#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d74 n PRO 2 N 0.00 0.68 0.15 0.00 -0.02 -1.26 -4.84 135.00 129.71 3d74 n PRO 2 Ca 0.00 0.26 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 3d74 n PRO 2 Cb 0.00 -1.86 0.53 0.00 -0.02 0.00 0.00 33.50 32.15 3d74 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d74 h ASP 3 N 0.40 0.00 1.48 2.55 3.32 -2.05 -2.92 116.42 119.20 3d74 h ASP 3 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3d74 h ASP 3 Cb 1.39 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.94 3d74 h ASP 3 CO 0.49 0.00 0.00 4.11 -1.72 0.00 0.00 179.24 182.12 3d74 h TRP 4 N 0.00 0.00 -2.66 4.55 5.08 -1.97 -3.47 115.95 117.47 3d74 h TRP 4 Ca 0.00 0.00 -0.53 0.00 1.08 0.00 0.00 58.89 59.44 3d74 h TRP 4 Cb 0.34 0.00 0.03 0.00 -3.00 0.00 0.00 29.16 26.52 3d74 h TRP 4 CO 0.00 0.00 1.01 0.08 -1.28 0.00 0.00 178.44 178.25 3d74 s VAL 5 N -3.12 2.91 0.17 0.12 1.01 -1.10 -4.86 120.40 115.53 3d74 s VAL 5 Ca 0.10 0.40 -0.33 0.00 0.00 0.00 0.00 61.98 62.14 3d74 s VAL 5 Cb 0.12 -3.26 -0.14 0.00 0.00 0.00 0.00 36.38 33.10 3d74 s VAL 5 CO 0.59 0.00 1.48 -2.65 0.00 0.00 0.00 175.10 174.52 3d74 n PRO 6 N 5.52 1.94 -0.35 2.72 -0.02 -1.26 -4.86 135.00 138.69 3d74 n PRO 6 Ca 0.16 0.70 0.24 0.00 -2.02 0.00 0.00 63.50 62.57 3d74 n PRO 6 Cb 0.40 -2.40 0.48 0.00 -0.02 0.00 0.00 33.50 31.95 3d74 n PRO 6 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d74 h PRO 7 N 5.15 0.36 -0.45 0.52 0.11 -1.96 -1.93 132.00 133.80 3d74 h PRO 7 Ca -0.45 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 3d74 h PRO 7 Cb 1.27 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 3d74 h PRO 7 CO 0.83 0.24 0.21 0.93 -0.21 0.00 0.00 178.00 179.99 3d74 h GLU 8 N 0.37 0.62 0.00 1.05 3.07 -2.02 -2.62 114.58 115.06 3d74 h GLU 8 Ca 0.71 -0.07 -0.04 0.00 -0.50 0.00 0.00 59.36 59.45 3d74 h GLU 8 Cb 1.64 -0.12 -0.01 0.00 -0.84 0.00 0.00 28.75 29.42 3d74 h GLU 8 CO -0.52 0.50 -0.18 -0.24 -1.40 0.00 0.00 179.01 177.17 3d74 h VAL 9 N 0.63 0.68 -0.66 3.13 3.04 -1.71 -1.21 116.25 120.13 3d74 h VAL 9 Ca 0.16 -0.77 -0.02 0.00 -1.01 0.00 0.00 66.70 65.05 3d74 h VAL 9 Cb 0.08 1.49 -0.03 0.00 -2.01 0.00 0.00 31.29 30.82 3d74 h VAL 9 CO -0.02 0.18 0.33 -0.26 -1.01 0.00 0.00 177.57 176.78 3d74 h PHE 10 N 0.00 0.95 -0.03 3.17 -1.00 -1.60 -1.02 116.94 117.41 3d74 h PHE 10 Ca -0.00 -0.04 -0.24 0.00 2.81 0.00 0.00 57.97 60.49 3d74 h PHE 10 Cb 0.47 -0.30 0.01 0.00 3.61 0.00 0.00 35.95 39.75 3d74 h PHE 10 CO 0.00 0.70 -0.95 -0.44 -1.61 0.00 0.00 178.31 176.01 3d74 h ASP 11 N 0.92 0.78 -0.68 2.17 3.32 -1.55 -3.18 116.42 118.19 3d74 h ASP 11 Ca 0.23 -0.60 -0.07 0.00 0.02 0.00 0.00 57.03 56.61 3d74 h ASP 11 Cb 0.10 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.39 3d74 h ASP 11 CO -0.03 1.39 0.15 0.25 -1.72 0.00 0.00 179.24 179.28 3d74 h LEU 12 N 0.36 1.05 0.00 1.55 5.85 -1.00 -2.59 115.31 120.53 3d74 h LEU 12 Ca -0.10 -0.24 0.00 0.00 0.84 0.00 0.00 57.88 58.38 3d74 h LEU 12 Cb 1.59 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 42.34 3d74 h LEU 12 CO 0.18 1.02 -0.15 1.33 -0.34 0.00 0.00 178.44 180.48 3d74 n VAL 13 N -4.25 0.08 -0.29 1.05 0.24 -0.41 -4.38 118.33 110.37 3d74 n VAL 13 Ca 0.05 -0.04 0.07 0.00 -2.04 0.00 0.00 64.34 62.37 3d74 n VAL 13 Cb 0.27 -0.32 0.22 0.00 -1.47 0.00 0.00 33.84 32.54 3d74 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d74 h ALA 14 N 2.92 1.25 0.13 2.33 0.00 -1.44 0.53 119.26 124.99 3d74 h ALA 14 Ca 0.00 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3d74 h ALA 14 Cb 0.54 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.32 3d74 h ALA 14 CO 0.00 -0.09 -0.06 1.49 0.00 0.00 0.00 179.25 180.58 3d74 h GLU 15 N 0.61 -0.17 0.00 0.00 4.81 -1.78 -3.00 114.58 115.05 3d74 h GLU 15 Ca 0.45 0.01 -0.10 0.00 -0.13 0.00 0.00 59.36 59.60 3d74 h GLU 15 Cb 0.64 0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 3d74 h GLU 15 CO -0.36 0.07 -0.47 -0.44 -0.73 0.00 0.00 179.01 177.08 3d74 h ASP 16 N -0.40 0.00 0.10 1.04 3.32 -1.68 -2.65 116.42 116.16 3d74 h ASP 16 Ca -0.02 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.05 3d74 h ASP 16 Cb 0.32 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.82 3d74 h ASP 16 CO 0.03 0.47 -0.43 0.50 -1.72 0.00 0.00 179.24 178.09 3d74 h LYS 17 N 0.00 -0.63 -0.22 3.56 3.64 0.07 0.21 116.57 123.20 3d74 h LYS 17 Ca -0.00 0.04 0.03 0.00 -1.27 0.00 0.00 60.65 59.45 3d74 h LYS 17 Cb 1.16 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 3d74 h LYS 17 CO 0.06 -0.42 0.03 0.00 -2.27 0.00 0.00 179.45 176.85 3d74 h ALA 18 N -0.20 0.21 -0.44 5.00 0.00 -1.36 0.83 119.26 123.30 3d74 h ALA 18 Ca 0.02 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3d74 h ALA 18 Cb 0.69 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 3d74 h ALA 18 CO -0.26 -0.40 0.23 -0.09 0.00 0.00 0.00 179.25 178.73 3d74 h ARG 19 N 0.11 0.62 -0.44 0.00 2.43 -1.31 -1.47 114.38 114.32 3d74 h ARG 19 Ca 0.10 -0.08 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 3d74 h ARG 19 Cb 0.11 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.53 3d74 h ARG 19 CO -0.15 0.51 -0.22 0.00 -1.51 0.00 0.00 179.97 178.60 3d74 h MET 21 N 0.75 0.74 -0.37 0.00 2.86 -0.77 -2.32 114.93 115.82 3d74 h MET 21 Ca 0.10 -0.12 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3d74 h MET 21 Cb 0.79 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 32.30 3d74 h MET 21 CO 0.07 0.63 0.22 1.03 1.06 0.00 0.00 176.91 179.91 3d74 h SER 22 N 0.67 0.45 -0.47 1.22 0.87 -1.14 0.15 113.55 115.30 3d74 h SER 22 Ca 0.17 -0.06 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3d74 h SER 22 Cb 0.14 -0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 3d74 h SER 22 CO -0.02 0.38 0.24 -0.33 -0.53 0.00 0.00 176.83 176.57 3d74 h GLU 23 N 0.48 0.71 -0.14 2.24 5.08 -1.01 -3.22 114.58 118.72 3d74 h GLU 23 Ca 0.13 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 3d74 h GLU 23 Cb 0.02 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3d74 h GLU 23 CO -0.02 0.56 0.00 0.72 -1.00 0.00 0.00 179.01 179.27 3d74 n HIS 24 N -4.37 0.17 -1.56 4.33 8.25 -0.88 -4.98 115.22 116.18 3d74 n HIS 24 Ca 0.04 -0.14 -0.12 0.00 -0.26 0.00 0.00 57.72 57.24 3d74 n HIS 24 Cb 0.13 -0.01 -0.04 0.00 1.12 0.00 0.00 29.99 31.19 3d74 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d74 n GLY 25 N 0.81 0.93 3.77 -1.41 0.00 -0.05 -4.21 105.19 105.03 3d74 n GLY 25 Ca 0.10 -0.47 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 3d74 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d74 s THR 26 N -2.47 2.99 0.19 2.61 2.01 -0.68 -4.96 115.64 115.33 3d74 s THR 26 Ca 0.00 0.98 0.07 0.00 0.31 0.00 0.00 61.69 63.05 3d74 s THR 26 Cb 0.00 -3.62 -0.04 0.00 0.01 0.00 0.00 72.50 68.86 3d74 s THR 26 CO 0.00 0.22 0.07 0.42 -0.69 0.00 0.00 174.62 174.64 3d74 s THR 27 N -1.18 4.04 0.41 -0.82 -4.23 -1.26 -4.79 115.64 107.81 3d74 s THR 27 Ca 0.49 -1.35 0.15 0.00 -1.18 0.00 0.00 61.69 59.80 3d74 s THR 27 Cb -0.36 -3.07 0.36 0.00 1.34 0.00 0.00 72.50 70.77 3d74 s THR 27 CO 0.48 -0.16 1.88 -0.61 -0.54 0.00 0.00 174.62 175.67 3d74 h GLN 28 N 2.40 0.44 -0.43 3.99 5.75 -2.01 -2.59 115.11 122.66 3d74 h GLN 28 Ca -0.47 -0.03 -0.08 0.00 -0.15 0.00 0.00 58.65 57.92 3d74 h GLN 28 Cb 1.21 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.65 3d74 h GLN 28 CO 0.60 0.29 -0.06 0.00 -2.65 0.00 0.00 178.83 177.02 3d74 h ALA 29 N 1.62 0.59 -0.74 3.38 0.00 -1.99 -1.24 119.26 120.89 3d74 h ALA 29 Ca 0.43 -0.30 0.12 0.00 0.00 0.00 0.00 54.91 55.16 3d74 h ALA 29 Cb 0.97 -0.16 -0.08 0.00 0.00 0.00 0.00 17.79 18.52 3d74 h ALA 29 CO -0.16 0.43 0.33 1.96 0.00 0.00 0.00 179.25 181.81 3d74 h GLN 30 N 0.63 0.51 0.06 0.00 4.20 -1.89 0.14 115.11 118.76 3d74 h GLN 30 Ca 0.11 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.79 3d74 h GLN 30 Cb 0.58 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.24 3d74 h GLN 30 CO 0.03 0.34 -0.03 0.82 -0.67 0.00 0.00 178.83 179.32 3d74 h ILE 31 N 0.52 1.06 -0.96 2.54 2.04 -1.38 -3.04 117.51 118.30 3d74 h ILE 31 Ca 0.39 -0.42 0.07 0.00 1.00 0.00 0.00 64.86 65.89 3d74 h ILE 31 Cb 0.51 1.34 -0.06 0.00 -0.74 0.00 0.00 36.82 37.87 3d74 h ILE 31 CO -0.34 0.11 0.62 0.44 0.00 0.00 0.00 178.15 178.98 3d74 h ASP 32 N -0.27 0.97 -0.97 1.72 3.32 -0.66 -2.16 116.42 118.37 3d74 h ASP 32 Ca -0.01 0.01 0.24 0.00 0.02 0.00 0.00 57.03 57.29 3d74 h ASP 32 Cb 0.24 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.52 3d74 h ASP 32 CO 0.01 0.62 0.64 0.44 -1.72 0.00 0.00 179.24 179.23 3d74 h ASP 33 N 1.10 0.39 0.19 6.45 3.32 -0.87 -3.25 116.42 123.76 3d74 h ASP 33 Ca 0.42 0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 3d74 h ASP 33 Cb 0.20 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 39.74 3d74 h ASP 33 CO -0.17 0.12 -0.09 0.58 -1.72 0.00 0.00 179.24 177.97 3d74 h VAL 34 N 0.38 0.89 -1.34 -1.35 2.07 -1.41 -1.86 116.25 113.63 3d74 h VAL 34 Ca 0.52 -0.45 0.39 0.00 0.82 0.00 0.00 66.70 67.98 3d74 h VAL 34 Cb 1.36 1.16 -0.08 0.00 -1.52 0.00 0.00 31.29 32.21 3d74 h VAL 34 CO -0.21 0.10 0.92 0.00 0.02 0.00 0.00 177.57 178.40 3d74 h ALA 35 N 0.27 2.97 -0.04 1.67 0.00 -1.72 0.36 119.26 122.77 3d74 h ALA 35 Ca -0.03 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3d74 h ALA 35 Cb 0.37 0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3d74 h ALA 35 CO 0.04 -1.44 0.00 1.63 0.00 0.00 0.00 179.25 179.48 3d74 n LYS 36 N -4.37 1.32 -2.54 0.00 5.02 -1.04 -4.88 118.16 111.66 3d74 n LYS 36 Ca 0.32 -0.47 -0.02 0.00 -2.02 0.00 0.00 58.31 56.12 3d74 n LYS 36 Cb 1.36 -1.43 0.01 0.00 -0.02 0.00 0.00 35.03 34.95 3d74 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d74 n GLY 37 N 1.02 0.74 1.43 0.72 0.00 0.13 -4.98 105.19 104.24 3d74 n GLY 37 Ca 0.19 -0.56 -0.05 0.00 0.00 0.00 0.00 46.02 45.60 3d74 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3d74 n ASN 38 N 0.70 2.72 -4.71 1.61 5.03 -0.73 -5.04 115.26 114.85 3d74 n ASN 38 Ca -0.00 -3.43 -0.42 0.00 0.87 0.00 0.00 54.58 51.59 3d74 n ASN 38 Cb 0.51 -0.43 -0.03 0.00 -1.02 0.00 0.00 39.78 38.81 3d74 n ASN 38 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3d74 s LEU 39 N -3.02 4.37 0.09 3.41 2.96 -1.26 -4.66 118.68 120.56 3d74 s LEU 39 Ca 0.41 2.65 0.06 0.00 -0.22 0.00 0.00 54.13 57.03 3d74 s LEU 39 Cb 0.38 -3.58 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 3d74 s LEU 39 CO -0.04 -0.89 -0.09 0.68 -1.32 0.00 0.00 176.35 174.68 3d74 s VAL 40 N 1.78 3.43 -1.34 1.68 -7.23 -1.26 -5.04 120.40 112.42 3d74 s VAL 40 Ca 0.74 -1.18 -0.16 0.00 -1.81 0.00 0.00 61.98 59.57 3d74 s VAL 40 Cb -0.44 -2.59 0.08 0.00 0.56 0.00 0.00 36.38 33.99 3d74 s VAL 40 CO 0.32 0.16 1.87 -3.20 -0.31 0.00 0.00 175.10 173.95 3d74 n ASN 41 N 0.84 4.64 -3.99 4.85 5.15 -1.26 -4.64 115.26 120.85 3d74 n ASN 41 Ca -0.14 -2.91 -0.23 0.00 -0.60 0.00 0.00 54.58 50.70 3d74 n ASN 41 Cb 0.52 -1.69 -0.16 0.00 -0.53 0.00 0.00 39.78 37.92 3d74 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d74 s GLU 42 N 3.46 1.46 0.46 1.20 0.41 -1.26 -5.04 118.70 119.39 3d74 s GLU 42 Ca 0.50 -0.33 0.20 0.00 -0.41 0.00 0.00 54.97 54.93 3d74 s GLU 42 Cb 0.07 -1.25 1.17 0.00 -1.78 0.00 0.00 34.13 32.34 3d74 s GLU 42 CO 0.02 -0.00 1.91 -1.35 -0.49 0.00 0.00 175.26 175.35 3d74 h PRO 43 N 7.02 0.28 -0.62 0.39 0.11 -1.96 0.76 132.00 137.97 3d74 h PRO 43 Ca -0.33 -0.02 0.08 0.00 0.11 0.00 0.00 66.00 65.85 3d74 h PRO 43 Cb 1.18 -0.06 -0.04 0.00 0.11 0.00 0.00 31.00 32.19 3d74 h PRO 43 CO 0.47 0.19 0.42 0.66 -0.21 0.00 0.00 178.00 179.53 3d74 h SER 44 N 0.29 0.46 0.01 -2.05 4.64 -1.93 0.11 113.55 115.07 3d74 h SER 44 Ca 0.38 0.01 -0.41 0.00 -0.47 0.00 0.00 61.79 61.30 3d74 h SER 44 Cb 1.05 -0.09 -0.07 0.00 -0.31 0.00 0.00 62.40 62.99 3d74 h SER 44 CO -0.10 0.29 -2.44 0.00 -0.87 0.00 0.00 176.83 173.71 3d74 n ILE 45 N -4.48 1.52 -0.16 0.95 0.13 0.09 -3.78 119.36 113.62 3d74 n ILE 45 Ca 0.10 -0.50 -0.11 0.00 -1.10 0.00 0.00 62.75 61.13 3d74 n ILE 45 Cb 0.31 -1.60 -0.00 0.00 -0.84 0.00 0.00 39.64 37.51 3d74 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d74 h THR 46 N -0.34 1.27 0.00 9.51 1.35 -1.08 -1.88 112.91 121.74 3d74 h THR 46 Ca -0.61 -1.37 -0.10 0.00 -0.55 0.00 0.00 66.41 63.78 3d74 h THR 46 Cb 1.80 1.11 -0.01 0.00 -1.73 0.00 0.00 68.15 69.32 3d74 h THR 46 CO -0.19 0.47 -0.49 0.00 -0.25 0.00 0.00 175.52 175.06 3d74 h TYR 48 N 0.00 0.53 -0.61 0.00 3.20 -1.54 0.50 116.97 119.05 3d74 h TYR 48 Ca -0.00 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.83 3d74 h TYR 48 Cb 1.06 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.14 3d74 h TYR 48 CO 0.00 0.48 0.40 0.52 -1.64 0.00 0.00 178.16 177.92 3d74 h MET 49 N 0.42 0.82 -0.67 1.82 2.86 -1.20 -0.78 114.93 118.20 3d74 h MET 49 Ca 0.12 -0.06 0.07 0.00 -2.06 0.00 0.00 59.70 57.77 3d74 h MET 49 Cb 0.17 -0.18 -0.06 0.00 0.06 0.00 0.00 31.60 31.59 3d74 h MET 49 CO -0.01 0.55 0.37 -0.92 1.06 0.00 0.00 176.91 177.96 3d74 h TYR 50 N 0.83 0.67 -0.54 -0.22 3.20 -1.25 -1.09 116.97 118.57 3d74 h TYR 50 Ca 0.22 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.09 3d74 h TYR 50 Cb -0.08 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 37.97 3d74 h TYR 50 CO -0.03 0.30 0.22 0.00 -1.64 0.00 0.00 178.16 177.02 3d74 h LEU 52 N 0.74 0.73 -0.90 0.00 5.85 -1.00 -1.77 115.31 118.97 3d74 h LEU 52 Ca 0.18 -0.26 -0.03 0.00 0.84 0.00 0.00 57.88 58.61 3d74 h LEU 52 Cb 0.19 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 3d74 h LEU 52 CO -0.02 0.80 0.40 -0.07 -0.34 0.00 0.00 178.44 179.22 3d74 h LEU 53 N 0.63 1.08 -0.52 2.25 3.38 -0.75 -2.66 115.31 118.72 3d74 h LEU 53 Ca 0.14 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 3d74 h LEU 53 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3d74 h LEU 53 CO 0.01 0.91 -0.34 -0.08 0.09 0.00 0.00 178.44 179.03 3d74 h GLU 54 N 1.18 0.83 -0.04 1.13 4.22 -0.88 0.44 114.58 121.47 3d74 h GLU 54 Ca 0.29 -0.41 0.01 0.00 0.08 0.00 0.00 59.36 59.33 3d74 h GLU 54 Cb 0.12 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.36 3d74 h GLU 54 CO -0.04 1.04 0.03 0.00 -2.18 0.00 0.00 179.01 177.87 3d74 h ALA 55 N 0.92 1.96 -0.60 2.92 0.00 -0.99 0.17 119.26 123.63 3d74 h ALA 55 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 3d74 h ALA 55 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.69 3d74 h ALA 55 CO 0.08 -0.05 0.00 1.19 0.00 0.00 0.00 179.25 180.47 3d74 n PHE 56 N -4.41 1.67 -3.15 0.00 3.72 -0.99 -4.93 117.46 109.36 3d74 n PHE 56 Ca -0.02 -0.62 -0.23 0.00 -0.05 0.00 0.00 57.45 56.53 3d74 n PHE 56 Cb 0.13 -0.34 0.02 0.00 -0.94 0.00 0.00 39.48 38.35 3d74 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d74 n SER 57 N 0.89 -5.09 0.01 4.37 7.64 0.58 -4.88 113.62 117.13 3d74 n SER 57 Ca 0.26 -0.32 0.11 0.00 1.01 0.00 0.00 58.87 59.92 3d74 n SER 57 Cb 0.98 -4.15 -0.04 0.00 -1.01 0.00 0.00 64.21 59.99 3d74 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d74 n LEU 58 N -3.89 0.70 -4.19 -3.43 4.77 0.15 -4.77 117.00 106.33 3d74 n LEU 58 Ca -0.07 -0.24 -0.18 0.00 -0.03 0.00 0.00 56.01 55.49 3d74 n LEU 58 Cb 0.59 -0.06 -0.12 0.00 -2.33 0.00 0.00 43.42 41.51 3d74 n LEU 58 CO 0.49 0.15 -0.45 0.68 -1.33 0.00 0.00 177.39 176.92 3d74 s VAL 59 N -3.12 1.16 0.14 4.08 -7.23 -1.22 -0.13 120.40 114.08 3d74 s VAL 59 Ca 0.05 -1.47 0.02 0.00 -1.81 0.00 0.00 61.98 58.76 3d74 s VAL 59 Cb 0.15 -1.25 0.03 0.00 0.56 0.00 0.00 36.38 35.87 3d74 s VAL 59 CO 0.84 -0.32 0.20 -0.90 -0.31 0.00 0.00 175.10 174.61 3d74 n ASP 60 N 0.96 0.43 0.00 4.85 5.75 -0.98 -4.60 116.55 122.97 3d74 n ASP 60 Ca -0.19 -1.33 0.05 0.00 -0.01 0.00 0.00 54.79 53.31 3d74 n ASP 60 Cb 0.55 -0.11 0.23 0.00 -1.03 0.00 0.00 41.12 40.76 3d74 n ASP 60 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3d74 n ASP 61 N -2.89 0.00 -0.51 -1.12 8.00 -1.26 -1.49 116.55 117.28 3d74 n ASP 61 Ca 0.04 0.34 0.08 0.00 0.71 0.00 0.00 54.79 55.96 3d74 n ASP 61 Cb 0.14 -0.41 0.18 0.00 -0.02 0.00 0.00 41.12 41.01 3d74 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d74 n GLU 62 N -1.41 2.45 -2.68 -1.24 1.02 -1.26 -4.98 120.64 112.54 3d74 n GLU 62 Ca 0.03 -2.48 -0.18 0.00 -0.02 0.00 0.00 57.16 54.52 3d74 n GLU 62 Cb 0.10 -1.55 0.00 0.00 -0.02 0.00 0.00 31.44 29.97 3d74 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d74 n ALA 63 N -0.61 -0.82 -2.36 0.62 0.00 -0.56 -4.88 120.51 111.89 3d74 n ALA 63 Ca 0.16 0.14 -0.42 0.00 0.00 0.00 0.00 53.44 53.32 3d74 n ALA 63 Cb 0.67 -2.24 -0.03 0.00 0.00 0.00 0.00 19.45 17.85 3d74 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d74 s ASN 64 N -2.25 6.99 0.01 0.00 0.01 -1.26 -4.72 114.94 113.70 3d74 s ASN 64 Ca 0.11 1.99 -0.21 0.00 -0.71 0.00 0.00 52.86 54.04 3d74 s ASN 64 Cb -0.06 -2.57 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 3d74 s ASN 64 CO 0.14 -0.60 0.62 -0.69 -1.51 0.00 0.00 177.10 175.07 3d74 s VAL 65 N 1.89 4.87 -0.92 1.60 1.01 -1.26 -2.32 120.40 125.27 3d74 s VAL 65 Ca 0.59 1.31 -0.24 0.00 0.00 0.00 0.00 61.98 63.64 3d74 s VAL 65 Cb -0.29 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.16 3d74 s VAL 65 CO 0.26 0.42 1.51 -0.62 0.00 0.00 0.00 175.10 176.66 3d74 s ASP 66 N -0.22 6.16 0.22 3.32 -1.08 0.81 -4.85 116.67 121.03 3d74 s ASP 66 Ca 0.32 -1.01 -0.08 0.00 -0.52 0.00 0.00 52.55 51.26 3d74 s ASP 66 Cb -0.19 -2.56 0.17 0.00 -1.46 0.00 0.00 42.92 38.88 3d74 s ASP 66 CO 0.18 -1.81 1.80 -0.08 0.52 0.00 0.00 175.17 175.78 3d74 h GLU 67 N 10.36 1.20 -0.42 4.34 4.81 -1.95 -1.28 114.58 131.64 3d74 h GLU 67 Ca 0.05 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.05 3d74 h GLU 67 Cb 1.03 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 30.18 3d74 h GLU 67 CO 1.35 0.94 0.13 -0.44 -0.73 0.00 0.00 179.01 180.26 3d74 h ASP 68 N 1.17 0.62 0.03 1.04 3.32 -1.99 -0.41 116.42 120.20 3d74 h ASP 68 Ca 0.28 -0.21 -0.17 0.00 0.02 0.00 0.00 57.03 56.95 3d74 h ASP 68 Cb 0.16 -0.16 0.02 0.00 0.22 0.00 0.00 39.33 39.56 3d74 h ASP 68 CO -0.03 0.66 -0.68 0.40 -1.72 0.00 0.00 179.24 177.88 3d74 h ILE 69 N 0.54 1.44 -0.48 0.35 1.08 -1.96 -1.06 117.51 117.41 3d74 h ILE 69 Ca 0.14 -2.20 0.10 0.00 -0.39 0.00 0.00 64.86 62.51 3d74 h ILE 69 Cb 0.27 2.73 -0.10 0.00 -3.07 0.00 0.00 36.82 36.66 3d74 h ILE 69 CO -0.00 0.64 -0.16 -0.03 -0.69 0.00 0.00 178.15 177.90 3d74 h MET 70 N -0.14 -0.05 -0.38 2.37 4.05 -1.10 -0.98 114.93 118.70 3d74 h MET 70 Ca -0.09 0.00 -0.10 0.00 -0.28 0.00 0.00 59.70 59.23 3d74 h MET 70 Cb 1.41 0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 32.21 3d74 h MET 70 CO 0.13 -0.03 -0.16 -0.07 0.23 0.00 0.00 176.91 177.02 3d74 h LEU 71 N -0.05 0.70 -1.45 3.39 3.38 -1.06 -3.08 115.31 117.14 3d74 h LEU 71 Ca 0.23 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 3d74 h LEU 71 Cb 0.40 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3d74 h LEU 71 CO -0.52 0.87 -0.25 1.23 0.09 0.00 0.00 178.44 179.85 3d74 h GLY 72 N 0.98 0.00 1.84 0.83 0.00 -0.47 -2.77 103.07 103.47 3d74 h GLY 72 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3d74 h GLY 72 CO 0.04 0.00 -0.13 1.41 0.00 0.00 0.00 176.54 177.87 3d74 h LEU 73 N 0.00 0.00 -9.99 3.11 3.38 -1.11 -3.46 115.31 107.24 3d74 h LEU 73 Ca -0.00 -0.03 -0.47 0.00 0.09 0.00 0.00 57.88 57.46 3d74 h LEU 73 Cb 0.58 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 3d74 h LEU 73 CO 0.03 0.02 0.24 -0.76 0.09 0.00 0.00 178.44 178.05 3d74 s LEU 74 N -4.79 4.10 0.89 1.67 1.43 -1.05 -5.03 118.68 115.90 3d74 s LEU 74 Ca 0.09 1.55 -0.10 0.00 -1.03 0.00 0.00 54.13 54.64 3d74 s LEU 74 Cb 0.11 -4.18 0.13 0.00 0.03 0.00 0.00 46.19 42.28 3d74 s LEU 74 CO 0.63 -0.21 1.14 -2.84 0.23 0.00 0.00 176.35 175.31 3d74 s PRO 75 N -2.76 1.22 0.19 1.29 0.02 -1.26 -4.54 135.00 129.15 3d74 s PRO 75 Ca 0.55 1.50 -0.24 0.00 0.02 0.00 0.00 61.00 62.83 3d74 s PRO 75 Cb -0.12 -1.75 0.08 0.00 0.02 0.00 0.00 34.50 32.73 3d74 s PRO 75 CO 0.17 -2.47 1.56 -0.44 -0.33 0.00 0.00 177.00 175.49 3d74 h ASP 76 N -1.73 -1.58 0.03 2.53 5.19 -1.95 0.88 116.42 119.79 3d74 h ASP 76 Ca -0.43 0.28 -0.11 0.00 -0.62 0.00 0.00 57.03 56.15 3d74 h ASP 76 Cb 1.26 0.75 -0.01 0.00 0.18 0.00 0.00 39.33 41.51 3d74 h ASP 76 CO 0.43 -0.30 -0.33 1.56 -3.12 0.00 0.00 179.24 177.48 3d74 h GLN 77 N -0.12 0.43 -0.14 3.56 4.20 -2.01 -2.26 115.11 118.78 3d74 h GLN 77 Ca 0.23 -0.18 -0.18 0.00 0.06 0.00 0.00 58.65 58.57 3d74 h GLN 77 Cb 0.55 -0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.31 3d74 h GLN 77 CO -0.82 0.71 -0.66 -0.07 -0.67 0.00 0.00 178.83 177.31 3d74 h LEU 78 N 0.37 0.64 -0.38 1.46 -0.00 -1.42 -2.79 115.31 113.19 3d74 h LEU 78 Ca 0.04 -0.39 0.04 0.00 -0.00 0.00 0.00 57.88 57.57 3d74 h LEU 78 Cb 0.76 -0.19 -0.04 0.00 -0.00 0.00 0.00 40.66 41.19 3d74 h LEU 78 CO 0.06 1.13 0.16 -0.61 -0.00 0.00 0.00 178.44 179.18 3d74 h GLN 79 N 0.40 0.32 -0.38 1.13 4.15 -0.67 0.32 115.11 120.38 3d74 h GLN 79 Ca -0.02 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.38 3d74 h GLN 79 Cb 1.24 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 28.84 3d74 h GLN 79 CO 0.12 0.21 0.24 1.49 -1.93 0.00 0.00 178.83 178.96 3d74 h GLU 80 N 0.33 0.51 -0.44 1.69 4.81 -1.35 -1.47 114.58 118.66 3d74 h GLU 80 Ca 0.17 -0.04 -0.11 0.00 -0.13 0.00 0.00 59.36 59.25 3d74 h GLU 80 Cb 0.11 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3d74 h GLU 80 CO -0.15 0.36 -0.17 0.00 -0.73 0.00 0.00 179.01 178.32 3d74 h ARG 81 N 0.50 0.86 -0.03 1.92 3.08 -1.20 -3.00 114.38 116.51 3d74 h ARG 81 Ca 0.14 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.75 3d74 h ARG 81 Cb -0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 29.96 3d74 h ARG 81 CO -0.03 0.96 -0.49 0.00 -1.07 0.00 0.00 179.97 179.35 3d74 h ALA 82 N 1.04 1.13 0.11 0.04 0.00 -0.19 -3.15 119.26 118.25 3d74 h ALA 82 Ca 0.11 -0.45 0.01 0.00 0.00 0.00 0.00 54.91 54.58 3d74 h ALA 82 Cb 0.70 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 3d74 h ALA 82 CO 0.05 0.63 -0.17 0.37 0.00 0.00 0.00 179.25 180.13 3d74 h GLN 83 N 0.07 -0.33 0.81 0.00 4.15 -1.12 0.71 115.11 119.41 3d74 h GLN 83 Ca 0.00 0.02 -0.04 0.00 0.77 0.00 0.00 58.65 59.41 3d74 h GLN 83 Cb 0.89 0.07 -0.00 0.00 0.21 0.00 0.00 27.48 28.65 3d74 h GLN 83 CO 0.07 -0.22 -0.47 1.03 -1.93 0.00 0.00 178.83 177.31 3d74 h SER 84 N -0.34 -1.17 -0.89 -0.69 0.87 -1.67 -0.88 113.55 108.78 3d74 h SER 84 Ca 0.02 0.06 0.17 0.00 -1.23 0.00 0.00 61.79 60.80 3d74 h SER 84 Cb 0.35 0.33 -0.10 0.00 -0.44 0.00 0.00 62.40 62.54 3d74 h SER 84 CO -0.08 -0.74 0.48 0.58 -0.53 0.00 0.00 176.83 176.53 3d74 h VAL 85 N -1.19 0.69 0.00 2.23 2.07 -1.45 -1.63 116.25 116.98 3d74 h VAL 85 Ca -0.11 -0.22 -0.18 0.00 0.82 0.00 0.00 66.70 67.02 3d74 h VAL 85 Cb 0.95 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.70 3d74 h VAL 85 CO 0.13 0.12 -0.83 0.24 0.02 0.00 0.00 177.57 177.24 3d74 h MET 86 N 0.63 0.02 -0.89 1.57 2.86 0.56 0.45 114.93 120.13 3d74 h MET 86 Ca 0.50 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 58.21 3d74 h MET 86 Cb 0.76 0.01 -0.06 0.00 0.06 0.00 0.00 31.60 32.36 3d74 h MET 86 CO -0.39 0.84 0.58 0.78 1.06 0.00 0.00 176.91 179.78 3d74 h GLY 87 N 2.42 1.30 0.22 8.32 0.00 -0.23 0.40 103.07 115.50 3d74 h GLY 87 Ca -0.01 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 3d74 h GLY 87 CO 0.11 0.22 -0.05 1.70 0.00 0.00 0.00 176.54 178.52 3d74 h LYS 88 N 0.92 -0.13 0.00 4.80 3.64 -0.91 -3.36 116.57 121.52 3d74 h LYS 88 Ca 0.41 0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.80 3d74 h LYS 88 Cb 0.36 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3d74 h LYS 88 CO -0.17 0.33 0.00 0.00 -2.27 0.00 0.00 179.45 177.34 3d74 s LEU 90 N -2.37 2.22 0.67 0.00 1.43 0.12 -4.33 118.68 116.43 3d74 s LEU 90 Ca 0.35 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 3d74 s LEU 90 Cb 0.21 -1.12 -0.00 0.00 0.03 0.00 0.00 46.19 45.31 3d74 s LEU 90 CO 0.42 0.18 1.06 -2.16 0.23 0.00 0.00 176.35 176.08 3d74 s PRO 91 N -1.52 3.03 0.65 1.29 0.04 -1.26 -4.76 135.00 132.46 3d74 s PRO 91 Ca 0.10 1.02 -0.15 0.00 0.04 0.00 0.00 61.00 62.01 3d74 s PRO 91 Cb -0.10 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.44 3d74 s PRO 91 CO 0.03 -1.03 1.09 0.95 0.04 0.00 0.00 177.00 178.09 3d74 s THR 92 N -2.90 3.43 0.02 1.26 -4.23 -1.26 -5.06 115.64 106.89 3d74 s THR 92 Ca 0.59 0.65 -0.12 0.00 -1.18 0.00 0.00 61.69 61.64 3d74 s THR 92 Cb -0.14 -3.18 0.01 0.00 1.34 0.00 0.00 72.50 70.53 3d74 s THR 92 CO 0.50 -0.42 0.25 -0.94 -0.54 0.00 0.00 174.62 173.47 3d74 s SER 93 N -2.71 -0.08 0.00 3.99 1.04 -1.26 -5.02 113.70 109.67 3d74 s SER 93 Ca 0.66 -0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.93 3d74 s SER 93 Cb -0.19 0.30 0.00 0.00 0.10 0.00 0.00 66.02 66.23 3d74 s SER 93 CO 0.41 -0.50 0.00 0.61 0.98 0.00 0.00 173.24 174.74 3d74 n GLY 94 N 0.99 1.25 0.11 7.32 0.00 -1.26 -4.26 105.19 109.34 3d74 n GLY 94 Ca -0.20 -1.28 -0.12 0.00 0.00 0.00 0.00 46.02 44.42 3d74 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d74 h SER 95 N 0.00 0.32 -5.59 1.61 4.64 -2.00 -3.46 113.55 109.07 3d74 h SER 95 Ca 0.00 -0.31 -0.32 0.00 -0.47 0.00 0.00 61.79 60.69 3d74 h SER 95 Cb 0.00 -0.10 -0.08 0.00 -0.31 0.00 0.00 62.40 61.91 3d74 h SER 95 CO 0.00 1.18 -0.21 1.51 -0.87 0.00 0.00 176.83 178.44 3d74 s ASP 96 N -7.01 1.12 0.28 4.97 1.47 -1.26 -5.04 116.67 111.20 3d74 s ASP 96 Ca -0.03 -1.57 -0.02 0.00 1.18 0.00 0.00 52.55 52.11 3d74 s ASP 96 Cb 0.09 0.67 0.38 0.00 -0.34 0.00 0.00 42.92 43.72 3d74 s ASP 96 CO 0.86 -1.30 1.83 0.78 0.68 0.00 0.00 175.17 178.01 3d74 h ASN 97 N 2.08 0.82 0.01 2.11 2.35 -1.91 -0.42 115.58 120.61 3d74 h ASN 97 Ca -0.28 -0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.34 3d74 h ASN 97 Cb 1.24 -0.21 0.00 0.00 0.05 0.00 0.00 38.32 39.40 3d74 h ASN 97 CO 0.38 0.78 -0.01 0.00 -1.65 0.00 0.00 177.43 176.93 3d74 h ASN 99 N -0.53 0.88 -0.69 0.00 4.21 -1.88 0.00 115.58 117.57 3d74 h ASN 99 Ca -0.00 0.04 0.06 0.00 1.21 0.00 0.00 56.30 57.61 3d74 h ASN 99 Cb 0.51 -0.14 -0.06 0.00 -1.12 0.00 0.00 38.32 37.52 3d74 h ASN 99 CO 0.00 0.48 0.39 0.11 -1.29 0.00 0.00 177.43 177.12 3d74 h LYS 100 N 0.94 0.70 -0.28 0.81 1.57 -0.97 0.20 116.57 119.54 3d74 h LYS 100 Ca 0.47 -0.04 -0.17 0.00 -1.87 0.00 0.00 60.65 59.05 3d74 h LYS 100 Cb 0.49 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.64 3d74 h LYS 100 CO -0.24 0.46 -0.49 0.82 -0.57 0.00 0.00 179.45 179.44 3d74 h ILE 101 N 0.72 1.29 -0.18 1.86 1.08 -0.67 -1.54 117.51 120.07 3d74 h ILE 101 Ca 0.31 -1.68 0.00 0.00 -0.39 0.00 0.00 64.86 63.10 3d74 h ILE 101 Cb 0.19 1.59 -0.01 0.00 -3.07 0.00 0.00 36.82 35.52 3d74 h ILE 101 CO -0.18 0.54 0.12 0.22 -0.69 0.00 0.00 178.15 178.16 3d74 h TYR 102 N 0.61 0.23 -0.79 1.37 3.20 -0.73 0.89 116.97 121.75 3d74 h TYR 102 Ca 0.03 0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.91 3d74 h TYR 102 Cb 1.06 -0.08 -0.04 0.00 1.54 0.00 0.00 36.73 39.21 3d74 h TYR 102 CO 0.06 0.16 0.52 -0.91 -1.64 0.00 0.00 178.16 176.35 3d74 h ASN 103 N 0.23 0.89 -0.06 -2.11 -0.26 -0.58 0.80 115.58 114.50 3d74 h ASN 103 Ca 0.07 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.78 3d74 h ASN 103 Cb -0.01 -0.22 -0.00 0.00 -1.06 0.00 0.00 38.32 37.03 3d74 h ASN 103 CO -0.01 0.64 0.02 0.25 -1.06 0.00 0.00 177.43 177.26 3d74 h LEU 104 N 1.05 0.09 -0.23 1.61 5.85 -1.06 0.21 115.31 122.83 3d74 h LEU 104 Ca 0.30 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.85 3d74 h LEU 104 Cb -0.09 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 3d74 h LEU 104 CO -0.07 0.28 -0.08 0.00 -0.34 0.00 0.00 178.44 178.22 3d74 h ALA 105 N 0.81 0.12 -0.82 1.25 0.00 -0.54 0.10 119.26 120.19 3d74 h ALA 105 Ca 0.02 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3d74 h ALA 105 Cb 0.22 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.19 3d74 h ALA 105 CO -0.00 -0.49 0.44 0.87 0.00 0.00 0.00 179.25 180.06 3d74 h LYS 106 N -0.04 1.15 -0.39 0.00 1.79 -0.78 -1.05 116.57 117.24 3d74 h LYS 106 Ca 0.12 -0.14 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3d74 h LYS 106 Cb 0.21 -0.22 -0.02 0.00 -1.58 0.00 0.00 32.23 30.62 3d74 h LYS 106 CO -0.26 0.86 0.25 0.00 -1.08 0.00 0.00 179.45 179.22 3d74 h VAL 108 N 0.53 1.22 0.00 0.00 2.07 -0.74 -3.19 116.25 116.14 3d74 h VAL 108 Ca 0.14 -0.68 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3d74 h VAL 108 Cb -0.03 0.59 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3d74 h VAL 108 CO -0.03 0.27 -0.09 1.56 0.02 0.00 0.00 177.57 179.29 3d74 h GLN 109 N 0.79 0.00 -0.63 1.57 4.20 -0.93 0.17 115.11 120.28 3d74 h GLN 109 Ca 0.19 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 3d74 h GLN 109 Cb 0.19 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.94 3d74 h GLN 109 CO -0.02 0.09 0.34 1.49 -0.67 0.00 0.00 178.83 180.07 3d74 h GLU 110 N 0.00 0.87 0.00 1.46 4.81 -1.42 -3.20 114.58 117.10 3d74 h GLU 110 Ca -0.00 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 3d74 h GLU 110 Cb 0.61 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.80 3d74 h GLU 110 CO 0.01 0.64 -1.53 -1.13 -0.73 0.00 0.00 179.01 176.28 3d74 n SER 111 N -4.38 2.72 -3.02 1.04 3.41 -0.96 -4.86 113.62 107.57 3d74 n SER 111 Ca 0.06 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.49 3d74 n SER 111 Cb 0.10 1.17 -0.02 0.00 -0.26 0.00 0.00 64.21 65.19 3d74 n SER 111 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3d74 n ALA 112 N -2.04 0.94 0.59 7.33 0.00 0.57 -5.00 120.51 122.90 3d74 n ALA 112 Ca -0.07 -2.62 0.10 0.00 0.00 0.00 0.00 53.44 50.84 3d74 n ALA 112 Cb 0.47 -1.02 0.41 0.00 0.00 0.00 0.00 19.45 19.32 3d74 n ALA 112 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3d74 n PRO 113 N 1.50 0.05 0.00 0.00 -0.04 -1.21 -0.99 135.00 134.32 3d74 n PRO 113 Ca 0.16 0.23 0.11 0.00 -0.04 0.00 0.00 63.50 63.96 3d74 n PRO 113 Cb 0.57 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.48 3d74 n PRO 113 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d74 n ASP 114 N -1.68 0.73 0.13 3.54 5.75 -1.26 -4.26 116.55 119.51 3d74 n ASP 114 Ca 0.04 -0.58 -0.24 0.00 -0.01 0.00 0.00 54.79 54.00 3d74 n ASP 114 Cb 0.23 0.73 -0.15 0.00 -1.03 0.00 0.00 41.12 40.89 3d74 n ASP 114 CO 0.00 0.00 0.00 0.58 -0.11 0.00 0.00 177.20 177.67 3d74 h VAL 115 N 0.00 1.29 -2.11 2.12 2.07 -1.43 -3.41 116.25 114.78 3d74 h VAL 115 Ca 0.00 -2.65 -0.61 0.00 0.82 0.00 0.00 66.70 64.26 3d74 h VAL 115 Cb 0.55 2.99 -0.12 0.00 -1.52 0.00 0.00 31.29 33.19 3d74 h VAL 115 CO 0.00 0.79 0.99 0.86 0.02 0.00 0.00 177.57 180.24 3d74 s TRP 116 N -2.66 2.63 0.10 1.57 -0.11 -1.24 -5.02 118.94 114.21 3d74 s TRP 116 Ca -0.09 -0.69 0.05 0.00 1.22 0.00 0.00 56.10 56.59 3d74 s TRP 116 Cb 0.04 -4.48 -0.04 0.00 -1.50 0.00 0.00 33.47 27.49 3d74 s TRP 116 CO 0.94 -1.80 -0.00 -0.59 -4.62 0.00 0.00 176.95 170.88 3d74 s PHE 117 N 4.43 2.96 -0.01 5.86 -0.71 -1.26 -4.86 117.98 124.39 3d74 s PHE 117 Ca 0.34 -0.05 0.04 0.00 -1.04 0.00 0.00 56.93 56.22 3d74 s PHE 117 Cb -0.08 -1.51 -0.01 0.00 -1.21 0.00 0.00 43.02 40.21 3d74 s PHE 117 CO 0.02 0.48 -0.13 0.08 -1.34 0.00 0.00 175.22 174.33 3d74 s VAL 118 N -1.36 1.01 0.00 -2.49 1.01 -1.26 -5.03 120.40 112.28 3d74 s VAL 118 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 61.98 61.66 3d74 s VAL 118 Cb -0.11 -0.85 0.00 0.00 0.00 0.00 0.00 36.38 35.42 3d74 s VAL 118 CO 0.18 0.26 0.03 2.30 0.00 0.00 0.00 175.10 177.88