#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 -0.11 0.00 0.00 2.03 -1.26 -5.06 116.55 112.16 2ctn n ASP 3 Ca 0.00 -0.26 0.00 0.00 0.52 0.00 0.00 54.79 55.05 2ctn n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 -0.80 0.01 0.05 5.18 5.41 -1.26 -4.82 119.36 123.13 2ctn n ILE 4 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.73 2ctn n ILE 4 Cb 0.00 -1.20 -0.08 0.00 -0.71 0.00 0.00 39.64 37.66 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 0.00 0.00 -0.89 1.39 0.05 -1.96 -3.32 116.97 112.24 2ctn h TYR 5 Ca 0.00 0.00 0.22 0.00 0.05 0.00 0.00 58.73 59.00 2ctn h TYR 5 Cb 0.69 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 38.37 2ctn h TYR 5 CO 0.00 0.69 0.60 -0.22 -1.05 0.00 0.00 178.16 178.18 2ctn h LYS 6 N 0.00 0.26 -0.57 4.88 1.63 -1.94 0.26 116.57 121.10 2ctn h LYS 6 Ca -0.14 -0.02 0.08 0.00 -0.85 0.00 0.00 60.65 59.72 2ctn h LYS 6 Cb 1.65 -0.06 -0.03 0.00 -0.60 0.00 0.00 32.23 33.18 2ctn h LYS 6 CO 0.07 0.17 0.38 0.00 -3.45 0.00 0.00 179.45 176.62 2ctn h ALA 7 N 1.60 1.94 0.03 5.00 0.00 -1.89 -1.65 119.26 124.29 2ctn h ALA 7 Ca 0.45 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.29 2ctn h ALA 7 Cb 1.33 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 19.03 2ctn h ALA 7 CO -0.13 -0.05 -0.25 0.00 0.00 0.00 0.00 179.25 178.82 2ctn h ALA 8 N 1.70 -0.01 -0.04 0.00 0.00 -0.72 -3.21 119.26 116.98 2ctn h ALA 8 Ca 0.25 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2ctn h ALA 8 Cb 0.41 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ctn h ALA 8 CO -0.07 0.10 0.16 0.28 0.00 0.00 0.00 179.25 179.72 2ctn h VAL 9 N -0.69 0.12 -0.01 0.00 2.07 -1.19 0.48 116.25 117.02 2ctn h VAL 9 Ca -0.04 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.37 2ctn h VAL 9 Cb 1.12 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.72 2ctn h VAL 9 CO 0.05 0.00 -0.53 -0.08 0.02 0.00 0.00 177.57 177.03 2ctn h GLU 10 N 0.00 0.03 -0.54 1.57 4.81 -1.31 -2.64 114.58 116.50 2ctn h GLU 10 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 10 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 2ctn h GLU 10 CO -0.00 0.55 0.00 1.04 -0.73 0.00 0.00 179.01 179.87 2ctn n GLN 11 N -3.92 2.34 0.00 1.92 6.02 0.15 -4.91 117.38 118.99 2ctn n GLN 11 Ca -0.01 -1.48 0.00 0.00 -0.01 0.00 0.00 57.00 55.50 2ctn n GLN 11 Cb 0.54 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.26 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2ctn n LEU 12 N 0.50 0.00 -3.99 1.08 4.77 -1.00 -5.06 117.00 113.31 2ctn n LEU 12 Ca 0.13 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.98 2ctn n LEU 12 Cb 0.49 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.45 2ctn n LEU 12 CO 0.12 -0.81 -0.39 0.42 -1.33 0.00 0.00 177.39 175.40 2ctn s THR 13 N -0.44 0.36 0.57 -5.08 -4.23 -1.26 -5.00 115.64 100.57 2ctn s THR 13 Ca 0.00 -0.64 0.35 0.00 -1.18 0.00 0.00 61.69 60.22 2ctn s THR 13 Cb 0.00 -0.39 0.52 0.00 1.34 0.00 0.00 72.50 73.96 2ctn s THR 13 CO 0.00 -0.19 1.66 -0.08 -0.54 0.00 0.00 174.62 175.47 2ctn h GLU 14 N 5.22 0.00 0.00 3.99 4.57 -1.99 1.31 114.58 127.68 2ctn h GLU 14 Ca -0.31 0.00 -0.17 0.00 -1.18 0.00 0.00 59.36 57.69 2ctn h GLU 14 Cb 1.20 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.77 2ctn h GLU 14 CO 0.45 0.00 -0.83 0.93 -1.18 0.00 0.00 179.01 178.38 2ctn h GLU 15 N 0.00 0.00 0.23 1.92 3.07 -2.00 -2.66 114.58 115.14 2ctn h GLU 15 Ca 0.55 0.00 -0.33 0.00 -0.50 0.00 0.00 59.36 59.08 2ctn h GLU 15 Cb 2.49 0.00 0.03 0.00 -0.84 0.00 0.00 28.75 30.43 2ctn h GLU 15 CO -0.01 0.83 -1.50 1.96 -1.40 0.00 0.00 179.01 178.89 2ctn h GLN 16 N 0.00 0.49 0.36 2.33 4.20 0.13 -3.20 115.11 119.42 2ctn h GLN 16 Ca -0.01 -0.84 -0.02 0.00 0.06 0.00 0.00 58.65 57.85 2ctn h GLN 16 Cb 1.50 0.31 0.00 0.00 0.30 0.00 0.00 27.48 29.60 2ctn h GLN 16 CO 0.11 1.40 -0.17 0.87 -0.67 0.00 0.00 178.83 180.37 2ctn h LYS 17 N 0.09 -0.46 -0.57 1.46 1.79 -1.29 -2.57 116.57 115.01 2ctn h LYS 17 Ca -0.27 0.03 0.10 0.00 -2.18 0.00 0.00 60.65 58.33 2ctn h LYS 17 Cb 2.11 0.11 -0.11 0.00 -1.58 0.00 0.00 32.23 32.76 2ctn h LYS 17 CO 0.24 -0.18 -0.31 -0.91 -1.08 0.00 0.00 179.45 177.22 2ctn h ASN 18 N -0.73 -1.06 -0.89 0.86 2.35 -1.62 0.47 115.58 114.95 2ctn h ASN 18 Ca -0.05 0.22 0.14 0.00 -0.55 0.00 0.00 56.30 56.06 2ctn h ASN 18 Cb 0.50 0.54 -0.07 0.00 0.05 0.00 0.00 38.32 39.34 2ctn h ASN 18 CO 0.08 -0.29 0.57 -0.33 -1.65 0.00 0.00 177.43 175.81 2ctn h GLU 19 N -0.15 0.67 -0.01 0.81 4.39 -1.53 0.28 114.58 119.04 2ctn h GLU 19 Ca 0.24 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.89 2ctn h GLU 19 Cb 0.54 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 2ctn h GLU 19 CO -0.66 0.44 -0.04 0.74 -1.16 0.00 0.00 179.01 178.34 2ctn h PHE 20 N 0.69 0.05 -0.36 4.33 0.04 0.17 0.11 116.94 121.97 2ctn h PHE 20 Ca 0.45 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 61.18 2ctn h PHE 20 Cb 0.73 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.85 2ctn h PHE 20 CO -0.00 0.70 0.14 0.87 -0.60 0.00 0.00 178.31 179.42 2ctn h LYS 21 N -0.62 0.50 0.10 1.51 1.79 0.02 0.04 116.57 119.92 2ctn h LYS 21 Ca -0.00 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 58.40 2ctn h LYS 21 Cb 0.71 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2ctn h LYS 21 CO 0.01 0.42 -0.05 0.00 -1.08 0.00 0.00 179.45 178.75 2ctn h ALA 22 N 1.66 -0.13 -0.56 3.86 0.00 -0.46 -2.92 119.26 120.71 2ctn h ALA 22 Ca 0.13 -0.03 0.11 0.00 0.00 0.00 0.00 54.91 55.12 2ctn h ALA 22 Cb 0.10 0.05 -0.11 0.00 0.00 0.00 0.00 17.79 17.84 2ctn h ALA 22 CO -0.01 -0.12 -0.17 0.00 0.00 0.00 0.00 179.25 178.94 2ctn h ALA 23 N -1.04 0.31 -0.00 0.00 0.00 -0.76 -0.56 119.26 117.21 2ctn h ALA 23 Ca -0.01 0.21 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2ctn h ALA 23 Cb 0.10 0.48 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ctn h ALA 23 CO 0.02 -0.47 -0.02 0.35 0.00 0.00 0.00 179.25 179.13 2ctn h PHE 24 N -0.04 -0.06 -1.02 0.00 3.04 -1.10 1.65 116.94 119.41 2ctn h PHE 24 Ca 0.27 0.00 0.30 0.00 3.98 0.00 0.00 57.97 62.52 2ctn h PHE 24 Cb 0.44 0.03 -0.04 0.00 2.56 0.00 0.00 35.95 38.94 2ctn h PHE 24 CO -0.49 -0.02 1.00 0.22 -2.02 0.00 0.00 178.31 177.00 2ctn h ASP 25 N -0.02 0.00 0.06 0.41 1.82 -1.22 2.49 116.42 119.96 2ctn h ASP 25 Ca 0.00 0.00 -0.22 0.00 -0.39 0.00 0.00 57.03 56.42 2ctn h ASP 25 Cb 0.03 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.02 2ctn h ASP 25 CO -0.01 0.00 -1.16 0.40 -1.61 0.00 0.00 179.24 176.86 2ctn h ILE 26 N 0.00 1.11 0.00 2.25 2.04 0.11 -3.33 117.51 119.68 2ctn h ILE 26 Ca 0.49 -2.33 -0.04 0.00 1.00 0.00 0.00 64.86 63.98 2ctn h ILE 26 Cb 2.48 2.68 -0.01 0.00 -0.74 0.00 0.00 36.82 41.23 2ctn h ILE 26 CO -0.01 0.58 -0.32 -0.26 0.00 0.00 0.00 178.15 178.14 2ctn h PHE 27 N -0.60 0.00 0.00 1.37 0.04 0.55 -3.17 116.94 115.13 2ctn h PHE 27 Ca -0.27 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.50 2ctn h PHE 27 Cb 1.52 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.67 2ctn h PHE 27 CO 0.14 0.17 0.00 1.55 -0.60 0.00 0.00 178.31 179.58 2ctn n VAL 28 N -3.08 0.79 -1.61 -0.55 3.14 0.81 -4.48 118.33 113.34 2ctn n VAL 28 Ca 0.02 0.16 -0.47 0.00 -2.96 0.00 0.00 64.34 61.09 2ctn n VAL 28 Cb 0.61 -0.98 -0.05 0.00 -1.06 0.00 0.00 33.84 32.36 2ctn n VAL 28 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2ctn n LEU 29 N -1.93 3.18 0.00 6.55 4.32 -1.20 0.70 117.00 128.62 2ctn n LEU 29 Ca 0.03 0.69 0.00 0.00 -0.02 0.00 0.00 56.01 56.71 2ctn n LEU 29 Cb 0.24 -1.40 0.00 0.00 -1.62 0.00 0.00 43.42 40.65 2ctn n LEU 29 CO 0.20 -0.31 0.00 0.61 -1.22 0.00 0.00 177.39 176.66 2ctn n GLY 30 N 5.15 1.37 3.05 -0.72 0.00 -1.26 -4.99 105.19 107.78 2ctn n GLY 30 Ca 0.28 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.01 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 0.79 -3.23 -0.11 4.61 0.00 0.22 -4.81 120.51 117.98 2ctn n ALA 31 Ca 0.00 -1.14 -0.07 0.00 0.00 0.00 0.00 53.44 52.23 2ctn n ALA 31 Cb 0.00 -0.91 0.02 0.00 0.00 0.00 0.00 19.45 18.55 2ctn n ALA 31 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 2ctn h GLU 32 N -1.70 0.35 -0.50 0.00 4.81 -1.86 -3.38 114.58 112.30 2ctn h GLU 32 Ca -0.36 -0.02 -0.30 0.00 -0.13 0.00 0.00 59.36 58.55 2ctn h GLU 32 Cb 1.12 -0.08 -0.21 0.00 0.63 0.00 0.00 28.75 30.21 2ctn h GLU 32 CO 0.23 0.23 -0.63 -0.40 -0.73 0.00 0.00 179.01 177.71 2ctn n ASP 33 N -4.95 -1.60 -2.76 1.04 5.68 -1.26 -4.97 116.55 107.73 2ctn n ASP 33 Ca 0.01 -3.51 -0.12 0.00 -0.50 0.00 0.00 54.79 50.67 2ctn n ASP 33 Cb 0.10 1.30 0.06 0.00 -1.14 0.00 0.00 41.12 41.44 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2ctn n GLY 34 N 0.42 -0.20 0.00 6.12 0.00 -1.26 -4.99 105.19 105.28 2ctn n GLY 34 Ca 0.11 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2ctn n GLY 34 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ctn n SER 35 N -2.57 0.00 -3.50 1.61 7.64 -1.26 -4.84 113.62 110.69 2ctn n SER 35 Ca -0.19 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.40 2ctn n SER 35 Cb 0.62 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.69 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2ctn s ILE 36 N -1.63 0.13 0.67 0.44 1.01 0.39 -4.03 121.20 118.19 2ctn s ILE 36 Ca 0.00 -1.42 -0.11 0.00 0.00 0.00 0.00 60.65 59.12 2ctn s ILE 36 Cb 0.00 -1.11 -0.01 0.00 0.01 0.00 0.00 42.46 41.35 2ctn s ILE 36 CO 0.00 -0.89 1.06 -0.44 0.00 0.00 0.00 174.94 174.67 2ctn s SER 37 N 1.40 5.75 0.60 3.58 0.01 -1.26 -2.23 113.70 121.54 2ctn s SER 37 Ca 0.15 1.22 0.29 0.00 1.31 0.00 0.00 55.95 58.91 2ctn s SER 37 Cb -0.21 -2.12 1.14 0.00 0.21 0.00 0.00 66.02 65.04 2ctn s SER 37 CO -0.12 -1.15 1.50 0.00 0.41 0.00 0.00 173.24 173.88 2ctn h THR 38 N -0.50 0.11 0.00 1.44 1.03 -1.94 2.16 112.91 115.21 2ctn h THR 38 Ca -0.45 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.90 2ctn h THR 38 Cb 1.23 0.19 -0.01 0.00 -1.07 0.00 0.00 68.15 68.49 2ctn h THR 38 CO 0.63 0.00 -0.25 0.50 -0.01 0.00 0.00 175.52 176.39 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 3.11 -1.89 -3.28 116.57 114.51 2ctn h LYS 39 Ca 0.44 0.00 -0.09 0.00 -2.81 0.00 0.00 60.65 58.18 2ctn h LYS 39 Cb 2.45 0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 33.66 2ctn h LYS 39 CO -0.00 0.25 -1.95 0.39 -2.81 0.00 0.00 179.45 175.33 2ctn n GLU 40 N -3.21 0.75 0.20 1.90 -0.58 0.71 -4.29 120.64 116.12 2ctn n GLU 40 Ca 0.02 -0.12 0.15 0.00 -0.42 0.00 0.00 57.16 56.79 2ctn n GLU 40 Cb 0.58 -1.44 0.60 0.00 -0.57 0.00 0.00 31.44 30.61 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 0.00 -0.17 -4.62 7.12 -0.85 -3.20 115.31 113.59 2ctn h LEU 41 Ca -0.14 0.00 0.05 0.00 0.13 0.00 0.00 57.88 57.92 2ctn h LEU 41 Cb 1.21 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 41.28 2ctn h LEU 41 CO 0.01 0.00 -0.32 1.23 -0.13 0.00 0.00 178.44 179.23 2ctn h GLY 42 N 2.03 -0.41 2.00 3.75 0.00 -1.74 0.56 103.07 109.25 2ctn h GLY 42 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2ctn h GLY 42 CO 0.00 -0.22 0.00 0.28 0.00 0.00 0.00 176.54 176.60 2ctn n LYS 43 N -5.41 0.22 0.06 4.80 5.02 -1.21 -2.67 118.16 118.98 2ctn n LYS 43 Ca -0.03 0.36 -0.01 0.00 -2.02 0.00 0.00 58.31 56.61 2ctn n LYS 43 Cb 0.33 -1.86 -0.06 0.00 -0.02 0.00 0.00 35.03 33.42 2ctn n LYS 43 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2ctn h VAL 44 N 0.00 0.86 0.00 -0.18 2.07 -0.67 -2.99 116.25 115.34 2ctn h VAL 44 Ca 0.00 -2.39 -0.01 0.00 0.82 0.00 0.00 66.70 65.12 2ctn h VAL 44 Cb 0.49 2.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.60 2ctn h VAL 44 CO 0.00 0.49 -0.08 0.24 0.02 0.00 0.00 177.57 178.24 2ctn h MET 45 N 0.00 0.00 0.00 1.57 2.86 0.17 -2.94 114.93 116.59 2ctn h MET 45 Ca -0.10 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.48 2ctn h MET 45 Cb 1.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.25 2ctn h MET 45 CO 0.07 0.93 -0.27 -0.09 1.06 0.00 0.00 176.91 178.61 2ctn h ARG 46 N -1.00 0.00 0.00 1.72 1.12 -1.34 0.63 114.38 115.51 2ctn h ARG 46 Ca -0.02 0.00 -0.16 0.00 -1.11 0.00 0.00 59.98 58.69 2ctn h ARG 46 Cb 0.95 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 30.89 2ctn h ARG 46 CO -0.01 0.27 -0.75 0.00 -3.11 0.00 0.00 179.97 176.37 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.64 -3.29 114.93 110.21 2ctn h MET 47 Ca -0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.70 59.46 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 0.04 0.75 -1.31 -0.07 -0.00 0.00 0.00 176.91 176.32 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 -1.31 -3.47 115.31 113.81 2ctn h LEU 48 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2ctn h LEU 48 Cb 1.58 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.33 2ctn h LEU 48 CO 0.10 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.16 2ctn n GLY 49 N 1.43 0.54 3.10 0.83 0.00 -0.75 -5.10 105.19 105.25 2ctn n GLY 49 Ca -0.08 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.74 2ctn n GLY 49 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2ctn s GLN 50 N 0.00 0.91 -0.31 1.61 -0.21 0.21 -4.98 119.66 116.89 2ctn s GLN 50 Ca 0.00 -0.61 0.18 0.00 0.02 0.00 0.00 55.36 54.96 2ctn s GLN 50 Cb 0.00 -0.89 0.47 0.00 1.00 0.00 0.00 33.01 33.59 2ctn s GLN 50 CO 0.00 0.23 0.99 -1.71 -2.12 0.00 0.00 175.29 172.68 2ctn n ASN 51 N 2.26 1.66 -2.50 5.90 5.15 -1.26 -2.68 115.26 123.79 2ctn n ASN 51 Ca -0.16 -2.64 0.00 0.00 -0.60 0.00 0.00 54.58 51.17 2ctn n ASN 51 Cb 0.55 -0.52 0.00 0.00 -0.53 0.00 0.00 39.78 39.29 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ctn n PRO 52 N -0.19 -0.72 -3.74 1.20 -0.04 -1.26 -5.06 135.00 125.18 2ctn n PRO 52 Ca 0.10 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.36 2ctn n PRO 52 Cb 0.81 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.24 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 -0.93 3.59 0.00 0.52 -4.23 -1.26 -5.01 115.64 108.33 2ctn s THR 53 Ca 0.00 -1.31 0.26 0.00 -1.18 0.00 0.00 61.69 59.47 2ctn s THR 53 Cb 0.00 -3.21 0.29 0.00 1.34 0.00 0.00 72.50 70.92 2ctn s THR 53 CO 0.00 -0.16 1.81 1.55 -0.54 0.00 0.00 174.62 177.28 2ctn h PRO 54 N 1.18 0.00 0.00 3.99 0.13 -2.01 -2.91 132.00 132.38 2ctn h PRO 54 Ca -0.45 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.56 2ctn h PRO 54 Cb 1.25 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.57 0.14 -0.69 1.49 -0.23 0.00 0.00 178.00 179.28 2ctn h GLU 55 N 0.00 0.00 0.21 0.86 4.81 -2.03 -3.32 114.58 115.11 2ctn h GLU 55 Ca -0.00 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 58.91 2ctn h GLU 55 Cb 0.77 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.17 2ctn h GLU 55 CO 0.02 0.52 -1.46 1.49 -0.73 0.00 0.00 179.01 178.84 2ctn h GLU 56 N 0.00 0.44 -0.39 1.92 4.81 -1.93 -3.34 114.58 116.08 2ctn h GLU 56 Ca -0.03 -0.75 0.05 0.00 -0.13 0.00 0.00 59.36 58.50 2ctn h GLU 56 Cb 1.45 0.28 -0.08 0.00 0.63 0.00 0.00 28.75 31.04 2ctn h GLU 56 CO 0.07 1.35 -0.51 -0.07 -0.73 0.00 0.00 179.01 179.12 2ctn h LEU 57 N 0.12 -1.70 -1.48 1.64 3.38 -1.61 0.39 115.31 116.05 2ctn h LEU 57 Ca -0.24 0.22 0.29 0.00 0.09 0.00 0.00 57.88 58.25 2ctn h LEU 57 Cb 2.11 0.70 -0.09 0.00 0.09 0.00 0.00 40.66 43.47 2ctn h LEU 57 CO 0.24 -0.36 0.71 -0.61 0.09 0.00 0.00 178.44 178.51 2ctn h GLN 58 N -0.34 0.30 0.58 1.13 5.75 -1.71 -1.96 115.11 118.85 2ctn h GLN 58 Ca 0.07 -0.02 -0.03 0.00 -0.15 0.00 0.00 58.65 58.52 2ctn h GLN 58 Cb 0.53 -0.07 0.01 0.00 1.07 0.00 0.00 27.48 29.02 2ctn h GLN 58 CO -0.55 0.20 -0.28 0.93 -2.65 0.00 0.00 178.83 176.47 2ctn h GLU 59 N 0.30 -0.75 -0.84 1.69 5.08 -0.40 -0.31 114.58 119.36 2ctn h GLU 59 Ca 0.60 0.05 0.17 0.00 -1.00 0.00 0.00 59.36 59.18 2ctn h GLU 59 Cb 1.68 0.17 -0.16 0.00 0.50 0.00 0.00 28.75 30.95 2ctn h GLU 59 CO -0.25 -0.50 -0.20 0.52 -1.00 0.00 0.00 179.01 177.58 2ctn h MET 60 N -1.03 0.00 0.72 2.33 2.86 -0.54 -1.10 114.93 118.18 2ctn h MET 60 Ca -0.08 -0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.52 2ctn h MET 60 Cb 0.60 -0.00 0.01 0.00 0.06 0.00 0.00 31.60 32.26 2ctn h MET 60 CO 0.13 0.00 -0.35 0.82 1.06 0.00 0.00 176.91 178.58 2ctn h ILE 61 N 0.00 0.18 -1.60 -1.22 2.04 -1.44 -1.98 117.51 113.50 2ctn h ILE 61 Ca 0.41 -0.20 0.46 0.00 1.00 0.00 0.00 64.86 66.54 2ctn h ILE 61 Cb 0.63 0.22 -0.06 0.00 -0.74 0.00 0.00 36.82 36.87 2ctn h ILE 61 CO -0.86 0.02 1.25 -0.78 0.00 0.00 0.00 178.15 177.77 2ctn h ASP 62 N -1.13 0.00 0.00 1.72 1.82 0.14 1.39 116.42 120.36 2ctn h ASP 62 Ca -0.10 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.54 2ctn h ASP 62 Cb 0.77 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.78 2ctn h ASP 62 CO 0.16 0.00 -0.05 -0.08 -1.61 0.00 0.00 179.24 177.66 2ctn h GLU 63 N 0.00 0.00 -0.56 0.28 4.81 -0.82 -3.38 114.58 114.91 2ctn h GLU 63 Ca 0.76 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.91 2ctn h GLU 63 Cb 3.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 32.60 2ctn h GLU 63 CO -0.01 0.00 0.04 -0.39 -0.73 0.00 0.00 179.01 177.92 2ctn h VAL 64 N -0.70 1.25 -2.07 0.32 -1.51 -0.49 -3.43 116.25 109.63 2ctn h VAL 64 Ca 0.00 -1.04 -0.62 0.00 -1.23 0.00 0.00 66.70 63.81 2ctn h VAL 64 Cb 0.05 0.78 0.05 0.00 -2.13 0.00 0.00 31.29 30.04 2ctn h VAL 64 CO 0.00 0.38 0.72 -0.67 -1.23 0.00 0.00 177.57 176.76 2ctn n ASP 65 N -4.21 2.68 -0.29 4.19 -0.08 0.46 -4.84 116.55 114.46 2ctn n ASP 65 Ca 0.03 1.09 0.13 0.00 -1.51 0.00 0.00 54.79 54.53 2ctn n ASP 65 Cb 0.30 -1.35 0.41 0.00 2.34 0.00 0.00 41.12 42.83 2ctn n ASP 65 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ctn n GLU 66 N 3.39 1.00 -0.03 -0.67 0.28 -1.26 -4.00 120.64 119.35 2ctn n GLU 66 Ca 0.18 -0.58 0.00 0.00 -0.16 0.00 0.00 57.16 56.60 2ctn n GLU 66 Cb 0.26 -1.49 0.00 0.00 1.43 0.00 0.00 31.44 31.64 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.16 0.00 0.00 177.13 176.57 2ctn n ASP 67 N -0.49 0.50 -3.83 -1.84 5.75 -1.26 -5.03 116.55 110.35 2ctn n ASP 67 Ca 0.14 -1.33 -0.34 0.00 -0.01 0.00 0.00 54.79 53.25 2ctn n ASP 67 Cb 0.35 -0.02 0.02 0.00 -1.03 0.00 0.00 41.12 40.44 2ctn n ASP 67 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 68 N -0.14 -1.05 0.23 6.12 0.00 -1.26 -4.86 105.19 104.23 2ctn n GLY 68 Ca 0.00 0.46 0.02 0.00 0.00 0.00 0.00 46.02 46.50 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 -2.39 2.06 -3.77 1.61 3.41 -1.26 -4.98 113.62 108.30 2ctn n SER 69 Ca -0.16 -1.74 -0.27 0.00 -0.26 0.00 0.00 58.87 56.44 2ctn n SER 69 Cb 0.61 -0.06 0.05 0.00 -0.26 0.00 0.00 64.21 64.54 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 0.02 -0.49 2.92 5.00 0.00 -1.26 -4.97 105.19 106.40 2ctn n GLY 70 Ca 0.04 0.21 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 -3.34 0.09 -0.05 2.61 -4.23 -1.26 -3.37 115.64 106.09 2ctn s THR 71 Ca 0.55 -0.34 -0.00 0.00 -1.18 0.00 0.00 61.69 60.72 2ctn s THR 71 Cb -0.26 -0.14 0.03 0.00 1.34 0.00 0.00 72.50 73.47 2ctn s THR 71 CO 0.79 -0.16 -0.00 -0.69 -0.54 0.00 0.00 174.62 174.02 2ctn s VAL 72 N -0.51 0.29 0.00 2.29 1.01 -0.95 -4.91 120.40 117.62 2ctn s VAL 72 Ca -0.05 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.01 2ctn s VAL 72 Cb -0.04 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.94 2ctn s VAL 72 CO -0.00 0.20 0.00 -0.90 0.00 0.00 0.00 175.10 174.40 2ctn n ASP 73 N 4.51 0.44 -0.01 3.32 5.75 -1.26 0.15 116.55 129.45 2ctn n ASP 73 Ca -0.18 0.00 0.18 0.00 -0.01 0.00 0.00 54.79 54.78 2ctn n ASP 73 Cb 0.50 0.00 0.65 0.00 -1.03 0.00 0.00 41.12 41.25 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -0.11 0.00 0.00 177.20 177.24 2ctn h PHE 74 N 0.00 0.09 0.00 2.11 3.57 -1.99 -0.86 116.94 119.86 2ctn h PHE 74 Ca 0.00 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2ctn h PHE 74 Cb 0.00 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 38.71 2ctn h PHE 74 CO 0.00 0.04 -0.36 -0.44 -2.23 0.00 0.00 178.31 175.32 2ctn h ASP 75 N 0.08 0.00 -1.20 0.41 3.32 -2.00 -3.30 116.42 113.73 2ctn h ASP 75 Ca 0.25 0.00 0.34 0.00 0.02 0.00 0.00 57.03 57.64 2ctn h ASP 75 Cb 0.89 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.36 2ctn h ASP 75 CO -0.02 0.62 0.81 -0.33 -1.72 0.00 0.00 179.24 178.60 2ctn h GLU 76 N -0.88 0.16 0.00 3.56 5.08 -1.89 -1.39 114.58 119.23 2ctn h GLU 76 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2ctn h GLU 76 Cb 0.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2ctn h GLU 76 CO 0.00 0.11 0.00 0.34 -1.00 0.00 0.00 179.01 178.46 2ctn n PHE 77 N -4.43 0.00 -0.39 4.33 7.35 -0.33 0.63 117.46 124.62 2ctn n PHE 77 Ca 0.28 0.00 0.38 0.00 -0.76 0.00 0.00 57.45 57.36 2ctn n PHE 77 Cb 1.18 -0.50 0.77 0.00 0.35 0.00 0.00 39.48 41.28 2ctn n PHE 77 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 2ctn h LEU 78 N 0.00 0.00 0.00 -2.13 3.38 -1.52 2.05 115.31 117.09 2ctn h LEU 78 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2ctn h LEU 78 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2ctn h LEU 78 CO 0.00 -0.00 -0.44 0.58 0.09 0.00 0.00 178.44 178.67 2ctn h VAL 79 N 0.00 0.06 0.00 1.22 2.07 -1.10 -3.12 116.25 115.39 2ctn h VAL 79 Ca 0.63 -1.10 0.00 0.00 0.82 0.00 0.00 66.70 67.05 2ctn h VAL 79 Cb 2.53 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.14 2ctn h VAL 79 CO -0.01 0.04 0.00 -0.03 0.02 0.00 0.00 177.57 177.59 2ctn h MET 80 N 0.00 0.00 0.00 1.57 1.85 0.90 -2.99 114.93 116.26 2ctn h MET 80 Ca -0.01 0.00 -0.20 0.00 -0.61 0.00 0.00 59.70 58.88 2ctn h MET 80 Cb 1.04 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 33.03 2ctn h MET 80 CO 0.00 0.00 -2.12 -1.33 -0.40 0.00 0.00 176.91 173.07 2ctn n MET 81 N -2.32 0.84 -0.10 0.39 2.81 -1.07 -3.68 117.12 113.98 2ctn n MET 81 Ca 0.03 -0.08 -0.06 0.00 -1.81 0.00 0.00 57.70 55.79 2ctn n MET 81 Cb 0.29 -1.47 0.13 0.00 -0.71 0.00 0.00 33.22 31.46 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 1.25 0.00 2.03 2.07 -1.46 1.34 116.25 121.48 2ctn h VAL 82 Ca -0.30 -1.13 -0.04 0.00 0.82 0.00 0.00 66.70 66.06 2ctn h VAL 82 Cb 1.64 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2ctn h VAL 82 CO 0.02 0.39 -0.51 -0.09 0.02 0.00 0.00 177.57 177.40 2ctn h ARG 83 N 0.71 0.00 -0.01 1.57 2.43 -1.73 -3.28 114.38 114.07 2ctn h ARG 83 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2ctn h ARG 83 Cb 0.56 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2ctn h ARG 83 CO 0.03 0.12 -0.66 0.45 -1.51 0.00 0.00 179.97 178.41 2ctn n SER 84 N -2.98 1.44 -0.01 -3.80 2.88 -1.02 -4.41 113.62 105.72 2ctn n SER 84 Ca 0.01 -1.22 -0.17 0.00 -1.33 0.00 0.00 58.87 56.17 2ctn n SER 84 Cb 0.60 0.72 -0.11 0.00 -0.75 0.00 0.00 64.21 64.68 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2ctn h MET 85 N 1.19 0.36 -2.68 -1.46 2.86 0.17 -3.47 114.93 111.89 2ctn h MET 85 Ca 0.00 -0.36 -0.08 0.00 -2.06 0.00 0.00 59.70 57.19 2ctn h MET 85 Cb 0.58 0.10 -0.19 0.00 0.06 0.00 0.00 31.60 32.15 2ctn h MET 85 CO 0.00 1.04 -0.06 0.21 1.06 0.00 0.00 176.91 179.16 2ctn s LYS 86 N -3.28 0.88 0.13 1.72 2.47 -1.26 -5.03 119.74 115.38 2ctn s LYS 86 Ca -0.14 -0.09 0.24 0.00 -1.56 0.00 0.00 55.97 54.42 2ctn s LYS 86 Cb 0.03 0.40 0.37 0.00 -1.46 0.00 0.00 37.83 37.18 2ctn s LYS 86 CO 0.80 -0.28 1.35 -0.44 0.16 0.00 0.00 175.35 176.94 2ctn h ASP 87 N 3.30 0.00 -0.50 1.43 3.32 -1.91 -3.30 116.42 118.75 2ctn h ASP 87 Ca -0.29 -0.19 -0.14 0.00 0.02 0.00 0.00 57.03 56.43 2ctn h ASP 87 Cb 1.18 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.64 2ctn h ASP 87 CO 0.41 0.09 0.18 -0.67 -1.72 0.00 0.00 179.24 177.53 2ctn n ASP 88 N -2.15 3.91 0.00 6.45 2.03 -1.26 -5.19 116.55 120.33 2ctn n ASP 88 Ca 0.03 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.53 2ctn n ASP 88 Cb 0.44 -0.67 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04