#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 6.50 -0.00 0.00 1.01 -1.26 -5.02 116.67 117.90 2ctn s ASP 3 Ca 0.00 1.22 -0.05 0.00 0.71 0.00 0.00 52.55 54.42 2ctn s ASP 3 Cb 0.00 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2ctn s ASP 3 CO 0.00 -0.48 -0.11 -0.38 0.21 0.00 0.00 175.17 174.41 2ctn n ILE 4 N -1.54 1.18 -0.08 0.77 5.41 -1.26 -4.63 119.36 119.21 2ctn n ILE 4 Ca 0.03 0.26 -0.16 0.00 1.00 0.00 0.00 62.75 63.88 2ctn n ILE 4 Cb 0.54 -1.79 -0.12 0.00 -0.71 0.00 0.00 39.64 37.56 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 -0.30 0.00 -1.12 1.39 0.05 -1.96 -3.33 116.97 111.69 2ctn h TYR 5 Ca -0.03 0.00 0.32 0.00 0.05 0.00 0.00 58.73 59.07 2ctn h TYR 5 Cb 0.44 0.00 -0.11 0.00 1.01 0.00 0.00 36.73 38.07 2ctn h TYR 5 CO -0.11 1.12 0.71 -0.22 -1.05 0.00 0.00 178.16 178.61 2ctn h LYS 6 N -1.00 0.29 -0.24 4.88 3.11 -1.93 0.87 116.57 122.54 2ctn h LYS 6 Ca -0.11 -0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 57.68 2ctn h LYS 6 Cb 1.06 -0.06 -0.01 0.00 -1.00 0.00 0.00 32.23 32.22 2ctn h LYS 6 CO -0.07 0.19 0.00 0.00 -2.81 0.00 0.00 179.45 176.77 2ctn h ALA 7 N 1.64 1.57 0.10 5.00 0.00 -1.82 0.27 119.26 126.02 2ctn h ALA 7 Ca 0.68 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 55.17 2ctn h ALA 7 Cb 1.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 2ctn h ALA 7 CO -0.37 0.32 -1.32 0.00 0.00 0.00 0.00 179.25 177.88 2ctn h ALA 8 N 1.67 0.22 0.10 0.00 0.00 0.59 -3.34 119.26 118.50 2ctn h ALA 8 Ca 0.08 -0.98 -0.26 0.00 0.00 0.00 0.00 54.91 53.74 2ctn h ALA 8 Cb 0.23 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ctn h ALA 8 CO 0.00 1.09 -1.17 0.28 0.00 0.00 0.00 179.25 179.46 2ctn h VAL 9 N 0.06 1.49 0.00 0.00 2.07 -0.89 -3.19 116.25 115.79 2ctn h VAL 9 Ca -0.16 -2.96 0.00 0.00 0.82 0.00 0.00 66.70 64.40 2ctn h VAL 9 Cb 1.96 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 34.57 2ctn h VAL 9 CO 0.17 0.87 0.14 1.05 0.02 0.00 0.00 177.57 179.82 2ctn h GLU 10 N 0.10 0.00 0.00 1.57 4.11 -0.59 0.30 114.58 120.06 2ctn h GLU 10 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.31 2ctn h GLU 10 Cb 1.88 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.13 2ctn h GLU 10 CO 0.19 0.00 -1.09 1.04 0.07 0.00 0.00 179.01 179.22 2ctn n GLN 11 N -2.45 0.14 -0.92 1.06 6.02 -1.21 -4.98 117.38 115.05 2ctn n GLN 11 Ca -0.02 -0.03 -0.36 0.00 -0.01 0.00 0.00 57.00 56.58 2ctn n GLN 11 Cb 0.18 -1.52 0.07 0.00 1.02 0.00 0.00 30.24 29.99 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 -1.69 -3.47 -4.91 1.08 4.77 0.10 -4.94 117.00 107.95 2ctn n LEU 12 Ca 0.03 0.07 -0.32 0.00 -0.03 0.00 0.00 56.01 55.75 2ctn n LEU 12 Cb 0.38 -0.74 -0.04 0.00 -2.33 0.00 0.00 43.42 40.69 2ctn n LEU 12 CO 0.42 -3.78 -0.12 0.42 -1.33 0.00 0.00 177.39 173.00 2ctn s THR 13 N -2.09 5.37 0.39 -5.08 -4.23 -1.26 -4.95 115.64 103.79 2ctn s THR 13 Ca 0.43 -0.22 0.22 0.00 -1.18 0.00 0.00 61.69 60.94 2ctn s THR 13 Cb -0.05 -3.60 0.40 0.00 1.34 0.00 0.00 72.50 70.59 2ctn s THR 13 CO 0.71 0.20 1.66 -0.08 -0.54 0.00 0.00 174.62 176.57 2ctn h GLU 14 N 3.34 0.22 0.00 3.99 4.57 -2.00 2.10 114.58 126.79 2ctn h GLU 14 Ca -0.47 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 2ctn h GLU 14 Cb 1.17 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.71 2ctn h GLU 14 CO 0.73 0.14 0.00 0.93 -1.18 0.00 0.00 179.01 179.63 2ctn h GLU 15 N 0.22 0.00 0.00 1.92 5.08 -2.00 -2.32 114.58 117.49 2ctn h GLU 15 Ca 0.75 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 59.01 2ctn h GLU 15 Cb 2.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.27 2ctn h GLU 15 CO -0.49 0.00 -0.63 1.96 -1.00 0.00 0.00 179.01 178.85 2ctn h GLN 16 N 0.00 0.00 -0.18 2.33 1.08 0.30 -3.12 115.11 115.52 2ctn h GLN 16 Ca 0.00 0.00 0.02 0.00 -1.45 0.00 0.00 58.65 57.22 2ctn h GLN 16 Cb 0.27 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2ctn h GLN 16 CO 0.00 0.68 0.03 0.87 -0.95 0.00 0.00 178.83 179.46 2ctn h LYS 17 N -1.00 0.10 -0.43 1.46 1.79 -1.43 0.35 116.57 117.41 2ctn h LYS 17 Ca -0.15 -0.01 0.03 0.00 -2.18 0.00 0.00 60.65 58.35 2ctn h LYS 17 Cb 0.91 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 31.50 2ctn h LYS 17 CO -0.09 0.06 0.21 -0.91 -1.08 0.00 0.00 179.45 177.65 2ctn h ASN 18 N 0.10 0.31 -0.44 0.86 2.35 -1.60 0.62 115.58 117.78 2ctn h ASN 18 Ca 0.08 0.02 -0.11 0.00 -0.55 0.00 0.00 56.30 55.75 2ctn h ASN 18 Cb 0.08 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.40 2ctn h ASN 18 CO -0.12 0.22 -0.13 -0.33 -1.65 0.00 0.00 177.43 175.43 2ctn h GLU 19 N 0.43 0.91 0.18 0.81 4.39 -1.40 -1.52 114.58 118.39 2ctn h GLU 19 Ca 0.18 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2ctn h GLU 19 Cb 0.09 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.68 2ctn h GLU 19 CO -0.13 0.98 -0.09 0.74 -1.16 0.00 0.00 179.01 179.36 2ctn h PHE 20 N 0.81 -0.22 -1.12 4.33 0.04 0.27 -0.14 116.94 120.91 2ctn h PHE 20 Ca 0.13 -0.01 0.31 0.00 2.80 0.00 0.00 57.97 61.20 2ctn h PHE 20 Cb 0.66 0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.82 2ctn h PHE 20 CO 0.04 -0.14 0.77 0.87 -0.60 0.00 0.00 178.31 179.25 2ctn h LYS 21 N -0.65 0.16 0.07 1.51 1.57 0.13 -0.93 116.57 118.42 2ctn h LYS 21 Ca -0.02 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ctn h LYS 21 Cb 0.18 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.46 2ctn h LYS 21 CO 0.04 0.11 -0.03 0.00 -0.57 0.00 0.00 179.45 179.00 2ctn h ALA 22 N 1.51 -0.09 -0.52 3.86 0.00 -1.31 -3.08 119.26 119.63 2ctn h ALA 22 Ca 0.58 -0.28 0.10 0.00 0.00 0.00 0.00 54.91 55.31 2ctn h ALA 22 Cb 1.93 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 19.65 2ctn h ALA 22 CO -0.15 -0.14 -0.22 0.00 0.00 0.00 0.00 179.25 178.74 2ctn h ALA 23 N -0.25 0.16 -0.45 0.00 0.00 0.28 0.30 119.26 119.30 2ctn h ALA 23 Ca -0.01 0.18 0.09 0.00 0.00 0.00 0.00 54.91 55.17 2ctn h ALA 23 Cb 0.60 0.56 -0.08 0.00 0.00 0.00 0.00 17.79 18.86 2ctn h ALA 23 CO 0.02 -0.55 -0.08 0.35 0.00 0.00 0.00 179.25 178.99 2ctn h PHE 24 N -0.10 -0.18 0.00 0.00 3.04 -1.40 0.86 116.94 119.17 2ctn h PHE 24 Ca 0.24 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.23 2ctn h PHE 24 Cb 0.48 0.15 0.00 0.00 2.56 0.00 0.00 35.95 39.14 2ctn h PHE 24 CO -0.51 -0.17 0.00 -0.25 -2.02 0.00 0.00 178.31 175.36 2ctn n ASP 25 N -5.30 0.48 -0.03 0.41 9.92 -0.06 -0.04 116.55 121.94 2ctn n ASP 25 Ca 0.04 0.67 0.06 0.00 -0.53 0.00 0.00 54.79 55.03 2ctn n ASP 25 Cb 0.24 -0.76 -0.16 0.00 -0.64 0.00 0.00 41.12 39.81 2ctn n ASP 25 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2ctn n ILE 26 N -2.09 0.26 -0.01 0.53 5.41 0.24 -4.35 119.36 119.34 2ctn n ILE 26 Ca 0.00 -0.54 0.09 0.00 1.00 0.00 0.00 62.75 63.31 2ctn n ILE 26 Cb 0.12 -0.08 -0.16 0.00 -0.71 0.00 0.00 39.64 38.81 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 -2.31 0.07 0.74 1.39 3.72 0.22 -4.12 117.46 117.16 2ctn n PHE 27 Ca -0.09 0.02 0.12 0.00 -0.05 0.00 0.00 57.45 57.45 2ctn n PHE 27 Cb 0.65 -0.57 0.49 0.00 -0.94 0.00 0.00 39.48 39.11 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 -2.33 0.46 -0.19 -4.37 0.31 0.95 -3.34 118.33 109.81 2ctn n VAL 28 Ca -0.06 0.03 0.29 0.00 -0.01 0.00 0.00 64.34 64.59 2ctn n VAL 28 Cb 0.62 -0.72 0.71 0.00 -0.91 0.00 0.00 33.84 33.54 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 0.02 -2.17 7.52 -0.00 -1.76 1.29 115.31 120.21 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.88 2ctn h LEU 29 Cb 0.47 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.13 2ctn h LEU 29 CO 0.00 0.01 0.00 0.61 -0.00 0.00 0.00 178.44 179.06 2ctn n GLY 30 N -1.71 1.54 0.00 0.83 0.00 -1.21 -4.93 105.19 99.70 2ctn n GLY 30 Ca 0.19 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.37 0.00 0.00 4.61 0.00 0.44 -5.05 120.51 121.88 2ctn n ALA 31 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2ctn n ALA 31 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 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 -0.00 0.00 -0.36 0.00 2.13 -1.26 -4.87 120.64 116.28 2ctn n GLU 32 Ca 0.00 0.00 0.09 0.00 0.66 0.00 0.00 57.16 57.91 2ctn n GLU 32 Cb 0.00 -0.34 0.28 0.00 0.27 0.00 0.00 31.44 31.64 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 -1.32 3.80 -0.51 4.31 9.92 -1.26 -4.93 116.55 126.56 2ctn n ASP 33 Ca 0.00 -2.12 0.00 0.00 -0.53 0.00 0.00 54.79 52.14 2ctn n ASP 33 Cb 0.00 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.05 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 1.13 0.94 3.60 0.44 0.00 -1.26 -5.06 105.19 104.98 2ctn n GLY 34 Ca 0.21 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.47 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 -2.97 0.21 -0.28 1.61 0.01 -1.26 -4.80 113.70 106.22 2ctn s SER 35 Ca 0.00 -1.11 -0.01 0.00 1.31 0.00 0.00 55.95 56.13 2ctn s SER 35 Cb 0.00 0.65 0.09 0.00 0.21 0.00 0.00 66.02 66.97 2ctn s SER 35 CO 0.00 -1.28 0.08 0.27 0.41 0.00 0.00 173.24 172.72 2ctn s ILE 36 N -3.48 0.74 0.97 1.44 -4.36 0.81 -4.61 121.20 112.71 2ctn s ILE 36 Ca 0.23 -1.15 -0.16 0.00 -0.26 0.00 0.00 60.65 59.31 2ctn s ILE 36 Cb -0.01 -1.47 0.20 0.00 1.25 0.00 0.00 42.46 42.43 2ctn s ILE 36 CO 0.13 -0.55 1.31 -0.94 0.24 0.00 0.00 174.94 175.12 2ctn s SER 37 N 1.71 3.02 0.60 4.36 1.04 -1.26 -2.48 113.70 120.69 2ctn s SER 37 Ca 0.07 0.29 0.29 0.00 0.48 0.00 0.00 55.95 57.08 2ctn s SER 37 Cb -0.17 -0.35 1.15 0.00 0.10 0.00 0.00 66.02 66.74 2ctn s SER 37 CO -0.22 -2.79 1.49 0.00 0.98 0.00 0.00 173.24 172.70 2ctn h THR 38 N -1.68 0.10 0.04 2.02 1.03 -0.57 1.61 112.91 115.46 2ctn h THR 38 Ca -0.44 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.73 2ctn h THR 38 Cb 1.24 0.18 -0.00 0.00 -1.07 0.00 0.00 68.15 68.49 2ctn h THR 38 CO 0.38 0.00 -1.01 0.50 -0.01 0.00 0.00 175.52 175.38 2ctn h LYS 39 N 0.00 0.25 0.01 0.00 1.63 -1.88 -2.87 116.57 113.71 2ctn h LYS 39 Ca 0.45 -0.33 -0.36 0.00 -0.85 0.00 0.00 60.65 59.56 2ctn h LYS 39 Cb 2.51 0.11 -0.06 0.00 -0.60 0.00 0.00 32.23 34.19 2ctn h LYS 39 CO -0.00 1.07 -2.26 0.39 -3.45 0.00 0.00 179.45 175.19 2ctn n GLU 40 N -3.62 0.68 0.03 1.90 -0.58 0.47 -4.15 120.64 115.37 2ctn n GLU 40 Ca -0.05 0.12 0.10 0.00 -0.42 0.00 0.00 57.16 56.91 2ctn n GLU 40 Cb 0.89 -1.59 0.44 0.00 -0.57 0.00 0.00 31.44 30.61 2ctn n GLU 40 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2ctn n LEU 41 N -3.04 0.19 0.05 -4.62 -0.00 0.30 -2.91 117.00 106.98 2ctn n LEU 41 Ca -0.34 0.54 -0.03 0.00 -0.00 0.00 0.00 56.01 56.18 2ctn n LEU 41 Cb 1.08 -0.49 0.22 0.00 -0.00 0.00 0.00 43.42 44.22 2ctn n LEU 41 CO 0.38 -0.23 0.71 1.23 -0.00 0.00 0.00 177.39 179.48 2ctn h GLY 42 N 3.36 0.41 1.90 -3.96 0.00 -1.66 -2.35 103.07 100.76 2ctn h GLY 42 Ca 0.00 -0.35 0.00 0.00 0.00 0.00 0.00 47.33 46.98 2ctn h GLY 42 CO 0.00 0.32 -0.09 0.50 0.00 0.00 0.00 176.54 177.27 2ctn h LYS 43 N 0.33 0.00 0.00 4.80 1.57 -1.77 -3.23 116.57 118.26 2ctn h LYS 43 Ca 0.04 0.00 -0.18 0.00 -1.87 0.00 0.00 60.65 58.64 2ctn h LYS 43 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.99 2ctn h LYS 43 CO 0.05 0.00 -1.14 0.28 -0.57 0.00 0.00 179.45 178.07 2ctn h VAL 44 N 0.00 0.88 0.01 0.50 2.07 -1.55 -3.20 116.25 114.96 2ctn h VAL 44 Ca 0.00 -2.44 -0.00 0.00 0.82 0.00 0.00 66.70 65.08 2ctn h VAL 44 Cb 0.86 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 32.98 2ctn h VAL 44 CO 0.00 0.50 -0.01 0.24 0.02 0.00 0.00 177.57 178.32 2ctn h MET 45 N 0.00 -0.02 0.00 1.57 2.86 -1.47 -2.19 114.93 115.68 2ctn h MET 45 Ca -0.11 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.51 2ctn h MET 45 Cb 1.64 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.30 2ctn h MET 45 CO 0.07 0.70 -0.08 -0.09 1.06 0.00 0.00 176.91 178.57 2ctn h ARG 46 N -0.76 0.00 0.11 1.72 2.43 -1.66 -2.08 114.38 114.13 2ctn h ARG 46 Ca -0.00 0.00 -0.26 0.00 -0.81 0.00 0.00 59.98 58.90 2ctn h ARG 46 Cb 0.72 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.27 2ctn h ARG 46 CO 0.00 0.08 -1.21 0.00 -1.51 0.00 0.00 179.97 177.33 2ctn h MET 47 N 0.00 0.23 0.00 0.20 -0.00 -1.57 -3.41 114.93 110.37 2ctn h MET 47 Ca -0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 59.70 59.31 2ctn h MET 47 Cb 0.17 0.14 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 2ctn h MET 47 CO 0.01 1.18 0.00 1.28 -0.00 0.00 0.00 176.91 179.38 2ctn n LEU 48 N -3.50 1.95 -2.67 -0.10 4.77 -0.83 -4.97 117.00 111.66 2ctn n LEU 48 Ca -0.07 0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2ctn n LEU 48 Cb 1.01 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 42.16 2ctn n LEU 48 CO 0.53 0.00 0.65 0.61 -1.33 0.00 0.00 177.39 177.84 2ctn n GLY 49 N 2.17 -0.80 3.00 -0.72 0.00 -0.96 -5.09 105.19 102.77 2ctn n GLY 49 Ca 0.00 0.34 -0.10 0.00 0.00 0.00 0.00 46.02 46.26 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 0.06 0.30 -0.40 1.61 -0.21 -0.84 -5.04 119.66 115.15 2ctn s GLN 50 Ca 0.13 -0.45 0.10 0.00 0.02 0.00 0.00 55.36 55.15 2ctn s GLN 50 Cb 0.20 0.11 0.43 0.00 1.00 0.00 0.00 33.01 34.76 2ctn s GLN 50 CO -0.10 -0.06 1.04 -1.71 -2.12 0.00 0.00 175.29 172.35 2ctn n ASN 51 N 1.81 3.47 -4.78 5.90 2.85 -1.26 -3.85 115.26 119.40 2ctn n ASN 51 Ca -0.22 -3.35 -0.31 0.00 -0.11 0.00 0.00 54.58 50.60 2ctn n ASN 51 Cb 0.56 -0.49 0.09 0.00 1.24 0.00 0.00 39.78 41.18 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 2ctn s PRO 52 N -3.37 2.22 0.43 1.20 0.04 -1.26 -5.06 135.00 129.19 2ctn s PRO 52 Ca 0.40 0.92 0.08 0.00 0.04 0.00 0.00 61.00 62.45 2ctn s PRO 52 Cb 0.42 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 33.05 2ctn s PRO 52 CO -0.10 -1.60 0.51 0.95 0.04 0.00 0.00 177.00 176.80 2ctn s THR 53 N -3.01 2.82 0.16 1.26 -4.23 -1.26 -4.96 115.64 106.43 2ctn s THR 53 Ca 0.61 -1.13 -0.04 0.00 -1.18 0.00 0.00 61.69 59.94 2ctn s THR 53 Cb -0.16 -2.95 -0.11 0.00 1.34 0.00 0.00 72.50 70.63 2ctn s THR 53 CO 0.56 0.00 1.42 1.55 -0.54 0.00 0.00 174.62 177.60 2ctn h PRO 54 N 0.76 0.53 -0.28 3.99 0.13 -1.99 0.54 132.00 135.68 2ctn h PRO 54 Ca -0.40 -0.41 -0.09 0.00 -0.87 0.00 0.00 66.00 64.23 2ctn h PRO 54 Cb 1.28 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.48 2ctn h PRO 54 CO 0.49 1.03 -0.19 0.93 -0.23 0.00 0.00 178.00 180.04 2ctn h GLU 55 N 0.37 0.63 0.03 0.86 5.08 -2.02 -3.20 114.58 116.33 2ctn h GLU 55 Ca -0.03 -0.30 -0.23 0.00 -1.00 0.00 0.00 59.36 57.80 2ctn h GLU 55 Cb 1.28 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2ctn h GLU 55 CO 0.13 0.89 -1.00 0.93 -1.00 0.00 0.00 179.01 178.96 2ctn h GLU 56 N 0.36 0.35 -0.27 2.33 5.08 -1.97 -3.33 114.58 117.14 2ctn h GLU 56 Ca 0.06 -0.42 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 2ctn h GLU 56 Cb 0.73 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 2ctn h GLU 56 CO 0.05 1.11 -0.31 -0.07 -1.00 0.00 0.00 179.01 178.79 2ctn h LEU 57 N 0.18 -1.05 -1.20 1.33 3.38 -0.88 0.39 115.31 117.45 2ctn h LEU 57 Ca -0.09 0.14 0.29 0.00 0.09 0.00 0.00 57.88 58.32 2ctn h LEU 57 Cb 1.66 0.44 -0.12 0.00 0.09 0.00 0.00 40.66 42.72 2ctn h LEU 57 CO 0.17 -0.21 0.65 -0.61 0.09 0.00 0.00 178.44 178.53 2ctn h GLN 58 N -0.19 0.38 -0.35 1.13 5.75 -1.68 0.26 115.11 120.40 2ctn h GLN 58 Ca 0.05 -0.02 -0.12 0.00 -0.15 0.00 0.00 58.65 58.41 2ctn h GLN 58 Cb 0.31 -0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.77 2ctn h GLN 58 CO -0.36 0.25 -0.24 1.49 -2.65 0.00 0.00 178.83 177.32 2ctn h GLU 59 N 0.39 0.79 -0.20 1.69 4.81 -0.54 -1.84 114.58 119.68 2ctn h GLU 59 Ca 0.67 -0.38 0.05 0.00 -0.13 0.00 0.00 59.36 59.57 2ctn h GLU 59 Cb 1.61 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.92 2ctn h GLU 59 CO -0.42 1.00 -0.17 0.52 -0.73 0.00 0.00 179.01 179.21 2ctn h MET 60 N 0.58 -0.18 0.60 1.92 2.86 0.31 -1.31 114.93 119.71 2ctn h MET 60 Ca 0.07 0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.69 2ctn h MET 60 Cb 0.80 0.04 0.01 0.00 0.06 0.00 0.00 31.60 32.51 2ctn h MET 60 CO 0.07 -0.12 -0.29 0.82 1.06 0.00 0.00 176.91 178.45 2ctn h ILE 61 N -0.19 0.13 -1.16 -1.22 5.03 -1.48 -1.87 117.51 116.76 2ctn h ILE 61 Ca 0.12 -0.39 0.34 0.00 -0.12 0.00 0.00 64.86 64.81 2ctn h ILE 61 Cb 0.37 0.19 -0.05 0.00 -3.03 0.00 0.00 36.82 34.30 2ctn h ILE 61 CO -0.31 0.02 1.13 -0.78 -0.68 0.00 0.00 178.15 177.53 2ctn h ASP 62 N -1.15 0.00 0.04 1.72 1.82 -1.22 2.26 116.42 119.89 2ctn h ASP 62 Ca -0.08 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.39 2ctn h ASP 62 Cb 0.66 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.65 2ctn h ASP 62 CO 0.14 0.00 -0.89 -0.33 -1.61 0.00 0.00 179.24 176.54 2ctn h GLU 63 N 0.00 0.08 0.00 0.28 4.39 -0.97 -3.37 114.58 114.99 2ctn h GLU 63 Ca 0.55 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 60.01 2ctn h GLU 63 Cb 2.80 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 31.48 2ctn h GLU 63 CO -0.01 1.07 -0.67 -0.39 -1.16 0.00 0.00 179.01 177.85 2ctn h VAL 64 N -0.78 0.69 -2.88 3.13 -1.51 0.32 -3.45 116.25 111.77 2ctn h VAL 64 Ca -0.22 -2.03 -0.53 0.00 -1.23 0.00 0.00 66.70 62.70 2ctn h VAL 64 Cb 1.35 2.27 0.04 0.00 -2.13 0.00 0.00 31.29 32.82 2ctn h VAL 64 CO -0.05 0.39 0.83 -0.62 -1.23 0.00 0.00 177.57 176.89 2ctn s ASP 65 N -6.26 6.66 0.00 4.19 -1.08 0.73 -4.86 116.67 116.05 2ctn s ASP 65 Ca 0.03 2.53 0.20 0.00 -0.52 0.00 0.00 52.55 54.78 2ctn s ASP 65 Cb 0.08 -2.59 0.94 0.00 -1.46 0.00 0.00 42.92 39.88 2ctn s ASP 65 CO 0.75 -0.77 1.64 -1.84 0.52 0.00 0.00 175.17 175.47 2ctn n GLU 66 N 3.96 0.15 0.00 4.34 0.28 -1.26 -3.08 120.64 125.04 2ctn n GLU 66 Ca 0.13 0.13 0.00 0.00 -0.16 0.00 0.00 57.16 57.26 2ctn n GLU 66 Cb 0.40 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 -1.39 0.04 -3.04 -1.84 5.75 -1.26 -5.06 116.55 109.75 2ctn n ASP 67 Ca 0.07 -0.41 -0.01 0.00 -0.01 0.00 0.00 54.79 54.43 2ctn n ASP 67 Cb 0.20 0.70 0.00 0.00 -1.03 0.00 0.00 41.12 40.99 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 0.70 -1.25 0.00 6.12 0.00 -1.18 -4.97 105.19 104.62 2ctn n GLY 68 Ca 0.00 0.56 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 -1.61 3.37 0.00 1.61 3.41 -1.26 -4.95 113.62 114.19 2ctn n SER 69 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 2ctn n SER 69 Cb 0.50 0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.87 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 2.05 0.42 3.90 5.00 0.00 -1.26 -4.99 105.19 110.32 2ctn n GLY 70 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 4.97 -0.15 2.61 -4.23 -1.26 0.22 115.64 115.80 2ctn s THR 71 Ca 0.00 0.14 -0.06 0.00 -1.18 0.00 0.00 61.69 60.59 2ctn s THR 71 Cb 0.00 -3.76 0.07 0.00 1.34 0.00 0.00 72.50 70.14 2ctn s THR 71 CO 0.00 -0.45 0.32 -0.69 -0.54 0.00 0.00 174.62 173.26 2ctn s VAL 72 N -2.24 -0.32 0.00 2.29 1.01 -1.03 -4.83 120.40 115.28 2ctn s VAL 72 Ca 0.45 0.19 0.00 0.00 0.00 0.00 0.00 61.98 62.63 2ctn s VAL 72 Cb -0.10 -0.51 0.00 0.00 0.00 0.00 0.00 36.38 35.76 2ctn s VAL 72 CO 0.32 0.08 0.00 -0.90 0.00 0.00 0.00 175.10 174.61 2ctn n ASP 73 N 4.93 0.76 -0.10 3.32 5.68 -1.26 -0.13 116.55 129.75 2ctn n ASP 73 Ca -0.14 -0.42 0.26 0.00 -0.50 0.00 0.00 54.79 53.99 2ctn n ASP 73 Cb 0.51 0.00 0.72 0.00 -1.14 0.00 0.00 41.12 41.21 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 -1.33 0.00 0.00 177.20 176.02 2ctn h PHE 74 N 0.16 0.00 0.00 2.11 3.57 -2.00 0.61 116.94 121.39 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 -0.10 0.22 -2.23 0.00 0.00 178.31 176.20 2ctn h ASP 75 N 0.00 0.00 -1.29 0.41 3.58 -2.00 -3.25 116.42 113.87 2ctn h ASP 75 Ca 0.36 0.00 0.37 0.00 0.42 0.00 0.00 57.03 58.18 2ctn h ASP 75 Cb 1.62 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.62 2ctn h ASP 75 CO -0.00 0.26 0.94 -0.33 -2.88 0.00 0.00 179.24 177.22 2ctn h GLU 76 N -0.41 0.00 0.46 0.28 5.08 -1.85 -1.41 114.58 116.73 2ctn h GLU 76 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ctn h GLU 76 CO 0.00 0.00 -0.22 0.35 -1.00 0.00 0.00 179.01 178.14 2ctn h PHE 77 N 0.00 -0.57 0.00 4.33 3.57 -1.01 -1.21 116.94 122.05 2ctn h PHE 77 Ca 0.61 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.10 2ctn h PHE 77 Cb 2.48 0.19 0.00 0.00 2.79 0.00 0.00 35.95 41.41 2ctn h PHE 77 CO 0.00 -0.35 0.25 -0.07 -2.23 0.00 0.00 178.31 175.91 2ctn h LEU 78 N -0.76 0.00 0.00 0.59 3.38 -1.32 0.54 115.31 117.73 2ctn h LEU 78 Ca -0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 2ctn h LEU 78 Cb 0.47 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2ctn h LEU 78 CO 0.10 0.00 -0.64 0.58 0.09 0.00 0.00 178.44 178.57 2ctn h VAL 79 N 0.00 0.28 0.00 1.22 2.07 -0.96 -3.23 116.25 115.62 2ctn h VAL 79 Ca 0.00 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.08 2ctn h VAL 79 Cb 0.50 1.95 0.00 0.00 -1.52 0.00 0.00 31.29 32.23 2ctn h VAL 79 CO 0.00 0.16 0.00 0.80 0.02 0.00 0.00 177.57 178.55 2ctn n MET 80 N -2.97 0.06 -0.00 1.57 1.56 0.19 -2.78 117.12 114.74 2ctn n MET 80 Ca 0.00 0.10 0.09 0.00 -0.27 0.00 0.00 57.70 57.61 2ctn n MET 80 Cb 0.63 -1.50 -0.12 0.00 2.15 0.00 0.00 33.22 34.38 2ctn n MET 80 CO 0.00 0.00 0.00 -1.33 -0.73 0.00 0.00 175.97 173.91 2ctn n MET 81 N -1.46 0.86 0.10 2.12 2.81 -1.22 -3.76 117.12 116.57 2ctn n MET 81 Ca 0.07 -0.09 -0.04 0.00 -1.81 0.00 0.00 57.70 55.82 2ctn n MET 81 Cb 0.26 -1.38 0.08 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 1.49 0.00 2.03 2.07 -1.57 -1.63 116.25 118.65 2ctn h VAL 82 Ca 0.00 -2.42 -0.04 0.00 0.82 0.00 0.00 66.70 65.06 2ctn h VAL 82 Cb 0.64 2.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2ctn h VAL 82 CO 0.00 0.70 -1.16 -1.14 0.02 0.00 0.00 177.57 175.98 2ctn n ARG 83 N -3.71 0.61 0.00 1.57 0.63 -1.24 -3.24 116.66 111.29 2ctn n ARG 83 Ca -0.02 0.12 0.12 0.00 -0.92 0.00 0.00 57.85 57.15 2ctn n ARG 83 Cb 0.71 -1.80 0.22 0.00 0.45 0.00 0.00 32.46 32.04 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -2.51 0.00 0.00 177.63 175.57 2ctn n SER 84 N -2.69 1.14 -0.03 6.15 2.88 -1.20 -4.22 113.62 115.65 2ctn n SER 84 Ca -0.02 -0.91 -0.04 0.00 -1.33 0.00 0.00 58.87 56.56 2ctn n SER 84 Cb 0.61 0.32 -0.01 0.00 -0.75 0.00 0.00 64.21 64.38 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -1.23 0.00 0.00 175.04 174.04 2ctn n MET 85 N -0.77 0.23 -3.08 -1.46 2.81 -0.62 -4.95 117.12 109.28 2ctn n MET 85 Ca 0.09 0.09 -0.12 0.00 -1.81 0.00 0.00 57.70 55.96 2ctn n MET 85 Cb 0.37 -0.86 -0.03 0.00 -0.71 0.00 0.00 33.22 31.99 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 -3.50 0.84 -2.79 0.03 2.85 -1.20 -4.76 118.16 109.64 2ctn n LYS 86 Ca -0.06 -1.55 -0.03 0.00 -1.05 0.00 0.00 58.31 55.62 2ctn n LYS 86 Cb 0.23 0.80 -0.03 0.00 -0.65 0.00 0.00 35.03 35.38 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 2ctn n ASP 87 N -1.76 -3.58 -3.52 -5.58 2.03 -1.26 -4.09 116.55 98.78 2ctn n ASP 87 Ca -0.03 1.20 -0.19 0.00 0.52 0.00 0.00 54.79 56.29 2ctn n ASP 87 Cb 0.27 -3.64 0.06 0.00 -0.72 0.00 0.00 41.12 37.10 2ctn n ASP 87 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2ctn n ASP 88 N 2.08 -2.25 0.00 1.67 9.92 -1.26 -4.72 116.55 121.99 2ctn n ASP 88 Ca -0.23 -0.72 0.07 0.00 -0.53 0.00 0.00 54.79 53.38 2ctn n ASP 88 Cb 0.36 -4.67 0.44 0.00 -0.64 0.00 0.00 41.12 36.61 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 0.13 0.00 0.00 177.20 175.79