#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 -4.55 -0.05 0.00 8.00 -1.26 -4.88 116.55 113.82 2ctn n ASP 3 Ca 0.00 -1.19 -0.13 0.00 0.71 0.00 0.00 54.79 54.18 2ctn n ASP 3 Cb 0.00 -2.09 -0.12 0.00 -0.02 0.00 0.00 41.12 38.89 2ctn n ASP 3 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 2ctn h ILE 4 N -2.18 1.63 0.13 0.53 2.04 -2.06 -3.30 117.51 114.30 2ctn h ILE 4 Ca -0.69 -1.91 -0.28 0.00 1.00 0.00 0.00 64.86 62.98 2ctn h ILE 4 Cb 1.39 2.92 0.02 0.00 -0.74 0.00 0.00 36.82 40.41 2ctn h ILE 4 CO 0.49 0.49 -1.23 1.88 0.00 0.00 0.00 178.15 179.78 2ctn h TYR 5 N -0.82 0.71 -0.80 1.37 0.05 -1.97 -3.31 116.97 112.19 2ctn h TYR 5 Ca -0.00 -0.48 0.17 0.00 0.05 0.00 0.00 58.73 58.47 2ctn h TYR 5 Cb 0.81 -0.04 -0.15 0.00 1.01 0.00 0.00 36.73 38.36 2ctn h TYR 5 CO 0.21 1.35 -0.12 -0.22 -1.05 0.00 0.00 178.16 178.32 2ctn h LYS 6 N 0.16 0.03 -0.83 4.88 3.11 -1.94 0.27 116.57 122.24 2ctn h LYS 6 Ca -0.16 -0.00 0.21 0.00 -2.81 0.00 0.00 60.65 57.89 2ctn h LYS 6 Cb 1.93 -0.01 -0.14 0.00 -1.00 0.00 0.00 32.23 33.01 2ctn h LYS 6 CO 0.22 0.02 0.11 0.00 -2.81 0.00 0.00 179.45 176.99 2ctn h ALA 7 N 1.78 1.04 0.35 5.00 0.00 -1.65 -0.39 119.26 125.39 2ctn h ALA 7 Ca 0.41 0.24 -0.02 0.00 0.00 0.00 0.00 54.91 55.54 2ctn h ALA 7 Cb 0.67 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.85 2ctn h ALA 7 CO -0.78 -0.45 -0.17 0.00 0.00 0.00 0.00 179.25 177.85 2ctn h ALA 8 N 1.76 -0.46 -0.15 0.00 0.00 -0.68 -2.60 119.26 117.13 2ctn h ALA 8 Ca 0.49 -0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.26 2ctn h ALA 8 Cb 0.94 0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 2ctn h ALA 8 CO -0.68 -0.57 0.54 0.28 0.00 0.00 0.00 179.25 178.81 2ctn h VAL 9 N -0.84 0.08 0.13 0.00 2.07 -0.65 0.46 116.25 117.50 2ctn h VAL 9 Ca -0.05 0.00 -0.30 0.00 0.82 0.00 0.00 66.70 67.17 2ctn h VAL 9 Cb 0.53 0.50 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 2ctn h VAL 9 CO 0.08 0.00 -1.48 -0.08 0.02 0.00 0.00 177.57 176.11 2ctn h GLU 10 N 0.00 0.27 -0.60 1.57 4.81 -0.80 -3.25 114.58 116.58 2ctn h GLU 10 Ca 0.07 -0.45 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2ctn h GLU 10 Cb 1.14 0.17 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2ctn h GLU 10 CO -0.00 1.15 0.00 1.04 -0.73 0.00 0.00 179.01 180.47 2ctn n GLN 11 N -3.48 1.97 -0.45 1.92 6.02 0.16 -4.89 117.38 118.63 2ctn n GLN 11 Ca -0.15 -0.96 -0.10 0.00 -0.01 0.00 0.00 57.00 55.77 2ctn n GLN 11 Cb 1.04 -1.51 0.08 0.00 1.02 0.00 0.00 30.24 30.88 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 0.21 0.00 -4.49 1.08 4.77 -0.92 -5.06 117.00 112.59 2ctn n LEU 12 Ca 0.09 -0.43 -0.31 0.00 -0.03 0.00 0.00 56.01 55.32 2ctn n LEU 12 Cb 0.41 -0.35 -0.12 0.00 -2.33 0.00 0.00 43.42 41.03 2ctn n LEU 12 CO 0.08 -1.24 -0.47 0.42 -1.33 0.00 0.00 177.39 174.86 2ctn s THR 13 N -1.78 2.98 0.56 -5.08 -4.23 -1.26 -4.98 115.64 101.85 2ctn s THR 13 Ca 0.25 -1.10 0.41 0.00 -1.18 0.00 0.00 61.69 60.07 2ctn s THR 13 Cb -0.02 -2.27 0.61 0.00 1.34 0.00 0.00 72.50 72.16 2ctn s THR 13 CO 0.19 0.34 1.67 -0.33 -0.54 0.00 0.00 174.62 175.95 2ctn h GLU 14 N 4.51 0.00 -0.04 3.99 5.08 -1.99 1.31 114.58 127.45 2ctn h GLU 14 Ca -0.48 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.78 2ctn h GLU 14 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.39 2ctn h GLU 14 CO 0.49 0.00 -0.47 0.93 -1.00 0.00 0.00 179.01 178.96 2ctn h GLU 15 N 0.00 0.09 0.03 2.33 4.39 -1.99 -1.26 114.58 118.17 2ctn h GLU 15 Ca 0.70 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 60.31 2ctn h GLU 15 Cb 2.90 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.56 2ctn h GLU 15 CO -0.01 0.54 -0.19 1.96 -1.16 0.00 0.00 179.01 180.15 2ctn h GLN 16 N 0.07 0.06 0.23 2.33 1.08 0.13 -3.05 115.11 115.97 2ctn h GLN 16 Ca 0.00 -0.11 -0.01 0.00 -1.45 0.00 0.00 58.65 57.08 2ctn h GLN 16 Cb 0.86 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.33 2ctn h GLN 16 CO 0.06 1.05 -0.11 0.87 -0.95 0.00 0.00 178.83 179.76 2ctn h LYS 17 N -0.87 -0.30 -0.92 1.46 1.57 -1.47 0.40 116.57 116.44 2ctn h LYS 17 Ca -0.03 0.02 0.15 0.00 -1.87 0.00 0.00 60.65 58.92 2ctn h LYS 17 Cb 1.14 0.07 -0.10 0.00 0.08 0.00 0.00 32.23 33.42 2ctn h LYS 17 CO 0.03 -0.10 0.52 -0.91 -0.57 0.00 0.00 179.45 178.42 2ctn h ASN 18 N -0.45 0.67 1.62 0.86 2.35 -1.39 0.42 115.58 119.66 2ctn h ASN 18 Ca -0.03 0.09 -0.08 0.00 -0.55 0.00 0.00 56.30 55.73 2ctn h ASN 18 Cb 0.34 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2ctn h ASN 18 CO 0.05 0.28 -0.38 -0.08 -1.65 0.00 0.00 177.43 175.66 2ctn h GLU 19 N 0.73 0.00 0.00 0.81 4.81 -1.38 -2.83 114.58 116.71 2ctn h GLU 19 Ca 0.50 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.72 2ctn h GLU 19 Cb 0.69 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.07 2ctn h GLU 19 CO -0.35 0.36 -0.14 0.74 -0.73 0.00 0.00 179.01 178.89 2ctn h PHE 20 N 0.00 0.00 0.11 0.92 -1.00 0.22 -3.08 116.94 114.11 2ctn h PHE 20 Ca -0.01 0.00 0.01 0.00 2.81 0.00 0.00 57.97 60.78 2ctn h PHE 20 Cb 1.28 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.83 2ctn h PHE 20 CO 0.00 0.15 -0.12 0.87 -1.61 0.00 0.00 178.31 177.59 2ctn h LYS 21 N -1.00 -0.26 -0.21 1.51 1.57 -0.45 -2.81 116.57 114.93 2ctn h LYS 21 Ca -0.01 0.02 0.06 0.00 -1.87 0.00 0.00 60.65 58.84 2ctn h LYS 21 Cb 0.24 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.54 2ctn h LYS 21 CO -0.01 -0.17 -0.32 0.00 -0.57 0.00 0.00 179.45 178.38 2ctn h ALA 22 N 0.60 -0.31 -0.76 3.86 0.00 -1.65 -1.40 119.26 119.60 2ctn h ALA 22 Ca 0.01 0.05 0.16 0.00 0.00 0.00 0.00 54.91 55.12 2ctn h ALA 22 Cb 0.26 0.63 -0.14 0.00 0.00 0.00 0.00 17.79 18.54 2ctn h ALA 22 CO -0.04 -0.77 -0.16 0.00 0.00 0.00 0.00 179.25 178.28 2ctn h ALA 23 N 0.52 0.54 -0.96 0.00 0.00 -1.42 0.42 119.26 118.37 2ctn h ALA 23 Ca 0.12 0.29 0.06 0.00 0.00 0.00 0.00 54.91 55.38 2ctn h ALA 23 Cb 0.54 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 18.82 2ctn h ALA 23 CO -0.40 -0.42 0.62 0.35 0.00 0.00 0.00 179.25 179.40 2ctn h PHE 24 N 0.01 1.13 0.00 0.00 3.04 -1.02 0.16 116.94 120.26 2ctn h PHE 24 Ca 0.37 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.35 2ctn h PHE 24 Cb 0.58 -0.37 0.00 0.00 2.56 0.00 0.00 35.95 38.72 2ctn h PHE 24 CO -0.57 0.60 0.00 -3.47 -2.02 0.00 0.00 178.31 172.84 2ctn n ASP 25 N -4.49 0.47 -0.01 0.41 -0.08 0.14 -1.32 116.55 111.68 2ctn n ASP 25 Ca 0.14 0.61 0.07 0.00 -1.51 0.00 0.00 54.79 54.11 2ctn n ASP 25 Cb 0.18 -0.71 -0.11 0.00 2.34 0.00 0.00 41.12 42.82 2ctn n ASP 25 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2ctn n ILE 26 N -2.02 0.00 0.23 5.18 5.41 0.08 -4.50 119.36 123.74 2ctn n ILE 26 Ca 0.03 -0.31 0.11 0.00 1.00 0.00 0.00 62.75 63.58 2ctn n ILE 26 Cb 0.22 0.26 -0.15 0.00 -0.71 0.00 0.00 39.64 39.26 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 -1.92 0.02 1.72 1.39 3.72 0.33 -4.12 117.46 118.59 2ctn n PHE 27 Ca -0.02 0.01 0.15 0.00 -0.05 0.00 0.00 57.45 57.53 2ctn n PHE 27 Cb 0.35 -0.39 0.71 0.00 -0.94 0.00 0.00 39.48 39.21 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 -2.09 0.00 -0.27 -4.37 0.31 -0.43 -3.97 118.33 107.51 2ctn n VAL 28 Ca -0.02 -0.13 0.27 0.00 -0.01 0.00 0.00 64.34 64.45 2ctn n VAL 28 Cb 0.51 0.04 0.63 0.00 -0.91 0.00 0.00 33.84 34.11 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 1.25 0.20 -2.90 7.52 -0.00 -1.79 0.47 115.31 120.06 2ctn h LEU 29 Ca 0.00 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.91 2ctn h LEU 29 Cb 0.27 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2ctn h LEU 29 CO 0.00 0.05 0.00 0.61 -0.00 0.00 0.00 178.44 179.10 2ctn n GLY 30 N -1.62 2.79 3.05 0.83 0.00 -1.25 -5.04 105.19 103.95 2ctn n GLY 30 Ca 0.22 -0.32 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 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 0.37 -2.31 -0.11 4.61 0.00 0.16 -4.94 120.51 118.29 2ctn n ALA 31 Ca 0.10 -1.07 -0.19 0.00 0.00 0.00 0.00 53.44 52.27 2ctn n ALA 31 Cb 0.40 -0.91 -0.12 0.00 0.00 0.00 0.00 19.45 18.81 2ctn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ctn n GLU 32 N -0.22 0.66 -2.79 0.00 1.02 -1.26 -4.70 120.64 113.36 2ctn n GLU 32 Ca 0.01 0.18 -0.02 0.00 -0.02 0.00 0.00 57.16 57.32 2ctn n GLU 32 Cb 0.49 -1.55 0.05 0.00 -0.02 0.00 0.00 31.44 30.41 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2ctn n ASP 33 N -3.39 1.72 -1.00 1.62 8.00 -1.26 -4.94 116.55 117.30 2ctn n ASP 33 Ca -0.44 -2.17 -0.05 0.00 0.71 0.00 0.00 54.79 52.84 2ctn n ASP 33 Cb 0.99 -0.48 0.01 0.00 -0.02 0.00 0.00 41.12 41.62 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 -0.55 0.46 0.86 0.44 0.00 -1.26 -5.03 105.19 100.11 2ctn n GLY 34 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 46.02 45.54 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 0.65 -0.37 -3.86 1.61 7.64 -1.26 -4.82 113.62 113.21 2ctn n SER 35 Ca -0.02 -1.47 -0.29 0.00 1.01 0.00 0.00 58.87 58.10 2ctn n SER 35 Cb 0.52 0.68 -0.16 0.00 -1.01 0.00 0.00 64.21 64.24 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 -2.56 1.13 0.47 0.44 1.01 0.35 -4.28 121.20 117.77 2ctn s ILE 36 Ca 0.07 -0.93 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2ctn s ILE 36 Cb -0.00 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.91 2ctn s ILE 36 CO 0.05 -0.12 0.95 -0.55 0.00 0.00 0.00 174.94 175.27 2ctn s SER 37 N 1.58 6.71 0.60 3.58 0.15 -1.26 0.84 113.70 125.89 2ctn s SER 37 Ca -0.03 1.55 0.30 0.00 0.70 0.00 0.00 55.95 58.46 2ctn s SER 37 Cb -0.18 -2.50 1.20 0.00 -1.71 0.00 0.00 66.02 62.84 2ctn s SER 37 CO -0.07 -0.49 1.55 0.00 1.20 0.00 0.00 173.24 175.43 2ctn h THR 38 N 1.24 0.14 0.00 6.45 1.03 -1.07 2.49 112.91 123.19 2ctn h THR 38 Ca -0.47 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.70 2ctn h THR 38 Cb 1.18 0.24 -0.04 0.00 -1.07 0.00 0.00 68.15 68.47 2ctn h THR 38 CO 0.62 0.00 -1.21 0.50 -0.01 0.00 0.00 175.52 175.42 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 1.63 -1.90 -3.16 116.57 113.14 2ctn h LYS 39 Ca 0.43 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.23 2ctn h LYS 39 Cb 2.34 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 33.97 2ctn h LYS 39 CO -0.00 0.78 -1.45 -1.91 -3.45 0.00 0.00 179.45 173.41 2ctn n GLU 40 N -3.23 0.58 0.10 1.90 4.07 0.49 -4.34 120.64 120.22 2ctn n GLU 40 Ca -0.06 -0.10 -0.15 0.00 -0.06 0.00 0.00 57.16 56.80 2ctn n GLU 40 Cb 0.96 -1.45 -0.14 0.00 -0.06 0.00 0.00 31.44 30.75 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 0.37 -0.63 4.31 7.12 0.34 -3.33 115.31 123.49 2ctn h LEU 41 Ca 0.00 -0.39 0.13 0.00 0.13 0.00 0.00 57.88 57.74 2ctn h LEU 41 Cb 0.70 -0.12 -0.12 0.00 -0.53 0.00 0.00 40.66 40.60 2ctn h LEU 41 CO 0.00 1.31 -0.14 1.23 -0.13 0.00 0.00 178.44 180.71 2ctn h GLY 42 N 1.79 0.47 0.81 3.75 0.00 -1.74 0.48 103.07 108.63 2ctn h GLY 42 Ca -0.12 0.20 0.14 0.00 0.00 0.00 0.00 47.33 47.55 2ctn h GLY 42 CO 0.19 -0.24 0.45 1.70 0.00 0.00 0.00 176.54 178.65 2ctn h LYS 43 N 0.01 0.27 0.29 4.80 3.64 -1.82 -2.31 116.57 121.46 2ctn h LYS 43 Ca 0.30 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.65 2ctn h LYS 43 Cb 0.47 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2ctn h LYS 43 CO -0.64 0.18 -0.14 0.28 -2.27 0.00 0.00 179.45 176.86 2ctn h VAL 44 N 0.28 0.69 -0.74 2.00 2.07 -0.21 -3.21 116.25 117.13 2ctn h VAL 44 Ca 0.32 -0.67 0.15 0.00 0.82 0.00 0.00 66.70 67.32 2ctn h VAL 44 Cb 0.87 1.02 -0.14 0.00 -1.52 0.00 0.00 31.29 31.52 2ctn h VAL 44 CO -0.08 0.13 -0.20 0.24 0.02 0.00 0.00 177.57 177.68 2ctn h MET 45 N -0.78 -0.01 -0.73 1.57 2.86 -0.93 0.93 114.93 117.83 2ctn h MET 45 Ca -0.04 0.00 0.21 0.00 -2.06 0.00 0.00 59.70 57.81 2ctn h MET 45 Cb 0.51 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.14 2ctn h MET 45 CO 0.07 -0.01 0.62 -0.09 1.06 0.00 0.00 176.91 178.55 2ctn h ARG 46 N -0.01 0.00 0.00 1.72 2.43 -1.51 0.81 114.38 117.82 2ctn h ARG 46 Ca 0.35 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.52 2ctn h ARG 46 Cb 0.55 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.10 2ctn h ARG 46 CO -0.77 0.00 -0.00 0.00 -1.51 0.00 0.00 179.97 177.69 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 0.87 -3.14 114.93 112.86 2ctn h MET 47 Ca 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 60.05 2ctn h MET 47 Cb 1.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.17 2ctn h MET 47 CO -0.00 0.00 -0.55 1.28 -0.00 0.00 0.00 176.91 177.64 2ctn n LEU 48 N -2.87 0.59 0.00 -0.10 4.77 0.28 -4.91 117.00 114.76 2ctn n LEU 48 Ca 0.04 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.19 2ctn n LEU 48 Cb 0.50 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.37 2ctn n LEU 48 CO 0.33 0.01 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2ctn n GLY 49 N 1.40 1.88 3.66 -0.72 0.00 -0.99 -5.12 105.19 105.30 2ctn n GLY 49 Ca 0.04 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.51 2.09 -0.42 1.61 -1.52 -1.09 -5.02 119.66 114.80 2ctn s GLN 50 Ca 0.00 -1.85 0.09 0.00 -1.95 0.00 0.00 55.36 51.65 2ctn s GLN 50 Cb 0.00 -1.88 0.33 0.00 -0.22 0.00 0.00 33.01 31.24 2ctn s GLN 50 CO 0.00 0.02 0.91 -1.71 -0.25 0.00 0.00 175.29 174.26 2ctn n ASN 51 N -1.04 -0.80 -2.72 5.90 4.05 -1.26 -4.00 115.26 115.39 2ctn n ASN 51 Ca -0.03 -3.34 -0.08 0.00 0.45 0.00 0.00 54.58 51.58 2ctn n ASN 51 Cb 0.64 0.65 0.06 0.00 1.23 0.00 0.00 39.78 42.37 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 0.40 -1.30 -4.58 1.20 -0.04 -1.26 -5.08 135.00 124.34 2ctn n PRO 52 Ca 0.15 -0.48 -0.27 0.00 -0.04 0.00 0.00 63.50 62.86 2ctn n PRO 52 Cb 0.67 -0.42 -0.11 0.00 -0.04 0.00 0.00 33.50 33.61 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 -1.59 2.05 -0.60 0.52 -4.23 -1.26 -5.01 115.64 105.53 2ctn s THR 53 Ca 0.19 -2.08 0.22 0.00 -1.18 0.00 0.00 61.69 58.83 2ctn s THR 53 Cb -0.02 -2.84 0.22 0.00 1.34 0.00 0.00 72.50 71.21 2ctn s THR 53 CO 0.14 -0.09 1.66 -0.81 -0.54 0.00 0.00 174.62 174.99 2ctn n PRO 54 N -0.88 0.15 -0.07 3.99 -0.04 -1.26 -2.37 135.00 134.53 2ctn n PRO 54 Ca -0.05 0.38 -0.11 0.00 -0.04 0.00 0.00 63.50 63.68 2ctn n PRO 54 Cb 0.65 -1.79 -0.08 0.00 -0.04 0.00 0.00 33.50 32.24 2ctn n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ctn h GLU 55 N 0.00 0.00 0.00 0.54 4.39 -2.01 -3.33 114.58 114.16 2ctn h GLU 55 Ca 0.00 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2ctn h GLU 55 Cb 0.35 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 2ctn h GLU 55 CO 0.00 0.63 -0.09 0.93 -1.16 0.00 0.00 179.01 179.33 2ctn h GLU 56 N -1.00 0.00 0.00 2.33 3.07 -1.96 -3.09 114.58 113.93 2ctn h GLU 56 Ca -0.08 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2ctn h GLU 56 Cb 0.77 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 2ctn h GLU 56 CO -0.05 0.09 0.00 -0.11 -1.40 0.00 0.00 179.01 177.54 2ctn n LEU 57 N -3.89 0.00 0.32 1.33 7.94 -1.00 0.24 117.00 121.94 2ctn n LEU 57 Ca -0.02 0.94 0.20 0.00 -1.11 0.00 0.00 56.01 56.02 2ctn n LEU 57 Cb 0.18 -0.44 1.10 0.00 0.53 0.00 0.00 43.42 44.79 2ctn n LEU 57 CO 0.31 -0.44 1.16 -0.61 -1.11 0.00 0.00 177.39 176.70 2ctn h GLN 58 N 0.00 0.00 0.00 1.96 5.75 -1.73 -0.10 115.11 121.00 2ctn h GLN 58 Ca 0.00 0.00 -0.03 0.00 -0.15 0.00 0.00 58.65 58.47 2ctn h GLN 58 Cb 0.00 0.00 -0.00 0.00 1.07 0.00 0.00 27.48 28.55 2ctn h GLN 58 CO 0.00 0.00 -0.43 1.49 -2.65 0.00 0.00 178.83 177.24 2ctn h GLU 59 N 0.00 0.00 0.12 1.69 4.22 -0.62 -2.89 114.58 117.10 2ctn h GLU 59 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 2ctn h GLU 59 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ctn h GLU 59 CO 0.00 0.11 -0.06 0.52 -2.18 0.00 0.00 179.01 177.41 2ctn h MET 60 N 0.00 -0.15 -0.56 1.92 2.86 0.50 -3.23 114.93 116.28 2ctn h MET 60 Ca -0.01 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 2ctn h MET 60 Cb 1.11 0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.78 2ctn h MET 60 CO 0.02 -0.01 0.29 0.82 1.06 0.00 0.00 176.91 179.09 2ctn h ILE 61 N -1.03 1.19 -0.12 -1.22 5.03 -1.68 -1.56 117.51 118.12 2ctn h ILE 61 Ca -0.02 -0.51 0.03 0.00 -0.12 0.00 0.00 64.86 64.25 2ctn h ILE 61 Cb 0.22 0.51 -0.00 0.00 -3.03 0.00 0.00 36.82 34.51 2ctn h ILE 61 CO 0.03 0.21 0.35 0.44 -0.68 0.00 0.00 178.15 178.50 2ctn h ASP 62 N 0.75 0.00 0.00 1.72 5.19 -1.65 1.93 116.42 124.36 2ctn h ASP 62 Ca 0.19 0.00 -0.23 0.00 -0.62 0.00 0.00 57.03 56.38 2ctn h ASP 62 Cb 0.07 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 39.55 2ctn h ASP 62 CO -0.03 0.00 -1.23 -0.33 -3.12 0.00 0.00 179.24 174.53 2ctn h GLU 63 N 0.00 0.00 0.15 3.56 5.08 -1.31 -3.40 114.58 118.66 2ctn h GLU 63 Ca 0.06 -0.01 -0.30 0.00 -1.00 0.00 0.00 59.36 58.11 2ctn h GLU 63 Cb 0.75 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2ctn h GLU 63 CO -0.00 1.00 -1.39 -0.39 -1.00 0.00 0.00 179.01 177.23 2ctn h VAL 64 N -0.99 1.33 -3.40 3.13 -1.51 -0.94 -3.45 116.25 110.41 2ctn h VAL 64 Ca -0.34 -2.90 -0.54 0.00 -1.23 0.00 0.00 66.70 61.69 2ctn h VAL 64 Cb 1.30 2.89 0.09 0.00 -2.13 0.00 0.00 31.29 33.45 2ctn h VAL 64 CO -0.20 0.85 0.85 -0.67 -1.23 0.00 0.00 177.57 177.17 2ctn n ASP 65 N -3.54 3.80 -0.89 4.19 -0.08 0.65 -4.88 116.55 115.80 2ctn n ASP 65 Ca -0.13 1.17 0.12 0.00 -1.51 0.00 0.00 54.79 54.43 2ctn n ASP 65 Cb 1.05 -1.59 0.26 0.00 2.34 0.00 0.00 41.12 43.18 2ctn n ASP 65 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 2ctn n GLU 66 N 1.75 2.18 0.00 -0.67 -0.58 -1.26 -4.02 120.64 118.04 2ctn n GLU 66 Ca 0.07 -1.76 0.00 0.00 -0.42 0.00 0.00 57.16 55.05 2ctn n GLU 66 Cb 0.37 -1.47 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 1.02 1.52 -4.05 1.62 5.68 -1.26 -5.01 116.55 116.07 2ctn n ASP 67 Ca 0.17 -1.59 -0.34 0.00 -0.50 0.00 0.00 54.79 52.54 2ctn n ASP 67 Cb 0.51 0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.46 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 -0.29 -0.49 0.03 6.12 0.00 -1.26 -4.84 105.19 104.46 2ctn n GLY 68 Ca 0.00 0.26 -0.02 0.00 0.00 0.00 0.00 46.02 46.26 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 -2.67 3.11 0.00 1.61 3.41 -1.26 -5.01 113.62 112.81 2ctn n SER 69 Ca -0.23 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 2ctn n SER 69 Cb 0.64 0.84 0.00 0.00 -0.26 0.00 0.00 64.21 65.43 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 2.42 0.56 3.50 5.00 0.00 -1.26 -4.97 105.19 110.44 2ctn n GLY 70 Ca -0.10 -0.80 -0.33 0.00 0.00 0.00 0.00 46.02 44.80 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 -2.00 3.17 -0.11 2.61 -4.23 -1.26 -0.37 115.64 113.45 2ctn s THR 71 Ca 0.00 -0.76 0.02 0.00 -1.18 0.00 0.00 61.69 59.77 2ctn s THR 71 Cb 0.00 -2.28 0.01 0.00 1.34 0.00 0.00 72.50 71.57 2ctn s THR 71 CO 0.00 0.54 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.76 2ctn s VAL 72 N -0.80 1.58 0.00 2.29 1.01 0.25 -4.92 120.40 119.81 2ctn s VAL 72 Ca 0.13 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2ctn s VAL 72 Cb -0.11 -1.43 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2ctn s VAL 72 CO 0.02 0.46 0.00 -0.90 0.00 0.00 0.00 175.10 174.68 2ctn n ASP 73 N 4.08 0.05 0.03 3.32 5.75 -1.26 0.13 116.55 128.65 2ctn n ASP 73 Ca -0.20 0.00 0.07 0.00 -0.01 0.00 0.00 54.79 54.66 2ctn n ASP 73 Cb 0.51 0.00 0.32 0.00 -1.03 0.00 0.00 41.12 40.93 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -0.11 0.00 0.00 177.20 177.42 2ctn n PHE 74 N 0.00 0.19 -0.04 2.11 7.35 -1.26 -2.44 117.46 123.38 2ctn n PHE 74 Ca 0.00 0.08 -0.04 0.00 -0.76 0.00 0.00 57.45 56.73 2ctn n PHE 74 Cb 0.00 -0.63 -0.01 0.00 0.35 0.00 0.00 39.48 39.19 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 -1.68 0.84 -0.33 -2.13 9.92 -1.26 -4.15 116.55 117.76 2ctn n ASP 75 Ca 0.03 0.14 0.36 0.00 -0.53 0.00 0.00 54.79 54.79 2ctn n ASP 75 Cb 0.16 -0.59 0.74 0.00 -0.64 0.00 0.00 41.12 40.79 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.13 0.00 0.00 177.20 177.00 2ctn h GLU 76 N -0.43 0.00 0.01 -1.24 5.08 -1.92 -1.89 114.58 114.20 2ctn h GLU 76 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ctn h GLU 76 Cb 0.43 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.68 2ctn h GLU 76 CO 0.00 0.00 -0.00 0.35 -1.00 0.00 0.00 179.01 178.36 2ctn h PHE 77 N 0.00 -0.01 -0.36 4.33 3.57 -1.69 0.22 116.94 123.00 2ctn h PHE 77 Ca 0.58 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 62.18 2ctn h PHE 77 Cb 2.42 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 41.15 2ctn h PHE 77 CO 0.00 -0.01 0.64 -0.07 -2.23 0.00 0.00 178.31 176.65 2ctn h LEU 78 N -0.01 0.00 0.00 0.59 3.38 -1.56 1.60 115.31 119.31 2ctn h LEU 78 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2ctn h LEU 78 Cb 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2ctn h LEU 78 CO 0.00 0.00 -0.72 0.58 0.09 0.00 0.00 178.44 178.39 2ctn h VAL 79 N 0.00 0.17 0.00 1.22 2.07 -1.07 -3.25 116.25 115.39 2ctn h VAL 79 Ca 0.17 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2ctn h VAL 79 Cb 1.45 1.83 0.00 0.00 -1.52 0.00 0.00 31.29 33.05 2ctn h VAL 79 CO -0.00 0.10 0.00 0.80 0.02 0.00 0.00 177.57 178.49 2ctn n MET 80 N -2.89 0.01 0.00 1.57 0.00 0.54 -2.72 117.12 113.63 2ctn n MET 80 Ca -0.00 0.09 0.08 0.00 0.00 0.00 0.00 57.70 57.87 2ctn n MET 80 Cb 0.61 -1.52 0.03 0.00 0.00 0.00 0.00 33.22 32.34 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 -1.54 1.55 0.02 2.12 2.81 -1.14 -3.86 117.12 117.08 2ctn n MET 81 Ca 0.06 -1.08 0.11 0.00 -1.81 0.00 0.00 57.70 54.98 2ctn n MET 81 Cb 0.29 -1.29 -0.12 0.00 -0.71 0.00 0.00 33.22 31.39 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn n VAL 82 N 0.29 0.16 0.74 2.03 0.31 -1.10 -3.17 118.33 117.59 2ctn n VAL 82 Ca 0.08 -0.50 0.08 0.00 -0.01 0.00 0.00 64.34 63.99 2ctn n VAL 82 Cb 0.37 -0.06 -0.08 0.00 -0.91 0.00 0.00 33.84 33.16 2ctn n VAL 82 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2ctn n ARG 83 N -2.34 1.77 -0.09 5.55 0.63 -1.21 -4.42 116.66 116.54 2ctn n ARG 83 Ca -0.03 -0.12 -0.15 0.00 -0.92 0.00 0.00 57.85 56.64 2ctn n ARG 83 Cb 0.56 -1.25 -0.07 0.00 0.45 0.00 0.00 32.46 32.14 2ctn n ARG 83 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ctn n SER 84 N -1.19 2.14 -0.24 6.15 7.64 -1.25 -4.53 113.62 122.33 2ctn n SER 84 Ca 0.04 0.03 0.14 0.00 1.01 0.00 0.00 58.87 60.08 2ctn n SER 84 Cb 0.26 -0.37 0.42 0.00 -1.01 0.00 0.00 64.21 63.51 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ctn h MET 85 N -0.25 0.58 0.00 1.43 2.86 -1.80 -3.43 114.93 114.32 2ctn h MET 85 Ca -0.41 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.20 2ctn h MET 85 Cb 1.51 -0.13 0.00 0.00 0.06 0.00 0.00 31.60 33.04 2ctn h MET 85 CO -0.14 0.38 0.00 1.63 1.06 0.00 0.00 176.91 179.84 2ctn n LYS 86 N -4.54 0.00 0.00 1.72 5.02 -1.26 -4.69 118.16 114.40 2ctn n LYS 86 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2ctn n LYS 86 Cb 0.51 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.52 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 2.97 0.00 -4.23 4.39 2.03 -1.26 -4.35 116.55 116.11 2ctn n ASP 87 Ca 0.00 0.00 -0.42 0.00 0.52 0.00 0.00 54.79 54.89 2ctn n ASP 87 Cb 0.00 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.36 2ctn n ASP 87 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2ctn s ASP 88 N -0.50 6.38 0.00 1.67 1.11 -1.26 -5.30 116.67 118.77 2ctn s ASP 88 Ca 0.00 -3.20 0.00 0.00 0.18 0.00 0.00 52.55 49.53 2ctn s ASP 88 Cb 0.00 -2.06 0.00 0.00 1.07 0.00 0.00 42.92 41.93 2ctn s ASP 88 CO 0.00 -0.36 0.00 -0.24 1.18 0.00 0.00 175.17 175.75