#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ctn s ASP 3 N 0.00 4.70 -0.17 0.00 1.01 -1.26 -4.92 116.67 116.03 2ctn s ASP 3 Ca 0.00 -2.64 -0.13 0.00 0.71 0.00 0.00 52.55 50.49 2ctn s ASP 3 Cb 0.00 -1.69 -0.07 0.00 1.01 0.00 0.00 42.92 42.17 2ctn s ASP 3 CO 0.00 -0.33 -0.28 -0.38 0.21 0.00 0.00 175.17 174.39 2ctn n ILE 4 N 3.65 1.34 -0.09 0.77 5.41 -1.26 -4.47 119.36 124.71 2ctn n ILE 4 Ca 0.04 -0.05 -0.17 0.00 1.00 0.00 0.00 62.75 63.57 2ctn n ILE 4 Cb 0.37 -2.01 -0.10 0.00 -0.71 0.00 0.00 39.64 37.19 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 -0.80 0.00 -0.87 1.39 0.05 -1.94 -3.33 116.97 111.48 2ctn h TYR 5 Ca -0.27 0.00 0.23 0.00 0.05 0.00 0.00 58.73 58.73 2ctn h TYR 5 Cb 1.13 0.00 -0.14 0.00 1.01 0.00 0.00 36.73 38.73 2ctn h TYR 5 CO -0.21 1.15 0.17 -0.22 -1.05 0.00 0.00 178.16 178.00 2ctn h LYS 6 N -1.00 0.16 -0.99 4.88 3.11 -1.93 0.60 116.57 121.40 2ctn h LYS 6 Ca -0.21 -0.01 0.07 0.00 -2.81 0.00 0.00 60.65 57.70 2ctn h LYS 6 Cb 1.09 -0.04 -0.07 0.00 -1.00 0.00 0.00 32.23 32.21 2ctn h LYS 6 CO -0.13 0.10 0.64 0.00 -2.81 0.00 0.00 179.45 177.25 2ctn h ALA 7 N 1.79 1.44 0.22 5.00 0.00 -1.78 -1.74 119.26 124.19 2ctn h ALA 7 Ca 0.53 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2ctn h ALA 7 Cb 1.06 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2ctn h ALA 7 CO -0.69 0.39 -0.11 0.00 0.00 0.00 0.00 179.25 178.85 2ctn h ALA 8 N 1.48 -0.30 -0.09 0.00 0.00 0.04 -2.91 119.26 117.48 2ctn h ALA 8 Ca 0.44 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 55.16 2ctn h ALA 8 Cb 0.23 0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2ctn h ALA 8 CO -0.18 -0.41 0.42 0.28 0.00 0.00 0.00 179.25 179.36 2ctn h VAL 9 N -0.81 0.07 -0.16 0.00 2.07 -0.93 0.13 116.25 116.62 2ctn h VAL 9 Ca -0.03 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.31 2ctn h VAL 9 Cb 0.51 0.60 0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2ctn h VAL 9 CO 0.05 0.00 -0.60 -0.33 0.02 0.00 0.00 177.57 176.71 2ctn h GLU 10 N 0.00 0.69 -0.64 1.57 5.08 -1.12 -3.02 114.58 117.14 2ctn h GLU 10 Ca 0.04 -0.53 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2ctn h GLU 10 Cb 0.89 0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.24 2ctn h GLU 10 CO -0.00 1.14 0.00 1.04 -1.00 0.00 0.00 179.01 180.19 2ctn n GLN 11 N -4.10 2.36 -1.55 2.33 6.02 0.41 -4.93 117.38 117.93 2ctn n GLN 11 Ca -0.07 -1.31 -0.35 0.00 -0.01 0.00 0.00 57.00 55.27 2ctn n GLN 11 Cb 0.65 -1.62 0.08 0.00 1.02 0.00 0.00 30.24 30.37 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 -1.13 3.39 0.24 1.08 1.43 -1.03 -4.95 118.68 117.71 2ctn s LEU 12 Ca 0.23 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.41 2ctn s LEU 12 Cb 0.16 -4.59 -0.09 0.00 0.03 0.00 0.00 46.19 41.70 2ctn s LEU 12 CO 0.10 -2.13 1.11 0.42 0.23 0.00 0.00 176.35 176.08 2ctn s THR 13 N -1.89 3.60 0.56 5.49 -4.23 -1.26 -4.88 115.64 113.04 2ctn s THR 13 Ca 0.75 1.51 0.37 0.00 -1.18 0.00 0.00 61.69 63.15 2ctn s THR 13 Cb -0.30 -3.96 0.55 0.00 1.34 0.00 0.00 72.50 70.12 2ctn s THR 13 CO 0.43 0.32 1.72 -0.08 -0.54 0.00 0.00 174.62 176.47 2ctn h GLU 14 N 4.32 0.00 0.00 3.99 4.81 -1.98 1.14 114.58 126.86 2ctn h GLU 14 Ca -0.46 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 58.71 2ctn h GLU 14 Cb 1.21 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.58 2ctn h GLU 14 CO 0.69 0.00 -0.29 1.49 -0.73 0.00 0.00 179.01 180.18 2ctn h GLU 15 N 0.00 0.00 0.00 1.92 4.22 -2.00 -1.86 114.58 116.85 2ctn h GLU 15 Ca 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 60.02 2ctn h GLU 15 Cb 2.47 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 31.72 2ctn h GLU 15 CO -0.01 0.29 -0.00 1.96 -2.18 0.00 0.00 179.01 179.07 2ctn h GLN 16 N 0.00 0.00 -0.87 1.92 1.08 0.99 -3.30 115.11 114.94 2ctn h GLN 16 Ca -0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2ctn h GLN 16 Cb 0.65 0.00 -0.04 0.00 -0.05 0.00 0.00 27.48 28.04 2ctn h GLN 16 CO 0.04 0.97 0.51 -0.22 -0.95 0.00 0.00 178.83 179.18 2ctn h LYS 17 N -1.00 1.18 -0.17 1.46 1.63 -1.52 -2.24 116.57 115.92 2ctn h LYS 17 Ca -0.00 -0.11 0.04 0.00 -0.85 0.00 0.00 60.65 59.73 2ctn h LYS 17 Cb 0.97 -0.25 -0.07 0.00 -0.60 0.00 0.00 32.23 32.29 2ctn h LYS 17 CO -0.00 0.83 -0.46 -0.91 -3.45 0.00 0.00 179.45 175.46 2ctn h ASN 18 N 1.20 -1.45 -0.62 4.20 2.35 -1.45 1.26 115.58 121.07 2ctn h ASN 18 Ca 0.31 0.19 -0.02 0.00 -0.55 0.00 0.00 56.30 56.23 2ctn h ASN 18 Cb -0.04 0.59 -0.03 0.00 0.05 0.00 0.00 38.32 38.89 2ctn h ASN 18 CO -0.06 -0.44 0.32 -0.08 -1.65 0.00 0.00 177.43 175.53 2ctn h GLU 19 N -0.50 0.88 0.36 0.81 4.81 -1.59 0.45 114.58 119.80 2ctn h GLU 19 Ca 0.07 -0.11 -0.02 0.00 -0.13 0.00 0.00 59.36 59.17 2ctn h GLU 19 Cb 0.64 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.86 2ctn h GLU 19 CO -0.43 0.68 -0.17 0.74 -0.73 0.00 0.00 179.01 179.10 2ctn h PHE 20 N 0.85 -0.45 -0.39 0.92 0.04 -0.69 0.97 116.94 118.19 2ctn h PHE 20 Ca 0.22 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.92 2ctn h PHE 20 Cb 0.08 0.15 -0.02 0.00 2.20 0.00 0.00 35.95 38.35 2ctn h PHE 20 CO -0.00 -0.14 0.02 0.87 -0.60 0.00 0.00 178.31 178.46 2ctn h LYS 21 N -0.74 0.61 0.27 1.51 1.79 0.16 -1.92 116.57 118.25 2ctn h LYS 21 Ca -0.05 -0.13 -0.01 0.00 -2.18 0.00 0.00 60.65 58.27 2ctn h LYS 21 Cb 0.51 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2ctn h LYS 21 CO 0.08 0.62 -0.13 0.00 -1.08 0.00 0.00 179.45 178.94 2ctn h ALA 22 N 1.44 -0.36 -0.36 3.86 0.00 -0.00 -2.79 119.26 121.05 2ctn h ALA 22 Ca 0.13 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.92 2ctn h ALA 22 Cb 0.34 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.20 2ctn h ALA 22 CO 0.01 -0.51 -0.07 0.00 0.00 0.00 0.00 179.25 178.68 2ctn h ALA 23 N -0.19 0.25 -0.57 0.00 0.00 -0.72 -1.01 119.26 117.02 2ctn h ALA 23 Ca -0.04 0.13 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2ctn h ALA 23 Cb 0.50 0.25 -0.11 0.00 0.00 0.00 0.00 17.79 18.43 2ctn h ALA 23 CO 0.06 -0.45 -0.21 0.35 0.00 0.00 0.00 179.25 179.00 2ctn h PHE 24 N 0.02 -0.52 0.00 0.00 3.04 -1.35 1.44 116.94 119.56 2ctn h PHE 24 Ca 0.17 0.06 -0.00 0.00 3.98 0.00 0.00 57.97 62.18 2ctn h PHE 24 Cb 0.26 0.32 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 2ctn h PHE 24 CO -0.31 -0.31 -0.01 -0.44 -2.02 0.00 0.00 178.31 175.23 2ctn h ASP 25 N -0.07 0.00 0.21 0.41 3.32 -1.01 0.44 116.42 119.71 2ctn h ASP 25 Ca 0.27 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.32 2ctn h ASP 25 Cb 0.48 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.03 2ctn h ASP 25 CO -0.63 0.01 -1.19 -0.38 -1.72 0.00 0.00 179.24 175.33 2ctn n ILE 26 N -3.12 0.08 -0.05 0.35 5.41 0.32 -4.09 119.36 118.25 2ctn n ILE 26 Ca -0.01 -0.21 -0.03 0.00 1.00 0.00 0.00 62.75 63.50 2ctn n ILE 26 Cb 0.20 0.42 -0.12 0.00 -0.71 0.00 0.00 39.64 39.43 2ctn n ILE 26 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2ctn n PHE 27 N -1.86 0.00 1.34 1.39 3.72 0.41 -4.33 117.46 118.13 2ctn n PHE 27 Ca 0.02 0.00 0.14 0.00 -0.05 0.00 0.00 57.45 57.56 2ctn n PHE 27 Cb 0.43 -0.62 0.72 0.00 -0.94 0.00 0.00 39.48 39.07 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 -2.40 0.04 -0.20 -4.37 0.31 0.15 -3.63 118.33 108.23 2ctn n VAL 28 Ca -0.18 0.01 0.28 0.00 -0.01 0.00 0.00 64.34 64.44 2ctn n VAL 28 Cb 0.81 -0.52 0.70 0.00 -0.91 0.00 0.00 33.84 33.92 2ctn n VAL 28 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2ctn h LEU 29 N 0.00 0.05 -1.97 7.52 3.38 -1.75 0.40 115.31 122.93 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ctn h LEU 29 Cb 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.05 2ctn h LEU 29 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 2ctn n GLY 30 N -1.70 0.82 0.53 0.83 0.00 -1.24 -5.02 105.19 99.42 2ctn n GLY 30 Ca 0.19 -0.33 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 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 0.57 -0.56 0.00 4.61 0.00 0.14 -4.98 120.51 120.28 2ctn n ALA 31 Ca 0.08 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2ctn n ALA 31 Cb 0.33 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2ctn n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ctn n GLU 32 N -1.39 2.73 -2.73 0.00 0.28 -1.26 -4.86 120.64 113.41 2ctn n GLU 32 Ca 0.01 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 56.96 2ctn n GLU 32 Cb 0.06 -0.94 0.05 0.00 1.43 0.00 0.00 31.44 32.04 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ctn n ASP 33 N -1.94 1.07 -3.36 -1.84 9.92 -1.26 -4.98 116.55 114.17 2ctn n ASP 33 Ca 0.00 -2.42 -0.16 0.00 -0.53 0.00 0.00 54.79 51.67 2ctn n ASP 33 Cb 0.44 -0.33 0.08 0.00 -0.64 0.00 0.00 41.12 40.67 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2ctn n GLY 34 N -0.37 -0.70 3.75 0.44 0.00 -1.26 -5.00 105.19 102.05 2ctn n GLY 34 Ca 0.06 0.30 -0.10 0.00 0.00 0.00 0.00 46.02 46.28 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2ctn s SER 35 N -3.95 0.19 -0.23 1.61 1.04 -1.26 -4.87 113.70 106.22 2ctn s SER 35 Ca 0.19 -1.23 -0.04 0.00 0.48 0.00 0.00 55.95 55.35 2ctn s SER 35 Cb -0.03 0.83 0.09 0.00 0.10 0.00 0.00 66.02 67.01 2ctn s SER 35 CO 0.74 -1.64 0.14 -0.63 0.98 0.00 0.00 173.24 172.82 2ctn s ILE 36 N -2.37 -0.13 0.44 -1.02 1.01 -1.17 -4.61 121.20 113.34 2ctn s ILE 36 Ca 0.18 -0.41 -0.15 0.00 0.00 0.00 0.00 60.65 60.27 2ctn s ILE 36 Cb -0.04 -0.77 -0.08 0.00 0.01 0.00 0.00 42.46 41.57 2ctn s ILE 36 CO 0.13 -0.46 0.87 -0.94 0.00 0.00 0.00 174.94 174.54 2ctn s SER 37 N 2.16 6.65 0.60 3.58 1.04 -1.26 -0.81 113.70 125.66 2ctn s SER 37 Ca 0.06 1.39 0.30 0.00 0.48 0.00 0.00 55.95 58.18 2ctn s SER 37 Cb -0.16 -2.43 1.14 0.00 0.10 0.00 0.00 66.02 64.68 2ctn s SER 37 CO -0.22 -0.44 1.45 0.00 0.98 0.00 0.00 173.24 175.02 2ctn h THR 38 N 1.26 0.07 -0.01 2.02 1.03 -1.80 2.51 112.91 117.99 2ctn h THR 38 Ca -0.47 0.00 -0.20 0.00 -0.01 0.00 0.00 66.41 65.73 2ctn h THR 38 Cb 1.18 0.12 -0.01 0.00 -1.07 0.00 0.00 68.15 68.38 2ctn h THR 38 CO 0.63 0.00 -0.85 0.11 -0.01 0.00 0.00 175.52 175.39 2ctn h LYS 39 N 0.00 0.27 0.00 0.00 1.79 -1.90 -2.10 116.57 114.63 2ctn h LYS 39 Ca 0.50 -0.27 -0.15 0.00 -2.18 0.00 0.00 60.65 58.55 2ctn h LYS 39 Cb 2.72 0.07 -0.03 0.00 -1.58 0.00 0.00 32.23 33.41 2ctn h LYS 39 CO -0.01 0.97 -1.86 -1.91 -1.08 0.00 0.00 179.45 175.57 2ctn n GLU 40 N -3.71 1.18 0.06 3.15 4.07 0.56 -4.47 120.64 121.49 2ctn n GLU 40 Ca -0.04 -0.06 -0.06 0.00 -0.06 0.00 0.00 57.16 56.93 2ctn n GLU 40 Cb 0.79 -1.36 -0.11 0.00 -0.06 0.00 0.00 31.44 30.69 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ctn h LEU 41 N 0.00 0.00 -0.63 4.31 7.12 0.33 -3.33 115.31 123.11 2ctn h LEU 41 Ca -0.23 0.00 0.12 0.00 0.13 0.00 0.00 57.88 57.90 2ctn h LEU 41 Cb 1.39 0.00 -0.12 0.00 -0.53 0.00 0.00 40.66 41.40 2ctn h LEU 41 CO 0.01 0.96 -0.28 1.23 -0.13 0.00 0.00 178.44 180.24 2ctn h GLY 42 N 3.06 0.11 -0.42 3.75 0.00 -1.50 0.14 103.07 108.21 2ctn h GLY 42 Ca -0.02 0.36 0.19 0.00 0.00 0.00 0.00 47.33 47.86 2ctn h GLY 42 CO 0.12 -0.23 0.03 0.50 0.00 0.00 0.00 176.54 176.96 2ctn h LYS 43 N -0.10 0.11 0.27 4.80 1.79 -1.84 -0.61 116.57 121.00 2ctn h LYS 43 Ca 0.27 -0.01 -0.01 0.00 -2.18 0.00 0.00 60.65 58.73 2ctn h LYS 43 Cb 0.54 -0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.16 2ctn h LYS 43 CO -0.69 0.07 -0.19 0.28 -1.08 0.00 0.00 179.45 177.84 2ctn h VAL 44 N 0.11 0.61 -0.97 0.50 2.07 -0.94 -2.51 116.25 115.11 2ctn h VAL 44 Ca 0.44 0.00 0.29 0.00 0.82 0.00 0.00 66.70 68.25 2ctn h VAL 44 Cb 0.80 0.61 -0.18 0.00 -1.52 0.00 0.00 31.29 31.00 2ctn h VAL 44 CO -0.69 0.00 0.12 0.24 0.02 0.00 0.00 177.57 177.26 2ctn h MET 45 N -0.45 0.03 0.00 1.57 2.86 -0.62 2.06 114.93 120.38 2ctn h MET 45 Ca -0.02 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2ctn h MET 45 Cb 0.39 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.04 2ctn h MET 45 CO 0.01 0.02 -0.07 -0.09 1.06 0.00 0.00 176.91 177.84 2ctn h ARG 46 N 0.03 0.00 0.00 1.72 2.43 -1.21 -2.63 114.38 114.72 2ctn h ARG 46 Ca 0.63 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.80 2ctn h ARG 46 Cb 1.35 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.90 2ctn h ARG 46 CO -0.87 0.07 0.00 0.00 -1.51 0.00 0.00 179.97 177.66 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 0.37 -3.20 114.93 112.30 2ctn h MET 47 Ca -0.00 0.00 -0.22 0.00 -0.00 0.00 0.00 59.70 59.48 2ctn h MET 47 Cb 0.64 0.00 -0.04 0.00 -0.00 0.00 0.00 31.60 32.20 2ctn h MET 47 CO 0.01 0.00 -1.51 -0.07 -0.00 0.00 0.00 176.91 175.34 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.01 -3.49 115.31 114.09 2ctn h LEU 48 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ctn h LEU 48 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ctn h LEU 48 CO 0.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.88 2ctn n GLY 49 N 1.45 0.87 0.34 0.83 0.00 -1.13 -5.04 105.19 102.51 2ctn n GLY 49 Ca -0.12 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.13 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 0.49 -4.05 1.61 6.02 -1.22 -5.00 117.38 115.22 2ctn n GLN 50 Ca 0.00 -1.60 -0.29 0.00 -0.01 0.00 0.00 57.00 55.10 2ctn n GLN 50 Cb 0.00 -0.88 -0.07 0.00 1.02 0.00 0.00 30.24 30.31 2ctn n GLN 50 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2ctn n ASN 51 N -0.55 0.07 -4.64 1.08 5.15 -1.26 -4.79 115.26 110.32 2ctn n ASN 51 Ca 0.06 -1.10 -0.43 0.00 -0.60 0.00 0.00 54.58 52.51 2ctn n ASN 51 Cb 0.68 -1.36 -0.02 0.00 -0.53 0.00 0.00 39.78 38.55 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2ctn s PRO 52 N -6.83 3.93 0.45 1.20 0.04 -1.26 -5.01 135.00 127.52 2ctn s PRO 52 Ca 0.07 1.51 0.04 0.00 0.04 0.00 0.00 61.00 62.66 2ctn s PRO 52 Cb -0.04 -3.92 0.01 0.00 0.04 0.00 0.00 34.50 30.58 2ctn s PRO 52 CO 0.85 -1.11 0.63 0.95 0.04 0.00 0.00 177.00 178.37 2ctn s THR 53 N 4.52 3.38 0.20 1.26 -4.23 -1.26 -4.87 115.64 114.64 2ctn s THR 53 Ca 0.62 -0.78 0.16 0.00 -1.18 0.00 0.00 61.69 60.52 2ctn s THR 53 Cb -0.21 -3.21 0.09 0.00 1.34 0.00 0.00 72.50 70.51 2ctn s THR 53 CO 0.24 -0.11 1.70 1.55 -0.54 0.00 0.00 174.62 177.46 2ctn h PRO 54 N 0.47 0.00 0.05 3.99 0.13 -2.00 -1.41 132.00 133.23 2ctn h PRO 54 Ca -0.43 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.43 2ctn h PRO 54 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2ctn h PRO 54 CO 0.52 0.44 -1.35 0.93 -0.23 0.00 0.00 178.00 178.31 2ctn h GLU 55 N 0.00 0.11 0.06 0.86 5.08 -2.01 -3.34 114.58 115.34 2ctn h GLU 55 Ca -0.00 -0.19 -0.27 0.00 -1.00 0.00 0.00 59.36 57.89 2ctn h GLU 55 Cb 0.94 0.07 0.02 0.00 0.50 0.00 0.00 28.75 30.29 2ctn h GLU 55 CO 0.06 0.96 -1.12 1.49 -1.00 0.00 0.00 179.01 179.40 2ctn h GLU 56 N 0.03 0.57 -0.03 2.33 4.81 -1.93 -3.25 114.58 117.11 2ctn h GLU 56 Ca -0.16 -0.69 0.00 0.00 -0.13 0.00 0.00 59.36 58.38 2ctn h GLU 56 Cb 1.92 0.22 -0.00 0.00 0.63 0.00 0.00 28.75 31.51 2ctn h GLU 56 CO 0.14 1.29 -0.02 -0.07 -0.73 0.00 0.00 179.01 179.61 2ctn h LEU 57 N 0.29 -0.08 -0.96 1.64 3.38 -1.37 0.94 115.31 119.14 2ctn h LEU 57 Ca -0.14 0.01 0.26 0.00 0.09 0.00 0.00 57.88 58.10 2ctn h LEU 57 Cb 1.78 0.04 -0.13 0.00 0.09 0.00 0.00 40.66 42.43 2ctn h LEU 57 CO 0.21 -0.01 0.49 -0.61 0.09 0.00 0.00 178.44 178.60 2ctn h GLN 58 N -0.01 0.41 0.20 1.13 5.75 -1.71 0.35 115.11 121.23 2ctn h GLN 58 Ca 0.00 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 2ctn h GLN 58 Cb 0.02 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.48 2ctn h GLN 58 CO -0.03 0.27 -0.10 1.49 -2.65 0.00 0.00 178.83 177.81 2ctn h GLU 59 N 0.42 -0.26 -0.19 1.69 4.81 -0.54 0.23 114.58 120.74 2ctn h GLU 59 Ca 0.63 0.02 0.05 0.00 -0.13 0.00 0.00 59.36 59.94 2ctn h GLU 59 Cb 1.28 0.06 -0.07 0.00 0.63 0.00 0.00 28.75 30.65 2ctn h GLU 59 CO -0.54 -0.07 -0.30 1.98 -0.73 0.00 0.00 179.01 179.34 2ctn h MET 60 N -0.40 -0.33 -0.64 1.92 4.05 0.28 -0.23 114.93 119.58 2ctn h MET 60 Ca -0.03 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2ctn h MET 60 Cb 0.31 0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2ctn h MET 60 CO 0.05 -0.22 0.33 0.82 0.23 0.00 0.00 176.91 178.12 2ctn h ILE 61 N -0.34 1.20 -0.95 1.77 5.03 -1.21 0.11 117.51 123.12 2ctn h ILE 61 Ca 0.12 -0.53 0.29 0.00 -0.12 0.00 0.00 64.86 64.62 2ctn h ILE 61 Cb 0.52 0.35 -0.15 0.00 -3.03 0.00 0.00 36.82 34.52 2ctn h ILE 61 CO -0.39 0.23 0.40 -0.78 -0.68 0.00 0.00 178.15 176.93 2ctn h ASP 62 N 0.90 0.23 0.00 1.72 3.58 0.13 0.68 116.42 123.67 2ctn h ASP 62 Ca 0.23 0.20 -0.27 0.00 0.42 0.00 0.00 57.03 57.61 2ctn h ASP 62 Cb 0.05 0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.28 2ctn h ASP 62 CO -0.03 -0.17 -1.80 -0.62 -2.88 0.00 0.00 179.24 173.73 2ctn n GLU 63 N -5.16 0.56 -0.00 0.28 1.02 -0.92 -4.55 120.64 111.87 2ctn n GLU 63 Ca 0.27 0.29 -0.10 0.00 -0.02 0.00 0.00 57.16 57.61 2ctn n GLU 63 Cb 0.86 -1.51 -0.04 0.00 -0.02 0.00 0.00 31.44 30.74 2ctn n GLU 63 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 2ctn h VAL 64 N -1.00 0.73 0.00 2.62 2.07 -0.67 -2.83 116.25 117.16 2ctn h VAL 64 Ca -0.40 0.00 -0.22 0.00 0.82 0.00 0.00 66.70 66.90 2ctn h VAL 64 Cb 1.32 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 2ctn h VAL 64 CO -0.24 0.00 1.45 -0.67 0.02 0.00 0.00 177.57 178.13 2ctn n ASP 65 N -5.24 3.41 0.18 0.57 -0.08 0.24 -4.56 116.55 111.08 2ctn n ASP 65 Ca -0.04 -2.14 0.15 0.00 -1.51 0.00 0.00 54.79 51.25 2ctn n ASP 65 Cb 0.16 -0.86 0.53 0.00 2.34 0.00 0.00 41.12 43.29 2ctn n ASP 65 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 66 N 5.84 0.00 -0.00 -0.67 5.08 -1.69 1.72 114.58 124.86 2ctn h GLU 66 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 2ctn h GLU 66 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 2ctn h GLU 66 CO 0.98 0.00 -0.16 -0.40 -1.00 0.00 0.00 179.01 178.42 2ctn n ASP 67 N -3.04 0.25 -3.30 1.42 5.68 -1.26 -4.95 116.55 111.36 2ctn n ASP 67 Ca 0.05 -0.01 -0.16 0.00 -0.50 0.00 0.00 54.79 54.18 2ctn n ASP 67 Cb 0.79 -0.18 0.07 0.00 -1.14 0.00 0.00 41.12 40.67 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 1.43 -0.97 0.00 6.12 0.00 0.59 -4.93 105.19 107.43 2ctn n GLY 68 Ca 0.09 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -3.20 1.10 -1.72 1.61 3.41 -1.26 -4.99 113.62 108.57 2ctn n SER 69 Ca -0.12 -0.30 -0.21 0.00 -0.26 0.00 0.00 58.87 57.98 2ctn n SER 69 Cb 0.63 0.82 -0.07 0.00 -0.26 0.00 0.00 64.21 65.33 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 1.15 1.53 3.49 5.00 0.00 -1.26 -4.96 105.19 110.14 2ctn n GLY 70 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.81 2.66 -0.32 2.61 -4.23 -1.26 -2.25 115.64 110.03 2ctn s THR 71 Ca 0.00 -2.13 -0.01 0.00 -1.18 0.00 0.00 61.69 58.38 2ctn s THR 71 Cb 0.00 -2.35 0.13 0.00 1.34 0.00 0.00 72.50 71.62 2ctn s THR 71 CO 0.00 -0.27 0.23 -0.69 -0.54 0.00 0.00 174.62 173.35 2ctn s VAL 72 N -2.11 -0.10 0.00 2.29 1.01 0.01 -4.92 120.40 116.58 2ctn s VAL 72 Ca 0.27 -1.08 0.00 0.00 0.00 0.00 0.00 61.98 61.16 2ctn s VAL 72 Cb -0.07 -0.97 0.00 0.00 0.00 0.00 0.00 36.38 35.34 2ctn s VAL 72 CO 0.14 -0.75 0.00 -0.67 0.00 0.00 0.00 175.10 173.82 2ctn n ASP 73 N 4.67 0.00 -3.12 3.32 -0.08 -1.26 -3.06 116.55 117.01 2ctn n ASP 73 Ca 0.04 -0.03 -0.17 0.00 -1.51 0.00 0.00 54.79 53.12 2ctn n ASP 73 Cb 0.42 0.00 -0.01 0.00 2.34 0.00 0.00 41.12 43.86 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 -0.04 1.07 0.00 -0.67 7.35 -1.26 -3.29 117.46 120.62 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 -1.45 0.00 0.00 0.35 0.00 0.00 39.48 38.38 2ctn n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ctn n ASP 75 N 4.33 0.00 0.30 -2.13 2.03 -1.26 -4.91 116.55 114.90 2ctn n ASP 75 Ca 0.35 0.00 0.16 0.00 0.52 0.00 0.00 54.79 55.82 2ctn n ASP 75 Cb 0.11 0.30 0.92 0.00 -0.72 0.00 0.00 41.12 41.73 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 -1.92 0.00 0.00 177.20 174.95 2ctn h GLU 76 N 0.00 0.00 -0.60 -0.67 5.08 -1.91 -2.16 114.58 114.33 2ctn h GLU 76 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ctn h GLU 76 Cb 0.00 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ctn h GLU 76 CO 0.00 0.04 0.34 0.35 -1.00 0.00 0.00 179.01 178.74 2ctn h PHE 77 N 0.00 0.81 0.00 4.33 3.57 -1.82 -1.97 116.94 121.86 2ctn h PHE 77 Ca -0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 2ctn h PHE 77 Cb 0.12 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.60 2ctn h PHE 77 CO 0.00 0.57 -0.21 -0.07 -2.23 0.00 0.00 178.31 176.37 2ctn h LEU 78 N 0.81 0.00 -0.62 0.59 3.38 -1.69 -3.21 115.31 114.56 2ctn h LEU 78 Ca 0.21 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.05 2ctn h LEU 78 Cb 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ctn h LEU 78 CO -0.04 0.01 -0.49 0.58 0.09 0.00 0.00 178.44 178.60 2ctn h VAL 79 N 0.00 1.02 0.35 1.22 2.07 -0.92 -3.13 116.25 116.86 2ctn h VAL 79 Ca 0.00 -1.92 -0.02 0.00 0.82 0.00 0.00 66.70 65.58 2ctn h VAL 79 Cb 0.88 2.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 2ctn h VAL 79 CO 0.00 0.48 -0.17 -0.03 0.02 0.00 0.00 177.57 177.87 2ctn h MET 80 N 0.00 -0.45 -1.02 1.57 -1.53 -1.38 -3.15 114.93 108.96 2ctn h MET 80 Ca -0.00 0.03 0.25 0.00 -3.44 0.00 0.00 59.70 56.54 2ctn h MET 80 Cb 1.11 0.10 -0.11 0.00 -0.55 0.00 0.00 31.60 32.16 2ctn h MET 80 CO 0.06 -0.30 0.64 0.00 0.14 0.00 0.00 176.91 177.45 2ctn h MET 81 N -0.63 0.49 -0.36 0.39 3.00 -1.70 0.58 114.93 116.70 2ctn h MET 81 Ca -0.05 -0.03 0.04 0.00 0.00 0.00 0.00 59.70 59.66 2ctn h MET 81 Cb 0.36 -0.11 -0.06 0.00 0.00 0.00 0.00 31.60 31.79 2ctn h MET 81 CO 0.08 0.32 -0.38 0.28 0.00 0.00 0.00 176.91 177.21 2ctn h VAL 82 N 0.50 0.00 0.00 -0.10 2.07 -1.50 1.05 116.25 118.27 2ctn h VAL 82 Ca 0.61 0.00 0.00 0.00 0.82 0.00 0.00 66.70 68.13 2ctn h VAL 82 Cb 1.33 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2ctn h VAL 82 CO -0.37 0.00 0.00 0.54 0.02 0.00 0.00 177.57 177.76 2ctn n ARG 83 N -4.51 0.18 -2.10 1.57 1.74 -0.69 -3.22 116.66 109.63 2ctn n ARG 83 Ca -0.02 0.30 -0.27 0.00 -0.77 0.00 0.00 57.85 57.09 2ctn n ARG 83 Cb 0.22 -1.78 0.02 0.00 -1.02 0.00 0.00 32.46 29.90 2ctn n ARG 83 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 2ctn n SER 84 N -2.11 5.35 0.00 0.55 7.64 0.17 -4.87 113.62 120.36 2ctn n SER 84 Ca 0.04 -3.75 0.00 0.00 1.01 0.00 0.00 58.87 56.17 2ctn n SER 84 Cb 0.30 -0.51 0.00 0.00 -1.01 0.00 0.00 64.21 62.99 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ctn n MET 85 N -0.64 0.00 0.00 1.43 2.81 0.31 -4.67 117.12 116.36 2ctn n MET 85 Ca 0.45 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 2ctn n MET 85 Cb 0.77 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.28 2ctn n MET 85 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 2ctn n LYS 86 N -0.05 0.00 -0.34 0.03 2.85 -1.26 -4.94 118.16 114.44 2ctn n LYS 86 Ca 0.00 0.00 0.36 0.00 -1.05 0.00 0.00 58.31 57.62 2ctn n LYS 86 Cb 0.00 0.00 0.60 0.00 -0.65 0.00 0.00 35.03 34.98 2ctn n LYS 86 CO 0.00 0.00 0.00 0.22 -0.05 0.00 0.00 177.40 177.57 2ctn h ASP 87 N 0.00 0.00 -0.31 -5.58 1.82 -2.01 1.71 116.42 112.06 2ctn h ASP 87 Ca 0.00 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.55 2ctn h ASP 87 Cb 0.00 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 39.96 2ctn h ASP 87 CO 0.00 0.00 0.11 -0.90 -1.61 0.00 0.00 179.24 176.84 2ctn n ASP 88 N -3.54 3.09 0.00 2.28 5.75 -1.26 -5.18 116.55 117.68 2ctn n ASP 88 Ca 0.29 -2.49 0.07 0.00 -0.01 0.00 0.00 54.79 52.65 2ctn n ASP 88 Cb 1.59 -0.60 0.44 0.00 -1.03 0.00 0.00 41.12 41.52 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85