#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 6.66 -0.07 0.00 1.11 -1.26 -4.91 116.67 118.20 2ctn s ASP 3 Ca 0.00 2.50 -0.08 0.00 0.18 0.00 0.00 52.55 55.15 2ctn s ASP 3 Cb 0.00 -2.58 -0.04 0.00 1.07 0.00 0.00 42.92 41.37 2ctn s ASP 3 CO 0.00 -0.79 -0.17 -0.38 1.18 0.00 0.00 175.17 175.01 2ctn n ILE 4 N 4.16 1.13 -0.08 0.77 5.41 -1.26 -4.53 119.36 124.96 2ctn n ILE 4 Ca 0.14 0.11 -0.14 0.00 1.00 0.00 0.00 62.75 63.86 2ctn n ILE 4 Cb 0.40 -1.85 -0.10 0.00 -0.71 0.00 0.00 39.64 37.38 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 -0.47 0.00 -0.36 1.39 0.05 -1.96 -3.30 116.97 112.32 2ctn h TYR 5 Ca -0.12 0.00 0.07 0.00 0.05 0.00 0.00 58.73 58.73 2ctn h TYR 5 Cb 0.77 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 38.42 2ctn h TYR 5 CO -0.15 0.97 -0.36 0.87 -1.05 0.00 0.00 178.16 178.45 2ctn h LYS 6 N -1.00 -0.29 -1.00 4.88 6.56 -1.92 0.45 116.57 124.25 2ctn h LYS 6 Ca -0.11 0.02 0.27 0.00 -1.06 0.00 0.00 60.65 59.77 2ctn h LYS 6 Cb 0.95 0.07 -0.06 0.00 -0.57 0.00 0.00 32.23 32.62 2ctn h LYS 6 CO -0.07 -0.19 0.69 0.00 -2.06 0.00 0.00 179.45 177.82 2ctn h ALA 7 N 0.60 2.68 0.09 3.86 0.00 -1.80 0.32 119.26 125.01 2ctn h ALA 7 Ca 0.15 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.80 2ctn h ALA 7 Cb 0.56 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.42 2ctn h ALA 7 CO -0.52 -0.99 -1.04 0.00 0.00 0.00 0.00 179.25 176.69 2ctn h ALA 8 N 1.54 0.00 -0.54 0.00 0.00 -0.29 -3.17 119.26 116.80 2ctn h ALA 8 Ca 0.50 -0.72 -0.10 0.00 0.00 0.00 0.00 54.91 54.59 2ctn h ALA 8 Cb 1.72 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.58 2ctn h ALA 8 CO -0.10 0.57 -0.08 0.28 0.00 0.00 0.00 179.25 179.93 2ctn h VAL 9 N 0.11 1.26 0.00 0.00 2.07 0.16 -2.16 116.25 117.70 2ctn h VAL 9 Ca -0.16 -1.21 0.00 0.00 0.82 0.00 0.00 66.70 66.15 2ctn h VAL 9 Cb 1.75 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2ctn h VAL 9 CO 0.20 0.43 0.00 1.05 0.02 0.00 0.00 177.57 179.27 2ctn h GLU 10 N 0.88 0.00 -0.26 1.57 4.11 -0.59 -0.58 114.58 119.70 2ctn h GLU 10 Ca 0.15 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.58 2ctn h GLU 10 Cb 0.62 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2ctn h GLU 10 CO 0.04 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.16 2ctn n GLN 11 N -2.55 2.08 0.00 1.06 6.02 -0.82 -4.93 117.38 118.25 2ctn n GLN 11 Ca -0.00 -1.63 0.00 0.00 -0.01 0.00 0.00 57.00 55.35 2ctn n GLN 11 Cb 0.14 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 29.96 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 0.86 0.00 -4.24 1.08 4.77 -0.23 -5.05 117.00 114.19 2ctn n LEU 12 Ca 0.17 0.00 -0.19 0.00 -0.03 0.00 0.00 56.01 55.96 2ctn n LEU 12 Cb 0.45 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.43 2ctn n LEU 12 CO 0.14 -1.00 -0.46 0.42 -1.33 0.00 0.00 177.39 175.16 2ctn s THR 13 N -0.61 1.37 0.61 -5.08 -4.23 -1.26 -4.99 115.64 101.44 2ctn s THR 13 Ca 0.00 -1.60 0.27 0.00 -1.18 0.00 0.00 61.69 59.18 2ctn s THR 13 Cb 0.00 -1.44 0.36 0.00 1.34 0.00 0.00 72.50 72.76 2ctn s THR 13 CO 0.00 -0.31 1.73 -0.33 -0.54 0.00 0.00 174.62 175.18 2ctn h GLU 14 N 3.78 0.00 0.00 3.99 4.39 -1.99 0.86 114.58 125.62 2ctn h GLU 14 Ca -0.41 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.12 2ctn h GLU 14 Cb 1.19 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.82 2ctn h GLU 14 CO 0.46 0.00 -0.78 0.93 -1.16 0.00 0.00 179.01 178.47 2ctn h GLU 15 N 0.00 0.00 0.19 2.33 5.08 -1.99 -2.42 114.58 117.77 2ctn h GLU 15 Ca 0.23 0.00 -0.33 0.00 -1.00 0.00 0.00 59.36 58.27 2ctn h GLU 15 Cb 1.52 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.79 2ctn h GLU 15 CO -0.00 0.78 -1.57 0.37 -1.00 0.00 0.00 179.01 177.58 2ctn h GLN 16 N 0.00 0.40 -0.25 2.33 5.75 0.31 -3.27 115.11 120.39 2ctn h GLN 16 Ca -0.01 -0.69 -0.15 0.00 -0.15 0.00 0.00 58.65 57.66 2ctn h GLN 16 Cb 1.55 0.26 -0.01 0.00 1.07 0.00 0.00 27.48 30.35 2ctn h GLN 16 CO 0.10 1.33 -0.45 0.87 -2.65 0.00 0.00 178.83 178.03 2ctn h LYS 17 N 0.02 0.64 0.00 1.69 1.57 -1.35 -2.27 116.57 116.87 2ctn h LYS 17 Ca -0.31 -0.35 -0.02 0.00 -1.87 0.00 0.00 60.65 58.11 2ctn h LYS 17 Cb 2.03 0.02 -0.00 0.00 0.08 0.00 0.00 32.23 34.36 2ctn h LYS 17 CO 0.18 0.96 -0.08 -0.91 -0.57 0.00 0.00 179.45 179.04 2ctn h ASN 18 N 0.52 0.00 0.30 0.86 2.35 -1.56 -1.54 115.58 116.51 2ctn h ASN 18 Ca 0.03 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.45 2ctn h ASN 18 Cb 0.98 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.35 2ctn h ASN 18 CO 0.09 0.08 -1.68 -0.08 -1.65 0.00 0.00 177.43 174.19 2ctn h GLU 19 N 0.00 0.31 0.07 0.81 4.81 -1.53 -3.17 114.58 115.88 2ctn h GLU 19 Ca -0.00 -0.54 -0.00 0.00 -0.13 0.00 0.00 59.36 58.69 2ctn h GLU 19 Cb 0.19 0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.77 2ctn h GLU 19 CO 0.01 1.20 -0.03 0.74 -0.73 0.00 0.00 179.01 180.20 2ctn h PHE 20 N 0.09 -0.09 -1.05 0.92 0.04 -0.97 -2.03 116.94 113.86 2ctn h PHE 20 Ca -0.31 -0.00 0.32 0.00 2.80 0.00 0.00 57.97 60.78 2ctn h PHE 20 Cb 2.06 0.03 -0.14 0.00 2.20 0.00 0.00 35.95 40.10 2ctn h PHE 20 CO 0.08 -0.05 0.62 0.87 -0.60 0.00 0.00 178.31 179.23 2ctn h LYS 21 N -0.16 0.33 0.26 1.51 1.57 -1.51 0.15 116.57 118.72 2ctn h LYS 21 Ca -0.01 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2ctn h LYS 21 Cb 0.07 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2ctn h LYS 21 CO 0.02 0.22 -0.12 0.00 -0.57 0.00 0.00 179.45 178.99 2ctn h ALA 22 N 1.77 -0.34 -0.70 3.86 0.00 -1.58 -2.09 119.26 120.18 2ctn h ALA 22 Ca 0.71 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.58 2ctn h ALA 22 Cb 1.70 0.13 -0.06 0.00 0.00 0.00 0.00 17.79 19.56 2ctn h ALA 22 CO -0.52 -0.66 0.40 0.00 0.00 0.00 0.00 179.25 178.47 2ctn h ALA 23 N 0.32 0.95 -0.24 0.00 0.00 0.01 -2.02 119.26 118.28 2ctn h ALA 23 Ca -0.04 0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 2ctn h ALA 23 Cb 0.31 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.91 2ctn h ALA 23 CO 0.06 0.09 -0.13 0.35 0.00 0.00 0.00 179.25 179.61 2ctn h PHE 24 N 0.73 -0.32 0.00 0.00 3.04 -0.89 1.49 116.94 120.99 2ctn h PHE 24 Ca 0.31 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.29 2ctn h PHE 24 Cb 0.19 0.18 0.00 0.00 2.56 0.00 0.00 35.95 38.88 2ctn h PHE 24 CO -0.07 -0.20 0.00 -3.47 -2.02 0.00 0.00 178.31 172.55 2ctn n ASP 25 N -5.30 0.00 -0.02 0.41 2.03 -0.81 -0.57 116.55 112.29 2ctn n ASP 25 Ca -0.01 0.32 0.02 0.00 0.52 0.00 0.00 54.79 55.64 2ctn n ASP 25 Cb 0.21 -0.40 -0.09 0.00 -0.72 0.00 0.00 41.12 40.13 2ctn n ASP 25 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2ctn n ILE 26 N -1.40 0.26 -0.04 5.18 5.41 0.13 -4.51 119.36 124.40 2ctn n ILE 26 Ca 0.04 -0.34 0.00 0.00 1.00 0.00 0.00 62.75 63.45 2ctn n ILE 26 Cb 0.11 -0.10 -0.15 0.00 -0.71 0.00 0.00 39.64 38.79 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 -2.09 0.17 0.56 1.39 3.72 0.47 -4.12 117.46 117.55 2ctn n PHE 27 Ca -0.08 0.05 0.11 0.00 -0.05 0.00 0.00 57.45 57.49 2ctn n PHE 27 Cb 0.50 -0.82 0.45 0.00 -0.94 0.00 0.00 39.48 38.68 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 -2.58 0.70 -0.14 -4.37 0.31 0.26 -3.13 118.33 109.39 2ctn n VAL 28 Ca -0.17 0.09 0.28 0.00 -0.01 0.00 0.00 64.34 64.52 2ctn n VAL 28 Cb 0.87 -0.90 0.72 0.00 -0.91 0.00 0.00 33.84 33.61 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 0.00 -1.93 7.52 -0.00 -1.78 1.47 115.31 120.59 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 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 2ctn h LEU 29 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.05 2ctn n GLY 30 N -1.67 1.08 0.00 0.83 0.00 -1.18 -4.93 105.19 99.32 2ctn n GLY 30 Ca 0.17 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 1.27 0.00 0.00 4.61 0.00 0.50 -5.05 120.51 121.84 2ctn n ALA 31 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 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 -0.07 0.00 -1.30 0.00 4.07 -1.26 -4.89 120.64 117.19 2ctn n GLU 32 Ca 0.00 0.00 -0.06 0.00 -0.06 0.00 0.00 57.16 57.04 2ctn n GLU 32 Cb 0.00 -0.47 0.12 0.00 -0.06 0.00 0.00 31.44 31.03 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2ctn n ASP 33 N -1.12 2.84 -2.84 4.31 8.00 -1.26 -4.96 116.55 121.52 2ctn n ASP 33 Ca 0.00 -3.62 -0.12 0.00 0.71 0.00 0.00 54.79 51.76 2ctn n ASP 33 Cb 0.00 -0.44 0.06 0.00 -0.02 0.00 0.00 41.12 40.72 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 -0.83 -0.44 1.98 0.44 0.00 -1.26 -5.02 105.19 100.06 2ctn n GLY 34 Ca 0.27 0.19 -0.06 0.00 0.00 0.00 0.00 46.02 46.41 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 35 N -2.73 -1.03 -3.43 1.61 3.41 -1.26 -4.80 113.62 105.38 2ctn n SER 35 Ca -0.13 -1.96 -0.20 0.00 -0.26 0.00 0.00 58.87 56.32 2ctn n SER 35 Cb 0.61 1.79 -0.11 0.00 -0.26 0.00 0.00 64.21 66.24 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ctn s ILE 36 N -2.57 -0.31 0.49 -1.33 1.01 -1.08 -4.66 121.20 112.74 2ctn s ILE 36 Ca 0.12 -0.59 -0.18 0.00 0.00 0.00 0.00 60.65 60.01 2ctn s ILE 36 Cb -0.02 -0.98 -0.09 0.00 0.01 0.00 0.00 42.46 41.39 2ctn s ILE 36 CO 0.09 -0.54 0.98 -0.55 0.00 0.00 0.00 174.94 174.91 2ctn s SER 37 N 2.25 6.70 0.59 3.58 0.15 -1.26 -1.89 113.70 123.82 2ctn s SER 37 Ca 0.10 1.62 0.32 0.00 0.70 0.00 0.00 55.95 58.69 2ctn s SER 37 Cb -0.15 -2.52 1.21 0.00 -1.71 0.00 0.00 66.02 62.85 2ctn s SER 37 CO -0.32 -0.53 1.48 0.00 1.20 0.00 0.00 173.24 175.06 2ctn h THR 38 N 1.22 0.08 -0.18 6.45 1.03 -1.71 2.44 112.91 122.24 2ctn h THR 38 Ca -0.47 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.75 2ctn h THR 38 Cb 1.18 0.12 -0.00 0.00 -1.07 0.00 0.00 68.15 68.38 2ctn h THR 38 CO 0.61 0.00 -0.61 0.50 -0.01 0.00 0.00 175.52 176.02 2ctn h LYS 39 N 0.00 0.62 0.00 0.00 1.63 -1.90 -2.94 116.57 113.99 2ctn h LYS 39 Ca 0.55 -0.42 0.00 0.00 -0.85 0.00 0.00 60.65 59.93 2ctn h LYS 39 Cb 2.81 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 34.50 2ctn h LYS 39 CO -0.01 1.04 -1.04 -1.91 -3.45 0.00 0.00 179.45 174.09 2ctn n GLU 40 N -3.94 1.50 0.12 1.90 4.07 0.53 -4.39 120.64 120.43 2ctn n GLU 40 Ca -0.04 -0.05 -0.00 0.00 -0.06 0.00 0.00 57.16 57.01 2ctn n GLU 40 Cb 0.64 -1.27 0.03 0.00 -0.06 0.00 0.00 31.44 30.78 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 -1.41 4.31 7.12 0.33 -3.23 115.31 122.43 2ctn h LEU 41 Ca 0.00 0.00 0.12 0.00 0.13 0.00 0.00 57.88 58.13 2ctn h LEU 41 Cb 0.47 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.55 2ctn h LEU 41 CO 0.00 0.65 0.52 1.23 -0.13 0.00 0.00 178.44 180.71 2ctn h GLY 42 N 3.06 0.98 1.32 3.75 0.00 -1.71 -0.26 103.07 110.21 2ctn h GLY 42 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.02 2ctn h GLY 42 CO 0.08 0.12 0.22 0.50 0.00 0.00 0.00 176.54 177.46 2ctn h LYS 43 N 0.62 0.86 0.05 4.80 1.57 -1.84 -2.95 116.57 119.69 2ctn h LYS 43 Ca 0.38 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 59.02 2ctn h LYS 43 Cb 0.62 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2ctn h LYS 43 CO -0.15 0.72 -0.02 0.28 -0.57 0.00 0.00 179.45 179.71 2ctn h VAL 44 N 0.85 1.03 -0.04 0.50 2.07 -1.21 -2.95 116.25 116.50 2ctn h VAL 44 Ca 0.20 -0.27 0.03 0.00 0.82 0.00 0.00 66.70 67.48 2ctn h VAL 44 Cb 0.20 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.12 2ctn h VAL 44 CO -0.01 0.07 -0.45 0.24 0.02 0.00 0.00 177.57 177.44 2ctn h MET 45 N -0.19 -0.55 -1.11 1.57 2.86 -1.36 0.29 114.93 116.44 2ctn h MET 45 Ca -0.01 0.04 0.31 0.00 -2.06 0.00 0.00 59.70 57.98 2ctn h MET 45 Cb 0.16 0.13 -0.07 0.00 0.06 0.00 0.00 31.60 31.88 2ctn h MET 45 CO 0.01 -0.37 0.76 -0.09 1.06 0.00 0.00 176.91 178.28 2ctn h ARG 46 N -0.57 0.18 0.00 1.72 2.43 -1.50 0.81 114.38 117.45 2ctn h ARG 46 Ca 0.05 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.20 2ctn h ARG 46 Cb 0.66 -0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2ctn h ARG 46 CO -0.35 0.12 -0.03 0.00 -1.51 0.00 0.00 179.97 178.20 2ctn h MET 47 N 0.19 0.00 0.00 0.20 -0.00 -0.81 -3.23 114.93 111.29 2ctn h MET 47 Ca 0.59 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 60.27 2ctn h MET 47 Cb 1.90 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.50 2ctn h MET 47 CO -0.16 0.01 -0.83 -0.07 -0.00 0.00 0.00 176.91 175.86 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 3.38 0.17 -3.47 115.31 115.29 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 1.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2ctn h LEU 48 CO 0.00 0.05 0.00 0.61 0.09 0.00 0.00 178.44 179.19 2ctn n GLY 49 N 1.18 1.82 3.61 0.83 0.00 -0.57 -5.10 105.19 106.96 2ctn n GLY 49 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.07 2.21 -0.41 1.61 -0.21 -0.93 -5.01 119.66 116.85 2ctn s GLN 50 Ca 0.00 -1.21 0.10 0.00 0.02 0.00 0.00 55.36 54.27 2ctn s GLN 50 Cb 0.00 -2.24 0.34 0.00 1.00 0.00 0.00 33.01 32.11 2ctn s GLN 50 CO 0.00 0.44 0.92 -1.71 -2.12 0.00 0.00 175.29 172.82 2ctn n ASN 51 N -0.05 -0.58 -2.52 5.90 2.85 -1.26 -3.55 115.26 116.05 2ctn n ASN 51 Ca -0.10 -3.28 0.00 0.00 -0.11 0.00 0.00 54.58 51.09 2ctn n ASN 51 Cb 0.55 0.52 0.00 0.00 1.24 0.00 0.00 39.78 42.09 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 2ctn n PRO 52 N 0.27 -0.59 -3.56 1.20 -0.04 -1.26 -5.07 135.00 125.94 2ctn n PRO 52 Ca 0.15 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.40 2ctn n PRO 52 Cb 0.69 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.13 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 -0.88 2.43 0.15 0.52 -4.23 -1.26 -5.03 115.64 107.34 2ctn s THR 53 Ca 0.00 -1.33 -0.05 0.00 -1.18 0.00 0.00 61.69 59.13 2ctn s THR 53 Cb 0.00 -2.77 -0.12 0.00 1.34 0.00 0.00 72.50 70.95 2ctn s THR 53 CO 0.00 0.00 1.39 1.55 -0.54 0.00 0.00 174.62 177.02 2ctn h PRO 54 N 0.89 0.53 -0.14 3.99 0.13 -2.01 -3.01 132.00 132.38 2ctn h PRO 54 Ca -0.39 -0.44 -0.20 0.00 -0.87 0.00 0.00 66.00 64.10 2ctn h PRO 54 Cb 1.28 0.09 0.01 0.00 0.13 0.00 0.00 31.00 32.51 2ctn h PRO 54 CO 0.56 1.07 -0.70 1.49 -0.23 0.00 0.00 178.00 180.18 2ctn h GLU 55 N 0.36 0.73 -0.66 0.86 4.81 -2.03 -3.24 114.58 115.41 2ctn h GLU 55 Ca -0.04 -0.59 0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2ctn h GLU 55 Cb 1.35 0.12 -0.04 0.00 0.63 0.00 0.00 28.75 30.81 2ctn h GLU 55 CO 0.14 1.20 0.42 1.49 -0.73 0.00 0.00 179.01 181.53 2ctn h GLU 56 N 0.43 0.81 -0.50 1.92 4.57 -1.97 -3.03 114.58 116.81 2ctn h GLU 56 Ca -0.05 -0.05 0.05 0.00 -1.18 0.00 0.00 59.36 58.14 2ctn h GLU 56 Cb 1.33 -0.18 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 2ctn h GLU 56 CO 0.14 0.54 -0.49 -0.07 -1.18 0.00 0.00 179.01 177.95 2ctn h LEU 57 N 0.84 -1.69 -0.82 1.64 3.38 -1.55 0.13 115.31 117.23 2ctn h LEU 57 Ca 0.26 0.23 0.13 0.00 0.09 0.00 0.00 57.88 58.59 2ctn h LEU 57 Cb -0.02 0.71 -0.14 0.00 0.09 0.00 0.00 40.66 41.30 2ctn h LEU 57 CO -0.09 -0.30 -0.36 -0.61 0.09 0.00 0.00 178.44 177.16 2ctn h GLN 58 N -0.24 -0.07 0.23 1.13 5.75 -1.64 -0.27 115.11 120.00 2ctn h GLN 58 Ca 0.08 0.00 -0.01 0.00 -0.15 0.00 0.00 58.65 58.58 2ctn h GLN 58 Cb 0.47 0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.03 2ctn h GLN 58 CO -0.60 -0.05 -0.12 0.93 -2.65 0.00 0.00 178.83 176.35 2ctn h GLU 59 N -0.07 -0.31 -0.70 1.69 4.39 -1.18 -0.29 114.58 118.12 2ctn h GLU 59 Ca 0.30 0.02 0.07 0.00 0.34 0.00 0.00 59.36 60.09 2ctn h GLU 59 Cb 0.58 0.07 -0.09 0.00 -0.10 0.00 0.00 28.75 29.21 2ctn h GLU 59 CO -0.86 -0.20 -0.50 0.52 -1.16 0.00 0.00 179.01 176.81 2ctn h MET 60 N -0.32 -0.10 -0.34 2.33 2.86 0.95 -0.21 114.93 120.10 2ctn h MET 60 Ca -0.03 0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.60 2ctn h MET 60 Cb 0.25 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 2ctn h MET 60 CO 0.05 -0.07 0.15 0.82 1.06 0.00 0.00 176.91 178.92 2ctn h ILE 61 N -0.11 1.17 -0.10 -1.22 5.03 -1.34 -1.80 117.51 119.14 2ctn h ILE 61 Ca 0.11 -0.49 0.03 0.00 -0.12 0.00 0.00 64.86 64.39 2ctn h ILE 61 Cb 0.40 0.87 -0.00 0.00 -3.03 0.00 0.00 36.82 35.06 2ctn h ILE 61 CO -0.71 0.18 0.49 -0.78 -0.68 0.00 0.00 178.15 176.64 2ctn h ASP 62 N 0.40 0.00 0.00 1.72 1.82 0.62 0.96 116.42 121.94 2ctn h ASP 62 Ca 0.11 0.00 -0.25 0.00 -0.39 0.00 0.00 57.03 56.51 2ctn h ASP 62 Cb 0.14 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.11 2ctn h ASP 62 CO -0.01 0.00 -1.65 -0.62 -1.61 0.00 0.00 179.24 175.35 2ctn n GLU 63 N -2.96 0.55 0.20 0.28 -0.58 -0.37 -4.37 120.64 113.39 2ctn n GLU 63 Ca 0.01 0.35 0.14 0.00 -0.42 0.00 0.00 57.16 57.24 2ctn n GLU 63 Cb 0.56 -1.56 0.53 0.00 -0.57 0.00 0.00 31.44 30.40 2ctn n GLU 63 CO 0.00 0.00 0.00 -0.39 -0.48 0.00 0.00 177.13 176.26 2ctn h VAL 64 N -1.00 0.00 -3.32 2.62 -1.51 -0.86 -3.42 116.25 108.75 2ctn h VAL 64 Ca -0.38 -0.46 -0.58 0.00 -1.23 0.00 0.00 66.70 64.05 2ctn h VAL 64 Cb 1.27 1.37 -0.07 0.00 -2.13 0.00 0.00 31.29 31.73 2ctn h VAL 64 CO -0.23 0.00 0.35 -0.62 -1.23 0.00 0.00 177.57 175.84 2ctn s ASP 65 N -5.12 6.94 0.06 4.19 2.15 0.33 -4.92 116.67 120.30 2ctn s ASP 65 Ca 0.04 1.15 0.26 0.00 0.43 0.00 0.00 52.55 54.43 2ctn s ASP 65 Cb 0.09 -2.44 0.62 0.00 -0.30 0.00 0.00 42.92 40.88 2ctn s ASP 65 CO 0.51 -0.37 1.51 -1.84 -0.17 0.00 0.00 175.17 174.82 2ctn n GLU 66 N 5.10 0.12 0.00 4.34 0.28 -1.26 -3.69 120.64 125.53 2ctn n GLU 66 Ca 0.04 0.05 0.06 0.00 -0.16 0.00 0.00 57.16 57.15 2ctn n GLU 66 Cb 0.49 -1.58 0.00 0.00 1.43 0.00 0.00 31.44 31.78 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 -1.76 1.49 -3.49 -1.84 5.68 -1.26 -5.02 116.55 110.36 2ctn n ASP 67 Ca 0.05 -1.25 -0.18 0.00 -0.50 0.00 0.00 54.79 52.91 2ctn n ASP 67 Cb 0.38 0.42 0.02 0.00 -1.14 0.00 0.00 41.12 40.79 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 1.00 -1.19 0.00 6.12 0.00 -1.24 -4.91 105.19 104.96 2ctn n GLY 68 Ca 0.06 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.59 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 -2.36 2.41 0.00 1.61 3.41 -1.26 -5.01 113.62 112.42 2ctn n SER 69 Ca -0.13 -0.14 0.00 0.00 -0.26 0.00 0.00 58.87 58.34 2ctn n SER 69 Cb 0.59 0.76 0.00 0.00 -0.26 0.00 0.00 64.21 65.30 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 1.48 0.52 3.36 5.00 0.00 -1.26 -5.01 105.19 109.28 2ctn n GLY 70 Ca 0.00 -0.75 -0.28 0.00 0.00 0.00 0.00 46.02 44.99 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 2.14 -0.18 2.61 -4.23 -1.26 -1.68 115.64 111.03 2ctn s THR 71 Ca 0.00 -1.64 -0.03 0.00 -1.18 0.00 0.00 61.69 58.84 2ctn s THR 71 Cb 0.00 -1.88 0.06 0.00 1.34 0.00 0.00 72.50 72.02 2ctn s THR 71 CO 0.00 0.13 0.04 -0.69 -0.54 0.00 0.00 174.62 173.56 2ctn s VAL 72 N -1.01 0.38 0.00 2.29 1.01 -0.79 -4.94 120.40 117.33 2ctn s VAL 72 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 61.98 61.69 2ctn s VAL 72 Cb -0.10 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.39 2ctn s VAL 72 CO 0.05 -0.19 0.00 0.47 0.00 0.00 0.00 175.10 175.43 2ctn n ASP 73 N 5.11 0.00 0.28 3.32 9.92 -1.26 -2.63 116.55 131.28 2ctn n ASP 73 Ca -0.08 -0.30 0.17 0.00 -0.53 0.00 0.00 54.79 54.05 2ctn n ASP 73 Cb 0.48 0.00 0.89 0.00 -0.64 0.00 0.00 41.12 41.85 2ctn n ASP 73 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 2ctn h PHE 74 N -0.17 0.00 0.00 1.24 3.57 -2.00 -0.60 116.94 118.98 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 -0.11 0.22 -2.23 0.00 0.00 178.31 176.19 2ctn h ASP 75 N 0.00 0.00 -0.92 0.41 3.58 -2.01 -3.34 116.42 114.15 2ctn h ASP 75 Ca 0.00 0.00 0.23 0.00 0.42 0.00 0.00 57.03 57.68 2ctn h ASP 75 Cb 0.21 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 41.20 2ctn h ASP 75 CO 0.00 0.19 0.63 -0.33 -2.88 0.00 0.00 179.24 176.84 2ctn h GLU 76 N -0.26 0.24 0.42 0.28 5.08 -1.87 -1.85 114.58 116.62 2ctn h GLU 76 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.11 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.28 2ctn h GLU 76 CO 0.00 0.16 -0.48 0.35 -1.00 0.00 0.00 179.01 178.04 2ctn h PHE 77 N 0.24 -1.34 0.00 4.33 3.57 -1.28 0.23 116.94 122.69 2ctn h PHE 77 Ca 0.47 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.98 2ctn h PHE 77 Cb 1.43 0.53 0.00 0.00 2.79 0.00 0.00 35.95 40.70 2ctn h PHE 77 CO -0.00 -0.62 0.07 -0.07 -2.23 0.00 0.00 178.31 175.46 2ctn h LEU 78 N -0.91 0.00 0.00 0.59 3.38 -1.46 0.29 115.31 117.20 2ctn h LEU 78 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2ctn h LEU 78 Cb 0.80 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.55 2ctn h LEU 78 CO -0.09 0.00 -0.84 0.58 0.09 0.00 0.00 178.44 178.18 2ctn h VAL 79 N 0.00 0.09 0.00 1.22 2.07 -0.36 -3.25 116.25 116.01 2ctn h VAL 79 Ca 0.00 -1.16 0.00 0.00 0.82 0.00 0.00 66.70 66.36 2ctn h VAL 79 Cb 0.15 1.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.61 2ctn h VAL 79 CO 0.00 0.05 0.00 0.80 0.02 0.00 0.00 177.57 178.44 2ctn n MET 80 N -2.81 0.01 -0.03 1.57 1.56 0.10 -3.06 117.12 114.47 2ctn n MET 80 Ca -0.00 0.10 0.04 0.00 -0.27 0.00 0.00 57.70 57.57 2ctn n MET 80 Cb 0.59 -1.51 -0.13 0.00 2.15 0.00 0.00 33.22 34.31 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 -1.53 0.76 0.24 2.12 2.81 -1.22 -3.65 117.12 116.65 2ctn n MET 81 Ca 0.06 -0.12 0.10 0.00 -1.81 0.00 0.00 57.70 55.93 2ctn n MET 81 Cb 0.28 -1.42 0.62 0.00 -0.71 0.00 0.00 33.22 31.99 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 0.74 0.00 2.03 2.07 -1.58 1.05 116.25 120.56 2ctn h VAL 82 Ca -0.13 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.67 2ctn h VAL 82 Cb 1.15 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 2ctn h VAL 82 CO 0.01 0.17 -1.80 0.54 0.02 0.00 0.00 177.57 176.51 2ctn n ARG 83 N -3.76 0.53 -0.26 1.57 1.74 -1.24 -4.36 116.66 110.88 2ctn n ARG 83 Ca -0.02 -0.16 0.08 0.00 -0.77 0.00 0.00 57.85 56.98 2ctn n ARG 83 Cb 0.28 -1.52 0.14 0.00 -1.02 0.00 0.00 32.46 30.35 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctn n SER 84 N -2.11 2.00 0.15 0.55 2.88 -0.98 -4.68 113.62 111.42 2ctn n SER 84 Ca -0.02 -3.17 0.03 0.00 -1.33 0.00 0.00 58.87 54.37 2ctn n SER 84 Cb 0.52 -0.43 0.10 0.00 -0.75 0.00 0.00 64.21 63.65 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 0.25 0.00 0.00 -1.46 2.86 0.95 -3.47 114.93 114.06 2ctn h MET 85 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 2ctn h MET 85 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2ctn h MET 85 CO 0.00 0.51 0.00 0.36 1.06 0.00 0.00 176.91 178.84 2ctn n LYS 86 N -3.32 0.00 0.00 1.72 2.85 -1.26 -5.09 118.16 113.06 2ctn n LYS 86 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 2ctn n LYS 86 Cb 0.69 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 35.07 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 2ctn n ASP 87 N 0.00 0.00 -0.23 -5.58 8.00 -1.26 -2.58 116.55 114.91 2ctn n ASP 87 Ca 0.00 0.00 -0.04 0.00 0.71 0.00 0.00 54.79 55.46 2ctn n ASP 87 Cb 0.00 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.11 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2ctn h ASP 88 N 6.98 -1.16 0.00 -2.24 3.58 -2.00 -3.54 116.42 118.03 2ctn h ASP 88 Ca 0.00 0.24 0.00 0.00 0.42 0.00 0.00 57.03 57.69 2ctn h ASP 88 Cb 0.00 0.59 0.00 0.00 1.72 0.00 0.00 39.33 41.64 2ctn h ASP 88 CO 0.00 -0.30 0.00 -0.24 -2.88 0.00 0.00 179.24 175.82