#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d4x n LEU 2 N 0.00 0.00 -3.48 7.52 7.94 -1.26 -4.98 117.00 122.74 3d4x n LEU 2 Ca 0.00 0.00 -0.12 0.00 -1.11 0.00 0.00 56.01 54.78 3d4x n LEU 2 Cb 0.00 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 43.92 3d4x n LEU 2 CO 0.00 0.00 0.53 -0.94 -1.11 0.00 0.00 177.39 175.87 3d4x s SER 3 N 1.07 -0.51 0.43 1.96 1.04 -1.26 -5.00 113.70 111.42 3d4x s SER 3 Ca 0.00 0.17 0.17 0.00 0.48 0.00 0.00 55.95 56.77 3d4x s SER 3 Cb 0.00 0.50 1.08 0.00 0.10 0.00 0.00 66.02 67.70 3d4x s SER 3 CO 0.00 -0.74 1.89 0.00 0.98 0.00 0.00 173.24 175.37 3d4x h ALA 4 N 2.24 2.19 -0.30 5.32 0.00 -2.04 0.73 119.26 127.40 3d4x h ALA 4 Ca -0.28 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.47 3d4x h ALA 4 Cb 1.24 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 3d4x h ALA 4 CO 0.35 -0.43 -0.50 0.00 0.00 0.00 0.00 179.25 178.67 3d4x h ALA 5 N 1.62 0.53 0.02 0.00 0.00 -1.99 -3.02 119.26 116.43 3d4x h ALA 5 Ca 0.42 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 3d4x h ALA 5 Cb 1.04 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3d4x h ALA 5 CO -0.14 0.68 -0.01 -0.44 0.00 0.00 0.00 179.25 179.34 3d4x h ASP 6 N 0.66 -0.02 -0.58 0.00 3.32 -1.41 -2.59 116.42 115.81 3d4x h ASP 6 Ca 0.03 -0.30 0.11 0.00 0.02 0.00 0.00 57.03 56.88 3d4x h ASP 6 Cb 1.10 0.01 -0.08 0.00 0.22 0.00 0.00 39.33 40.57 3d4x h ASP 6 CO 0.11 0.29 0.12 0.11 -1.72 0.00 0.00 179.24 178.16 3d4x h LYS 7 N -0.33 0.25 0.00 3.56 1.57 -1.03 -0.75 116.57 119.84 3d4x h LYS 7 Ca -0.00 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.68 3d4x h LYS 7 Cb 0.32 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3d4x h LYS 7 CO 0.00 0.17 -0.40 1.03 -0.57 0.00 0.00 179.45 179.68 3d4x h SER 8 N 0.26 0.00 0.31 0.86 0.87 -1.58 -0.38 113.55 113.89 3d4x h SER 8 Ca 0.30 0.00 -0.24 0.00 -1.23 0.00 0.00 61.79 60.62 3d4x h SER 8 Cb 0.43 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3d4x h SER 8 CO -0.38 0.40 -0.99 0.78 -0.53 0.00 0.00 176.83 176.11 3d4x h ASN 9 N 0.00 0.58 0.33 6.23 2.35 -0.82 -2.37 115.58 121.89 3d4x h ASN 9 Ca -0.00 -0.48 -0.02 0.00 -0.55 0.00 0.00 56.30 55.25 3d4x h ASN 9 Cb 0.79 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.98 3d4x h ASN 9 CO 0.05 1.29 -0.16 0.58 -1.65 0.00 0.00 177.43 177.54 3d4x h VAL 10 N 0.24 0.61 -0.53 2.81 2.07 -1.05 -1.92 116.25 118.48 3d4x h VAL 10 Ca -0.09 -0.64 0.10 0.00 0.82 0.00 0.00 66.70 66.88 3d4x h VAL 10 Cb 1.64 0.90 -0.08 0.00 -1.52 0.00 0.00 31.29 32.23 3d4x h VAL 10 CO 0.17 0.11 0.09 0.11 0.02 0.00 0.00 177.57 178.08 3d4x h LYS 11 N -0.84 0.22 -0.44 1.57 1.57 -1.18 0.86 116.57 118.33 3d4x h LYS 11 Ca -0.05 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 3d4x h LYS 11 Cb 0.52 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 3d4x h LYS 11 CO 0.08 0.14 0.26 0.00 -0.57 0.00 0.00 179.45 179.36 3d4x h ALA 12 N 1.43 0.56 -0.27 3.86 0.00 -1.45 -2.21 119.26 121.17 3d4x h ALA 12 Ca 0.27 -0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3d4x h ALA 12 Cb 0.38 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 3d4x h ALA 12 CO -0.37 0.05 -0.17 0.00 0.00 0.00 0.00 179.25 178.77 3d4x h TRP 14 N 0.32 0.00 -0.67 0.00 2.91 -0.84 -0.63 115.95 117.05 3d4x h TRP 14 Ca 0.06 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 3d4x h TRP 14 Cb 0.70 0.00 -0.03 0.00 -0.51 0.00 0.00 29.16 29.32 3d4x h TRP 14 CO 0.07 0.15 0.32 0.78 -1.03 0.00 0.00 178.44 178.72 3d4x h GLY 15 N 1.73 1.04 1.32 2.65 0.00 -1.33 -2.99 103.07 105.50 3d4x h GLY 15 Ca -0.00 -0.52 -0.07 0.00 0.00 0.00 0.00 47.33 46.74 3d4x h GLY 15 CO 0.02 0.49 0.03 0.50 0.00 0.00 0.00 176.54 177.58 3d4x h LYS 16 N 0.93 0.83 -0.52 4.80 1.79 -0.98 -3.19 116.57 120.24 3d4x h LYS 16 Ca 0.23 -0.22 -0.04 0.00 -2.18 0.00 0.00 60.65 58.44 3d4x h LYS 16 Cb 0.12 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 30.65 3d4x h LYS 16 CO -0.03 0.81 0.15 0.82 -1.08 0.00 0.00 179.45 180.13 3d4x h ILE 17 N 0.78 1.24 0.00 1.86 2.04 -1.38 -3.46 117.51 118.58 3d4x h ILE 17 Ca 0.15 -0.80 0.00 0.00 1.00 0.00 0.00 64.86 65.21 3d4x h ILE 17 Cb 0.43 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3d4x h ILE 17 CO 0.02 0.30 0.00 0.61 0.00 0.00 0.00 178.15 179.07 3d4x n GLY 18 N -0.67 3.56 0.00 5.37 0.00 -1.13 -1.33 105.19 110.99 3d4x n GLY 18 Ca 0.02 0.06 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 5.49 0.00 -0.06 1.61 3.41 -1.26 -3.09 113.62 119.71 3d4x n SER 19 Ca 0.00 -0.61 0.12 0.00 -0.26 0.00 0.00 58.87 58.12 3d4x n SER 19 Cb 0.00 -0.05 0.19 0.00 -0.26 0.00 0.00 64.21 64.10 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 -1.05 0.00 -0.34 7.33 8.25 -0.44 -4.41 115.22 124.56 3d4x n HIS 20 Ca 0.16 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.77 3d4x n HIS 20 Cb 0.09 -0.17 0.36 0.00 1.12 0.00 0.00 29.99 31.39 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 3.15 1.78 -0.59 -1.41 0.00 -1.67 -0.58 119.26 119.94 3d4x h ALA 21 Ca 0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 3d4x h ALA 21 Cb 0.51 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3d4x h ALA 21 CO 0.00 -0.16 0.00 0.78 0.00 0.00 0.00 179.25 179.87 3d4x h GLY 22 N 0.68 1.12 0.94 0.00 0.00 -1.86 0.14 103.07 104.09 3d4x h GLY 22 Ca 0.58 -0.83 -0.02 0.00 0.00 0.00 0.00 47.33 47.06 3d4x h GLY 22 CO -0.36 0.76 0.15 0.83 0.00 0.00 0.00 176.54 177.92 3d4x h GLU 23 N 0.94 0.50 -0.29 4.80 3.07 -1.42 -2.65 114.58 119.52 3d4x h GLU 23 Ca 0.17 -0.08 -0.15 0.00 -0.50 0.00 0.00 59.36 58.80 3d4x h GLU 23 Cb 0.55 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 28.37 3d4x h GLU 23 CO 0.03 0.48 -0.43 1.88 -1.40 0.00 0.00 179.01 179.57 3d4x h TYR 24 N 0.41 0.87 -0.90 4.33 0.05 -1.17 -1.83 116.97 118.73 3d4x h TYR 24 Ca 0.12 -0.27 0.13 0.00 0.05 0.00 0.00 58.73 58.76 3d4x h TYR 24 Cb 0.15 -0.18 -0.09 0.00 1.01 0.00 0.00 36.73 37.62 3d4x h TYR 24 CO -0.01 1.02 0.52 0.78 -1.05 0.00 0.00 178.16 179.42 3d4x h GLY 25 N 0.93 1.48 0.96 3.88 0.00 -0.69 -0.27 103.07 109.37 3d4x h GLY 25 Ca 0.04 -0.33 -0.17 0.00 0.00 0.00 0.00 47.33 46.87 3d4x h GLY 25 CO 0.09 0.06 -0.60 0.00 0.00 0.00 0.00 176.54 176.08 3d4x h ALA 26 N 1.54 0.22 -0.57 3.60 0.00 -1.20 -3.00 119.26 119.84 3d4x h ALA 26 Ca 0.47 -0.54 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 3d4x h ALA 26 Cb 0.56 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 3d4x h ALA 26 CO -0.31 0.47 0.35 1.49 0.00 0.00 0.00 179.25 181.26 3d4x h GLU 27 N 0.23 0.78 -0.97 0.00 4.81 -1.12 -1.68 114.58 116.64 3d4x h GLU 27 Ca -0.05 -0.07 0.08 0.00 -0.13 0.00 0.00 59.36 59.20 3d4x h GLU 27 Cb 1.25 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 30.40 3d4x h GLU 27 CO 0.12 0.55 0.62 0.00 -0.73 0.00 0.00 179.01 179.58 3d4x h ALA 28 N 1.18 1.49 -0.08 2.92 0.00 -1.10 0.50 119.26 124.17 3d4x h ALA 28 Ca 0.21 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 3d4x h ALA 28 Cb -0.03 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 3d4x h ALA 28 CO -0.04 0.34 -0.04 -0.07 0.00 0.00 0.00 179.25 179.44 3d4x h LEU 29 N 1.07 0.17 -0.32 0.00 3.38 -1.36 0.10 115.31 118.35 3d4x h LEU 29 Ca 0.43 -0.43 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3d4x h LEU 29 Cb 0.28 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.93 3d4x h LEU 29 CO -0.19 0.57 -0.01 -0.08 0.09 0.00 0.00 178.44 178.82 3d4x h GLU 30 N -0.22 0.07 -0.85 1.13 4.81 -0.91 0.22 114.58 118.84 3d4x h GLU 30 Ca 0.02 -0.00 0.05 0.00 -0.13 0.00 0.00 59.36 59.29 3d4x h GLU 30 Cb 0.50 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 3d4x h GLU 30 CO 0.01 0.05 0.54 0.00 -0.73 0.00 0.00 179.01 178.88 3d4x h ARG 31 N 0.08 0.98 -0.46 1.92 3.08 0.05 -1.91 114.38 118.11 3d4x h ARG 31 Ca 0.15 -0.06 -0.13 0.00 0.07 0.00 0.00 59.98 60.01 3d4x h ARG 31 Cb 0.21 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 3d4x h ARG 31 CO -0.27 0.65 -0.23 1.79 -1.07 0.00 0.00 179.97 180.84 3d4x h THR 32 N 1.01 1.27 -0.61 2.04 1.35 0.37 -0.70 112.91 117.63 3d4x h THR 32 Ca 0.36 -1.40 -0.08 0.00 -0.55 0.00 0.00 66.41 64.74 3d4x h THR 32 Cb 0.10 1.17 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 3d4x h THR 32 CO -0.15 0.48 0.07 -0.26 -0.25 0.00 0.00 175.52 175.41 3d4x h PHE 33 N 0.82 1.09 0.54 4.73 0.04 -0.51 0.32 116.94 123.97 3d4x h PHE 33 Ca 0.10 -0.15 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 3d4x h PHE 33 Cb 0.81 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.67 3d4x h PHE 33 CO 0.06 0.93 -0.26 0.00 -0.60 0.00 0.00 178.31 178.44 3d4x h SER 35 N -1.13 0.53 -2.56 0.00 0.02 -1.14 -3.38 113.55 105.89 3d4x h SER 35 Ca -0.07 -0.22 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 3d4x h SER 35 Cb 0.60 -0.15 -0.40 0.00 0.14 0.00 0.00 62.40 62.59 3d4x h SER 35 CO 0.12 0.85 -0.77 0.49 -1.14 0.00 0.00 176.83 176.38 3d4x n PHE 36 N -4.06 1.61 0.20 3.45 3.72 0.11 -4.99 117.46 117.50 3d4x n PHE 36 Ca -0.01 -3.89 0.12 0.00 -0.05 0.00 0.00 57.45 53.62 3d4x n PHE 36 Cb 0.48 -0.31 0.65 0.00 -0.94 0.00 0.00 39.48 39.36 3d4x n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3d4x h PRO 37 N 5.05 0.00 0.00 -1.08 0.11 -1.73 -0.90 132.00 133.44 3d4x h PRO 37 Ca 0.18 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 3d4x h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 3d4x h PRO 37 CO 0.60 0.00 -0.23 1.79 -0.21 0.00 0.00 178.00 179.96 3d4x h THR 38 N 0.00 0.45 0.00 -1.15 1.35 -1.91 -2.71 112.91 108.95 3d4x h THR 38 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 3d4x h THR 38 Cb 0.16 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.55 3d4x h THR 38 CO 0.00 0.22 0.00 0.71 -0.25 0.00 0.00 175.52 176.20 3d4x h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.48 -2.48 112.91 117.12 3d4x h THR 39 Ca -0.00 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 3d4x h THR 39 Cb 0.95 0.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 3d4x h THR 39 CO 0.03 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.41 3d4x h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.68 -3.23 116.57 117.95 3d4x h LYS 40 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3d4x h LYS 40 Cb 0.01 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.32 3d4x h LYS 40 CO 0.00 0.00 -0.02 1.79 -0.57 0.00 0.00 179.45 180.65 3d4x h THR 41 N 0.00 0.55 0.00 -0.16 1.35 -1.64 -0.79 112.91 112.22 3d4x h THR 41 Ca 0.00 -0.07 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 3d4x h THR 41 Cb 0.69 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.15 3d4x h THR 41 CO 0.00 0.02 -0.24 -1.22 -0.25 0.00 0.00 175.52 173.83 3d4x n TYR 42 N -3.86 0.29 -2.53 4.73 4.01 -1.22 -4.30 117.16 114.28 3d4x n TYR 42 Ca -0.03 0.08 -0.29 0.00 -0.16 0.00 0.00 57.90 57.50 3d4x n TYR 42 Cb 0.10 -0.55 -0.00 0.00 -0.31 0.00 0.00 39.34 38.57 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 -1.76 3.49 0.53 -0.72 3.72 -0.30 -4.85 117.46 117.56 3d4x n PHE 43 Ca 0.06 -3.21 0.13 0.00 -0.05 0.00 0.00 57.45 54.38 3d4x n PHE 43 Cb 0.37 -0.38 0.37 0.00 -0.94 0.00 0.00 39.48 38.91 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 2.82 0.00 -0.13 -1.08 0.14 -1.75 -2.42 132.00 129.58 3d4x h PRO 44 Ca 0.30 0.00 0.00 0.00 0.14 0.00 0.00 66.00 66.44 3d4x h PRO 44 Cb 0.67 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.81 3d4x h PRO 44 CO 0.93 0.00 0.00 -2.39 0.14 0.00 0.00 178.00 176.68 3d4x n HIS 45 N -2.44 0.15 -3.41 1.56 1.44 -1.26 -4.87 115.22 106.39 3d4x n HIS 45 Ca 0.05 -0.07 -0.38 0.00 -2.01 0.00 0.00 57.72 55.30 3d4x n HIS 45 Cb 0.43 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.48 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 -1.85 3.71 -0.30 -1.40 0.40 -0.91 -5.04 117.98 112.58 3d4x s PHE 46 Ca 0.34 1.05 -0.28 0.00 -0.60 0.00 0.00 56.93 57.43 3d4x s PHE 46 Cb 0.20 -2.39 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 3d4x s PHE 46 CO 0.30 0.54 1.82 0.34 0.70 0.00 0.00 175.22 178.92 3d4x s ASP 47 N -0.76 5.93 0.00 1.36 2.15 -1.26 -4.89 116.67 119.20 3d4x s ASP 47 Ca 0.25 1.43 0.23 0.00 0.43 0.00 0.00 52.55 54.90 3d4x s ASP 47 Cb -0.17 -2.53 0.10 0.00 -0.30 0.00 0.00 42.92 40.03 3d4x s ASP 47 CO 0.14 -1.66 1.18 0.18 -0.17 0.00 0.00 175.17 174.84 3d4x n LEU 48 N 10.12 2.48 -4.44 -1.34 4.77 -1.26 -4.45 117.00 122.88 3d4x n LEU 48 Ca 0.23 -0.87 -0.34 0.00 -0.03 0.00 0.00 56.01 55.00 3d4x n LEU 48 Cb 0.46 -0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.66 3d4x n LEU 48 CO 0.68 0.43 -0.02 -1.54 -1.33 0.00 0.00 177.39 175.61 3d4x n SER 49 N 0.63 -1.75 -4.73 -1.43 3.41 -1.26 -4.82 113.62 103.67 3d4x n SER 49 Ca 0.12 0.41 -0.42 0.00 -0.26 0.00 0.00 58.87 58.72 3d4x n SER 49 Cb 0.53 -1.22 -0.02 0.00 -0.26 0.00 0.00 64.21 63.24 3d4x n SER 49 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3d4x s HIS 50 N -2.24 2.92 0.00 7.33 2.46 -1.26 -2.28 115.29 122.22 3d4x s HIS 50 Ca 0.60 0.68 0.00 0.00 0.47 0.00 0.00 55.06 56.81 3d4x s HIS 50 Cb -0.25 -4.00 0.00 0.00 -0.13 0.00 0.00 32.58 28.19 3d4x s HIS 50 CO 0.64 -3.55 0.00 0.41 -2.47 0.00 0.00 174.74 169.77 3d4x n GLY 51 N 3.02 0.42 3.76 1.59 0.00 -1.26 -4.99 105.19 107.73 3d4x n GLY 51 Ca 0.11 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.01 5.68 0.32 1.61 1.04 -0.97 -4.92 113.70 114.46 3d4x s SER 52 Ca 0.00 2.85 0.07 0.00 0.48 0.00 0.00 55.95 59.36 3d4x s SER 52 Cb 0.00 -2.65 0.56 0.00 0.10 0.00 0.00 66.02 64.03 3d4x s SER 52 CO 0.00 -1.30 1.77 0.00 0.98 0.00 0.00 173.24 174.69 3d4x h ALA 53 N 2.03 1.23 -0.56 5.32 0.00 -1.91 -2.66 119.26 122.71 3d4x h ALA 53 Ca -0.51 -0.34 -0.11 0.00 0.00 0.00 0.00 54.91 53.95 3d4x h ALA 53 Cb 1.28 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3d4x h ALA 53 CO 0.60 0.51 -0.07 0.37 0.00 0.00 0.00 179.25 180.66 3d4x h GLN 54 N 0.21 1.04 -0.31 0.00 4.15 -1.91 -1.37 115.11 116.92 3d4x h GLN 54 Ca 0.03 -0.37 -0.09 0.00 0.77 0.00 0.00 58.65 58.99 3d4x h GLN 54 Cb 0.67 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 3d4x h GLN 54 CO 0.05 1.06 -0.16 0.28 -1.93 0.00 0.00 178.83 178.13 3d4x h VAL 55 N 0.93 1.29 -0.44 2.39 2.07 -1.74 -1.99 116.25 118.75 3d4x h VAL 55 Ca 0.15 -1.27 0.02 0.00 0.82 0.00 0.00 66.70 66.42 3d4x h VAL 55 Cb 0.64 1.45 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 3d4x h VAL 55 CO 0.04 0.41 0.27 0.11 0.02 0.00 0.00 177.57 178.42 3d4x h LYS 56 N 0.41 0.53 -0.73 1.57 1.57 -1.42 0.26 116.57 118.76 3d4x h LYS 56 Ca 0.07 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 3d4x h LYS 56 Cb 0.69 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.85 3d4x h LYS 56 CO 0.05 0.35 0.38 0.00 -0.57 0.00 0.00 179.45 179.65 3d4x h ALA 57 N 1.19 0.94 -0.27 3.86 0.00 -1.28 -2.06 119.26 121.64 3d4x h ALA 57 Ca 0.17 -0.13 -0.14 0.00 0.00 0.00 0.00 54.91 54.81 3d4x h ALA 57 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 3d4x h ALA 57 CO -0.07 0.48 -0.40 1.25 0.00 0.00 0.00 179.25 180.51 3d4x h HIS 58 N 1.02 0.77 -0.88 0.00 -0.00 -1.03 -2.70 115.15 112.33 3d4x h HIS 58 Ca 0.25 -0.22 0.09 0.00 -0.00 0.00 0.00 60.37 60.49 3d4x h HIS 58 Cb 0.08 -0.16 -0.06 0.00 -0.00 0.00 0.00 27.41 27.26 3d4x h HIS 58 CO 0.00 0.94 0.57 0.78 -0.00 0.00 0.00 177.93 180.22 3d4x h GLY 59 N 1.00 1.25 0.73 5.26 0.00 -0.15 -0.96 103.07 110.20 3d4x h GLY 59 Ca 0.05 -0.37 -0.01 0.00 0.00 0.00 0.00 47.33 47.00 3d4x h GLY 59 CO 0.08 0.23 -0.00 -1.61 0.00 0.00 0.00 176.54 175.24 3d4x h GLN 60 N 0.90 0.11 -0.98 4.80 5.75 -1.12 -2.18 115.11 122.38 3d4x h GLN 60 Ca 0.40 -0.04 0.09 0.00 -0.15 0.00 0.00 58.65 58.95 3d4x h GLN 60 Cb 0.35 -0.01 -0.07 0.00 1.07 0.00 0.00 27.48 28.81 3d4x h GLN 60 CO -0.16 0.39 0.63 0.87 -2.65 0.00 0.00 178.83 177.91 3d4x h LYS 61 N -0.18 1.03 -0.47 1.69 1.57 -1.15 -1.25 116.57 117.81 3d4x h LYS 61 Ca 0.02 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 3d4x h LYS 61 Cb 0.34 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.40 3d4x h LYS 61 CO 0.00 0.68 -0.03 0.28 -0.57 0.00 0.00 179.45 179.81 3d4x h VAL 62 N 1.06 1.25 0.00 0.50 2.07 -1.10 -2.91 116.25 117.13 3d4x h VAL 62 Ca 0.45 -1.07 -0.11 0.00 0.82 0.00 0.00 66.70 66.80 3d4x h VAL 62 Cb 0.32 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 3d4x h VAL 62 CO -0.20 0.37 -0.52 0.00 0.02 0.00 0.00 177.57 177.24 3d4x h ALA 63 N 1.21 0.85 -0.03 1.67 0.00 -0.67 -2.78 119.26 119.51 3d4x h ALA 63 Ca 0.14 -0.47 -0.23 0.00 0.00 0.00 0.00 54.91 54.35 3d4x h ALA 63 Cb 0.50 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.22 3d4x h ALA 63 CO 0.03 0.65 -0.91 -0.44 0.00 0.00 0.00 179.25 178.58 3d4x h ASP 64 N 0.00 0.66 -0.54 0.00 3.32 -1.19 -2.06 116.42 116.60 3d4x h ASP 64 Ca -0.01 -0.50 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 3d4x h ASP 64 Cb 1.13 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.46 3d4x h ASP 64 CO 0.07 1.29 0.01 0.00 -1.72 0.00 0.00 179.24 178.89 3d4x h ALA 65 N 0.67 0.73 -0.35 3.45 0.00 -1.48 -1.43 119.26 120.85 3d4x h ALA 65 Ca -0.08 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.44 3d4x h ALA 65 Cb 1.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.11 3d4x h ALA 65 CO 0.17 0.54 -0.20 -0.07 0.00 0.00 0.00 179.25 179.69 3d4x h LEU 66 N 0.83 0.67 -1.02 0.00 3.38 -1.50 0.11 115.31 117.78 3d4x h LEU 66 Ca 0.16 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.82 3d4x h LEU 66 Cb 0.52 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 3d4x h LEU 66 CO 0.03 0.87 -0.11 0.74 0.09 0.00 0.00 178.44 180.05 3d4x h THR 67 N 0.59 1.24 0.00 0.22 2.02 -1.20 -1.55 112.91 114.23 3d4x h THR 67 Ca 0.09 -1.05 -0.12 0.00 0.77 0.00 0.00 66.41 66.10 3d4x h THR 67 Cb 0.67 1.11 -0.02 0.00 -1.74 0.00 0.00 68.15 68.18 3d4x h THR 67 CO 0.05 0.35 -0.56 -0.61 0.37 0.00 0.00 175.52 175.12 3d4x h GLN 68 N 0.52 0.00 -0.35 6.66 4.15 -0.89 -2.95 115.11 122.25 3d4x h GLN 68 Ca 0.10 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.44 3d4x h GLN 68 Cb 0.51 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.18 3d4x h GLN 68 CO 0.03 0.56 -0.09 0.00 -1.93 0.00 0.00 178.83 177.40 3d4x h ALA 69 N 1.44 1.18 -0.04 3.38 0.00 -0.28 -2.85 119.26 122.10 3d4x h ALA 69 Ca -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.59 3d4x h ALA 69 Cb 1.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 3d4x h ALA 69 CO 0.07 0.53 -0.16 0.28 0.00 0.00 0.00 179.25 179.97 3d4x h VAL 70 N 0.56 1.14 0.00 0.00 2.07 -1.12 -2.54 116.25 116.35 3d4x h VAL 70 Ca 0.10 -0.65 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 3d4x h VAL 70 Cb 0.49 1.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 3d4x h VAL 70 CO 0.03 0.19 -0.45 0.00 0.02 0.00 0.00 177.57 177.36 3d4x h ALA 71 N 1.78 0.78 -0.68 1.67 0.00 -1.50 -3.34 119.26 117.96 3d4x h ALA 71 Ca 0.01 -0.27 -0.49 0.00 0.00 0.00 0.00 54.91 54.16 3d4x h ALA 71 Cb 0.33 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.69 3d4x h ALA 71 CO 0.02 0.34 -0.86 0.72 0.00 0.00 0.00 179.25 179.48 3d4x n HIS 72 N -3.08 2.46 0.32 0.00 -0.00 -1.08 -4.82 115.22 109.02 3d4x n HIS 72 Ca 0.01 -2.18 0.21 0.00 -0.00 0.00 0.00 57.72 55.76 3d4x n HIS 72 Cb 0.65 -0.32 1.11 0.00 -0.00 0.00 0.00 29.99 31.42 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 2.21 0.00 -0.01 -0.41 2.86 -1.59 -0.33 114.93 117.67 3d4x h MET 73 Ca 0.29 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 3d4x h MET 73 Cb 1.49 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.15 3d4x h MET 73 CO 0.66 0.01 -0.41 -0.25 1.06 0.00 0.00 176.91 177.98 3d4x n ASP 74 N -3.24 0.98 -2.98 1.22 8.00 -1.26 -4.37 116.55 114.90 3d4x n ASP 74 Ca -0.03 -0.78 -0.15 0.00 0.71 0.00 0.00 54.79 54.54 3d4x n ASP 74 Cb 0.10 0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.47 3d4x n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 3d4x n ASP 75 N -0.90 -1.02 -0.11 -2.24 2.03 -0.17 -5.01 116.55 109.15 3d4x n ASP 75 Ca 0.09 -3.14 -0.10 0.00 0.52 0.00 0.00 54.79 52.16 3d4x n ASP 75 Cb 0.36 0.56 -0.02 0.00 -0.72 0.00 0.00 41.12 41.29 3d4x n ASP 75 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3d4x h LEU 76 N 3.56 0.48 -1.17 -2.67 4.07 -1.66 -2.46 115.31 115.45 3d4x h LEU 76 Ca -0.02 -0.20 0.10 0.00 0.08 0.00 0.00 57.88 57.84 3d4x h LEU 76 Cb 0.99 -0.13 -0.07 0.00 1.08 0.00 0.00 40.66 42.53 3d4x h LEU 76 CO 0.37 0.55 0.59 -0.65 -1.08 0.00 0.00 178.44 178.21 3d4x h PRO 77 N 0.38 0.89 0.18 1.13 0.11 -1.95 -0.06 132.00 132.69 3d4x h PRO 77 Ca 0.11 -0.05 -0.24 0.00 0.11 0.00 0.00 66.00 65.92 3d4x h PRO 77 Cb 0.24 -0.20 0.03 0.00 0.11 0.00 0.00 31.00 31.17 3d4x h PRO 77 CO -0.00 0.59 -1.06 1.15 -0.21 0.00 0.00 178.00 178.47 3d4x h THR 78 N 0.92 1.43 -0.20 -1.15 2.02 -1.95 -2.53 112.91 111.44 3d4x h THR 78 Ca 0.42 -2.59 -0.05 0.00 0.77 0.00 0.00 66.41 64.95 3d4x h THR 78 Cb 0.39 3.15 -0.01 0.00 -1.74 0.00 0.00 68.15 69.93 3d4x h THR 78 CO -0.18 0.75 -0.11 0.00 0.37 0.00 0.00 175.52 176.35 3d4x h ALA 79 N 0.10 1.45 -0.67 6.16 0.00 -1.30 -3.11 119.26 121.90 3d4x h ALA 79 Ca -0.19 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3d4x h ALA 79 Cb 1.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.52 3d4x h ALA 79 CO 0.20 0.39 0.00 -1.33 0.00 0.00 0.00 179.25 178.50 3d4x n MET 80 N -4.27 2.80 -0.24 0.00 2.81 -0.05 -4.75 117.12 113.42 3d4x n MET 80 Ca -0.00 -2.58 0.05 0.00 -1.81 0.00 0.00 57.70 53.36 3d4x n MET 80 Cb 0.27 -1.53 0.17 0.00 -0.71 0.00 0.00 33.22 31.42 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 3.91 -0.01 -0.54 7.83 4.64 -1.38 0.83 113.55 128.83 3d4x h SER 81 Ca 0.00 0.14 -0.08 0.00 -0.47 0.00 0.00 61.79 61.39 3d4x h SER 81 Cb 0.97 0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 3d4x h SER 81 CO 0.01 -0.04 0.06 0.00 -0.87 0.00 0.00 176.83 175.99 3d4x h ALA 82 N 1.60 1.01 0.01 5.18 0.00 -1.86 -1.92 119.26 123.27 3d4x h ALA 82 Ca 0.40 -0.27 -0.19 0.00 0.00 0.00 0.00 54.91 54.85 3d4x h ALA 82 Cb 0.67 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3d4x h ALA 82 CO -0.50 0.62 -0.87 -0.07 0.00 0.00 0.00 179.25 178.43 3d4x h LEU 83 N 0.90 0.12 -0.26 0.00 3.38 -1.58 -1.13 115.31 116.75 3d4x h LEU 83 Ca 0.18 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 58.06 3d4x h LEU 83 Cb 0.44 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3d4x h LEU 83 CO 0.02 0.92 0.13 0.28 0.09 0.00 0.00 178.44 179.88 3d4x h SER 84 N 0.05 0.20 -0.67 -0.43 0.02 -0.80 0.10 113.55 112.01 3d4x h SER 84 Ca -0.03 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 3d4x h SER 84 Cb 1.51 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.99 3d4x h SER 84 CO 0.12 0.15 0.29 -0.78 -1.14 0.00 0.00 176.83 175.48 3d4x h ASP 85 N 0.27 0.90 0.22 3.07 3.58 -1.25 -0.43 116.42 122.79 3d4x h ASP 85 Ca 0.10 -0.15 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 3d4x h ASP 85 Cb 0.02 -0.23 0.00 0.00 1.72 0.00 0.00 39.33 40.84 3d4x h ASP 85 CO -0.07 0.81 -0.11 0.25 -2.88 0.00 0.00 179.24 177.24 3d4x h LEU 86 N 0.94 -0.26 0.13 2.28 5.85 -1.05 -1.55 115.31 121.66 3d4x h LEU 86 Ca 0.23 0.01 -0.28 0.00 0.84 0.00 0.00 57.88 58.68 3d4x h LEU 86 Cb 0.17 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.27 3d4x h LEU 86 CO -0.02 -0.18 -1.25 0.45 -0.34 0.00 0.00 178.44 177.09 3d4x h HIS 87 N -0.30 0.51 0.00 1.25 3.86 -0.69 0.19 115.15 119.98 3d4x h HIS 87 Ca -0.03 -0.38 -0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3d4x h HIS 87 Cb 0.23 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.68 3d4x h HIS 87 CO -0.06 1.29 -1.66 0.00 0.86 0.00 0.00 177.93 178.36 3d4x n ALA 88 N -2.54 2.70 -0.03 2.45 0.00 -0.18 -1.15 120.51 121.76 3d4x n ALA 88 Ca -0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 53.44 52.87 3d4x n ALA 88 Cb 1.03 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.58 3d4x n ALA 88 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 3d4x n TYR 89 N -2.41 0.00 -0.08 0.00 9.36 -0.77 -3.42 117.16 119.83 3d4x n TYR 89 Ca -0.03 0.00 -0.16 0.00 3.32 0.00 0.00 57.90 61.03 3d4x n TYR 89 Cb 0.57 -0.23 -0.12 0.00 -0.63 0.00 0.00 39.34 38.93 3d4x n TYR 89 CO 0.00 0.00 0.00 -0.22 0.22 0.00 0.00 176.86 176.86 3d4x h LYS 90 N -0.10 0.00 0.06 2.98 3.64 -1.13 -3.40 116.57 118.61 3d4x h LYS 90 Ca -0.15 0.00 -0.32 0.00 -1.27 0.00 0.00 60.65 58.91 3d4x h LYS 90 Cb 1.18 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.96 3d4x h LYS 90 CO -0.06 0.95 -1.80 -0.07 -2.27 0.00 0.00 179.45 176.20 3d4x h LEU 91 N -1.00 0.19 -3.16 5.20 3.38 -0.80 -3.50 115.31 115.62 3d4x h LEU 91 Ca -0.13 -0.41 -0.35 0.00 0.09 0.00 0.00 57.88 57.08 3d4x h LEU 91 Cb 1.08 -0.06 0.05 0.00 0.09 0.00 0.00 40.66 41.81 3d4x h LEU 91 CO -0.08 1.36 -0.77 0.54 0.09 0.00 0.00 178.44 179.58 3d4x n ARG 92 N -3.24 -1.31 -2.67 1.13 3.00 -0.30 -4.94 116.66 108.33 3d4x n ARG 92 Ca -0.23 0.76 -0.43 0.00 -0.01 0.00 0.00 57.85 57.95 3d4x n ARG 92 Cb 1.05 -4.05 -0.02 0.00 0.00 0.00 0.00 32.46 29.44 3d4x n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 3d4x s VAL 93 N -3.25 4.72 0.20 1.55 1.01 -0.66 -5.00 120.40 118.97 3d4x s VAL 93 Ca 0.26 2.03 -0.32 0.00 0.00 0.00 0.00 61.98 63.95 3d4x s VAL 93 Cb -0.09 -4.31 -0.12 0.00 0.00 0.00 0.00 36.38 31.87 3d4x s VAL 93 CO 0.85 -0.08 1.74 -0.62 0.00 0.00 0.00 175.10 176.98 3d4x s ASP 94 N 1.16 6.38 0.56 3.32 -1.08 -1.26 -4.87 116.67 120.88 3d4x s ASP 94 Ca 0.46 2.86 0.42 0.00 -0.52 0.00 0.00 52.55 55.77 3d4x s ASP 94 Cb -0.17 -2.59 1.60 0.00 -1.46 0.00 0.00 42.92 40.29 3d4x s ASP 94 CO 0.12 -0.98 1.69 -0.65 0.52 0.00 0.00 175.17 175.87 3d4x h PRO 95 N 7.10 0.00 -0.21 4.34 0.11 -1.97 -0.43 132.00 140.93 3d4x h PRO 95 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3d4x h PRO 95 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3d4x h PRO 95 CO 0.96 0.00 0.13 0.28 -0.21 0.00 0.00 178.00 179.16 3d4x h VAL 96 N 0.00 1.06 -0.04 3.15 2.07 -2.02 -1.89 116.25 118.59 3d4x h VAL 96 Ca 0.70 -0.12 -0.06 0.00 0.82 0.00 0.00 66.70 68.05 3d4x h VAL 96 Cb 2.89 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 33.41 3d4x h VAL 96 CO -0.01 0.06 -0.25 0.78 0.02 0.00 0.00 177.57 178.17 3d4x h ASN 97 N 0.29 0.06 0.57 0.57 2.35 -1.43 -2.27 115.58 115.71 3d4x h ASN 97 Ca 0.08 -0.01 -0.14 0.00 -0.55 0.00 0.00 56.30 55.68 3d4x h ASN 97 Cb -0.02 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.31 3d4x h ASN 97 CO -0.02 0.32 -0.63 -0.26 -1.65 0.00 0.00 177.43 175.19 3d4x h PHE 98 N 0.06 0.08 -0.21 1.19 0.04 -1.47 -2.62 116.94 114.01 3d4x h PHE 98 Ca 0.01 -0.03 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 3d4x h PHE 98 Cb 0.48 -0.01 -0.01 0.00 2.20 0.00 0.00 35.95 38.61 3d4x h PHE 98 CO 0.00 0.67 0.10 0.87 -0.60 0.00 0.00 178.31 179.35 3d4x h LYS 99 N 0.04 0.30 -0.55 1.51 1.57 -1.35 -1.08 116.57 117.01 3d4x h LYS 99 Ca -0.01 -0.05 0.04 0.00 -1.87 0.00 0.00 60.65 58.77 3d4x h LYS 99 Cb 1.12 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.34 3d4x h LYS 99 CO 0.09 0.33 0.31 0.74 -0.57 0.00 0.00 179.45 180.34 3d4x h PHE 100 N 0.20 0.57 -0.30 -1.35 0.04 -1.41 -1.05 116.94 113.63 3d4x h PHE 100 Ca 0.07 0.02 -0.05 0.00 2.80 0.00 0.00 57.97 60.82 3d4x h PHE 100 Cb 0.13 -0.17 -0.01 0.00 2.20 0.00 0.00 35.95 38.10 3d4x h PHE 100 CO -0.02 0.29 0.01 1.25 -0.60 0.00 0.00 178.31 179.24 3d4x h LEU 101 N 0.59 0.51 -0.57 1.54 5.85 -1.43 -1.66 115.31 120.14 3d4x h LEU 101 Ca 0.24 -0.30 0.02 0.00 0.84 0.00 0.00 57.88 58.68 3d4x h LEU 101 Cb 0.10 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 40.96 3d4x h LEU 101 CO -0.14 0.69 0.36 0.28 -0.34 0.00 0.00 178.44 179.29 3d4x h SER 102 N 0.32 0.60 -0.25 1.25 0.02 -0.95 0.23 113.55 114.77 3d4x h SER 102 Ca 0.09 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3d4x h SER 102 Cb 0.42 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.82 3d4x h SER 102 CO 0.01 0.42 0.14 -0.74 -1.14 0.00 0.00 176.83 175.53 3d4x h HIS 103 N 0.72 0.34 0.00 3.45 -0.00 -1.11 -2.05 115.15 116.51 3d4x h HIS 103 Ca 0.22 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.54 3d4x h HIS 103 Cb -0.01 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.28 3d4x h HIS 103 CO -0.05 0.28 -0.22 0.00 -0.00 0.00 0.00 177.93 177.94 3d4x h LEU 105 N 0.00 0.89 -0.20 0.00 4.07 -0.23 -2.49 115.31 117.36 3d4x h LEU 105 Ca -0.00 -0.17 -0.05 0.00 0.08 0.00 0.00 57.88 57.74 3d4x h LEU 105 Cb 0.59 -0.23 -0.01 0.00 1.08 0.00 0.00 40.66 42.09 3d4x h LEU 105 CO 0.03 0.81 -0.06 -0.07 -1.08 0.00 0.00 178.44 178.07 3d4x h LEU 106 N 0.92 0.41 -0.67 1.67 3.38 -0.62 -2.63 115.31 117.76 3d4x h LEU 106 Ca 0.22 -0.38 0.03 0.00 0.09 0.00 0.00 57.88 57.84 3d4x h LEU 106 Cb 0.19 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 3d4x h LEU 106 CO -0.02 0.69 0.42 0.58 0.09 0.00 0.00 178.44 180.21 3d4x h VAL 107 N 0.12 1.10 -0.39 1.22 2.07 -1.40 -1.48 116.25 117.49 3d4x h VAL 107 Ca 0.05 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.28 3d4x h VAL 107 Cb 0.52 0.19 -0.02 0.00 -1.52 0.00 0.00 31.29 30.46 3d4x h VAL 107 CO 0.02 0.15 0.24 0.74 0.02 0.00 0.00 177.57 178.74 3d4x h THR 108 N 0.84 1.13 -0.32 2.57 2.02 -1.41 -2.01 112.91 115.72 3d4x h THR 108 Ca 0.27 -0.28 -0.07 0.00 0.77 0.00 0.00 66.41 67.09 3d4x h THR 108 Cb 0.00 0.62 -0.02 0.00 -1.74 0.00 0.00 68.15 67.01 3d4x h THR 108 CO -0.10 0.13 -0.11 -0.07 0.37 0.00 0.00 175.52 175.73 3d4x h LEU 109 N 0.51 0.52 -0.61 2.58 3.38 -1.07 -2.64 115.31 117.99 3d4x h LEU 109 Ca 0.14 -0.14 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 3d4x h LEU 109 Cb -0.00 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3d4x h LEU 109 CO -0.03 0.67 -0.48 0.00 0.09 0.00 0.00 178.44 178.69 3d4x h ALA 110 N 1.38 0.86 -0.29 1.53 0.00 -1.10 -0.56 119.26 121.08 3d4x h ALA 110 Ca 0.09 -0.44 -0.11 0.00 0.00 0.00 0.00 54.91 54.45 3d4x h ALA 110 Cb 0.50 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 3d4x h ALA 110 CO 0.03 0.60 -0.28 0.00 0.00 0.00 0.00 179.25 179.60 3d4x n HIS 112 N -4.09 0.00 -3.17 0.00 -0.00 -1.14 -4.69 115.22 102.14 3d4x n HIS 112 Ca -0.01 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.50 3d4x n HIS 112 Cb 0.44 -0.59 -0.04 0.00 -0.00 0.00 0.00 29.99 29.80 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 -2.34 0.77 -0.37 4.41 -0.00 -0.23 -4.96 115.22 112.51 3d4x n HIS 113 Ca -0.14 -3.80 0.04 0.00 -0.00 0.00 0.00 57.72 53.82 3d4x n HIS 113 Cb 0.72 -0.42 0.20 0.00 -0.00 0.00 0.00 29.99 30.49 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 3.29 1.08 -0.55 -0.41 0.13 -1.78 -1.52 132.00 132.24 3d4x h PRO 114 Ca 0.10 -0.06 -0.08 0.00 -0.87 0.00 0.00 66.00 65.09 3d4x h PRO 114 Cb 0.87 -0.24 -0.02 0.00 0.13 0.00 0.00 31.00 31.74 3d4x h PRO 114 CO 0.55 0.71 0.02 0.00 -0.23 0.00 0.00 178.00 179.05 3d4x h ALA 115 N 1.49 0.73 0.00 -0.56 0.00 -1.92 -2.92 119.26 116.07 3d4x h ALA 115 Ca 0.46 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 3d4x h ALA 115 Cb 0.29 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3d4x h ALA 115 CO -0.21 0.54 -0.11 0.93 0.00 0.00 0.00 179.25 180.40 3d4x h GLU 116 N 0.83 0.00 -3.71 0.00 3.07 -1.87 -3.39 114.58 109.51 3d4x h GLU 116 Ca 0.16 0.00 -0.72 0.00 -0.50 0.00 0.00 59.36 58.29 3d4x h GLU 116 Cb 0.51 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 28.35 3d4x h GLU 116 CO 0.02 0.11 2.84 0.34 -1.40 0.00 0.00 179.01 180.93 3d4x n PHE 117 N -3.17 3.22 -2.64 4.33 7.35 -0.61 -4.80 117.46 121.15 3d4x n PHE 117 Ca 0.02 -2.92 -0.26 0.00 -0.76 0.00 0.00 57.45 53.52 3d4x n PHE 117 Cb 0.48 -2.34 0.01 0.00 0.35 0.00 0.00 39.48 37.97 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 2.09 4.43 0.42 -2.13 -4.23 -1.26 -4.84 115.64 110.12 3d4x s THR 118 Ca 0.47 0.03 0.17 0.00 -1.18 0.00 0.00 61.69 61.18 3d4x s THR 118 Cb 0.13 -3.69 0.37 0.00 1.34 0.00 0.00 72.50 70.65 3d4x s THR 118 CO -0.06 -0.66 1.87 -0.65 -0.54 0.00 0.00 174.62 174.58 3d4x h PRO 119 N 0.14 0.40 0.02 3.99 0.11 -1.99 0.12 132.00 134.81 3d4x h PRO 119 Ca -0.46 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 3d4x h PRO 119 Cb 1.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.24 3d4x h PRO 119 CO 0.61 0.27 -0.95 0.00 -0.21 0.00 0.00 178.00 177.72 3d4x h ALA 120 N 1.62 0.43 0.18 -0.75 0.00 -1.96 -2.78 119.26 116.00 3d4x h ALA 120 Ca 0.45 -0.77 -0.31 0.00 0.00 0.00 0.00 54.91 54.28 3d4x h ALA 120 Cb 1.10 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 18.84 3d4x h ALA 120 CO -0.17 0.95 -1.44 0.28 0.00 0.00 0.00 179.25 178.88 3d4x h VAL 121 N 0.10 1.30 -0.36 0.00 2.07 -1.76 -2.87 116.25 114.73 3d4x h VAL 121 Ca -0.06 -2.83 0.08 0.00 0.82 0.00 0.00 66.70 64.71 3d4x h VAL 121 Cb 1.61 2.94 -0.08 0.00 -1.52 0.00 0.00 31.29 34.23 3d4x h VAL 121 CO 0.15 0.85 -0.16 -0.74 0.02 0.00 0.00 177.57 177.68 3d4x h HIS 122 N 0.10 -0.40 -0.57 1.57 6.17 -0.83 0.11 115.15 121.31 3d4x h HIS 122 Ca -0.22 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 60.88 3d4x h HIS 122 Cb 2.07 0.23 -0.03 0.00 2.52 0.00 0.00 27.41 32.21 3d4x h HIS 122 CO 0.09 -0.24 0.27 0.00 0.71 0.00 0.00 177.93 178.76 3d4x h ALA 123 N 1.18 0.73 -0.16 5.26 0.00 -1.58 -1.59 119.26 123.11 3d4x h ALA 123 Ca 0.18 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3d4x h ALA 123 Cb 0.38 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3d4x h ALA 123 CO -0.43 0.30 0.06 0.77 0.00 0.00 0.00 179.25 179.96 3d4x h SER 124 N 0.77 0.22 -0.96 0.00 0.02 -1.19 -1.33 113.55 111.08 3d4x h SER 124 Ca 0.19 -0.16 0.01 0.00 -0.84 0.00 0.00 61.79 60.99 3d4x h SER 124 Cb 0.13 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.57 3d4x h SER 124 CO -0.02 0.32 0.63 -0.07 -1.14 0.00 0.00 176.83 176.54 3d4x h LEU 125 N 0.10 1.11 -0.37 5.07 3.38 -0.74 0.15 115.31 124.00 3d4x h LEU 125 Ca 0.05 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3d4x h LEU 125 Cb 0.17 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3d4x h LEU 125 CO -0.00 0.81 0.20 -0.78 0.09 0.00 0.00 178.44 178.75 3d4x h ASP 126 N 1.30 0.47 -0.61 -0.43 1.82 -1.19 0.37 116.42 118.15 3d4x h ASP 126 Ca 0.35 -0.09 0.05 0.00 -0.39 0.00 0.00 57.03 56.95 3d4x h ASP 126 Cb -0.14 -0.12 -0.05 0.00 0.68 0.00 0.00 39.33 39.70 3d4x h ASP 126 CO -0.07 0.42 0.33 0.11 -1.61 0.00 0.00 179.24 178.42 3d4x h LYS 127 N 0.47 0.61 0.02 0.28 1.57 -0.81 -1.71 116.57 117.00 3d4x h LYS 127 Ca 0.13 -0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.87 3d4x h LYS 127 Cb 0.06 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3d4x h LYS 127 CO -0.02 0.41 -0.01 0.35 -0.57 0.00 0.00 179.45 179.60 3d4x h PHE 128 N 0.63 -0.03 -0.67 -1.35 3.57 -0.48 -1.78 116.94 116.84 3d4x h PHE 128 Ca 0.27 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.76 3d4x h PHE 128 Cb 0.15 0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.87 3d4x h PHE 128 CO -0.08 0.20 0.36 0.74 -2.23 0.00 0.00 178.31 177.29 3d4x h PHE 129 N -0.26 0.90 -0.03 0.41 0.04 -0.19 -1.35 116.94 116.47 3d4x h PHE 129 Ca -0.00 -0.02 -0.18 0.00 2.80 0.00 0.00 57.97 60.58 3d4x h PHE 129 Cb 0.24 -0.29 -0.01 0.00 2.20 0.00 0.00 35.95 38.09 3d4x h PHE 129 CO 0.00 0.63 -0.76 0.66 -0.60 0.00 0.00 178.31 178.25 3d4x h SER 130 N 0.93 0.26 -0.63 2.17 4.64 -1.18 -1.69 113.55 118.04 3d4x h SER 130 Ca 0.24 -0.18 -0.06 0.00 -0.47 0.00 0.00 61.79 61.31 3d4x h SER 130 Cb 0.03 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.02 3d4x h SER 130 CO -0.04 0.92 0.14 0.00 -0.87 0.00 0.00 176.83 176.99 3d4x h ALA 131 N 1.07 0.83 -0.44 5.18 0.00 -1.05 0.16 119.26 125.01 3d4x h ALA 131 Ca -0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.61 3d4x h ALA 131 Cb 1.34 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 3d4x h ALA 131 CO 0.12 0.56 0.14 0.28 0.00 0.00 0.00 179.25 180.34 3d4x h VAL 132 N 0.93 1.22 0.00 0.00 2.07 -1.15 -2.56 116.25 116.77 3d4x h VAL 132 Ca 0.20 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.86 3d4x h VAL 132 Cb 0.37 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3d4x h VAL 132 CO 0.00 0.26 -0.56 0.77 0.02 0.00 0.00 177.57 178.07 3d4x h SER 133 N 0.58 0.00 0.36 0.57 4.64 -1.13 -1.80 113.55 116.77 3d4x h SER 133 Ca 0.14 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.45 3d4x h SER 133 Cb 0.27 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3d4x h SER 133 CO -0.00 0.56 -0.22 0.74 -0.87 0.00 0.00 176.83 177.03 3d4x h THR 134 N 0.00 0.54 -0.94 2.95 2.02 -0.58 -2.77 112.91 114.12 3d4x h THR 134 Ca -0.01 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3d4x h THR 134 Cb 1.01 0.54 -0.06 0.00 -1.74 0.00 0.00 68.15 67.90 3d4x h THR 134 CO 0.07 0.00 0.61 0.58 0.37 0.00 0.00 175.52 177.16 3d4x h VAL 135 N -0.56 1.11 0.00 3.16 2.07 -1.27 -2.91 116.25 117.85 3d4x h VAL 135 Ca -0.04 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.10 3d4x h VAL 135 Cb 0.46 -0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3d4x h VAL 135 CO 0.04 0.20 0.00 -0.07 0.02 0.00 0.00 177.57 177.77 3d4x h LEU 136 N 1.12 0.00 -3.26 2.57 3.38 -1.19 -2.99 115.31 114.95 3d4x h LEU 136 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 3d4x h LEU 136 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 3d4x h LEU 136 CO -0.14 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.74 3d4x n THR 137 N -3.01 2.19 -0.02 0.22 -2.24 -1.06 -3.36 114.28 107.00 3d4x n THR 137 Ca 0.01 -1.67 -0.12 0.00 -2.27 0.00 0.00 64.05 60.00 3d4x n THR 137 Cb 0.34 -0.15 -0.08 0.00 -2.10 0.00 0.00 70.33 68.34 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 2.29 0.14 0.72 3.42 4.64 -1.51 -3.31 113.55 119.93 3d4x h SER 138 Ca 0.00 -0.32 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3d4x h SER 138 Cb 1.45 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.50 3d4x h SER 138 CO 0.24 0.43 0.00 0.29 -0.87 0.00 0.00 176.83 176.92 3d4x n LYS 139 N -4.84 0.01 -1.42 4.77 5.02 -1.26 -4.80 118.16 115.65 3d4x n LYS 139 Ca -0.07 0.13 -0.44 0.00 -2.02 0.00 0.00 58.31 55.91 3d4x n LYS 139 Cb 0.20 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 3d4x n LYS 139 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3d4x n TYR 140 N -1.49 0.68 0.00 2.13 -0.00 -1.22 -4.81 117.16 112.45 3d4x n TYR 140 Ca 0.05 0.46 0.00 0.00 -0.00 0.00 0.00 57.90 58.41 3d4x n TYR 140 Cb 0.25 -2.32 0.00 0.00 -0.00 0.00 0.00 39.34 37.27 3d4x n TYR 140 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.86 177.40