#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d78 n PRO 2 N 0.00 0.23 0.26 0.00 -0.02 -1.26 -4.88 135.00 129.34 3d78 n PRO 2 Ca 0.00 0.14 0.18 0.00 -2.02 0.00 0.00 63.50 61.79 3d78 n PRO 2 Cb 0.00 -2.12 0.83 0.00 -0.02 0.00 0.00 33.50 32.19 3d78 n PRO 2 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d78 h ASP 3 N -0.67 0.00 1.46 2.55 3.32 -2.05 -2.48 116.42 118.54 3d78 h ASP 3 Ca -0.46 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.59 3d78 h ASP 3 Cb 1.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.87 3d78 h ASP 3 CO 0.44 0.00 0.00 -2.67 -1.72 0.00 0.00 179.24 175.29 3d78 n TRP 4 N -2.86 0.91 -1.93 4.55 4.27 -1.26 -4.88 117.44 116.24 3d78 n TRP 4 Ca -0.01 0.27 -0.42 0.00 -3.89 0.00 0.00 57.50 53.45 3d78 n TRP 4 Cb 0.18 -0.93 -0.03 0.00 -1.36 0.00 0.00 31.31 29.17 3d78 n TRP 4 CO 0.00 0.00 0.00 0.08 -2.29 0.00 0.00 177.69 175.48 3d78 s VAL 5 N -3.10 2.74 0.07 -1.67 1.01 -0.94 -4.91 120.40 113.62 3d78 s VAL 5 Ca 0.11 0.45 -0.35 0.00 0.00 0.00 0.00 61.98 62.19 3d78 s VAL 5 Cb 0.12 -3.29 -0.14 0.00 0.00 0.00 0.00 36.38 33.08 3d78 s VAL 5 CO 0.59 0.02 1.62 -2.65 0.00 0.00 0.00 175.10 174.69 3d78 n PRO 6 N 4.49 1.98 -0.33 2.72 -0.02 -1.26 -4.87 135.00 137.72 3d78 n PRO 6 Ca 0.15 0.72 0.24 0.00 -2.02 0.00 0.00 63.50 62.58 3d78 n PRO 6 Cb 0.39 -2.49 0.52 0.00 -0.02 0.00 0.00 33.50 31.90 3d78 n PRO 6 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3d78 h PRO 7 N 6.57 0.36 0.00 0.52 0.11 -1.96 -1.76 132.00 135.84 3d78 h PRO 7 Ca -0.46 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.60 3d78 h PRO 7 Cb 1.27 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3d78 h PRO 7 CO 0.89 0.24 -0.13 0.93 -0.21 0.00 0.00 178.00 179.72 3d78 h GLU 8 N 0.37 0.00 0.00 1.05 3.07 -2.02 -2.75 114.58 114.30 3d78 h GLU 8 Ca 0.60 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 59.42 3d78 h GLU 8 Cb 1.57 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.48 3d78 h GLU 8 CO -0.30 0.13 -0.21 -0.24 -1.40 0.00 0.00 179.01 176.99 3d78 h VAL 9 N 0.00 0.92 -0.34 3.13 3.04 -1.69 -1.00 116.25 120.31 3d78 h VAL 9 Ca -0.00 -0.79 -0.08 0.00 -1.01 0.00 0.00 66.70 64.81 3d78 h VAL 9 Cb 0.25 1.46 -0.02 0.00 -2.01 0.00 0.00 31.29 30.98 3d78 h VAL 9 CO 0.02 0.21 -0.13 -0.26 -1.01 0.00 0.00 177.57 176.39 3d78 h PHE 10 N 0.00 0.65 0.22 3.17 -1.00 -1.67 -1.41 116.94 116.90 3d78 h PHE 10 Ca -0.00 -0.11 -0.33 0.00 2.81 0.00 0.00 57.97 60.34 3d78 h PHE 10 Cb 0.44 -0.17 0.03 0.00 3.61 0.00 0.00 35.95 39.86 3d78 h PHE 10 CO 0.00 0.71 -1.54 -0.44 -1.61 0.00 0.00 178.31 175.43 3d78 h ASP 11 N 0.55 0.72 -0.83 2.17 3.32 -1.63 -3.30 116.42 117.42 3d78 h ASP 11 Ca 0.10 -0.93 0.05 0.00 0.02 0.00 0.00 57.03 56.27 3d78 h ASP 11 Cb 0.55 -0.23 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3d78 h ASP 11 CO 0.03 1.72 0.54 -0.07 -1.72 0.00 0.00 179.24 179.75 3d78 h LEU 12 N 0.07 0.84 0.00 1.55 3.38 -0.98 -2.60 115.31 117.58 3d78 h LEU 12 Ca -0.29 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 3d78 h LEU 12 Cb 2.09 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 42.66 3d78 h LEU 12 CO 0.22 0.56 -0.30 1.33 0.09 0.00 0.00 178.44 180.33 3d78 n VAL 13 N -4.47 0.04 -0.21 1.22 0.24 -0.55 -4.47 118.33 110.12 3d78 n VAL 13 Ca 0.12 -0.02 -0.03 0.00 -2.04 0.00 0.00 64.34 62.36 3d78 n VAL 13 Cb 0.17 -0.08 0.08 0.00 -1.47 0.00 0.00 33.84 32.53 3d78 n VAL 13 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3d78 h ALA 14 N 2.96 0.81 -0.13 2.33 0.00 -1.53 0.27 119.26 123.97 3d78 h ALA 14 Ca 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3d78 h ALA 14 Cb 0.52 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3d78 h ALA 14 CO 0.00 0.04 0.06 1.49 0.00 0.00 0.00 179.25 180.84 3d78 h GLU 15 N 0.66 0.19 -0.01 0.00 4.81 -1.79 -2.40 114.58 116.04 3d78 h GLU 15 Ca 0.27 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.35 3d78 h GLU 15 Cb 0.13 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 3d78 h GLU 15 CO -0.15 0.27 -0.53 -0.44 -0.73 0.00 0.00 179.01 177.43 3d78 h ASP 16 N 0.06 0.02 -0.07 1.04 3.32 -1.67 -2.48 116.42 116.64 3d78 h ASP 16 Ca 0.04 -0.01 0.01 0.00 0.02 0.00 0.00 57.03 57.10 3d78 h ASP 16 Cb 0.15 -0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.68 3d78 h ASP 16 CO -0.00 0.54 -0.02 0.50 -1.72 0.00 0.00 179.24 178.54 3d78 h LYS 17 N 0.01 -0.01 -0.19 3.56 3.64 -0.36 0.26 116.57 123.48 3d78 h LYS 17 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.38 3d78 h LYS 17 Cb 0.94 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.75 3d78 h LYS 17 CO 0.07 -0.01 0.11 0.00 -2.27 0.00 0.00 179.45 177.35 3d78 h ALA 18 N 1.06 0.24 -0.08 5.00 0.00 -1.26 0.58 119.26 124.79 3d78 h ALA 18 Ca 0.04 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.94 3d78 h ALA 18 Cb 0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d78 h ALA 18 CO -0.08 -0.31 0.04 -0.09 0.00 0.00 0.00 179.25 178.81 3d78 h ARG 19 N 0.22 0.12 -0.44 0.00 2.43 -1.26 -1.76 114.38 113.70 3d78 h ARG 19 Ca 0.08 -0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.09 3d78 h ARG 19 Cb 0.00 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 3d78 h ARG 19 CO -0.04 0.22 -0.27 0.00 -1.51 0.00 0.00 179.97 178.36 3d78 h MET 21 N 0.79 1.03 -0.42 0.00 2.86 -0.82 -2.21 114.93 116.16 3d78 h MET 21 Ca 0.09 -0.11 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3d78 h MET 21 Cb 0.84 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3d78 h MET 21 CO 0.07 0.75 0.20 1.03 1.06 0.00 0.00 176.91 180.02 3d78 h SER 22 N 1.03 0.55 -0.57 1.22 0.87 -1.10 0.10 113.55 115.65 3d78 h SER 22 Ca 0.26 -0.13 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 3d78 h SER 22 Cb 0.01 -0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 61.80 3d78 h SER 22 CO -0.05 0.53 0.29 -0.33 -0.53 0.00 0.00 176.83 176.74 3d78 h GLU 23 N 0.53 0.85 -0.02 2.24 5.08 -1.03 -3.25 114.58 118.99 3d78 h GLU 23 Ca 0.14 -0.11 0.00 0.00 -1.00 0.00 0.00 59.36 58.39 3d78 h GLU 23 Cb 0.13 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3d78 h GLU 23 CO -0.02 0.66 -0.11 0.72 -1.00 0.00 0.00 179.01 179.26 3d78 n HIS 24 N -4.35 0.00 -1.42 4.33 8.25 -0.85 -4.98 115.22 116.20 3d78 n HIS 24 Ca 0.05 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 3d78 n HIS 24 Cb 0.13 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.22 3d78 n HIS 24 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3d78 n GLY 25 N 0.96 0.73 3.77 -1.41 0.00 -0.05 -4.29 105.19 104.90 3d78 n GLY 25 Ca 0.08 -0.70 -0.39 0.00 0.00 0.00 0.00 46.02 45.02 3d78 n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3d78 s THR 26 N -2.29 3.12 0.24 2.61 2.01 -0.77 -4.97 115.64 115.60 3d78 s THR 26 Ca 0.00 1.00 0.09 0.00 0.31 0.00 0.00 61.69 63.09 3d78 s THR 26 Cb 0.00 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.88 3d78 s THR 26 CO 0.00 0.15 0.00 0.42 -0.69 0.00 0.00 174.62 174.50 3d78 s THR 27 N -1.32 3.54 0.34 -0.82 -4.23 -1.26 -4.82 115.64 107.08 3d78 s THR 27 Ca 0.54 -1.78 0.03 0.00 -1.18 0.00 0.00 61.69 59.30 3d78 s THR 27 Cb -0.33 -2.87 0.21 0.00 1.34 0.00 0.00 72.50 70.85 3d78 s THR 27 CO 0.42 -0.31 1.94 -0.61 -0.54 0.00 0.00 174.62 175.51 3d78 h GLN 28 N 2.07 0.66 -0.93 3.99 5.75 -2.00 -2.01 115.11 122.64 3d78 h GLN 28 Ca -0.45 -0.09 0.10 0.00 -0.15 0.00 0.00 58.65 58.06 3d78 h GLN 28 Cb 1.24 -0.12 -0.07 0.00 1.07 0.00 0.00 27.48 29.59 3d78 h GLN 28 CO 0.59 0.55 0.60 0.00 -2.65 0.00 0.00 178.83 177.92 3d78 h ALA 29 N 1.55 1.59 -0.49 3.38 0.00 -1.99 0.12 119.26 123.43 3d78 h ALA 29 Ca 0.16 0.00 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3d78 h ALA 29 Cb 0.13 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3d78 h ALA 29 CO -0.02 0.21 -0.14 1.96 0.00 0.00 0.00 179.25 181.26 3d78 h GLN 30 N 0.93 0.93 -0.33 0.00 4.20 -1.78 -1.09 115.11 117.97 3d78 h GLN 30 Ca 0.44 -0.35 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 3d78 h GLN 30 Cb 0.42 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.13 3d78 h GLN 30 CO -0.20 1.01 -0.05 0.82 -0.67 0.00 0.00 178.83 179.74 3d78 h ILE 31 N 0.82 1.27 -0.99 2.54 2.04 -1.15 -2.81 117.51 119.23 3d78 h ILE 31 Ca 0.13 -1.07 0.04 0.00 1.00 0.00 0.00 64.86 64.96 3d78 h ILE 31 Cb 0.68 1.29 -0.06 0.00 -0.74 0.00 0.00 36.82 38.00 3d78 h ILE 31 CO 0.05 0.35 0.65 0.44 0.00 0.00 0.00 178.15 179.64 3d78 h ASP 32 N 0.41 1.08 -0.88 1.72 3.32 -0.64 -2.45 116.42 118.97 3d78 h ASP 32 Ca 0.09 -0.01 0.04 0.00 0.02 0.00 0.00 57.03 57.17 3d78 h ASP 32 Cb 0.53 -0.24 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 3d78 h ASP 32 CO 0.03 0.73 0.57 0.44 -1.72 0.00 0.00 179.24 179.29 3d78 h ASP 33 N 1.25 0.92 -0.56 6.45 3.32 -0.98 -2.16 116.42 124.66 3d78 h ASP 33 Ca 0.40 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.42 3d78 h ASP 33 Cb 0.02 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3d78 h ASP 33 CO -0.13 0.62 0.23 0.58 -1.72 0.00 0.00 179.24 178.82 3d78 h VAL 34 N 1.07 1.22 0.00 -1.35 2.07 -1.20 -0.10 116.25 117.97 3d78 h VAL 34 Ca 0.36 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 3d78 h VAL 34 Cb 0.06 0.63 -0.00 0.00 -1.52 0.00 0.00 31.29 30.46 3d78 h VAL 34 CO -0.14 0.27 -0.02 0.78 0.02 0.00 0.00 177.57 178.48 3d78 h ASN 35 N 0.77 0.00 -0.09 0.57 2.35 -1.33 0.50 115.58 118.34 3d78 h ASN 35 Ca 0.19 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.94 3d78 h ASN 35 Cb 0.20 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.57 3d78 h ASN 35 CO -0.02 0.02 0.00 0.29 -1.65 0.00 0.00 177.43 176.07 3d78 n LYS 36 N -3.13 1.49 -0.81 0.81 5.02 -0.84 -4.94 118.16 115.75 3d78 n LYS 36 Ca -0.00 -0.73 0.00 0.00 -2.02 0.00 0.00 58.31 55.56 3d78 n LYS 36 Cb 0.27 -1.38 0.00 0.00 -0.02 0.00 0.00 35.03 33.90 3d78 n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3d78 n GLY 37 N 1.04 0.50 2.96 0.72 0.00 0.17 -4.99 105.19 105.59 3d78 n GLY 37 Ca 0.16 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 45.03 3d78 n GLY 37 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3d78 s ASN 38 N -2.77 5.01 -0.23 1.61 0.02 -0.11 -5.01 114.94 113.46 3d78 s ASN 38 Ca 0.00 -3.64 -0.11 0.00 -1.02 0.00 0.00 52.86 48.09 3d78 s ASN 38 Cb 0.00 -1.71 -0.05 0.00 0.02 0.00 0.00 41.25 39.51 3d78 s ASN 38 CO 0.00 -0.14 0.17 -0.22 0.02 0.00 0.00 177.10 176.92 3d78 s LEU 39 N -1.18 4.13 0.17 0.60 2.96 -1.26 -3.71 118.68 120.39 3d78 s LEU 39 Ca 0.24 0.15 0.10 0.00 -0.22 0.00 0.00 54.13 54.39 3d78 s LEU 39 Cb -0.09 -2.12 -0.04 0.00 0.50 0.00 0.00 46.19 44.43 3d78 s LEU 39 CO -0.12 0.08 -0.22 0.68 -1.32 0.00 0.00 176.35 175.44 3d78 s VAL 40 N 0.97 2.11 -1.27 1.68 -7.23 -1.26 -5.05 120.40 110.34 3d78 s VAL 40 Ca 0.08 -1.92 -0.10 0.00 -1.81 0.00 0.00 61.98 58.23 3d78 s VAL 40 Cb -0.13 -1.96 0.16 0.00 0.56 0.00 0.00 36.38 35.01 3d78 s VAL 40 CO 0.04 -0.15 1.82 -3.20 -0.31 0.00 0.00 175.10 173.29 3d78 n ASN 41 N 0.42 5.08 -4.31 4.85 5.15 -1.26 -4.72 115.26 120.48 3d78 n ASN 41 Ca -0.14 -3.08 -0.33 0.00 -0.60 0.00 0.00 54.58 50.42 3d78 n ASN 41 Cb 0.56 -1.50 -0.15 0.00 -0.53 0.00 0.00 39.78 38.16 3d78 n ASN 41 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3d78 s GLU 42 N 0.64 3.28 0.55 1.20 0.41 -1.26 -5.02 118.70 118.50 3d78 s GLU 42 Ca 0.40 -0.73 0.24 0.00 -0.41 0.00 0.00 54.97 54.47 3d78 s GLU 42 Cb 0.08 -2.62 1.54 0.00 -1.78 0.00 0.00 34.13 31.35 3d78 s GLU 42 CO 0.00 0.10 2.18 -1.00 -0.49 0.00 0.00 175.26 176.06 3d78 h PRO 43 N 7.05 0.00 -0.06 0.39 0.13 -1.97 -0.44 132.00 137.10 3d78 h PRO 43 Ca -0.29 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.86 3d78 h PRO 43 Cb 1.20 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.33 3d78 h PRO 43 CO 0.56 0.03 0.05 0.66 -0.23 0.00 0.00 178.00 179.07 3d78 h SER 44 N 0.00 0.00 0.00 1.44 4.64 -1.94 -0.18 113.55 117.51 3d78 h SER 44 Ca -0.00 0.00 -0.39 0.00 -0.47 0.00 0.00 61.79 60.93 3d78 h SER 44 Cb 0.06 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.08 3d78 h SER 44 CO 0.00 0.00 -2.46 0.00 -0.87 0.00 0.00 176.83 173.50 3d78 n ILE 45 N -4.08 1.47 -0.09 0.95 0.13 -0.44 -4.01 119.36 113.29 3d78 n ILE 45 Ca -0.02 -0.57 -0.14 0.00 -1.10 0.00 0.00 62.75 60.92 3d78 n ILE 45 Cb 0.15 -1.38 -0.04 0.00 -0.84 0.00 0.00 39.64 37.52 3d78 n ILE 45 CO 0.00 0.00 0.00 0.71 2.80 0.00 0.00 176.55 180.06 3d78 h THR 46 N 0.00 1.30 0.00 9.51 1.35 -1.05 -1.88 112.91 122.13 3d78 h THR 46 Ca -0.57 -1.58 -0.07 0.00 -0.55 0.00 0.00 66.41 63.64 3d78 h THR 46 Cb 1.90 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 69.95 3d78 h THR 46 CO -0.09 0.51 -0.31 0.00 -0.25 0.00 0.00 175.52 175.38 3d78 h TYR 48 N 0.00 0.25 -0.54 0.00 3.20 -1.61 0.37 116.97 118.64 3d78 h TYR 48 Ca -0.00 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.87 3d78 h TYR 48 Cb 0.61 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.77 3d78 h TYR 48 CO 0.00 0.31 0.33 0.52 -1.64 0.00 0.00 178.16 177.68 3d78 h MET 49 N 0.11 0.63 -0.44 1.82 2.86 -1.18 -0.35 114.93 118.38 3d78 h MET 49 Ca 0.05 -0.04 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 3d78 h MET 49 Cb 0.17 -0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.63 3d78 h MET 49 CO -0.00 0.42 0.12 -0.92 1.06 0.00 0.00 176.91 177.58 3d78 h TYR 50 N 0.65 0.20 -0.57 -0.22 3.20 -1.19 -1.39 116.97 117.65 3d78 h TYR 50 Ca 0.22 0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.13 3d78 h TYR 50 Cb 0.02 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.23 3d78 h TYR 50 CO -0.06 0.05 0.35 0.00 -1.64 0.00 0.00 178.16 176.86 3d78 h LEU 52 N 0.71 0.64 -0.52 0.00 3.38 -0.88 -1.54 115.31 117.09 3d78 h LEU 52 Ca 0.22 -0.26 0.04 0.00 0.09 0.00 0.00 57.88 57.97 3d78 h LEU 52 Cb -0.01 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 3d78 h LEU 52 CO -0.08 0.73 0.29 -0.07 0.09 0.00 0.00 178.44 179.40 3d78 h LEU 53 N 0.52 0.45 -1.11 1.67 3.38 -0.87 -2.50 115.31 116.85 3d78 h LEU 53 Ca 0.12 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3d78 h LEU 53 Cb 0.36 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 3d78 h LEU 53 CO 0.01 0.31 0.49 -0.08 0.09 0.00 0.00 178.44 179.25 3d78 h GLU 54 N 0.57 1.10 -0.59 1.13 4.22 -0.56 -0.52 114.58 119.93 3d78 h GLU 54 Ca 0.22 -0.10 0.04 0.00 0.08 0.00 0.00 59.36 59.60 3d78 h GLU 54 Cb 0.08 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.07 3d78 h GLU 54 CO -0.13 0.77 0.39 0.00 -2.18 0.00 0.00 179.01 177.86 3d78 h ALA 55 N 1.42 1.71 -0.40 2.92 0.00 -0.85 -0.87 119.26 123.19 3d78 h ALA 55 Ca 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3d78 h ALA 55 Cb -0.04 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3d78 h ALA 55 CO -0.05 0.22 0.00 1.19 0.00 0.00 0.00 179.25 180.60 3d78 n PHE 56 N -4.47 0.58 -2.38 0.00 3.72 -0.89 -4.93 117.46 109.09 3d78 n PHE 56 Ca 0.07 -0.28 -0.20 0.00 -0.05 0.00 0.00 57.45 56.99 3d78 n PHE 56 Cb 0.15 -0.02 -0.01 0.00 -0.94 0.00 0.00 39.48 38.66 3d78 n PHE 56 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 176.76 177.14 3d78 n SER 57 N 0.67 -5.81 0.02 4.37 7.64 -0.33 -4.89 113.62 115.30 3d78 n SER 57 Ca 0.14 0.01 0.12 0.00 1.01 0.00 0.00 58.87 60.14 3d78 n SER 57 Cb 0.37 -4.84 0.12 0.00 -1.01 0.00 0.00 64.21 58.84 3d78 n SER 57 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3d78 n LEU 58 N -2.99 0.62 -4.11 -3.43 4.77 -0.25 -4.78 117.00 106.83 3d78 n LEU 58 Ca -0.24 -0.01 -0.12 0.00 -0.03 0.00 0.00 56.01 55.61 3d78 n LEU 58 Cb 0.68 -0.16 -0.11 0.00 -2.33 0.00 0.00 43.42 41.51 3d78 n LEU 58 CO 0.28 0.07 -0.40 0.68 -1.33 0.00 0.00 177.39 176.70 3d78 s VAL 59 N -3.11 0.64 0.00 4.08 -7.23 -1.24 -0.33 120.40 113.21 3d78 s VAL 59 Ca 0.07 -1.46 0.00 0.00 -1.81 0.00 0.00 61.98 58.78 3d78 s VAL 59 Cb 0.15 -1.09 0.00 0.00 0.56 0.00 0.00 36.38 36.01 3d78 s VAL 59 CO 0.76 -0.58 0.00 -0.90 -0.31 0.00 0.00 175.10 174.06 3d78 n ASP 60 N 0.81 0.01 0.10 4.85 5.68 -0.97 -4.61 116.55 122.42 3d78 n ASP 60 Ca -0.18 -0.92 0.10 0.00 -0.50 0.00 0.00 54.79 53.29 3d78 n ASP 60 Cb 0.57 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.98 3d78 n ASP 60 CO 0.00 0.00 0.00 0.47 -1.33 0.00 0.00 177.20 176.34 3d78 n ASP 61 N -2.74 0.45 -0.77 -1.12 8.00 -1.26 -1.97 116.55 117.15 3d78 n ASP 61 Ca 0.00 0.63 0.07 0.00 0.71 0.00 0.00 54.79 56.20 3d78 n ASP 61 Cb 0.00 -0.72 0.21 0.00 -0.02 0.00 0.00 41.12 40.59 3d78 n ASP 61 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3d78 n GLU 62 N -2.02 2.89 -2.09 -1.24 1.02 -1.26 -4.97 120.64 112.98 3d78 n GLU 62 Ca 0.02 -2.50 -0.18 0.00 -0.02 0.00 0.00 57.16 54.47 3d78 n GLU 62 Cb 0.17 -1.60 -0.03 0.00 -0.02 0.00 0.00 31.44 29.96 3d78 n GLU 62 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3d78 n ALA 63 N -0.11 -0.46 -2.26 0.62 0.00 -0.83 -4.85 120.51 112.62 3d78 n ALA 63 Ca 0.17 0.20 -0.42 0.00 0.00 0.00 0.00 53.44 53.38 3d78 n ALA 63 Cb 0.69 -1.96 -0.03 0.00 0.00 0.00 0.00 19.45 18.16 3d78 n ALA 63 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3d78 s ASN 64 N -2.38 6.89 0.07 0.00 0.01 -1.26 -4.71 114.94 113.57 3d78 s ASN 64 Ca 0.00 2.11 -0.22 0.00 -0.71 0.00 0.00 52.86 54.04 3d78 s ASN 64 Cb 0.00 -2.57 -0.06 0.00 0.41 0.00 0.00 41.25 39.03 3d78 s ASN 64 CO 0.00 -0.66 0.66 -0.69 -1.51 0.00 0.00 177.10 174.90 3d78 s VAL 65 N 1.96 4.69 -0.99 1.60 1.01 -1.26 -2.30 120.40 125.12 3d78 s VAL 65 Ca 0.63 1.42 -0.23 0.00 0.00 0.00 0.00 61.98 63.80 3d78 s VAL 65 Cb -0.31 -4.01 0.06 0.00 0.00 0.00 0.00 36.38 32.12 3d78 s VAL 65 CO 0.27 0.48 1.41 -0.62 0.00 0.00 0.00 175.10 176.63 3d78 s ASP 66 N -0.67 6.49 0.28 3.32 -1.08 0.55 -4.85 116.67 120.70 3d78 s ASP 66 Ca 0.33 -1.44 -0.03 0.00 -0.52 0.00 0.00 52.55 50.90 3d78 s ASP 66 Cb -0.20 -2.55 0.38 0.00 -1.46 0.00 0.00 42.92 39.09 3d78 s ASP 66 CO 0.21 -1.49 1.89 -0.08 0.52 0.00 0.00 175.17 176.22 3d78 h GLU 67 N 9.73 1.02 -0.36 4.34 4.81 -1.95 -1.23 114.58 130.94 3d78 h GLU 67 Ca 0.16 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 59.11 3d78 h GLU 67 Cb 1.01 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.19 3d78 h GLU 67 CO 1.39 0.77 -0.39 -0.44 -0.73 0.00 0.00 179.01 179.61 3d78 h ASP 68 N 1.02 0.96 0.33 1.04 5.19 -1.99 -0.84 116.42 122.11 3d78 h ASP 68 Ca 0.25 -0.48 -0.25 0.00 -0.62 0.00 0.00 57.03 55.94 3d78 h ASP 68 Cb 0.07 -0.27 0.01 0.00 0.18 0.00 0.00 39.33 39.32 3d78 h ASP 68 CO -0.04 1.24 -1.05 0.40 -3.12 0.00 0.00 179.24 176.67 3d78 h ILE 69 N 0.69 1.39 0.01 0.35 1.08 -1.95 -0.92 117.51 118.17 3d78 h ILE 69 Ca 0.05 -2.54 0.03 0.00 -0.39 0.00 0.00 64.86 62.02 3d78 h ILE 69 Cb 0.98 2.55 -0.05 0.00 -3.07 0.00 0.00 36.82 37.23 3d78 h ILE 69 CO 0.09 0.76 -0.32 -0.03 -0.69 0.00 0.00 178.15 177.96 3d78 h MET 70 N 0.23 -0.46 -0.59 2.37 1.85 -1.14 -1.16 114.93 116.02 3d78 h MET 70 Ca -0.11 0.03 -0.04 0.00 -0.61 0.00 0.00 59.70 58.97 3d78 h MET 70 Cb 1.71 0.11 -0.03 0.00 0.43 0.00 0.00 31.60 33.82 3d78 h MET 70 CO 0.19 -0.31 0.21 -0.07 -0.40 0.00 0.00 176.91 176.52 3d78 h LEU 71 N -0.48 0.85 -1.93 3.39 3.38 -1.18 -3.04 115.31 116.29 3d78 h LEU 71 Ca 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 3d78 h LEU 71 Cb 0.56 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.09 3d78 h LEU 71 CO -0.26 0.81 -0.09 1.23 0.09 0.00 0.00 178.44 180.22 3d78 h GLY 72 N 0.83 0.00 1.76 0.83 0.00 -0.66 -2.21 103.07 103.62 3d78 h GLY 72 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.52 3d78 h GLY 72 CO -0.01 0.00 -0.17 1.04 0.00 0.00 0.00 176.54 177.40 3d78 n LEU 73 N -4.17 0.74 -4.78 3.11 4.77 -0.48 -4.87 117.00 111.33 3d78 n LEU 73 Ca -0.03 0.47 -0.37 0.00 -0.03 0.00 0.00 56.01 56.06 3d78 n LEU 73 Cb 0.17 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 3d78 n LEU 73 CO 0.33 -0.13 0.74 -0.76 -1.33 0.00 0.00 177.39 176.24 3d78 s LEU 74 N -4.35 4.17 0.81 2.23 1.43 -0.83 -5.03 118.68 117.10 3d78 s LEU 74 Ca 0.10 2.07 -0.14 0.00 -1.03 0.00 0.00 54.13 55.13 3d78 s LEU 74 Cb 0.13 -4.14 0.06 0.00 0.03 0.00 0.00 46.19 42.26 3d78 s LEU 74 CO 0.63 -0.48 1.01 -2.65 0.23 0.00 0.00 176.35 175.08 3d78 n PRO 75 N 0.01 0.16 -0.20 1.29 -0.02 -1.26 -4.48 135.00 130.50 3d78 n PRO 75 Ca 0.05 0.12 -0.02 0.00 -2.02 0.00 0.00 63.50 61.63 3d78 n PRO 75 Cb 0.49 -2.28 0.05 0.00 -0.02 0.00 0.00 33.50 31.75 3d78 n PRO 75 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3d78 h ASP 76 N -0.86 -0.62 -0.50 2.55 5.19 -1.96 0.25 116.42 120.47 3d78 h ASP 76 Ca -0.46 0.18 -0.11 0.00 -0.62 0.00 0.00 57.03 56.03 3d78 h ASP 76 Cb 1.31 0.39 -0.02 0.00 0.18 0.00 0.00 39.33 41.19 3d78 h ASP 76 CO 0.44 -0.21 -0.10 1.56 -3.12 0.00 0.00 179.24 177.81 3d78 h GLN 77 N -0.03 0.97 -0.24 3.56 4.20 -2.00 -1.72 115.11 119.85 3d78 h GLN 77 Ca 0.28 -0.35 -0.13 0.00 0.06 0.00 0.00 58.65 58.51 3d78 h GLN 77 Cb 0.45 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.16 3d78 h GLN 77 CO -0.62 1.02 -0.40 -0.07 -0.67 0.00 0.00 178.83 178.09 3d78 h LEU 78 N 0.87 0.61 -0.58 1.46 -0.00 -1.52 -2.20 115.31 113.94 3d78 h LEU 78 Ca 0.14 -0.27 0.02 0.00 -0.00 0.00 0.00 57.88 57.77 3d78 h LEU 78 Cb 0.64 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 41.10 3d78 h LEU 78 CO 0.04 0.94 0.37 -0.61 -0.00 0.00 0.00 178.44 179.18 3d78 h GLN 79 N 0.47 0.72 -0.23 1.13 4.15 -0.35 0.28 115.11 121.28 3d78 h GLN 79 Ca 0.04 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 3d78 h GLN 79 Cb 0.90 -0.16 -0.01 0.00 0.21 0.00 0.00 27.48 28.42 3d78 h GLN 79 CO 0.08 0.48 0.10 1.49 -1.93 0.00 0.00 178.83 179.04 3d78 h GLU 80 N 0.74 0.33 -0.87 1.69 4.81 -1.16 -1.45 114.58 118.67 3d78 h GLU 80 Ca 0.23 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 3d78 h GLU 80 Cb -0.03 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.26 3d78 h GLU 80 CO -0.08 0.36 0.46 0.00 -0.73 0.00 0.00 179.01 179.02 3d78 h ARG 81 N 0.23 1.22 0.00 1.92 3.08 -1.20 -3.04 114.38 116.58 3d78 h ARG 81 Ca 0.08 -0.15 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 3d78 h ARG 81 Cb 0.15 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 29.96 3d78 h ARG 81 CO -0.01 0.91 -0.08 0.00 -1.07 0.00 0.00 179.97 179.72 3d78 h ALA 82 N 1.25 0.98 -0.54 0.04 0.00 -0.13 -3.16 119.26 117.70 3d78 h ALA 82 Ca 0.30 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3d78 h ALA 82 Cb 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 3d78 h ALA 82 CO -0.05 0.10 0.34 0.37 0.00 0.00 0.00 179.25 180.01 3d78 h GLN 83 N 0.00 0.66 -0.08 0.00 4.15 -1.15 0.42 115.11 119.11 3d78 h GLN 83 Ca -0.00 -0.04 -0.18 0.00 0.77 0.00 0.00 58.65 59.20 3d78 h GLN 83 Cb 0.80 -0.15 0.01 0.00 0.21 0.00 0.00 27.48 28.35 3d78 h GLN 83 CO 0.01 0.44 -0.65 0.66 -1.93 0.00 0.00 178.83 177.36 3d78 h SER 84 N 0.68 0.71 -0.59 -0.69 4.64 -1.70 -1.45 113.55 115.15 3d78 h SER 84 Ca 0.21 -0.67 -0.03 0.00 -0.47 0.00 0.00 61.79 60.82 3d78 h SER 84 Cb -0.02 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.83 3d78 h SER 84 CO -0.07 1.28 0.24 0.58 -0.87 0.00 0.00 176.83 177.98 3d78 h VAL 85 N 0.20 1.23 0.00 0.95 2.07 -1.47 -1.82 116.25 117.40 3d78 h VAL 85 Ca -0.06 -0.70 -0.14 0.00 0.82 0.00 0.00 66.70 66.62 3d78 h VAL 85 Cb 1.31 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 3d78 h VAL 85 CO 0.13 0.27 -0.68 0.24 0.02 0.00 0.00 177.57 177.56 3d78 h MET 86 N 0.81 0.00 -0.74 1.57 2.86 -0.20 0.40 114.93 119.63 3d78 h MET 86 Ca 0.20 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.95 3d78 h MET 86 Cb 0.20 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 3d78 h MET 86 CO -0.02 0.68 0.35 0.78 1.06 0.00 0.00 176.91 179.76 3d78 h GLY 87 N 2.04 1.12 0.63 8.32 0.00 -0.97 -0.36 103.07 113.85 3d78 h GLY 87 Ca -0.01 -0.21 -0.13 0.00 0.00 0.00 0.00 47.33 46.99 3d78 h GLY 87 CO 0.09 0.01 -0.51 1.70 0.00 0.00 0.00 176.54 177.83 3d78 h LYS 88 N 0.57 0.30 -0.00 4.80 3.64 -0.76 -3.36 116.57 121.76 3d78 h LYS 88 Ca 0.38 -0.36 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3d78 h LYS 88 Cb 0.46 0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3d78 h LYS 88 CO -0.31 1.07 -0.37 0.00 -2.27 0.00 0.00 179.45 177.57 3d78 s LEU 90 N -2.90 2.91 0.66 0.00 1.43 -0.15 -4.34 118.68 116.30 3d78 s LEU 90 Ca 0.14 -0.35 -0.11 0.00 -1.03 0.00 0.00 54.13 52.78 3d78 s LEU 90 Cb 0.18 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.68 3d78 s LEU 90 CO 0.64 0.23 1.05 -2.16 0.23 0.00 0.00 176.35 176.33 3d78 s PRO 91 N -1.78 3.20 0.61 1.29 0.04 -1.26 -4.77 135.00 132.32 3d78 s PRO 91 Ca 0.18 0.88 -0.18 0.00 0.04 0.00 0.00 61.00 61.92 3d78 s PRO 91 Cb -0.11 -2.03 -0.03 0.00 0.04 0.00 0.00 34.50 32.38 3d78 s PRO 91 CO 0.09 -0.89 1.19 0.95 0.04 0.00 0.00 177.00 178.38 3d78 s THR 92 N -3.09 2.73 -0.02 1.26 -4.23 -1.26 -5.06 115.64 105.97 3d78 s THR 92 Ca 0.57 0.43 -0.02 0.00 -1.18 0.00 0.00 61.69 61.49 3d78 s THR 92 Cb -0.13 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.60 3d78 s THR 92 CO 0.54 -0.12 0.05 -0.55 -0.54 0.00 0.00 174.62 174.00 3d78 s SER 93 N -1.77 -0.05 0.00 3.99 0.15 -1.26 -5.02 113.70 109.74 3d78 s SER 93 Ca 0.75 0.09 0.00 0.00 0.70 0.00 0.00 55.95 57.49 3d78 s SER 93 Cb -0.28 0.10 0.00 0.00 -1.71 0.00 0.00 66.02 64.12 3d78 s SER 93 CO 0.34 -0.02 0.00 0.61 1.20 0.00 0.00 173.24 175.37 3d78 n GLY 94 N 3.04 1.17 0.08 9.45 0.00 -1.26 -4.36 105.19 113.31 3d78 n GLY 94 Ca -0.12 -1.12 -0.07 0.00 0.00 0.00 0.00 46.02 44.71 3d78 n GLY 94 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3d78 h SER 95 N 0.00 0.06 -4.21 1.61 4.64 -2.00 -3.45 113.55 110.21 3d78 h SER 95 Ca 0.00 -0.06 -0.33 0.00 -0.47 0.00 0.00 61.79 60.93 3d78 h SER 95 Cb 0.00 -0.02 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 3d78 h SER 95 CO 0.00 0.97 -0.24 -0.90 -0.87 0.00 0.00 176.83 175.78 3d78 n ASP 96 N -3.47 -1.12 -0.29 4.97 5.68 -1.26 -5.04 116.55 116.01 3d78 n ASP 96 Ca -0.01 -2.94 -0.06 0.00 -0.50 0.00 0.00 54.79 51.28 3d78 n ASP 96 Cb 0.88 2.21 0.07 0.00 -1.14 0.00 0.00 41.12 43.13 3d78 n ASP 96 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 3d78 h ASN 97 N 1.95 1.11 -0.25 -1.12 2.35 -1.91 -0.73 115.58 116.97 3d78 h ASN 97 Ca -0.25 -0.17 -0.13 0.00 -0.55 0.00 0.00 56.30 55.19 3d78 h ASN 97 Cb 1.16 -0.29 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 3d78 h ASN 97 CO 0.35 0.98 -0.36 0.00 -1.65 0.00 0.00 177.43 176.75 3d78 h ASN 99 N 0.41 0.82 -0.85 0.00 4.21 -1.88 -0.88 115.58 117.41 3d78 h ASN 99 Ca 0.03 -0.16 0.03 0.00 1.21 0.00 0.00 56.30 57.41 3d78 h ASN 99 Cb 0.94 -0.21 -0.05 0.00 -1.12 0.00 0.00 38.32 37.88 3d78 h ASN 99 CO 0.08 0.81 0.55 0.11 -1.29 0.00 0.00 177.43 177.69 3d78 h LYS 100 N 0.84 1.06 -0.02 0.81 1.57 -0.97 0.14 116.57 120.00 3d78 h LYS 100 Ca 0.18 -0.06 -0.22 0.00 -1.87 0.00 0.00 60.65 58.68 3d78 h LYS 100 Cb 0.32 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.39 3d78 h LYS 100 CO 0.00 0.70 -0.89 0.82 -0.57 0.00 0.00 179.45 179.51 3d78 h ILE 101 N 1.09 1.40 -0.22 1.86 1.08 -1.11 -1.43 117.51 120.18 3d78 h ILE 101 Ca 0.33 -2.38 0.03 0.00 -0.39 0.00 0.00 64.86 62.45 3d78 h ILE 101 Cb -0.03 2.35 -0.03 0.00 -3.07 0.00 0.00 36.82 36.03 3d78 h ILE 101 CO -0.10 0.71 0.02 0.22 -0.69 0.00 0.00 178.15 178.31 3d78 h TYR 102 N 0.24 0.04 -0.78 1.37 3.20 -0.86 0.08 116.97 120.25 3d78 h TYR 102 Ca -0.07 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.78 3d78 h TYR 102 Cb 1.51 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 39.76 3d78 h TYR 102 CO 0.06 -0.00 0.34 -0.91 -1.64 0.00 0.00 178.16 176.00 3d78 h ASN 103 N 0.10 1.05 0.26 -2.11 -0.26 -0.64 0.08 115.58 114.06 3d78 h ASN 103 Ca 0.10 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.69 3d78 h ASN 103 Cb 0.11 -0.27 0.00 0.00 -1.06 0.00 0.00 38.32 37.11 3d78 h ASN 103 CO -0.15 0.91 -0.13 0.25 -1.06 0.00 0.00 177.43 177.25 3d78 h LEU 104 N 1.12 -0.30 -0.48 1.61 5.85 -0.98 -1.28 115.31 120.85 3d78 h LEU 104 Ca 0.26 -0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.00 3d78 h LEU 104 Cb 0.17 0.08 -0.05 0.00 0.37 0.00 0.00 40.66 41.23 3d78 h LEU 104 CO -0.03 -0.17 0.22 0.00 -0.34 0.00 0.00 178.44 178.12 3d78 h ALA 105 N 0.31 0.60 -0.55 1.25 0.00 -0.63 -0.59 119.26 119.65 3d78 h ALA 105 Ca -0.04 0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.95 3d78 h ALA 105 Cb 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.03 3d78 h ALA 105 CO 0.06 -0.15 0.31 0.87 0.00 0.00 0.00 179.25 180.34 3d78 h LYS 106 N 0.43 0.58 -0.60 0.00 1.79 -0.94 0.42 116.57 118.25 3d78 h LYS 106 Ca 0.22 -0.03 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 3d78 h LYS 106 Cb 0.16 -0.13 -0.03 0.00 -1.58 0.00 0.00 32.23 30.65 3d78 h LYS 106 CO -0.18 0.38 0.35 0.00 -1.08 0.00 0.00 179.45 178.93 3d78 h VAL 108 N 0.81 1.33 0.00 0.00 2.07 -0.84 -3.12 116.25 116.50 3d78 h VAL 108 Ca 0.21 -1.13 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 3d78 h VAL 108 Cb -0.00 1.81 -0.00 0.00 -1.52 0.00 0.00 31.29 31.58 3d78 h VAL 108 CO -0.04 0.33 -0.14 1.56 0.02 0.00 0.00 177.57 179.30 3d78 h GLN 109 N -0.09 0.00 -0.64 1.57 4.20 -0.83 0.36 115.11 119.67 3d78 h GLN 109 Ca 0.03 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.66 3d78 h GLN 109 Cb 0.55 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 3d78 h GLN 109 CO 0.02 0.14 0.10 1.49 -0.67 0.00 0.00 178.83 179.91 3d78 h GLU 110 N 0.00 1.06 0.07 1.46 4.81 -1.33 -3.14 114.58 117.51 3d78 h GLU 110 Ca -0.00 -0.29 -0.20 0.00 -0.13 0.00 0.00 59.36 58.74 3d78 h GLU 110 Cb 0.26 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.51 3d78 h GLU 110 CO 0.02 0.99 -1.04 0.77 -0.73 0.00 0.00 179.01 179.01 3d78 h SER 111 N 0.98 0.24 -2.42 1.04 0.02 -1.42 -3.45 113.55 108.53 3d78 h SER 111 Ca 0.19 -0.82 -0.59 0.00 -0.84 0.00 0.00 61.79 59.73 3d78 h SER 111 Cb 0.44 -0.08 -0.38 0.00 0.14 0.00 0.00 62.40 62.52 3d78 h SER 111 CO 0.01 1.45 -0.94 0.00 -1.14 0.00 0.00 176.83 176.21 3d78 n ALA 112 N -2.96 2.91 -0.31 3.77 0.00 0.12 -4.99 120.51 119.05 3d78 n ALA 112 Ca -0.22 -3.26 0.13 0.00 0.00 0.00 0.00 53.44 50.09 3d78 n ALA 112 Cb 0.76 -0.78 0.37 0.00 0.00 0.00 0.00 19.45 19.80 3d78 n ALA 112 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3d78 h PRO 113 N 5.54 0.68 -0.30 0.00 0.13 -1.74 -1.63 132.00 134.69 3d78 h PRO 113 Ca 0.25 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.34 3d78 h PRO 113 Cb 0.89 -0.15 0.00 0.00 0.13 0.00 0.00 31.00 31.87 3d78 h PRO 113 CO 0.41 0.45 0.00 -0.40 -0.23 0.00 0.00 178.00 178.23 3d78 n ASP 114 N -4.62 3.36 -0.09 1.44 5.75 -1.26 -4.10 116.55 117.03 3d78 n ASP 114 Ca 0.20 -2.00 -0.23 0.00 -0.01 0.00 0.00 54.79 52.75 3d78 n ASP 114 Cb 0.54 -0.19 -0.12 0.00 -1.03 0.00 0.00 41.12 40.32 3d78 n ASP 114 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 3d78 n VAL 115 N 1.47 1.58 -2.68 2.12 0.31 -0.61 -4.81 118.33 115.70 3d78 n VAL 115 Ca 0.18 -0.33 -0.43 0.00 -0.01 0.00 0.00 64.34 63.75 3d78 n VAL 115 Cb 0.61 -1.85 -0.03 0.00 -0.91 0.00 0.00 33.84 31.66 3d78 n VAL 115 CO 0.00 0.00 0.00 0.86 -1.32 0.00 0.00 176.83 176.37 3d78 s TRP 116 N -2.47 2.93 0.20 3.52 -0.11 -1.26 -5.02 118.94 116.74 3d78 s TRP 116 Ca -0.31 0.72 0.05 0.00 1.22 0.00 0.00 56.10 57.79 3d78 s TRP 116 Cb 0.09 -4.11 -0.05 0.00 -1.50 0.00 0.00 33.47 27.90 3d78 s TRP 116 CO 0.61 -1.09 -0.07 -0.59 -4.62 0.00 0.00 176.95 171.18 3d78 s PHE 117 N 4.04 1.55 0.01 5.86 -0.71 -1.26 -4.87 117.98 122.60 3d78 s PHE 117 Ca 0.44 -0.76 0.04 0.00 -1.04 0.00 0.00 56.93 55.61 3d78 s PHE 117 Cb -0.09 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.88 3d78 s PHE 117 CO 0.26 0.13 -0.13 0.08 -1.34 0.00 0.00 175.22 174.22 3d78 s VAL 118 N -3.24 1.02 -0.49 -2.49 1.01 -1.26 -5.07 120.40 109.89 3d78 s VAL 118 Ca 0.23 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.51 3d78 s VAL 118 Cb 0.03 -0.89 0.03 0.00 0.00 0.00 0.00 36.38 35.55 3d78 s VAL 118 CO 0.06 0.15 0.62 -0.38 0.00 0.00 0.00 175.10 175.55