#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pos s GLU 2 N 0.00 4.26 0.00 -0.99 2.56 -1.26 -4.89 118.70 118.37 2pos s GLU 2 Ca 0.00 1.98 0.07 0.00 0.00 0.00 0.00 54.97 57.02 2pos s GLU 2 Cb 0.00 -3.66 -0.02 0.00 2.00 0.00 0.00 34.13 32.45 2pos s GLU 2 CO 0.00 -0.64 0.48 0.39 -0.56 0.00 0.00 175.26 174.93 2pos n GLU 3 N 5.79 2.78 0.00 4.30 -0.58 -1.26 -4.56 120.64 127.11 2pos n GLU 3 Ca 0.14 -0.40 0.00 0.00 -0.42 0.00 0.00 57.16 56.48 2pos n GLU 3 Cb 0.43 -0.96 0.00 0.00 -0.57 0.00 0.00 31.44 30.35 2pos n GLU 3 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 2pos n THR 4 N -0.49 0.00 -1.85 2.62 -2.24 -1.26 -4.94 114.28 106.12 2pos n THR 4 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.38 2pos n THR 4 Cb 0.14 -0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 68.10 2pos n THR 4 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 2pos s LYS 5 N -1.29 4.17 0.27 -0.78 2.20 -1.26 -4.82 119.74 118.23 2pos s LYS 5 Ca 0.00 2.40 -0.29 0.00 -0.36 0.00 0.00 55.97 57.71 2pos s LYS 5 Cb 0.00 -3.92 -0.09 0.00 -1.51 0.00 0.00 37.83 32.31 2pos s LYS 5 CO 0.00 -0.86 1.09 -1.21 -0.36 0.00 0.00 175.35 174.02 2pos s GLU 6 N 3.74 4.65 0.57 4.03 2.02 -1.26 -0.66 118.70 131.78 2pos s GLU 6 Ca 0.79 1.79 -0.19 0.00 0.02 0.00 0.00 54.97 57.38 2pos s GLU 6 Cb -0.39 -3.20 -0.04 0.00 0.10 0.00 0.00 34.13 30.60 2pos s GLU 6 CO 0.35 0.21 1.15 0.00 0.02 0.00 0.00 175.26 176.99 2pos s ALA 8 N -1.81 2.45 0.62 0.00 0.00 -1.26 -4.89 121.76 116.86 2pos s ALA 8 Ca 0.73 0.81 0.33 0.00 0.00 0.00 0.00 51.96 53.84 2pos s ALA 8 Cb -0.25 -3.40 1.94 0.00 0.00 0.00 0.00 23.12 21.40 2pos s ALA 8 CO 0.31 -1.30 2.23 0.35 0.00 0.00 0.00 175.76 177.35 2pos h PHE 9 N 0.41 0.00 0.00 0.00 3.57 -2.00 -0.81 116.94 118.11 2pos h PHE 9 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2pos h PHE 9 Cb 1.28 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.02 2pos h PHE 9 CO 0.50 0.00 0.00 1.79 -2.23 0.00 0.00 178.31 178.37 2pos h THR 10 N 0.00 0.00 0.00 4.41 1.35 -2.00 0.05 112.91 116.73 2pos h THR 10 Ca 0.02 -0.08 -0.07 0.00 -0.55 0.00 0.00 66.41 65.74 2pos h THR 10 Cb 0.15 0.88 -0.01 0.00 -1.73 0.00 0.00 68.15 67.44 2pos h THR 10 CO -0.00 0.00 -0.32 -0.33 -0.25 0.00 0.00 175.52 174.62 2pos h GLU 11 N 0.00 0.00 -0.23 4.72 4.39 -1.51 -0.80 114.58 121.16 2pos h GLU 11 Ca 0.00 0.00 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 2pos h GLU 11 Cb 0.09 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.73 2pos h GLU 11 CO 0.00 0.32 -0.05 0.74 -1.16 0.00 0.00 179.01 178.86 2pos h PHE 12 N 0.00 0.48 0.00 4.33 -1.00 -1.17 -3.13 116.94 116.45 2pos h PHE 12 Ca -0.00 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.65 2pos h PHE 12 Cb 0.67 -0.12 -0.00 0.00 3.61 0.00 0.00 35.95 40.11 2pos h PHE 12 CO 0.00 0.66 -0.12 0.74 -1.61 0.00 0.00 178.31 177.97 2pos h PHE 13 N 0.17 0.00 0.00 -0.55 0.05 -1.40 -2.24 116.94 112.97 2pos h PHE 13 Ca 0.06 0.00 -0.00 0.00 3.82 0.00 0.00 57.97 61.85 2pos h PHE 13 Cb 0.50 0.00 -0.00 0.00 2.00 0.00 0.00 35.95 38.45 2pos h PHE 13 CO 0.05 0.12 -0.01 -0.22 -0.18 0.00 0.00 178.31 178.08 2pos h LYS 14 N 0.00 0.00 -0.00 1.51 3.64 -1.11 -1.93 116.57 118.68 2pos h LYS 14 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2pos h LYS 14 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2pos h LYS 14 CO 0.02 0.01 -0.00 1.28 -2.27 0.00 0.00 179.45 178.48 2pos n LEU 15 N -3.64 0.00 -0.27 5.20 4.77 -0.84 -4.34 117.00 117.88 2pos n LEU 15 Ca -0.03 0.32 0.07 0.00 -0.03 0.00 0.00 56.01 56.34 2pos n LEU 15 Cb 0.09 -0.32 0.21 0.00 -2.33 0.00 0.00 43.42 41.07 2pos n LEU 15 CO 0.26 0.00 0.99 0.00 -1.33 0.00 0.00 177.39 177.31 2pos h ALA 16 N 3.36 1.11 -0.03 -1.18 0.00 -1.51 -1.26 119.26 119.75 2pos h ALA 16 Ca 0.00 0.15 0.01 0.00 0.00 0.00 0.00 54.91 55.06 2pos h ALA 16 Cb 0.32 0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 2pos h ALA 16 CO 0.00 -0.28 0.06 -1.35 0.00 0.00 0.00 179.25 177.68 2pos h PRO 17 N 0.37 0.00 0.00 0.00 0.11 -1.84 -2.42 132.00 128.22 2pos h PRO 17 Ca 0.45 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.51 2pos h PRO 17 Cb 0.75 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.86 2pos h PRO 17 CO -0.47 0.00 -0.22 -0.07 -0.21 0.00 0.00 178.00 177.03 2pos h LEU 18 N 0.00 0.00 -1.81 2.35 3.38 -1.55 -3.10 115.31 114.59 2pos h LEU 18 Ca 0.01 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.15 2pos h LEU 18 Cb 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.85 2pos h LEU 18 CO -0.00 0.22 0.47 0.00 0.09 0.00 0.00 178.44 179.22 2pos h ALA 19 N 1.78 2.37 -0.35 1.53 0.00 -1.59 -0.71 119.26 122.29 2pos h ALA 19 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2pos h ALA 19 Cb 0.46 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pos h ALA 19 CO 0.03 -0.57 0.00 -1.13 0.00 0.00 0.00 179.25 177.58 2pos n SER 20 N -4.41 3.27 -4.63 0.00 3.41 -1.17 -4.92 113.62 105.17 2pos n SER 20 Ca 0.13 -1.94 -0.42 0.00 -0.26 0.00 0.00 58.87 56.38 2pos n SER 20 Cb 0.62 -0.23 -0.05 0.00 -0.26 0.00 0.00 64.21 64.30 2pos n SER 20 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2pos s ASN 21 N -1.36 6.75 0.62 4.04 3.84 -0.27 -4.93 114.94 123.62 2pos s ASN 21 Ca 0.35 0.88 0.36 0.00 0.21 0.00 0.00 52.86 54.65 2pos s ASN 21 Cb 0.20 -2.42 2.08 0.00 -0.55 0.00 0.00 41.25 40.57 2pos s ASN 21 CO 0.28 -0.53 2.30 1.55 -2.79 0.00 0.00 177.10 177.91 2pos h PRO 22 N 7.85 0.00 0.00 0.43 0.13 -1.91 -1.68 132.00 136.82 2pos h PRO 22 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 2pos h PRO 22 Cb 1.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.22 2pos h PRO 22 CO 0.87 0.00 -0.26 0.00 -0.23 0.00 0.00 178.00 178.38 2pos h ALA 23 N 1.99 1.23 0.56 -0.56 0.00 -1.92 -3.21 119.26 117.35 2pos h ALA 23 Ca 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 2pos h ALA 23 Cb 0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2pos h ALA 23 CO -0.00 0.33 -0.43 1.25 0.00 0.00 0.00 179.25 180.40 2pos h LEU 24 N 0.00 -1.12 -0.76 0.00 5.85 -1.59 -0.85 115.31 116.84 2pos h LEU 24 Ca -0.00 0.08 -0.09 0.00 0.84 0.00 0.00 57.88 58.71 2pos h LEU 24 Cb 0.60 0.35 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 2pos h LEU 24 CO 0.03 -0.62 -0.03 0.77 -0.34 0.00 0.00 178.44 178.25 2pos h SER 25 N -0.96 0.89 -0.18 1.25 4.64 -1.73 -1.37 113.55 116.08 2pos h SER 25 Ca -0.07 -0.25 -0.01 0.00 -0.47 0.00 0.00 61.79 60.99 2pos h SER 25 Cb 0.81 -0.24 -0.01 0.00 -0.31 0.00 0.00 62.40 62.65 2pos h SER 25 CO 0.01 0.97 0.06 0.58 -0.87 0.00 0.00 176.83 177.58 2pos h VAL 26 N 0.83 1.18 -0.12 0.95 2.07 -1.55 0.50 116.25 120.12 2pos h VAL 26 Ca 0.15 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2pos h VAL 26 Cb 0.54 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.51 2pos h VAL 26 CO 0.03 0.17 0.06 0.00 0.02 0.00 0.00 177.57 177.85 2pos h GLN 28 N 0.08 0.43 -0.31 0.00 4.20 -1.14 -1.86 115.11 116.51 2pos h GLN 28 Ca 0.04 -0.03 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2pos h GLN 28 Cb 0.09 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 27.76 2pos h GLN 28 CO -0.01 0.29 -0.15 -0.44 -0.67 0.00 0.00 178.83 177.86 2pos h ASP 29 N 0.45 0.54 0.83 1.46 3.32 -0.86 0.42 116.42 122.57 2pos h ASP 29 Ca 0.12 -0.15 -0.12 0.00 0.02 0.00 0.00 57.03 56.90 2pos h ASP 29 Cb -0.05 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.34 2pos h ASP 29 CO -0.03 0.71 -0.55 0.00 -1.72 0.00 0.00 179.24 177.65 2pos h ALA 30 N 1.34 0.89 0.00 3.45 0.00 -0.82 -3.37 119.26 120.76 2pos h ALA 30 Ca 0.09 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2pos h ALA 30 Cb 0.55 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2pos h ALA 30 CO 0.03 0.69 -0.99 -1.13 0.00 0.00 0.00 179.25 177.85 2pos n SER 31 N -3.60 4.11 0.00 0.00 3.41 -0.73 -4.84 113.62 111.98 2pos n SER 31 Ca -0.00 -0.05 0.00 0.00 -0.26 0.00 0.00 58.87 58.55 2pos n SER 31 Cb 0.62 1.08 0.00 0.00 -0.26 0.00 0.00 64.21 65.65 2pos n SER 31 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pos n GLY 32 N 2.26 2.38 3.73 5.00 0.00 0.13 -4.44 105.19 114.24 2pos n GLY 32 Ca -0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2pos n GLY 32 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2pos s TRP 33 N -3.24 3.72 -0.11 1.61 -0.00 -1.25 -5.02 118.94 114.64 2pos s TRP 33 Ca 0.00 1.55 -0.01 0.00 -0.00 0.00 0.00 56.10 57.64 2pos s TRP 33 Cb 0.00 -2.92 -0.02 0.00 -0.00 0.00 0.00 33.47 30.53 2pos s TRP 33 CO 0.00 0.18 -0.09 -0.65 -0.00 0.00 0.00 176.95 176.39 2pos s GLN 34 N 0.27 3.22 -0.20 5.86 -1.52 -1.26 -4.16 119.66 121.86 2pos s GLN 34 Ca 0.42 -0.60 0.02 0.00 -1.95 0.00 0.00 55.36 53.25 2pos s GLN 34 Cb -0.21 -2.68 -0.21 0.00 -0.22 0.00 0.00 33.01 29.70 2pos s GLN 34 CO 0.25 0.38 0.01 -0.12 -0.25 0.00 0.00 175.29 175.55 2pos n MET 35 N 3.07 0.68 -3.97 2.91 0.00 -1.26 -1.56 117.12 116.99 2pos n MET 35 Ca -0.18 0.17 -0.31 0.00 -0.00 0.00 0.00 57.70 57.38 2pos n MET 35 Cb 0.53 -1.58 -0.15 0.00 0.00 0.00 0.00 33.22 32.01 2pos n MET 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 175.97 175.46 2pos s LEU 36 N -6.51 3.18 0.70 -0.89 1.43 -1.26 -1.29 118.68 114.04 2pos s LEU 36 Ca -0.27 -1.46 -0.14 0.00 -1.03 0.00 0.00 54.13 51.23 2pos s LEU 36 Cb 0.08 -1.33 0.02 0.00 0.03 0.00 0.00 46.19 44.99 2pos s LEU 36 CO 0.68 -0.27 1.10 -2.84 0.23 0.00 0.00 176.35 175.26 2pos s PRO 37 N 1.25 2.63 -0.06 1.29 0.02 -1.26 -5.06 135.00 133.80 2pos s PRO 37 Ca -0.02 1.32 -0.30 0.00 0.02 0.00 0.00 61.00 62.02 2pos s PRO 37 Cb -0.19 -1.93 -0.05 0.00 0.02 0.00 0.00 34.50 32.35 2pos s PRO 37 CO -0.08 -1.38 1.53 -1.25 -0.33 0.00 0.00 177.00 175.49 2pos s PRO 38 N -4.35 4.21 0.35 5.54 0.04 -0.41 -4.72 135.00 135.65 2pos s PRO 38 Ca 0.65 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.97 2pos s PRO 38 Cb -0.19 -3.84 0.23 0.00 0.04 0.00 0.00 34.50 30.73 2pos s PRO 38 CO 0.46 -0.76 1.41 0.00 0.04 0.00 0.00 177.00 178.14 2pos h ALA 39 N 8.89 0.81 0.00 8.56 0.00 -1.54 -3.48 119.26 132.50 2pos h ALA 39 Ca -0.37 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2pos h ALA 39 Cb 1.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2pos h ALA 39 CO 0.95 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.61 2pos n GLY 40 N 1.14 0.21 3.79 0.00 0.00 -1.26 -4.91 105.19 104.16 2pos n GLY 40 Ca 0.03 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.72 2pos n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pos s TYR 41 N 0.00 3.72 0.20 1.61 1.51 -1.26 -4.95 117.35 118.18 2pos s TYR 41 Ca 0.00 1.58 -0.33 0.00 -1.01 0.00 0.00 57.07 57.32 2pos s TYR 41 Cb 0.00 -2.76 -0.14 0.00 -0.11 0.00 0.00 41.96 38.95 2pos s TYR 41 CO 0.00 0.33 1.45 -2.30 -1.11 0.00 0.00 175.55 173.92 2pos n PRO 42 N 0.86 1.98 -1.10 -1.71 -0.02 -1.26 -4.99 135.00 128.75 2pos n PRO 42 Ca -0.02 0.71 -0.29 0.00 -2.02 0.00 0.00 63.50 61.88 2pos n PRO 42 Cb 0.50 -2.40 0.17 0.00 -0.02 0.00 0.00 33.50 31.75 2pos n PRO 42 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2pos s THR 43 N 0.31 2.35 0.25 3.45 -4.23 -1.26 -4.68 115.64 111.83 2pos s THR 43 Ca 0.73 0.11 -0.04 0.00 -1.18 0.00 0.00 61.69 61.32 2pos s THR 43 Cb -0.69 -2.53 0.22 0.00 1.34 0.00 0.00 72.50 70.83 2pos s THR 43 CO 0.45 -0.15 1.75 -0.65 -0.54 0.00 0.00 174.62 175.48 2pos h PRO 44 N -1.81 0.50 -0.19 3.99 0.11 -1.99 0.26 132.00 132.87 2pos h PRO 44 Ca -0.52 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.50 2pos h PRO 44 Cb 1.31 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2pos h PRO 44 CO 0.55 0.33 -0.08 0.93 -0.21 0.00 0.00 178.00 179.52 2pos h GLU 45 N 0.51 0.39 -0.67 1.05 3.07 -1.98 -1.88 114.58 115.09 2pos h GLU 45 Ca 0.42 -0.16 -0.01 0.00 -0.50 0.00 0.00 59.36 59.10 2pos h GLU 45 Cb 0.60 -0.01 -0.03 0.00 -0.84 0.00 0.00 28.75 28.47 2pos h GLU 45 CO -0.37 0.68 0.38 1.96 -1.40 0.00 0.00 179.01 180.25 2pos h GLN 46 N 0.09 0.92 -0.67 2.33 4.20 -1.68 -2.91 115.11 117.38 2pos h GLN 46 Ca 0.04 -0.10 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2pos h GLN 46 Cb 0.55 -0.18 -0.03 0.00 0.30 0.00 0.00 27.48 28.11 2pos h GLN 46 CO 0.03 0.68 0.40 1.25 -0.67 0.00 0.00 178.83 180.52 2pos h LEU 47 N 0.91 0.81 -0.50 1.46 5.85 -0.35 0.35 115.31 123.84 2pos h LEU 47 Ca 0.24 -0.07 0.06 0.00 0.84 0.00 0.00 57.88 58.95 2pos h LEU 47 Cb 0.02 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.79 2pos h LEU 47 CO -0.04 0.64 0.22 0.50 -0.34 0.00 0.00 178.44 179.42 2pos h LYS 48 N 0.92 0.41 -0.44 1.25 3.64 -1.22 0.29 116.57 121.42 2pos h LYS 48 Ca 0.24 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.56 2pos h LYS 48 Cb -0.02 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2pos h LYS 48 CO -0.04 0.27 0.14 -0.07 -2.27 0.00 0.00 179.45 177.48 2pos h LEU 49 N 0.42 0.63 -0.93 5.20 3.38 -1.25 -2.97 115.31 119.79 2pos h LEU 49 Ca 0.23 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pos h LEU 49 Cb 0.20 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 40.74 2pos h LEU 49 CO -0.20 0.66 0.59 0.24 0.09 0.00 0.00 178.44 179.82 2pos h MET 50 N 0.56 1.25 0.00 1.13 2.86 -0.43 -2.10 114.93 118.20 2pos h MET 50 Ca 0.14 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2pos h MET 50 Cb 0.25 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 31.64 2pos h MET 50 CO -0.01 0.85 0.00 0.00 1.06 0.00 0.00 176.91 178.82 2pos n GLY 52 N -0.12 1.70 3.13 0.00 0.00 -0.81 -4.90 105.19 104.20 2pos n GLY 52 Ca 0.02 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2pos n GLY 52 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2pos s THR 53 N -1.38 2.65 0.30 2.61 2.01 -0.49 -4.99 115.64 116.34 2pos s THR 53 Ca 0.36 -1.46 0.06 0.00 0.31 0.00 0.00 61.69 60.96 2pos s THR 53 Cb 0.21 -2.52 0.30 0.00 0.01 0.00 0.00 72.50 70.50 2pos s THR 53 CO 0.29 -0.05 1.77 0.00 -0.69 0.00 0.00 174.62 175.94 2pos h ALA 54 N 7.91 1.67 0.00 7.40 0.00 -1.91 -0.24 119.26 134.09 2pos h ALA 54 Ca -0.21 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.76 2pos h ALA 54 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2pos h ALA 54 CO 0.51 -0.07 -0.14 0.93 0.00 0.00 0.00 179.25 180.48 2pos h GLU 55 N 0.74 0.00 -0.22 0.00 3.07 -1.92 -2.23 114.58 114.02 2pos h GLU 55 Ca 0.58 0.00 -0.16 0.00 -0.50 0.00 0.00 59.36 59.28 2pos h GLU 55 Cb 0.92 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 2pos h GLU 55 CO -0.39 0.14 -0.53 0.00 -1.40 0.00 0.00 179.01 176.82 2pos h PHE 57 N 0.49 1.03 -0.38 0.00 -1.00 -1.41 0.45 116.94 116.12 2pos h PHE 57 Ca 0.01 -0.10 0.01 0.00 2.81 0.00 0.00 57.97 60.71 2pos h PHE 57 Cb 1.08 -0.30 -0.02 0.00 3.61 0.00 0.00 35.95 40.32 2pos h PHE 57 CO 0.05 0.83 0.24 1.15 -1.61 0.00 0.00 178.31 178.97 2pos h THR 58 N 0.93 1.08 -0.14 -1.55 2.02 -1.25 -1.07 112.91 112.93 2pos h THR 58 Ca 0.21 -0.17 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 2pos h THR 58 Cb 0.27 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.22 2pos h THR 58 CO -0.01 0.09 0.07 0.25 0.37 0.00 0.00 175.52 176.29 2pos h LEU 59 N 0.49 0.18 -0.85 2.58 5.85 -0.58 -0.69 115.31 122.30 2pos h LEU 59 Ca 0.14 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.75 2pos h LEU 59 Cb -0.04 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2pos h LEU 59 CO -0.04 0.26 0.56 0.40 -0.34 0.00 0.00 178.44 179.28 2pos h ILE 60 N 0.09 1.20 -0.60 4.05 1.08 -0.81 -0.52 117.51 122.00 2pos h ILE 60 Ca 0.05 -0.39 -0.04 0.00 -0.39 0.00 0.00 64.86 64.09 2pos h ILE 60 Cb 0.13 -0.03 -0.03 0.00 -3.07 0.00 0.00 36.82 33.81 2pos h ILE 60 CO -0.01 0.21 0.21 0.44 -0.69 0.00 0.00 178.15 178.31 2pos h ASP 61 N 1.13 0.83 -0.72 1.72 3.32 -1.00 -0.49 116.42 121.21 2pos h ASP 61 Ca 0.32 -0.13 -0.06 0.00 0.02 0.00 0.00 57.03 57.18 2pos h ASP 61 Cb -0.09 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.21 2pos h ASP 61 CO -0.08 0.77 0.21 0.00 -1.72 0.00 0.00 179.24 178.42 2pos h ALA 62 N 1.35 0.94 -0.47 3.45 0.00 -0.09 -1.63 119.26 122.81 2pos h ALA 62 Ca 0.20 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2pos h ALA 62 Cb 0.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 2pos h ALA 62 CO -0.01 0.63 -0.01 0.82 0.00 0.00 0.00 179.25 180.68 2pos h ILE 63 N 1.06 1.26 -0.95 0.00 2.04 -0.77 -2.84 117.51 117.32 2pos h ILE 63 Ca 0.23 -1.07 0.09 0.00 1.00 0.00 0.00 64.86 65.11 2pos h ILE 63 Cb 0.32 1.02 -0.07 0.00 -0.74 0.00 0.00 36.82 37.34 2pos h ILE 63 CO -0.01 0.37 0.59 0.50 0.00 0.00 0.00 178.15 179.61 2pos h LYS 64 N 0.69 0.98 0.00 2.37 3.64 -0.82 -1.65 116.57 121.78 2pos h LYS 64 Ca 0.13 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2pos h LYS 64 Cb 0.52 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.12 2pos h LYS 64 CO 0.03 0.65 -0.01 0.00 -2.27 0.00 0.00 179.45 177.84 2pos h ALA 65 N 1.48 1.01 0.00 5.00 0.00 -1.06 -1.96 119.26 123.73 2pos h ALA 65 Ca 0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2pos h ALA 65 Cb 0.33 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2pos h ALA 65 CO -0.22 0.02 0.00 1.28 0.00 0.00 0.00 179.25 180.32 2pos n LEU 66 N -3.12 0.00 -3.01 0.00 4.77 -0.62 -4.95 117.00 110.07 2pos n LEU 66 Ca 0.00 0.44 -0.13 0.00 -0.03 0.00 0.00 56.01 56.28 2pos n LEU 66 Cb 0.28 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.00 2pos n LEU 66 CO 0.27 -0.10 0.05 -3.20 -1.33 0.00 0.00 177.39 173.08 2pos n ASN 67 N -1.44 -4.29 -4.76 -1.43 4.05 -0.74 -4.95 115.26 101.70 2pos n ASN 67 Ca 0.07 -0.57 -0.39 0.00 0.45 0.00 0.00 54.58 54.14 2pos n ASN 67 Cb 0.24 -4.46 0.03 0.00 1.23 0.00 0.00 39.78 36.82 2pos n ASN 67 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2pos s PRO 68 N -4.59 3.44 0.69 1.20 0.04 -1.26 -4.98 135.00 129.55 2pos s PRO 68 Ca 0.22 2.30 -0.11 0.00 0.04 0.00 0.00 61.00 63.46 2pos s PRO 68 Cb -0.03 -2.46 0.01 0.00 0.04 0.00 0.00 34.50 32.06 2pos s PRO 68 CO 0.62 -0.98 1.06 -0.80 0.04 0.00 0.00 177.00 176.94 2pos s ASN 69 N -0.75 5.38 -1.08 6.66 0.01 -1.26 -4.62 114.94 119.28 2pos s ASN 69 Ca 0.66 1.61 -0.18 0.00 -0.71 0.00 0.00 52.86 54.24 2pos s ASN 69 Cb -0.42 -2.49 0.12 0.00 0.41 0.00 0.00 41.25 38.87 2pos s ASN 69 CO 0.51 -1.44 1.38 -0.62 -1.51 0.00 0.00 177.10 175.42 2pos s ASP 70 N -3.80 6.76 0.20 -1.22 -1.08 -1.26 -3.88 116.67 112.39 2pos s ASP 70 Ca 0.58 -2.25 -0.23 0.00 -0.52 0.00 0.00 52.55 50.13 2pos s ASP 70 Cb -0.14 -2.46 0.05 0.00 -1.46 0.00 0.00 42.92 38.91 2pos s ASP 70 CO 0.55 -1.08 0.78 0.00 0.52 0.00 0.00 175.17 175.94 2pos s ILE 72 N -3.64 5.15 -0.32 0.00 -1.09 0.16 -4.08 121.20 117.40 2pos s ILE 72 Ca 0.09 0.67 -0.29 0.00 -2.23 0.00 0.00 60.65 58.89 2pos s ILE 72 Cb -0.03 -3.73 0.02 0.00 -1.58 0.00 0.00 42.46 37.13 2pos s ILE 72 CO 0.01 0.16 1.06 -0.22 -1.23 0.00 0.00 174.94 174.72 2pos s LEU 73 N 1.97 3.94 -0.36 2.97 2.96 0.93 -0.62 118.68 130.48 2pos s LEU 73 Ca 0.17 1.04 -0.16 0.00 -0.22 0.00 0.00 54.13 54.96 2pos s LEU 73 Cb -0.16 -3.52 -0.00 0.00 0.50 0.00 0.00 46.19 43.01 2pos s LEU 73 CO 0.09 -0.87 0.37 -0.69 -1.32 0.00 0.00 176.35 173.94 2pos s VAL 74 N 3.61 5.16 -0.38 1.68 1.01 -1.26 -1.65 120.40 128.57 2pos s VAL 74 Ca 0.45 -0.08 0.02 0.00 0.00 0.00 0.00 61.98 62.37 2pos s VAL 74 Cb -0.12 -3.87 0.15 0.00 0.00 0.00 0.00 36.38 32.54 2pos s VAL 74 CO 0.15 -0.17 0.26 0.12 0.00 0.00 0.00 175.10 175.46 2pos s PHE 75 N 2.02 0.99 0.00 5.22 5.36 -0.69 -5.00 117.98 125.87 2pos s PHE 75 Ca 0.11 -1.95 0.00 0.00 -0.96 0.00 0.00 56.93 54.13 2pos s PHE 75 Cb -0.17 -1.01 0.00 0.00 -0.34 0.00 0.00 43.02 41.50 2pos s PHE 75 CO 0.12 -0.82 0.00 0.41 -1.46 0.00 0.00 175.22 173.47 2pos n GLY 76 N 3.55 3.74 0.08 13.12 0.00 -1.26 -1.44 105.19 122.98 2pos n GLY 76 Ca 0.18 -0.03 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2pos n GLY 76 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2pos n ASP 77 N 8.02 0.66 -4.74 1.61 8.00 -1.26 -4.88 116.55 123.97 2pos n ASP 77 Ca 0.00 0.55 -0.41 0.00 0.71 0.00 0.00 54.79 55.64 2pos n ASP 77 Cb 0.00 -0.72 -0.03 0.00 -0.02 0.00 0.00 41.12 40.34 2pos n ASP 77 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2pos s VAL 78 N -3.08 3.55 -0.34 2.53 1.01 -0.52 -5.01 120.40 118.53 2pos s VAL 78 Ca 0.11 1.31 0.00 0.00 0.00 0.00 0.00 61.98 63.40 2pos s VAL 78 Cb 0.14 -3.83 0.11 0.00 0.00 0.00 0.00 36.38 32.79 2pos s VAL 78 CO 0.59 0.21 0.14 -0.13 0.00 0.00 0.00 175.10 175.90 2pos s ARG 79 N -0.27 0.87 -0.16 2.72 1.81 -1.25 -1.70 118.95 120.96 2pos s ARG 79 Ca 0.53 -1.34 0.01 0.00 -1.72 0.00 0.00 55.73 53.20 2pos s ARG 79 Cb -0.33 -2.08 0.02 0.00 -0.45 0.00 0.00 34.95 32.11 2pos s ARG 79 CO 0.37 -1.04 -0.16 -1.17 -0.68 0.00 0.00 175.30 172.62 2pos s LEU 80 N 1.26 1.84 -0.54 2.53 2.96 -0.66 -4.89 118.68 121.19 2pos s LEU 80 Ca 0.12 -0.54 -0.20 0.00 -0.22 0.00 0.00 54.13 53.29 2pos s LEU 80 Cb -0.19 -1.28 0.06 0.00 0.50 0.00 0.00 46.19 45.28 2pos s LEU 80 CO -0.17 -0.03 0.73 0.21 -1.32 0.00 0.00 176.35 175.76 2pos s ASN 81 N 1.39 6.23 0.32 3.68 3.84 -1.26 -0.05 114.94 129.10 2pos s ASN 81 Ca 0.04 -0.89 0.06 0.00 0.21 0.00 0.00 52.86 52.28 2pos s ASN 81 Cb -0.13 -2.33 0.54 0.00 -0.55 0.00 0.00 41.25 38.78 2pos s ASN 81 CO -0.11 -1.04 1.78 0.58 -2.79 0.00 0.00 177.10 175.53 2pos h VAL 82 N 5.91 1.25 -0.36 -5.21 2.07 -1.80 -0.65 116.25 117.45 2pos h VAL 82 Ca -0.28 -1.15 -0.11 0.00 0.82 0.00 0.00 66.70 65.99 2pos h VAL 82 Cb 1.09 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.20 2pos h VAL 82 CO 1.03 0.36 -0.20 0.50 0.02 0.00 0.00 177.57 179.28 2pos h LYS 83 N 0.33 0.77 -0.17 1.57 3.64 -1.82 -1.55 116.57 119.34 2pos h LYS 83 Ca 0.05 -0.35 0.01 0.00 -1.27 0.00 0.00 60.65 59.10 2pos h LYS 83 Cb 0.59 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2pos h LYS 83 CO 0.04 0.97 0.08 -0.22 -2.27 0.00 0.00 179.45 178.05 2pos h LYS 84 N 0.56 0.17 -0.23 1.90 3.64 -1.82 -1.71 116.57 119.09 2pos h LYS 84 Ca 0.08 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.51 2pos h LYS 84 Cb 0.75 -0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 32.46 2pos h LYS 84 CO 0.06 0.12 -0.24 1.25 -2.27 0.00 0.00 179.45 178.36 2pos h LEU 85 N 0.18 -0.77 -0.66 5.20 5.85 -0.91 -0.89 115.31 123.30 2pos h LEU 85 Ca 0.07 0.14 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 2pos h LEU 85 Cb 0.02 0.36 -0.02 0.00 0.37 0.00 0.00 40.66 41.39 2pos h LEU 85 CO -0.05 -0.28 -0.52 -0.37 -0.34 0.00 0.00 178.44 176.88 2pos h VAL 86 N -0.26 1.11 0.09 1.05 -1.51 -1.18 -2.16 116.25 113.39 2pos h VAL 86 Ca 0.13 -1.97 -0.28 0.00 -1.23 0.00 0.00 66.70 63.35 2pos h VAL 86 Cb 0.46 2.15 0.02 0.00 -2.13 0.00 0.00 31.29 31.79 2pos h VAL 86 CO -0.38 0.51 -1.18 0.74 -1.23 0.00 0.00 177.57 176.03 2pos h THR 87 N 0.00 1.32 0.00 7.19 2.02 -1.02 -3.30 112.91 119.11 2pos h THR 87 Ca -0.01 -2.48 0.00 0.00 0.77 0.00 0.00 66.41 64.70 2pos h THR 87 Cb 1.11 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 70.15 2pos h THR 87 CO 0.07 0.75 -0.36 -0.62 0.37 0.00 0.00 175.52 175.73 2pos n GLU 88 N -3.77 0.01 0.35 6.66 1.02 -0.36 -4.46 120.64 120.09 2pos n GLU 88 Ca -0.12 0.01 -0.18 0.00 -0.02 0.00 0.00 57.16 56.84 2pos n GLU 88 Cb 0.96 -1.51 -0.09 0.00 -0.02 0.00 0.00 31.44 30.77 2pos n GLU 88 CO 0.00 0.00 0.00 0.35 1.18 0.00 0.00 177.13 178.66 2pos h PHE 89 N 0.00 -1.17 -0.15 -0.32 3.57 -1.46 -2.31 116.94 115.09 2pos h PHE 89 Ca 0.00 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2pos h PHE 89 Cb 0.51 0.43 -0.02 0.00 2.79 0.00 0.00 35.95 39.66 2pos h PHE 89 CO 0.00 -0.64 0.03 0.93 -2.23 0.00 0.00 178.31 176.40 2pos h GLU 90 N -1.01 0.08 0.00 1.11 5.08 -1.80 -1.50 114.58 116.54 2pos h GLU 90 Ca -0.08 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2pos h GLU 90 Cb 0.84 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2pos h GLU 90 CO 0.04 0.06 -0.07 -1.35 -1.00 0.00 0.00 179.01 176.69 2pos h PRO 91 N 0.09 0.00 0.00 2.33 0.11 -1.84 -2.29 132.00 130.40 2pos h PRO 91 Ca 0.07 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 2pos h PRO 91 Cb 0.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.17 2pos h PRO 91 CO -0.09 0.07 0.00 -1.13 -0.21 0.00 0.00 178.00 176.64 2pos n SER 92 N -4.11 0.66 0.21 -2.05 3.41 -0.57 -2.94 113.62 108.22 2pos n SER 92 Ca -0.03 0.71 0.14 0.00 -0.26 0.00 0.00 58.87 59.43 2pos n SER 92 Cb 0.15 -0.83 0.44 0.00 -0.26 0.00 0.00 64.21 63.71 2pos n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88