#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bcc s ARG 11 N 0.00 1.81 -0.21 -1.46 1.81 -1.26 -5.10 118.95 114.54 2bcc s ARG 11 Ca 0.00 -2.47 -0.32 0.00 -1.72 0.00 0.00 55.73 51.23 2bcc s ARG 11 Cb 0.00 -3.11 -0.14 0.00 -0.45 0.00 0.00 34.95 31.25 2bcc s ARG 11 CO 0.00 -1.11 1.00 0.91 -0.68 0.00 0.00 175.30 175.42 2bcc n TRP 12 N 3.25 0.94 0.20 -0.53 5.03 -1.26 -4.81 117.44 120.27 2bcc n TRP 12 Ca 0.06 0.81 0.04 0.00 3.03 0.00 0.00 57.50 61.43 2bcc n TRP 12 Cb 0.33 -1.57 0.43 0.00 -1.03 0.00 0.00 31.31 29.46 2bcc n TRP 12 CO 0.00 0.00 0.00 -0.07 -0.03 0.00 0.00 177.69 177.59 2bcc h LEU 13 N 3.03 0.01 -0.10 -0.99 4.07 -1.99 0.13 115.31 119.47 2bcc h LEU 13 Ca -0.34 -0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.65 2bcc h LEU 13 Cb 1.01 -0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.71 2bcc h LEU 13 CO 0.61 0.28 -0.12 -0.08 -1.08 0.00 0.00 178.44 178.06 2bcc h GLU 14 N 0.01 -0.15 -0.59 1.13 4.57 -2.00 0.68 114.58 118.24 2bcc h GLU 14 Ca -0.00 0.01 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2bcc h GLU 14 Cb 0.49 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 29.07 2bcc h GLU 14 CO 0.04 -0.10 0.36 0.78 -1.18 0.00 0.00 179.01 178.91 2bcc h GLY 15 N -0.15 0.84 0.86 1.92 0.00 -1.35 -2.71 103.07 102.48 2bcc h GLY 15 Ca 0.08 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2bcc h GLY 15 CO -0.19 0.22 -0.40 -2.22 0.00 0.00 0.00 176.54 173.95 2bcc h ILE 16 N 0.71 0.18 -0.91 2.60 2.04 0.14 -2.67 117.51 119.59 2bcc h ILE 16 Ca 0.24 0.00 0.24 0.00 1.00 0.00 0.00 64.86 66.34 2bcc h ILE 16 Cb 0.03 0.18 -0.13 0.00 -0.74 0.00 0.00 36.82 36.16 2bcc h ILE 16 CO -0.10 0.00 0.38 0.03 0.00 0.00 0.00 178.15 178.45 2bcc h ARG 17 N -1.01 0.32 -0.13 2.37 3.08 0.58 0.88 114.38 120.46 2bcc h ARG 17 Ca -0.09 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.86 2bcc h ARG 17 Cb 0.81 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.78 2bcc h ARG 17 CO 0.10 0.21 -0.30 0.87 -1.07 0.00 0.00 179.97 179.77 2bcc h LYS 18 N 0.33 0.25 0.00 0.04 1.57 -1.41 0.58 116.57 117.93 2bcc h LYS 18 Ca 0.59 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 59.28 2bcc h LYS 18 Cb 1.20 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2bcc h LYS 18 CO -0.59 0.54 0.00 1.87 -0.57 0.00 0.00 179.45 180.70 2bcc n TRP 19 N -4.12 0.00 -0.33 -1.35 -0.00 0.30 -2.37 117.44 109.57 2bcc n TRP 19 Ca -0.01 0.00 0.09 0.00 -0.00 0.00 0.00 57.50 57.58 2bcc n TRP 19 Cb 0.40 -0.20 0.20 0.00 -0.00 0.00 0.00 31.31 31.71 2bcc n TRP 19 CO 0.00 0.00 0.00 -0.92 -0.00 0.00 0.00 177.69 176.77 2bcc h TYR 20 N 0.00 -0.26 -0.97 5.87 3.20 -1.25 0.30 116.97 123.86 2bcc h TYR 20 Ca 0.00 0.08 0.17 0.00 3.14 0.00 0.00 58.73 62.11 2bcc h TYR 20 Cb 0.00 0.27 -0.10 0.00 1.54 0.00 0.00 36.73 38.44 2bcc h TYR 20 CO 0.07 -0.40 0.57 -0.92 -1.64 0.00 0.00 178.16 175.84 2bcc h TYR 21 N 0.01 1.02 0.00 -3.82 5.03 -0.86 0.95 116.97 119.30 2bcc h TYR 21 Ca 0.52 0.03 -0.02 0.00 2.58 0.00 0.00 58.73 61.84 2bcc h TYR 21 Cb 0.93 -0.30 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 2bcc h TYR 21 CO -0.60 0.26 -0.84 -0.91 -1.32 0.00 0.00 178.16 174.75 2bcc h ASN 22 N 0.77 0.00 0.02 -2.11 2.35 -0.14 -3.19 115.58 113.29 2bcc h ASN 22 Ca 0.54 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.29 2bcc h ASN 22 Cb 0.77 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.14 2bcc h ASN 22 CO -0.36 0.08 -0.01 0.00 -1.65 0.00 0.00 177.43 175.49 2bcc h ALA 23 N 1.92 -0.03 -0.52 -0.83 0.00 0.11 -3.18 119.26 116.74 2bcc h ALA 23 Ca -0.02 -0.29 0.11 0.00 0.00 0.00 0.00 54.91 54.71 2bcc h ALA 23 Cb 1.07 0.01 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 2bcc h ALA 23 CO 0.01 -0.22 -0.04 0.00 0.00 0.00 0.00 179.25 179.00 2bcc h ALA 24 N 0.33 0.45 -0.04 0.00 0.00 0.72 -3.46 119.26 117.26 2bcc h ALA 24 Ca -0.00 0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2bcc h ALA 24 Cb 0.59 0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2bcc h ALA 24 CO 0.00 -0.41 -0.01 0.41 0.00 0.00 0.00 179.25 179.24 2bcc n GLY 25 N -1.34 0.48 0.04 0.00 0.00 -1.20 -4.89 105.19 98.28 2bcc n GLY 25 Ca 0.06 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.84 2bcc n GLY 25 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2bcc n PHE 26 N -2.91 0.27 0.46 1.61 1.16 -1.26 -1.71 117.46 115.09 2bcc n PHE 26 Ca -0.01 0.10 0.13 0.00 -1.87 0.00 0.00 57.45 55.80 2bcc n PHE 26 Cb 0.06 -0.65 0.39 0.00 -1.61 0.00 0.00 39.48 37.67 2bcc n PHE 26 CO 0.00 0.00 0.00 -2.95 -1.87 0.00 0.00 176.76 171.94 2bcc h ASN 27 N 0.00 0.00 1.50 5.98 -1.07 -1.85 -2.90 115.58 117.24 2bcc h ASN 27 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2bcc h ASN 27 Cb 0.41 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.66 2bcc h ASN 27 CO 0.00 0.00 0.00 0.11 0.07 0.00 0.00 177.43 177.61 2bcc h LYS 28 N 0.00 0.00 -0.00 4.14 1.57 -1.66 -1.58 116.57 119.04 2bcc h LYS 28 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2bcc h LYS 28 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2bcc h LYS 28 CO 0.00 0.00 -0.33 0.66 -0.57 0.00 0.00 179.45 179.21 2bcc n TYR 29 N -3.04 0.00 -1.00 -1.35 4.01 -1.10 -1.92 117.16 112.75 2bcc n TYR 29 Ca 0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.76 2bcc n TYR 29 Cb 0.41 -0.24 0.00 0.00 -0.31 0.00 0.00 39.34 39.20 2bcc n TYR 29 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bcc n GLY 30 N 1.43 0.78 3.34 2.72 0.00 -0.60 -4.43 105.19 108.43 2bcc n GLY 30 Ca 0.08 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 45.20 2bcc n GLY 30 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2bcc s LEU 31 N 0.00 2.31 1.02 0.99 2.34 -1.19 -4.88 118.68 119.27 2bcc s LEU 31 Ca 0.00 -0.72 -0.13 0.00 0.06 0.00 0.00 54.13 53.34 2bcc s LEU 31 Cb 0.00 -1.07 0.20 0.00 -0.56 0.00 0.00 46.19 44.76 2bcc s LEU 31 CO 0.00 0.13 1.10 -0.04 -1.06 0.00 0.00 176.35 176.48 2bcc s MET 32 N -1.97 0.25 0.08 1.48 -1.94 -1.26 -4.07 119.30 111.86 2bcc s MET 32 Ca 0.10 0.37 -0.36 0.00 -1.71 0.00 0.00 55.69 54.09 2bcc s MET 32 Cb -0.10 -1.73 -0.18 0.00 2.01 0.00 0.00 34.83 34.83 2bcc s MET 32 CO 0.05 -2.82 1.57 -0.09 -0.01 0.00 0.00 175.02 173.73 2bcc h ARG 33 N -1.95 -1.06 0.00 2.03 2.43 -1.95 -2.31 114.38 111.57 2bcc h ARG 33 Ca -0.53 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 58.71 2bcc h ARG 33 Cb 1.33 0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.12 2bcc h ARG 33 CO 0.55 -0.71 0.26 -0.44 -1.51 0.00 0.00 179.97 178.13 2bcc h ASP 34 N -1.10 0.00 0.99 -3.80 5.19 -1.93 0.22 116.42 115.99 2bcc h ASP 34 Ca -0.09 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.31 2bcc h ASP 34 Cb 0.91 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.42 2bcc h ASP 34 CO 0.04 0.00 -0.05 0.44 -3.12 0.00 0.00 179.24 176.54 2bcc h ASP 35 N 0.00 0.00 0.11 6.45 3.32 -1.77 -3.20 116.42 121.34 2bcc h ASP 35 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2bcc h ASP 35 Cb 0.53 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.08 2bcc h ASP 35 CO 0.00 0.05 -1.20 0.35 -1.72 0.00 0.00 179.24 176.72 2bcc n THR 36 N -3.18 0.03 -1.66 0.35 -2.24 0.79 -4.95 114.28 103.43 2bcc n THR 36 Ca 0.00 -0.16 -0.46 0.00 -2.27 0.00 0.00 64.05 61.16 2bcc n THR 36 Cb 0.33 0.58 -0.04 0.00 -2.10 0.00 0.00 70.33 69.11 2bcc n THR 36 CO 0.00 0.00 0.00 -0.38 -0.57 0.00 0.00 175.07 174.12 2bcc n ILE 37 N -1.76 0.37 -1.75 2.28 5.41 -1.21 -4.84 119.36 117.86 2bcc n ILE 37 Ca 0.02 -0.09 -0.39 0.00 1.00 0.00 0.00 62.75 63.28 2bcc n ILE 37 Cb 0.41 -1.39 0.03 0.00 -0.71 0.00 0.00 39.64 37.97 2bcc n ILE 37 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2bcc n TYR 38 N 2.69 2.51 -2.73 1.39 9.36 -1.26 -4.88 117.16 124.25 2bcc n TYR 38 Ca 0.15 0.44 -0.43 0.00 3.32 0.00 0.00 57.90 61.38 2bcc n TYR 38 Cb 0.28 -2.42 0.00 0.00 -0.63 0.00 0.00 39.34 36.58 2bcc n TYR 38 CO 0.00 0.00 0.00 0.39 0.22 0.00 0.00 176.86 177.47 2bcc n GLU 39 N -0.49 3.31 -2.52 2.98 1.02 -1.26 -4.84 120.64 118.84 2bcc n GLU 39 Ca 0.07 -3.58 -0.24 0.00 -0.02 0.00 0.00 57.16 53.40 2bcc n GLU 39 Cb 0.42 -3.21 0.10 0.00 -0.02 0.00 0.00 31.44 28.74 2bcc n GLU 39 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2bcc s ASN 40 N 3.20 4.47 0.25 1.62 2.20 -1.26 -4.72 114.94 120.70 2bcc s ASN 40 Ca 0.47 -0.18 -0.03 0.00 -0.94 0.00 0.00 52.86 52.17 2bcc s ASN 40 Cb 0.01 -0.29 0.50 0.00 -2.00 0.00 0.00 41.25 39.47 2bcc s ASN 40 CO 0.03 -1.77 1.32 0.47 -2.94 0.00 0.00 177.10 174.20 2bcc n ASP 41 N -2.82 -0.22 -0.12 3.54 9.92 -1.26 -1.02 116.55 124.58 2bcc n ASP 41 Ca 0.13 1.44 -0.10 0.00 -0.53 0.00 0.00 54.79 55.73 2bcc n ASP 41 Cb 0.60 -0.47 -0.02 0.00 -0.64 0.00 0.00 41.12 40.59 2bcc n ASP 41 CO 0.00 0.00 0.00 0.44 0.13 0.00 0.00 177.20 177.77 2bcc h ASP 42 N 0.00 0.56 -0.43 -2.24 3.32 -1.98 -1.90 116.42 113.76 2bcc h ASP 42 Ca 0.45 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 57.22 2bcc h ASP 42 Cb 0.80 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 2bcc h ASP 42 CO -0.84 0.69 0.24 0.58 -1.72 0.00 0.00 179.24 178.19 2bcc h VAL 43 N 0.41 1.16 -0.27 -1.35 2.07 -1.40 0.28 116.25 117.15 2bcc h VAL 43 Ca 0.10 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.25 2bcc h VAL 43 Cb 0.37 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 2bcc h VAL 43 CO 0.01 0.16 0.09 0.11 0.02 0.00 0.00 177.57 177.96 2bcc h LYS 44 N 0.56 0.20 -0.02 1.57 1.57 -1.16 0.46 116.57 119.76 2bcc h LYS 44 Ca 0.15 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.86 2bcc h LYS 44 Cb 0.05 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 2bcc h LYS 44 CO -0.02 0.13 -0.26 1.49 -0.57 0.00 0.00 179.45 180.22 2bcc h GLU 45 N 0.21 0.03 0.30 3.15 4.57 -1.03 -1.19 114.58 120.61 2bcc h GLU 45 Ca 0.12 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 2bcc h GLU 45 Cb 0.09 -0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.68 2bcc h GLU 45 CO -0.13 0.29 -0.14 0.00 -1.18 0.00 0.00 179.01 177.85 2bcc h ALA 46 N 1.71 -0.44 -1.25 2.92 0.00 0.28 -3.07 119.26 119.40 2bcc h ALA 46 Ca 0.00 -0.09 0.36 0.00 0.00 0.00 0.00 54.91 55.19 2bcc h ALA 46 Cb 0.48 0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.37 2bcc h ALA 46 CO 0.03 -0.41 0.92 0.82 0.00 0.00 0.00 179.25 180.61 2bcc h ILE 47 N -0.97 0.35 0.00 0.00 2.04 -0.09 1.07 117.51 119.90 2bcc h ILE 47 Ca -0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.77 2bcc h ILE 47 Cb 0.31 0.36 -0.01 0.00 -0.74 0.00 0.00 36.82 36.73 2bcc h ILE 47 CO 0.07 0.00 -0.25 -0.09 0.00 0.00 0.00 178.15 177.87 2bcc h ARG 48 N 0.00 0.00 0.00 2.37 2.43 -1.15 -2.52 114.38 115.50 2bcc h ARG 48 Ca 0.60 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.77 2bcc h ARG 48 Cb 2.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.98 2bcc h ARG 48 CO -0.01 0.25 -0.61 0.00 -1.51 0.00 0.00 179.97 178.09 2bcc h ARG 49 N 0.00 0.00 -6.32 0.20 3.08 0.13 -3.47 114.38 108.00 2bcc h ARG 49 Ca -0.00 0.00 -0.65 0.00 0.07 0.00 0.00 59.98 59.40 2bcc h ARG 49 Cb 0.66 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.75 2bcc h ARG 49 CO 0.03 0.00 0.78 -0.11 -1.07 0.00 0.00 179.97 179.61 2bcc n LEU 50 N -2.16 2.62 -4.62 3.04 7.94 -0.95 -4.91 117.00 117.95 2bcc n LEU 50 Ca 0.03 1.07 -0.42 0.00 -1.11 0.00 0.00 56.01 55.58 2bcc n LEU 50 Cb 0.45 -1.29 0.01 0.00 0.53 0.00 0.00 43.42 43.11 2bcc n LEU 50 CO 0.36 -0.48 0.63 -2.65 -1.11 0.00 0.00 177.39 174.14 2bcc n PRO 51 N 4.23 1.45 0.03 1.96 -0.02 -1.26 -4.66 135.00 136.72 2bcc n PRO 51 Ca 0.20 0.52 0.22 0.00 -2.02 0.00 0.00 63.50 62.42 2bcc n PRO 51 Cb 0.23 -2.07 0.73 0.00 -0.02 0.00 0.00 33.50 32.37 2bcc n PRO 51 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2bcc h GLU 52 N 1.68 0.00 0.00 -0.52 4.81 -1.99 -2.38 114.58 116.19 2bcc h GLU 52 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2bcc h GLU 52 Cb 1.33 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.71 2bcc h GLU 52 CO 0.58 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.95 2bcc n ASN 53 N -3.86 0.00 -0.43 1.04 3.02 -1.26 -2.53 115.26 111.23 2bcc n ASN 53 Ca 0.10 0.56 0.37 0.00 -0.03 0.00 0.00 54.58 55.57 2bcc n ASN 53 Cb 0.69 -0.06 0.69 0.00 -0.61 0.00 0.00 39.78 40.49 2bcc n ASN 53 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2bcc h LEU 54 N 0.00 0.16 0.72 3.41 3.38 -1.87 -1.53 115.31 119.59 2bcc h LEU 54 Ca 0.00 0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2bcc h LEU 54 Cb 0.00 0.04 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2bcc h LEU 54 CO 0.00 -0.04 -0.34 0.22 0.09 0.00 0.00 178.44 178.37 2bcc h TYR 55 N 0.11 -0.89 -0.65 1.13 3.20 -1.40 -1.53 116.97 116.94 2bcc h TYR 55 Ca 0.72 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.69 2bcc h TYR 55 Cb 2.50 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 41.03 2bcc h TYR 55 CO -0.00 -0.53 0.44 -0.44 -1.64 0.00 0.00 178.16 175.98 2bcc h ASP 56 N -1.17 0.34 0.53 -2.11 3.32 -1.00 1.00 116.42 117.33 2bcc h ASP 56 Ca -0.10 0.01 -0.03 0.00 0.02 0.00 0.00 57.03 56.94 2bcc h ASP 56 Cb 0.76 -0.06 0.01 0.00 0.22 0.00 0.00 39.33 40.26 2bcc h ASP 56 CO 0.16 0.20 -0.25 0.44 -1.72 0.00 0.00 179.24 178.06 2bcc h ASP 57 N 0.38 -0.60 -1.19 6.45 3.32 -1.33 -2.34 116.42 121.11 2bcc h ASP 57 Ca 0.31 0.02 0.35 0.00 0.02 0.00 0.00 57.03 57.73 2bcc h ASP 57 Cb 0.69 0.16 -0.11 0.00 0.22 0.00 0.00 39.33 40.29 2bcc h ASP 57 CO -0.09 -0.35 0.77 -0.09 -1.72 0.00 0.00 179.24 177.77 2bcc h ARG 58 N -0.87 0.21 0.23 3.56 2.43 -0.61 0.21 114.38 119.54 2bcc h ARG 58 Ca -0.07 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 2bcc h ARG 58 Cb 0.54 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2bcc h ARG 58 CO 0.12 0.14 -0.11 1.98 -1.51 0.00 0.00 179.97 180.59 2bcc h MET 59 N 0.22 -0.29 -0.75 0.20 4.05 -0.69 -1.10 114.93 116.56 2bcc h MET 59 Ca 0.71 0.02 0.13 0.00 -0.28 0.00 0.00 59.70 60.28 2bcc h MET 59 Cb 2.08 0.07 -0.14 0.00 -0.80 0.00 0.00 31.60 32.81 2bcc h MET 59 CO -0.34 -0.20 -0.31 0.35 0.23 0.00 0.00 176.91 176.65 2bcc h PHE 60 N -0.33 -0.81 -0.67 1.39 3.57 -0.46 0.24 116.94 119.88 2bcc h PHE 60 Ca -0.03 0.08 0.13 0.00 3.53 0.00 0.00 57.97 61.68 2bcc h PHE 60 Cb 0.23 0.47 -0.13 0.00 2.79 0.00 0.00 35.95 39.31 2bcc h PHE 60 CO 0.16 -0.38 -0.21 0.00 -2.23 0.00 0.00 178.31 175.65 2bcc h ARG 61 N -0.07 -0.04 0.13 1.11 3.08 -0.60 0.12 114.38 118.11 2bcc h ARG 61 Ca 0.31 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.35 2bcc h ARG 61 Cb 0.57 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.63 2bcc h ARG 61 CO -0.80 -0.03 -0.06 0.82 -1.07 0.00 0.00 179.97 178.83 2bcc h ILE 62 N -0.04 1.00 -0.79 2.04 2.04 0.68 -2.44 117.51 120.00 2bcc h ILE 62 Ca 0.31 -0.59 0.14 0.00 1.00 0.00 0.00 64.86 65.72 2bcc h ILE 62 Cb 0.52 1.37 -0.09 0.00 -0.74 0.00 0.00 36.82 37.88 2bcc h ILE 62 CO -0.71 0.14 0.37 0.50 0.00 0.00 0.00 178.15 178.45 2bcc h LYS 63 N -0.46 0.52 -0.14 2.37 3.64 -0.02 0.41 116.57 122.90 2bcc h LYS 63 Ca -0.02 -0.03 0.04 0.00 -1.27 0.00 0.00 60.65 59.37 2bcc h LYS 63 Cb 0.36 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.02 2bcc h LYS 63 CO 0.03 0.34 -0.16 -0.09 -2.27 0.00 0.00 179.45 177.30 2bcc h ARG 64 N 0.54 -0.19 0.04 1.90 2.43 -0.66 0.35 114.38 118.79 2bcc h ARG 64 Ca 0.43 0.01 0.03 0.00 -0.81 0.00 0.00 59.98 59.64 2bcc h ARG 64 Cb 0.62 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.18 2bcc h ARG 64 CO -0.37 -0.13 -0.24 0.00 -1.51 0.00 0.00 179.97 177.72 2bcc h ALA 65 N 0.86 -0.36 -0.53 2.80 0.00 -0.71 0.20 119.26 121.52 2bcc h ALA 65 Ca 0.10 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.10 2bcc h ALA 65 Cb 0.34 0.41 -0.10 0.00 0.00 0.00 0.00 17.79 18.44 2bcc h ALA 65 CO -0.25 -0.76 -0.10 -0.07 0.00 0.00 0.00 179.25 178.07 2bcc h LEU 66 N -0.40 -0.43 -1.27 0.00 3.38 -0.41 0.37 115.31 116.54 2bcc h LEU 66 Ca 0.05 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.18 2bcc h LEU 66 Cb 0.46 0.30 -0.04 0.00 0.09 0.00 0.00 40.66 41.48 2bcc h LEU 66 CO -0.19 -0.15 0.49 -0.78 0.09 0.00 0.00 178.44 177.90 2bcc h ASP 67 N 0.03 0.85 0.51 -0.43 1.82 0.02 0.84 116.42 120.06 2bcc h ASP 67 Ca 0.26 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.85 2bcc h ASP 67 Cb 0.40 -0.21 0.01 0.00 0.68 0.00 0.00 39.33 40.20 2bcc h ASP 67 CO -0.52 0.62 -0.25 -0.07 -1.61 0.00 0.00 179.24 177.41 2bcc h LEU 68 N 1.01 -0.58 -1.22 2.28 4.07 0.24 -2.72 115.31 118.39 2bcc h LEU 68 Ca 0.27 -0.06 0.22 0.00 0.08 0.00 0.00 57.88 58.39 2bcc h LEU 68 Cb -0.11 0.15 -0.10 0.00 1.08 0.00 0.00 40.66 41.69 2bcc h LEU 68 CO -0.06 -0.22 0.62 -1.13 -1.08 0.00 0.00 178.44 176.58 2bcc h ASN 69 N -1.00 0.60 0.77 -0.43 -1.24 -0.14 0.79 115.58 114.92 2bcc h ASN 69 Ca -0.07 0.09 0.00 0.00 0.71 0.00 0.00 56.30 57.03 2bcc h ASN 69 Cb 0.61 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.64 2bcc h ASN 69 CO 0.12 0.18 0.00 0.80 -1.29 0.00 0.00 177.43 177.24 2bcc n MET 70 N -4.68 0.10 -0.00 6.67 1.56 0.26 -2.59 117.12 118.43 2bcc n MET 70 Ca 0.23 0.27 0.07 0.00 -0.27 0.00 0.00 57.70 58.01 2bcc n MET 70 Cb 0.71 -1.66 -0.09 0.00 2.15 0.00 0.00 33.22 34.32 2bcc n MET 70 CO 0.00 0.00 0.00 0.54 -0.73 0.00 0.00 175.97 175.78 2bcc n ARG 71 N -1.84 1.70 0.00 2.12 1.74 0.26 -4.97 116.66 115.66 2bcc n ARG 71 Ca 0.04 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.10 2bcc n ARG 71 Cb 0.25 -1.25 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 2bcc n ARG 71 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2bcc n GLN 72 N -1.47 0.00 -1.87 5.56 1.13 -0.24 -4.99 117.38 115.50 2bcc n GLN 72 Ca 0.02 0.00 -0.21 0.00 -1.94 0.00 0.00 57.00 54.87 2bcc n GLN 72 Cb 0.27 -1.06 0.13 0.00 0.11 0.00 0.00 30.24 29.68 2bcc n GLN 72 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 2bcc n GLN 73 N -2.00 -0.48 -0.38 -1.09 1.13 -1.22 -4.96 117.38 108.39 2bcc n GLN 73 Ca 0.00 -1.93 0.00 0.00 -1.94 0.00 0.00 57.00 53.13 2bcc n GLN 73 Cb 0.00 -0.80 0.00 0.00 0.11 0.00 0.00 30.24 29.55 2bcc n GLN 73 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 2bcc n ILE 74 N -3.00 0.00 -3.37 5.09 -5.35 -1.26 -4.31 119.36 107.15 2bcc n ILE 74 Ca 0.13 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.26 2bcc n ILE 74 Cb 0.47 0.00 -0.06 0.00 -1.74 0.00 0.00 39.64 38.31 2bcc n ILE 74 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2bcc s LEU 75 N 0.00 4.37 0.39 7.28 2.96 -0.81 -5.03 118.68 127.85 2bcc s LEU 75 Ca 0.00 1.07 -0.27 0.00 -0.22 0.00 0.00 54.13 54.71 2bcc s LEU 75 Cb 0.00 -3.16 -0.10 0.00 0.50 0.00 0.00 46.19 43.44 2bcc s LEU 75 CO 0.00 0.14 1.39 -2.84 -1.32 0.00 0.00 176.35 173.72 2bcc s PRO 76 N -1.80 4.03 0.30 0.98 0.02 -1.26 -4.80 135.00 132.47 2bcc s PRO 76 Ca 0.35 2.36 0.18 0.00 0.02 0.00 0.00 61.00 63.91 2bcc s PRO 76 Cb -0.16 -2.87 1.08 0.00 0.02 0.00 0.00 34.50 32.58 2bcc s PRO 76 CO 0.19 -0.51 1.25 1.17 -0.33 0.00 0.00 177.00 178.76 2bcc n LYS 77 N 0.30 -0.04 -0.04 5.54 4.81 -1.26 0.16 118.16 127.62 2bcc n LYS 77 Ca 0.02 1.07 -0.10 0.00 -0.87 0.00 0.00 58.31 58.44 2bcc n LYS 77 Cb 0.41 -1.96 -0.03 0.00 0.02 0.00 0.00 35.03 33.47 2bcc n LYS 77 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 2bcc h GLU 78 N 0.00 0.23 0.00 1.64 3.07 -2.03 -3.14 114.58 114.35 2bcc h GLU 78 Ca 0.68 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.52 2bcc h GLU 78 Cb 1.85 -0.05 0.00 0.00 -0.84 0.00 0.00 28.75 29.71 2bcc h GLU 78 CO -0.57 0.15 0.00 1.04 -1.40 0.00 0.00 179.01 178.23 2bcc n GLN 79 N -4.98 0.06 -1.86 2.33 6.02 0.12 -4.84 117.38 114.24 2bcc n GLN 79 Ca -0.03 0.23 -0.41 0.00 -0.01 0.00 0.00 57.00 56.78 2bcc n GLN 79 Cb 0.04 -1.61 -0.01 0.00 1.02 0.00 0.00 30.24 29.69 2bcc n GLN 79 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2bcc s TRP 80 N -3.08 2.70 0.43 1.08 0.51 -1.19 -4.81 118.94 114.58 2bcc s TRP 80 Ca 0.08 1.14 -0.22 0.00 -2.12 0.00 0.00 56.10 54.98 2bcc s TRP 80 Cb 0.12 -3.97 -0.09 0.00 -0.81 0.00 0.00 33.47 28.71 2bcc s TRP 80 CO 0.37 -2.90 1.02 0.95 -0.51 0.00 0.00 176.95 175.89 2bcc s THR 81 N -0.92 3.87 0.14 2.01 -4.23 -1.18 -5.01 115.64 110.32 2bcc s THR 81 Ca 0.54 1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 62.24 2bcc s THR 81 Cb -0.45 -3.60 -0.06 0.00 1.34 0.00 0.00 72.50 69.72 2bcc s THR 81 CO 0.59 -0.13 0.47 -0.54 -0.54 0.00 0.00 174.62 174.47 2bcc s LYS 82 N -2.86 3.82 0.19 3.99 1.02 -1.26 -4.88 119.74 119.76 2bcc s LYS 82 Ca 0.62 0.26 -0.23 0.00 0.02 0.00 0.00 55.97 56.64 2bcc s LYS 82 Cb -0.18 -2.88 0.11 0.00 -0.52 0.00 0.00 37.83 34.36 2bcc s LYS 82 CO 0.22 0.47 1.56 -0.92 -0.92 0.00 0.00 175.35 175.76 2bcc h TYR 83 N 3.31 -1.27 0.00 3.18 3.20 -1.96 0.13 116.97 123.56 2bcc h TYR 83 Ca -0.48 0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2bcc h TYR 83 Cb 1.18 0.67 0.00 0.00 1.54 0.00 0.00 36.73 40.12 2bcc h TYR 83 CO 0.64 -0.40 0.00 1.05 -1.64 0.00 0.00 178.16 177.81 2bcc h GLU 84 N -0.09 0.00 -0.01 1.82 9.09 -2.02 -2.76 114.58 120.62 2bcc h GLU 84 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.66 2bcc h GLU 84 Cb 0.55 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.65 2bcc h GLU 84 CO -0.85 0.00 -0.53 0.39 0.05 0.00 0.00 179.01 178.08 2bcc n GLU 85 N -2.71 0.67 -1.94 1.06 1.02 0.36 -4.92 120.64 114.18 2bcc n GLU 85 Ca 0.01 -0.50 -0.42 0.00 -0.02 0.00 0.00 57.16 56.23 2bcc n GLU 85 Cb 0.23 -1.49 -0.03 0.00 -0.02 0.00 0.00 31.44 30.13 2bcc n GLU 85 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2bcc s ASP 86 N -2.67 6.59 -0.32 1.62 -1.08 -0.68 -4.89 116.67 115.24 2bcc s ASP 86 Ca 0.17 2.60 -0.09 0.00 -0.52 0.00 0.00 52.55 54.71 2bcc s ASP 86 Cb 0.18 -2.59 0.01 0.00 -1.46 0.00 0.00 42.92 39.06 2bcc s ASP 86 CO 0.64 -0.83 0.14 0.68 0.52 0.00 0.00 175.17 176.32 2bcc s VAL 87 N 1.28 4.36 -0.89 1.11 -7.23 -1.26 -4.99 120.40 112.78 2bcc s VAL 87 Ca 0.70 -0.64 -0.11 0.00 -1.81 0.00 0.00 61.98 60.12 2bcc s VAL 87 Cb -0.43 -3.30 -0.08 0.00 0.56 0.00 0.00 36.38 33.13 2bcc s VAL 87 CO 0.31 -0.01 2.06 -0.81 -0.31 0.00 0.00 175.10 176.34 2bcc n PRO 88 N 4.94 1.94 0.27 4.82 -0.04 -1.26 -4.66 135.00 141.01 2bcc n PRO 88 Ca -0.13 -1.63 0.18 0.00 -0.04 0.00 0.00 63.50 61.87 2bcc n PRO 88 Cb 0.48 -2.64 0.96 0.00 -0.04 0.00 0.00 33.50 32.26 2bcc n PRO 88 CO 0.00 0.00 0.00 0.10 -0.04 0.00 0.00 175.50 175.56 2bcc h TYR 89 N 6.82 0.00 0.00 0.54 -0.00 -1.98 -2.93 116.97 119.42 2bcc h TYR 89 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.21 2bcc h TYR 89 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 36.73 37.08 2bcc h TYR 89 CO 1.70 0.00 -1.11 -0.11 -0.00 0.00 0.00 178.16 178.64 2bcc n LEU 90 N -2.77 0.08 -0.09 0.10 7.94 -1.26 -4.76 117.00 116.24 2bcc n LEU 90 Ca -0.02 -0.12 -0.07 0.00 -1.11 0.00 0.00 56.01 54.69 2bcc n LEU 90 Cb 0.07 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.02 2bcc n LEU 90 CO 0.17 0.02 0.72 -0.08 -1.11 0.00 0.00 177.39 177.11 2bcc h GLU 91 N 0.00 -0.15 0.39 1.96 4.81 -1.90 -0.69 114.58 119.00 2bcc h GLU 91 Ca 0.00 0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2bcc h GLU 91 Cb 0.30 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.69 2bcc h GLU 91 CO 0.00 -0.10 -0.45 -1.35 -0.73 0.00 0.00 179.01 176.37 2bcc h PRO 92 N -0.16 -0.84 -0.58 0.92 0.11 -1.86 -0.03 132.00 129.56 2bcc h PRO 92 Ca 0.17 0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.45 2bcc h PRO 92 Cb 0.42 0.19 -0.09 0.00 0.11 0.00 0.00 31.00 31.63 2bcc h PRO 92 CO -0.43 -0.56 0.04 1.88 -0.21 0.00 0.00 178.00 178.72 2bcc h TYR 93 N -0.87 0.03 -0.47 0.65 -1.99 -1.84 -1.13 116.97 111.35 2bcc h TYR 93 Ca -0.04 0.04 0.08 0.00 2.00 0.00 0.00 58.73 60.82 2bcc h TYR 93 Cb 0.79 0.07 -0.07 0.00 2.00 0.00 0.00 36.73 39.52 2bcc h TYR 93 CO -0.27 -0.11 0.07 1.25 -0.00 0.00 0.00 178.16 179.10 2bcc h LEU 94 N 0.16 -0.04 0.27 3.88 5.85 -0.40 -1.24 115.31 123.78 2bcc h LEU 94 Ca 0.30 0.09 -0.01 0.00 0.84 0.00 0.00 57.88 59.10 2bcc h LEU 94 Cb 0.47 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.64 2bcc h LEU 94 CO -0.46 0.01 -0.13 0.11 -0.34 0.00 0.00 178.44 177.63 2bcc h LYS 95 N 0.20 -0.36 -0.45 1.25 1.57 0.24 -0.52 116.57 118.51 2bcc h LYS 95 Ca 0.24 0.02 0.09 0.00 -1.87 0.00 0.00 60.65 59.13 2bcc h LYS 95 Cb 0.32 0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.61 2bcc h LYS 95 CO -0.33 -0.23 -0.24 1.49 -0.57 0.00 0.00 179.45 179.57 2bcc h GLU 96 N -0.37 -0.15 -0.56 3.15 4.57 -1.19 0.39 114.58 120.42 2bcc h GLU 96 Ca -0.04 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.26 2bcc h GLU 96 Cb 0.29 0.03 -0.11 0.00 -0.16 0.00 0.00 28.75 28.80 2bcc h GLU 96 CO 0.06 -0.10 -0.23 0.28 -1.18 0.00 0.00 179.01 177.84 2bcc h VAL 97 N -0.15 0.30 -0.14 0.32 2.07 -0.88 1.06 116.25 118.83 2bcc h VAL 97 Ca 0.21 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.72 2bcc h VAL 97 Cb 0.48 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 2bcc h VAL 97 CO -0.54 0.00 0.07 0.40 0.02 0.00 0.00 177.57 177.52 2bcc h ILE 98 N -0.10 1.12 0.00 4.57 2.04 0.13 -1.24 117.51 124.03 2bcc h ILE 98 Ca 0.25 -0.35 -0.07 0.00 1.00 0.00 0.00 64.86 65.69 2bcc h ILE 98 Cb 0.50 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 2bcc h ILE 98 CO -0.62 0.11 -0.35 0.08 0.00 0.00 0.00 178.15 177.37 2bcc h ARG 99 N 0.11 0.00 -0.49 2.37 0.11 0.17 0.31 114.38 116.96 2bcc h ARG 99 Ca 0.05 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.13 2bcc h ARG 99 Cb 0.11 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.17 2bcc h ARG 99 CO -0.01 0.35 0.31 0.93 0.10 0.00 0.00 179.97 181.65 2bcc h GLU 100 N 0.00 0.66 0.41 0.08 5.08 0.15 -1.52 114.58 119.44 2bcc h GLU 100 Ca -0.00 -0.05 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2bcc h GLU 100 Cb 0.74 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2bcc h GLU 100 CO 0.05 0.46 -0.20 -0.09 -1.00 0.00 0.00 179.01 178.23 2bcc h ARG 101 N 0.66 -0.53 -1.05 2.33 2.43 -0.40 -2.68 114.38 115.15 2bcc h ARG 101 Ca 0.18 0.04 0.27 0.00 -0.81 0.00 0.00 59.98 59.65 2bcc h ARG 101 Cb -0.04 0.12 -0.10 0.00 -0.42 0.00 0.00 29.97 29.53 2bcc h ARG 101 CO -0.04 -0.22 0.67 0.87 -1.51 0.00 0.00 179.97 179.74 2bcc h LYS 102 N -0.96 0.38 0.30 0.20 1.57 -0.40 0.24 116.57 117.90 2bcc h LYS 102 Ca -0.06 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 2bcc h LYS 102 Cb 0.55 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2bcc h LYS 102 CO 0.09 0.25 -0.18 1.49 -0.57 0.00 0.00 179.45 180.54 2bcc h GLU 103 N 0.40 -0.44 0.34 3.15 4.81 -1.17 0.16 114.58 121.83 2bcc h GLU 103 Ca 0.61 0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.86 2bcc h GLU 103 Cb 1.53 0.10 -0.03 0.00 0.63 0.00 0.00 28.75 30.98 2bcc h GLU 103 CO -0.32 -0.30 -0.49 0.00 -0.73 0.00 0.00 179.01 177.18 2bcc h ARG 104 N -0.46 -0.83 -0.87 1.92 3.08 -0.27 -0.11 114.38 116.84 2bcc h ARG 104 Ca -0.03 0.06 0.16 0.00 0.07 0.00 0.00 59.98 60.24 2bcc h ARG 104 Cb 0.38 0.19 -0.16 0.00 0.08 0.00 0.00 29.97 30.46 2bcc h ARG 104 CO 0.04 -0.56 -0.28 0.93 -1.07 0.00 0.00 179.97 179.04 2bcc h GLU 105 N -0.86 -0.02 -0.19 0.04 5.08 -0.86 0.27 114.58 118.03 2bcc h GLU 105 Ca -0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2bcc h GLU 105 Cb 0.79 0.01 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 2bcc h GLU 105 CO -0.14 -0.02 -0.23 0.93 -1.00 0.00 0.00 179.01 178.56 2bcc h GLU 106 N -0.02 -0.25 -1.00 2.33 5.08 0.08 -2.42 114.58 118.37 2bcc h GLU 106 Ca 0.38 0.02 0.06 0.00 -1.00 0.00 0.00 59.36 58.81 2bcc h GLU 106 Cb 0.62 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.86 2bcc h GLU 106 CO -0.90 -0.17 0.65 -1.49 -1.00 0.00 0.00 179.01 176.11 2bcc h TRP 107 N -0.26 1.21 0.00 4.33 4.06 0.13 -2.96 115.95 122.46 2bcc h TRP 107 Ca 0.12 0.03 0.00 0.00 2.06 0.00 0.00 58.89 61.10 2bcc h TRP 107 Cb 0.44 -0.40 0.00 0.00 -1.00 0.00 0.00 29.16 28.20 2bcc h TRP 107 CO -0.36 0.65 0.00 -0.25 -3.56 0.00 0.00 178.44 174.92 2bcc n ASP 108 N -4.48 2.49 0.00 -3.49 9.92 -0.31 -5.11 116.55 115.58 2bcc n ASP 108 Ca 0.15 -1.51 0.00 0.00 -0.53 0.00 0.00 54.79 52.89 2bcc n ASP 108 Cb 0.15 -0.47 0.00 0.00 -0.64 0.00 0.00 41.12 40.16 2bcc n ASP 108 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62