -1.43 0.10 0.21 2.03 -0.05 -1.26 -4.56 135.00 130.04 3dq8 n PRO 89 Ca 0.05 0.09 0.05 0.00 -0.05 0.00 0.00 63.50 63.63 3dq8 n PRO 89 Cb 0.54 -1.62 0.48 0.00 -0.05 0.00 0.00 33.50 32.85 3dq8 n PRO 89 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3dq8 h GLU 90 N 0.00 0.02 0.00 0.54 3.07 -1.91 -2.85 114.58 113.44 3dq8 h GLU 90 Ca 0.00 -0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3dq8 h GLU 90 Cb 0.59 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.49 3dq8 h GLU 90 CO 0.00 0.22 0.00 0.41 -1.40 0.00 0.00 179.01 178.24 3dq8 n GLY 91 N -0.95 -2.61 3.18 -3.84 0.00 0.02 -4.65 105.19 96.35 3dq8 n GLY 91 Ca -0.02 -2.08 -0.11 0.00 0.00 0.00 0.00 46.02 43.81 3dq8 n GLY 91 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3dq8 s TYR 92 N -0.34 0.98 -0.21 1.61 -0.85 0.79 -0.90 117.35 118.42 3dq8 s TYR 92 Ca 0.00 -1.13 -0.10 0.00 -0.52 0.00 0.00 57.07 55.31 3dq8 s TYR 92 Cb 0.00 -0.56 -0.05 0.00 0.38 0.00 0.00 41.96 41.73 3dq8 s TYR 92 CO 0.00 -0.38 0.14 0.08 -1.52 0.00 0.00 175.55 173.87 3dq8 s VAL 93 N -3.88 5.39 -0.24 -3.49 1.01 0.13 -0.58 120.40 118.75 3dq8 s VAL 93 Ca 0.23 0.19 -0.00 0.00 0.00 0.00 0.00 61.98 62.39 3dq8 s VAL 93 Cb 0.07 -3.48 0.03 0.00 0.00 0.00 0.00 36.38 33.00 3dq8 s VAL 93 CO 0.02 0.41 -0.10 -1.58 0.00 0.00 0.00 175.10 173.85 3dq8 s GLN 94 N 0.57 2.74 -0.05 2.72 0.74 -0.17 -1.93 119.66 124.29 3dq8 s GLN 94 Ca 0.08 -1.02 0.05 0.00 0.05 0.00 0.00 55.36 54.51 3dq8 s GLN 94 Cb -0.12 -2.88 -0.02 0.00 1.10 0.00 0.00 33.01 31.09 3dq8 s GLN 94 CO -0.00 -0.40 -0.19 -1.21 -0.55 0.00 0.00 175.29 172.94 3dq8 s GLU 95 N 1.27 2.50 0.12 1.67 2.02 0.03 -1.10 118.70 125.22 3dq8 s GLU 95 Ca -0.01 -0.79 0.05 0.00 0.02 0.00 0.00 54.97 54.24 3dq8 s GLU 95 Cb -0.17 -2.28 -0.04 0.00 0.10 0.00 0.00 34.13 31.75 3dq8 s GLU 95 CO -0.06 0.52 -0.12 1.03 0.02 0.00 0.00 175.26 176.65 3dq8 s ARG 96 N -0.49 0.99 -0.08 1.61 1.81 -0.63 -1.44 118.95 120.74 3dq8 s ARG 96 Ca 0.06 -1.28 0.04 0.00 -1.72 0.00 0.00 55.73 52.82 3dq8 s ARG 96 Cb -0.12 -0.73 0.00 0.00 -0.45 0.00 0.00 34.95 33.65 3dq8 s ARG 96 CO 0.01 0.12 -0.19 0.99 -0.68 0.00 0.00 175.30 175.55 3dq8 s THR 97 N -2.56 1.67 -0.22 0.02 2.01 -0.49 -1.45 115.64 114.61 3dq8 s THR 97 Ca 0.10 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.31 3dq8 s THR 97 Cb -0.02 -1.45 0.05 0.00 0.01 0.00 0.00 72.50 71.08 3dq8 s THR 97 CO 0.02 0.47 -0.10 -0.63 -0.69 0.00 0.00 174.62 173.68 3dq8 s ILE 98 N 0.35 1.82 -0.45 1.82 1.01 0.38 -1.08 121.20 125.05 3dq8 s ILE 98 Ca -0.14 -1.23 -0.20 0.00 0.00 0.00 0.00 60.65 59.08 3dq8 s ILE 98 Cb -0.16 -1.91 0.03 0.00 0.01 0.00 0.00 42.46 40.43 3dq8 s ILE 98 CO 0.06 0.09 0.63 -0.36 0.00 0.00 0.00 174.94 175.36 3dq8 s PHE 99 N 1.30 3.06 -0.26 3.97 0.08 -0.10 -0.70 117.98 125.33 3dq8 s PHE 99 Ca -0.04 -0.19 -0.29 0.00 0.12 0.00 0.00 56.93 56.53 3dq8 s PHE 99 Cb -0.18 -3.36 0.01 0.00 -0.57 0.00 0.00 43.02 38.92 3dq8 s PHE 99 CO -0.07 -0.90 1.16 -0.06 -0.10 0.00 0.00 175.22 175.24 3dq8 s PHE 100 N 2.75 3.02 0.23 0.36 0.40 -0.17 -1.44 117.98 123.12 3dq8 s PHE 100 Ca 0.20 1.14 -0.32 0.00 -0.60 0.00 0.00 56.93 57.35 3dq8 s PHE 100 Cb -0.15 -3.61 -0.13 0.00 0.51 0.00 0.00 43.02 39.63 3dq8 s PHE 100 CO 0.17 -1.13 1.44 1.17 0.70 0.00 0.00 175.22 177.57 3dq8 n LYS 101 N 6.80 2.09 -1.92 0.44 3.00 -0.38 -0.93 118.16 127.26 3dq8 n LYS 101 Ca 0.13 0.75 -0.19 0.00 -0.00 0.00 0.00 58.31 59.00 3dq8 n LYS 101 Cb 0.46 -2.43 -0.05 0.00 0.00 0.00 0.00 35.03 33.02 3dq8 n LYS 101 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3dq8 n ASP 102 N 2.35 -5.36 -0.24 3.14 8.00 -1.26 -4.82 116.55 118.36 3dq8 n ASP 102 Ca 0.12 0.25 0.00 0.00 0.71 0.00 0.00 54.79 55.87 3dq8 n ASP 102 Cb 0.31 -4.47 0.00 0.00 -0.02 0.00 0.00 41.12 36.94 3dq8 n ASP 102 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3dq8 n ASP 103 N -1.31 0.00 -2.28 -2.24 -0.08 -0.11 -4.96 116.55 105.57 3dq8 n ASP 103 Ca -0.21 -0.24 -0.04 0.00 -1.51 0.00 0.00 54.79 52.80 3dq8 n ASP 103 Cb 0.64 0.00 0.03 0.00 2.34 0.00 0.00 41.12 44.13 3dq8 n ASP 103 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3dq8 n GLY 104 N 0.00 -1.32 3.14 0.27 0.00 -1.14 -4.61 105.19 101.53 3dq8 n GLY 104 Ca 0.00 -1.65 -0.14 0.00 0.00 0.00 0.00 46.02 44.23 3dq8 n GLY 104 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dq8 s ASN 105 N -1.63 1.22 -0.01 1.61 2.20 -0.81 -1.00 114.94 116.52 3dq8 s ASN 105 Ca 0.09 -0.74 0.02 0.00 -0.94 0.00 0.00 52.86 51.30 3dq8 s ASN 105 Cb -0.00 0.03 -0.03 0.00 -2.00 0.00 0.00 41.25 39.24 3dq8 s ASN 105 CO 0.07 -0.26 -0.05 -0.31 -2.94 0.00 0.00 177.10 173.60 3dq8 s TYR 106 N -2.18 2.94 -0.09 1.54 2.02 0.12 -1.58 117.35 120.12 3dq8 s TYR 106 Ca 0.01 0.00 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 3dq8 s TYR 106 Cb -0.05 -1.64 0.01 0.00 -0.40 0.00 0.00 41.96 39.88 3dq8 s TYR 106 CO -0.00 0.39 -0.17 0.15 -1.57 0.00 0.00 175.55 174.34 3dq8 s LYS 107 N -1.32 2.31 -0.00 -0.62 1.02 0.67 -0.47 119.74 121.32 3dq8 s LYS 107 Ca 0.17 -0.61 0.06 0.00 0.02 0.00 0.00 55.97 55.60 3dq8 s LYS 107 Cb -0.11 -1.85 -0.02 0.00 -0.52 0.00 0.00 37.83 35.33 3dq8 s LYS 107 CO 0.07 0.04 -0.19 0.95 -0.92 0.00 0.00 175.35 175.30 3dq8 s THR 108 N 0.67 1.52 -0.05 2.17 -4.23 -0.53 -0.77 115.64 114.42 3dq8 s THR 108 Ca -0.13 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 59.50 3dq8 s THR 108 Cb -0.16 -1.28 0.02 0.00 1.34 0.00 0.00 72.50 72.42 3dq8 s THR 108 CO 0.04 0.37 -0.08 -0.60 -0.54 0.00 0.00 174.62 173.81 3dq8 s ARG 109 N -0.61 1.19 0.03 3.99 3.52 -0.52 -1.60 118.95 124.94 3dq8 s ARG 109 Ca 0.07 -0.23 0.04 0.00 -0.13 0.00 0.00 55.73 55.47 3dq8 s ARG 109 Cb -0.08 -1.07 -0.02 0.00 -1.56 0.00 0.00 34.95 32.23 3dq8 s ARG 109 CO -0.00 -0.03 -0.11 0.00 -0.81 0.00 0.00 175.30 174.34 3dq8 s ALA 110 N 0.79 0.90 -0.20 6.12 0.00 -0.26 -0.88 121.76 128.24 3dq8 s ALA 110 Ca -0.13 -0.69 -0.01 0.00 0.00 0.00 0.00 51.96 51.13 3dq8 s ALA 110 Cb -0.15 -0.13 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3dq8 s ALA 110 CO 0.02 0.15 -0.14 -1.21 0.00 0.00 0.00 175.76 174.58 3dq8 s GLU 111 N -1.00 3.09 -0.24 0.00 2.02 0.42 -1.00 118.70 122.00 3dq8 s GLU 111 Ca -0.01 -0.78 -0.06 0.00 0.02 0.00 0.00 54.97 54.15 3dq8 s GLU 111 Cb -0.07 -2.74 -0.01 0.00 0.10 0.00 0.00 34.13 31.40 3dq8 s GLU 111 CO 0.01 -0.22 0.02 0.08 0.02 0.00 0.00 175.26 175.16 3dq8 s VAL 112 N 1.35 3.84 0.08 2.63 1.01 0.26 -1.67 120.40 127.90 3dq8 s VAL 112 Ca 0.05 -0.38 -0.26 0.00 0.00 0.00 0.00 61.98 61.38 3dq8 s VAL 112 Cb -0.14 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.52 3dq8 s VAL 112 CO -0.09 0.34 0.82 -1.59 0.00 0.00 0.00 175.10 174.58 3dq8 s LYS 113 N 1.54 1.06 0.25 2.72 -2.85 -0.72 -0.15 119.74 121.59 3dq8 s LYS 113 Ca 0.06 -0.45 -0.30 0.00 -1.00 0.00 0.00 55.97 54.28 3dq8 s LYS 113 Cb -0.15 0.45 -0.09 0.00 -2.06 0.00 0.00 37.83 35.98 3dq8 s LYS 113 CO 0.00 -0.47 0.95 -0.06 0.10 0.00 0.00 175.35 175.87 3dq8 s PHE 114 N -3.36 3.95 -0.41 1.78 0.08 -1.08 -0.70 117.98 118.24 3dq8 s PHE 114 Ca 0.06 1.90 0.03 0.00 0.12 0.00 0.00 56.93 59.04 3dq8 s PHE 114 Cb -0.01 -2.99 0.11 0.00 -0.57 0.00 0.00 43.02 39.56 3dq8 s PHE 114 CO -0.07 0.40 0.14 -1.21 -0.10 0.00 0.00 175.22 174.38 3dq8 s GLU 115 N -1.26 1.58 6.59 0.44 0.41 0.64 -4.94 118.70 122.15 3dq8 s GLU 115 Ca 0.42 -2.09 0.00 0.00 -0.41 0.00 0.00 54.97 52.89 3dq8 s GLU 115 Cb -0.26 -3.08 0.00 0.00 -1.78 0.00 0.00 34.13 29.01 3dq8 s GLU 115 CO 0.32 -1.02 0.00 0.41 -0.49 0.00 0.00 175.26 174.48 3dq8 n GLY 116 N 3.83 3.80 0.04 -1.39 0.00 -1.26 -2.33 105.19 107.89 3dq8 n GLY 116 Ca 0.04 0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.28 3dq8 n GLY 116 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3dq8 n ASP 117 N 6.53 0.54 -4.72 1.61 8.00 -1.26 -4.83 116.55 122.42 3dq8 n ASP 117 Ca 0.00 0.19 -0.38 0.00 0.71 0.00 0.00 54.79 55.31 3dq8 n ASP 117 Cb 0.00 -0.12 -0.06 0.00 -0.02 0.00 0.00 41.12 40.91 3dq8 n ASP 117 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3dq8 s THR 118 N -3.08 5.19 -0.20 -3.53 2.01 -0.98 -4.35 115.64 110.69 3dq8 s THR 118 Ca 0.10 0.94 -0.24 0.00 0.31 0.00 0.00 61.69 62.80 3dq8 s THR 118 Cb 0.15 -3.81 -0.01 0.00 0.01 0.00 0.00 72.50 68.84 3dq8 s THR 118 CO 0.66 0.32 0.79 -0.22 -0.69 0.00 0.00 174.62 175.47 3dq8 s LEU 119 N 0.67 4.13 -0.07 4.42 1.98 -0.59 -0.26 118.68 128.97 3dq8 s LEU 119 Ca 0.26 1.05 0.05 0.00 -2.89 0.00 0.00 54.13 52.60 3dq8 s LEU 119 Cb -0.15 -3.14 -0.01 0.00 0.66 0.00 0.00 46.19 43.55 3dq8 s LEU 119 CO 0.10 -0.41 -0.24 -0.69 -1.89 0.00 0.00 176.35 173.22 3dq8 s VAL 120 N 2.34 1.98 -0.36 1.68 1.01 0.13 -1.08 120.40 126.09 3dq8 s VAL 120 Ca 0.35 -1.01 0.02 0.00 0.00 0.00 0.00 61.98 61.34 3dq8 s VAL 120 Cb -0.16 -1.69 0.11 0.00 0.00 0.00 0.00 36.38 34.64 3dq8 s VAL 120 CO 0.10 0.55 0.12 0.21 0.00 0.00 0.00 175.10 176.08 3dq8 s ASN 121 N 0.03 4.26 -0.29 3.32 2.47 -0.28 -1.76 114.94 122.70 3dq8 s ASN 121 Ca -0.09 -2.10 -0.17 0.00 0.42 0.00 0.00 52.86 50.92 3dq8 s ASN 121 Cb -0.15 -1.23 -0.02 0.00 -1.45 0.00 0.00 41.25 38.39 3dq8 s ASN 121 CO 0.05 -0.36 0.48 -0.13 -3.72 0.00 0.00 177.10 173.42 3dq8 s ARG 122 N 0.99 3.94 0.05 0.43 0.52 -0.67 -2.02 118.95 122.20 3dq8 s ARG 122 Ca 0.12 0.13 0.07 0.00 -0.52 0.00 0.00 55.73 55.53 3dq8 s ARG 122 Cb -0.20 -3.69 -0.03 0.00 0.52 0.00 0.00 34.95 31.55 3dq8 s ARG 122 CO -0.13 -0.40 -0.21 0.42 0.02 0.00 0.00 175.30 175.00 3dq8 s ILE 123 N 2.27 1.69 -0.08 1.52 1.01 -0.26 -0.43 121.20 126.92 3dq8 s ILE 123 Ca 0.19 -1.23 0.03 0.00 0.00 0.00 0.00 60.65 59.64 3dq8 s ILE 123 Cb -0.16 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.84 3dq8 s ILE 123 CO 0.10 0.19 -0.18 -1.61 0.00 0.00 0.00 174.94 173.44 3dq8 s GLU 124 N -1.24 2.38 -0.10 2.79 2.02 -0.06 -1.59 118.70 122.90 3dq8 s GLU 124 Ca 0.08 -0.66 0.02 0.00 0.02 0.00 0.00 54.97 54.42 3dq8 s GLU 124 Cb -0.09 -1.86 0.01 0.00 0.10 0.00 0.00 34.13 32.29 3dq8 s GLU 124 CO 0.02 0.12 -0.15 -1.17 0.02 0.00 0.00 175.26 174.11 3dq8 s LEU 125 N 0.46 1.69 -0.17 1.80 0.20 0.08 -1.44 118.68 121.30 3dq8 s LEU 125 Ca -0.16 -0.41 0.00 0.00 0.69 0.00 0.00 54.13 54.25 3dq8 s LEU 125 Cb -0.17 -1.05 0.00 0.00 -0.43 0.00 0.00 46.19 44.55 3dq8 s LEU 125 CO 0.06 0.01 -0.16 -0.54 -0.29 0.00 0.00 176.35 175.44 3dq8 s LYS 126 N 0.99 3.16 -0.10 1.98 3.01 0.05 -1.41 119.74 127.42 3dq8 s LYS 126 Ca -0.07 -0.77 -0.01 0.00 -1.01 0.00 0.00 55.97 54.12 3dq8 s LYS 126 Cb -0.15 -2.64 -0.03 0.00 -1.01 0.00 0.00 37.83 34.00 3dq8 s LYS 126 CO -0.01 -0.07 -0.05 0.20 0.51 0.00 0.00 175.35 175.92 3dq8 s GLY 127 N 1.03 1.72 0.16 -3.33 0.00 0.23 -0.24 107.32 106.90 3dq8 s GLY 127 Ca -0.01 -0.85 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3dq8 s GLY 127 CO -0.04 -0.47 0.04 -0.26 0.00 0.00 0.00 173.10 172.38 3dq8 s ILE 128 N -0.45 0.38 -1.68 0.90 -4.36 -0.61 -0.97 121.20 114.41 3dq8 s ILE 128 Ca 0.07 -1.95 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 3dq8 s ILE 128 Cb -0.12 -2.16 0.00 0.00 1.25 0.00 0.00 42.46 41.43 3dq8 s ILE 128 CO 0.02 -0.40 0.00 0.47 0.24 0.00 0.00 174.94 175.27 3dq8 n ASP 129 N -0.20 -5.26 -4.84 4.36 8.00 -1.26 -1.92 116.55 115.43 3dq8 n ASP 129 Ca -0.05 0.14 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 3dq8 n ASP 129 Cb 0.64 -4.47 -0.03 0.00 -0.02 0.00 0.00 41.12 37.24 3dq8 n ASP 129 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3dq8 s PHE 130 N -2.84 3.42 -0.21 1.24 0.08 -1.26 -2.88 117.98 115.52 3dq8 s PHE 130 Ca 0.00 1.48 -0.16 0.00 0.12 0.00 0.00 56.93 58.36 3dq8 s PHE 130 Cb 0.00 -2.81 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 3dq8 s PHE 130 CO 0.00 -0.40 0.43 0.15 -0.10 0.00 0.00 175.22 175.30 3dq8 s LYS 131 N -4.02 4.16 0.49 0.44 1.02 -1.26 -4.89 119.74 115.69 3dq8 s LYS 131 Ca 0.59 0.25 0.26 0.00 0.02 0.00 0.00 55.97 57.09 3dq8 s LYS 131 Cb -0.10 -3.55 1.32 0.00 -0.52 0.00 0.00 37.83 34.98 3dq8 s LYS 131 CO 0.31 -0.09 1.88 0.93 -0.92 0.00 0.00 175.35 177.45 3dq8 h GLU 132 N 7.46 0.16 -0.34 1.68 4.39 -1.96 -1.05 114.58 124.92 3dq8 h GLU 132 Ca -0.35 -0.01 -0.13 0.00 0.34 0.00 0.00 59.36 59.21 3dq8 h GLU 132 Cb 1.16 -0.03 -0.08 0.00 -0.10 0.00 0.00 28.75 29.70 3dq8 h GLU 132 CO 0.72 0.10 -0.02 -0.40 -1.16 0.00 0.00 179.01 178.25 3dq8 n ASP 133 N -4.38 2.97 -2.11 1.42 5.68 -1.26 -3.45 116.55 115.43 3dq8 n ASP 133 Ca 0.19 -3.51 0.00 0.00 -0.50 0.00 0.00 54.79 50.97 3dq8 n ASP 133 Cb 0.85 -0.61 0.00 0.00 -1.14 0.00 0.00 41.12 40.22 3dq8 n ASP 133 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3dq8 n GLY 134 N -0.94 -0.27 0.21 6.12 0.00 -0.40 -4.68 105.19 105.24 3dq8 n GLY 134 Ca 0.30 -1.76 0.08 0.00 0.00 0.00 0.00 46.02 44.64 3dq8 n GLY 134 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3dq8 h ASN 135 N 0.00 0.00 0.00 1.61 2.35 -1.90 0.20 115.58 117.84 3dq8 h ASN 135 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dq8 h ASN 135 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3dq8 h ASN 135 CO 0.00 0.28 0.00 -0.38 -1.65 0.00 0.00 177.43 175.68 3dq8 n ILE 136 N -3.49 0.00 0.28 2.81 -0.00 -1.26 -1.16 119.36 116.53 3dq8 n ILE 136 Ca -0.00 0.49 0.15 0.00 -0.00 0.00 0.00 62.75 63.39 3dq8 n ILE 136 Cb 0.44 -1.48 0.80 0.00 -0.00 0.00 0.00 39.64 39.40 3dq8 n ILE 136 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.55 176.48 3dq8 h LEU 137 N 0.00 0.00 -1.43 1.39 3.38 -1.72 -0.05 115.31 116.87 3dq8 h LEU 137 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3dq8 h LEU 137 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3dq8 h LEU 137 CO 0.00 0.08 0.00 0.61 0.09 0.00 0.00 178.44 179.22 3dq8 n GLY 138 N -0.63 0.78 4.01 0.83 0.00 0.06 -4.83 105.19 105.41 3dq8 n GLY 138 Ca -0.02 -0.44 -0.26 0.00 0.00 0.00 0.00 46.02 45.30 3dq8 n GLY 138 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dq8 n HIS 139 N 0.63 -1.58 -0.49 1.61 8.25 -0.03 -4.90 115.22 118.71 3dq8 n HIS 139 Ca 0.14 0.72 0.10 0.00 -0.26 0.00 0.00 57.72 58.42 3dq8 n HIS 139 Cb 0.34 -3.57 0.33 0.00 1.12 0.00 0.00 29.99 28.21 3dq8 n HIS 139 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3dq8 n LYS 140 N -4.43 3.21 -3.68 -0.41 5.02 -0.31 -4.97 118.16 112.59 3dq8 n LYS 140 Ca -0.31 -2.73 -0.37 0.00 -2.02 0.00 0.00 58.31 52.88 3dq8 n LYS 140 Cb 0.69 -1.70 -0.07 0.00 -0.02 0.00 0.00 35.03 33.93 3dq8 n LYS 140 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3dq8 s LEU 141 N -1.43 4.34 0.61 -0.35 1.43 -1.25 -1.65 118.68 120.40 3dq8 s LEU 141 Ca 0.48 0.56 -0.18 0.00 -1.03 0.00 0.00 54.13 53.96 3dq8 s LEU 141 Cb 0.28 -2.28 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 3dq8 s LEU 141 CO 0.28 0.27 1.16 -1.61 0.23 0.00 0.00 176.35 176.68 3dq8 s GLU 142 N -0.43 2.95 -1.30 1.70 2.02 0.72 -4.90 118.70 119.47 3dq8 s GLU 142 Ca 0.16 1.66 -0.14 0.00 0.02 0.00 0.00 54.97 56.68 3dq8 s GLU 142 Cb -0.13 -1.95 0.12 0.00 0.10 0.00 0.00 34.13 32.27 3dq8 s GLU 142 CO 0.05 -1.18 1.76 0.98 0.02 0.00 0.00 175.26 176.90 3dq8 n TYR 143 N -1.81 4.14 -3.48 1.61 9.36 -1.26 -4.82 117.16 120.91 3dq8 n TYR 143 Ca 0.12 -3.02 -0.03 0.00 3.32 0.00 0.00 57.90 58.29 3dq8 n TYR 143 Cb 0.51 -2.31 0.01 0.00 -0.63 0.00 0.00 39.34 36.92 3dq8 n TYR 143 CO 0.00 0.00 0.00 0.27 0.22 0.00 0.00 176.86 177.35 3dq8 n ASN 144 N 6.00 -1.03 -3.64 2.98 0.23 -1.26 -4.89 115.26 113.65 3dq8 n ASN 144 Ca 0.43 -1.67 -0.08 0.00 -0.53 0.00 0.00 54.58 52.74 3dq8 n ASN 144 Cb 0.41 1.71 -0.07 0.00 -2.08 0.00 0.00 39.78 39.75 3dq8 n ASN 144 CO 0.00 0.00 0.00 -0.47 -0.93 0.00 0.00 177.26 175.86 3dq8 s TYR 145 N -5.14 -0.64 0.32 -2.53 5.04 -1.26 -4.89 117.35 108.25 3dq8 s TYR 145 Ca 0.09 1.43 -0.04 0.00 -2.44 0.00 0.00 57.07 56.12 3dq8 s TYR 145 Cb -0.02 0.38 -0.05 0.00 0.35 0.00 0.00 41.96 42.63 3dq8 s TYR 145 CO 0.05 -0.31 0.57 -0.80 -1.34 0.00 0.00 175.55 173.72 3dq8 s ASN 146 N 0.72 6.39 0.43 4.32 0.01 -1.26 -4.76 114.94 120.79 3dq8 s ASN 146 Ca -0.02 0.67 -0.13 0.00 -0.71 0.00 0.00 52.86 52.67 3dq8 s ASN 146 Cb -0.05 -2.12 -0.07 0.00 0.41 0.00 0.00 41.25 39.42 3dq8 s ASN 146 CO -0.09 -0.26 0.83 -0.44 -1.51 0.00 0.00 177.10 175.64 3dq8 s SER 147 N -3.47 6.57 -0.24 -1.22 0.01 -1.26 -4.63 113.70 109.46 3dq8 s SER 147 Ca 0.43 1.28 -0.15 0.00 1.31 0.00 0.00 55.95 58.82 3dq8 s SER 147 Cb -0.10 -2.38 0.07 0.00 0.21 0.00 0.00 66.02 63.81 3dq8 s SER 147 CO 0.33 -0.45 0.59 -1.00 0.41 0.00 0.00 173.24 173.12 3dq8 s HIS 148 N -2.43 -0.85 0.24 2.43 3.76 -0.70 -5.01 115.29 112.74 3dq8 s HIS 148 Ca 0.54 1.79 -0.30 0.00 -0.15 0.00 0.00 55.06 56.94 3dq8 s HIS 148 Cb -0.10 0.45 -0.09 0.00 1.11 0.00 0.00 32.58 33.95 3dq8 s HIS 148 CO 0.31 -0.43 0.93 -0.80 -0.85 0.00 0.00 174.74 173.89 3dq8 s ASN 149 N 1.30 7.62 -0.15 1.40 0.02 -1.26 -0.63 114.94 123.23 3dq8 s ASN 149 Ca -0.08 1.93 0.01 0.00 -1.02 0.00 0.00 52.86 53.70 3dq8 s ASN 149 Cb -0.06 -2.60 0.01 0.00 0.02 0.00 0.00 41.25 38.62 3dq8 s ASN 149 CO -0.14 0.15 -0.19 -0.69 0.02 0.00 0.00 177.10 176.26 3dq8 s VAL 150 N -1.20 2.34 -0.26 1.60 1.01 -0.10 -4.82 120.40 118.98 3dq8 s VAL 150 Ca 0.41 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.42 3dq8 s VAL 150 Cb -0.25 -1.97 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 3dq8 s VAL 150 CO 0.31 0.53 0.14 -0.31 0.00 0.00 0.00 175.10 175.77 3dq8 s TYR 151 N 0.89 3.19 -0.16 5.22 2.02 -1.23 -0.17 117.35 127.12 3dq8 s TYR 151 Ca -0.04 -0.05 -0.05 0.00 -0.37 0.00 0.00 57.07 56.55 3dq8 s TYR 151 Cb -0.15 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.08 3dq8 s TYR 151 CO -0.03 -0.17 0.03 0.42 -1.57 0.00 0.00 175.55 174.23 3dq8 s ILE 152 N 1.52 4.48 0.13 2.71 1.01 0.75 -3.13 121.20 128.67 3dq8 s ILE 152 Ca 0.07 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.63 3dq8 s ILE 152 Cb -0.15 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 3dq8 s ILE 152 CO 0.07 0.50 -0.15 0.00 0.00 0.00 0.00 174.94 175.36 3dq8 s MET 153 N 0.14 1.09 0.54 2.79 0.23 0.70 -2.45 119.30 122.34 3dq8 s MET 153 Ca 0.03 -1.29 -0.22 0.00 -1.03 0.00 0.00 55.69 53.18 3dq8 s MET 153 Cb -0.13 -1.01 -0.05 0.00 -1.53 0.00 0.00 34.83 32.11 3dq8 s MET 153 CO 0.01 0.20 1.38 0.00 -2.03 0.00 0.00 175.02 174.58 3dq8 s ALA 154 N -2.13 2.87 -0.65 3.16 0.00 -1.24 -0.79 121.76 122.97 3dq8 s ALA 154 Ca 0.11 1.37 0.05 0.00 0.00 0.00 0.00 51.96 53.49 3dq8 s ALA 154 Cb -0.05 -3.58 0.17 0.00 0.00 0.00 0.00 23.12 19.66 3dq8 s ALA 154 CO 0.04 -1.39 0.47 -3.47 0.00 0.00 0.00 175.76 171.41 3dq8 n ASP 155 N -0.95 2.32 -0.06 0.00 -0.08 0.02 -4.61 116.55 113.19 3dq8 n ASP 155 Ca 0.10 -3.05 -0.01 0.00 -1.51 0.00 0.00 54.79 50.32 3dq8 n ASP 155 Cb 0.44 -0.71 0.26 0.00 2.34 0.00 0.00 41.12 43.45 3dq8 n ASP 155 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 3dq8 h LYS 156 N 5.39 0.67 0.00 -0.67 1.57 -1.94 -1.80 116.57 119.79 3dq8 h LYS 156 Ca 0.18 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3dq8 h LYS 156 Cb 0.78 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.99 3dq8 h LYS 156 CO 0.65 0.63 0.00 1.96 -0.57 0.00 0.00 179.45 182.12 3dq8 h GLN 157 N 0.65 0.00 -0.40 3.15 4.20 -1.94 -2.92 115.11 117.84 3dq8 h GLN 157 Ca 0.14 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.85 3dq8 h GLN 157 Cb 0.28 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.06 3dq8 h GLN 157 CO 0.00 0.00 0.00 1.63 -0.67 0.00 0.00 178.83 179.79 3dq8 n LYS 158 N -3.01 3.45 -3.06 1.46 5.02 -0.90 -4.97 118.16 116.16 3dq8 n LYS 158 Ca 0.03 -2.79 -0.20 0.00 -2.02 0.00 0.00 58.31 53.32 3dq8 n LYS 158 Cb 0.43 -1.85 0.00 0.00 -0.02 0.00 0.00 35.03 33.60 3dq8 n LYS 158 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3dq8 n ASN 159 N 0.16 -4.09 0.00 4.39 5.15 -0.94 -4.85 115.26 115.08 3dq8 n ASN 159 Ca 0.22 -0.21 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 3dq8 n ASN 159 Cb 0.88 -3.39 0.00 0.00 -0.53 0.00 0.00 39.78 36.74 3dq8 n ASN 159 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3dq8 n GLY 160 N -1.12 4.35 3.18 8.20 0.00 -0.73 -4.48 105.19 114.59 3dq8 n GLY 160 Ca -0.06 -0.74 -0.11 0.00 0.00 0.00 0.00 46.02 45.10 3dq8 n GLY 160 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dq8 s ILE 161 N 0.01 0.72 -0.01 -0.61 -4.36 -0.61 -0.80 121.20 115.52 3dq8 s ILE 161 Ca 0.00 -1.95 0.08 0.00 -0.26 0.00 0.00 60.65 58.52 3dq8 s ILE 161 Cb 0.00 -1.75 -0.02 0.00 1.25 0.00 0.00 42.46 41.94 3dq8 s ILE 161 CO 0.00 -0.81 -0.25 -0.54 0.24 0.00 0.00 174.94 173.58 3dq8 s LYS 162 N -3.84 2.00 0.01 0.37 1.02 0.03 -1.28 119.74 118.04 3dq8 s LYS 162 Ca 0.14 -0.90 0.03 0.00 0.02 0.00 0.00 55.97 55.25 3dq8 s LYS 162 Cb 0.05 -1.95 -0.01 0.00 -0.52 0.00 0.00 37.83 35.40 3dq8 s LYS 162 CO -0.03 0.53 -0.09 0.08 -0.92 0.00 0.00 175.35 174.92 3dq8 s VAL 163 N -0.60 0.66 -0.11 3.17 1.01 -0.04 -0.22 120.40 124.28 3dq8 s VAL 163 Ca 0.10 -0.57 -0.06 0.00 0.00 0.00 0.00 61.98 61.44 3dq8 s VAL 163 Cb -0.10 -0.60 0.04 0.00 0.00 0.00 0.00 36.38 35.73 3dq8 s VAL 163 CO -0.01 0.03 0.26 0.21 0.00 0.00 0.00 175.10 175.59 3dq8 s ASN 164 N -0.60 -0.28 -0.11 3.32 3.84 -1.18 -0.79 114.94 119.13 3dq8 s ASN 164 Ca 0.00 0.54 -0.33 0.00 0.21 0.00 0.00 52.86 53.29 3dq8 s ASN 164 Cb -0.05 0.45 0.12 0.00 -0.55 0.00 0.00 41.25 41.23 3dq8 s ASN 164 CO 0.00 -0.15 1.14 0.72 -2.79 0.00 0.00 177.10 176.02 3dq8 s PHE 165 N 1.03 -0.16 0.08 0.43 -0.71 -0.89 -3.53 117.98 114.22 3dq8 s PHE 165 Ca -0.07 0.08 0.09 0.00 -1.04 0.00 0.00 56.93 55.98 3dq8 s PHE 165 Cb -0.08 0.53 -0.03 0.00 -1.21 0.00 0.00 43.02 42.22 3dq8 s PHE 165 CO -0.07 -0.32 -0.25 0.15 -1.34 0.00 0.00 175.22 173.40 3dq8 s LYS 166 N -2.61 1.51 -0.06 1.99 1.02 -1.26 -0.30 119.74 120.03 3dq8 s LYS 166 Ca 0.09 -1.15 0.06 0.00 0.02 0.00 0.00 55.97 54.99 3dq8 s LYS 166 Cb -0.00 -1.78 -0.01 0.00 -0.52 0.00 0.00 37.83 35.51 3dq8 s LYS 166 CO -0.05 0.44 -0.24 0.42 -0.92 0.00 0.00 175.35 175.00 3dq8 s ILE 167 N -0.92 1.97 -0.23 2.17 -1.09 -0.15 -4.99 121.20 117.96 3dq8 s ILE 167 Ca 0.11 -1.02 -0.04 0.00 -2.23 0.00 0.00 60.65 57.47 3dq8 s ILE 167 Cb -0.10 -1.67 -0.01 0.00 -1.58 0.00 0.00 42.46 39.11 3dq8 s ILE 167 CO 0.03 0.55 -0.02 -0.13 -1.23 0.00 0.00 174.94 174.14 3dq8 s ARG 168 N -0.11 3.33 -0.18 2.79 0.52 -1.26 -0.66 118.95 123.39 3dq8 s ARG 168 Ca -0.04 -0.66 -0.14 0.00 -0.52 0.00 0.00 55.73 54.37 3dq8 s ARG 168 Cb -0.14 -3.06 -0.05 0.00 0.52 0.00 0.00 34.95 32.22 3dq8 s ARG 168 CO 0.04 -0.23 0.28 -1.01 0.02 0.00 0.00 175.30 174.40 3dq8 s HIS 169 N 1.48 3.43 0.11 -0.53 3.76 0.51 -4.65 115.29 119.40 3dq8 s HIS 169 Ca 0.05 0.55 -0.31 0.00 -0.15 0.00 0.00 55.06 55.20 3dq8 s HIS 169 Cb -0.15 -2.35 -0.08 0.00 1.11 0.00 0.00 32.58 31.12 3dq8 s HIS 169 CO -0.02 0.19 1.39 -0.80 -0.85 0.00 0.00 174.74 174.66 3dq8 s ASN 170 N 0.59 6.82 0.16 1.40 0.01 -1.26 0.13 114.94 122.79 3dq8 s ASN 170 Ca 0.15 2.31 -0.02 0.00 -0.71 0.00 0.00 52.86 54.60 3dq8 s ASN 170 Cb -0.13 -2.58 -0.05 0.00 0.41 0.00 0.00 41.25 38.90 3dq8 s ASN 170 CO 0.04 -0.66 0.35 -0.63 -1.51 0.00 0.00 177.10 174.69 3dq8 s ILE 171 N 1.23 5.23 0.32 0.60 1.01 -0.60 -0.20 121.20 128.80 3dq8 s ILE 171 Ca 0.65 -0.27 0.03 0.00 0.00 0.00 0.00 60.65 61.06 3dq8 s ILE 171 Cb -0.36 -3.68 0.28 0.00 0.01 0.00 0.00 42.46 38.71 3dq8 s ILE 171 CO 0.30 -0.06 1.93 1.05 0.00 0.00 0.00 174.94 178.16 3dq8 h GLU 172 N 2.42 0.90 0.00 2.79 4.11 -1.62 0.37 114.58 123.55 3dq8 h GLU 172 Ca -0.47 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 58.91 3dq8 h GLU 172 Cb 1.18 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 30.23 3dq8 h GLU 172 CO 0.71 0.59 0.00 -0.40 0.07 0.00 0.00 179.01 179.98 3dq8 n ASP 173 N -4.48 0.00 0.00 3.06 5.75 -1.26 -4.86 116.55 114.76 3dq8 n ASP 173 Ca 0.12 -1.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.79 3dq8 n ASP 173 Cb 0.21 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 3dq8 n ASP 173 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3dq8 n GLY 174 N 0.25 3.14 0.00 6.12 0.00 0.12 -5.08 105.19 109.75 3dq8 n GLY 174 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3dq8 n GLY 174 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3dq8 n SER 175 N 0.00 -0.11 -4.15 1.61 2.88 -1.25 -4.79 113.62 107.80 3dq8 n SER 175 Ca 0.00 -0.81 -0.19 0.00 -1.33 0.00 0.00 58.87 56.54 3dq8 n SER 175 Cb 0.00 0.00 -0.13 0.00 -0.75 0.00 0.00 64.21 63.33 3dq8 n SER 175 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 3dq8 s VAL 176 N -0.87 1.07 -0.35 2.46 -7.23 -1.26 -1.56 120.40 112.66 3dq8 s VAL 176 Ca 0.00 -1.14 -0.09 0.00 -1.81 0.00 0.00 61.98 58.94 3dq8 s VAL 176 Cb 0.00 -1.00 0.03 0.00 0.56 0.00 0.00 36.38 35.96 3dq8 s VAL 176 CO 0.00 -0.13 0.15 -1.58 -0.31 0.00 0.00 175.10 173.23 3dq8 s GLN 177 N -1.45 2.82 0.13 4.82 2.00 0.12 -4.91 119.66 123.19 3dq8 s GLN 177 Ca -0.01 -1.07 -0.30 0.00 -2.00 0.00 0.00 55.36 51.99 3dq8 s GLN 177 Cb -0.09 -3.59 -0.06 0.00 0.80 0.00 0.00 33.01 30.07 3dq8 s GLN 177 CO 0.02 -0.64 1.06 -0.51 -0.50 0.00 0.00 175.29 174.72 3dq8 s LEU 178 N 1.50 4.47 -0.27 3.68 1.43 -1.26 -0.37 118.68 127.86 3dq8 s LEU 178 Ca 0.01 1.95 -0.01 0.00 -1.03 0.00 0.00 54.13 55.05 3dq8 s LEU 178 Cb -0.19 -3.59 0.09 0.00 0.03 0.00 0.00 46.19 42.52 3dq8 s LEU 178 CO 0.05 -0.20 0.06 0.00 0.23 0.00 0.00 176.35 176.49 3dq8 s ALA 179 N 0.09 1.50 -0.34 4.21 0.00 0.17 -1.25 121.76 126.15 3dq8 s ALA 179 Ca 0.50 -1.42 -0.23 0.00 0.00 0.00 0.00 51.96 50.80 3dq8 s ALA 179 Cb -0.27 -1.50 0.01 0.00 0.00 0.00 0.00 23.12 21.36 3dq8 s ALA 179 CO 0.32 -1.49 0.78 -0.51 0.00 0.00 0.00 175.76 174.87 3dq8 s ASP 180 N 1.63 6.60 -0.17 0.00 1.11 -0.52 -0.98 116.67 124.34 3dq8 s ASP 180 Ca 0.05 0.49 -0.07 0.00 0.18 0.00 0.00 52.55 53.20 3dq8 s ASP 180 Cb -0.17 -2.40 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 3dq8 s ASP 180 CO -0.18 -0.68 0.07 -1.00 1.18 0.00 0.00 175.17 174.56 3dq8 s HIS 181 N 3.04 3.30 -0.16 4.23 3.76 0.59 -0.92 115.29 129.13 3dq8 s HIS 181 Ca 0.32 0.16 0.02 0.00 -0.15 0.00 0.00 55.06 55.41 3dq8 s HIS 181 Cb -0.14 -2.05 0.01 0.00 1.11 0.00 0.00 32.58 31.52 3dq8 s HIS 181 CO 0.15 0.26 -0.21 0.71 -0.85 0.00 0.00 174.74 174.80 3dq8 s TYR 182 N 0.12 2.68 0.03 1.40 1.51 -0.24 -2.09 117.35 120.76 3dq8 s TYR 182 Ca 0.06 -1.46 0.02 0.00 -1.01 0.00 0.00 57.07 54.68 3dq8 s TYR 182 Cb -0.12 -1.84 -0.02 0.00 -0.11 0.00 0.00 41.96 39.87 3dq8 s TYR 182 CO 0.00 -0.69 -0.07 -1.14 -1.11 0.00 0.00 175.55 172.54 3dq8 s GLN 183 N 1.04 0.49 -0.02 -0.62 0.74 0.03 -1.40 119.66 119.92 3dq8 s GLN 183 Ca -0.02 -0.62 0.00 0.00 0.05 0.00 0.00 55.36 54.78 3dq8 s GLN 183 Cb -0.14 -0.30 0.02 0.00 1.10 0.00 0.00 33.01 33.68 3dq8 s GLN 183 CO -0.07 0.06 -0.00 -1.14 -0.55 0.00 0.00 175.29 173.59 3dq8 s GLN 184 N -1.24 0.16 -0.02 1.67 0.74 -0.52 -0.86 119.66 119.59 3dq8 s GLN 184 Ca -0.07 0.04 0.05 0.00 0.05 0.00 0.00 55.36 55.42 3dq8 s GLN 184 Cb -0.08 -0.28 -0.01 0.00 1.10 0.00 0.00 33.01 33.74 3dq8 s GLN 184 CO 0.00 -0.07 -0.16 -0.80 -0.55 0.00 0.00 175.29 173.71 3dq8 s ASN 185 N 0.58 1.95 -0.01 6.67 -0.87 -0.41 -0.79 114.94 122.06 3dq8 s ASN 185 Ca -0.05 -0.30 -0.01 0.00 -1.57 0.00 0.00 52.86 50.93 3dq8 s ASN 185 Cb -0.08 -0.30 0.01 0.00 -0.02 0.00 0.00 41.25 40.86 3dq8 s ASN 185 CO -0.01 0.19 0.03 0.42 -2.57 0.00 0.00 177.10 175.15 3dq8 s THR 186 N -0.27 -0.01 0.48 1.60 -4.23 -0.81 -1.58 115.64 110.81 3dq8 s THR 186 Ca 0.04 0.04 -0.24 0.00 -1.18 0.00 0.00 61.69 60.35 3dq8 s THR 186 Cb -0.08 -0.05 -0.08 0.00 1.34 0.00 0.00 72.50 73.63 3dq8 s THR 186 CO -0.00 0.02 1.31 -0.81 -0.54 0.00 0.00 174.62 174.60 3dq8 n PRO 187 N 3.30 1.86 0.11 3.99 -0.04 -1.26 0.20 135.00 143.16 3dq8 n PRO 187 Ca -0.15 0.67 -0.19 0.00 -0.04 0.00 0.00 63.50 63.79 3dq8 n PRO 187 Cb 0.58 -2.48 -0.15 0.00 -0.04 0.00 0.00 33.50 31.41 3dq8 n PRO 187 CO 0.00 0.00 0.00 0.82 -0.04 0.00 0.00 175.50 176.28 3dq8 h ILE 188 N 1.83 1.36 -4.43 0.52 2.04 -1.29 -3.44 117.51 114.11 3dq8 h ILE 188 Ca -0.49 -2.88 -0.49 0.00 1.00 0.00 0.00 64.86 61.99 3dq8 h ILE 188 Cb 1.30 2.95 0.09 0.00 -0.74 0.00 0.00 36.82 40.42 3dq8 h ILE 188 CO 0.59 0.85 0.39 -0.83 0.00 0.00 0.00 178.15 179.15 3dq8 s GLY 189 N -4.70 1.62 0.00 5.37 0.00 -1.26 -5.01 107.32 103.35 3dq8 s GLY 189 Ca -0.07 -0.33 0.26 0.00 0.00 0.00 0.00 44.72 44.57 3dq8 s GLY 189 CO 0.90 0.07 1.47 1.34 0.00 0.00 0.00 173.10 176.88 3dq8 n ASP 190 N -3.19 1.03 -4.82 1.64 2.03 -1.26 -4.98 116.55 106.99 3dq8 n ASP 190 Ca 0.07 -0.84 -0.29 0.00 0.52 0.00 0.00 54.79 54.25 3dq8 n ASP 190 Cb 0.57 0.22 0.10 0.00 -0.72 0.00 0.00 41.12 41.29 3dq8 n ASP 190 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 3dq8 s GLY 191 N -2.61 1.60 0.63 0.27 0.00 -1.26 -5.04 107.32 100.92 3dq8 s GLY 191 Ca 0.21 -0.40 -0.18 0.00 0.00 0.00 0.00 44.72 44.34 3dq8 s GLY 191 CO 0.57 0.07 1.25 2.56 0.00 0.00 0.00 173.10 177.55 3dq8 s PRO 192 N -5.29 2.71 0.05 2.90 0.04 -1.26 -5.05 135.00 129.10 3dq8 s PRO 192 Ca 0.62 1.94 0.00 0.00 0.04 0.00 0.00 61.00 63.60 3dq8 s PRO 192 Cb -0.14 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.49 3dq8 s PRO 192 CO 0.53 -1.44 -0.04 0.14 0.04 0.00 0.00 177.00 176.22 3dq8 s VAL 193 N -1.52 0.31 -0.11 -0.36 -7.23 -1.26 -4.83 120.40 105.40 3dq8 s VAL 193 Ca 0.80 -1.55 -0.30 0.00 -1.81 0.00 0.00 61.98 59.12 3dq8 s VAL 193 Cb -0.34 -1.16 -0.02 0.00 0.56 0.00 0.00 36.38 35.42 3dq8 s VAL 193 CO 0.37 -0.80 1.11 -0.76 -0.31 0.00 0.00 175.10 174.71 3dq8 s LEU 194 N -2.47 4.23 -0.24 1.32 1.43 -1.26 -5.01 118.68 116.68 3dq8 s LEU 194 Ca 0.01 1.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.69 3dq8 s LEU 194 Cb 0.02 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 3dq8 s LEU 194 CO -0.06 -0.56 0.01 -0.76 0.23 0.00 0.00 176.35 175.21 3dq8 s LEU 195 N 2.39 3.20 0.36 1.79 1.43 -1.26 -4.01 118.68 122.57 3dq8 s LEU 195 Ca 0.51 -0.37 -0.17 0.00 -1.03 0.00 0.00 54.13 53.08 3dq8 s LEU 195 Cb -0.21 -1.82 -0.10 0.00 0.03 0.00 0.00 46.19 44.10 3dq8 s LEU 195 CO 0.18 -0.05 0.81 -2.16 0.23 0.00 0.00 176.35 175.36 3dq8 s PRO 196 N 1.53 4.07 0.65 1.29 0.04 -1.26 -4.92 135.00 136.40 3dq8 s PRO 196 Ca 0.06 0.82 -0.18 0.00 0.04 0.00 0.00 61.00 61.74 3dq8 s PRO 196 Cb -0.15 -2.34 -0.02 0.00 0.04 0.00 0.00 34.50 32.03 3dq8 s PRO 196 CO -0.00 0.09 1.12 -0.25 0.04 0.00 0.00 177.00 177.99 3dq8 n ASP 197 N -0.48 1.30 -4.59 6.66 9.92 -1.26 -3.69 116.55 124.40 3dq8 n ASP 197 Ca 0.05 0.78 -0.49 0.00 -0.53 0.00 0.00 54.79 54.60 3dq8 n ASP 197 Cb 0.53 -1.47 -0.05 0.00 -0.64 0.00 0.00 41.12 39.50 3dq8 n ASP 197 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 3dq8 n ASN 198 N -1.53 1.65 -1.39 -2.24 3.02 -1.26 -4.84 115.26 108.68 3dq8 n ASN 198 Ca 0.15 1.13 -0.01 0.00 -0.03 0.00 0.00 54.58 55.81 3dq8 n ASN 198 Cb 0.48 -1.24 0.01 0.00 -0.61 0.00 0.00 39.78 38.42 3dq8 n ASN 198 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dq8 n HIS 199 N 1.98 -1.13 -4.06 3.10 1.44 -1.02 -4.75 115.22 110.77 3dq8 n HIS 199 Ca 0.16 -0.34 -0.10 0.00 -2.01 0.00 0.00 57.72 55.43 3dq8 n HIS 199 Cb 0.23 0.17 -0.08 0.00 0.12 0.00 0.00 29.99 30.44 3dq8 n HIS 199 CO 0.00 0.00 0.00 1.52 -2.81 0.00 0.00 176.34 175.05 3dq8 s TYR 200 N -6.99 0.65 -0.08 -1.40 -0.85 -0.72 -0.18 117.35 107.79 3dq8 s TYR 200 Ca 0.04 -0.97 0.05 0.00 -0.52 0.00 0.00 57.07 55.66 3dq8 s TYR 200 Cb -0.01 -0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.16 3dq8 s TYR 200 CO 0.02 -0.77 -0.23 -0.51 -1.52 0.00 0.00 175.55 172.54 3dq8 s LEU 201 N -3.05 2.19 -0.22 -3.49 1.43 0.77 -0.15 118.68 116.16 3dq8 s LEU 201 Ca 0.26 -0.48 -0.15 0.00 -1.03 0.00 0.00 54.13 52.73 3dq8 s LEU 201 Cb 0.03 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.79 3dq8 s LEU 201 CO 0.07 0.22 0.36 -0.44 0.23 0.00 0.00 176.35 176.79 3dq8 s SER 202 N -0.01 6.37 -0.11 2.29 0.01 0.11 -0.92 113.70 121.43 3dq8 s SER 202 Ca -0.07 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.60 3dq8 s SER 202 Cb -0.15 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.85 3dq8 s SER 202 CO 0.05 -0.07 -0.08 -0.31 0.41 0.00 0.00 173.24 173.24 3dq8 s TYR 203 N 1.40 2.92 -0.08 2.43 1.51 0.19 -2.00 117.35 123.72 3dq8 s TYR 203 Ca 0.17 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 3dq8 s TYR 203 Cb -0.15 -1.83 0.01 0.00 -0.11 0.00 0.00 41.96 39.88 3dq8 s TYR 203 CO 0.08 0.05 -0.18 -0.65 -1.11 0.00 0.00 175.55 173.73 3dq8 s GLN 204 N -0.08 2.29 -0.03 -0.62 1.11 -0.47 -1.71 119.66 120.15 3dq8 s GLN 204 Ca 0.00 -0.64 0.02 0.00 0.01 0.00 0.00 55.36 54.75 3dq8 s GLN 204 Cb -0.13 -1.81 0.01 0.00 -1.01 0.00 0.00 33.01 30.06 3dq8 s GLN 204 CO 0.03 0.13 -0.07 -1.12 0.01 0.00 0.00 175.29 174.26 3dq8 s SER 205 N 0.43 1.07 -0.10 5.90 0.01 -1.26 -1.53 113.70 118.23 3dq8 s SER 205 Ca -0.15 -0.16 0.03 0.00 1.31 0.00 0.00 55.95 56.98 3dq8 s SER 205 Cb -0.16 -0.36 0.01 0.00 0.21 0.00 0.00 66.02 65.72 3dq8 s SER 205 CO 0.06 0.02 -0.18 0.00 0.41 0.00 0.00 173.24 173.55 3dq8 s ALA 206 N 0.42 1.79 -0.13 1.44 0.00 0.97 -4.60 121.76 121.65 3dq8 s ALA 206 Ca -0.06 -0.76 -0.02 0.00 0.00 0.00 0.00 51.96 51.12 3dq8 s ALA 206 Cb -0.10 -0.77 -0.02 0.00 0.00 0.00 0.00 23.12 22.22 3dq8 s ALA 206 CO 0.01 0.10 -0.07 -0.51 0.00 0.00 0.00 175.76 175.29 3dq8 s LEU 207 N 0.66 3.11 0.00 0.00 1.43 -1.26 -1.80 118.68 120.82 3dq8 s LEU 207 Ca -0.13 -0.15 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 3dq8 s LEU 207 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 3dq8 s LEU 207 CO 0.03 0.21 0.20 -1.54 0.23 0.00 0.00 176.35 175.48 3dq8 n SER 208 N 3.25 -0.52 -4.14 2.29 3.41 0.18 -4.93 113.62 113.17 3dq8 n SER 208 Ca -0.18 -2.35 -0.24 0.00 -0.26 0.00 0.00 58.87 55.84 3dq8 n SER 208 Cb 0.53 1.15 -0.15 0.00 -0.26 0.00 0.00 64.21 65.47 3dq8 n SER 208 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dq8 s LYS 209 N -2.80 1.41 -0.38 4.33 -0.14 -1.26 -1.21 119.74 119.69 3dq8 s LYS 209 Ca 0.24 -0.58 -0.28 0.00 -1.36 0.00 0.00 55.97 53.99 3dq8 s LYS 209 Cb 0.01 -1.32 0.02 0.00 -1.68 0.00 0.00 37.83 34.86 3dq8 s LYS 209 CO 0.17 0.32 1.06 0.34 -0.76 0.00 0.00 175.35 176.48 3dq8 s ASP 210 N -0.27 6.78 0.64 2.83 -1.08 -1.26 -4.94 116.67 119.37 3dq8 s ASP 210 Ca 0.04 0.75 0.41 0.00 -0.52 0.00 0.00 52.55 53.23 3dq8 s ASP 210 Cb -0.08 -2.53 2.19 0.00 -1.46 0.00 0.00 42.92 41.05 3dq8 s ASP 210 CO -0.00 -1.00 2.30 -0.65 0.52 0.00 0.00 175.17 176.35 3dq8 h PRO 211 N 8.54 0.00 -0.69 4.34 0.11 -2.03 -0.62 132.00 141.65 3dq8 h PRO 211 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 3dq8 h PRO 211 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3dq8 h PRO 211 CO 1.05 0.01 0.00 0.09 -0.21 0.00 0.00 178.00 178.94 3dq8 n ASN 212 N -3.20 3.91 -4.59 -2.05 3.02 -1.26 -4.91 115.26 106.19 3dq8 n ASN 212 Ca -0.02 -2.04 -0.36 0.00 -0.03 0.00 0.00 54.58 52.13 3dq8 n ASN 212 Cb 0.11 -0.47 -0.10 0.00 -0.61 0.00 0.00 39.78 38.70 3dq8 n ASN 212 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 3dq8 s GLU 213 N -1.07 3.92 0.19 3.52 2.56 -0.24 -4.95 118.70 122.63 3dq8 s GLU 213 Ca 0.46 -0.35 0.22 0.00 0.00 0.00 0.00 54.97 55.30 3dq8 s GLU 213 Cb 0.25 -3.37 -0.02 0.00 2.00 0.00 0.00 34.13 32.99 3dq8 s GLU 213 CO 0.31 0.06 1.02 1.63 -0.56 0.00 0.00 175.26 177.72 3dq8 n LYS 214 N 4.21 0.61 -2.05 4.30 4.76 -1.26 -4.91 118.16 123.82 3dq8 n LYS 214 Ca -0.16 0.11 -0.28 0.00 -2.87 0.00 0.00 58.31 55.11 3dq8 n LYS 214 Cb 0.52 -1.81 0.06 0.00 -1.84 0.00 0.00 35.03 31.96 3dq8 n LYS 214 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 3dq8 s ARG 215 N -3.37 2.47 -0.04 1.97 0.52 -1.26 -4.99 118.95 114.25 3dq8 s ARG 215 Ca -0.01 0.13 -0.30 0.00 -0.52 0.00 0.00 55.73 55.03 3dq8 s ARG 215 Cb 0.10 -2.08 -0.03 0.00 0.52 0.00 0.00 34.95 33.46 3dq8 s ARG 215 CO 0.80 -1.18 1.05 0.34 0.02 0.00 0.00 175.30 176.33 3dq8 s ASP 216 N -4.45 7.24 0.36 0.23 2.15 -1.26 -4.96 116.67 115.98 3dq8 s ASP 216 Ca 0.59 1.68 -0.17 0.00 0.43 0.00 0.00 52.55 55.08 3dq8 s ASP 216 Cb -0.11 -2.56 0.06 0.00 -0.30 0.00 0.00 42.92 40.01 3dq8 s ASP 216 CO 0.48 -0.41 0.83 -1.38 -0.17 0.00 0.00 175.17 174.52 3dq8 s HIS 217 N 1.58 0.11 -0.26 -5.34 -3.43 -1.26 -1.65 115.29 105.04 3dq8 s HIS 217 Ca 0.52 -0.75 -0.12 0.00 -0.80 0.00 0.00 55.06 53.90 3dq8 s HIS 217 Cb -0.22 0.82 0.09 0.00 -1.43 0.00 0.00 32.58 31.85 3dq8 s HIS 217 CO 0.23 -1.48 0.61 1.41 -2.00 0.00 0.00 174.74 173.51 3dq8 s MET 218 N -2.27 0.59 -0.21 -0.38 1.75 -0.46 -4.98 119.30 113.34 3dq8 s MET 218 Ca 0.16 1.21 -0.08 0.00 -1.25 0.00 0.00 55.69 55.73 3dq8 s MET 218 Cb -0.05 0.34 -0.04 0.00 2.84 0.00 0.00 34.83 37.92 3dq8 s MET 218 CO 0.11 -0.18 0.09 0.08 -0.65 0.00 0.00 175.02 174.47 3dq8 s VAL 219 N 2.05 4.96 -0.09 10.11 1.01 -0.35 -0.35 120.40 137.73 3dq8 s VAL 219 Ca -0.08 0.03 0.03 0.00 0.00 0.00 0.00 61.98 61.96 3dq8 s VAL 219 Cb -0.08 -3.26 0.01 0.00 0.00 0.00 0.00 36.38 33.04 3dq8 s VAL 219 CO -0.18 0.42 -0.20 -0.22 0.00 0.00 0.00 175.10 174.92 3dq8 s LEU 220 N 0.66 1.95 -0.15 3.92 2.96 0.14 0.47 118.68 128.63 3dq8 s LEU 220 Ca 0.05 -0.49 0.00 0.00 -0.22 0.00 0.00 54.13 53.48 3dq8 s LEU 220 Cb -0.13 -1.24 0.02 0.00 0.50 0.00 0.00 46.19 45.34 3dq8 s LEU 220 CO 0.01 0.11 -0.15 -0.22 -1.32 0.00 0.00 176.35 174.78 3dq8 s LEU 221 N 0.50 1.76 -0.02 -0.68 2.96 -0.74 -1.24 118.68 121.21 3dq8 s LEU 221 Ca -0.16 -0.51 0.07 0.00 -0.22 0.00 0.00 54.13 53.30 3dq8 s LEU 221 Cb -0.17 -1.23 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 3dq8 s LEU 221 CO 0.06 -0.04 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.22 3dq8 s GLU 222 N 1.44 1.79 -0.07 1.98 2.02 -0.76 -0.02 118.70 125.08 3dq8 s GLU 222 Ca 0.05 -0.77 0.05 0.00 0.02 0.00 0.00 54.97 54.31 3dq8 s GLU 222 Cb -0.13 -1.71 -0.00 0.00 0.10 0.00 0.00 34.13 32.39 3dq8 s GLU 222 CO -0.11 0.45 -0.22 -0.06 0.02 0.00 0.00 175.26 175.35 3dq8 s PHE 223 N -0.47 2.20 -0.03 1.61 0.08 -0.58 -1.24 117.98 119.56 3dq8 s PHE 223 Ca 0.07 -0.74 -0.01 0.00 0.12 0.00 0.00 56.93 56.37 3dq8 s PHE 223 Cb -0.09 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 3dq8 s PHE 223 CO -0.00 -0.27 0.04 0.08 -0.10 0.00 0.00 175.22 174.97 3dq8 s VAL 224 N 0.10 -0.07 -0.07 -0.44 1.01 0.88 -1.37 120.40 120.45 3dq8 s VAL 224 Ca -0.09 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.21 3dq8 s VAL 224 Cb -0.15 -0.13 0.02 0.00 0.00 0.00 0.00 36.38 36.13 3dq8 s VAL 224 CO 0.05 0.14 -0.07 -0.89 0.00 0.00 0.00 175.10 174.32 3dq8 s THR 225 N 1.58 0.85 0.37 3.92 2.01 -0.85 -0.80 115.64 122.72 3dq8 s THR 225 Ca -0.03 -0.26 -0.27 0.00 0.31 0.00 0.00 61.69 61.44 3dq8 s THR 225 Cb -0.13 -0.85 -0.09 0.00 0.01 0.00 0.00 72.50 71.45 3dq8 s THR 225 CO -0.03 0.31 1.25 0.00 -0.69 0.00 0.00 174.62 175.46 3dq8 s ALA 226 N 1.14 3.33 0.37 7.40 0.00 -0.43 0.07 121.76 133.62 3dq8 s ALA 226 Ca -0.07 1.14 -0.07 0.00 0.00 0.00 0.00 51.96 52.97 3dq8 s ALA 226 Cb -0.14 -3.44 0.03 0.00 0.00 0.00 0.00 23.12 19.56 3dq8 s ALA 226 CO -0.01 -0.63 0.61 0.00 0.00 0.00 0.00 175.76 175.73 3dq8 n ALA 227 N 0.44 -0.88 0.00 0.00 0.00 0.79 -4.56 120.51 116.29 3dq8 n ALA 227 Ca 0.02 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.96 3dq8 n ALA 227 Cb 0.44 1.21 0.00 0.00 0.00 0.00 0.00 19.45 21.10 3dq8 n ALA 227 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dq8 n GLY 228 N -0.57 0.95 2.80 0.00 0.00 -1.26 -1.76 105.19 105.35 3dq8 n GLY 228 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 3dq8 n GLY 228 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3dq8 s ILE 229 N -2.00 1.37 -2.00 -0.61 1.01 -1.26 -4.81 121.20 112.90 3dq8 s ILE 229 Ca 0.00 -1.94 0.14 0.00 0.00 0.00 0.00 60.65 58.86 3dq8 s ILE 229 Cb 0.00 -2.01 0.40 0.00 0.01 0.00 0.00 42.46 40.86 3dq8 s ILE 229 CO 0.00 -0.71 1.26 0.35 0.00 0.00 0.00 174.94 175.84