#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 0.02 0.00 0.00 8.00 -1.26 -5.02 116.55 118.28 2ctn n ASP 3 Ca 0.00 -1.77 0.00 0.00 0.71 0.00 0.00 54.79 53.73 2ctn n ASP 3 Cb 0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ctn n ILE 4 N 0.01 0.00 0.02 0.53 5.41 -1.26 -3.80 119.36 120.26 2ctn n ILE 4 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 63.61 2ctn n ILE 4 Cb 0.66 0.00 -0.03 0.00 -0.71 0.00 0.00 39.64 39.56 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 0.84 -0.57 1.39 0.05 -1.95 -3.26 116.97 113.47 2ctn h TYR 5 Ca 0.00 -0.38 0.11 0.00 0.05 0.00 0.00 58.73 58.51 2ctn h TYR 5 Cb 0.00 -0.12 -0.11 0.00 1.01 0.00 0.00 36.73 37.51 2ctn h TYR 5 CO 0.00 1.19 -0.17 -0.22 -1.05 0.00 0.00 178.16 177.91 2ctn h LYS 6 N 0.41 -0.03 -0.93 4.88 1.63 -1.94 0.35 116.57 120.95 2ctn h LYS 6 Ca -0.05 0.00 0.21 0.00 -0.85 0.00 0.00 60.65 59.96 2ctn h LYS 6 Cb 1.40 0.01 -0.07 0.00 -0.60 0.00 0.00 32.23 32.97 2ctn h LYS 6 CO 0.15 -0.02 0.61 0.00 -3.45 0.00 0.00 179.45 176.74 2ctn h ALA 7 N 1.49 2.18 -0.11 5.00 0.00 -1.89 -0.49 119.26 125.44 2ctn h ALA 7 Ca 0.27 0.03 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2ctn h ALA 7 Cb 0.44 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.21 2ctn h ALA 7 CO -0.60 -0.49 -0.46 0.00 0.00 0.00 0.00 179.25 177.71 2ctn h ALA 8 N 1.61 0.21 -0.06 0.00 0.00 -0.46 -3.09 119.26 117.46 2ctn h ALA 8 Ca 0.49 -0.49 0.01 0.00 0.00 0.00 0.00 54.91 54.93 2ctn h ALA 8 Cb 1.20 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.97 2ctn h ALA 8 CO -0.20 0.35 0.04 0.28 0.00 0.00 0.00 179.25 179.72 2ctn h VAL 9 N 0.10 0.99 0.00 0.00 2.07 -0.05 -0.63 116.25 118.73 2ctn h VAL 9 Ca -0.03 -0.01 -0.11 0.00 0.82 0.00 0.00 66.70 67.38 2ctn h VAL 9 Cb 1.09 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ctn h VAL 9 CO 0.10 0.00 -0.52 -0.33 0.02 0.00 0.00 177.57 176.84 2ctn h GLU 10 N 0.02 0.00 -0.01 1.57 4.39 -1.24 -2.76 114.58 116.56 2ctn h GLU 10 Ca 0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2ctn h GLU 10 Cb 0.07 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.72 2ctn h GLU 10 CO -0.00 0.52 -0.25 1.04 -1.16 0.00 0.00 179.01 179.16 2ctn n GLN 11 N -3.73 0.84 -0.79 2.33 6.02 -0.32 -4.94 117.38 116.79 2ctn n GLN 11 Ca -0.01 -0.49 -0.30 0.00 -0.01 0.00 0.00 57.00 56.18 2ctn n GLN 11 Cb 0.57 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.65 -2.45 -4.83 1.08 4.77 -0.74 -4.95 117.00 109.24 2ctn n LEU 12 Ca 0.12 -0.11 -0.34 0.00 -0.03 0.00 0.00 56.01 55.65 2ctn n LEU 12 Cb 0.35 -0.71 -0.06 0.00 -2.33 0.00 0.00 43.42 40.66 2ctn n LEU 12 CO 0.26 -2.78 -0.21 0.42 -1.33 0.00 0.00 177.39 173.74 2ctn s THR 13 N -2.10 5.05 0.58 -5.08 -4.23 -1.26 -4.95 115.64 103.64 2ctn s THR 13 Ca 0.41 -0.20 0.36 0.00 -1.18 0.00 0.00 61.69 61.07 2ctn s THR 13 Cb -0.01 -3.29 0.52 0.00 1.34 0.00 0.00 72.50 71.06 2ctn s THR 13 CO 0.56 0.42 1.60 1.05 -0.54 0.00 0.00 174.62 177.71 2ctn h GLU 14 N 4.28 0.00 0.00 3.99 4.11 -1.99 2.05 114.58 127.02 2ctn h GLU 14 Ca -0.50 0.00 -0.07 0.00 0.07 0.00 0.00 59.36 58.86 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.43 2ctn h GLU 14 CO 0.63 0.00 -0.34 0.93 0.07 0.00 0.00 179.01 180.30 2ctn h GLU 15 N 0.00 0.00 0.09 1.06 5.08 -1.99 -1.24 114.58 117.58 2ctn h GLU 15 Ca 0.57 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.76 2ctn h GLU 15 Cb 2.68 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.93 2ctn h GLU 15 CO -0.01 0.34 -0.82 1.96 -1.00 0.00 0.00 179.01 179.48 2ctn h GLN 16 N 0.00 0.20 -0.22 2.33 1.08 0.29 -3.26 115.11 115.53 2ctn h GLN 16 Ca -0.00 -0.34 -0.20 0.00 -1.45 0.00 0.00 58.65 56.65 2ctn h GLN 16 Cb 1.01 0.13 0.01 0.00 -0.05 0.00 0.00 27.48 28.57 2ctn h GLN 16 CO 0.04 1.16 -0.66 0.87 -0.95 0.00 0.00 178.83 179.30 2ctn h LYS 17 N -0.54 0.84 -0.36 1.46 1.57 -1.52 -2.23 116.57 115.79 2ctn h LYS 17 Ca -0.17 -0.61 0.08 0.00 -1.87 0.00 0.00 60.65 58.08 2ctn h LYS 17 Cb 1.51 0.10 -0.08 0.00 0.08 0.00 0.00 32.23 33.84 2ctn h LYS 17 CO 0.07 1.23 -0.16 -0.91 -0.57 0.00 0.00 179.45 179.11 2ctn h ASN 18 N 0.61 -0.54 -0.36 0.86 2.35 -1.37 0.22 115.58 117.34 2ctn h ASN 18 Ca -0.02 0.13 -0.13 0.00 -0.55 0.00 0.00 56.30 55.74 2ctn h ASN 18 Cb 1.28 0.30 -0.01 0.00 0.05 0.00 0.00 38.32 39.94 2ctn h ASN 18 CO 0.14 -0.19 -0.25 -0.08 -1.65 0.00 0.00 177.43 175.40 2ctn h GLU 19 N -0.09 0.87 0.37 0.81 4.81 -1.59 -1.67 114.58 118.09 2ctn h GLU 19 Ca 0.18 -0.38 -0.02 0.00 -0.13 0.00 0.00 59.36 59.01 2ctn h GLU 19 Cb 0.37 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ctn h GLU 19 CO -0.42 1.02 -0.18 0.74 -0.73 0.00 0.00 179.01 179.44 2ctn h PHE 20 N 0.75 -0.46 -0.97 0.92 0.04 -0.59 0.27 116.94 116.89 2ctn h PHE 20 Ca 0.09 -0.01 0.20 0.00 2.80 0.00 0.00 57.97 61.05 2ctn h PHE 20 Cb 0.80 0.15 -0.09 0.00 2.20 0.00 0.00 35.95 39.01 2ctn h PHE 20 CO 0.05 -0.29 0.61 0.87 -0.60 0.00 0.00 178.31 178.95 2ctn h LYS 21 N -0.51 0.62 0.73 1.51 1.57 -0.71 -0.05 116.57 119.73 2ctn h LYS 21 Ca -0.05 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 2ctn h LYS 21 Cb 0.38 -0.14 0.01 0.00 0.08 0.00 0.00 32.23 32.56 2ctn h LYS 21 CO 0.08 0.41 -0.35 0.00 -0.57 0.00 0.00 179.45 179.02 2ctn h ALA 22 N 1.63 -1.04 0.27 3.86 0.00 -1.07 -2.27 119.26 120.63 2ctn h ALA 22 Ca 0.54 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.24 2ctn h ALA 22 Cb 1.01 0.38 -0.03 0.00 0.00 0.00 0.00 17.79 19.15 2ctn h ALA 22 CO -0.30 -0.97 -0.39 0.00 0.00 0.00 0.00 179.25 177.59 2ctn h ALA 23 N -1.34 -0.78 -0.70 0.00 0.00 0.05 -1.64 119.26 114.85 2ctn h ALA 23 Ca -0.10 -0.10 0.09 0.00 0.00 0.00 0.00 54.91 54.80 2ctn h ALA 23 Cb 0.75 0.60 -0.11 0.00 0.00 0.00 0.00 17.79 19.03 2ctn h ALA 23 CO 0.16 -0.99 -0.48 0.35 0.00 0.00 0.00 179.25 178.30 2ctn h PHE 24 N -0.72 -1.45 0.00 0.00 3.04 -1.09 1.68 116.94 118.40 2ctn h PHE 24 Ca -0.01 0.10 0.00 0.00 3.98 0.00 0.00 57.97 62.04 2ctn h PHE 24 Cb 0.69 0.73 0.00 0.00 2.56 0.00 0.00 35.95 39.93 2ctn h PHE 24 CO -0.27 -0.42 0.04 -0.44 -2.02 0.00 0.00 178.31 175.20 2ctn h ASP 25 N -0.17 0.00 0.39 0.41 5.19 -1.11 0.50 116.42 121.63 2ctn h ASP 25 Ca 0.18 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.39 2ctn h ASP 25 Cb 0.54 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.01 2ctn h ASP 25 CO -0.77 0.00 -1.79 -0.38 -3.12 0.00 0.00 179.24 173.18 2ctn n ILE 26 N -2.95 1.08 0.03 0.35 5.41 0.50 -4.01 119.36 119.76 2ctn n ILE 26 Ca -0.03 -0.71 0.08 0.00 1.00 0.00 0.00 62.75 63.09 2ctn n ILE 26 Cb 0.10 -0.56 -0.10 0.00 -0.71 0.00 0.00 39.64 38.37 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 -2.76 0.48 1.66 1.39 3.72 0.27 -3.99 117.46 118.23 2ctn n PHE 27 Ca -0.15 0.14 0.15 0.00 -0.05 0.00 0.00 57.45 57.54 2ctn n PHE 27 Cb 0.89 -0.79 0.69 0.00 -0.94 0.00 0.00 39.48 39.33 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 -2.54 0.00 -0.25 -4.37 0.31 0.16 -3.85 118.33 107.80 2ctn n VAL 28 Ca -0.06 -0.12 0.28 0.00 -0.01 0.00 0.00 64.34 64.42 2ctn n VAL 28 Cb 0.66 0.03 0.66 0.00 -0.91 0.00 0.00 33.84 34.28 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 1.16 0.15 -2.27 7.52 3.38 -1.70 -1.01 115.31 122.55 2ctn h LEU 29 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ctn h LEU 29 Cb 0.30 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 2ctn h LEU 29 CO 0.00 0.04 0.00 0.61 0.09 0.00 0.00 178.44 179.18 2ctn n GLY 30 N -1.65 0.94 3.05 0.83 0.00 -1.25 -5.08 105.19 102.02 2ctn n GLY 30 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.32 -5.35 -0.03 4.61 0.00 -0.39 -4.87 120.51 114.15 2ctn n ALA 31 Ca 0.00 -1.05 -0.14 0.00 0.00 0.00 0.00 53.44 52.25 2ctn n ALA 31 Cb 0.32 -1.06 -0.10 0.00 0.00 0.00 0.00 19.45 18.62 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 -1.13 0.20 -0.65 0.00 4.57 -1.90 -3.39 114.58 112.27 2ctn h GLU 32 Ca -0.43 -0.14 -0.29 0.00 -1.18 0.00 0.00 59.36 57.32 2ctn h GLU 32 Cb 1.35 0.03 -0.40 0.00 -0.16 0.00 0.00 28.75 29.57 2ctn h GLU 32 CO 0.24 0.77 -1.14 -0.25 -1.18 0.00 0.00 179.01 177.45 2ctn n ASP 33 N -4.60 1.49 -0.97 1.04 8.00 -1.26 -4.94 116.55 115.31 2ctn n ASP 33 Ca -0.08 -2.29 -0.06 0.00 0.71 0.00 0.00 54.79 53.07 2ctn n ASP 33 Cb 0.40 -0.49 0.01 0.00 -0.02 0.00 0.00 41.12 41.03 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 -0.39 0.40 3.30 0.44 0.00 -1.26 -5.04 105.19 102.64 2ctn n GLY 34 Ca 0.08 -0.54 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 2ctn n GLY 34 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ctn s SER 35 N -2.94 -0.12 -0.38 1.61 0.01 -1.26 -4.76 113.70 105.85 2ctn s SER 35 Ca 0.08 -0.45 -0.02 0.00 1.31 0.00 0.00 55.95 56.86 2ctn s SER 35 Cb -0.04 0.44 0.09 0.00 0.21 0.00 0.00 66.02 66.73 2ctn s SER 35 CO 0.10 -0.83 0.15 0.27 0.41 0.00 0.00 173.24 173.34 2ctn s ILE 36 N -3.83 3.20 0.82 1.44 -4.36 0.28 -4.05 121.20 114.70 2ctn s ILE 36 Ca 0.05 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.42 2ctn s ILE 36 Cb 0.03 -3.12 0.09 0.00 1.25 0.00 0.00 42.46 40.71 2ctn s ILE 36 CO -0.10 -0.55 1.18 -0.44 0.24 0.00 0.00 174.94 175.27 2ctn s SER 37 N 1.65 4.36 0.47 4.36 0.01 -1.26 -2.15 113.70 121.13 2ctn s SER 37 Ca 0.05 0.68 0.35 0.00 1.31 0.00 0.00 55.95 58.33 2ctn s SER 37 Cb -0.22 -1.13 1.49 0.00 0.21 0.00 0.00 66.02 66.38 2ctn s SER 37 CO -0.03 -1.98 1.63 0.00 0.41 0.00 0.00 173.24 173.26 2ctn h THR 38 N -1.08 0.12 0.00 1.44 1.03 -1.78 2.17 112.91 114.81 2ctn h THR 38 Ca -0.46 -0.02 -0.13 0.00 -0.01 0.00 0.00 66.41 65.79 2ctn h THR 38 Cb 1.32 0.05 -0.02 0.00 -1.07 0.00 0.00 68.15 68.43 2ctn h THR 38 CO 0.62 0.01 -0.72 0.50 -0.01 0.00 0.00 175.52 175.91 2ctn h LYS 39 N 0.06 0.00 0.03 0.00 1.63 -1.90 -2.78 116.57 113.62 2ctn h LYS 39 Ca 0.83 0.00 -0.37 0.00 -0.85 0.00 0.00 60.65 60.26 2ctn h LYS 39 Cb 2.79 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 34.36 2ctn h LYS 39 CO -0.31 0.56 -2.26 0.39 -3.45 0.00 0.00 179.45 174.38 2ctn n GLU 40 N -3.20 0.68 0.18 1.90 -0.58 0.59 -4.27 120.64 115.95 2ctn n GLU 40 Ca -0.00 0.16 0.05 0.00 -0.42 0.00 0.00 57.16 56.95 2ctn n GLU 40 Cb 0.79 -1.60 0.29 0.00 -0.57 0.00 0.00 31.44 30.35 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 0.02 0.00 -0.82 -4.62 6.46 0.26 -3.25 115.31 113.36 2ctn h LEU 41 Ca -0.50 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 57.43 2ctn h LEU 41 Cb 2.01 0.00 -0.15 0.00 -0.73 0.00 0.00 40.66 41.79 2ctn h LEU 41 CO -0.00 0.39 -0.15 1.23 -0.62 0.00 0.00 178.44 179.28 2ctn h GLY 42 N 2.34 0.67 2.00 3.75 0.00 -1.63 1.35 103.07 111.56 2ctn h GLY 42 Ca -0.00 0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.53 2ctn h GLY 42 CO 0.05 -0.32 -0.14 0.50 0.00 0.00 0.00 176.54 176.63 2ctn h LYS 43 N 0.02 0.00 0.04 4.80 6.56 -1.81 -2.93 116.57 123.24 2ctn h LYS 43 Ca 0.41 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 60.00 2ctn h LYS 43 Cb 0.66 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2ctn h LYS 43 CO -0.82 0.14 -0.02 0.28 -2.06 0.00 0.00 179.45 176.97 2ctn h VAL 44 N 0.00 1.33 -0.67 0.50 2.07 0.15 -3.29 116.25 116.35 2ctn h VAL 44 Ca -0.00 -1.45 0.13 0.00 0.82 0.00 0.00 66.70 66.20 2ctn h VAL 44 Cb 0.27 2.26 -0.13 0.00 -1.52 0.00 0.00 31.29 32.17 2ctn h VAL 44 CO 0.02 0.35 -0.24 0.24 0.02 0.00 0.00 177.57 177.96 2ctn h MET 45 N -0.73 -0.06 -1.39 1.57 2.86 -0.82 0.67 114.93 117.03 2ctn h MET 45 Ca -0.01 0.00 0.41 0.00 -2.06 0.00 0.00 59.70 58.05 2ctn h MET 45 Cb 0.63 0.01 -0.08 0.00 0.06 0.00 0.00 31.60 32.22 2ctn h MET 45 CO 0.01 -0.04 0.97 -0.09 1.06 0.00 0.00 176.91 178.82 2ctn h ARG 46 N -0.06 0.07 0.18 1.72 2.43 -0.87 0.75 114.38 118.60 2ctn h ARG 46 Ca 0.30 -0.00 -0.30 0.00 -0.81 0.00 0.00 59.98 59.16 2ctn h ARG 46 Cb 0.53 -0.02 0.02 0.00 -0.42 0.00 0.00 29.97 30.08 2ctn h ARG 46 CO -0.71 0.05 -1.36 0.52 -1.51 0.00 0.00 179.97 176.95 2ctn h MET 47 N 0.07 0.39 -1.86 0.20 2.86 0.24 -3.31 114.93 113.52 2ctn h MET 47 Ca 0.72 -0.66 -0.21 0.00 -2.06 0.00 0.00 59.70 57.49 2ctn h MET 47 Cb 2.61 0.25 -0.08 0.00 0.06 0.00 0.00 31.60 34.43 2ctn h MET 47 CO -0.13 1.31 0.10 1.28 1.06 0.00 0.00 176.91 180.53 2ctn n LEU 48 N -3.61 5.83 -2.63 1.22 7.99 0.24 -4.72 117.00 121.32 2ctn n LEU 48 Ca -0.12 -3.07 -0.17 0.00 -0.01 0.00 0.00 56.01 52.63 2ctn n LEU 48 Cb 1.06 -1.18 -0.00 0.00 -0.11 0.00 0.00 43.42 43.19 2ctn n LEU 48 CO 0.57 1.32 -0.15 0.61 -1.51 0.00 0.00 177.39 178.23 2ctn n GLY 49 N 1.27 -0.50 3.20 -0.72 0.00 -1.17 -4.94 105.19 102.32 2ctn n GLY 49 Ca 0.25 0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 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 -5.25 3.06 -0.37 1.61 -1.52 0.22 -4.99 119.66 112.42 2ctn s GLN 50 Ca 0.09 -0.84 0.13 0.00 -1.95 0.00 0.00 55.36 52.79 2ctn s GLN 50 Cb -0.04 -2.44 0.44 0.00 -0.22 0.00 0.00 33.01 30.75 2ctn s GLN 50 CO 0.11 0.03 0.99 -1.71 -0.25 0.00 0.00 175.29 174.46 2ctn n ASN 51 N 3.95 2.54 -4.71 5.90 5.15 -1.26 -0.81 115.26 126.01 2ctn n ASN 51 Ca -0.20 -3.08 -0.29 0.00 -0.60 0.00 0.00 54.58 50.42 2ctn n ASN 51 Cb 0.52 -0.51 0.16 0.00 -0.53 0.00 0.00 39.78 39.41 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 -3.22 0.70 0.57 1.20 0.04 -1.26 -5.05 135.00 127.98 2ctn s PRO 52 Ca 0.35 0.46 -0.01 0.00 0.04 0.00 0.00 61.00 61.84 2ctn s PRO 52 Cb 0.43 -1.77 0.03 0.00 0.04 0.00 0.00 34.50 33.23 2ctn s PRO 52 CO -0.05 -2.53 0.81 0.95 0.04 0.00 0.00 177.00 176.23 2ctn s THR 53 N -3.07 2.78 0.20 1.26 -4.23 -1.26 -4.94 115.64 106.39 2ctn s THR 53 Ca 0.65 -0.54 0.00 0.00 -1.18 0.00 0.00 61.69 60.62 2ctn s THR 53 Cb -0.17 -3.07 -0.07 0.00 1.34 0.00 0.00 72.50 70.53 2ctn s THR 53 CO 0.56 -0.06 1.50 1.55 -0.54 0.00 0.00 174.62 177.63 2ctn h PRO 54 N -0.03 0.38 -0.17 3.99 0.13 -1.97 -0.91 132.00 133.41 2ctn h PRO 54 Ca -0.43 -0.27 -0.14 0.00 -0.87 0.00 0.00 66.00 64.28 2ctn h PRO 54 Cb 1.29 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2ctn h PRO 54 CO 0.55 0.89 -0.45 0.93 -0.23 0.00 0.00 178.00 179.69 2ctn h GLU 55 N 0.28 0.61 -0.01 0.86 5.08 -2.01 -3.21 114.58 116.17 2ctn h GLU 55 Ca -0.01 -0.43 -0.16 0.00 -1.00 0.00 0.00 59.36 57.76 2ctn h GLU 55 Cb 1.17 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2ctn h GLU 55 CO 0.11 1.04 -0.73 0.93 -1.00 0.00 0.00 179.01 179.36 2ctn h GLU 56 N 0.28 0.10 -0.42 2.33 5.08 -1.96 -3.30 114.58 116.69 2ctn h GLU 56 Ca -0.01 -0.09 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 56 Cb 1.06 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 30.24 2ctn h GLU 56 CO 0.10 0.78 -0.40 -0.07 -1.00 0.00 0.00 179.01 178.41 2ctn h LEU 57 N 0.06 -1.35 -1.19 1.33 3.38 -1.16 0.23 115.31 116.61 2ctn h LEU 57 Ca -0.02 0.21 0.21 0.00 0.09 0.00 0.00 57.88 58.38 2ctn h LEU 57 Cb 1.29 0.60 -0.10 0.00 0.09 0.00 0.00 40.66 42.54 2ctn h LEU 57 CO 0.10 -0.36 0.62 -0.61 0.09 0.00 0.00 178.44 178.29 2ctn h GLN 58 N -0.30 0.59 -0.04 1.13 5.75 -1.65 0.25 115.11 120.84 2ctn h GLN 58 Ca 0.15 -0.04 -0.10 0.00 -0.15 0.00 0.00 58.65 58.51 2ctn h GLN 58 Cb 0.57 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.98 2ctn h GLN 58 CO -0.58 0.39 -0.45 1.49 -2.65 0.00 0.00 178.83 177.04 2ctn h GLU 59 N 0.61 0.10 0.42 1.69 4.81 -0.75 -2.22 114.58 119.24 2ctn h GLU 59 Ca 0.56 -0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.72 2ctn h GLU 59 Cb 1.08 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.47 2ctn h GLU 59 CO -0.32 0.53 -0.20 1.98 -0.73 0.00 0.00 179.01 180.27 2ctn h MET 60 N 0.08 -0.54 -0.56 1.92 4.05 0.83 -3.16 114.93 117.55 2ctn h MET 60 Ca 0.00 0.04 -0.04 0.00 -0.28 0.00 0.00 59.70 59.42 2ctn h MET 60 Cb 0.83 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.73 2ctn h MET 60 CO 0.06 -0.27 0.19 0.82 0.23 0.00 0.00 176.91 177.94 2ctn h ILE 61 N -0.73 1.23 -1.34 1.77 5.03 -1.51 -2.55 117.51 119.42 2ctn h ILE 61 Ca -0.06 -0.77 0.39 0.00 -0.12 0.00 0.00 64.86 64.30 2ctn h ILE 61 Cb 0.51 0.68 -0.05 0.00 -3.03 0.00 0.00 36.82 34.93 2ctn h ILE 61 CO 0.09 0.29 1.20 -0.78 -0.68 0.00 0.00 178.15 178.28 2ctn h ASP 62 N 0.78 0.00 0.10 1.72 3.58 -1.36 2.08 116.42 123.32 2ctn h ASP 62 Ca 0.18 0.00 -0.29 0.00 0.42 0.00 0.00 57.03 57.34 2ctn h ASP 62 Cb 0.26 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.30 2ctn h ASP 62 CO -0.01 0.00 -1.52 -0.33 -2.88 0.00 0.00 179.24 174.50 2ctn h GLU 63 N 0.00 0.22 0.00 0.28 4.39 -1.49 -3.37 114.58 114.61 2ctn h GLU 63 Ca 0.64 -0.38 -0.10 0.00 0.34 0.00 0.00 59.36 59.86 2ctn h GLU 63 Cb 3.03 0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 31.81 2ctn h GLU 63 CO -0.01 1.18 -0.66 -0.39 -1.16 0.00 0.00 179.01 177.98 2ctn h VAL 64 N -0.30 0.62 -3.19 3.13 -1.51 -0.07 -3.44 116.25 111.48 2ctn h VAL 64 Ca -0.33 -1.93 -0.56 0.00 -1.23 0.00 0.00 66.70 62.64 2ctn h VAL 64 Cb 1.77 2.23 -0.04 0.00 -2.13 0.00 0.00 31.29 33.12 2ctn h VAL 64 CO 0.03 0.35 0.63 -0.62 -1.23 0.00 0.00 177.57 176.74 2ctn s ASP 65 N -6.22 7.18 0.05 4.19 2.15 0.66 -4.90 116.67 119.78 2ctn s ASP 65 Ca 0.03 1.57 0.23 0.00 0.43 0.00 0.00 52.55 54.80 2ctn s ASP 65 Cb 0.08 -2.55 -0.03 0.00 -0.30 0.00 0.00 42.92 40.11 2ctn s ASP 65 CO 0.75 -0.51 0.94 -0.62 -0.17 0.00 0.00 175.17 175.56 2ctn n GLU 66 N 5.27 0.35 -0.31 4.34 -0.58 -1.26 -4.05 120.64 124.41 2ctn n GLU 66 Ca 0.10 -0.02 0.07 0.00 -0.42 0.00 0.00 57.16 56.89 2ctn n GLU 66 Cb 0.48 -1.60 0.22 0.00 -0.57 0.00 0.00 31.44 29.96 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 2ctn n ASP 67 N -2.04 3.46 -3.79 1.62 5.75 -1.26 -4.99 116.55 115.29 2ctn n ASP 67 Ca 0.01 -2.29 -0.31 0.00 -0.01 0.00 0.00 54.79 52.19 2ctn n ASP 67 Cb 0.46 -0.37 0.02 0.00 -1.03 0.00 0.00 41.12 40.20 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 0.44 -1.09 0.00 6.12 0.00 -1.26 -4.87 105.19 104.53 2ctn n GLY 68 Ca 0.17 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.66 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 -2.41 0.81 -2.31 1.61 3.41 -1.26 -4.98 113.62 108.50 2ctn n SER 69 Ca -0.17 -0.97 -0.13 0.00 -0.26 0.00 0.00 58.87 57.34 2ctn n SER 69 Cb 0.61 0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.59 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 0.04 -0.29 3.29 5.00 0.00 -1.26 -4.93 105.19 107.04 2ctn n GLY 70 Ca 0.00 0.00 -0.27 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 -2.57 1.83 -0.05 2.61 -4.23 -1.26 -2.05 115.64 109.93 2ctn s THR 71 Ca 0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 2ctn s THR 71 Cb 0.00 -1.61 0.02 0.00 1.34 0.00 0.00 72.50 72.26 2ctn s THR 71 CO 0.00 0.18 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.53 2ctn s VAL 72 N -0.90 0.51 0.00 2.29 1.01 -0.92 -4.88 120.40 117.51 2ctn s VAL 72 Ca 0.09 -0.09 0.00 0.00 0.00 0.00 0.00 61.98 61.97 2ctn s VAL 72 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2ctn s VAL 72 CO 0.03 0.22 0.00 -0.67 0.00 0.00 0.00 175.10 174.68 2ctn n ASP 73 N 4.13 1.14 0.25 3.32 -0.08 -1.26 0.10 116.55 124.15 2ctn n ASP 73 Ca -0.24 0.00 0.16 0.00 -1.51 0.00 0.00 54.79 53.21 2ctn n ASP 73 Cb 0.51 0.00 0.88 0.00 2.34 0.00 0.00 41.12 44.84 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 0.12 0.00 0.00 177.20 177.47 2ctn h PHE 74 N 0.00 0.00 0.00 -0.67 3.57 -2.00 -1.16 116.94 116.68 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 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2ctn h PHE 74 CO 0.00 0.00 -0.19 -0.25 -2.23 0.00 0.00 178.31 175.64 2ctn n ASP 75 N -2.65 0.52 -0.34 0.41 8.00 -1.26 -4.04 116.55 117.19 2ctn n ASP 75 Ca -0.02 0.27 0.19 0.00 0.71 0.00 0.00 54.79 55.94 2ctn n ASP 75 Cb 0.08 -0.59 0.42 0.00 -0.02 0.00 0.00 41.12 41.01 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 -0.28 0.53 0.26 -1.24 5.08 -1.91 -1.69 114.58 115.33 2ctn h GLU 76 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 76 Cb 0.19 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.28 2ctn h GLU 76 CO 0.00 0.35 -0.49 0.35 -1.00 0.00 0.00 179.01 178.22 2ctn h PHE 77 N 0.54 -1.38 0.00 4.33 3.57 -1.42 0.17 116.94 122.75 2ctn h PHE 77 Ca 0.61 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 62.14 2ctn h PHE 77 Cb 1.27 0.57 -0.00 0.00 2.79 0.00 0.00 35.95 40.58 2ctn h PHE 77 CO -0.00 -0.59 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.41 2ctn h LEU 78 N -0.80 0.00 -0.43 0.59 3.38 -1.49 -0.27 115.31 116.30 2ctn h LEU 78 Ca -0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2ctn h LEU 78 Cb 0.75 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.50 2ctn h LEU 78 CO -0.18 0.01 0.00 0.58 0.09 0.00 0.00 178.44 178.94 2ctn h VAL 79 N 0.00 0.00 0.15 1.22 2.07 -0.17 -3.26 116.25 116.26 2ctn h VAL 79 Ca -0.00 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.66 2ctn h VAL 79 Cb 0.11 1.85 0.00 0.00 -1.52 0.00 0.00 31.29 31.73 2ctn h VAL 79 CO 0.00 0.00 -0.07 0.24 0.02 0.00 0.00 177.57 177.76 2ctn h MET 80 N 0.00 -0.19 -1.20 1.57 2.86 0.35 -3.26 114.93 115.06 2ctn h MET 80 Ca 0.00 0.01 0.34 0.00 -2.06 0.00 0.00 59.70 58.00 2ctn h MET 80 Cb 0.85 0.04 -0.07 0.00 0.06 0.00 0.00 31.60 32.49 2ctn h MET 80 CO 0.00 -0.13 0.83 0.00 1.06 0.00 0.00 176.91 178.68 2ctn h MET 81 N -0.92 0.11 0.07 1.72 3.00 -1.68 0.92 114.93 118.15 2ctn h MET 81 Ca -0.02 -0.01 -0.00 0.00 0.00 0.00 0.00 59.70 59.67 2ctn h MET 81 Cb 0.15 -0.02 -0.00 0.00 0.00 0.00 0.00 31.60 31.73 2ctn h MET 81 CO 0.03 0.07 -0.04 0.28 0.00 0.00 0.00 176.91 177.25 2ctn h VAL 82 N 0.11 0.90 0.00 -0.10 2.07 -1.62 1.88 116.25 119.49 2ctn h VAL 82 Ca 0.61 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 68.07 2ctn h VAL 82 Cb 2.17 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 32.83 2ctn h VAL 82 CO -0.11 0.00 -0.31 0.03 0.02 0.00 0.00 177.57 177.20 2ctn h ARG 83 N -0.11 0.00 0.00 1.57 3.08 -0.89 -2.71 114.38 115.33 2ctn h ARG 83 Ca -0.00 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.01 2ctn h ARG 83 Cb 0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 2ctn h ARG 83 CO 0.00 0.31 -1.02 0.77 -1.07 0.00 0.00 179.97 178.96 2ctn h SER 84 N 0.00 0.00 -3.10 7.04 0.02 -0.75 -3.39 113.55 113.37 2ctn h SER 84 Ca -0.00 0.00 -0.78 0.00 -0.84 0.00 0.00 61.79 60.16 2ctn h SER 84 Cb 0.62 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 62.86 2ctn h SER 84 CO 0.04 0.13 0.51 0.23 -1.14 0.00 0.00 176.83 176.60 2ctn n MET 85 N -2.76 3.90 -0.05 3.45 2.81 0.63 -5.03 117.12 120.08 2ctn n MET 85 Ca -0.02 -4.53 0.00 0.00 -1.81 0.00 0.00 57.70 51.34 2ctn n MET 85 Cb 0.61 -2.50 0.00 0.00 -0.71 0.00 0.00 33.22 30.63 2ctn n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ctn n LYS 86 N 1.78 0.24 -0.02 0.03 5.02 -1.26 -4.82 118.16 119.14 2ctn n LYS 86 Ca 0.25 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.53 2ctn n LYS 86 Cb 0.36 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.35 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2ctn n ASP 87 N -2.51 4.14 -0.71 4.39 -0.08 -1.26 -4.75 116.55 115.78 2ctn n ASP 87 Ca 0.00 -0.00 0.06 0.00 -1.51 0.00 0.00 54.79 53.33 2ctn n ASP 87 Cb 0.00 0.44 0.12 0.00 2.34 0.00 0.00 41.12 44.02 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ctn n ASP 88 N -2.22 1.46 0.00 1.67 -0.08 -1.26 -5.33 116.55 110.78 2ctn n ASP 88 Ca -0.05 -3.03 0.00 0.00 -1.51 0.00 0.00 54.79 50.19 2ctn n ASP 88 Cb 0.59 -0.41 0.00 0.00 2.34 0.00 0.00 41.12 43.64 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78