#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4x s LEU 2 N 0.00 3.61 0.43 7.52 1.43 -1.26 -5.06 118.68 125.36 3d4x s LEU 2 Ca 0.00 0.11 0.08 0.00 -1.03 0.00 0.00 54.13 53.28 3d4x s LEU 2 Cb 0.00 -1.94 -0.01 0.00 0.03 0.00 0.00 46.19 44.28 3d4x s LEU 2 CO 0.00 0.34 0.45 -0.94 0.23 0.00 0.00 176.35 176.43 3d4x s SER 3 N -1.19 5.22 0.23 2.29 1.04 -1.26 -4.91 113.70 115.11 3d4x s SER 3 Ca 0.16 -0.67 -0.08 0.00 0.48 0.00 0.00 55.95 55.85 3d4x s SER 3 Cb -0.11 -0.53 0.38 0.00 0.10 0.00 0.00 66.02 65.86 3d4x s SER 3 CO 0.06 -0.73 1.68 0.00 0.98 0.00 0.00 173.24 175.23 3d4x h ALA 4 N 0.87 0.80 0.00 5.32 0.00 -1.99 -0.22 119.26 124.04 3d4x h ALA 4 Ca -0.40 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.60 3d4x h ALA 4 Cb 1.27 0.26 -0.01 0.00 0.00 0.00 0.00 17.79 19.31 3d4x h ALA 4 CO 0.53 -0.35 -0.39 0.00 0.00 0.00 0.00 179.25 179.04 3d4x h ALA 5 N 1.58 1.01 -0.06 0.00 0.00 -1.99 -2.50 119.26 117.30 3d4x h ALA 5 Ca 0.37 -0.36 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 3d4x h ALA 5 Cb 0.61 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3d4x h ALA 5 CO -0.50 0.49 -0.31 -0.44 0.00 0.00 0.00 179.25 178.48 3d4x h ASP 6 N 0.00 0.38 -0.85 0.00 3.32 -1.61 -1.26 116.42 116.39 3d4x h ASP 6 Ca -0.00 -0.66 -0.02 0.00 0.02 0.00 0.00 57.03 56.37 3d4x h ASP 6 Cb 0.90 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.30 3d4x h ASP 6 CO 0.05 0.98 0.46 0.11 -1.72 0.00 0.00 179.24 179.12 3d4x h LYS 7 N -0.20 1.19 -0.14 3.56 1.57 -1.12 -1.07 116.57 120.37 3d4x h LYS 7 Ca -0.02 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.55 3d4x h LYS 7 Cb 0.98 -0.23 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3d4x h LYS 7 CO 0.06 0.88 -0.15 0.66 -0.57 0.00 0.00 179.45 180.34 3d4x h SER 8 N 1.19 0.37 -0.66 0.86 4.64 -1.45 -2.27 113.55 116.23 3d4x h SER 8 Ca 0.30 -0.49 0.14 0.00 -0.47 0.00 0.00 61.79 61.27 3d4x h SER 8 Cb 0.04 -0.10 -0.11 0.00 -0.31 0.00 0.00 62.40 61.92 3d4x h SER 8 CO -0.05 0.78 0.01 0.78 -0.87 0.00 0.00 176.83 177.48 3d4x h ASN 9 N -0.04 -0.28 0.68 4.97 -0.26 -1.18 -0.73 115.58 118.75 3d4x h ASN 9 Ca 0.02 0.16 -0.03 0.00 -0.56 0.00 0.00 56.30 55.89 3d4x h ASN 9 Cb 0.68 0.29 0.01 0.00 -1.06 0.00 0.00 38.32 38.23 3d4x h ASN 9 CO 0.04 -0.13 -0.33 0.58 -1.06 0.00 0.00 177.43 176.53 3d4x h VAL 10 N 0.12 0.26 -0.70 2.81 2.07 -1.15 -1.32 116.25 118.34 3d4x h VAL 10 Ca 0.35 -0.17 0.15 0.00 0.82 0.00 0.00 66.70 67.84 3d4x h VAL 10 Cb 0.58 0.30 -0.10 0.00 -1.52 0.00 0.00 31.29 30.55 3d4x h VAL 10 CO -0.56 0.02 0.15 0.11 0.02 0.00 0.00 177.57 177.31 3d4x h LYS 11 N -1.05 0.25 0.03 1.57 1.57 -1.36 0.40 116.57 117.98 3d4x h LYS 11 Ca -0.09 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.68 3d4x h LYS 11 Cb 0.73 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3d4x h LYS 11 CO 0.15 0.16 -0.05 0.00 -0.57 0.00 0.00 179.45 179.15 3d4x h ALA 12 N 1.58 -0.07 -0.83 3.86 0.00 -1.06 0.21 119.26 122.94 3d4x h ALA 12 Ca 0.38 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 3d4x h ALA 12 Cb 0.63 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 3d4x h ALA 12 CO -0.49 -0.55 0.50 0.00 0.00 0.00 0.00 179.25 178.71 3d4x h TRP 14 N 1.15 0.25 -0.45 0.00 2.91 0.25 -2.42 115.95 117.64 3d4x h TRP 14 Ca 0.30 -0.04 -0.01 0.00 1.13 0.00 0.00 58.89 60.27 3d4x h TRP 14 Cb -0.04 -0.07 -0.02 0.00 -0.51 0.00 0.00 29.16 28.52 3d4x h TRP 14 CO -0.00 0.44 0.26 0.78 -1.03 0.00 0.00 178.44 178.88 3d4x h GLY 15 N 0.89 0.66 2.00 2.65 0.00 -0.28 -2.61 103.07 106.38 3d4x h GLY 15 Ca 0.04 -0.29 -0.09 0.00 0.00 0.00 0.00 47.33 46.99 3d4x h GLY 15 CO 0.03 0.28 -0.43 0.50 0.00 0.00 0.00 176.54 176.92 3d4x h LYS 16 N 0.59 0.00 -0.43 4.80 1.79 -1.33 -3.11 116.57 118.88 3d4x h LYS 16 Ca 0.16 0.00 -0.06 0.00 -2.18 0.00 0.00 60.65 58.57 3d4x h LYS 16 Cb 0.02 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 30.66 3d4x h LYS 16 CO -0.03 0.43 0.03 0.82 -1.08 0.00 0.00 179.45 179.62 3d4x h ILE 17 N 0.00 1.26 0.00 1.86 2.04 -1.07 -3.47 117.51 118.13 3d4x h ILE 17 Ca -0.00 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 64.88 3d4x h ILE 17 Cb 0.86 1.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.98 3d4x h ILE 17 CO 0.06 0.34 0.00 0.61 0.00 0.00 0.00 178.15 179.15 3d4x n GLY 18 N -0.42 2.75 0.11 5.37 0.00 -1.07 -1.87 105.19 110.07 3d4x n GLY 18 Ca -0.00 -0.27 0.11 0.00 0.00 0.00 0.00 46.02 45.86 3d4x n GLY 18 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3d4x n SER 19 N 5.22 0.33 -0.75 1.61 3.41 -1.26 -3.65 113.62 118.54 3d4x n SER 19 Ca 0.00 -1.40 0.13 0.00 -0.26 0.00 0.00 58.87 57.34 3d4x n SER 19 Cb 0.00 -0.02 0.30 0.00 -0.26 0.00 0.00 64.21 64.24 3d4x n SER 19 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 3d4x n HIS 20 N -0.60 0.05 -0.33 7.33 8.25 -0.78 -4.41 115.22 124.72 3d4x n HIS 20 Ca 0.16 -0.02 0.11 0.00 -0.26 0.00 0.00 57.72 57.71 3d4x n HIS 20 Cb 0.13 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.53 3d4x n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3d4x h ALA 21 N 4.51 1.54 -0.18 -1.41 0.00 -1.71 -1.32 119.26 120.68 3d4x h ALA 21 Ca 0.00 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3d4x h ALA 21 Cb 0.76 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3d4x h ALA 21 CO 0.00 -0.07 -0.36 0.78 0.00 0.00 0.00 179.25 179.60 3d4x h GLY 22 N 0.71 0.43 0.72 0.00 0.00 -1.84 0.40 103.07 103.48 3d4x h GLY 22 Ca 0.54 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 47.43 3d4x h GLY 22 CO -0.38 0.35 -0.12 0.83 0.00 0.00 0.00 176.54 177.22 3d4x h GLU 23 N 0.34 0.31 -0.32 4.80 5.08 -1.57 -1.76 114.58 121.46 3d4x h GLU 23 Ca 0.04 -0.16 -0.06 0.00 -1.00 0.00 0.00 59.36 58.17 3d4x h GLU 23 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 3d4x h GLU 23 CO 0.06 0.70 -0.07 1.88 -1.00 0.00 0.00 179.01 180.58 3d4x h TYR 24 N -0.06 0.55 -0.46 4.33 0.05 -1.10 -0.36 116.97 119.92 3d4x h TYR 24 Ca 0.02 -0.07 0.04 0.00 0.05 0.00 0.00 58.73 58.77 3d4x h TYR 24 Cb 0.63 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 38.18 3d4x h TYR 24 CO 0.08 0.59 0.23 0.78 -1.05 0.00 0.00 178.16 178.79 3d4x h GLY 25 N 0.89 0.63 1.01 3.88 0.00 -0.04 0.20 103.07 109.64 3d4x h GLY 25 Ca 0.10 -0.16 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 3d4x h GLY 25 CO 0.02 0.11 -0.36 0.00 0.00 0.00 0.00 176.54 176.31 3d4x h ALA 26 N 1.24 0.42 -0.79 3.60 0.00 -0.97 -2.86 119.26 119.90 3d4x h ALA 26 Ca 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 3d4x h ALA 26 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 3d4x h ALA 26 CO -0.14 0.50 0.42 1.49 0.00 0.00 0.00 179.25 181.51 3d4x h GLU 27 N 0.49 1.11 -0.45 0.00 4.81 -1.01 -1.97 114.58 117.55 3d4x h GLU 27 Ca 0.04 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3d4x h GLU 27 Cb 0.94 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 3d4x h GLU 27 CO 0.08 0.82 0.27 0.00 -0.73 0.00 0.00 179.01 179.46 3d4x h ALA 28 N 1.35 0.57 -0.17 2.92 0.00 -0.90 -1.77 119.26 121.26 3d4x h ALA 28 Ca 0.28 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3d4x h ALA 28 Cb 0.05 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3d4x h ALA 28 CO -0.04 0.06 0.04 -0.07 0.00 0.00 0.00 179.25 179.24 3d4x h LEU 29 N 0.60 0.26 -0.69 0.00 3.38 -1.36 -2.14 115.31 115.36 3d4x h LEU 29 Ca 0.16 -0.24 0.11 0.00 0.09 0.00 0.00 57.88 58.00 3d4x h LEU 29 Cb -0.01 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.59 3d4x h LEU 29 CO -0.03 0.43 0.30 -0.08 0.09 0.00 0.00 178.44 179.15 3d4x h GLU 30 N 0.08 0.48 -0.43 1.13 4.81 -1.24 0.59 114.58 120.00 3d4x h GLU 30 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3d4x h GLU 30 Cb 0.27 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.52 3d4x h GLU 30 CO 0.00 0.32 0.27 0.00 -0.73 0.00 0.00 179.01 178.87 3d4x h ARG 31 N 0.50 0.57 -0.06 1.92 3.08 -1.25 -1.43 114.38 117.72 3d4x h ARG 31 Ca 0.35 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.36 3d4x h ARG 31 Cb 0.44 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.36 3d4x h ARG 31 CO -0.31 0.41 0.03 1.79 -1.07 0.00 0.00 179.97 180.81 3d4x h THR 32 N 0.57 1.00 -0.77 2.04 1.35 -0.90 0.11 112.91 116.31 3d4x h THR 32 Ca 0.15 -0.02 0.01 0.00 -0.55 0.00 0.00 66.41 66.01 3d4x h THR 32 Cb -0.03 0.93 -0.04 0.00 -1.73 0.00 0.00 68.15 67.28 3d4x h THR 32 CO -0.03 0.01 0.51 -0.26 -0.25 0.00 0.00 175.52 175.50 3d4x h PHE 33 N 0.07 0.96 0.87 4.73 0.04 -0.67 0.25 116.94 123.19 3d4x h PHE 33 Ca 0.02 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.77 3d4x h PHE 33 Cb -0.00 -0.32 0.01 0.00 2.20 0.00 0.00 35.95 37.83 3d4x h PHE 33 CO -0.08 0.59 -0.42 0.00 -0.60 0.00 0.00 178.31 177.80 3d4x h SER 35 N -1.25 0.78 -2.56 0.00 0.02 -0.84 -3.36 113.55 106.33 3d4x h SER 35 Ca -0.12 -0.47 -0.60 0.00 -0.84 0.00 0.00 61.79 59.76 3d4x h SER 35 Cb 0.90 -0.23 -0.41 0.00 0.14 0.00 0.00 62.40 62.80 3d4x h SER 35 CO 0.20 1.24 -0.67 0.49 -1.14 0.00 0.00 176.83 176.94 3d4x n PHE 36 N -3.93 2.65 0.33 3.45 3.72 0.87 -4.97 117.46 119.58 3d4x n PHE 36 Ca -0.05 -4.08 0.22 0.00 -0.05 0.00 0.00 57.45 53.49 3d4x n PHE 36 Cb 0.68 -0.48 1.18 0.00 -0.94 0.00 0.00 39.48 39.92 3d4x n PHE 36 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3d4x h PRO 37 N 4.81 0.00 0.00 -1.08 0.13 -1.70 -1.16 132.00 133.00 3d4x h PRO 37 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 3d4x h PRO 37 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3d4x h PRO 37 CO 0.71 0.00 0.00 1.79 -0.23 0.00 0.00 178.00 180.27 3d4x h THR 38 N 0.00 0.00 0.00 1.56 1.35 -1.91 -2.49 112.91 111.42 3d4x h THR 38 Ca 0.00 -0.14 -0.01 0.00 -0.55 0.00 0.00 66.41 65.70 3d4x h THR 38 Cb 0.05 1.00 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 3d4x h THR 38 CO 0.00 0.00 -0.07 0.71 -0.25 0.00 0.00 175.52 175.91 3d4x h THR 39 N 0.00 0.20 0.00 6.82 1.35 -1.53 -2.90 112.91 116.85 3d4x h THR 39 Ca 0.00 -0.63 0.00 0.00 -0.55 0.00 0.00 66.41 65.23 3d4x h THR 39 Cb 0.16 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.10 3d4x h THR 39 CO 0.00 0.07 0.00 0.29 -0.25 0.00 0.00 175.52 175.63 3d4x n LYS 40 N -3.22 0.11 0.22 4.72 5.02 -0.94 -2.97 118.16 121.10 3d4x n LYS 40 Ca -0.00 0.38 0.15 0.00 -2.02 0.00 0.00 58.31 56.83 3d4x n LYS 40 Cb 0.31 -1.72 0.65 0.00 -0.02 0.00 0.00 35.03 34.24 3d4x n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3d4x h THR 41 N 0.00 0.00 -0.01 -0.18 1.35 -1.71 -1.80 112.91 110.56 3d4x h THR 41 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 3d4x h THR 41 Cb 0.27 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 3d4x h THR 41 CO 0.00 0.00 -0.41 -1.22 -0.25 0.00 0.00 175.52 173.64 3d4x n TYR 42 N -2.71 0.00 -2.38 4.73 4.01 -1.16 -4.33 117.16 115.33 3d4x n TYR 42 Ca 0.01 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.50 3d4x n TYR 42 Cb 0.24 -0.11 0.01 0.00 -0.31 0.00 0.00 39.34 39.17 3d4x n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 3d4x n PHE 43 N -0.77 3.09 0.29 -0.72 3.72 -0.68 -4.84 117.46 117.56 3d4x n PHE 43 Ca 0.10 -2.85 0.19 0.00 -0.05 0.00 0.00 57.45 54.83 3d4x n PHE 43 Cb 0.37 -0.17 0.84 0.00 -0.94 0.00 0.00 39.48 39.58 3d4x n PHE 43 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 3d4x h PRO 44 N 2.50 0.00 0.00 -1.08 0.13 -1.75 -2.36 132.00 129.43 3d4x h PRO 44 Ca 0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.42 3d4x h PRO 44 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3d4x h PRO 44 CO 0.80 0.00 -0.26 -2.39 -0.23 0.00 0.00 178.00 175.92 3d4x n HIS 45 N -3.10 0.00 -3.27 1.56 1.44 -1.26 -4.89 115.22 105.70 3d4x n HIS 45 Ca -0.00 0.00 -0.38 0.00 -2.01 0.00 0.00 57.72 55.33 3d4x n HIS 45 Cb 0.24 -0.37 -0.06 0.00 0.12 0.00 0.00 29.99 29.92 3d4x n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 3d4x s PHE 46 N -3.00 3.76 -0.28 -1.40 0.40 -0.89 -5.03 117.98 111.54 3d4x s PHE 46 Ca 0.12 1.26 -0.29 0.00 -0.60 0.00 0.00 56.93 57.43 3d4x s PHE 46 Cb 0.18 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 41.20 3d4x s PHE 46 CO 0.62 0.54 1.69 0.34 0.70 0.00 0.00 175.22 179.11 3d4x s ASP 47 N -1.26 6.15 -0.01 1.36 2.15 -1.26 -4.88 116.67 118.91 3d4x s ASP 47 Ca 0.32 1.43 0.17 0.00 0.43 0.00 0.00 52.55 54.90 3d4x s ASP 47 Cb -0.19 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.39 3d4x s ASP 47 CO 0.19 -1.48 1.41 0.18 -0.17 0.00 0.00 175.17 175.30 3d4x n LEU 48 N 9.33 3.51 -4.78 -1.34 4.77 -1.26 -4.47 117.00 122.75 3d4x n LEU 48 Ca 0.21 -2.03 -0.33 0.00 -0.03 0.00 0.00 56.01 53.83 3d4x n LEU 48 Cb 0.46 -0.37 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 3d4x n LEU 48 CO 0.67 0.86 0.73 -0.94 -1.33 0.00 0.00 177.39 177.38 3d4x s SER 49 N -1.01 5.46 0.24 -1.43 1.04 -1.26 -4.93 113.70 111.80 3d4x s SER 49 Ca 0.37 1.94 -0.31 0.00 0.48 0.00 0.00 55.95 58.43 3d4x s SER 49 Cb 0.20 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.63 3d4x s SER 49 CO 0.25 -1.39 1.38 1.57 0.98 0.00 0.00 173.24 176.03 3d4x n HIS 50 N -2.12 2.10 -1.09 5.02 -0.00 -1.26 -2.00 115.22 115.86 3d4x n HIS 50 Ca 0.10 0.46 -0.03 0.00 0.46 0.00 0.00 57.72 58.70 3d4x n HIS 50 Cb 0.52 -2.44 -0.01 0.00 -0.12 0.00 0.00 29.99 27.93 3d4x n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 3d4x n GLY 51 N 2.10 0.54 3.77 1.57 0.00 -1.26 -4.99 105.19 106.93 3d4x n GLY 51 Ca 0.12 -0.17 -0.36 0.00 0.00 0.00 0.00 46.02 45.60 3d4x n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d4x s SER 52 N -2.28 5.97 0.29 1.61 1.04 -0.85 -4.94 113.70 114.54 3d4x s SER 52 Ca 0.00 2.27 0.15 0.00 0.48 0.00 0.00 55.95 58.86 3d4x s SER 52 Cb 0.00 -2.60 0.25 0.00 0.10 0.00 0.00 66.02 63.77 3d4x s SER 52 CO 0.00 -1.06 1.53 0.00 0.98 0.00 0.00 173.24 174.69 3d4x h ALA 53 N 1.71 0.74 -0.48 5.32 0.00 -1.90 -2.57 119.26 122.08 3d4x h ALA 53 Ca -0.50 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 53.91 3d4x h ALA 53 Cb 1.26 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.94 3d4x h ALA 53 CO 0.59 0.66 0.21 0.37 0.00 0.00 0.00 179.25 181.08 3d4x h GLN 54 N 0.00 0.70 -0.61 0.00 4.15 -1.92 0.31 115.11 117.74 3d4x h GLN 54 Ca -0.01 -0.12 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 3d4x h GLN 54 Cb 1.26 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 28.81 3d4x h GLN 54 CO 0.07 0.61 0.11 0.28 -1.93 0.00 0.00 178.83 177.97 3d4x h VAL 55 N 0.63 1.25 -0.45 2.39 2.07 -1.75 -1.55 116.25 118.84 3d4x h VAL 55 Ca 0.16 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.59 3d4x h VAL 55 Cb 0.16 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 3d4x h VAL 55 CO -0.02 0.36 -0.22 0.11 0.02 0.00 0.00 177.57 177.82 3d4x h LYS 56 N 0.93 0.95 0.34 1.57 1.57 -1.15 0.34 116.57 121.12 3d4x h LYS 56 Ca 0.19 -0.41 -0.02 0.00 -1.87 0.00 0.00 60.65 58.54 3d4x h LYS 56 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.68 3d4x h LYS 56 CO 0.01 1.08 -0.16 0.00 -0.57 0.00 0.00 179.45 179.80 3d4x h ALA 57 N 0.85 -0.46 -0.63 3.86 0.00 -0.32 -2.86 119.26 119.69 3d4x h ALA 57 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.92 3d4x h ALA 57 Cb 0.79 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.73 3d4x h ALA 57 CO 0.07 -0.75 0.42 1.25 0.00 0.00 0.00 179.25 180.24 3d4x h HIS 58 N -0.47 0.79 -0.23 0.00 -0.00 -1.22 -2.49 115.15 111.52 3d4x h HIS 58 Ca -0.05 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.32 3d4x h HIS 58 Cb 0.36 -0.27 -0.01 0.00 -0.00 0.00 0.00 27.41 27.49 3d4x h HIS 58 CO -0.05 0.49 0.03 0.78 -0.00 0.00 0.00 177.93 179.18 3d4x h GLY 59 N 0.84 0.35 1.03 5.26 0.00 -0.76 -1.43 103.07 108.36 3d4x h GLY 59 Ca 0.24 -0.17 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 3d4x h GLY 59 CO -0.05 0.16 -0.09 -1.61 0.00 0.00 0.00 176.54 174.95 3d4x h GLN 60 N 0.32 0.90 -0.95 4.80 5.75 -1.23 -1.65 115.11 123.05 3d4x h GLN 60 Ca 0.08 -0.33 -0.00 0.00 -0.15 0.00 0.00 58.65 58.25 3d4x h GLN 60 Cb 0.17 -0.06 -0.05 0.00 1.07 0.00 0.00 27.48 28.61 3d4x h GLN 60 CO -0.00 0.98 0.59 0.87 -2.65 0.00 0.00 178.83 178.62 3d4x h LYS 61 N 0.75 1.28 -0.21 1.69 1.57 -1.12 0.13 116.57 120.65 3d4x h LYS 61 Ca 0.12 -0.10 -0.08 0.00 -1.87 0.00 0.00 60.65 58.72 3d4x h LYS 61 Cb 0.63 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3d4x h LYS 61 CO 0.04 0.88 -0.18 0.28 -0.57 0.00 0.00 179.45 179.90 3d4x h VAL 62 N 1.30 1.32 -0.51 0.50 2.07 -1.25 -2.34 116.25 117.35 3d4x h VAL 62 Ca 0.34 -1.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 3d4x h VAL 62 Cb -0.09 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3d4x h VAL 62 CO -0.07 0.40 0.29 0.00 0.02 0.00 0.00 177.57 178.22 3d4x h ALA 63 N 0.67 0.65 -0.69 1.67 0.00 -1.11 -1.84 119.26 118.60 3d4x h ALA 63 Ca 0.04 -0.08 0.06 0.00 0.00 0.00 0.00 54.91 54.93 3d4x h ALA 63 Cb 0.71 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 3d4x h ALA 63 CO 0.05 0.16 0.39 -0.44 0.00 0.00 0.00 179.25 179.40 3d4x h ASP 64 N 0.68 0.57 -0.81 0.00 3.32 -0.77 0.51 116.42 119.92 3d4x h ASP 64 Ca 0.18 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.27 3d4x h ASP 64 Cb 0.02 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 39.45 3d4x h ASP 64 CO -0.03 0.36 0.52 0.00 -1.72 0.00 0.00 179.24 178.37 3d4x h ALA 65 N 1.36 1.38 0.01 3.45 0.00 -1.19 -0.65 119.26 123.62 3d4x h ALA 65 Ca 0.31 -0.07 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 3d4x h ALA 65 Cb 0.21 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d4x h ALA 65 CO -0.19 0.56 -0.91 -0.07 0.00 0.00 0.00 179.25 178.64 3d4x h LEU 66 N 1.11 0.34 -0.34 0.00 3.38 -0.64 -1.51 115.31 117.64 3d4x h LEU 66 Ca 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d4x h LEU 66 Cb -0.10 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3d4x h LEU 66 CO -0.06 1.08 0.18 0.74 0.09 0.00 0.00 178.44 180.47 3d4x h THR 67 N 0.14 1.14 -0.55 0.22 2.02 -0.62 -1.50 112.91 113.77 3d4x h THR 67 Ca -0.06 -0.39 0.10 0.00 0.77 0.00 0.00 66.41 66.84 3d4x h THR 67 Cb 1.54 0.78 -0.11 0.00 -1.74 0.00 0.00 68.15 68.62 3d4x h THR 67 CO 0.14 0.15 -0.28 -0.61 0.37 0.00 0.00 175.52 175.29 3d4x h GLN 68 N 0.42 -0.14 -0.07 6.66 4.15 -0.98 -2.71 115.11 122.44 3d4x h GLN 68 Ca 0.12 0.01 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 3d4x h GLN 68 Cb 0.08 0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.79 3d4x h GLN 68 CO -0.02 -0.09 -0.29 0.00 -1.93 0.00 0.00 178.83 176.50 3d4x h ALA 69 N 1.11 1.38 -0.44 3.38 0.00 -0.81 -2.26 119.26 121.61 3d4x h ALA 69 Ca 0.24 -0.30 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 3d4x h ALA 69 Cb 0.53 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3d4x h ALA 69 CO -0.64 0.44 -0.06 0.28 0.00 0.00 0.00 179.25 179.28 3d4x h VAL 70 N 0.12 1.25 0.00 0.00 2.07 -0.99 -2.80 116.25 115.90 3d4x h VAL 70 Ca 0.02 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3d4x h VAL 70 Cb 0.59 0.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3d4x h VAL 70 CO 0.04 0.38 0.00 0.00 0.02 0.00 0.00 177.57 178.01 3d4x h ALA 71 N 1.22 1.00 -1.04 1.67 0.00 -1.11 -3.34 119.26 117.66 3d4x h ALA 71 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 54.91 54.59 3d4x h ALA 71 Cb 0.52 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.90 3d4x h ALA 71 CO 0.03 0.00 -0.97 0.72 0.00 0.00 0.00 179.25 179.03 3d4x n HIS 72 N -2.98 2.16 0.25 0.00 -0.00 -1.07 -4.88 115.22 108.70 3d4x n HIS 72 Ca 0.01 -2.71 0.13 0.00 -0.00 0.00 0.00 57.72 55.15 3d4x n HIS 72 Cb 0.30 -0.25 0.64 0.00 -0.00 0.00 0.00 29.99 30.68 3d4x n HIS 72 CO 0.00 0.00 0.00 0.52 -0.00 0.00 0.00 176.34 176.86 3d4x h MET 73 N 2.67 0.00 0.00 -0.41 2.86 -1.63 -2.64 114.93 115.78 3d4x h MET 73 Ca 0.10 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.74 3d4x h MET 73 Cb 1.16 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.82 3d4x h MET 73 CO 0.60 0.14 0.00 -0.44 1.06 0.00 0.00 176.91 178.28 3d4x h ASP 74 N 0.00 0.00 -1.09 1.22 3.32 -1.89 -3.37 116.42 114.61 3d4x h ASP 74 Ca -0.00 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.66 3d4x h ASP 74 Cb 0.51 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.78 3d4x h ASP 74 CO 0.02 0.00 -0.84 -0.67 -1.72 0.00 0.00 179.24 176.03 3d4x n ASP 75 N -3.03 -0.94 -0.36 6.45 -0.08 -1.01 -4.97 116.55 112.60 3d4x n ASP 75 Ca 0.02 -3.14 0.00 0.00 -1.51 0.00 0.00 54.79 50.17 3d4x n ASP 75 Cb 0.41 0.51 0.15 0.00 2.34 0.00 0.00 41.12 44.53 3d4x n ASP 75 CO 0.00 0.00 0.00 -0.07 0.12 0.00 0.00 177.20 177.25 3d4x h LEU 76 N 3.54 1.08 -1.39 -2.67 3.38 -1.68 -2.61 115.31 114.96 3d4x h LEU 76 Ca -0.01 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.97 3d4x h LEU 76 Cb 0.99 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.45 3d4x h LEU 76 CO 0.37 0.75 0.43 -0.65 0.09 0.00 0.00 178.44 179.43 3d4x h PRO 77 N 1.26 0.78 0.21 1.13 0.11 -1.93 -0.68 132.00 132.88 3d4x h PRO 77 Ca 0.39 -0.05 -0.32 0.00 0.11 0.00 0.00 66.00 66.13 3d4x h PRO 77 Cb -0.02 -0.18 0.02 0.00 0.11 0.00 0.00 31.00 30.94 3d4x h PRO 77 CO -0.11 0.52 -1.51 0.00 -0.21 0.00 0.00 178.00 176.68 3d4x h THR 78 N 0.81 1.16 -0.97 -1.15 1.03 -1.93 -2.76 112.91 109.10 3d4x h THR 78 Ca 0.25 -2.59 0.18 0.00 -0.01 0.00 0.00 66.41 64.24 3d4x h THR 78 Cb 0.02 2.94 -0.09 0.00 -1.07 0.00 0.00 68.15 69.95 3d4x h THR 78 CO -0.07 0.81 0.61 0.00 -0.01 0.00 0.00 175.52 176.86 3d4x h ALA 79 N 0.11 1.78 -0.46 0.00 0.00 -1.41 -2.93 119.26 116.36 3d4x h ALA 79 Ca -0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.68 3d4x h ALA 79 Cb 2.07 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.76 3d4x h ALA 79 CO 0.21 -0.10 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 3d4x n MET 80 N -4.66 3.32 -0.30 0.00 2.81 -0.27 -4.70 117.12 113.32 3d4x n MET 80 Ca 0.21 -2.66 0.03 0.00 -1.81 0.00 0.00 57.70 53.47 3d4x n MET 80 Cb 0.55 -1.72 0.17 0.00 -0.71 0.00 0.00 33.22 31.52 3d4x n MET 80 CO 0.00 0.00 0.00 0.66 1.51 0.00 0.00 175.97 178.14 3d4x h SER 81 N 2.93 0.71 -0.29 7.83 4.64 -1.29 -0.75 113.55 127.33 3d4x h SER 81 Ca 0.00 0.05 -0.16 0.00 -0.47 0.00 0.00 61.79 61.21 3d4x h SER 81 Cb 1.27 -0.09 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 3d4x h SER 81 CO 0.17 0.40 -0.41 0.00 -0.87 0.00 0.00 176.83 176.13 3d4x h ALA 82 N 1.46 0.63 -0.02 5.18 0.00 -1.85 -1.81 119.26 122.86 3d4x h ALA 82 Ca 0.41 -0.46 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 3d4x h ALA 82 Cb 0.37 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 3d4x h ALA 82 CO -0.25 0.67 -0.53 -0.07 0.00 0.00 0.00 179.25 179.08 3d4x h LEU 83 N 0.69 0.05 -0.25 0.00 3.38 -1.81 -1.50 115.31 115.87 3d4x h LEU 83 Ca 0.05 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 3d4x h LEU 83 Cb 0.98 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.71 3d4x h LEU 83 CO 0.09 0.57 -0.25 -1.28 0.09 0.00 0.00 178.44 177.66 3d4x h SER 84 N 0.04 0.65 -0.29 -0.43 0.87 -0.96 0.44 113.55 113.87 3d4x h SER 84 Ca -0.00 -0.48 -0.02 0.00 -1.23 0.00 0.00 61.79 60.06 3d4x h SER 84 Cb 0.95 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.71 3d4x h SER 84 CO 0.07 0.99 0.11 0.44 -0.53 0.00 0.00 176.83 177.91 3d4x h ASP 85 N 0.32 0.40 -0.60 6.23 3.32 -1.30 -2.32 116.42 122.47 3d4x h ASP 85 Ca 0.04 -0.18 0.08 0.00 0.02 0.00 0.00 57.03 56.99 3d4x h ASP 85 Cb 0.81 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 40.19 3d4x h ASP 85 CO 0.06 0.47 0.26 0.25 -1.72 0.00 0.00 179.24 178.56 3d4x h LEU 86 N 0.31 0.31 0.18 1.55 5.85 -1.09 0.14 115.31 122.56 3d4x h LEU 86 Ca 0.09 0.06 -0.31 0.00 0.84 0.00 0.00 57.88 58.56 3d4x h LEU 86 Cb 0.20 0.02 0.02 0.00 0.37 0.00 0.00 40.66 41.26 3d4x h LEU 86 CO -0.01 0.19 -1.45 0.45 -0.34 0.00 0.00 178.44 177.29 3d4x h HIS 87 N 0.47 0.69 0.04 1.25 3.86 -0.87 -1.57 115.15 119.03 3d4x h HIS 87 Ca 0.29 -0.50 -0.14 0.00 -1.16 0.00 0.00 60.37 58.86 3d4x h HIS 87 Cb 0.31 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.75 3d4x h HIS 87 CO -0.14 1.45 -0.70 0.00 0.86 0.00 0.00 177.93 179.40 3d4x h ALA 88 N 0.36 0.08 0.14 2.45 0.00 -1.42 0.36 119.26 121.23 3d4x h ALA 88 Ca -0.23 -0.82 -0.31 0.00 0.00 0.00 0.00 54.91 53.56 3d4x h ALA 88 Cb 2.07 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 20.15 3d4x h ALA 88 CO 0.22 0.39 -1.51 1.88 0.00 0.00 0.00 179.25 180.22 3d4x h TYR 89 N -0.77 0.53 0.01 0.00 0.05 -0.89 -3.29 116.97 112.59 3d4x h TYR 89 Ca -0.16 -0.38 -0.40 0.00 0.05 0.00 0.00 58.73 57.83 3d4x h TYR 89 Cb 1.32 -0.02 -0.06 0.00 1.01 0.00 0.00 36.73 38.98 3d4x h TYR 89 CO 0.19 1.41 -2.22 1.17 -1.05 0.00 0.00 178.16 177.67 3d4x n LYS 90 N -3.50 0.60 -0.02 4.88 4.81 -1.12 -4.66 118.16 119.16 3d4x n LYS 90 Ca -0.16 0.32 -0.00 0.00 -0.87 0.00 0.00 58.31 57.59 3d4x n LYS 90 Cb 1.05 -1.57 -0.13 0.00 0.02 0.00 0.00 35.03 34.41 3d4x n LYS 90 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 3d4x n LEU 91 N -4.11 0.38 -3.61 3.14 4.77 -0.61 -5.02 117.00 111.94 3d4x n LEU 91 Ca -0.47 0.17 -0.23 0.00 -0.03 0.00 0.00 56.01 55.45 3d4x n LEU 91 Cb 0.87 0.18 0.04 0.00 -2.33 0.00 0.00 43.42 42.18 3d4x n LEU 91 CO 0.12 0.21 -0.05 0.54 -1.33 0.00 0.00 177.39 176.88 3d4x n ARG 92 N -2.68 -3.57 -2.73 3.23 1.74 0.04 -4.92 116.66 107.76 3d4x n ARG 92 Ca -0.15 0.63 -0.42 0.00 -0.77 0.00 0.00 57.85 57.13 3d4x n ARG 92 Cb 0.87 -5.04 -0.03 0.00 -1.02 0.00 0.00 32.46 27.24 3d4x n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3d4x s VAL 93 N -3.57 4.76 0.17 1.55 1.01 -0.72 -4.97 120.40 118.63 3d4x s VAL 93 Ca 0.20 1.93 -0.32 0.00 0.00 0.00 0.00 61.98 63.79 3d4x s VAL 93 Cb -0.05 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.95 3d4x s VAL 93 CO 0.81 -0.07 1.68 -0.62 0.00 0.00 0.00 175.10 176.90 3d4x s ASP 94 N 1.16 6.47 0.33 3.32 -1.08 -1.26 -4.89 116.67 120.72 3d4x s ASP 94 Ca 0.44 2.74 0.11 0.00 -0.52 0.00 0.00 52.55 55.31 3d4x s ASP 94 Cb -0.16 -2.59 1.00 0.00 -1.46 0.00 0.00 42.92 39.71 3d4x s ASP 94 CO 0.12 -0.92 1.51 -2.65 0.52 0.00 0.00 175.17 173.75 3d4x n PRO 95 N 4.32 -0.07 0.14 4.34 -0.02 -1.26 -1.72 135.00 140.73 3d4x n PRO 95 Ca 0.15 1.38 0.17 0.00 -2.02 0.00 0.00 63.50 63.19 3d4x n PRO 95 Cb 0.37 -2.33 0.75 0.00 -0.02 0.00 0.00 33.50 32.27 3d4x n PRO 95 CO 0.00 0.00 0.00 -0.39 1.98 0.00 0.00 175.50 177.09 3d4x h VAL 96 N 0.00 0.63 0.00 -1.45 -1.51 -2.02 -0.68 116.25 111.21 3d4x h VAL 96 Ca 0.69 0.00 -0.05 0.00 -1.23 0.00 0.00 66.70 66.11 3d4x h VAL 96 Cb 1.66 0.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.63 3d4x h VAL 96 CO -0.82 0.00 -0.24 0.78 -1.23 0.00 0.00 177.57 176.05 3d4x h ASN 97 N 0.00 0.00 0.73 4.19 2.35 -1.71 -2.55 115.58 118.60 3d4x h ASN 97 Ca 0.14 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.83 3d4x h ASN 97 Cb 0.63 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3d4x h ASN 97 CO -0.00 0.24 -0.25 -0.26 -1.65 0.00 0.00 177.43 175.51 3d4x h PHE 98 N 0.00 0.00 -0.10 1.19 0.04 -1.28 -2.62 116.94 114.17 3d4x h PHE 98 Ca -0.00 0.00 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 3d4x h PHE 98 Cb 0.45 0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.60 3d4x h PHE 98 CO 0.00 0.25 -0.72 0.87 -0.60 0.00 0.00 178.31 178.11 3d4x h LYS 99 N 0.00 0.49 0.18 1.51 1.57 -1.56 -1.52 116.57 117.24 3d4x h LYS 99 Ca -0.00 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 3d4x h LYS 99 Cb 0.68 0.08 0.00 0.00 0.08 0.00 0.00 32.23 33.07 3d4x h LYS 99 CO 0.03 1.02 -0.09 0.74 -0.57 0.00 0.00 179.45 180.59 3d4x h PHE 100 N 0.34 -0.22 0.37 -1.35 0.04 -1.44 -1.73 116.94 112.95 3d4x h PHE 100 Ca -0.03 -0.01 -0.02 0.00 2.80 0.00 0.00 57.97 60.72 3d4x h PHE 100 Cb 1.30 0.07 0.00 0.00 2.20 0.00 0.00 35.95 39.53 3d4x h PHE 100 CO 0.05 -0.04 -0.18 1.25 -0.60 0.00 0.00 178.31 178.80 3d4x h LEU 101 N -0.37 -0.42 -0.75 1.54 5.85 -1.53 -2.37 115.31 117.25 3d4x h LEU 101 Ca -0.02 -0.02 0.17 0.00 0.84 0.00 0.00 57.88 58.85 3d4x h LEU 101 Cb 0.29 0.11 -0.12 0.00 0.37 0.00 0.00 40.66 41.31 3d4x h LEU 101 CO 0.04 -0.26 0.15 0.28 -0.34 0.00 0.00 178.44 178.30 3d4x h SER 102 N -0.55 -0.06 -0.38 1.25 0.02 -1.33 -0.07 113.55 112.43 3d4x h SER 102 Ca -0.05 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.10 3d4x h SER 102 Cb 0.41 0.23 -0.04 0.00 0.14 0.00 0.00 62.40 63.15 3d4x h SER 102 CO 0.08 -0.08 0.14 -0.74 -1.14 0.00 0.00 176.83 175.10 3d4x h HIS 103 N 0.23 0.26 0.00 3.45 -0.00 -1.20 -2.69 115.15 115.20 3d4x h HIS 103 Ca 0.43 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.74 3d4x h HIS 103 Cb 0.76 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 28.10 3d4x h HIS 103 CO -0.29 0.11 -0.37 0.00 -0.00 0.00 0.00 177.93 177.37 3d4x h LEU 105 N 0.00 0.62 -0.37 0.00 3.38 -0.94 -0.80 115.31 117.20 3d4x h LEU 105 Ca -0.00 -0.20 -0.13 0.00 0.09 0.00 0.00 57.88 57.63 3d4x h LEU 105 Cb 0.86 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 3d4x h LEU 105 CO 0.05 0.82 -0.27 -0.07 0.09 0.00 0.00 178.44 179.06 3d4x h LEU 106 N 0.55 0.87 -0.22 1.67 3.38 -1.16 -1.56 115.31 118.83 3d4x h LEU 106 Ca 0.08 -0.44 -0.00 0.00 0.09 0.00 0.00 57.88 57.61 3d4x h LEU 106 Cb 0.66 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3d4x h LEU 106 CO 0.05 1.13 0.12 0.58 0.09 0.00 0.00 178.44 180.41 3d4x h VAL 107 N 0.63 1.12 -0.52 1.22 2.07 -1.29 0.15 116.25 119.62 3d4x h VAL 107 Ca 0.07 -0.31 0.05 0.00 0.82 0.00 0.00 66.70 67.33 3d4x h VAL 107 Cb 0.84 0.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 3d4x h VAL 107 CO 0.07 0.11 0.25 0.74 0.02 0.00 0.00 177.57 178.77 3d4x h THR 108 N 0.25 0.93 -0.31 2.57 2.02 -1.12 -1.28 112.91 115.97 3d4x h THR 108 Ca 0.08 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.06 3d4x h THR 108 Cb 0.07 0.40 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3d4x h THR 108 CO -0.01 0.09 0.07 -0.07 0.37 0.00 0.00 175.52 175.96 3d4x h LEU 109 N 0.49 0.48 -0.56 2.58 3.38 -0.97 -2.80 115.31 117.90 3d4x h LEU 109 Ca 0.23 -0.24 0.08 0.00 0.09 0.00 0.00 57.88 58.04 3d4x h LEU 109 Cb 0.17 -0.13 -0.06 0.00 0.09 0.00 0.00 40.66 40.72 3d4x h LEU 109 CO -0.18 0.60 0.22 0.00 0.09 0.00 0.00 178.44 179.17 3d4x h ALA 110 N 0.90 0.71 -0.51 1.53 0.00 -0.48 -0.45 119.26 120.96 3d4x h ALA 110 Ca 0.10 0.07 0.08 0.00 0.00 0.00 0.00 54.91 55.16 3d4x h ALA 110 Cb 0.31 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3d4x h ALA 110 CO 0.00 -0.18 0.13 0.00 0.00 0.00 0.00 179.25 179.20 3d4x n HIS 112 N -5.07 0.85 -3.18 0.00 -0.00 -1.06 -4.63 115.22 102.13 3d4x n HIS 112 Ca 0.06 0.27 -0.21 0.00 -0.00 0.00 0.00 57.72 57.84 3d4x n HIS 112 Cb 0.24 -1.00 -0.05 0.00 -0.00 0.00 0.00 29.99 29.18 3d4x n HIS 112 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 3d4x n HIS 113 N -2.77 0.56 -0.35 4.41 -0.00 -0.20 -4.97 115.22 111.90 3d4x n HIS 113 Ca -0.08 -3.77 -0.01 0.00 -0.00 0.00 0.00 57.72 53.86 3d4x n HIS 113 Cb 0.76 -0.41 0.12 0.00 -0.00 0.00 0.00 29.99 30.45 3d4x n HIS 113 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 3d4x h PRO 114 N 3.40 1.17 -0.20 -0.41 0.13 -1.77 -1.76 132.00 132.57 3d4x h PRO 114 Ca 0.10 -0.07 -0.04 0.00 -0.87 0.00 0.00 66.00 65.12 3d4x h PRO 114 Cb 0.88 -0.26 -0.01 0.00 0.13 0.00 0.00 31.00 31.73 3d4x h PRO 114 CO 0.54 0.78 -0.06 0.00 -0.23 0.00 0.00 178.00 179.02 3d4x h ALA 115 N 1.37 1.53 0.03 -0.56 0.00 -1.93 -2.92 119.26 116.78 3d4x h ALA 115 Ca 0.36 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.86 3d4x h ALA 115 Cb -0.05 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3d4x h ALA 115 CO -0.10 0.34 -1.14 0.93 0.00 0.00 0.00 179.25 179.27 3d4x h GLU 116 N 0.29 0.06 -3.32 0.00 3.07 -1.90 -3.40 114.58 109.38 3d4x h GLU 116 Ca 0.06 -0.11 -0.70 0.00 -0.50 0.00 0.00 59.36 58.12 3d4x h GLU 116 Cb 0.30 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.23 3d4x h GLU 116 CO 0.01 1.00 3.32 0.34 -1.40 0.00 0.00 179.01 182.28 3d4x n PHE 117 N -3.36 2.84 -1.83 4.33 7.35 -0.69 -4.75 117.46 121.35 3d4x n PHE 117 Ca -0.04 -3.00 -0.30 0.00 -0.76 0.00 0.00 57.45 53.34 3d4x n PHE 117 Cb 0.97 -2.40 0.04 0.00 0.35 0.00 0.00 39.48 38.44 3d4x n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d4x s THR 118 N 1.98 3.81 0.29 -2.13 -4.23 -1.26 -4.79 115.64 109.31 3d4x s THR 118 Ca 0.58 0.59 0.05 0.00 -1.18 0.00 0.00 61.69 61.73 3d4x s THR 118 Cb 0.16 -3.54 0.29 0.00 1.34 0.00 0.00 72.50 70.75 3d4x s THR 118 CO -0.07 -0.77 1.69 -0.65 -0.54 0.00 0.00 174.62 174.28 3d4x h PRO 119 N -0.61 0.38 -0.02 3.99 0.11 -1.98 0.19 132.00 134.06 3d4x h PRO 119 Ca -0.45 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d4x h PRO 119 Cb 1.23 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 3d4x h PRO 119 CO 0.62 0.25 0.00 0.00 -0.21 0.00 0.00 178.00 178.67 3d4x h ALA 120 N 1.72 0.03 -0.82 -0.75 0.00 -1.96 -2.41 119.26 115.08 3d4x h ALA 120 Ca 0.57 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 55.30 3d4x h ALA 120 Cb 1.11 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.85 3d4x h ALA 120 CO -0.54 -0.31 0.43 0.28 0.00 0.00 0.00 179.25 179.11 3d4x h VAL 121 N -0.26 1.25 -0.35 0.00 2.07 -1.76 -2.36 116.25 114.83 3d4x h VAL 121 Ca 0.01 -0.63 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3d4x h VAL 121 Cb 0.32 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.19 3d4x h VAL 121 CO 0.00 0.28 -0.09 -0.74 0.02 0.00 0.00 177.57 177.04 3d4x h HIS 122 N 1.14 -0.18 0.17 1.57 6.17 -0.91 -0.04 115.15 123.07 3d4x h HIS 122 Ca 0.29 0.03 0.01 0.00 0.71 0.00 0.00 60.37 61.41 3d4x h HIS 122 Cb 0.05 0.14 -0.04 0.00 2.52 0.00 0.00 27.41 30.08 3d4x h HIS 122 CO 0.01 -0.15 -0.40 0.00 0.71 0.00 0.00 177.93 178.10 3d4x h ALA 123 N 1.35 -0.74 -0.62 5.26 0.00 -1.25 -1.87 119.26 121.40 3d4x h ALA 123 Ca 0.17 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.08 3d4x h ALA 123 Cb 0.26 0.65 -0.07 0.00 0.00 0.00 0.00 17.79 18.63 3d4x h ALA 123 CO -0.36 -0.97 0.27 0.77 0.00 0.00 0.00 179.25 178.95 3d4x h SER 124 N -0.67 0.31 -0.45 0.00 0.02 -1.09 -1.00 113.55 110.68 3d4x h SER 124 Ca 0.01 0.06 -0.07 0.00 -0.84 0.00 0.00 61.79 60.96 3d4x h SER 124 Cb 0.67 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.22 3d4x h SER 124 CO -0.20 0.19 0.01 -0.07 -1.14 0.00 0.00 176.83 175.62 3d4x h LEU 125 N 0.48 0.76 0.01 5.07 3.38 -0.97 0.97 115.31 125.02 3d4x h LEU 125 Ca 0.30 -0.30 0.03 0.00 0.09 0.00 0.00 57.88 58.00 3d4x h LEU 125 Cb 0.33 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.83 3d4x h LEU 125 CO -0.27 0.88 -0.27 -0.78 0.09 0.00 0.00 178.44 178.09 3d4x h ASP 126 N 0.63 -0.79 -0.72 -0.43 3.58 -1.07 0.19 116.42 117.81 3d4x h ASP 126 Ca 0.13 0.10 0.14 0.00 0.42 0.00 0.00 57.03 57.82 3d4x h ASP 126 Cb 0.48 0.32 -0.10 0.00 1.72 0.00 0.00 39.33 41.75 3d4x h ASP 126 CO 0.02 -0.34 0.23 0.11 -2.88 0.00 0.00 179.24 176.39 3d4x h LYS 127 N -0.42 0.35 0.02 0.28 1.57 -1.08 0.14 116.57 117.43 3d4x h LYS 127 Ca 0.06 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3d4x h LYS 127 Cb 0.49 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3d4x h LYS 127 CO -0.22 0.23 -0.01 0.35 -0.57 0.00 0.00 179.45 179.23 3d4x h PHE 128 N 0.36 -0.02 -0.15 -1.35 3.57 -0.21 0.04 116.94 119.18 3d4x h PHE 128 Ca 0.39 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.83 3d4x h PHE 128 Cb 0.62 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3d4x h PHE 128 CO -0.21 0.20 -0.18 0.74 -2.23 0.00 0.00 178.31 176.63 3d4x h PHE 129 N -0.25 0.27 -0.34 0.41 0.04 -0.50 -1.97 116.94 114.61 3d4x h PHE 129 Ca -0.00 -0.04 -0.14 0.00 2.80 0.00 0.00 57.97 60.59 3d4x h PHE 129 Cb 0.23 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 3d4x h PHE 129 CO -0.00 0.43 -0.32 1.03 -0.60 0.00 0.00 178.31 178.85 3d4x h SER 130 N 0.24 0.87 -0.14 2.17 0.87 -0.58 -2.09 113.55 114.89 3d4x h SER 130 Ca 0.04 -0.47 0.00 0.00 -1.23 0.00 0.00 61.79 60.14 3d4x h SER 130 Cb 0.46 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 3d4x h SER 130 CO 0.03 1.15 0.09 0.00 -0.53 0.00 0.00 176.83 177.57 3d4x h ALA 131 N 0.74 0.18 -0.94 6.23 0.00 -0.56 -2.65 119.26 122.26 3d4x h ALA 131 Ca 0.06 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.04 3d4x h ALA 131 Cb 0.90 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 3d4x h ALA 131 CO 0.08 -0.31 0.58 0.28 0.00 0.00 0.00 179.25 179.88 3d4x h VAL 132 N 0.17 0.96 -0.29 0.00 2.07 -1.39 -2.60 116.25 115.17 3d4x h VAL 132 Ca 0.05 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.12 3d4x h VAL 132 Cb 0.01 -0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 29.67 3d4x h VAL 132 CO -0.01 0.18 -0.31 0.28 0.02 0.00 0.00 177.57 177.73 3d4x h SER 133 N 0.97 0.63 -0.15 0.57 0.02 -1.13 -1.37 113.55 113.09 3d4x h SER 133 Ca 0.45 -0.25 -0.14 0.00 -0.84 0.00 0.00 61.79 61.01 3d4x h SER 133 Cb 0.37 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 62.72 3d4x h SER 133 CO -0.24 0.90 -0.41 0.71 -1.14 0.00 0.00 176.83 176.66 3d4x h THR 134 N 0.52 1.29 -0.54 -2.27 1.35 -1.28 -0.08 112.91 111.91 3d4x h THR 134 Ca 0.06 -1.58 -0.03 0.00 -0.55 0.00 0.00 66.41 64.31 3d4x h THR 134 Cb 0.79 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.70 3d4x h THR 134 CO 0.07 0.51 0.24 0.58 -0.25 0.00 0.00 175.52 176.66 3d4x h VAL 135 N 0.56 1.21 0.00 6.82 2.07 -1.33 -0.09 116.25 125.48 3d4x h VAL 135 Ca 0.05 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3d4x h VAL 135 Cb 0.94 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3d4x h VAL 135 CO 0.09 0.24 0.00 -0.07 0.02 0.00 0.00 177.57 177.85 3d4x h LEU 136 N 0.73 0.00 -0.82 2.57 3.38 -1.07 -3.09 115.31 117.00 3d4x h LEU 136 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 3d4x h LEU 136 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 3d4x h LEU 136 CO -0.02 0.00 -0.46 0.35 0.09 0.00 0.00 178.44 178.40 3d4x n THR 137 N -2.63 0.00 -0.20 0.22 -2.24 -0.06 -4.21 114.28 105.16 3d4x n THR 137 Ca 0.03 -0.27 0.01 0.00 -2.27 0.00 0.00 64.05 61.54 3d4x n THR 137 Cb 0.33 1.19 0.11 0.00 -2.10 0.00 0.00 70.33 69.87 3d4x n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 3d4x h SER 138 N 1.83 0.05 -0.21 3.42 4.64 -0.93 -2.13 113.55 120.21 3d4x h SER 138 Ca 0.00 0.11 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3d4x h SER 138 Cb 0.62 0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3d4x h SER 138 CO 0.00 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 3d4x n LYS 139 N -5.10 1.73 -0.25 4.77 5.02 -1.26 -4.52 118.16 118.55 3d4x n LYS 139 Ca 0.09 -0.86 0.08 0.00 -2.02 0.00 0.00 58.31 55.59 3d4x n LYS 139 Cb 0.32 -1.35 0.33 0.00 -0.02 0.00 0.00 35.03 34.31 3d4x n LYS 139 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 3d4x h TYR 140 N 1.30 0.86 0.00 2.13 3.20 -1.71 -3.45 116.97 119.31 3d4x h TYR 140 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 3d4x h TYR 140 Cb 0.50 -0.28 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3d4x h TYR 140 CO 0.21 0.41 0.00 -2.13 -1.64 0.00 0.00 178.16 175.01