#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2o7g h ALA 5 N 0.00 0.84 -0.59 2.41 0.00 -2.05 -2.83 119.26 117.04 2o7g h ALA 5 Ca 0.00 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 54.36 2o7g h ALA 5 Cb 0.00 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2o7g h ALA 5 CO 0.00 0.71 0.29 1.03 0.00 0.00 0.00 179.25 181.28 2o7g h SER 6 N 0.22 0.75 -0.60 0.00 0.87 -2.05 0.12 113.55 112.85 2o7g h SER 6 Ca -0.00 -0.07 -0.08 0.00 -1.23 0.00 0.00 61.79 60.41 2o7g h SER 6 Cb 1.08 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.83 2o7g h SER 6 CO 0.09 0.63 0.09 0.44 -0.53 0.00 0.00 176.83 177.56 2o7g h ASP 7 N 0.83 0.99 -0.79 6.23 3.32 -2.00 -0.91 116.42 124.08 2o7g h ASP 7 Ca 0.21 -0.23 0.03 0.00 0.02 0.00 0.00 57.03 57.06 2o7g h ASP 7 Cb 0.08 -0.26 -0.04 0.00 0.22 0.00 0.00 39.33 39.33 2o7g h ASP 7 CO -0.03 0.99 0.52 0.44 -1.72 0.00 0.00 179.24 179.44 2o7g h ASP 8 N 0.97 0.85 -0.35 6.45 5.19 -1.22 -2.76 116.42 125.54 2o7g h ASP 8 Ca 0.19 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.48 2o7g h ASP 8 Cb 0.43 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 39.73 2o7g h ASP 8 CO 0.01 0.59 -0.19 -0.33 -3.12 0.00 0.00 179.24 176.20 2o7g h GLU 9 N 0.99 0.83 -0.15 3.56 4.39 -0.42 -1.56 114.58 122.22 2o7g h GLU 9 Ca 0.31 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2o7g h GLU 9 Cb 0.01 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 2o7g h GLU 9 CO -0.09 0.95 0.05 0.00 -1.16 0.00 0.00 179.01 178.76 2o7g h ALA 10 N 1.05 0.20 -0.41 3.43 0.00 -1.15 0.44 119.26 122.81 2o7g h ALA 10 Ca 0.11 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.92 2o7g h ALA 10 Cb 0.71 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 2o7g h ALA 10 CO 0.05 -0.18 0.20 0.28 0.00 0.00 0.00 179.25 179.60 2o7g h VAL 11 N 0.06 0.97 -0.72 0.00 2.07 -1.51 0.58 116.25 117.71 2o7g h VAL 11 Ca 0.05 -0.14 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 2o7g h VAL 11 Cb 0.22 0.52 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2o7g h VAL 11 CO -0.00 0.07 0.35 0.74 0.02 0.00 0.00 177.57 178.75 2o7g h THR 12 N 0.41 1.23 -0.67 2.57 2.02 -1.12 -1.39 112.91 115.97 2o7g h THR 12 Ca 0.18 -0.65 -0.03 0.00 0.77 0.00 0.00 66.41 66.67 2o7g h THR 12 Cb 0.09 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 66.81 2o7g h THR 12 CO -0.13 0.27 0.30 0.00 0.37 0.00 0.00 175.52 176.34 2o7g h ALA 13 N 1.17 0.87 -0.80 6.16 0.00 0.24 -1.10 119.26 125.80 2o7g h ALA 13 Ca 0.25 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.10 2o7g h ALA 13 Cb 0.11 -0.26 -0.07 0.00 0.00 0.00 0.00 17.79 17.57 2o7g h ALA 13 CO -0.03 0.45 0.44 -0.07 0.00 0.00 0.00 179.25 180.04 2o7g h LEU 14 N 0.93 0.60 -0.73 0.00 3.38 0.35 -1.24 115.31 118.61 2o7g h LEU 14 Ca 0.23 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.15 2o7g h LEU 14 Cb 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 2o7g h LEU 14 CO -0.02 0.33 -0.11 0.00 0.09 0.00 0.00 178.44 178.73 2o7g h ALA 15 N 1.46 0.93 -0.28 1.53 0.00 -0.60 0.77 119.26 123.07 2o7g h ALA 15 Ca 0.39 -0.33 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2o7g h ALA 15 Cb 0.39 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2o7g h ALA 15 CO -0.26 0.62 -0.39 -0.07 0.00 0.00 0.00 179.25 179.15 2o7g h LEU 16 N 0.77 0.82 -0.41 0.00 3.38 -0.61 0.17 115.31 119.43 2o7g h LEU 16 Ca 0.13 -0.50 -0.11 0.00 0.09 0.00 0.00 57.88 57.48 2o7g h LEU 16 Cb 0.62 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2o7g h LEU 16 CO 0.04 1.17 -0.17 -1.28 0.09 0.00 0.00 178.44 178.29 2o7g h SER 17 N 0.51 0.85 -0.26 -0.43 0.87 -1.10 -2.56 113.55 111.43 2o7g h SER 17 Ca 0.03 -0.39 0.01 0.00 -1.23 0.00 0.00 61.79 60.21 2o7g h SER 17 Cb 0.98 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.68 2o7g h SER 17 CO 0.09 1.05 0.14 0.00 -0.53 0.00 0.00 176.83 177.59 2o7g h ALA 18 N 0.83 0.32 -1.04 6.23 0.00 -0.67 -1.28 119.26 123.64 2o7g h ALA 18 Ca 0.09 0.00 0.27 0.00 0.00 0.00 0.00 54.91 55.28 2o7g h ALA 18 Cb 0.72 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.36 2o7g h ALA 18 CO 0.05 -0.25 0.69 0.00 0.00 0.00 0.00 179.25 179.74 2o7g h ALA 19 N 1.12 2.38 -0.11 0.00 0.00 -0.57 0.19 119.26 122.27 2o7g h ALA 19 Ca 0.10 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2o7g h ALA 19 Cb 0.01 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2o7g h ALA 19 CO -0.06 -0.76 0.00 1.63 0.00 0.00 0.00 179.25 180.06 2o7g n LYS 20 N -4.54 1.44 -0.38 0.00 5.02 -0.53 -4.56 118.16 114.61 2o7g n LYS 20 Ca 0.25 -0.47 0.00 0.00 -2.02 0.00 0.00 58.31 56.07 2o7g n LYS 20 Cb 0.92 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.59 2o7g n LYS 20 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2o7g n GLY 21 N 0.42 0.81 3.56 0.72 0.00 0.05 -5.04 105.19 105.71 2o7g n GLY 21 Ca 0.04 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.63 2o7g n GLY 21 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2o7g s ASN 22 N -2.01 6.44 0.32 1.61 3.84 -0.89 -4.93 114.94 119.32 2o7g s ASN 22 Ca 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 52.86 53.07 2o7g s ASN 22 Cb 0.00 -2.48 0.55 0.00 -0.55 0.00 0.00 41.25 38.77 2o7g s ASN 22 CO 0.00 -1.25 1.86 1.23 -2.79 0.00 0.00 177.10 176.15 2o7g h GLY 23 N 11.13 0.63 2.00 1.21 0.00 -1.89 -1.95 103.07 114.20 2o7g h GLY 23 Ca -0.25 -0.37 -0.11 0.00 0.00 0.00 0.00 47.33 46.59 2o7g h GLY 23 CO 1.10 0.35 -0.53 3.21 0.00 0.00 0.00 176.54 180.67 2o7g h ARG 24 N 0.56 0.00 -0.06 4.80 3.08 -1.98 1.00 114.38 121.78 2o7g h ARG 24 Ca 0.12 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2o7g h ARG 24 Cb 0.34 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 2o7g h ARG 24 CO 0.01 0.53 -0.01 0.00 -1.07 0.00 0.00 179.97 179.43 2o7g h ALA 25 N 1.47 0.08 -0.40 0.04 0.00 -1.84 -1.54 119.26 117.06 2o7g h ALA 25 Ca -0.01 -0.19 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2o7g h ALA 25 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2o7g h ALA 25 CO 0.07 -0.23 0.23 1.25 0.00 0.00 0.00 179.25 180.57 2o7g h LEU 26 N -0.22 0.37 0.05 0.00 6.46 -0.92 0.16 115.31 121.21 2o7g h LEU 26 Ca 0.01 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2o7g h LEU 26 Cb 0.38 -0.07 -0.01 0.00 -0.73 0.00 0.00 40.66 40.23 2o7g h LEU 26 CO 0.00 0.27 -0.07 -0.08 -0.62 0.00 0.00 178.44 177.94 2o7g h GLU 27 N 0.47 -0.14 -0.65 1.25 4.81 -0.80 -1.85 114.58 117.66 2o7g h GLU 27 Ca 0.16 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.42 2o7g h GLU 27 Cb 0.01 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.39 2o7g h GLU 27 CO -0.08 -0.10 0.42 0.00 -0.73 0.00 0.00 179.01 178.52 2o7g h ALA 28 N 0.80 0.85 -0.75 2.92 0.00 -0.84 -1.24 119.26 120.99 2o7g h ALA 28 Ca 0.01 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2o7g h ALA 28 Cb 0.16 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 2o7g h ALA 28 CO -0.04 0.19 0.41 0.35 0.00 0.00 0.00 179.25 180.16 2o7g h PHE 29 N 0.83 0.74 -0.27 0.00 3.57 -0.43 0.30 116.94 121.67 2o7g h PHE 29 Ca 0.26 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.73 2o7g h PHE 29 Cb -0.02 -0.22 -0.01 0.00 2.79 0.00 0.00 35.95 38.49 2o7g h PHE 29 CO -0.04 0.30 -0.03 0.82 -2.23 0.00 0.00 178.31 177.13 2o7g h ILE 30 N 0.70 1.27 -0.57 1.41 2.04 -0.56 -1.20 117.51 120.60 2o7g h ILE 30 Ca 0.36 -1.00 0.08 0.00 1.00 0.00 0.00 64.86 65.30 2o7g h ILE 30 Cb 0.33 1.38 -0.07 0.00 -0.74 0.00 0.00 36.82 37.72 2o7g h ILE 30 CO -0.24 0.32 0.22 0.11 0.00 0.00 0.00 178.15 178.55 2o7g h LYS 31 N 0.27 0.40 0.00 2.37 1.57 -0.86 -0.50 116.57 119.81 2o7g h LYS 31 Ca 0.07 -0.02 -0.06 0.00 -1.87 0.00 0.00 60.65 58.77 2o7g h LYS 31 Cb 0.48 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 2o7g h LYS 31 CO 0.02 0.26 -0.28 0.00 -0.57 0.00 0.00 179.45 178.88 2o7g h ALA 32 N 1.38 1.15 -0.00 3.86 0.00 -0.06 -3.25 119.26 122.34 2o7g h ALA 32 Ca 0.28 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2o7g h ALA 32 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2o7g h ALA 32 CO -0.27 0.35 -0.31 0.25 0.00 0.00 0.00 179.25 179.27 2o7g n THR 33 N -3.65 0.00 -0.35 0.00 -2.24 -0.48 -4.70 114.28 102.85 2o7g n THR 33 Ca -0.01 -0.35 0.11 0.00 -2.27 0.00 0.00 64.05 61.53 2o7g n THR 33 Cb 0.40 1.03 0.29 0.00 -2.10 0.00 0.00 70.33 69.95 2o7g n THR 33 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 2o7g h GLN 34 N 0.31 0.82 -0.08 -0.78 4.15 -1.12 -1.55 115.11 116.86 2o7g h GLN 34 Ca 0.00 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.34 2o7g h GLN 34 Cb 0.22 -0.19 -0.00 0.00 0.21 0.00 0.00 27.48 27.72 2o7g h GLN 34 CO 0.00 0.54 -0.06 0.37 -1.93 0.00 0.00 178.83 177.75 2o7g h GLN 35 N 0.85 0.18 -0.90 1.69 5.75 -1.84 -0.59 115.11 120.25 2o7g h GLN 35 Ca 0.55 -0.09 0.10 0.00 -0.15 0.00 0.00 58.65 59.06 2o7g h GLN 35 Cb 0.74 -0.00 -0.08 0.00 1.07 0.00 0.00 27.48 29.21 2o7g h GLN 35 CO -0.34 0.59 0.54 -0.44 -2.65 0.00 0.00 178.83 176.53 2o7g h ASP 36 N -0.23 0.78 -0.29 -0.69 3.32 -1.73 -0.73 116.42 116.86 2o7g h ASP 36 Ca 0.01 0.05 -0.06 0.00 0.02 0.00 0.00 57.03 57.05 2o7g h ASP 36 Cb 0.55 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.98 2o7g h ASP 36 CO 0.02 0.43 -0.05 0.58 -1.72 0.00 0.00 179.24 178.50 2o7g h VAL 37 N 0.88 1.28 0.42 -1.35 2.07 -1.09 -2.43 116.25 116.03 2o7g h VAL 37 Ca 0.44 -1.06 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 2o7g h VAL 37 Cb 0.40 1.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2o7g h VAL 37 CO -0.25 0.34 -0.20 -0.25 0.02 0.00 0.00 177.57 177.22 2o7g h TRP 38 N 0.31 -0.53 -0.57 1.57 7.01 -0.86 -0.17 115.95 122.72 2o7g h TRP 38 Ca 0.07 -0.01 0.10 0.00 2.11 0.00 0.00 58.89 61.16 2o7g h TRP 38 Cb 0.52 0.17 -0.08 0.00 -2.10 0.00 0.00 29.16 27.68 2o7g h TRP 38 CO 0.05 -0.30 0.13 0.00 -2.79 0.00 0.00 178.44 175.53 2o7g h ARG 39 N -0.61 0.26 -0.15 2.65 3.08 -1.15 0.64 114.38 119.10 2o7g h ARG 39 Ca -0.06 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.01 2o7g h ARG 39 Cb 0.46 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2o7g h ARG 39 CO 0.10 0.17 -0.06 0.35 -1.07 0.00 0.00 179.97 179.46 2o7g h PHE 40 N 0.27 -0.15 -0.29 3.04 3.57 -1.28 -3.03 116.94 119.08 2o7g h PHE 40 Ca 0.29 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.69 2o7g h PHE 40 Cb 0.41 0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 2o7g h PHE 40 CO -0.23 -0.10 -0.29 0.28 -2.23 0.00 0.00 178.31 175.74 2o7g h VAL 41 N -0.04 1.28 0.00 1.41 2.07 -0.56 -0.41 116.25 119.99 2o7g h VAL 41 Ca 0.08 -1.39 0.00 0.00 0.82 0.00 0.00 66.70 66.21 2o7g h VAL 41 Cb 0.16 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.30 2o7g h VAL 41 CO -0.18 0.45 0.03 0.00 0.02 0.00 0.00 177.57 177.89 2o7g n ALA 42 N -2.50 1.01 0.00 1.67 0.00 0.18 -1.23 120.51 119.64 2o7g n ALA 42 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2o7g n ALA 42 Cb 0.45 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.98 2o7g n ALA 42 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2o7g n TYR 43 N -1.35 0.00 -0.09 0.00 4.19 -0.92 -2.55 117.16 116.43 2o7g n TYR 43 Ca 0.00 0.00 0.10 0.00 3.31 0.00 0.00 57.90 61.31 2o7g n TYR 43 Cb 0.03 0.00 0.46 0.00 0.49 0.00 0.00 39.34 40.33 2o7g n TYR 43 CO 0.00 0.00 0.00 -0.07 0.91 0.00 0.00 176.86 177.70 2o7g h LEU 44 N 0.00 0.43 0.00 2.98 4.07 -1.05 -3.44 115.31 118.31 2o7g h LEU 44 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2o7g h LEU 44 Cb 0.27 -0.09 0.00 0.00 1.08 0.00 0.00 40.66 41.92 2o7g h LEU 44 CO 0.00 0.27 0.00 -1.54 -1.08 0.00 0.00 178.44 176.09 2o7g n SER 45 N -4.48 0.00 -3.65 -0.43 3.41 -0.36 -5.10 113.62 103.01 2o7g n SER 45 Ca 0.09 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.59 2o7g n SER 45 Cb 0.31 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.20 2o7g n SER 45 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 2o7g s ASP 46 N 0.91 -0.24 0.36 4.04 1.47 -1.06 -4.95 116.67 117.20 2o7g s ASP 46 Ca 0.00 -0.21 0.17 0.00 1.18 0.00 0.00 52.55 53.69 2o7g s ASP 46 Cb 0.00 0.45 1.15 0.00 -0.34 0.00 0.00 42.92 44.18 2o7g s ASP 46 CO 0.00 -0.78 1.66 0.58 0.68 0.00 0.00 175.17 177.31 2o7g h VAL 47 N 2.60 0.28 -0.33 2.11 2.07 -1.89 -1.97 116.25 119.12 2o7g h VAL 47 Ca -0.33 -0.10 -0.08 0.00 0.82 0.00 0.00 66.70 67.01 2o7g h VAL 47 Cb 1.24 -0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2o7g h VAL 47 CO 0.46 0.05 -0.14 1.23 0.02 0.00 0.00 177.57 179.19 2o7g h GLY 48 N 0.28 0.63 -1.46 2.17 0.00 -1.95 -3.05 103.07 99.70 2o7g h GLY 48 Ca 0.74 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 47.60 2o7g h GLY 48 CO -0.57 0.43 -0.11 -1.14 0.00 0.00 0.00 176.54 175.16 2o7g n SER 49 N -4.17 2.52 -0.32 0.19 3.41 -0.78 -4.56 113.62 109.90 2o7g n SER 49 Ca 0.01 -1.79 -0.04 0.00 -0.26 0.00 0.00 58.87 56.78 2o7g n SER 49 Cb 0.35 0.10 0.08 0.00 -0.26 0.00 0.00 64.21 64.49 2o7g n SER 49 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o7g h ALA 50 N 4.46 1.12 0.24 7.33 0.00 -1.33 -1.86 119.26 129.21 2o7g h ALA 50 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2o7g h ALA 50 Cb 0.86 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2o7g h ALA 50 CO 0.00 0.66 -0.22 -0.44 0.00 0.00 0.00 179.25 179.25 2o7g h ASP 51 N 1.23 -0.59 -0.37 0.00 3.32 -1.80 0.30 116.42 118.50 2o7g h ASP 51 Ca 0.30 0.05 0.07 0.00 0.02 0.00 0.00 57.03 57.47 2o7g h ASP 51 Cb 0.09 0.20 -0.06 0.00 0.22 0.00 0.00 39.33 39.78 2o7g h ASP 51 CO -0.04 -0.33 0.01 0.44 -1.72 0.00 0.00 179.24 177.60 2o7g h ASP 52 N -0.49 -0.13 0.05 6.45 3.32 -1.83 -1.74 116.42 122.05 2o7g h ASP 52 Ca -0.01 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2o7g h ASP 52 Cb 0.45 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.13 2o7g h ASP 52 CO -0.04 -0.03 -0.52 -0.07 -1.72 0.00 0.00 179.24 176.86 2o7g h LEU 53 N 0.11 0.57 -0.25 1.55 4.07 -1.16 -2.99 115.31 117.21 2o7g h LEU 53 Ca 0.18 -0.29 0.01 0.00 0.08 0.00 0.00 57.88 57.86 2o7g h LEU 53 Cb 0.25 -0.16 -0.02 0.00 1.08 0.00 0.00 40.66 41.81 2o7g h LEU 53 CO -0.29 0.98 0.15 0.74 -1.08 0.00 0.00 178.44 178.94 2o7g h THR 54 N 0.40 1.04 -1.06 0.22 2.02 -0.15 -0.35 112.91 115.03 2o7g h THR 54 Ca 0.01 -0.11 0.30 0.00 0.77 0.00 0.00 66.41 67.38 2o7g h THR 54 Cb 1.04 0.70 -0.12 0.00 -1.74 0.00 0.00 68.15 68.03 2o7g h THR 54 CO 0.10 0.06 0.65 1.56 0.37 0.00 0.00 175.52 178.26 2o7g h GLN 55 N 0.32 0.37 0.00 6.66 4.20 -1.18 -1.94 115.11 123.55 2o7g h GLN 55 Ca 0.10 -0.02 -0.36 0.00 0.06 0.00 0.00 58.65 58.42 2o7g h GLN 55 Cb -0.01 -0.08 -0.06 0.00 0.30 0.00 0.00 27.48 27.62 2o7g h GLN 55 CO -0.04 0.25 -2.29 -1.91 -0.67 0.00 0.00 178.83 174.16 2o7g n GLU 56 N -4.80 0.53 -0.24 1.46 4.07 -0.90 -0.50 120.64 120.26 2o7g n GLU 56 Ca 0.29 0.17 -0.00 0.00 -0.06 0.00 0.00 57.16 57.56 2o7g n GLU 56 Cb 0.95 -1.40 0.07 0.00 -0.06 0.00 0.00 31.44 30.99 2o7g n GLU 56 CO 0.00 0.00 0.00 1.15 -0.06 0.00 0.00 177.13 178.22 2o7g h THR 57 N -0.39 0.27 -0.42 6.31 2.02 -1.01 -0.85 112.91 118.84 2o7g h THR 57 Ca -0.55 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 66.52 2o7g h THR 57 Cb 1.66 0.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 2o7g h THR 57 CO -0.21 0.00 -0.19 -0.26 0.37 0.00 0.00 175.52 175.23 2o7g h PHE 58 N -0.03 0.92 0.22 3.16 -1.00 -1.06 0.56 116.94 119.71 2o7g h PHE 58 Ca 0.32 -0.20 0.01 0.00 2.81 0.00 0.00 57.97 60.91 2o7g h PHE 58 Cb 0.53 -0.22 -0.03 0.00 3.61 0.00 0.00 35.95 39.84 2o7g h PHE 58 CO -0.58 0.94 -0.30 -0.07 -1.61 0.00 0.00 178.31 176.68 2o7g h LEU 59 N 0.71 -0.85 -1.00 1.54 4.07 -0.15 0.36 115.31 119.99 2o7g h LEU 59 Ca 0.10 0.09 0.05 0.00 0.08 0.00 0.00 57.88 58.20 2o7g h LEU 59 Cb 0.71 0.30 -0.06 0.00 1.08 0.00 0.00 40.66 42.69 2o7g h LEU 59 CO 0.05 -0.41 0.65 0.03 -1.08 0.00 0.00 178.44 177.68 2o7g h ARG 60 N -0.58 1.20 -0.30 1.13 2.47 -1.07 -0.98 114.38 116.25 2o7g h ARG 60 Ca 0.01 -0.07 0.04 0.00 -1.26 0.00 0.00 59.98 58.70 2o7g h ARG 60 Cb 0.57 -0.27 -0.04 0.00 -1.65 0.00 0.00 29.97 28.58 2o7g h ARG 60 CO -0.12 0.79 0.07 0.00 0.56 0.00 0.00 179.97 181.27 2o7g h ALA 61 N 1.42 0.32 -0.63 0.04 0.00 0.81 -1.02 119.26 120.21 2o7g h ALA 61 Ca 0.41 0.05 0.06 0.00 0.00 0.00 0.00 54.91 55.43 2o7g h ALA 61 Cb 0.06 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 2o7g h ALA 61 CO -0.14 -0.34 0.34 0.82 0.00 0.00 0.00 179.25 179.92 2o7g h ILE 62 N 0.18 0.96 0.00 0.00 2.04 0.93 -0.30 117.51 121.32 2o7g h ILE 62 Ca 0.14 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.74 2o7g h ILE 62 Cb 0.14 0.27 -0.01 0.00 -0.74 0.00 0.00 36.82 36.49 2o7g h ILE 62 CO -0.18 0.12 -0.19 1.23 0.00 0.00 0.00 178.15 179.13 2o7g h GLY 63 N 0.63 0.00 0.00 5.37 0.00 -0.81 -3.19 103.07 105.07 2o7g h GLY 63 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2o7g h GLY 63 CO -0.18 0.00 -1.44 0.00 0.00 0.00 0.00 176.54 174.93 2o7g n ALA 64 N -2.29 3.84 0.29 3.60 0.00 -0.42 -4.64 120.51 120.89 2o7g n ALA 64 Ca -0.01 -0.55 0.17 0.00 0.00 0.00 0.00 53.44 53.04 2o7g n ALA 64 Cb 0.32 -0.75 0.89 0.00 0.00 0.00 0.00 19.45 19.92 2o7g n ALA 64 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2o7g h ILE 65 N 0.00 0.28 0.00 0.00 2.10 -1.09 0.94 117.51 119.74 2o7g h ILE 65 Ca 0.00 -0.31 0.00 0.00 1.08 0.00 0.00 64.86 65.63 2o7g h ILE 65 Cb 0.71 1.24 0.00 0.00 -1.09 0.00 0.00 36.82 37.68 2o7g h ILE 65 CO 0.00 0.05 0.00 -0.65 -1.08 0.00 0.00 178.15 176.47 2o7g h PRO 66 N 0.00 0.00 -0.53 2.19 0.11 -1.80 -1.83 132.00 130.13 2o7g h PRO 66 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2o7g h PRO 66 Cb 0.23 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.34 2o7g h PRO 66 CO 0.01 0.00 0.00 0.54 -0.21 0.00 0.00 178.00 178.34 2o7g n ARG 67 N -2.97 4.08 -2.97 1.05 1.74 0.32 -4.88 116.66 113.04 2o7g n ARG 67 Ca -0.00 -2.97 -0.40 0.00 -0.77 0.00 0.00 57.85 53.70 2o7g n ARG 67 Cb 0.24 -2.03 -0.04 0.00 -1.02 0.00 0.00 32.46 29.61 2o7g n ARG 67 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2o7g s PHE 68 N -2.39 3.64 0.00 -1.55 5.36 -0.69 -4.91 117.98 117.43 2o7g s PHE 68 Ca 0.50 1.40 0.00 0.00 -0.96 0.00 0.00 56.93 57.86 2o7g s PHE 68 Cb 0.36 -2.87 0.00 0.00 -0.34 0.00 0.00 43.02 40.17 2o7g s PHE 68 CO 0.18 0.12 0.50 -1.13 -1.46 0.00 0.00 175.22 173.43 2o7g n SER 69 N 3.54 0.73 -0.25 6.13 3.41 -1.26 -4.89 113.62 121.02 2o7g n SER 69 Ca -0.00 -1.25 -0.02 0.00 -0.26 0.00 0.00 58.87 57.33 2o7g n SER 69 Cb 0.51 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2o7g n SER 69 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2o7g n ALA 70 N -0.13 -0.06 0.33 7.33 0.00 -1.26 -4.91 120.51 121.81 2o7g n ALA 70 Ca 0.00 0.02 0.21 0.00 0.00 0.00 0.00 53.44 53.67 2o7g n ALA 70 Cb 0.26 -0.68 1.13 0.00 0.00 0.00 0.00 19.45 20.16 2o7g n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2o7g h ARG 71 N 0.00 0.00 -4.45 0.00 3.08 -1.97 -3.43 114.38 107.61 2o7g h ARG 71 Ca -0.05 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.67 2o7g h ARG 71 Cb 0.99 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.93 2o7g h ARG 71 CO 0.06 0.00 -0.36 -1.54 -1.07 0.00 0.00 179.97 177.07 2o7g s SER 72 N -5.35 1.01 0.64 7.04 1.04 -1.26 -5.14 113.70 111.69 2o7g s SER 72 Ca -0.04 -1.54 -0.16 0.00 0.48 0.00 0.00 55.95 54.69 2o7g s SER 72 Cb 0.13 0.58 -0.01 0.00 0.10 0.00 0.00 66.02 66.82 2o7g s SER 72 CO 0.44 -1.13 1.14 -0.94 0.98 0.00 0.00 173.24 173.73 2o7g s SER 73 N -3.26 5.08 0.28 7.02 1.04 -1.26 -4.88 113.70 117.72 2o7g s SER 73 Ca 0.35 2.13 -0.01 0.00 0.48 0.00 0.00 55.95 58.89 2o7g s SER 73 Cb 0.02 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 64.02 2o7g s SER 73 CO 0.21 -1.65 1.90 0.00 0.98 0.00 0.00 173.24 174.68 2o7g h ALA 74 N 0.28 1.44 -0.83 5.32 0.00 -1.87 -1.57 119.26 122.02 2o7g h ALA 74 Ca -0.48 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.45 2o7g h ALA 74 Cb 1.26 -0.30 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 2o7g h ALA 74 CO 0.54 0.42 0.53 -0.09 0.00 0.00 0.00 179.25 180.65 2o7g h ARG 75 N 1.13 0.96 -0.03 0.00 2.43 -1.91 0.19 114.38 117.15 2o7g h ARG 75 Ca 0.41 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.51 2o7g h ARG 75 Cb 0.15 -0.22 -0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2o7g h ARG 75 CO -0.15 0.64 -0.02 1.15 -1.51 0.00 0.00 179.97 180.07 2o7g h THR 76 N 0.99 1.37 -0.74 0.20 2.02 -1.77 -1.13 112.91 113.86 2o7g h THR 76 Ca 0.35 -1.13 0.17 0.00 0.77 0.00 0.00 66.41 66.56 2o7g h THR 76 Cb 0.09 2.07 -0.12 0.00 -1.74 0.00 0.00 68.15 68.45 2o7g h THR 76 CO -0.14 0.30 0.07 -0.25 0.37 0.00 0.00 175.52 175.87 2o7g h TRP 77 N -0.39 0.08 -0.19 3.16 7.01 -1.18 0.23 115.95 124.67 2o7g h TRP 77 Ca 0.00 0.05 -0.12 0.00 2.11 0.00 0.00 58.89 60.93 2o7g h TRP 77 Cb 0.50 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.64 2o7g h TRP 77 CO 0.09 -0.18 -0.35 1.25 -2.79 0.00 0.00 178.44 176.45 2o7g h LEU 78 N 0.16 0.64 -1.30 0.65 5.85 -0.54 -1.96 115.31 118.81 2o7g h LEU 78 Ca 0.41 -0.54 -0.07 0.00 0.84 0.00 0.00 57.88 58.52 2o7g h LEU 78 Cb 0.72 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2o7g h LEU 78 CO -0.60 1.06 -0.34 -0.07 -0.34 0.00 0.00 178.44 178.15 2o7g h LEU 79 N 0.24 0.00 -0.99 2.25 3.38 -0.86 -1.03 115.31 118.29 2o7g h LEU 79 Ca 0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 2o7g h LEU 79 Cb 0.94 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 2o7g h LEU 79 CO 0.08 0.34 0.37 0.00 0.09 0.00 0.00 178.44 179.32 2o7g h ALA 80 N 1.66 1.21 -0.08 1.53 0.00 -0.25 -0.97 119.26 122.36 2o7g h ALA 80 Ca -0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2o7g h ALA 80 Cb 0.65 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2o7g h ALA 80 CO 0.04 0.60 0.01 0.82 0.00 0.00 0.00 179.25 180.72 2o7g h ILE 81 N 1.08 1.24 -0.93 0.00 2.04 -0.57 -2.91 117.51 117.45 2o7g h ILE 81 Ca 0.26 -0.74 0.22 0.00 1.00 0.00 0.00 64.86 65.60 2o7g h ILE 81 Cb 0.10 1.57 -0.12 0.00 -0.74 0.00 0.00 36.82 37.64 2o7g h ILE 81 CO -0.03 0.21 0.49 0.00 0.00 0.00 0.00 178.15 178.81 2o7g h ALA 82 N 0.75 1.55 -0.41 1.87 0.00 -0.79 -1.04 119.26 121.20 2o7g h ALA 82 Ca 0.02 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.10 2o7g h ALA 82 Cb 0.32 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.13 2o7g h ALA 82 CO 0.00 -0.26 0.18 0.00 0.00 0.00 0.00 179.25 179.18 2o7g h ARG 83 N 0.52 0.36 -0.95 0.00 3.08 -1.01 -1.23 114.38 115.16 2o7g h ARG 83 Ca 0.58 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.61 2o7g h ARG 83 Cb 1.04 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 30.97 2o7g h ARG 83 CO -0.47 0.24 0.62 0.45 -1.07 0.00 0.00 179.97 179.73 2o7g h HIS 84 N 0.37 1.20 -0.00 3.04 3.86 -1.05 0.23 115.15 122.80 2o7g h HIS 84 Ca 0.18 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.41 2o7g h HIS 84 Cb 0.12 -0.41 -0.00 0.00 1.06 0.00 0.00 27.41 28.18 2o7g h HIS 84 CO -0.12 0.77 0.00 0.28 0.86 0.00 0.00 177.93 179.72 2o7g h VAL 85 N 1.29 1.18 -0.66 2.45 2.07 -0.75 0.68 116.25 122.51 2o7g h VAL 85 Ca 0.35 -0.51 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 2o7g h VAL 85 Cb -0.13 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2o7g h VAL 85 CO -0.07 0.13 0.41 0.58 0.02 0.00 0.00 177.57 178.64 2o7g h VAL 86 N -0.21 1.18 0.12 2.57 2.07 -1.06 -1.65 116.25 119.28 2o7g h VAL 86 Ca 0.00 -0.38 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2o7g h VAL 86 Cb 0.22 0.25 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 2o7g h VAL 86 CO -0.00 0.19 -0.43 0.00 0.02 0.00 0.00 177.57 177.34 2o7g h ALA 87 N 1.22 -0.78 -0.81 1.67 0.00 0.11 -1.76 119.26 118.92 2o7g h ALA 87 Ca 0.24 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.24 2o7g h ALA 87 Cb -0.05 0.73 -0.11 0.00 0.00 0.00 0.00 17.79 18.36 2o7g h ALA 87 CO -0.05 -1.01 0.32 -0.44 0.00 0.00 0.00 179.25 178.07 2o7g h ASP 88 N -0.67 0.26 0.13 0.00 3.32 -0.80 -1.25 116.42 117.41 2o7g h ASP 88 Ca 0.02 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2o7g h ASP 88 Cb 0.69 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 40.36 2o7g h ASP 88 CO -0.25 0.05 -0.04 -0.74 -1.72 0.00 0.00 179.24 176.55 2o7g h HIS 89 N 0.41 0.00 -0.46 4.55 -0.00 -0.45 -1.02 115.15 118.18 2o7g h HIS 89 Ca 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.83 2o7g h HIS 89 Cb 0.78 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.19 2o7g h HIS 89 CO -0.17 0.04 0.00 0.44 -0.00 0.00 0.00 177.93 178.24 2o7g n ILE 90 N -3.72 1.77 1.20 6.26 -5.35 -0.49 -5.09 119.36 113.94 2o7g n ILE 90 Ca -0.03 -1.35 0.13 0.00 -0.27 0.00 0.00 62.75 61.24 2o7g n ILE 90 Cb 0.13 0.11 0.27 0.00 -1.74 0.00 0.00 39.64 38.41 2o7g n ILE 90 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68