#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn n ASP 3 N 0.00 -0.43 -0.05 0.00 2.03 -1.26 -5.04 116.55 111.80 2ctn n ASP 3 Ca 0.00 -0.19 -0.10 0.00 0.52 0.00 0.00 54.79 55.02 2ctn n ASP 3 Cb 0.00 0.00 -0.03 0.00 -0.72 0.00 0.00 41.12 40.37 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ctn n ILE 4 N -1.35 1.10 0.07 5.18 5.41 -1.26 -4.64 119.36 123.88 2ctn n ILE 4 Ca 0.00 0.04 -0.08 0.00 1.00 0.00 0.00 62.75 63.71 2ctn n ILE 4 Cb 0.00 -1.85 0.04 0.00 -0.71 0.00 0.00 39.64 37.13 2ctn n ILE 4 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 176.55 178.43 2ctn h TYR 5 N -0.52 0.38 -0.57 1.39 0.05 -1.96 -3.28 116.97 112.46 2ctn h TYR 5 Ca -0.18 -0.18 0.10 0.00 0.05 0.00 0.00 58.73 58.52 2ctn h TYR 5 Cb 0.91 -0.06 -0.11 0.00 1.01 0.00 0.00 36.73 38.48 2ctn h TYR 5 CO -0.14 0.92 -0.34 -0.22 -1.05 0.00 0.00 178.16 177.34 2ctn h LYS 6 N 0.18 -0.17 -1.27 4.88 3.11 -1.95 0.51 116.57 121.87 2ctn h LYS 6 Ca -0.03 0.01 0.38 0.00 -2.81 0.00 0.00 60.65 58.20 2ctn h LYS 6 Cb 1.32 0.04 -0.10 0.00 -1.00 0.00 0.00 32.23 32.49 2ctn h LYS 6 CO 0.12 -0.11 0.84 0.00 -2.81 0.00 0.00 179.45 177.49 2ctn h ALA 7 N 0.96 2.74 0.01 5.00 0.00 -1.82 0.49 119.26 126.63 2ctn h ALA 7 Ca 0.22 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2ctn h ALA 7 Cb 0.55 0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2ctn h ALA 7 CO -0.66 -1.25 -0.01 0.00 0.00 0.00 0.00 179.25 177.33 2ctn h ALA 8 N 1.53 -0.01 0.00 0.00 0.00 -0.18 -3.13 119.26 117.46 2ctn h ALA 8 Ca 0.72 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 55.24 2ctn h ALA 8 Cb 2.30 0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.10 2ctn h ALA 8 CO -0.28 -0.09 0.09 0.28 0.00 0.00 0.00 179.25 179.25 2ctn h VAL 9 N -0.86 0.00 0.00 0.00 2.07 -0.10 0.12 116.25 117.49 2ctn h VAL 9 Ca -0.00 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.34 2ctn h VAL 9 Cb 0.80 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 2ctn h VAL 9 CO 0.00 0.00 -1.11 -0.08 0.02 0.00 0.00 177.57 176.40 2ctn h GLU 10 N 0.00 0.00 -0.05 1.57 4.57 -1.13 -3.25 114.58 116.29 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2ctn h GLU 10 Cb 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.77 2ctn h GLU 10 CO 0.00 0.55 0.00 1.04 -1.18 0.00 0.00 179.01 179.42 2ctn n GLN 11 N -3.12 1.60 -0.85 1.92 6.02 0.40 -4.92 117.38 118.43 2ctn n GLN 11 Ca -0.05 -0.88 -0.32 0.00 -0.01 0.00 0.00 57.00 55.74 2ctn n GLN 11 Cb 0.87 -1.45 0.15 0.00 1.02 0.00 0.00 30.24 30.83 2ctn n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ctn s LEU 12 N -1.87 2.93 0.24 1.08 1.43 -1.06 -5.00 118.68 116.43 2ctn s LEU 12 Ca 0.37 2.20 -0.03 0.00 -1.03 0.00 0.00 54.13 55.63 2ctn s LEU 12 Cb 0.20 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.80 2ctn s LEU 12 CO 0.31 -2.90 0.48 0.42 0.23 0.00 0.00 176.35 174.89 2ctn s THR 13 N -2.56 5.10 0.64 5.49 -4.23 -1.26 -4.93 115.64 113.90 2ctn s THR 13 Ca 0.68 -0.10 0.24 0.00 -1.18 0.00 0.00 61.69 61.32 2ctn s THR 13 Cb -0.23 -3.72 0.27 0.00 1.34 0.00 0.00 72.50 70.15 2ctn s THR 13 CO 0.56 -0.24 1.69 -0.33 -0.54 0.00 0.00 174.62 175.76 2ctn h GLU 14 N 1.90 0.00 -0.11 3.99 3.07 -1.99 0.37 114.58 121.80 2ctn h GLU 14 Ca -0.48 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.21 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 29.09 2ctn h GLU 14 CO 0.67 0.00 -0.66 1.49 -1.40 0.00 0.00 179.01 179.12 2ctn h GLU 15 N 0.00 0.43 0.09 2.33 4.81 -1.99 -2.17 114.58 118.07 2ctn h GLU 15 Ca 0.09 -0.32 -0.15 0.00 -0.13 0.00 0.00 59.36 58.85 2ctn h GLU 15 Cb 1.22 0.05 0.02 0.00 0.63 0.00 0.00 28.75 30.67 2ctn h GLU 15 CO -0.00 0.94 -0.64 1.96 -0.73 0.00 0.00 179.01 180.53 2ctn h GLN 16 N 0.31 0.28 -0.27 1.92 7.50 -0.64 -3.09 115.11 121.12 2ctn h GLN 16 Ca -0.02 -0.42 -0.01 0.00 0.50 0.00 0.00 58.65 58.71 2ctn h GLN 16 Cb 1.21 0.15 -0.01 0.00 0.05 0.00 0.00 27.48 28.88 2ctn h GLN 16 CO 0.11 1.16 0.14 0.87 -1.50 0.00 0.00 178.83 179.62 2ctn h LYS 17 N -0.38 0.38 -0.94 1.46 1.57 -1.55 -0.61 116.57 116.49 2ctn h LYS 17 Ca -0.11 -0.05 0.08 0.00 -1.87 0.00 0.00 60.65 58.71 2ctn h LYS 17 Cb 1.46 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 33.63 2ctn h LYS 17 CO 0.12 0.34 0.61 -0.91 -0.57 0.00 0.00 179.45 179.04 2ctn h ASN 18 N 0.31 0.92 -0.12 0.86 2.35 -1.51 0.21 115.58 118.60 2ctn h ASN 18 Ca 0.09 0.02 -0.09 0.00 -0.55 0.00 0.00 56.30 55.77 2ctn h ASN 18 Cb 0.08 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.27 2ctn h ASN 18 CO -0.01 0.57 -0.29 -0.33 -1.65 0.00 0.00 177.43 175.71 2ctn h GLU 19 N 1.03 0.41 0.15 0.81 5.08 -1.37 -2.29 114.58 118.40 2ctn h GLU 19 Ca 0.42 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.49 2ctn h GLU 19 Cb 0.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ctn h GLU 19 CO -0.17 0.89 -0.07 0.74 -1.00 0.00 0.00 179.01 179.39 2ctn h PHE 20 N -0.01 -0.19 -0.86 4.33 0.04 -0.62 -0.65 116.94 118.98 2ctn h PHE 20 Ca -0.00 -0.00 0.21 0.00 2.80 0.00 0.00 57.97 60.97 2ctn h PHE 20 Cb 0.89 0.06 -0.15 0.00 2.20 0.00 0.00 35.95 38.95 2ctn h PHE 20 CO 0.11 -0.12 0.00 0.87 -0.60 0.00 0.00 178.31 178.57 2ctn h LYS 21 N -0.35 0.07 0.81 1.51 1.57 -0.77 0.88 116.57 120.29 2ctn h LYS 21 Ca -0.02 -0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2ctn h LYS 21 Cb 0.16 -0.02 0.01 0.00 0.08 0.00 0.00 32.23 32.46 2ctn h LYS 21 CO 0.03 0.05 -0.39 0.00 -0.57 0.00 0.00 179.45 178.57 2ctn h ALA 22 N 1.83 -1.24 -0.81 3.86 0.00 -1.47 -2.57 119.26 118.87 2ctn h ALA 22 Ca 0.49 -0.24 0.19 0.00 0.00 0.00 0.00 54.91 55.35 2ctn h ALA 22 Cb 0.91 0.42 -0.14 0.00 0.00 0.00 0.00 17.79 18.98 2ctn h ALA 22 CO -0.78 -1.16 0.03 0.00 0.00 0.00 0.00 179.25 177.35 2ctn h ALA 23 N -1.45 0.90 -0.53 0.00 0.00 0.01 0.23 119.26 118.41 2ctn h ALA 23 Ca -0.11 0.25 0.11 0.00 0.00 0.00 0.00 54.91 55.16 2ctn h ALA 23 Cb 0.83 0.43 -0.09 0.00 0.00 0.00 0.00 17.79 18.96 2ctn h ALA 23 CO 0.18 -0.44 -0.02 0.35 0.00 0.00 0.00 179.25 179.32 2ctn h PHE 24 N 0.11 -0.07 -0.66 0.00 3.04 -0.69 0.01 116.94 118.68 2ctn h PHE 24 Ca 0.46 0.04 -0.04 0.00 3.98 0.00 0.00 57.97 62.41 2ctn h PHE 24 Cb 0.84 0.11 -0.03 0.00 2.56 0.00 0.00 35.95 39.43 2ctn h PHE 24 CO -0.42 -0.14 0.25 0.22 -2.02 0.00 0.00 178.31 176.20 2ctn h ASP 25 N 0.10 0.89 0.64 0.41 1.82 -0.19 0.73 116.42 120.82 2ctn h ASP 25 Ca 0.27 -0.13 -0.00 0.00 -0.39 0.00 0.00 57.03 56.78 2ctn h ASP 25 Cb 0.42 -0.23 -0.00 0.00 0.68 0.00 0.00 39.33 40.20 2ctn h ASP 25 CO -0.46 0.80 -0.01 0.40 -1.61 0.00 0.00 179.24 178.36 2ctn h ILE 26 N 0.95 0.05 0.00 2.25 2.04 -0.08 -2.10 117.51 120.62 2ctn h ILE 26 Ca 0.22 -0.36 -0.02 0.00 1.00 0.00 0.00 64.86 65.70 2ctn h ILE 26 Cb 0.20 1.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2ctn h ILE 26 CO -0.02 0.01 -1.54 0.49 0.00 0.00 0.00 178.15 177.09 2ctn n PHE 27 N -3.13 0.00 1.17 1.37 3.72 -0.60 -4.43 117.46 115.56 2ctn n PHE 27 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.52 2ctn n PHE 27 Cb 0.23 -0.29 0.38 0.00 -0.94 0.00 0.00 39.48 38.86 2ctn n PHE 27 CO 0.00 0.00 0.00 0.28 -0.05 0.00 0.00 176.76 176.99 2ctn n VAL 28 N -1.95 0.00 -0.17 -4.37 0.31 0.25 -3.96 118.33 108.43 2ctn n VAL 28 Ca -0.04 -0.07 0.26 0.00 -0.01 0.00 0.00 64.34 64.48 2ctn n VAL 28 Cb 0.36 0.23 0.68 0.00 -0.91 0.00 0.00 33.84 34.20 2ctn n VAL 28 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ctn h LEU 29 N 0.64 0.09 -2.68 7.52 5.85 -1.59 0.45 115.31 125.58 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2ctn h LEU 29 Cb 0.48 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.51 2ctn h LEU 29 CO 0.00 0.03 0.00 0.61 -0.34 0.00 0.00 178.44 178.74 2ctn n GLY 30 N -1.66 2.34 1.08 3.75 0.00 -1.25 -5.02 105.19 104.42 2ctn n GLY 30 Ca 0.18 -0.37 -0.06 0.00 0.00 0.00 0.00 46.02 45.76 2ctn n GLY 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ctn n ALA 31 N 0.53 -1.12 -0.07 4.61 0.00 0.16 -4.97 120.51 119.66 2ctn n ALA 31 Ca 0.11 -0.33 -0.08 0.00 0.00 0.00 0.00 53.44 53.14 2ctn n ALA 31 Cb 0.41 -0.03 -0.08 0.00 0.00 0.00 0.00 19.45 19.75 2ctn n ALA 31 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ctn n GLU 32 N -1.53 1.06 -0.31 0.00 2.13 -1.26 -4.75 120.64 115.97 2ctn n GLU 32 Ca 0.03 0.05 0.02 0.00 0.66 0.00 0.00 57.16 57.91 2ctn n GLU 32 Cb 0.13 -1.29 0.02 0.00 0.27 0.00 0.00 31.44 30.57 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2ctn n ASP 33 N -2.73 0.46 -0.27 4.31 8.00 -1.26 -4.98 116.55 120.08 2ctn n ASP 33 Ca -0.23 -1.98 0.00 0.00 0.71 0.00 0.00 54.79 53.29 2ctn n ASP 33 Cb 0.81 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.72 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2ctn n GLY 34 N -0.25 0.97 3.58 0.44 0.00 -1.26 -5.08 105.19 103.59 2ctn n GLY 34 Ca 0.02 -0.45 -0.09 0.00 0.00 0.00 0.00 46.02 45.50 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2ctn s SER 35 N -2.64 -0.14 -0.24 1.61 0.15 -1.26 -4.70 113.70 106.49 2ctn s SER 35 Ca 0.00 -0.77 0.00 0.00 0.70 0.00 0.00 55.95 55.88 2ctn s SER 35 Cb 0.00 0.59 0.07 0.00 -1.71 0.00 0.00 66.02 64.96 2ctn s SER 35 CO 0.00 -1.12 -0.02 0.27 1.20 0.00 0.00 173.24 173.57 2ctn s ILE 36 N -3.96 1.36 0.76 6.45 -4.36 -0.94 -4.53 121.20 115.98 2ctn s ILE 36 Ca 0.17 -1.19 -0.03 0.00 -0.26 0.00 0.00 60.65 59.34 2ctn s ILE 36 Cb -0.01 -1.71 0.14 0.00 1.25 0.00 0.00 42.46 42.13 2ctn s ILE 36 CO 0.05 -0.19 1.05 -0.94 0.24 0.00 0.00 174.94 175.15 2ctn s SER 37 N 1.46 4.15 0.60 4.36 1.04 -1.26 -1.60 113.70 122.45 2ctn s SER 37 Ca -0.03 -0.25 0.31 0.00 0.48 0.00 0.00 55.95 56.46 2ctn s SER 37 Cb -0.18 -0.08 1.16 0.00 0.10 0.00 0.00 66.02 67.02 2ctn s SER 37 CO -0.08 -2.00 1.47 0.00 0.98 0.00 0.00 173.24 173.61 2ctn h THR 38 N -0.71 0.08 0.00 2.02 1.03 -1.03 2.14 112.91 116.45 2ctn h THR 38 Ca -0.38 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.84 2ctn h THR 38 Cb 1.26 0.14 -0.03 0.00 -1.07 0.00 0.00 68.15 68.45 2ctn h THR 38 CO 0.40 0.00 -1.04 0.50 -0.01 0.00 0.00 175.52 175.37 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 1.63 -1.90 -3.17 116.57 113.13 2ctn h LYS 39 Ca 0.50 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.30 2ctn h LYS 39 Cb 2.69 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 34.32 2ctn h LYS 39 CO -0.01 0.63 -1.74 0.39 -3.45 0.00 0.00 179.45 175.27 2ctn n GLU 40 N -3.17 0.52 0.08 1.90 -0.58 0.61 -4.44 120.64 115.56 2ctn n GLU 40 Ca -0.04 -0.15 -0.11 0.00 -0.42 0.00 0.00 57.16 56.44 2ctn n GLU 40 Cb 0.87 -1.39 -0.13 0.00 -0.57 0.00 0.00 31.44 30.22 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 2ctn h LEU 41 N 0.00 0.20 -0.05 -4.62 7.12 0.18 -3.27 115.31 114.86 2ctn h LEU 41 Ca 0.00 -0.21 0.02 0.00 0.13 0.00 0.00 57.88 57.82 2ctn h LEU 41 Cb 0.75 -0.06 -0.04 0.00 -0.53 0.00 0.00 40.66 40.78 2ctn h LEU 41 CO 0.00 1.17 -0.34 1.23 -0.13 0.00 0.00 178.44 180.36 2ctn h GLY 42 N 2.36 -1.25 1.81 3.75 0.00 -1.72 0.47 103.07 108.48 2ctn h GLY 42 Ca -0.07 0.67 0.00 0.00 0.00 0.00 0.00 47.33 47.92 2ctn h GLY 42 CO 0.16 -0.34 0.09 0.50 0.00 0.00 0.00 176.54 176.95 2ctn h LYS 43 N -0.39 0.00 0.00 4.80 1.57 -1.82 0.13 116.57 120.86 2ctn h LYS 43 Ca 0.01 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2ctn h LYS 43 Cb 0.44 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2ctn h LYS 43 CO -0.26 0.00 -0.58 0.28 -0.57 0.00 0.00 179.45 178.32 2ctn h VAL 44 N 0.00 0.22 0.18 0.50 2.07 -0.32 -3.17 116.25 115.73 2ctn h VAL 44 Ca 0.00 -1.35 -0.30 0.00 0.82 0.00 0.00 66.70 65.86 2ctn h VAL 44 Cb 0.19 1.93 0.02 0.00 -1.52 0.00 0.00 31.29 31.90 2ctn h VAL 44 CO 0.00 0.13 -1.38 0.24 0.02 0.00 0.00 177.57 176.57 2ctn h MET 45 N 0.00 0.38 -0.00 1.57 2.86 0.23 -3.25 114.93 116.72 2ctn h MET 45 Ca -0.02 -0.64 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 2ctn h MET 45 Cb 1.15 0.24 0.00 0.00 0.06 0.00 0.00 31.60 33.05 2ctn h MET 45 CO 0.02 1.30 -0.04 -2.13 1.06 0.00 0.00 176.91 177.12 2ctn n ARG 46 N -3.60 0.42 0.10 1.72 3.00 -1.10 -2.81 116.66 114.39 2ctn n ARG 46 Ca -0.13 -0.05 -0.15 0.00 -0.00 0.00 0.00 57.85 57.52 2ctn n ARG 46 Cb 1.06 -1.50 -0.14 0.00 0.00 0.00 0.00 32.46 31.88 2ctn n ARG 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2ctn h MET 47 N 0.12 0.26 0.03 -0.14 -0.00 -1.58 -3.38 114.93 110.24 2ctn h MET 47 Ca 0.00 -0.44 -0.00 0.00 -0.00 0.00 0.00 59.70 59.26 2ctn h MET 47 Cb 0.33 0.16 0.00 0.00 -0.00 0.00 0.00 31.60 32.10 2ctn h MET 47 CO 0.00 1.21 -0.02 -0.07 -0.00 0.00 0.00 176.91 178.03 2ctn h LEU 48 N 0.07 -0.04 0.00 -0.10 3.38 -1.67 -3.48 115.31 113.47 2ctn h LEU 48 Ca -0.13 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2ctn h LEU 48 Cb 1.96 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.72 2ctn h LEU 48 CO 0.20 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.83 2ctn n GLY 49 N 1.65 -0.59 0.00 0.83 0.00 -1.24 -5.17 105.19 100.66 2ctn n GLY 49 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 46.02 46.22 2ctn n GLY 49 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2ctn n GLN 50 N 0.00 0.98 -2.69 1.61 1.13 -1.12 -5.05 117.38 112.24 2ctn n GLN 50 Ca 0.00 0.00 -0.06 0.00 -1.94 0.00 0.00 57.00 55.00 2ctn n GLN 50 Cb 0.00 0.00 0.09 0.00 0.11 0.00 0.00 30.24 30.44 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2ctn n ASN 51 N -1.62 -1.74 -2.92 1.08 4.05 -1.26 -4.60 115.26 108.25 2ctn n ASN 51 Ca 0.00 -2.53 -0.12 0.00 0.45 0.00 0.00 54.58 52.38 2ctn n ASN 51 Cb 0.00 1.37 0.10 0.00 1.23 0.00 0.00 39.78 42.48 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2ctn n PRO 52 N 0.76 -1.67 -4.53 1.20 -0.04 -1.26 -5.08 135.00 124.38 2ctn n PRO 52 Ca 0.00 -0.75 -0.25 0.00 -0.04 0.00 0.00 63.50 62.46 2ctn n PRO 52 Cb 0.72 -0.66 -0.10 0.00 -0.04 0.00 0.00 33.50 33.41 2ctn n PRO 52 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2ctn s THR 53 N -1.89 2.29 0.01 0.52 -4.23 -1.26 -5.02 115.64 106.07 2ctn s THR 53 Ca 0.30 -2.25 0.29 0.00 -1.18 0.00 0.00 61.69 58.84 2ctn s THR 53 Cb -0.03 -2.57 0.33 0.00 1.34 0.00 0.00 72.50 71.58 2ctn s THR 53 CO 0.23 -0.25 1.86 1.55 -0.54 0.00 0.00 174.62 177.47 2ctn h PRO 54 N 2.08 0.00 0.19 3.99 0.13 -1.99 -0.38 132.00 136.03 2ctn h PRO 54 Ca -0.42 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.39 2ctn h PRO 54 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 2ctn h PRO 54 CO 0.68 0.08 -1.54 1.05 -0.23 0.00 0.00 178.00 178.04 2ctn h GLU 55 N 0.00 0.41 0.00 0.86 4.11 -2.03 -3.34 114.58 114.59 2ctn h GLU 55 Ca -0.00 -0.70 -0.03 0.00 0.07 0.00 0.00 59.36 58.70 2ctn h GLU 55 Cb 0.68 0.26 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2ctn h GLU 55 CO 0.01 1.34 -0.42 1.49 0.07 0.00 0.00 179.01 181.50 2ctn h GLU 56 N 0.01 0.00 -0.62 1.06 4.81 -1.96 -3.30 114.58 114.58 2ctn h GLU 56 Ca -0.30 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.06 2ctn h GLU 56 Cb 2.03 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 31.30 2ctn h GLU 56 CO 0.19 0.10 -0.10 1.25 -0.73 0.00 0.00 179.01 179.72 2ctn h LEU 57 N 0.00 -0.47 -0.05 1.64 6.46 -1.18 1.77 115.31 123.48 2ctn h LEU 57 Ca -0.01 0.18 -0.18 0.00 -0.12 0.00 0.00 57.88 57.75 2ctn h LEU 57 Cb 1.10 0.35 -0.03 0.00 -0.73 0.00 0.00 40.66 41.35 2ctn h LEU 57 CO 0.01 -0.18 -0.84 -0.61 -0.62 0.00 0.00 178.44 176.21 2ctn h GLN 58 N 0.04 0.00 0.03 1.25 5.75 -1.75 -3.15 115.11 117.27 2ctn h GLN 58 Ca 0.31 0.00 -0.26 0.00 -0.15 0.00 0.00 58.65 58.55 2ctn h GLN 58 Cb 0.49 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.06 2ctn h GLN 58 CO -0.61 0.84 -1.06 1.49 -2.65 0.00 0.00 178.83 176.84 2ctn h GLU 59 N 0.00 0.60 -0.21 1.69 4.81 -1.06 -2.75 114.58 117.65 2ctn h GLU 59 Ca -0.01 -0.68 -0.01 0.00 -0.13 0.00 0.00 59.36 58.53 2ctn h GLU 59 Cb 1.62 0.20 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2ctn h GLU 59 CO 0.11 1.28 0.09 1.98 -0.73 0.00 0.00 179.01 181.74 2ctn h MET 60 N 0.32 0.32 0.23 1.92 4.05 0.25 -3.01 114.93 119.01 2ctn h MET 60 Ca -0.13 -0.05 -0.01 0.00 -0.28 0.00 0.00 59.70 59.23 2ctn h MET 60 Cb 1.72 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.46 2ctn h MET 60 CO 0.20 0.36 -0.11 0.82 0.23 0.00 0.00 176.91 178.41 2ctn h ILE 61 N 0.20 0.80 -1.48 1.77 2.04 -1.62 -2.14 117.51 117.08 2ctn h ILE 61 Ca 0.07 -0.14 0.45 0.00 1.00 0.00 0.00 64.86 66.25 2ctn h ILE 61 Cb 0.16 0.88 -0.10 0.00 -0.74 0.00 0.00 36.82 37.02 2ctn h ILE 61 CO -0.01 0.03 1.01 0.44 0.00 0.00 0.00 178.15 179.62 2ctn h ASP 62 N -0.38 0.15 0.03 1.72 5.19 -1.42 1.96 116.42 123.68 2ctn h ASP 62 Ca -0.03 0.08 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 2ctn h ASP 62 Cb 0.29 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2ctn h ASP 62 CO 0.05 -0.10 -0.02 -0.08 -3.12 0.00 0.00 179.24 175.98 2ctn h GLU 63 N 0.06 -0.04 0.00 3.56 4.81 -1.27 -3.31 114.58 118.39 2ctn h GLU 63 Ca 0.81 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 60.04 2ctn h GLU 63 Cb 2.83 0.01 0.00 0.00 0.63 0.00 0.00 28.75 32.22 2ctn h GLU 63 CO -0.25 -0.03 0.00 -0.39 -0.73 0.00 0.00 179.01 177.62 2ctn h VAL 64 N -0.58 0.00 -3.13 0.32 -1.51 -0.81 -3.41 116.25 107.13 2ctn h VAL 64 Ca -0.00 -0.10 -0.54 0.00 -1.23 0.00 0.00 66.70 64.82 2ctn h VAL 64 Cb 0.03 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.09 2ctn h VAL 64 CO 0.01 0.00 0.64 -0.62 -1.23 0.00 0.00 177.57 176.37 2ctn s ASP 65 N -4.77 7.06 0.00 4.19 -1.08 0.66 -4.89 116.67 117.83 2ctn s ASP 65 Ca -0.02 1.92 0.31 0.00 -0.52 0.00 0.00 52.55 54.23 2ctn s ASP 65 Cb 0.10 -2.57 1.64 0.00 -1.46 0.00 0.00 42.92 40.63 2ctn s ASP 65 CO 0.36 -0.53 2.09 -0.62 0.52 0.00 0.00 175.17 176.98 2ctn n GLU 66 N 4.63 0.95 0.00 4.34 1.02 -1.26 -3.57 120.64 126.75 2ctn n GLU 66 Ca 0.10 -0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 2ctn n GLU 66 Cb 0.46 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.39 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctn n ASP 67 N -0.88 0.33 -3.90 1.62 5.68 -1.26 -5.03 116.55 113.11 2ctn n ASP 67 Ca 0.20 -1.11 -0.37 0.00 -0.50 0.00 0.00 54.79 53.02 2ctn n ASP 67 Cb 0.19 0.00 0.02 0.00 -1.14 0.00 0.00 41.12 40.19 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 68 N -0.05 -0.80 0.17 6.12 0.00 -1.23 -4.86 105.19 104.53 2ctn n GLY 68 Ca 0.00 0.36 0.04 0.00 0.00 0.00 0.00 46.02 46.42 2ctn n GLY 68 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 69 N -2.51 1.01 0.00 1.61 3.41 -1.26 -4.97 113.62 110.91 2ctn n SER 69 Ca -0.13 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.47 2ctn n SER 69 Cb 0.60 0.53 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2ctn n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2ctn n GLY 70 N 0.86 1.18 3.83 5.00 0.00 -1.26 -4.99 105.19 109.80 2ctn n GLY 70 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 2ctn n GLY 70 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2ctn s THR 71 N -3.60 4.61 -0.33 2.61 -4.23 -1.26 -0.38 115.64 113.06 2ctn s THR 71 Ca 0.00 -1.10 0.01 0.00 -1.18 0.00 0.00 61.69 59.41 2ctn s THR 71 Cb 0.00 -3.39 0.14 0.00 1.34 0.00 0.00 72.50 70.59 2ctn s THR 71 CO 0.00 -0.17 0.30 -0.69 -0.54 0.00 0.00 174.62 173.52 2ctn s VAL 72 N -1.85 -0.29 0.00 2.29 1.01 -0.63 -4.86 120.40 116.08 2ctn s VAL 72 Ca 0.32 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.46 2ctn s VAL 72 Cb -0.10 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.40 2ctn s VAL 72 CO 0.25 -0.59 0.00 -0.67 0.00 0.00 0.00 175.10 174.08 2ctn n ASP 73 N 4.75 0.00 -3.22 3.32 -0.08 -1.26 -2.21 116.55 117.84 2ctn n ASP 73 Ca 0.04 0.00 -0.22 0.00 -1.51 0.00 0.00 54.79 53.10 2ctn n ASP 73 Cb 0.44 0.00 -0.02 0.00 2.34 0.00 0.00 41.12 43.88 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2ctn n PHE 74 N 0.00 1.17 0.00 -0.67 7.35 -1.26 -3.34 117.46 120.70 2ctn n PHE 74 Ca 0.00 -1.65 0.00 0.00 -0.76 0.00 0.00 57.45 55.04 2ctn n PHE 74 Cb 0.00 -1.47 0.00 0.00 0.35 0.00 0.00 39.48 38.36 2ctn n PHE 74 CO 0.00 0.00 0.00 -0.25 -0.76 0.00 0.00 176.76 175.75 2ctn n ASP 75 N 4.98 0.00 0.18 -2.13 8.00 -1.26 -4.91 116.55 121.41 2ctn n ASP 75 Ca 0.38 0.00 0.17 0.00 0.71 0.00 0.00 54.79 56.05 2ctn n ASP 75 Cb 0.16 0.23 0.80 0.00 -0.02 0.00 0.00 41.12 42.29 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2ctn h GLU 76 N 0.00 0.00 0.76 -1.24 5.08 -1.88 -2.36 114.58 114.95 2ctn h GLU 76 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2ctn h GLU 76 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2ctn h GLU 76 CO 0.00 0.00 -0.36 0.35 -1.00 0.00 0.00 179.01 178.00 2ctn h PHE 77 N 0.00 -0.94 0.00 4.33 3.57 -1.79 0.27 116.94 122.37 2ctn h PHE 77 Ca 0.10 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2ctn h PHE 77 Cb 0.55 0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.60 2ctn h PHE 77 CO 0.00 -0.59 0.22 -0.07 -2.23 0.00 0.00 178.31 175.64 2ctn h LEU 78 N -1.16 0.00 0.00 0.59 3.38 -1.72 0.71 115.31 117.10 2ctn h LEU 78 Ca -0.10 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2ctn h LEU 78 Cb 0.78 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2ctn h LEU 78 CO 0.17 0.00 -0.56 0.58 0.09 0.00 0.00 178.44 178.72 2ctn h VAL 79 N 0.00 0.13 0.00 1.22 2.07 -0.92 -3.23 116.25 115.53 2ctn h VAL 79 Ca 0.00 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.31 2ctn h VAL 79 Cb 0.44 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 32.06 2ctn h VAL 79 CO 0.00 0.07 0.00 0.80 0.02 0.00 0.00 177.57 178.46 2ctn n MET 80 N -2.93 0.00 -0.04 1.57 0.00 0.25 -3.01 117.12 112.96 2ctn n MET 80 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 57.70 57.86 2ctn n MET 80 Cb 0.58 -1.51 -0.13 0.00 0.00 0.00 0.00 33.22 32.17 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 175.97 174.64 2ctn n MET 81 N -1.51 0.85 -0.15 2.12 2.81 -1.21 -4.06 117.12 115.96 2ctn n MET 81 Ca 0.05 -0.10 -0.12 0.00 -1.81 0.00 0.00 57.70 55.72 2ctn n MET 81 Cb 0.26 -1.42 -0.01 0.00 -0.71 0.00 0.00 33.22 31.35 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn h VAL 82 N 0.00 1.27 -0.01 2.03 2.07 -1.56 0.60 116.25 120.64 2ctn h VAL 82 Ca -0.17 -1.42 -0.13 0.00 0.82 0.00 0.00 66.70 65.80 2ctn h VAL 82 Cb 1.27 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.20 2ctn h VAL 82 CO 0.01 0.49 -0.60 -0.09 0.02 0.00 0.00 177.57 177.39 2ctn h ARG 83 N 0.83 0.04 0.00 1.57 2.43 -1.77 -3.16 114.38 114.33 2ctn h ARG 83 Ca 0.10 -0.03 -0.24 0.00 -0.81 0.00 0.00 59.98 59.00 2ctn h ARG 83 Cb 0.83 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.35 2ctn h ARG 83 CO 0.07 0.63 -1.44 0.77 -1.51 0.00 0.00 179.97 178.49 2ctn h SER 84 N 0.03 0.00 -0.53 -3.80 0.02 -1.66 -3.38 113.55 104.23 2ctn h SER 84 Ca -0.01 0.00 -0.63 0.00 -0.84 0.00 0.00 61.79 60.31 2ctn h SER 84 Cb 1.07 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2ctn h SER 84 CO 0.08 0.90 2.58 0.23 -1.14 0.00 0.00 176.83 179.48 2ctn n MET 85 N -3.09 3.76 0.00 3.45 2.81 0.21 -4.80 117.12 119.45 2ctn n MET 85 Ca -0.11 -2.57 0.00 0.00 -1.81 0.00 0.00 57.70 53.21 2ctn n MET 85 Cb 0.98 -2.60 0.00 0.00 -0.71 0.00 0.00 33.22 30.89 2ctn n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ctn n LYS 86 N 2.53 0.00 0.00 0.03 4.81 -1.26 -4.89 118.16 119.37 2ctn n LYS 86 Ca 0.66 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 2ctn n LYS 86 Cb 0.33 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.38 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 2ctn n ASP 87 N 0.00 0.00 -2.46 3.14 -0.08 -1.26 -1.77 116.55 114.12 2ctn n ASP 87 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 2ctn n ASP 87 Cb 0.00 0.00 0.02 0.00 2.34 0.00 0.00 41.12 43.48 2ctn n ASP 87 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2ctn n ASP 88 N 2.58 5.76 0.00 1.67 8.00 -1.26 -5.27 116.55 128.03 2ctn n ASP 88 Ca 0.00 -3.76 0.00 0.00 0.71 0.00 0.00 54.79 51.74 2ctn n ASP 88 Cb 0.00 -0.63 0.00 0.00 -0.02 0.00 0.00 41.12 40.47 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57