#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2xcb h ALA 26 N 0.00 -0.14 -0.05 -1.18 0.00 -2.02 -2.96 119.26 112.90 2xcb h ALA 26 Ca 0.00 0.07 -0.20 0.00 0.00 0.00 0.00 54.91 54.78 2xcb h ALA 26 Cb 0.00 0.47 0.01 0.00 0.00 0.00 0.00 17.79 18.27 2xcb h ALA 26 CO 0.00 -0.66 -0.73 0.00 0.00 0.00 0.00 179.25 177.85 2xcb h MET 27 N -0.25 0.59 0.00 0.00 -0.00 -2.07 -3.24 114.93 109.96 2xcb h MET 27 Ca 0.12 -0.56 0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2xcb h MET 27 Cb 0.44 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 32.18 2xcb h MET 27 CO -0.35 1.18 0.00 -0.11 -0.00 0.00 0.00 176.91 177.63 2xcb n LEU 28 N -4.07 0.00 -4.76 -0.10 7.94 -1.21 -4.80 117.00 110.00 2xcb n LEU 28 Ca -0.09 0.00 -0.41 0.00 -1.11 0.00 0.00 56.01 54.39 2xcb n LEU 28 Cb 0.73 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 44.67 2xcb n LEU 28 CO 0.50 0.00 1.22 -0.13 -1.11 0.00 0.00 177.39 177.87 2xcb s ARG 29 N -2.00 4.11 0.00 1.96 0.52 -1.12 -4.10 118.95 118.31 2xcb s ARG 29 Ca 0.16 2.59 0.00 0.00 -0.52 0.00 0.00 55.73 57.96 2xcb s ARG 29 Cb 0.07 -3.00 0.00 0.00 0.52 0.00 0.00 34.95 32.54 2xcb s ARG 29 CO 0.12 -0.61 0.00 0.41 0.02 0.00 0.00 175.30 175.24 2xcb n GLY 30 N 1.57 0.70 3.76 -3.53 0.00 -1.26 -5.05 105.19 101.38 2xcb n GLY 30 Ca 0.06 -0.71 -0.34 0.00 0.00 0.00 0.00 46.02 45.02 2xcb n GLY 30 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2xcb s LEU 31 N 0.00 3.49 1.00 0.99 1.43 -1.26 -5.01 118.68 119.32 2xcb s LEU 31 Ca 0.00 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 2xcb s LEU 31 Cb 0.00 -4.57 0.19 0.00 0.03 0.00 0.00 46.19 41.84 2xcb s LEU 31 CO 0.00 -1.65 1.08 -0.94 0.23 0.00 0.00 176.35 175.08 2xcb s SER 32 N -2.17 2.57 0.16 2.29 1.04 -1.26 -4.80 113.70 111.53 2xcb s SER 32 Ca 0.71 1.36 -0.15 0.00 0.48 0.00 0.00 55.95 58.34 2xcb s SER 32 Cb -0.24 -2.04 0.10 0.00 0.10 0.00 0.00 66.02 63.94 2xcb s SER 32 CO 0.38 -3.19 1.73 1.05 0.98 0.00 0.00 173.24 174.18 2xcb h GLU 33 N -1.93 0.20 -0.38 4.02 9.09 -1.99 -2.01 114.58 121.58 2xcb h GLU 33 Ca -0.54 -0.01 -0.11 0.00 0.05 0.00 0.00 59.36 58.75 2xcb h GLU 33 Cb 1.32 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 28.36 2xcb h GLU 33 CO 0.55 0.13 -0.22 -0.44 0.05 0.00 0.00 179.01 179.08 2xcb h ASP 34 N 0.20 0.75 0.05 3.06 3.32 -1.99 -0.76 116.42 121.05 2xcb h ASP 34 Ca 0.19 -0.26 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 2xcb h ASP 34 Cb 0.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.57 2xcb h ASP 34 CO -0.25 0.95 -0.02 0.74 -1.72 0.00 0.00 179.24 178.93 2xcb h THR 35 N 0.65 1.21 -0.70 0.35 2.02 -1.89 -1.74 112.91 112.81 2xcb h THR 35 Ca 0.09 -0.88 0.15 0.00 0.77 0.00 0.00 66.41 66.54 2xcb h THR 35 Cb 0.71 1.79 -0.11 0.00 -1.74 0.00 0.00 68.15 68.81 2xcb h THR 35 CO 0.05 0.22 0.15 -0.07 0.37 0.00 0.00 175.52 176.24 2xcb h LEU 36 N -0.46 -0.03 -0.60 2.58 3.38 -1.28 0.20 115.31 119.10 2xcb h LEU 36 Ca -0.01 0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 2xcb h LEU 36 Cb 0.41 0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2xcb h LEU 36 CO 0.01 -0.04 0.16 -0.08 0.09 0.00 0.00 178.44 178.58 2xcb h GLU 37 N 0.25 0.95 -0.29 1.13 4.57 -1.00 0.14 114.58 120.33 2xcb h GLU 37 Ca 0.39 -0.22 -0.07 0.00 -1.18 0.00 0.00 59.36 58.28 2xcb h GLU 37 Cb 0.65 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.10 2xcb h GLU 37 CO -0.50 0.87 -0.10 1.96 -1.18 0.00 0.00 179.01 180.05 2xcb h GLN 38 N 0.87 0.48 -0.14 1.92 4.20 -0.39 0.23 115.11 122.28 2xcb h GLN 38 Ca 0.19 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.73 2xcb h GLN 38 Cb 0.33 -0.06 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2xcb h GLN 38 CO -0.00 0.59 -0.10 1.25 -0.67 0.00 0.00 178.83 179.90 2xcb h LEU 39 N 0.45 0.32 -0.43 1.46 5.85 0.02 -0.83 115.31 122.16 2xcb h LEU 39 Ca 0.09 -0.45 0.08 0.00 0.84 0.00 0.00 57.88 58.44 2xcb h LEU 39 Cb 0.46 -0.09 -0.08 0.00 0.37 0.00 0.00 40.66 41.32 2xcb h LEU 39 CO 0.03 0.70 -0.07 0.22 -0.34 0.00 0.00 178.44 178.97 2xcb h TYR 40 N -0.06 -0.17 -0.17 1.25 3.20 -0.41 -0.95 116.97 119.66 2xcb h TYR 40 Ca 0.03 0.04 -0.04 0.00 3.14 0.00 0.00 58.73 61.89 2xcb h TYR 40 Cb 0.59 0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.99 2xcb h TYR 40 CO 0.08 -0.16 -0.07 0.00 -1.64 0.00 0.00 178.16 176.36 2xcb h ALA 41 N 1.41 1.56 -0.29 1.82 0.00 -0.28 -1.37 119.26 122.12 2xcb h ALA 41 Ca 0.21 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2xcb h ALA 41 Cb 0.31 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.00 2xcb h ALA 41 CO -0.42 0.32 0.09 1.25 0.00 0.00 0.00 179.25 180.49 2xcb h LEU 42 N 0.25 0.42 -0.45 0.00 6.46 -0.41 -0.07 115.31 121.50 2xcb h LEU 42 Ca 0.06 -0.20 0.09 0.00 -0.12 0.00 0.00 57.88 57.70 2xcb h LEU 42 Cb 0.30 -0.11 -0.08 0.00 -0.73 0.00 0.00 40.66 40.04 2xcb h LEU 42 CO 0.01 0.51 -0.04 1.23 -0.62 0.00 0.00 178.44 179.54 2xcb h GLY 43 N 0.30 0.42 0.97 3.75 0.00 -0.49 -0.57 103.07 107.44 2xcb h GLY 43 Ca 0.09 0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.51 2xcb h GLY 43 CO -0.00 -0.14 0.06 -2.75 0.00 0.00 0.00 176.54 173.70 2xcb h PHE 44 N 0.07 0.12 -0.81 5.60 3.57 -1.21 0.68 116.94 124.96 2xcb h PHE 44 Ca 0.22 -0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.79 2xcb h PHE 44 Cb 0.34 -0.04 -0.06 0.00 2.79 0.00 0.00 35.95 38.98 2xcb h PHE 44 CO -0.33 0.12 0.49 -0.91 -2.23 0.00 0.00 178.31 175.45 2xcb h ASN 45 N 0.09 0.75 0.42 0.41 4.21 -0.66 0.35 115.58 121.15 2xcb h ASN 45 Ca 0.03 0.03 -0.13 0.00 1.21 0.00 0.00 56.30 57.44 2xcb h ASN 45 Cb 0.03 -0.13 -0.01 0.00 -1.12 0.00 0.00 38.32 37.09 2xcb h ASN 45 CO -0.01 0.47 -0.57 1.56 -1.29 0.00 0.00 177.43 177.60 2xcb h GLN 46 N 0.88 0.15 0.42 0.81 1.08 -0.80 -1.68 115.11 115.97 2xcb h GLN 46 Ca 0.36 -0.10 -0.02 0.00 -1.45 0.00 0.00 58.65 57.45 2xcb h GLN 46 Cb 0.21 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2xcb h GLN 46 CO -0.19 0.68 -0.20 -0.92 -0.95 0.00 0.00 178.83 177.25 2xcb h TYR 47 N 0.11 -0.52 -0.40 2.96 3.20 0.11 -1.19 116.97 121.25 2xcb h TYR 47 Ca -0.00 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 61.97 2xcb h TYR 47 Cb 1.04 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.46 2xcb h TYR 47 CO 0.01 -0.20 0.51 1.96 -1.64 0.00 0.00 178.16 178.80 2xcb h GLN 48 N -0.84 0.00 -0.01 1.82 1.08 -0.29 0.45 115.11 117.33 2xcb h GLN 48 Ca -0.06 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.14 2xcb h GLN 48 Cb 0.55 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 2xcb h GLN 48 CO 0.09 0.00 -0.11 0.00 -0.95 0.00 0.00 178.83 177.87 2xcb n ALA 49 N -2.24 2.79 -0.43 3.87 0.00 -0.64 -4.95 120.51 118.91 2xcb n ALA 49 Ca 0.07 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.15 2xcb n ALA 49 Cb 0.67 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.89 2xcb n ALA 49 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2xcb n GLY 50 N 1.24 0.95 3.35 0.00 0.00 0.15 -4.96 105.19 105.91 2xcb n GLY 50 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 2xcb n GLY 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2xcb n LYS 51 N -2.00 3.32 0.08 1.61 4.76 -0.48 -4.79 118.16 120.66 2xcb n LYS 51 Ca 0.00 -3.54 -0.16 0.00 -2.87 0.00 0.00 58.31 51.73 2xcb n LYS 51 Cb 0.00 -3.17 -0.08 0.00 -1.84 0.00 0.00 35.03 29.94 2xcb n LYS 51 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2xcb h TRP 52 N 6.95 0.70 -0.16 2.13 6.55 -1.88 -1.44 115.95 128.81 2xcb h TRP 52 Ca 0.39 -0.42 -0.00 0.00 0.95 0.00 0.00 58.89 59.81 2xcb h TRP 52 Cb 0.81 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 29.04 2xcb h TRP 52 CO 1.24 1.26 0.10 -0.44 -1.05 0.00 0.00 178.44 179.55 2xcb h ASP 53 N 0.22 0.19 0.15 -3.49 3.32 -1.92 -0.07 116.42 114.82 2xcb h ASP 53 Ca -0.12 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 56.88 2xcb h ASP 53 Cb 1.73 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 41.23 2xcb h ASP 53 CO 0.19 0.18 -0.07 0.44 -1.72 0.00 0.00 179.24 178.26 2xcb h ASP 54 N 0.18 -0.17 -0.65 6.45 5.19 -1.95 -2.61 116.42 122.86 2xcb h ASP 54 Ca 0.06 -0.03 0.11 0.00 -0.62 0.00 0.00 57.03 56.55 2xcb h ASP 54 Cb 0.03 0.04 -0.08 0.00 0.18 0.00 0.00 39.33 39.50 2xcb h ASP 54 CO -0.01 -0.09 0.24 0.00 -3.12 0.00 0.00 179.24 176.27 2xcb h ALA 55 N 0.60 0.86 -0.51 3.45 0.00 -1.18 -1.73 119.26 120.75 2xcb h ALA 55 Ca -0.02 0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.08 2xcb h ALA 55 Cb 0.19 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 17.97 2xcb h ALA 55 CO 0.03 -0.20 0.00 0.37 0.00 0.00 0.00 179.25 179.46 2xcb h GLN 56 N 0.42 0.11 -0.56 0.00 4.15 -0.85 0.10 115.11 118.49 2xcb h GLN 56 Ca 0.34 -0.01 -0.11 0.00 0.77 0.00 0.00 58.65 59.65 2xcb h GLN 56 Cb 0.45 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2xcb h GLN 56 CO -0.34 0.08 -0.07 0.87 -1.93 0.00 0.00 178.83 177.44 2xcb h LYS 57 N 0.12 1.02 -0.14 1.69 1.57 -1.07 0.83 116.57 120.60 2xcb h LYS 57 Ca 0.26 -0.35 -0.01 0.00 -1.87 0.00 0.00 60.65 58.67 2xcb h LYS 57 Cb 0.39 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.61 2xcb h LYS 57 CO -0.42 1.04 0.04 0.82 -0.57 0.00 0.00 179.45 180.36 2xcb h ILE 58 N 0.92 1.18 -0.70 1.86 1.08 -0.71 -1.81 117.51 119.33 2xcb h ILE 58 Ca 0.15 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 2xcb h ILE 58 Cb 0.62 1.28 -0.03 0.00 -3.07 0.00 0.00 36.82 35.63 2xcb h ILE 58 CO 0.04 0.16 0.36 -0.26 -0.69 0.00 0.00 178.15 177.77 2xcb h PHE 59 N 0.04 0.98 -0.13 1.37 0.04 -0.53 -1.36 116.94 117.35 2xcb h PHE 59 Ca 0.04 -0.03 0.05 0.00 2.80 0.00 0.00 57.97 60.83 2xcb h PHE 59 Cb 0.22 -0.31 -0.05 0.00 2.20 0.00 0.00 35.95 38.00 2xcb h PHE 59 CO -0.00 0.71 -0.20 1.96 -0.60 0.00 0.00 178.31 180.17 2xcb h GLN 60 N 0.96 -0.25 -0.04 1.51 4.20 -0.74 0.39 115.11 121.15 2xcb h GLN 60 Ca 0.24 0.02 0.03 0.00 0.06 0.00 0.00 58.65 59.00 2xcb h GLN 60 Cb 0.07 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 2xcb h GLN 60 CO -0.04 -0.16 -0.19 0.00 -0.67 0.00 0.00 178.83 177.77 2xcb h ALA 61 N 0.75 -0.20 -0.87 3.87 0.00 -1.08 -1.86 119.26 119.86 2xcb h ALA 61 Ca 0.10 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2xcb h ALA 61 Cb 0.40 0.35 -0.09 0.00 0.00 0.00 0.00 17.79 18.45 2xcb h ALA 61 CO -0.28 -0.67 0.47 -0.07 0.00 0.00 0.00 179.25 178.70 2xcb h LEU 62 N -0.28 0.60 -1.67 0.00 3.38 -0.79 0.13 115.31 116.68 2xcb h LEU 62 Ca 0.07 0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 2xcb h LEU 62 Cb 0.38 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2xcb h LEU 62 CO -0.21 0.28 0.06 0.00 0.09 0.00 0.00 178.44 178.66 2xcb h MET 64 N 0.27 0.37 0.14 0.00 -1.53 -0.44 -3.41 114.93 110.33 2xcb h MET 64 Ca 0.07 -0.63 -0.34 0.00 -3.44 0.00 0.00 59.70 55.36 2xcb h MET 64 Cb 0.09 0.23 -0.01 0.00 -0.55 0.00 0.00 31.60 31.37 2xcb h MET 64 CO -0.00 1.30 -1.79 -0.07 0.14 0.00 0.00 176.91 176.48 2xcb h LEU 65 N 0.10 0.46-10.46 3.39 3.38 -0.70 -3.47 115.31 108.02 2xcb h LEU 65 Ca -0.36 -0.80 -0.43 0.00 0.09 0.00 0.00 57.88 56.38 2xcb h LEU 65 Cb 2.09 -0.15 0.03 0.00 0.09 0.00 0.00 40.66 42.72 2xcb h LEU 65 CO 0.16 1.69 -0.14 -0.62 0.09 0.00 0.00 178.44 179.62 2xcb s ASP 66 N -7.06 5.50 0.67 -0.43 2.15 -0.66 -4.82 116.67 112.03 2xcb s ASP 66 Ca -0.16 -0.15 -0.13 0.00 0.43 0.00 0.00 52.55 52.54 2xcb s ASP 66 Cb 0.06 -0.87 0.00 0.00 -0.30 0.00 0.00 42.92 41.82 2xcb s ASP 66 CO 0.82 -0.92 1.08 -1.00 -0.17 0.00 0.00 175.17 174.98 2xcb s HIS 67 N -2.56 2.83 0.08 -5.34 3.76 -1.26 -4.86 115.29 107.95 2xcb s HIS 67 Ca 0.55 1.51 -0.36 0.00 -0.15 0.00 0.00 55.06 56.61 2xcb s HIS 67 Cb -0.10 -3.03 -0.18 0.00 1.11 0.00 0.00 32.58 30.38 2xcb s HIS 67 CO 0.36 -1.44 1.01 0.98 -0.85 0.00 0.00 174.74 174.81 2xcb n TYR 68 N -2.69 0.66 -3.71 1.40 9.36 -1.26 -4.98 117.16 115.93 2xcb n TYR 68 Ca 0.09 0.92 -0.12 0.00 3.32 0.00 0.00 57.90 62.10 2xcb n TYR 68 Cb 0.53 -2.13 -0.13 0.00 -0.63 0.00 0.00 39.34 36.98 2xcb n TYR 68 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2xcb s ASP 69 N -0.14 -0.21 0.21 2.98 3.68 -1.26 -5.06 116.67 116.87 2xcb s ASP 69 Ca 0.81 0.60 -0.16 0.00 2.13 0.00 0.00 52.55 55.94 2xcb s ASP 69 Cb -1.08 0.52 0.21 0.00 -1.45 0.00 0.00 42.92 41.12 2xcb s ASP 69 CO 0.55 -0.18 1.61 0.00 0.13 0.00 0.00 175.17 177.27 2xcb h ALA 70 N 7.36 0.27 0.00 3.66 0.00 -1.98 -1.81 119.26 126.76 2xcb h ALA 70 Ca -0.36 0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.75 2xcb h ALA 70 Cb 1.15 0.59 -0.00 0.00 0.00 0.00 0.00 17.79 19.53 2xcb h ALA 70 CO 0.32 -0.51 -0.12 0.00 0.00 0.00 0.00 179.25 178.95 2xcb h ARG 71 N -0.06 0.00 -0.00 0.00 3.08 -1.98 -2.24 114.38 113.17 2xcb h ARG 71 Ca 0.29 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.34 2xcb h ARG 71 Cb 0.51 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.56 2xcb h ARG 71 CO -0.68 0.12 -0.00 1.88 -1.07 0.00 0.00 179.97 180.22 2xcb h TYR 72 N 0.00 0.01 -0.24 3.04 0.05 -1.71 0.13 116.97 118.25 2xcb h TYR 72 Ca -0.00 -0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.58 2xcb h TYR 72 Cb 0.34 -0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.09 2xcb h TYR 72 CO 0.00 0.42 -0.63 0.74 -1.05 0.00 0.00 178.16 177.64 2xcb h PHE 73 N -0.40 1.07 -0.40 4.88 0.04 -1.56 0.57 116.94 121.14 2xcb h PHE 73 Ca 0.00 -0.41 -0.00 0.00 2.80 0.00 0.00 57.97 60.36 2xcb h PHE 73 Cb 0.41 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 38.36 2xcb h PHE 73 CO 0.07 1.24 0.25 -0.07 -0.60 0.00 0.00 178.31 179.19 2xcb h LEU 74 N 0.61 0.47 -0.02 1.54 3.38 -1.47 0.13 115.31 119.96 2xcb h LEU 74 Ca -0.01 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.94 2xcb h LEU 74 Cb 1.24 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.85 2xcb h LEU 74 CO 0.13 0.37 -0.07 1.23 0.09 0.00 0.00 178.44 180.20 2xcb h GLY 75 N 0.53 -0.05 0.98 0.83 0.00 -0.52 0.25 103.07 105.07 2xcb h GLY 75 Ca 0.14 0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.54 2xcb h GLY 75 CO -0.03 -0.08 0.26 -2.00 0.00 0.00 0.00 176.54 174.69 2xcb h LEU 76 N -0.11 0.61 -0.46 3.11 5.85 -0.80 -1.29 115.31 122.22 2xcb h LEU 76 Ca 0.04 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2xcb h LEU 76 Cb 0.16 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 2xcb h LEU 76 CO -0.09 0.54 0.17 1.23 -0.34 0.00 0.00 178.44 179.95 2xcb h GLY 77 N 0.64 0.75 0.50 3.75 0.00 -0.66 -1.80 103.07 106.25 2xcb h GLY 77 Ca 0.17 -0.42 0.09 0.00 0.00 0.00 0.00 47.33 47.17 2xcb h GLY 77 CO -0.03 0.40 0.36 0.00 0.00 0.00 0.00 176.54 177.27 2xcb h ALA 78 N 1.01 0.97 -0.70 3.60 0.00 -0.22 -1.91 119.26 122.01 2xcb h ALA 78 Ca 0.15 0.05 0.01 0.00 0.00 0.00 0.00 54.91 55.12 2xcb h ALA 78 Cb 0.23 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2xcb h ALA 78 CO -0.01 -0.03 0.46 0.00 0.00 0.00 0.00 179.25 179.67 2xcb h ARG 80 N 0.95 0.81 0.19 0.00 3.08 -0.88 -1.57 114.38 116.95 2xcb h ARG 80 Ca 0.26 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.95 2xcb h ARG 80 Cb -0.11 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2xcb h ARG 80 CO -0.06 0.98 -0.09 1.96 -1.07 0.00 0.00 179.97 181.69 2xcb h GLN 81 N 0.70 -0.24 -0.35 0.04 4.20 -1.31 -0.00 115.11 118.14 2xcb h GLN 81 Ca 0.09 0.02 0.10 0.00 0.06 0.00 0.00 58.65 58.91 2xcb h GLN 81 Cb 0.79 0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.61 2xcb h GLN 81 CO 0.07 -0.16 0.37 0.77 -0.67 0.00 0.00 178.83 179.20 2xcb h SER 82 N -0.25 0.00 -0.02 1.46 0.02 -1.19 -1.19 113.55 112.37 2xcb h SER 82 Ca -0.02 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2xcb h SER 82 Cb 0.20 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.74 2xcb h SER 82 CO 0.04 0.00 -0.01 0.18 -1.14 0.00 0.00 176.83 175.90 2xcb n LEU 83 N -3.77 2.47 -0.85 5.07 4.77 -0.61 -4.95 117.00 119.12 2xcb n LEU 83 Ca 0.06 -0.82 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 2xcb n LEU 83 Cb 0.53 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 2xcb n LEU 83 CO 0.28 0.41 -0.10 0.61 -1.33 0.00 0.00 177.39 177.26 2xcb n GLY 84 N 1.29 0.37 3.10 -0.72 0.00 -0.43 -4.93 105.19 103.87 2xcb n GLY 84 Ca 0.16 -0.58 -0.44 0.00 0.00 0.00 0.00 46.02 45.16 2xcb n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2xcb n LEU 85 N -1.12 6.18 0.11 0.99 4.77 -0.15 -4.83 117.00 122.96 2xcb n LEU 85 Ca -0.09 -5.12 -0.02 0.00 -0.03 0.00 0.00 56.01 50.74 2xcb n LEU 85 Cb 0.47 -1.35 0.06 0.00 -2.33 0.00 0.00 43.42 40.27 2xcb n LEU 85 CO 0.12 1.57 0.37 1.88 -1.33 0.00 0.00 177.39 180.00 2xcb h TYR 86 N 5.81 0.00 -0.12 -1.77 0.05 -1.91 -0.91 116.97 118.11 2xcb h TYR 86 Ca 0.21 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.95 2xcb h TYR 86 Cb 0.69 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.42 2xcb h TYR 86 CO 0.96 0.73 -0.07 1.49 -1.05 0.00 0.00 178.16 180.22 2xcb h GLU 87 N 0.00 0.26 -0.39 4.88 4.81 -1.91 -1.88 114.58 120.36 2xcb h GLU 87 Ca -0.01 -0.12 -0.12 0.00 -0.13 0.00 0.00 59.36 58.99 2xcb h GLU 87 Cb 1.38 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.74 2xcb h GLU 87 CO 0.09 0.61 -0.24 1.96 -0.73 0.00 0.00 179.01 180.70 2xcb h GLN 88 N -0.09 0.78 -0.44 1.92 4.20 -1.94 -2.07 115.11 117.47 2xcb h GLN 88 Ca 0.03 -0.33 -0.01 0.00 0.06 0.00 0.00 58.65 58.40 2xcb h GLN 88 Cb 0.53 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.26 2xcb h GLN 88 CO 0.02 0.95 0.23 0.00 -0.67 0.00 0.00 178.83 179.35 2xcb h ALA 89 N 1.05 0.56 -0.80 3.87 0.00 -1.16 -2.18 119.26 120.59 2xcb h ALA 89 Ca 0.09 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.00 2xcb h ALA 89 Cb 0.76 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.31 2xcb h ALA 89 CO 0.06 0.10 0.44 1.25 0.00 0.00 0.00 179.25 181.11 2xcb h LEU 90 N 0.57 0.62 -0.11 0.00 5.85 -1.15 0.16 115.31 121.24 2xcb h LEU 90 Ca 0.15 0.05 0.04 0.00 0.84 0.00 0.00 57.88 58.97 2xcb h LEU 90 Cb 0.08 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.01 2xcb h LEU 90 CO -0.02 0.34 -0.17 1.56 -0.34 0.00 0.00 178.44 179.81 2xcb h GLN 91 N 0.73 -0.22 -0.31 1.25 4.20 -1.08 0.38 115.11 120.06 2xcb h GLN 91 Ca 0.39 0.01 0.05 0.00 0.06 0.00 0.00 58.65 59.17 2xcb h GLN 91 Cb 0.39 0.05 -0.05 0.00 0.30 0.00 0.00 27.48 28.17 2xcb h GLN 91 CO -0.26 -0.14 0.01 0.77 -0.67 0.00 0.00 178.83 178.54 2xcb h SER 92 N -0.22 -0.09 -0.36 1.46 0.02 -0.67 -1.07 113.55 112.61 2xcb h SER 92 Ca 0.09 0.07 -0.05 0.00 -0.84 0.00 0.00 61.79 61.05 2xcb h SER 92 Cb 0.35 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 2xcb h SER 92 CO -0.24 -0.01 0.07 1.88 -1.14 0.00 0.00 176.83 177.38 2xcb h TYR 93 N 0.11 0.71 -0.16 3.45 0.05 -0.52 -1.44 116.97 119.17 2xcb h TYR 93 Ca 0.15 -0.07 -0.00 0.00 0.05 0.00 0.00 58.73 58.86 2xcb h TYR 93 Cb 0.19 -0.21 -0.01 0.00 1.01 0.00 0.00 36.73 37.72 2xcb h TYR 93 CO -0.21 0.64 0.09 1.03 -1.05 0.00 0.00 178.16 178.65 2xcb h SER 94 N 0.66 0.19 -0.42 3.88 0.87 0.21 -1.10 113.55 117.84 2xcb h SER 94 Ca 0.14 -0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 2xcb h SER 94 Cb 0.32 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2xcb h SER 94 CO 0.00 0.20 0.21 0.22 -0.53 0.00 0.00 176.83 176.94 2xcb h TYR 95 N 0.17 0.59 -0.13 2.24 3.20 -1.14 -1.76 116.97 120.13 2xcb h TYR 95 Ca 0.06 -0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.94 2xcb h TYR 95 Cb 0.05 -0.18 -0.07 0.00 1.54 0.00 0.00 36.73 38.07 2xcb h TYR 95 CO -0.05 0.47 -0.44 0.78 -1.64 0.00 0.00 178.16 177.28 2xcb h GLY 96 N 0.53 -0.75 0.47 1.82 0.00 -1.11 -1.83 103.07 102.21 2xcb h GLY 96 Ca 0.14 0.54 0.11 0.00 0.00 0.00 0.00 47.33 48.12 2xcb h GLY 96 CO -0.02 -0.22 0.51 0.00 0.00 0.00 0.00 176.54 176.80 2xcb h ALA 97 N 0.07 1.28 -0.96 3.60 0.00 -1.16 -0.06 119.26 122.02 2xcb h ALA 97 Ca 0.07 0.04 0.02 0.00 0.00 0.00 0.00 54.91 55.04 2xcb h ALA 97 Cb 0.64 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2xcb h ALA 97 CO -0.40 0.10 0.63 1.25 0.00 0.00 0.00 179.25 180.83 2xcb h LEU 98 N 0.82 1.08 0.00 0.00 5.85 -0.78 -3.00 115.31 119.27 2xcb h LEU 98 Ca 0.43 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 59.13 2xcb h LEU 98 Cb 0.44 -0.26 0.00 0.00 0.37 0.00 0.00 40.66 41.21 2xcb h LEU 98 CO -0.27 0.76 -0.75 0.23 -0.34 0.00 0.00 178.44 178.07 2xcb n MET 99 N -4.44 0.04 -3.22 1.25 2.81 -0.74 -4.57 117.12 108.24 2xcb n MET 99 Ca 0.12 -0.00 -0.23 0.00 -1.81 0.00 0.00 57.70 55.78 2xcb n MET 99 Cb 0.05 -1.51 -0.07 0.00 -0.71 0.00 0.00 33.22 30.98 2xcb n MET 99 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2xcb n ASP 100 N -1.56 -0.68 0.17 7.83 -0.08 -0.09 -5.02 116.55 117.12 2xcb n ASP 100 Ca 0.04 -2.59 0.14 0.00 -1.51 0.00 0.00 54.79 50.87 2xcb n ASP 100 Cb 0.35 -0.22 0.54 0.00 2.34 0.00 0.00 41.12 44.13 2xcb n ASP 100 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 2xcb h ILE 101 N 3.63 0.00 -0.02 5.18 3.07 -1.79 -2.52 117.51 125.05 2xcb h ILE 101 Ca 0.15 -0.33 0.00 0.00 1.55 0.00 0.00 64.86 66.24 2xcb h ILE 101 Cb 0.92 1.15 0.00 0.00 -0.27 0.00 0.00 36.82 38.62 2xcb h ILE 101 CO 0.37 0.00 0.00 -0.46 -1.05 0.00 0.00 178.15 177.01 2xcb n ASN 102 N -2.50 2.21 -4.58 2.16 0.23 -1.26 -4.88 115.26 106.63 2xcb n ASN 102 Ca 0.02 -1.74 -0.43 0.00 -0.53 0.00 0.00 54.58 51.90 2xcb n ASN 102 Cb 0.26 -0.00 -0.03 0.00 -2.08 0.00 0.00 39.78 37.93 2xcb n ASN 102 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2xcb s GLU 103 N -2.00 3.63 0.51 -3.83 2.56 -0.95 -4.84 118.70 113.78 2xcb s GLU 103 Ca 0.33 0.36 0.30 0.00 0.00 0.00 0.00 54.97 55.97 2xcb s GLU 103 Cb 0.21 -3.92 1.09 0.00 2.00 0.00 0.00 34.13 33.50 2xcb s GLU 103 CO 0.32 -1.32 1.88 -1.00 -0.56 0.00 0.00 175.26 174.58 2xcb h PRO 104 N 9.18 0.00 0.00 4.30 0.13 -1.90 -3.12 132.00 140.59 2xcb h PRO 104 Ca -0.24 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.84 2xcb h PRO 104 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2xcb h PRO 104 CO 1.08 0.03 -0.26 0.00 -0.23 0.00 0.00 178.00 178.62 2xcb h ARG 105 N 0.00 0.00 0.72 0.86 3.08 -1.92 -2.80 114.38 114.32 2xcb h ARG 105 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2xcb h ARG 105 Cb 0.65 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.71 2xcb h ARG 105 CO 0.00 0.26 -0.35 0.74 -1.07 0.00 0.00 179.97 179.56 2xcb h PHE 106 N 0.00 -0.90 -0.32 3.04 0.04 -1.88 -2.27 116.94 114.66 2xcb h PHE 106 Ca -0.00 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.79 2xcb h PHE 106 Cb 0.62 0.30 -0.02 0.00 2.20 0.00 0.00 35.95 39.05 2xcb h PHE 106 CO 0.00 -0.56 0.22 -1.00 -0.60 0.00 0.00 178.31 176.37 2xcb h PRO 107 N -1.14 0.26 0.28 1.51 0.13 -1.78 0.14 132.00 131.40 2xcb h PRO 107 Ca -0.10 -0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 65.00 2xcb h PRO 107 Cb 0.74 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.81 2xcb h PRO 107 CO 0.16 0.17 -0.14 0.35 -0.23 0.00 0.00 178.00 178.32 2xcb h PHE 108 N 0.27 -0.37 -0.01 1.56 3.57 -1.49 0.11 116.94 120.58 2xcb h PHE 108 Ca 0.14 -0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.51 2xcb h PHE 108 Cb 0.21 0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.05 2xcb h PHE 108 CO -0.00 -0.23 -0.56 0.45 -2.23 0.00 0.00 178.31 175.74 2xcb h HIS 109 N -0.39 0.06 -0.50 0.41 3.86 -1.21 -1.98 115.15 115.40 2xcb h HIS 109 Ca -0.04 -0.02 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 2xcb h HIS 109 Cb 0.30 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2xcb h HIS 109 CO -0.06 0.59 0.01 0.00 0.86 0.00 0.00 177.93 179.33 2xcb h ALA 110 N 1.40 1.08 -0.19 2.45 0.00 -0.50 -2.17 119.26 121.33 2xcb h ALA 110 Ca -0.00 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.63 2xcb h ALA 110 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 2xcb h ALA 110 CO 0.08 0.58 0.07 0.00 0.00 0.00 0.00 179.25 179.98 2xcb h ALA 111 N 1.24 0.25 -0.73 0.00 0.00 -0.30 -0.07 119.26 119.65 2xcb h ALA 111 Ca 0.15 -0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.11 2xcb h ALA 111 Cb 0.45 -0.07 -0.12 0.00 0.00 0.00 0.00 17.79 18.04 2xcb h ALA 111 CO 0.02 -0.15 0.01 0.93 0.00 0.00 0.00 179.25 180.05 2xcb h GLU 112 N 0.15 0.11 -0.35 0.00 5.08 -1.11 0.65 114.58 119.10 2xcb h GLU 112 Ca 0.06 -0.01 -0.10 0.00 -1.00 0.00 0.00 59.36 58.32 2xcb h GLU 112 Cb 0.18 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 2xcb h GLU 112 CO -0.00 0.07 -0.17 0.00 -1.00 0.00 0.00 179.01 177.90 2xcb h HIS 114 N 0.59 1.13 0.70 0.00 3.86 0.61 -0.52 115.15 121.52 2xcb h HIS 114 Ca 0.09 0.03 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2xcb h HIS 114 Cb 0.63 -0.38 0.01 0.00 1.06 0.00 0.00 27.41 28.72 2xcb h HIS 114 CO 0.03 0.70 -0.34 -0.07 0.86 0.00 0.00 177.93 179.11 2xcb h LEU 115 N 1.21 -0.80 -1.97 2.43 3.38 -0.73 0.25 115.31 119.08 2xcb h LEU 115 Ca 0.34 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.52 2xcb h LEU 115 Cb -0.11 0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.82 2xcb h LEU 115 CO -0.08 -0.49 0.52 1.56 0.09 0.00 0.00 178.44 180.04 2xcb h GLN 116 N -1.07 0.03 -0.06 1.13 1.08 -1.51 0.75 115.11 115.46 2xcb h GLN 116 Ca -0.10 -0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2xcb h GLN 116 Cb 0.75 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 2xcb h GLN 116 CO 0.16 0.02 0.00 1.28 -0.95 0.00 0.00 178.83 179.34 2xcb n LEU 117 N -4.33 0.60 -3.92 1.46 4.32 -0.21 -4.93 117.00 110.00 2xcb n LEU 117 Ca 0.14 -0.25 -0.29 0.00 -0.02 0.00 0.00 56.01 55.60 2xcb n LEU 117 Cb 0.78 -0.04 0.02 0.00 -1.62 0.00 0.00 43.42 42.56 2xcb n LEU 117 CO 0.37 0.12 0.02 0.61 -1.22 0.00 0.00 177.39 177.30 2xcb n GLY 118 N 0.91 -0.42 3.01 -0.72 0.00 0.26 -4.97 105.19 103.26 2xcb n GLY 118 Ca 0.14 0.17 -0.33 0.00 0.00 0.00 0.00 46.02 46.01 2xcb n GLY 118 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2xcb s ASP 119 N -3.65 4.88 0.26 1.61 -1.08 0.79 -4.94 116.67 114.54 2xcb s ASP 119 Ca 0.46 -3.18 0.13 0.00 -0.52 0.00 0.00 52.55 49.45 2xcb s ASP 119 Cb -0.24 -1.74 0.21 0.00 -1.46 0.00 0.00 42.92 39.69 2xcb s ASP 119 CO 0.85 -0.25 1.51 -0.07 0.52 0.00 0.00 175.17 177.72 2xcb h LEU 120 N 6.44 0.00 -0.33 -1.34 3.38 -1.93 0.01 115.31 121.55 2xcb h LEU 120 Ca 0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2xcb h LEU 120 Cb 0.88 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.59 2xcb h LEU 120 CO 0.72 0.62 0.08 0.44 0.09 0.00 0.00 178.44 180.39 2xcb h ASP 121 N 0.00 0.06 -0.45 -0.43 3.32 -1.97 0.21 116.42 117.16 2xcb h ASP 121 Ca -0.01 0.05 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 2xcb h ASP 121 Cb 1.31 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.89 2xcb h ASP 121 CO 0.08 0.07 0.28 1.23 -1.72 0.00 0.00 179.24 179.18 2xcb h GLY 122 N 0.21 0.65 1.06 2.75 0.00 -1.85 -2.66 103.07 103.23 2xcb h GLY 122 Ca 0.15 -0.26 -0.06 0.00 0.00 0.00 0.00 47.33 47.16 2xcb h GLY 122 CO -0.18 0.25 0.23 0.00 0.00 0.00 0.00 176.54 176.84 2xcb h ALA 123 N 1.14 0.98 -0.08 3.60 0.00 -0.68 -2.35 119.26 121.87 2xcb h ALA 123 Ca 0.16 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 2xcb h ALA 123 Cb -0.03 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2xcb h ALA 123 CO -0.03 0.67 0.02 1.49 0.00 0.00 0.00 179.25 181.40 2xcb h GLU 124 N 1.12 0.13 -0.43 0.00 4.81 -0.79 -1.63 114.58 117.79 2xcb h GLU 124 Ca 0.24 -0.03 0.07 0.00 -0.13 0.00 0.00 59.36 59.51 2xcb h GLU 124 Cb 0.32 -0.02 -0.06 0.00 0.63 0.00 0.00 28.75 29.62 2xcb h GLU 124 CO -0.01 0.33 0.06 0.77 -0.73 0.00 0.00 179.01 179.43 2xcb h SER 125 N -0.08 -0.05 -0.29 1.04 0.02 -1.37 -0.75 113.55 112.07 2xcb h SER 125 Ca 0.03 0.08 -0.06 0.00 -0.84 0.00 0.00 61.79 60.99 2xcb h SER 125 Cb 0.25 0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.91 2xcb h SER 125 CO 0.00 0.01 -0.07 1.23 -1.14 0.00 0.00 176.83 176.86 2xcb h GLY 126 N 0.19 0.61 1.08 -3.77 0.00 -1.22 0.23 103.07 100.19 2xcb h GLY 126 Ca 0.21 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 2xcb h GLY 126 CO -0.30 0.46 -0.00 0.74 0.00 0.00 0.00 176.54 177.43 2xcb h PHE 127 N 0.32 1.17 0.02 5.60 0.04 -1.18 0.71 116.94 123.62 2xcb h PHE 127 Ca 0.07 -0.21 -0.00 0.00 2.80 0.00 0.00 57.97 60.64 2xcb h PHE 127 Cb 0.55 -0.30 0.00 0.00 2.20 0.00 0.00 35.95 38.40 2xcb h PHE 127 CO 0.05 1.03 -0.01 -0.92 -0.60 0.00 0.00 178.31 177.87 2xcb h TYR 128 N 0.97 -0.02 -0.71 -0.55 3.20 -1.03 0.35 116.97 119.18 2xcb h TYR 128 Ca 0.17 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.01 2xcb h TYR 128 Cb 0.57 0.01 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 2xcb h TYR 128 CO 0.04 0.00 0.31 1.03 -1.64 0.00 0.00 178.16 177.90 2xcb h SER 129 N -0.04 0.96 -0.36 -2.11 0.87 -0.04 -1.93 113.55 110.90 2xcb h SER 129 Ca -0.00 -0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 2xcb h SER 129 Cb 0.03 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2xcb h SER 129 CO 0.00 0.85 0.24 0.00 -0.53 0.00 0.00 176.83 177.39 2xcb h ALA 130 N 1.15 0.46 -0.38 6.23 0.00 0.83 -1.69 119.26 125.87 2xcb h ALA 130 Ca 0.24 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.15 2xcb h ALA 130 Cb 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 2xcb h ALA 130 CO -0.02 -0.07 0.20 -0.09 0.00 0.00 0.00 179.25 179.26 2xcb h ARG 131 N 0.49 0.39 -0.65 0.00 2.43 -0.16 -2.18 114.38 114.69 2xcb h ARG 131 Ca 0.13 -0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.22 2xcb h ARG 131 Cb -0.05 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.39 2xcb h ARG 131 CO -0.03 0.26 0.17 0.00 -1.51 0.00 0.00 179.97 178.86 2xcb h ALA 132 N 1.19 1.07 -0.15 2.80 0.00 -0.88 -2.31 119.26 120.99 2xcb h ALA 132 Ca 0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 2xcb h ALA 132 Cb 0.05 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2xcb h ALA 132 CO -0.10 0.62 -0.01 -0.07 0.00 0.00 0.00 179.25 179.68 2xcb h LEU 133 N 0.97 0.28 -0.75 0.00 3.38 -1.10 -3.18 115.31 114.91 2xcb h LEU 133 Ca 0.21 -0.33 -0.04 0.00 0.09 0.00 0.00 57.88 57.81 2xcb h LEU 133 Cb 0.32 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2xcb h LEU 133 CO -0.00 0.54 0.31 0.00 0.09 0.00 0.00 178.44 179.38 2xcb h ALA 134 N 0.74 0.98 -0.04 1.53 0.00 -1.30 -1.80 119.26 119.38 2xcb h ALA 134 Ca 0.04 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.78 2xcb h ALA 134 Cb 0.41 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 2xcb h ALA 134 CO 0.01 0.59 0.03 0.00 0.00 0.00 0.00 179.25 179.88 2xcb h ALA 135 N 1.16 1.94 -0.03 0.00 0.00 -1.49 0.44 119.26 121.28 2xcb h ALA 135 Ca 0.25 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2xcb h ALA 135 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2xcb h ALA 135 CO -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.18 2xcb n ALA 136 N -2.50 2.62 -3.94 0.00 0.00 -0.68 -4.81 120.51 111.19 2xcb n ALA 136 Ca -0.02 -0.29 -0.29 0.00 0.00 0.00 0.00 53.44 52.84 2xcb n ALA 136 Cb 0.12 -1.33 -0.16 0.00 0.00 0.00 0.00 19.45 18.08 2xcb n ALA 136 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2xcb s GLN 137 N -1.97 1.77 0.25 0.00 -0.21 0.14 -5.04 119.66 114.61 2xcb s GLN 137 Ca 0.39 -0.54 -0.05 0.00 0.02 0.00 0.00 55.36 55.17 2xcb s GLN 137 Cb 0.19 -2.03 0.28 0.00 1.00 0.00 0.00 33.01 32.45 2xcb s GLN 137 CO 0.31 -0.36 1.89 -1.35 -2.12 0.00 0.00 175.29 173.67 2xcb h PRO 138 N 8.08 1.22 -0.42 2.91 0.11 -1.87 -1.61 132.00 140.42 2xcb h PRO 138 Ca -0.29 -0.12 0.05 0.00 0.11 0.00 0.00 66.00 65.75 2xcb h PRO 138 Cb 1.12 -0.25 -0.02 0.00 0.11 0.00 0.00 31.00 31.95 2xcb h PRO 138 CO 0.45 0.86 0.28 0.00 -0.21 0.00 0.00 178.00 179.38 2xcb h ALA 139 N 1.34 1.94 -0.88 -0.75 0.00 -1.96 -2.60 119.26 116.34 2xcb h ALA 139 Ca 0.32 -0.02 -0.42 0.00 0.00 0.00 0.00 54.91 54.79 2xcb h ALA 139 Cb -0.03 -0.09 -0.25 0.00 0.00 0.00 0.00 17.79 17.42 2xcb h ALA 139 CO -0.06 -0.00 0.54 0.72 0.00 0.00 0.00 179.25 180.44 2xcb n HIS 140 N -4.48 2.76 -0.17 0.00 8.25 -0.61 -4.69 115.22 116.29 2xcb n HIS 140 Ca 0.05 -1.62 -0.10 0.00 -0.26 0.00 0.00 57.72 55.79 2xcb n HIS 140 Cb 0.22 -0.85 0.00 0.00 1.12 0.00 0.00 29.99 30.48 2xcb n HIS 140 CO 0.00 0.00 0.00 1.49 0.64 0.00 0.00 176.34 178.47 2xcb h GLU 141 N 1.30 0.84 -0.10 -0.41 4.81 -1.45 -2.69 114.58 116.89 2xcb h GLU 141 Ca 0.52 -0.27 0.04 0.00 -0.13 0.00 0.00 59.36 59.52 2xcb h GLU 141 Cb 2.65 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 31.91 2xcb h GLU 141 CO 0.96 0.89 -0.15 0.00 -0.73 0.00 0.00 179.01 179.98 2xcb h ALA 142 N 0.93 -0.09 -0.98 2.92 0.00 -1.86 -3.19 119.26 116.98 2xcb h ALA 142 Ca 0.14 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.26 2xcb h ALA 142 Cb 0.50 0.29 -0.10 0.00 0.00 0.00 0.00 17.79 18.48 2xcb h ALA 142 CO 0.02 -0.61 0.59 1.25 0.00 0.00 0.00 179.25 180.51 2xcb h LEU 143 N -0.20 0.77 -1.64 0.00 5.85 -1.83 -2.12 115.31 116.14 2xcb h LEU 143 Ca 0.08 0.09 0.33 0.00 0.84 0.00 0.00 57.88 59.22 2xcb h LEU 143 Cb 0.31 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.21 2xcb h LEU 143 CO -0.21 0.30 0.79 0.00 -0.34 0.00 0.00 178.44 178.98 2xcb h ALA 144 N 1.62 2.70 0.00 1.25 0.00 -1.52 -1.65 119.26 121.66 2xcb h ALA 144 Ca 0.55 0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2xcb h ALA 144 Cb 0.80 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.67 2xcb h ALA 144 CO -0.36 -1.11 -1.21 0.00 0.00 0.00 0.00 179.25 176.57 2xcb n ALA 145 N -2.61 3.17 -0.26 0.00 0.00 -0.80 -1.09 120.51 118.92 2xcb n ALA 145 Ca 0.27 -0.40 -0.06 0.00 0.00 0.00 0.00 53.44 53.25 2xcb n ALA 145 Cb 1.13 -0.95 0.05 0.00 0.00 0.00 0.00 19.45 19.68 2xcb n ALA 145 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2xcb h ARG 146 N 0.00 1.03 0.27 0.00 2.43 -1.40 -0.31 114.38 116.41 2xcb h ARG 146 Ca 0.00 -0.15 -0.01 0.00 -0.81 0.00 0.00 59.98 59.01 2xcb h ARG 146 Cb 0.82 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.19 2xcb h ARG 146 CO 0.00 0.80 -0.13 0.00 -1.51 0.00 0.00 179.97 179.13 2xcb h ALA 147 N 1.17 -0.37 -0.62 2.80 0.00 -1.42 -1.45 119.26 119.38 2xcb h ALA 147 Ca 0.25 -0.16 0.12 0.00 0.00 0.00 0.00 54.91 55.12 2xcb h ALA 147 Cb 0.11 0.14 -0.12 0.00 0.00 0.00 0.00 17.79 17.92 2xcb h ALA 147 CO -0.03 -0.59 -0.19 0.78 0.00 0.00 0.00 179.25 179.22 2xcb h GLY 148 N -0.60 0.35 0.96 0.00 0.00 -1.09 0.52 103.07 103.21 2xcb h GLY 148 Ca -0.04 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.45 2xcb h GLY 148 CO 0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 176.54 176.25 2xcb h ALA 149 N 1.51 0.51 -0.47 3.60 0.00 -1.03 -2.67 119.26 120.70 2xcb h ALA 149 Ca 0.29 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 2xcb h ALA 149 Cb 0.48 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2xcb h ALA 149 CO -0.65 0.39 0.04 0.52 0.00 0.00 0.00 179.25 179.55 2xcb h MET 150 N 0.53 0.75 0.15 0.00 2.86 -0.83 -2.71 114.93 115.68 2xcb h MET 150 Ca 0.09 -0.18 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 2xcb h MET 150 Cb 0.64 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2xcb h MET 150 CO 0.04 0.74 -0.21 1.25 1.06 0.00 0.00 176.91 179.79 2xcb h LEU 151 N 0.72 -0.56 -0.95 1.22 5.85 0.33 -2.37 115.31 119.54 2xcb h LEU 151 Ca 0.15 0.06 0.13 0.00 0.84 0.00 0.00 57.88 59.06 2xcb h LEU 151 Cb 0.38 0.21 -0.09 0.00 0.37 0.00 0.00 40.66 41.53 2xcb h LEU 151 CO 0.01 -0.30 0.58 -0.33 -0.34 0.00 0.00 178.44 178.06 2xcb h GLU 152 N -0.41 0.86 -0.23 1.25 5.08 -1.43 -1.34 114.58 118.36 2xcb h GLU 152 Ca 0.02 -0.05 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2xcb h GLU 152 Cb 0.41 -0.19 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2xcb h GLU 152 CO -0.09 0.57 -0.28 0.00 -1.00 0.00 0.00 179.01 178.21 2xcb h ALA 153 N 1.54 -0.21 0.03 3.43 0.00 -1.26 -3.24 119.26 119.55 2xcb h ALA 153 Ca 0.49 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.46 2xcb h ALA 153 Cb 0.55 0.56 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2xcb h ALA 153 CO -0.29 -0.72 -0.01 -0.24 0.00 0.00 0.00 179.25 177.99 2xcb h VAL 154 N -0.30 1.09 0.00 0.00 3.04 -0.74 -2.94 116.25 116.41 2xcb h VAL 154 Ca 0.13 -0.36 0.00 0.00 -1.01 0.00 0.00 66.70 65.46 2xcb h VAL 154 Cb 0.50 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.11 2xcb h VAL 154 CO -0.40 0.09 0.17 0.35 -1.01 0.00 0.00 177.57 176.78 2xcb n THR 155 N -5.03 0.97 0.90 3.17 -2.24 -0.84 -5.04 114.28 106.17 2xcb n THR 155 Ca -0.08 0.68 0.11 0.00 -2.27 0.00 0.00 64.05 62.49 2xcb n THR 155 Cb 0.11 -1.68 0.09 0.00 -2.10 0.00 0.00 70.33 66.75 2xcb n THR 155 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50