#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d85 n ALA 10 N 0.00 4.73 -0.33 0.55 0.00 -1.26 -4.85 120.51 119.36 3d85 n ALA 10 Ca 0.00 -3.94 0.04 0.00 0.00 0.00 0.00 53.44 49.54 3d85 n ALA 10 Cb 0.00 -3.48 0.11 0.00 0.00 0.00 0.00 19.45 16.08 3d85 n ALA 10 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 3d85 h TRP 11 N 6.59 -0.56 -0.25 0.00 4.06 -1.94 -1.64 115.95 122.21 3d85 h TRP 11 Ca 0.49 0.08 -0.02 0.00 2.06 0.00 0.00 58.89 61.51 3d85 h TRP 11 Cb 0.73 0.39 -0.01 0.00 -1.00 0.00 0.00 29.16 29.27 3d85 h TRP 11 CO 1.41 -0.39 0.09 1.15 -3.56 0.00 0.00 178.44 177.13 3d85 h THR 12 N -0.01 1.18 -0.52 1.49 2.02 -1.88 0.11 112.91 115.31 3d85 h THR 12 Ca 0.42 -0.58 -0.06 0.00 0.77 0.00 0.00 66.41 66.96 3d85 h THR 12 Cb 0.66 1.09 -0.02 0.00 -1.74 0.00 0.00 68.15 68.14 3d85 h THR 12 CO -0.94 0.19 0.07 1.56 0.37 0.00 0.00 175.52 176.78 3d85 h GLN 13 N 0.25 0.82 -0.36 6.66 4.20 -1.82 -0.56 115.11 124.29 3d85 h GLN 13 Ca 0.08 -0.19 -0.11 0.00 0.06 0.00 0.00 58.65 58.49 3d85 h GLN 13 Cb 0.21 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 3d85 h GLN 13 CO -0.00 0.77 -0.23 0.00 -0.67 0.00 0.00 178.83 178.69 3d85 h GLN 15 N 0.63 0.47 -0.62 0.00 -0.00 -0.23 -0.06 115.11 115.30 3d85 h GLN 15 Ca 0.09 -0.12 -0.07 0.00 -0.00 0.00 0.00 58.65 58.54 3d85 h GLN 15 Cb 0.73 -0.06 -0.02 0.00 0.00 0.00 0.00 27.48 28.13 3d85 h GLN 15 CO 0.06 0.57 0.10 1.96 0.00 0.00 0.00 178.83 181.52 3d85 h GLN 16 N 0.30 1.03 -0.31 1.69 4.20 -1.01 -2.16 115.11 118.85 3d85 h GLN 16 Ca 0.09 -0.27 -0.08 0.00 0.06 0.00 0.00 58.65 58.45 3d85 h GLN 16 Cb 0.32 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.97 3d85 h GLN 16 CO 0.00 0.96 -0.11 1.25 -0.67 0.00 0.00 178.83 180.26 3d85 h LEU 17 N 0.94 0.62 -1.57 1.46 5.85 -1.20 -2.58 115.31 118.83 3d85 h LEU 17 Ca 0.19 -0.39 -0.05 0.00 0.84 0.00 0.00 57.88 58.48 3d85 h LEU 17 Cb 0.43 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.28 3d85 h LEU 17 CO 0.01 0.87 -0.22 0.77 -0.34 0.00 0.00 178.44 179.54 3d85 h SER 18 N 0.38 0.00 -0.32 1.25 4.64 -0.92 -1.06 113.55 117.52 3d85 h SER 18 Ca 0.07 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.27 3d85 h SER 18 Cb 0.61 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 3d85 h SER 18 CO 0.04 0.22 -0.29 -0.61 -0.87 0.00 0.00 176.83 175.31 3d85 h GLN 19 N 0.00 0.76 -0.41 4.77 5.75 -1.25 -1.79 115.11 122.93 3d85 h GLN 19 Ca -0.00 -0.39 -0.08 0.00 -0.15 0.00 0.00 58.65 58.03 3d85 h GLN 19 Cb 0.38 0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3d85 h GLN 19 CO 0.03 1.01 -0.06 -0.22 -2.65 0.00 0.00 178.83 176.94 3d85 h LYS 20 N 0.52 0.69 -0.74 1.69 3.64 -1.11 -1.98 116.57 119.28 3d85 h LYS 20 Ca 0.05 -0.20 -0.04 0.00 -1.27 0.00 0.00 60.65 59.20 3d85 h LYS 20 Cb 0.86 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.57 3d85 h LYS 20 CO 0.07 0.75 0.32 -0.07 -2.27 0.00 0.00 179.45 178.25 3d85 h LEU 21 N 0.64 0.99 -0.51 5.20 3.38 -1.02 -0.15 115.31 123.85 3d85 h LEU 21 Ca 0.12 -0.13 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3d85 h LEU 21 Cb 0.49 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3d85 h LEU 21 CO 0.03 0.86 0.25 0.00 0.09 0.00 0.00 178.44 179.67 3d85 h THR 23 N 0.68 1.05 -0.80 0.00 2.02 -1.02 -2.74 112.91 112.09 3d85 h THR 23 Ca 0.18 -0.14 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3d85 h THR 23 Cb 0.11 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 3d85 h THR 23 CO -0.02 0.04 0.52 -0.07 0.37 0.00 0.00 175.52 176.36 3d85 h LEU 24 N 0.05 0.88 -2.38 2.58 3.38 -0.83 -1.77 115.31 117.22 3d85 h LEU 24 Ca 0.02 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 3d85 h LEU 24 Cb 0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.58 3d85 h LEU 24 CO -0.00 0.62 -0.02 0.00 0.09 0.00 0.00 178.44 179.13 3d85 h ALA 25 N 1.32 1.06 0.00 1.53 0.00 -0.70 -2.49 119.26 119.98 3d85 h ALA 25 Ca 0.31 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.20 3d85 h ALA 25 Cb -0.05 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3d85 h ALA 25 CO -0.09 0.02 -0.80 0.91 0.00 0.00 0.00 179.25 179.29 3d85 n TRP 26 N -3.19 0.00 0.28 0.00 7.02 -0.97 -4.65 117.44 115.94 3d85 n TRP 26 Ca -0.02 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.59 3d85 n TRP 26 Cb 0.16 -0.01 0.82 0.00 -2.42 0.00 0.00 31.31 29.86 3d85 n TRP 26 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 3d85 h SER 27 N 0.00 0.00 -0.09 -0.99 4.64 -0.85 -1.82 113.55 114.44 3d85 h SER 27 Ca 0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3d85 h SER 27 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.47 3d85 h SER 27 CO 0.00 0.00 -0.21 0.00 -0.87 0.00 0.00 176.83 175.76 3d85 n ALA 28 N -2.40 3.23 -1.85 5.18 0.00 -1.26 -5.05 120.51 118.35 3d85 n ALA 28 Ca -0.03 -2.94 -0.42 0.00 0.00 0.00 0.00 53.44 50.04 3d85 n ALA 28 Cb 0.08 -0.47 -0.03 0.00 0.00 0.00 0.00 19.45 19.04 3d85 n ALA 28 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3d85 s HIS 29 N -3.08 2.22 0.74 0.00 5.04 -0.69 -4.98 115.29 114.54 3d85 s HIS 29 Ca 0.38 0.15 -0.04 0.00 -1.54 0.00 0.00 55.06 54.00 3d85 s HIS 29 Cb 0.34 -4.04 0.11 0.00 0.04 0.00 0.00 32.58 29.03 3d85 s HIS 29 CO -0.01 -4.28 1.03 -1.25 -2.34 0.00 0.00 174.74 167.89 3d85 s PRO 30 N 2.92 1.73 -0.08 2.88 0.04 -1.26 -4.99 135.00 136.24 3d85 s PRO 30 Ca 0.77 -0.76 -0.30 0.00 0.04 0.00 0.00 61.00 60.75 3d85 s PRO 30 Cb -0.41 -2.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.85 3d85 s PRO 30 CO 0.34 -1.47 1.44 -1.17 0.04 0.00 0.00 177.00 176.18 3d85 s LEU 31 N -5.24 4.27 0.00 -3.56 2.96 -1.26 -5.24 118.68 110.60 3d85 s LEU 31 Ca 0.65 2.01 0.00 0.00 -0.22 0.00 0.00 54.13 56.57 3d85 s LEU 31 Cb -0.07 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.08 3d85 s LEU 31 CO 0.45 -0.80 0.00 0.55 -1.32 0.00 0.00 176.35 175.23 3d85 n VAL 32 N 5.20 0.00 0.00 1.68 3.14 -1.26 -5.32 118.33 121.77 3d85 n VAL 32 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 3d85 n VAL 32 Cb 0.44 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.22 3d85 n VAL 32 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 3d85 n ASP 48 N 0.00 0.00 -4.64 6.55 8.00 -1.26 -5.30 116.55 119.91 3d85 n ASP 48 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3d85 n ASP 48 Cb 0.00 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.06 3d85 n ASP 48 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3d85 s VAL 49 N 0.00 4.79 -0.04 2.53 1.01 -1.26 -5.00 120.40 122.42 3d85 s VAL 49 Ca 0.00 1.55 -0.30 0.00 0.00 0.00 0.00 61.98 63.23 3d85 s VAL 49 Cb 0.00 -4.16 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3d85 s VAL 49 CO 0.00 -0.15 1.12 -2.16 0.00 0.00 0.00 175.10 173.91 3d85 s PRO 50 N 2.96 4.41 0.09 2.72 0.04 -1.26 -4.99 135.00 138.97 3d85 s PRO 50 Ca 0.36 1.59 0.09 0.00 0.04 0.00 0.00 61.00 63.08 3d85 s PRO 50 Cb -0.15 -3.51 -0.03 0.00 0.04 0.00 0.00 34.50 30.85 3d85 s PRO 50 CO 0.09 -0.33 -0.23 -1.01 0.04 0.00 0.00 177.00 175.55 3d85 s HIS 51 N 1.81 2.03 -0.60 0.56 3.76 -1.26 -4.92 115.29 116.66 3d85 s HIS 51 Ca 0.54 -0.40 -0.26 0.00 -0.15 0.00 0.00 55.06 54.79 3d85 s HIS 51 Cb -0.23 -1.14 0.04 0.00 1.11 0.00 0.00 32.58 32.35 3d85 s HIS 51 CO 0.23 0.21 1.12 0.42 -0.85 0.00 0.00 174.74 175.86 3d85 s ILE 52 N -1.00 4.10 0.59 0.60 1.01 -1.26 -5.00 121.20 120.23 3d85 s ILE 52 Ca 0.10 0.55 -0.02 0.00 0.00 0.00 0.00 60.65 61.28 3d85 s ILE 52 Cb -0.10 -4.70 0.03 0.00 0.01 0.00 0.00 42.46 37.70 3d85 s ILE 52 CO 0.04 -1.37 0.85 -1.10 0.00 0.00 0.00 174.94 173.36 3d85 s GLN 53 N 4.73 2.58 0.29 2.79 -0.21 -1.26 -4.97 119.66 123.61 3d85 s GLN 53 Ca 0.37 -0.45 0.04 0.00 0.02 0.00 0.00 55.36 55.33 3d85 s GLN 53 Cb -0.10 -2.37 0.67 0.00 1.00 0.00 0.00 33.01 32.21 3d85 s GLN 53 CO 0.21 -0.80 1.78 0.00 -2.12 0.00 0.00 175.29 174.36 3d85 n GLY 55 N -1.33 -1.22 0.00 0.00 0.00 -1.26 -3.66 105.19 97.72 3d85 n GLY 55 Ca 0.21 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.41 3d85 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3d85 n ASP 56 N -2.09 0.00 -2.91 1.61 8.00 -0.49 -4.92 116.55 115.74 3d85 n ASP 56 Ca 0.02 -0.15 -0.17 0.00 0.71 0.00 0.00 54.79 55.20 3d85 n ASP 56 Cb 0.22 -0.25 0.06 0.00 -0.02 0.00 0.00 41.12 41.13 3d85 n ASP 56 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3d85 n GLY 57 N 0.72 -0.21 0.98 0.44 0.00 -1.24 -3.39 105.19 102.49 3d85 n GLY 57 Ca 0.12 0.03 0.10 0.00 0.00 0.00 0.00 46.02 46.27 3d85 n GLY 57 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d85 s ASP 59 N -1.35 6.40 0.23 0.00 1.47 -1.26 -4.79 116.67 117.37 3d85 s ASP 59 Ca 0.33 1.17 -0.10 0.00 1.18 0.00 0.00 52.55 55.13 3d85 s ASP 59 Cb 0.19 -2.35 0.35 0.00 -0.34 0.00 0.00 42.92 40.77 3d85 s ASP 59 CO 0.27 -0.56 1.63 -0.65 0.68 0.00 0.00 175.17 176.54 3d85 h PRO 60 N 0.61 0.06 -0.08 2.11 0.11 -1.99 0.66 132.00 133.49 3d85 h PRO 60 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3d85 h PRO 60 Cb 1.19 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 3d85 h PRO 60 CO 0.62 0.04 0.05 0.37 -0.21 0.00 0.00 178.00 178.87 3d85 h GLN 61 N 0.06 0.09 -0.45 1.05 5.75 -1.95 -2.04 115.11 117.62 3d85 h GLN 61 Ca 0.36 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.86 3d85 h GLN 61 Cb 0.60 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.11 3d85 h GLN 61 CO -0.65 0.06 0.27 0.78 -2.65 0.00 0.00 178.83 176.64 3d85 h GLY 62 N 0.10 0.65 2.00 2.39 0.00 -1.63 -1.74 103.07 104.84 3d85 h GLY 62 Ca 0.03 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.02 3d85 h GLY 62 CO -0.01 0.25 -0.40 1.41 0.00 0.00 0.00 176.54 177.78 3d85 h LEU 63 N 0.62 0.00 0.36 3.11 3.38 -0.60 -2.83 115.31 119.35 3d85 h LEU 63 Ca 0.16 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3d85 h LEU 63 Cb -0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3d85 h LEU 63 CO -0.03 0.40 -0.17 -0.09 0.09 0.00 0.00 178.44 178.64 3d85 h ARG 64 N 0.00 -0.47 -0.02 1.13 2.43 -0.60 -3.25 114.38 113.61 3d85 h ARG 64 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3d85 h ARG 64 Cb 0.95 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3d85 h ARG 64 CO 0.05 -0.31 -0.08 -0.44 -1.51 0.00 0.00 179.97 177.68 3d85 h ASP 65 N -0.53 -0.24 -2.28 -3.80 3.32 -1.53 -3.42 116.42 107.93 3d85 h ASP 65 Ca -0.05 0.03 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 3d85 h ASP 65 Cb 0.37 0.09 -0.29 0.00 0.22 0.00 0.00 39.33 39.72 3d85 h ASP 65 CO 0.08 -0.07 -0.45 0.21 -1.72 0.00 0.00 179.24 177.29 3d85 s ASN 66 N -2.88 0.10 0.29 6.45 2.47 -1.07 -5.05 114.94 115.25 3d85 s ASN 66 Ca -0.02 0.55 0.23 0.00 0.42 0.00 0.00 52.86 54.04 3d85 s ASN 66 Cb 0.01 1.13 0.15 0.00 -1.45 0.00 0.00 41.25 41.09 3d85 s ASN 66 CO 0.09 -0.27 1.27 0.77 -3.72 0.00 0.00 177.10 175.24 3d85 h SER 67 N 8.20 0.00 -0.53 -4.21 4.64 -1.74 -3.37 113.55 116.54 3d85 h SER 67 Ca -0.17 -0.01 0.07 0.00 -0.47 0.00 0.00 61.79 61.21 3d85 h SER 67 Cb 1.13 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.19 3d85 h SER 67 CO 0.20 0.00 0.35 1.56 -0.87 0.00 0.00 176.83 178.07 3d85 h GLN 68 N 0.00 0.41 -0.01 4.77 1.08 -1.94 -1.69 115.11 117.73 3d85 h GLN 68 Ca 0.00 -0.02 -0.00 0.00 -1.45 0.00 0.00 58.65 57.18 3d85 h GLN 68 Cb 0.99 -0.09 -0.00 0.00 -0.05 0.00 0.00 27.48 28.33 3d85 h GLN 68 CO 0.00 0.27 0.01 0.74 -0.95 0.00 0.00 178.83 178.89 3d85 h PHE 69 N 0.42 0.01 0.02 2.96 -1.00 -1.88 -0.77 116.94 116.70 3d85 h PHE 69 Ca 0.23 -0.00 0.01 0.00 2.81 0.00 0.00 57.97 61.02 3d85 h PHE 69 Cb 0.39 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.93 3d85 h PHE 69 CO -0.00 0.09 -0.05 0.00 -1.61 0.00 0.00 178.31 176.74 3d85 h LEU 71 N -0.09 0.32 -0.41 0.00 3.38 -1.23 0.42 115.31 117.69 3d85 h LEU 71 Ca 0.01 -0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3d85 h LEU 71 Cb 0.11 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3d85 h LEU 71 CO -0.04 0.29 -0.42 -0.61 0.09 0.00 0.00 178.44 177.76 3d85 h GLN 72 N 0.37 0.88 -0.48 1.13 4.15 -0.79 -0.22 115.11 120.15 3d85 h GLN 72 Ca 0.09 -0.48 -0.08 0.00 0.77 0.00 0.00 58.65 58.96 3d85 h GLN 72 Cb 0.07 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 3d85 h GLN 72 CO -0.01 1.12 -0.02 -0.09 -1.93 0.00 0.00 178.83 177.91 3d85 h ARG 73 N 0.71 0.80 -0.35 1.69 9.65 -0.55 -1.50 114.38 124.83 3d85 h ARG 73 Ca 0.05 -0.22 -0.15 0.00 -1.10 0.00 0.00 59.98 58.56 3d85 h ARG 73 Cb 1.00 -0.09 -0.01 0.00 -1.39 0.00 0.00 29.97 29.49 3d85 h ARG 73 CO 0.10 0.81 -0.35 0.82 2.80 0.00 0.00 179.97 184.15 3d85 h ILE 74 N 0.74 1.28 -0.55 1.20 2.04 -0.74 -1.66 117.51 119.82 3d85 h ILE 74 Ca 0.14 -1.53 0.02 0.00 1.00 0.00 0.00 64.86 64.50 3d85 h ILE 74 Cb 0.47 1.47 -0.03 0.00 -0.74 0.00 0.00 36.82 37.99 3d85 h ILE 74 CO 0.02 0.50 0.34 -0.74 0.00 0.00 0.00 178.15 178.27 3d85 h HIS 75 N 0.64 0.63 -0.63 1.37 2.76 -0.74 -0.45 115.15 118.74 3d85 h HIS 75 Ca 0.05 0.02 -0.08 0.00 -2.20 0.00 0.00 60.37 58.16 3d85 h HIS 75 Cb 0.94 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 29.67 3d85 h HIS 75 CO 0.07 0.37 0.06 0.37 -1.30 0.00 0.00 177.93 177.50 3d85 h GLN 76 N 0.67 1.05 -0.33 5.26 4.15 -1.20 -1.96 115.11 122.75 3d85 h GLN 76 Ca 0.22 -0.30 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 3d85 h GLN 76 Cb -0.00 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.56 3d85 h GLN 76 CO -0.08 0.99 0.19 0.78 -1.93 0.00 0.00 178.83 178.78 3d85 h GLY 77 N 1.02 0.49 1.20 2.39 0.00 -0.91 -1.29 103.07 105.98 3d85 h GLY 77 Ca 0.19 -0.22 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 3d85 h GLY 77 CO 0.02 0.21 0.42 1.41 0.00 0.00 0.00 176.54 178.60 3d85 h LEU 78 N 0.42 0.94 -0.72 3.11 3.38 -0.61 -1.22 115.31 120.60 3d85 h LEU 78 Ca 0.12 -0.07 -0.14 0.00 0.09 0.00 0.00 57.88 57.88 3d85 h LEU 78 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 3d85 h LEU 78 CO -0.02 0.75 -0.53 0.40 0.09 0.00 0.00 178.44 179.13 3d85 h ILE 79 N 1.06 1.36 -0.15 1.22 1.08 -1.22 -1.45 117.51 119.41 3d85 h ILE 79 Ca 0.27 -1.82 -0.01 0.00 -0.39 0.00 0.00 64.86 62.91 3d85 h ILE 79 Cb 0.02 1.87 -0.01 0.00 -3.07 0.00 0.00 36.82 35.63 3d85 h ILE 79 CO -0.04 0.54 0.05 0.15 -0.69 0.00 0.00 178.15 178.15 3d85 h PHE 80 N 0.22 0.25 -0.35 1.37 3.57 -0.36 -2.40 116.94 119.24 3d85 h PHE 80 Ca 0.00 -0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.34 3d85 h PHE 80 Cb 1.01 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 3d85 h PHE 80 CO 0.02 0.36 -0.32 1.88 -2.23 0.00 0.00 178.31 178.02 3d85 h TYR 81 N 0.06 0.90 -0.39 0.41 0.05 -1.17 -2.34 116.97 114.49 3d85 h TYR 81 Ca 0.05 -0.24 -0.07 0.00 0.05 0.00 0.00 58.73 58.52 3d85 h TYR 81 Cb 0.23 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 37.75 3d85 h TYR 81 CO 0.00 0.99 -0.04 1.05 -1.05 0.00 0.00 178.16 179.11 3d85 h GLU 82 N 0.65 0.64 -0.31 4.88 -0.00 -1.19 -0.46 114.58 118.80 3d85 h GLU 82 Ca 0.07 -0.17 -0.13 0.00 -0.00 0.00 0.00 59.36 59.13 3d85 h GLU 82 Cb 0.86 -0.08 -0.01 0.00 -0.00 0.00 0.00 28.75 29.52 3d85 h GLU 82 CO 0.08 0.69 -0.35 0.87 -0.00 0.00 0.00 179.01 180.29 3d85 h LYS 83 N 0.60 0.69 -0.41 1.06 1.57 -1.26 -2.15 116.57 116.67 3d85 h LYS 83 Ca 0.12 -0.33 -0.10 0.00 -1.87 0.00 0.00 60.65 58.47 3d85 h LYS 83 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 3d85 h LYS 83 CO 0.02 0.94 -0.12 -0.07 -0.57 0.00 0.00 179.45 179.65 3d85 h LEU 84 N 0.58 0.82 -1.30 2.94 3.38 -0.98 -2.64 115.31 118.10 3d85 h LEU 84 Ca 0.06 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.66 3d85 h LEU 84 Cb 0.87 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3d85 h LEU 84 CO 0.08 1.00 0.00 -0.07 0.09 0.00 0.00 178.44 179.54 3d85 h LEU 85 N 0.63 0.00 -1.78 1.67 4.07 -0.93 -2.42 115.31 116.54 3d85 h LEU 85 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.06 3d85 h LEU 85 Cb 0.65 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.39 3d85 h LEU 85 CO 0.04 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 178.01 3d85 n GLY 86 N -0.05 0.85 3.94 0.83 0.00 -0.82 -4.63 105.19 105.30 3d85 n GLY 86 Ca 0.01 -0.65 -0.24 0.00 0.00 0.00 0.00 46.02 45.13 3d85 n GLY 86 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3d85 s SER 87 N -1.99 5.42 0.32 1.61 1.04 -0.91 -4.81 113.70 114.37 3d85 s SER 87 Ca 0.30 0.41 0.19 0.00 0.48 0.00 0.00 55.95 57.32 3d85 s SER 87 Cb 0.20 -1.36 1.03 0.00 0.10 0.00 0.00 66.02 65.99 3d85 s SER 87 CO 0.31 -1.11 1.55 -0.90 0.98 0.00 0.00 173.24 174.07 3d85 n ASP 88 N -2.49 0.49 -0.35 7.02 5.68 -1.26 -0.62 116.55 125.03 3d85 n ASP 88 Ca 0.05 0.70 -0.01 0.00 -0.50 0.00 0.00 54.79 55.03 3d85 n ASP 88 Cb 0.59 -0.74 0.12 0.00 -1.14 0.00 0.00 41.12 39.95 3d85 n ASP 88 CO 0.00 0.00 0.00 0.40 -1.33 0.00 0.00 177.20 176.27 3d85 h ILE 89 N 0.00 1.18 0.00 2.12 2.04 -1.92 -1.35 117.51 119.58 3d85 h ILE 89 Ca 0.00 -0.42 -0.30 0.00 1.00 0.00 0.00 64.86 65.14 3d85 h ILE 89 Cb 0.17 -0.13 -0.06 0.00 -0.74 0.00 0.00 36.82 36.06 3d85 h ILE 89 CO 0.00 0.22 -2.24 0.49 0.00 0.00 0.00 178.15 176.62 3d85 n PHE 90 N -4.47 0.00 0.50 1.37 3.01 0.21 -4.44 117.46 113.64 3d85 n PHE 90 Ca 0.12 0.00 0.12 0.00 1.01 0.00 0.00 57.45 58.70 3d85 n PHE 90 Cb 0.07 -0.87 0.14 0.00 -0.01 0.00 0.00 39.48 38.80 3d85 n PHE 90 CO 0.00 0.00 0.00 1.79 1.01 0.00 0.00 176.76 179.56 3d85 h THR 91 N 0.00 0.00 -3.41 4.37 1.35 -1.26 -3.41 112.91 110.54 3d85 h THR 91 Ca -0.45 -0.56 -0.10 0.00 -0.55 0.00 0.00 66.41 64.74 3d85 h THR 91 Cb 2.02 1.13 0.02 0.00 -1.73 0.00 0.00 68.15 69.59 3d85 h THR 91 CO 0.02 0.00 0.04 0.61 -0.25 0.00 0.00 175.52 175.95 3d85 n GLY 92 N 1.31 0.26 3.80 5.82 0.00 -0.51 -4.92 105.19 110.95 3d85 n GLY 92 Ca 0.03 -1.90 -0.33 0.00 0.00 0.00 0.00 46.02 43.81 3d85 n GLY 92 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3d85 s GLU 93 N -3.14 3.48 0.14 1.61 8.01 -1.26 -3.55 118.70 124.00 3d85 s GLU 93 Ca 0.15 1.30 -0.31 0.00 0.01 0.00 0.00 54.97 56.12 3d85 s GLU 93 Cb -0.01 -2.05 -0.08 0.00 -4.31 0.00 0.00 34.13 27.68 3d85 s GLU 93 CO 0.10 -0.69 1.39 -2.14 0.01 0.00 0.00 175.26 173.93 3d85 s PRO 94 N -3.70 4.32 0.37 0.39 0.02 -1.26 -4.75 135.00 130.39 3d85 s PRO 94 Ca 0.66 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 63.50 3d85 s PRO 94 Cb -0.17 -3.22 -0.11 0.00 0.02 0.00 0.00 34.50 31.02 3d85 s PRO 94 CO 0.30 -0.41 1.45 0.43 -0.33 0.00 0.00 177.00 178.44 3d85 n SER 95 N 3.57 3.59 -4.75 2.53 7.64 -1.23 -4.96 113.62 120.01 3d85 n SER 95 Ca 0.10 1.22 -0.36 0.00 1.01 0.00 0.00 58.87 60.84 3d85 n SER 95 Cb 0.42 -1.59 0.03 0.00 -1.01 0.00 0.00 64.21 62.06 3d85 n SER 95 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3d85 s LEU 96 N -1.83 3.71 0.59 -3.43 1.43 -1.26 -4.99 118.68 112.91 3d85 s LEU 96 Ca 0.54 2.43 -0.12 0.00 -1.03 0.00 0.00 54.13 55.95 3d85 s LEU 96 Cb -0.49 -4.54 -0.05 0.00 0.03 0.00 0.00 46.19 41.14 3d85 s LEU 96 CO 0.63 -1.55 1.02 -0.76 0.23 0.00 0.00 176.35 175.92 3d85 s LEU 97 N -3.93 3.33 0.19 1.79 1.43 -1.26 -4.93 118.68 115.29 3d85 s LEU 97 Ca 0.76 1.45 0.17 0.00 -1.03 0.00 0.00 54.13 55.48 3d85 s LEU 97 Cb -0.32 -4.47 0.80 0.00 0.03 0.00 0.00 46.19 42.23 3d85 s LEU 97 CO 0.35 -0.80 1.52 -0.81 0.23 0.00 0.00 176.35 176.84 3d85 n PRO 98 N -2.47 0.11 0.00 1.29 -0.04 -1.26 -1.29 135.00 131.34 3d85 n PRO 98 Ca 0.06 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.14 3d85 n PRO 98 Cb 0.54 -1.77 0.47 0.00 -0.04 0.00 0.00 33.50 32.70 3d85 n PRO 98 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3d85 n ASP 99 N -1.99 1.00 -4.66 3.54 3.85 -1.26 -4.94 116.55 112.10 3d85 n ASP 99 Ca 0.01 -0.97 -0.43 0.00 -0.71 0.00 0.00 54.79 52.69 3d85 n ASP 99 Cb 0.11 0.06 -0.01 0.00 -1.35 0.00 0.00 41.12 39.93 3d85 n ASP 99 CO 0.00 0.00 0.00 -0.24 -1.01 0.00 0.00 177.20 175.95 3d85 n SER 100 N -0.53 2.18 -0.87 -1.12 2.88 -0.41 -4.87 113.62 110.88 3d85 n SER 100 Ca 0.14 1.19 0.09 0.00 -1.33 0.00 0.00 58.87 58.97 3d85 n SER 100 Cb 0.33 -1.41 0.24 0.00 -0.75 0.00 0.00 64.21 62.62 3d85 n SER 100 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3d85 n PRO 101 N 0.61 2.10 -0.07 -1.46 -0.04 -1.26 -4.27 135.00 130.61 3d85 n PRO 101 Ca 0.07 -1.70 0.00 0.00 -0.04 0.00 0.00 63.50 61.83 3d85 n PRO 101 Cb 0.35 -1.40 0.30 0.00 -0.04 0.00 0.00 33.50 32.71 3d85 n PRO 101 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3d85 h VAL 102 N 2.91 1.18 0.04 0.52 2.07 -1.95 0.30 116.25 121.32 3d85 h VAL 102 Ca 0.00 -0.55 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3d85 h VAL 102 Cb 0.66 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.01 3d85 h VAL 102 CO 0.00 0.22 -0.08 1.23 0.02 0.00 0.00 177.57 178.96 3d85 h GLY 103 N 0.83 -0.13 1.16 2.17 0.00 -1.97 -0.21 103.07 104.93 3d85 h GLY 103 Ca 0.17 0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.47 3d85 h GLY 103 CO -0.02 -0.09 -0.17 1.46 0.00 0.00 0.00 176.54 177.73 3d85 h GLN 104 N -0.16 0.97 -0.15 4.80 4.20 -1.78 -2.24 115.11 120.74 3d85 h GLN 104 Ca 0.02 -0.38 0.02 0.00 0.06 0.00 0.00 58.65 58.36 3d85 h GLN 104 Cb 0.18 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 3d85 h GLN 104 CO -0.05 1.05 0.03 1.25 -0.67 0.00 0.00 178.83 180.44 3d85 h LEU 105 N 0.85 0.02 -0.15 1.46 5.85 -0.76 0.60 115.31 123.18 3d85 h LEU 105 Ca 0.12 0.02 0.03 0.00 0.84 0.00 0.00 57.88 58.89 3d85 h LEU 105 Cb 0.73 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.76 3d85 h LEU 105 CO 0.06 0.04 -0.01 -0.74 -0.34 0.00 0.00 178.44 177.45 3d85 h HIS 106 N 0.10 -0.02 -0.97 1.25 2.76 -0.87 0.91 115.15 118.31 3d85 h HIS 106 Ca 0.06 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 3d85 h HIS 106 Cb 0.05 0.03 -0.05 0.00 1.55 0.00 0.00 27.41 29.00 3d85 h HIS 106 CO -0.12 -0.03 0.62 0.00 -1.30 0.00 0.00 177.93 177.10 3d85 h ALA 107 N 1.13 1.27 -0.46 5.26 0.00 -1.18 -1.46 119.26 123.82 3d85 h ALA 107 Ca 0.07 -0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.78 3d85 h ALA 107 Cb 0.09 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.47 3d85 h ALA 107 CO -0.13 0.66 -0.19 0.77 0.00 0.00 0.00 179.25 180.37 3d85 h SER 108 N 1.33 0.92 -0.82 0.00 0.02 -0.18 0.19 113.55 115.01 3d85 h SER 108 Ca 0.35 -0.33 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3d85 h SER 108 Cb -0.12 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.13 3d85 h SER 108 CO -0.07 1.08 0.45 -0.07 -1.14 0.00 0.00 176.83 177.08 3d85 h LEU 109 N 0.79 1.02 -0.18 5.07 3.38 -0.46 0.04 115.31 124.97 3d85 h LEU 109 Ca 0.11 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 3d85 h LEU 109 Cb 0.73 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 3d85 h LEU 109 CO 0.06 0.82 -0.07 -0.07 0.09 0.00 0.00 178.44 179.27 3d85 h LEU 110 N 1.13 0.37 -0.56 1.67 3.38 -0.96 -1.59 115.31 118.76 3d85 h LEU 110 Ca 0.29 -0.39 0.11 0.00 0.09 0.00 0.00 57.88 57.98 3d85 h LEU 110 Cb 0.03 -0.10 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 3d85 h LEU 110 CO -0.05 0.68 0.00 1.23 0.09 0.00 0.00 178.44 180.39 3d85 h GLY 111 N 0.05 0.58 0.93 0.83 0.00 -0.19 -1.37 103.07 103.91 3d85 h GLY 111 Ca 0.04 0.07 -0.11 0.00 0.00 0.00 0.00 47.33 47.33 3d85 h GLY 111 CO 0.02 -0.17 -0.29 -2.00 0.00 0.00 0.00 176.54 174.11 3d85 h LEU 112 N 0.12 0.69 -1.55 3.11 5.85 -0.95 -2.87 115.31 119.71 3d85 h LEU 112 Ca 0.29 -0.49 0.04 0.00 0.84 0.00 0.00 57.88 58.56 3d85 h LEU 112 Cb 0.45 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 3d85 h LEU 112 CO -0.47 1.04 0.35 0.77 -0.34 0.00 0.00 178.44 179.79 3d85 h SER 113 N 0.36 0.50 -0.63 1.25 4.64 -0.88 -1.88 113.55 116.91 3d85 h SER 113 Ca 0.04 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.26 3d85 h SER 113 Cb 0.86 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3d85 h SER 113 CO 0.07 0.34 0.03 1.56 -0.87 0.00 0.00 176.83 177.96 3d85 h GLN 114 N 0.58 1.10 0.00 4.77 4.20 -1.09 -2.19 115.11 122.48 3d85 h GLN 114 Ca 0.21 -0.33 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 3d85 h GLN 114 Cb 0.13 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.80 3d85 h GLN 114 CO -0.06 1.05 -0.00 -0.07 -0.67 0.00 0.00 178.83 179.08 3d85 h LEU 115 N 1.00 0.00 0.03 1.46 3.38 -1.13 -1.65 115.31 118.40 3d85 h LEU 115 Ca 0.18 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.85 3d85 h LEU 115 Cb 0.53 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.24 3d85 h LEU 115 CO 0.03 0.00 -1.75 -0.07 0.09 0.00 0.00 178.44 176.74 3d85 h LEU 116 N 0.00 0.11 -5.07 1.67 3.38 -1.15 -3.44 115.31 110.81 3d85 h LEU 116 Ca -0.00 -0.23 -0.17 0.00 0.09 0.00 0.00 57.88 57.57 3d85 h LEU 116 Cb 0.31 -0.03 -0.17 0.00 0.09 0.00 0.00 40.66 40.86 3d85 h LEU 116 CO 0.00 1.21 -0.51 -1.10 0.09 0.00 0.00 178.44 178.13 3d85 s GLN 117 N -2.59 1.07 -0.18 1.13 -0.21 -0.90 -5.06 119.66 112.93 3d85 s GLN 117 Ca -0.09 -1.11 -0.30 0.00 0.02 0.00 0.00 55.36 53.89 3d85 s GLN 117 Cb 0.08 -0.11 -0.35 0.00 1.00 0.00 0.00 33.01 33.63 3d85 s GLN 117 CO 0.81 -1.33 1.67 -2.30 -2.12 0.00 0.00 175.29 172.03 3d85 n PRO 118 N 2.95 0.08 0.00 2.91 -0.02 -0.63 -4.66 135.00 135.63 3d85 n PRO 118 Ca 0.18 -1.13 0.00 0.00 -2.02 0.00 0.00 63.50 60.53 3d85 n PRO 118 Cb 0.56 -2.71 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3d85 n PRO 118 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 3d85 n LEU 131 N 10.40 0.00 -4.72 2.45 4.77 -1.26 -5.12 117.00 123.51 3d85 n LEU 131 Ca 0.46 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 56.18 3d85 n LEU 131 Cb 0.43 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.44 3d85 n LEU 131 CO 1.11 0.00 -0.19 -0.94 -1.33 0.00 0.00 177.39 176.05 3d85 s SER 132 N 0.00 4.27 0.32 -1.43 1.04 -1.26 -5.10 113.70 111.55 3d85 s SER 132 Ca 0.00 -1.21 -0.29 0.00 0.48 0.00 0.00 55.95 54.93 3d85 s SER 132 Cb 0.00 -0.34 -0.12 0.00 0.10 0.00 0.00 66.02 65.66 3d85 s SER 132 CO 0.00 -0.57 1.41 -0.81 0.98 0.00 0.00 173.24 174.24 3d85 n PRO 133 N -1.20 2.31 -3.97 4.02 -0.04 -1.26 -4.98 135.00 129.88 3d85 n PRO 133 Ca -0.03 0.82 -0.31 0.00 -0.04 0.00 0.00 63.50 63.93 3d85 n PRO 133 Cb 0.65 -2.48 -0.05 0.00 -0.04 0.00 0.00 33.50 31.59 3d85 n PRO 133 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3d85 s SER 134 N -0.01 6.06 0.14 3.54 1.04 -1.26 -5.09 113.70 118.13 3d85 s SER 134 Ca 0.59 0.19 -0.30 0.00 0.48 0.00 0.00 55.95 56.92 3d85 s SER 134 Cb -0.56 -1.80 -0.07 0.00 0.10 0.00 0.00 66.02 63.70 3d85 s SER 134 CO 0.57 0.20 1.04 -1.10 0.98 0.00 0.00 173.24 174.93 3d85 s GLN 135 N -2.30 4.64 0.23 4.02 -1.52 -1.26 -4.94 119.66 118.52 3d85 s GLN 135 Ca 0.31 1.59 -0.07 0.00 -1.95 0.00 0.00 55.36 55.24 3d85 s GLN 135 Cb -0.13 -3.33 0.29 0.00 -0.22 0.00 0.00 33.01 29.62 3d85 s GLN 135 CO 0.23 0.13 1.83 -1.35 -0.25 0.00 0.00 175.29 175.88 3d85 h PRO 136 N 5.42 0.80 0.00 2.91 0.11 -1.99 -1.44 132.00 137.82 3d85 h PRO 136 Ca -0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3d85 h PRO 136 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.14 3d85 h PRO 136 CO 0.73 0.53 0.00 0.11 -0.21 0.00 0.00 178.00 179.15 3d85 h TRP 137 N 0.82 0.00 0.00 0.65 5.08 -1.93 -2.24 115.95 118.34 3d85 h TRP 137 Ca 0.34 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.31 3d85 h TRP 137 Cb 0.19 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.35 3d85 h TRP 137 CO -0.06 0.00 -0.87 1.04 -1.28 0.00 0.00 178.44 177.27 3d85 n GLN 138 N -2.50 0.12 -0.20 0.12 6.02 -0.55 -4.64 117.38 115.75 3d85 n GLN 138 Ca -0.01 -0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.88 3d85 n GLN 138 Cb 0.12 -1.54 0.03 0.00 1.02 0.00 0.00 30.24 29.87 3d85 n GLN 138 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d85 h ARG 139 N 0.00 1.06 -0.76 -1.09 3.08 -1.27 -1.50 114.38 113.89 3d85 h ARG 139 Ca 0.00 -0.36 0.00 0.00 0.07 0.00 0.00 59.98 59.70 3d85 h ARG 139 Cb 0.60 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.53 3d85 h ARG 139 CO 0.00 1.06 0.50 -0.07 -1.07 0.00 0.00 179.97 180.38 3d85 h LEU 140 N 0.95 0.89 -0.29 3.04 3.38 -1.82 0.15 115.31 121.60 3d85 h LEU 140 Ca 0.16 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.97 3d85 h LEU 140 Cb 0.61 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3d85 h LEU 140 CO 0.04 0.65 -0.33 0.25 0.09 0.00 0.00 178.44 179.14 3d85 h LEU 141 N 1.04 0.80 -0.68 1.67 5.85 -1.86 -2.16 115.31 119.97 3d85 h LEU 141 Ca 0.28 -0.48 0.01 0.00 0.84 0.00 0.00 57.88 58.52 3d85 h LEU 141 Cb -0.10 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.67 3d85 h LEU 141 CO -0.06 1.12 0.45 -0.07 -0.34 0.00 0.00 178.44 179.54 3d85 h LEU 142 N 0.49 0.77 -0.79 2.25 3.38 -0.86 -1.14 115.31 119.40 3d85 h LEU 142 Ca 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3d85 h LEU 142 Cb 0.91 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.44 3d85 h LEU 142 CO 0.08 0.55 0.40 0.03 0.09 0.00 0.00 178.44 179.59 3d85 h ARG 143 N 0.91 1.14 -0.20 1.13 3.08 -0.65 -0.60 114.38 119.18 3d85 h ARG 143 Ca 0.25 -0.16 -0.01 0.00 0.07 0.00 0.00 59.98 60.14 3d85 h ARG 143 Cb -0.09 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 29.74 3d85 h ARG 143 CO -0.06 0.87 0.10 0.35 -1.07 0.00 0.00 179.97 180.16 3d85 h PHE 144 N 1.12 0.28 -0.83 3.04 3.57 -1.09 -1.21 116.94 121.82 3d85 h PHE 144 Ca 0.27 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 3d85 h PHE 144 Cb 0.10 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 3d85 h PHE 144 CO 0.01 0.28 0.46 0.87 -2.23 0.00 0.00 178.31 177.70 3d85 h LYS 145 N 0.20 1.15 -0.53 1.11 1.57 -0.80 -1.11 116.57 118.17 3d85 h LYS 145 Ca 0.07 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.64 3d85 h LYS 145 Cb 0.10 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 3d85 h LYS 145 CO -0.01 0.85 0.04 0.82 -0.57 0.00 0.00 179.45 180.57 3d85 h ILE 146 N 1.15 1.26 -0.03 1.86 2.04 -1.05 -1.88 117.51 120.86 3d85 h ILE 146 Ca 0.29 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 65.02 3d85 h ILE 146 Cb 0.03 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 36.99 3d85 h ILE 146 CO -0.05 0.37 -0.44 -0.07 0.00 0.00 0.00 178.15 177.97 3d85 h LEU 147 N 0.78 0.08 -0.26 1.44 3.38 -0.87 0.90 115.31 120.77 3d85 h LEU 147 Ca 0.15 -0.03 -0.13 0.00 0.09 0.00 0.00 57.88 57.96 3d85 h LEU 147 Cb 0.48 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 3d85 h LEU 147 CO 0.02 0.51 -0.34 0.03 0.09 0.00 0.00 178.44 178.75 3d85 h ARG 148 N 0.06 0.69 -0.35 1.13 2.47 -1.00 -1.24 114.38 116.14 3d85 h ARG 148 Ca 0.00 -0.39 -0.09 0.00 -1.26 0.00 0.00 59.98 58.24 3d85 h ARG 148 Cb 0.80 0.03 -0.02 0.00 -1.65 0.00 0.00 29.97 29.13 3d85 h ARG 148 CO 0.06 1.01 -0.17 1.03 0.56 0.00 0.00 179.97 182.46 3d85 h SER 149 N 0.41 0.63 -0.43 7.04 0.87 -1.18 -2.66 113.55 118.23 3d85 h SER 149 Ca 0.03 -0.19 -0.09 0.00 -1.23 0.00 0.00 61.79 60.31 3d85 h SER 149 Cb 0.93 -0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.70 3d85 h SER 149 CO 0.08 0.81 -0.04 0.25 -0.53 0.00 0.00 176.83 177.40 3d85 h LEU 150 N 0.57 0.83 -0.72 2.23 5.85 -0.61 -1.95 115.31 121.51 3d85 h LEU 150 Ca 0.09 -0.23 0.02 0.00 0.84 0.00 0.00 57.88 58.61 3d85 h LEU 150 Cb 0.61 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.37 3d85 h LEU 150 CO 0.04 0.92 0.47 1.56 -0.34 0.00 0.00 178.44 181.09 3d85 h GLN 151 N 0.79 0.90 -0.43 1.25 4.20 -0.87 -0.48 115.11 120.45 3d85 h GLN 151 Ca 0.14 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.68 3d85 h GLN 151 Cb 0.53 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3d85 h GLN 151 CO 0.03 0.59 -0.18 0.00 -0.67 0.00 0.00 178.83 178.60 3d85 h ALA 152 N 1.29 0.61 -0.04 3.87 0.00 -1.30 -2.65 119.26 121.04 3d85 h ALA 152 Ca 0.28 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3d85 h ALA 152 Cb -0.03 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3d85 h ALA 152 CO -0.09 0.56 0.02 0.35 0.00 0.00 0.00 179.25 180.08 3d85 h PHE 153 N 0.72 0.06 -0.05 0.00 3.57 -1.05 -2.53 116.94 117.67 3d85 h PHE 153 Ca 0.10 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 3d85 h PHE 153 Cb 0.74 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 3d85 h PHE 153 CO 0.05 0.20 -0.12 -0.39 -2.23 0.00 0.00 178.31 175.83 3d85 h VAL 154 N -0.10 1.11 -0.39 1.41 -1.51 -1.10 -1.62 116.25 114.06 3d85 h VAL 154 Ca 0.01 -0.52 -0.13 0.00 -1.23 0.00 0.00 66.70 64.83 3d85 h VAL 154 Cb 0.17 1.21 -0.01 0.00 -2.13 0.00 0.00 31.29 30.53 3d85 h VAL 154 CO -0.00 0.15 -0.27 0.00 -1.23 0.00 0.00 177.57 176.23 3d85 h ALA 155 N 1.82 0.56 -0.32 5.19 0.00 -1.32 0.20 119.26 125.38 3d85 h ALA 155 Ca 0.01 -0.40 -0.00 0.00 0.00 0.00 0.00 54.91 54.52 3d85 h ALA 155 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3d85 h ALA 155 CO 0.02 0.58 0.19 0.28 0.00 0.00 0.00 179.25 180.31 3d85 h VAL 156 N 0.68 1.12 -0.75 0.00 2.07 -0.99 -1.94 116.25 116.45 3d85 h VAL 156 Ca 0.08 -0.31 -0.04 0.00 0.82 0.00 0.00 66.70 67.25 3d85 h VAL 156 Cb 0.84 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3d85 h VAL 156 CO 0.07 0.12 0.32 0.00 0.02 0.00 0.00 177.57 178.11 3d85 h ALA 157 N 1.06 1.15 -0.73 1.67 0.00 -1.09 -1.72 119.26 119.59 3d85 h ALA 157 Ca 0.11 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 3d85 h ALA 157 Cb 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 17.49 3d85 h ALA 157 CO -0.02 0.62 0.35 0.00 0.00 0.00 0.00 179.25 180.20 3d85 h ALA 158 N 1.27 1.23 -0.38 0.00 0.00 -0.25 -1.47 119.26 119.67 3d85 h ALA 158 Ca 0.25 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3d85 h ALA 158 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3d85 h ALA 158 CO -0.03 0.59 -0.40 0.00 0.00 0.00 0.00 179.25 179.42 3d85 h ARG 159 N 1.04 0.93 0.20 0.00 3.08 -0.86 -0.98 114.38 117.80 3d85 h ARG 159 Ca 0.25 -0.49 -0.00 0.00 0.07 0.00 0.00 59.98 59.81 3d85 h ARG 159 Cb 0.11 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3d85 h ARG 159 CO -0.03 1.15 -0.16 0.28 -1.07 0.00 0.00 179.97 180.13 3d85 h VAL 160 N 0.75 0.64 -0.28 2.04 2.07 -1.06 -1.00 116.25 119.41 3d85 h VAL 160 Ca 0.06 0.00 -0.09 0.00 0.82 0.00 0.00 66.70 67.49 3d85 h VAL 160 Cb 0.99 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 3d85 h VAL 160 CO 0.10 0.00 -0.21 -0.26 0.02 0.00 0.00 177.57 177.21 3d85 h PHE 161 N -0.38 0.59 -0.30 1.57 0.04 -1.25 -0.59 116.94 116.62 3d85 h PHE 161 Ca -0.01 -0.12 -0.07 0.00 2.80 0.00 0.00 57.97 60.58 3d85 h PHE 161 Cb 0.34 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 3d85 h PHE 161 CO -0.12 0.71 -0.08 0.00 -0.60 0.00 0.00 178.31 178.22 3d85 h ALA 162 N 1.30 0.41 -0.02 2.45 0.00 -1.08 -0.62 119.26 121.70 3d85 h ALA 162 Ca 0.07 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 3d85 h ALA 162 Cb 0.63 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3d85 h ALA 162 CO 0.05 0.24 0.01 1.25 0.00 0.00 0.00 179.25 180.80 3d85 h HIS 163 N 0.34 0.03 -0.70 0.00 -0.00 -1.06 -1.77 115.15 112.01 3d85 h HIS 163 Ca 0.07 -0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.51 3d85 h HIS 163 Cb 0.57 -0.01 -0.06 0.00 -0.00 0.00 0.00 27.41 27.91 3d85 h HIS 163 CO 0.05 0.16 0.39 0.78 -0.00 0.00 0.00 177.93 179.31 3d85 h GLY 164 N -0.10 1.03 1.05 5.26 0.00 -1.08 0.20 103.07 109.42 3d85 h GLY 164 Ca 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3d85 h GLY 164 CO -0.00 0.15 0.49 0.00 0.00 0.00 0.00 176.54 177.19 3d85 h ALA 165 N 1.37 1.18 0.00 3.60 0.00 -1.00 0.43 119.26 124.84 3d85 h ALA 165 Ca 0.32 -0.13 -0.19 0.00 0.00 0.00 0.00 54.91 54.91 3d85 h ALA 165 Cb 0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3d85 h ALA 165 CO -0.19 0.66 -0.98 0.00 0.00 0.00 0.00 179.25 178.74 3d85 h ALA 166 N 1.29 0.53 -0.00 0.00 0.00 -0.39 -3.39 119.26 117.29 3d85 h ALA 166 Ca 0.32 -0.84 0.00 0.00 0.00 0.00 0.00 54.91 54.39 3d85 h ALA 166 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3d85 h ALA 166 CO -0.05 1.08 -0.03 0.25 0.00 0.00 0.00 179.25 180.50 3d85 n THR 167 N -3.23 0.00 -0.80 0.00 -2.24 0.61 -5.09 114.28 103.53 3d85 n THR 167 Ca -0.02 -0.49 0.00 0.00 -2.27 0.00 0.00 64.05 61.27 3d85 n THR 167 Cb 0.88 1.01 0.00 0.00 -2.10 0.00 0.00 70.33 70.12 3d85 n THR 167 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68