#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 5.26 0.13 0.00 8.00 -1.26 -4.75 116.55 123.93 2ctn n ASP 3 Ca 0.00 -3.75 -0.06 0.00 0.71 0.00 0.00 54.79 51.69 2ctn n ASP 3 Cb 0.00 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.12 40.59 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 0.00 0.09 0.53 2.04 -2.07 -3.19 117.51 117.09 2ctn h ILE 4 Ca 0.38 -0.59 -0.29 0.00 1.00 0.00 0.00 64.86 65.36 2ctn h ILE 4 Cb 1.20 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 2ctn h ILE 4 CO 0.90 0.00 -1.49 1.88 0.00 0.00 0.00 178.15 179.44 2ctn h TYR 5 N -0.99 0.33 -0.46 1.37 0.05 -1.97 -3.35 116.97 111.94 2ctn h TYR 5 Ca -0.04 -0.24 0.09 0.00 0.05 0.00 0.00 58.73 58.59 2ctn h TYR 5 Cb 0.31 -0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.96 2ctn h TYR 5 CO 0.01 1.29 -0.05 0.87 -1.05 0.00 0.00 178.16 179.23 2ctn h LYS 6 N 0.05 0.06 -0.97 4.88 6.56 -1.86 0.23 116.57 125.52 2ctn h LYS 6 Ca -0.22 -0.00 0.28 0.00 -1.06 0.00 0.00 60.65 59.65 2ctn h LYS 6 Cb 1.98 -0.01 -0.04 0.00 -0.57 0.00 0.00 32.23 33.59 2ctn h LYS 6 CO 0.14 0.04 0.79 0.00 -2.06 0.00 0.00 179.45 178.37 2ctn h ALA 7 N 1.43 2.86 0.00 3.86 0.00 -1.68 0.78 119.26 126.50 2ctn h ALA 7 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2ctn h ALA 7 Cb 0.34 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.20 2ctn h ALA 7 CO -0.42 -1.29 -0.10 0.00 0.00 0.00 0.00 179.25 177.44 2ctn h ALA 8 N 1.33 0.02 -0.25 0.00 0.00 -0.74 -3.24 119.26 116.38 2ctn h ALA 8 Ca 0.46 -0.37 0.07 0.00 0.00 0.00 0.00 54.91 55.07 2ctn h ALA 8 Cb 2.04 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 2ctn h ALA 8 CO -0.00 0.06 0.20 0.28 0.00 0.00 0.00 179.25 179.79 2ctn h VAL 9 N -1.00 0.75 0.00 0.00 2.07 -0.73 0.13 116.25 117.47 2ctn h VAL 9 Ca -0.02 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.44 2ctn h VAL 9 Cb 0.65 0.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 2ctn h VAL 9 CO -0.01 0.00 -0.26 -0.33 0.02 0.00 0.00 177.57 176.99 2ctn h GLU 10 N 0.00 0.00 -0.13 1.57 5.08 -0.98 -2.17 114.58 117.95 2ctn h GLU 10 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 2ctn h GLU 10 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2ctn h GLU 10 CO -0.00 0.26 0.00 1.04 -1.00 0.00 0.00 179.01 179.30 2ctn n GLN 11 N -3.58 1.66 -0.69 2.33 6.02 0.45 -4.92 117.38 118.65 2ctn n GLN 11 Ca -0.01 -0.99 -0.29 0.00 -0.01 0.00 0.00 57.00 55.70 2ctn n GLN 11 Cb 0.39 -1.40 0.22 0.00 1.02 0.00 0.00 30.24 30.47 2ctn n GLN 11 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2ctn s LEU 12 N -1.64 1.48 0.24 1.08 1.43 -0.82 -5.03 118.68 115.42 2ctn s LEU 12 Ca 0.33 1.65 0.06 0.00 -1.03 0.00 0.00 54.13 55.14 2ctn s LEU 12 Cb 0.18 -3.74 -0.03 0.00 0.03 0.00 0.00 46.19 42.63 2ctn s LEU 12 CO 0.27 -3.74 0.23 -0.89 0.23 0.00 0.00 176.35 172.46 2ctn s THR 13 N -2.58 4.68 0.66 5.49 2.01 -1.26 -4.96 115.64 119.67 2ctn s THR 13 Ca 0.67 -1.24 0.32 0.00 0.31 0.00 0.00 61.69 61.74 2ctn s THR 13 Cb -0.23 -3.51 0.33 0.00 0.01 0.00 0.00 72.50 69.09 2ctn s THR 13 CO 0.62 -0.31 1.98 -0.33 -0.69 0.00 0.00 174.62 175.89 2ctn h GLU 14 N 1.54 0.00 0.00 4.92 4.39 -1.99 0.39 114.58 123.83 2ctn h GLU 14 Ca -0.49 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 2ctn h GLU 14 Cb 1.23 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 2ctn h GLU 14 CO 0.61 0.00 -0.58 1.49 -1.16 0.00 0.00 179.01 179.37 2ctn h GLU 15 N 0.00 0.00 0.10 2.33 4.22 -1.99 -2.89 114.58 116.35 2ctn h GLU 15 Ca 0.02 0.00 -0.22 0.00 0.08 0.00 0.00 59.36 59.24 2ctn h GLU 15 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.87 2ctn h GLU 15 CO -0.00 0.58 -1.08 1.96 -2.18 0.00 0.00 179.01 178.29 2ctn h GLN 16 N 0.00 0.22 0.00 1.92 1.08 -0.62 -3.20 115.11 114.51 2ctn h GLN 16 Ca -0.01 -0.37 -0.02 0.00 -1.45 0.00 0.00 58.65 56.80 2ctn h GLN 16 Cb 1.41 0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.98 2ctn h GLN 16 CO 0.08 1.18 -0.10 0.87 -0.95 0.00 0.00 178.83 179.90 2ctn h LYS 17 N -0.45 0.00 0.00 1.46 1.57 -1.54 -1.99 116.57 115.62 2ctn h LYS 17 Ca -0.23 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.42 2ctn h LYS 17 Cb 1.61 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.90 2ctn h LYS 17 CO 0.06 0.10 -0.65 -0.91 -0.57 0.00 0.00 179.45 177.48 2ctn h ASN 18 N 0.00 0.00 0.45 0.86 2.35 -1.60 -2.34 115.58 115.30 2ctn h ASN 18 Ca -0.00 0.00 -0.31 0.00 -0.55 0.00 0.00 56.30 55.44 2ctn h ASN 18 Cb 0.37 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.73 2ctn h ASN 18 CO 0.01 0.65 -1.56 -0.08 -1.65 0.00 0.00 177.43 174.80 2ctn h GLU 19 N 0.00 0.23 -0.00 0.81 4.57 -1.39 -3.08 114.58 115.72 2ctn h GLU 19 Ca -0.01 -0.39 -0.01 0.00 -1.18 0.00 0.00 59.36 57.77 2ctn h GLU 19 Cb 1.44 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 30.18 2ctn h GLU 19 CO 0.08 1.08 -0.03 0.74 -1.18 0.00 0.00 179.01 179.71 2ctn h PHE 20 N 0.06 0.03 -0.42 0.92 0.04 -1.46 0.11 116.94 116.22 2ctn h PHE 20 Ca -0.25 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.54 2ctn h PHE 20 Cb 2.01 -0.00 -0.04 0.00 2.20 0.00 0.00 35.95 40.12 2ctn h PHE 20 CO 0.06 0.80 0.21 0.87 -0.60 0.00 0.00 178.31 179.65 2ctn h LYS 21 N -0.75 0.41 0.21 1.51 1.57 -1.59 -0.34 116.57 117.60 2ctn h LYS 21 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.74 2ctn h LYS 21 Cb 0.80 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.02 2ctn h LYS 21 CO 0.01 0.27 -0.10 0.00 -0.57 0.00 0.00 179.45 179.06 2ctn h ALA 22 N 1.23 -0.29 -0.49 3.86 0.00 -1.63 -3.02 119.26 118.92 2ctn h ALA 22 Ca 0.18 -0.21 0.09 0.00 0.00 0.00 0.00 54.91 54.98 2ctn h ALA 22 Cb 0.09 0.11 -0.10 0.00 0.00 0.00 0.00 17.79 17.89 2ctn h ALA 22 CO -0.13 -0.40 -0.28 0.00 0.00 0.00 0.00 179.25 178.44 2ctn h ALA 23 N -0.25 -0.01 -0.82 0.00 0.00 -0.87 0.17 119.26 117.47 2ctn h ALA 23 Ca -0.03 0.15 0.17 0.00 0.00 0.00 0.00 54.91 55.20 2ctn h ALA 23 Cb 0.51 0.66 -0.11 0.00 0.00 0.00 0.00 17.79 18.85 2ctn h ALA 23 CO 0.05 -0.64 0.33 0.35 0.00 0.00 0.00 179.25 179.34 2ctn h PHE 24 N -0.17 0.56 -0.00 0.00 3.04 -1.12 0.30 116.94 119.54 2ctn h PHE 24 Ca 0.21 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 62.09 2ctn h PHE 24 Cb 0.52 -0.12 -0.02 0.00 2.56 0.00 0.00 35.95 38.89 2ctn h PHE 24 CO -0.55 0.01 -0.55 -0.44 -2.02 0.00 0.00 178.31 174.77 2ctn h ASP 25 N 0.42 0.01 0.74 0.41 3.32 -0.67 0.31 116.42 120.97 2ctn h ASP 25 Ca 0.48 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.52 2ctn h ASP 25 Cb 0.81 -0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.35 2ctn h ASP 25 CO -0.46 0.56 0.00 -0.38 -1.72 0.00 0.00 179.24 177.23 2ctn n ILE 26 N -3.89 0.01 -0.02 0.35 5.41 0.86 -3.60 119.36 118.48 2ctn n ILE 26 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 62.75 63.72 2ctn n ILE 26 Cb 0.56 -0.51 -0.03 0.00 -0.71 0.00 0.00 39.64 38.95 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 -1.37 0.00 0.77 1.39 3.72 -0.13 -4.54 117.46 117.30 2ctn n PHE 27 Ca 0.11 0.00 0.09 0.00 -0.05 0.00 0.00 57.45 57.60 2ctn n PHE 27 Cb 0.28 -0.18 0.43 0.00 -0.94 0.00 0.00 39.48 39.07 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 -2.17 0.58 -0.18 -4.37 0.31 0.11 -3.21 118.33 109.40 2ctn n VAL 28 Ca -0.06 0.14 0.27 0.00 -0.01 0.00 0.00 64.34 64.68 2ctn n VAL 28 Cb 0.62 -0.84 0.69 0.00 -0.91 0.00 0.00 33.84 33.40 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 0.06 -1.56 7.52 4.07 -1.79 0.48 115.31 124.08 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.97 2ctn h LEU 29 Cb 0.22 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.96 2ctn h LEU 29 CO 0.00 0.02 -0.03 0.61 -1.08 0.00 0.00 178.44 177.96 2ctn n GLY 30 N -1.68 0.17 0.00 0.83 0.00 -1.20 -5.00 105.19 98.32 2ctn n GLY 30 Ca 0.18 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.74 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 0.82 0.00 0.00 4.61 0.00 0.17 -5.00 120.51 121.11 2ctn n ALA 31 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2ctn n ALA 31 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -1.24 0.98 -1.69 0.00 2.13 -1.26 -4.85 120.64 114.70 2ctn n GLU 32 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2ctn n GLU 32 Cb 0.00 -0.78 0.08 0.00 0.27 0.00 0.00 31.44 31.01 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 -1.76 2.43 -2.25 4.31 8.00 -1.26 -4.96 116.55 121.07 2ctn n ASP 33 Ca 0.00 -3.03 -0.10 0.00 0.71 0.00 0.00 54.79 52.37 2ctn n ASP 33 Cb 0.28 -0.42 0.05 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.54 0.06 0.00 0.44 0.00 -1.26 -5.01 105.19 98.88 2ctn n GLY 34 Ca 0.21 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.05 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 -1.78 0.00 -3.51 1.61 3.41 -1.26 -4.80 113.62 107.29 2ctn n SER 35 Ca -0.11 -0.34 -0.20 0.00 -0.26 0.00 0.00 58.87 57.96 2ctn n SER 35 Cb 0.57 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.39 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 -2.58 -0.27 0.52 -1.33 1.01 -0.47 -4.62 121.20 113.46 2ctn s ILE 36 Ca 0.00 -0.20 -0.17 0.00 0.00 0.00 0.00 60.65 60.29 2ctn s ILE 36 Cb 0.00 -0.70 -0.07 0.00 0.01 0.00 0.00 42.46 41.70 2ctn s ILE 36 CO 0.00 -0.28 1.00 -0.55 0.00 0.00 0.00 174.94 175.11 2ctn s SER 37 N 2.28 6.49 0.59 3.58 0.15 -1.26 -1.06 113.70 124.47 2ctn s SER 37 Ca 0.06 1.62 0.29 0.00 0.70 0.00 0.00 55.95 58.63 2ctn s SER 37 Cb -0.16 -2.52 1.30 0.00 -1.71 0.00 0.00 66.02 62.93 2ctn s SER 37 CO -0.15 -0.68 1.66 0.00 1.20 0.00 0.00 173.24 175.28 2ctn h THR 38 N 0.90 0.21 0.01 6.45 1.03 -1.80 2.37 112.91 122.07 2ctn h THR 38 Ca -0.47 0.00 -0.25 0.00 -0.01 0.00 0.00 66.41 65.69 2ctn h THR 38 Cb 1.19 0.36 -0.03 0.00 -1.07 0.00 0.00 68.15 68.60 2ctn h THR 38 CO 0.61 0.00 -1.28 0.50 -0.01 0.00 0.00 175.52 175.34 2ctn h LYS 39 N 0.00 0.02 0.00 0.00 3.11 -1.90 -3.00 116.57 114.81 2ctn h LYS 39 Ca 0.36 -0.04 -0.22 0.00 -2.81 0.00 0.00 60.65 57.95 2ctn h LYS 39 Cb 1.97 0.01 -0.04 0.00 -1.00 0.00 0.00 32.23 33.18 2ctn h LYS 39 CO -0.00 0.84 -2.04 -1.91 -2.81 0.00 0.00 179.45 173.53 2ctn n GLU 40 N -3.26 0.66 0.18 1.90 4.07 0.29 -4.16 120.64 120.33 2ctn n GLU 40 Ca -0.07 -0.00 0.12 0.00 -0.06 0.00 0.00 57.16 57.15 2ctn n GLU 40 Cb 0.99 -1.59 0.25 0.00 -0.06 0.00 0.00 31.44 31.03 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 -1.87 4.31 6.46 0.34 -3.25 115.31 121.30 2ctn h LEU 41 Ca -0.30 0.00 0.23 0.00 -0.12 0.00 0.00 57.88 57.69 2ctn h LEU 41 Cb 1.74 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 41.63 2ctn h LEU 41 CO 0.03 0.00 0.59 1.23 -0.62 0.00 0.00 178.44 179.66 2ctn h GLY 42 N 4.15 0.24 2.00 3.75 0.00 -1.68 0.79 103.07 112.32 2ctn h GLY 42 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.28 2ctn h GLY 42 CO 0.00 -0.00 0.00 0.50 0.00 0.00 0.00 176.54 177.04 2ctn h LYS 43 N 0.11 0.00 0.15 4.80 1.57 -1.83 -2.99 116.57 118.38 2ctn h LYS 43 Ca 0.41 0.00 -0.29 0.00 -1.87 0.00 0.00 60.65 58.90 2ctn h LYS 43 Cb 1.45 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.77 2ctn h LYS 43 CO -0.05 0.00 -1.44 0.28 -0.57 0.00 0.00 179.45 177.67 2ctn h VAL 44 N 0.00 1.09 -0.29 0.50 2.07 0.36 -3.11 116.25 116.87 2ctn h VAL 44 Ca 0.00 -2.48 -0.05 0.00 0.82 0.00 0.00 66.70 64.99 2ctn h VAL 44 Cb 0.92 2.82 -0.01 0.00 -1.52 0.00 0.00 31.29 33.50 2ctn h VAL 44 CO 0.00 0.76 -0.02 0.24 0.02 0.00 0.00 177.57 178.57 2ctn h MET 45 N -0.15 0.53 0.00 1.57 2.86 -1.36 -2.66 114.93 115.71 2ctn h MET 45 Ca -0.29 -0.18 -0.02 0.00 -2.06 0.00 0.00 59.70 57.15 2ctn h MET 45 Cb 1.88 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 33.50 2ctn h MET 45 CO 0.13 0.69 -0.10 -0.09 1.06 0.00 0.00 176.91 178.60 2ctn h ARG 46 N 0.31 0.00 0.00 1.72 1.12 -1.57 -2.21 114.38 113.75 2ctn h ARG 46 Ca 0.08 0.00 -0.07 0.00 -1.11 0.00 0.00 59.98 58.88 2ctn h ARG 46 Cb 0.47 0.00 -0.01 0.00 -0.01 0.00 0.00 29.97 30.42 2ctn h ARG 46 CO 0.02 0.10 -0.36 0.00 -3.11 0.00 0.00 179.97 176.62 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.41 -3.40 114.93 110.32 2ctn h MET 47 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2ctn h MET 47 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.02 2ctn h MET 47 CO 0.01 0.35 0.00 1.28 -0.00 0.00 0.00 176.91 178.55 2ctn n LEU 48 N -3.18 1.25 -1.28 -0.10 4.77 -0.87 -4.98 117.00 112.60 2ctn n LEU 48 Ca 0.03 0.18 -0.01 0.00 -0.03 0.00 0.00 56.01 56.18 2ctn n LEU 48 Cb 0.67 -0.23 0.01 0.00 -2.33 0.00 0.00 43.42 41.54 2ctn n LEU 48 CO 0.39 -0.23 0.22 0.61 -1.33 0.00 0.00 177.39 177.05 2ctn n GLY 49 N 2.22 -0.37 3.19 -0.72 0.00 -1.11 -5.13 105.19 103.27 2ctn n GLY 49 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 46.02 45.80 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 0.02 0.92 -0.43 1.61 1.11 -0.94 -5.04 119.66 116.90 2ctn s GLN 50 Ca 0.01 -0.96 0.10 0.00 0.01 0.00 0.00 55.36 54.52 2ctn s GLN 50 Cb 0.05 -0.98 0.36 0.00 -1.01 0.00 0.00 33.01 31.43 2ctn s GLN 50 CO -0.02 0.23 0.82 -1.71 0.01 0.00 0.00 175.29 174.62 2ctn n ASN 51 N 1.36 2.05 -4.77 5.90 4.05 -1.26 -3.56 115.26 119.02 2ctn n ASN 51 Ca -0.20 -3.21 -0.37 0.00 0.45 0.00 0.00 54.58 51.25 2ctn n ASN 51 Cb 0.54 -0.59 -0.02 0.00 1.23 0.00 0.00 39.78 40.94 2ctn n ASN 51 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2ctn s PRO 52 N -2.81 3.98 0.94 1.20 0.04 -1.26 -5.04 135.00 132.05 2ctn s PRO 52 Ca 0.42 1.74 -0.15 0.00 0.04 0.00 0.00 61.00 63.05 2ctn s PRO 52 Cb 0.34 -2.55 0.18 0.00 0.04 0.00 0.00 34.50 32.51 2ctn s PRO 52 CO -0.09 -0.36 1.30 0.95 0.04 0.00 0.00 177.00 178.84 2ctn s THR 53 N -1.51 2.00 0.17 1.26 -4.23 -1.26 -4.86 115.64 107.20 2ctn s THR 53 Ca 0.59 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.06 2ctn s THR 53 Cb -0.28 -2.99 -0.09 0.00 1.34 0.00 0.00 72.50 70.48 2ctn s THR 53 CO 0.35 0.00 1.45 1.55 -0.54 0.00 0.00 174.62 177.43 2ctn h PRO 54 N -1.57 0.55 -0.11 3.99 0.13 -1.99 -1.42 132.00 131.58 2ctn h PRO 54 Ca -0.45 -0.39 -0.20 0.00 -0.87 0.00 0.00 66.00 64.10 2ctn h PRO 54 Cb 1.25 0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.44 2ctn h PRO 54 CO 0.42 1.01 -0.73 1.05 -0.23 0.00 0.00 178.00 179.52 2ctn h GLU 55 N 0.40 0.55 0.00 0.86 4.11 -2.03 -3.09 114.58 115.38 2ctn h GLU 55 Ca -0.01 -0.44 0.00 0.00 0.07 0.00 0.00 59.36 58.98 2ctn h GLU 55 Cb 1.21 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.55 2ctn h GLU 55 CO 0.12 1.06 0.00 0.93 0.07 0.00 0.00 179.01 181.19 2ctn h GLU 56 N 0.38 0.00 0.52 1.06 4.39 -1.93 -3.30 114.58 115.70 2ctn h GLU 56 Ca -0.03 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 2ctn h GLU 56 Cb 1.32 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.98 2ctn h GLU 56 CO 0.14 0.00 -0.25 -0.07 -1.16 0.00 0.00 179.01 177.66 2ctn h LEU 57 N 0.00 -0.59 -0.60 1.33 3.38 -1.17 0.43 115.31 118.10 2ctn h LEU 57 Ca 0.00 -0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ctn h LEU 57 Cb 0.94 0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.80 2ctn h LEU 57 CO 0.00 -0.37 0.35 -0.61 0.09 0.00 0.00 178.44 177.90 2ctn h GLN 58 N -0.77 0.67 0.16 1.13 5.75 -1.67 -2.69 115.11 117.69 2ctn h GLN 58 Ca -0.07 -0.04 -0.01 0.00 -0.15 0.00 0.00 58.65 58.38 2ctn h GLN 58 Cb 0.57 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.97 2ctn h GLN 58 CO 0.12 0.44 -0.07 1.49 -2.65 0.00 0.00 178.83 178.16 2ctn h GLU 59 N 0.69 -0.20 -0.77 1.69 4.81 -1.60 -0.45 114.58 118.75 2ctn h GLU 59 Ca 0.25 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.61 2ctn h GLU 59 Cb 0.06 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.36 2ctn h GLU 59 CO -0.12 0.09 -0.39 1.98 -0.73 0.00 0.00 179.01 179.84 2ctn h MET 60 N -0.49 -0.10 0.08 1.92 4.05 0.07 -1.36 114.93 119.10 2ctn h MET 60 Ca -0.02 0.01 -0.00 0.00 -0.28 0.00 0.00 59.70 59.40 2ctn h MET 60 Cb 0.38 0.02 0.00 0.00 -0.80 0.00 0.00 31.60 31.21 2ctn h MET 60 CO 0.04 -0.07 -0.04 0.82 0.23 0.00 0.00 176.91 177.89 2ctn h ILE 61 N -0.10 1.13 -1.38 1.77 5.03 -1.47 -2.84 117.51 119.66 2ctn h ILE 61 Ca 0.26 -0.83 0.40 0.00 -0.12 0.00 0.00 64.86 64.57 2ctn h ILE 61 Cb 0.56 1.66 -0.06 0.00 -3.03 0.00 0.00 36.82 35.96 2ctn h ILE 61 CO -0.82 0.20 1.26 -0.78 -0.68 0.00 0.00 178.15 177.34 2ctn h ASP 62 N -0.49 0.00 0.03 1.72 1.82 0.00 1.55 116.42 121.06 2ctn h ASP 62 Ca -0.01 0.00 -0.23 0.00 -0.39 0.00 0.00 57.03 56.40 2ctn h ASP 62 Cb 0.42 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.40 2ctn h ASP 62 CO 0.02 0.00 -1.24 -0.33 -1.61 0.00 0.00 179.24 176.08 2ctn h GLU 63 N 0.00 0.07 -0.00 0.28 5.08 -1.16 -3.35 114.58 115.50 2ctn h GLU 63 Ca 0.65 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.89 2ctn h GLU 63 Cb 3.17 0.04 0.00 0.00 0.50 0.00 0.00 28.75 32.47 2ctn h GLU 63 CO -0.01 1.06 -0.06 1.33 -1.00 0.00 0.00 179.01 180.33 2ctn n VAL 64 N -4.26 0.00 -2.17 3.13 0.24 0.94 -4.82 118.33 111.39 2ctn n VAL 64 Ca -0.29 -0.04 -0.42 0.00 -2.04 0.00 0.00 64.34 61.56 2ctn n VAL 64 Cb 0.74 -0.27 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 2ctn n VAL 64 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 2ctn s ASP 65 N -2.46 6.81 0.00 -1.34 1.01 0.49 -4.87 116.67 116.31 2ctn s ASP 65 Ca 0.31 2.19 0.30 0.00 0.71 0.00 0.00 52.55 56.06 2ctn s ASP 65 Cb 0.20 -2.56 1.53 0.00 1.01 0.00 0.00 42.92 43.10 2ctn s ASP 65 CO 0.46 -0.74 2.04 -1.84 0.21 0.00 0.00 175.17 175.29 2ctn n GLU 66 N 5.28 0.72 -0.24 8.23 0.28 -1.26 -3.80 120.64 129.86 2ctn n GLU 66 Ca 0.13 -0.11 0.00 0.00 -0.16 0.00 0.00 57.16 57.02 2ctn n GLU 66 Cb 0.43 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 31.80 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 -1.04 0.00 -3.29 -1.84 5.68 -1.26 -5.06 116.55 109.73 2ctn n ASP 67 Ca 0.17 -1.32 -0.27 0.00 -0.50 0.00 0.00 54.79 52.87 2ctn n ASP 67 Cb 0.22 -0.06 0.03 0.00 -1.14 0.00 0.00 41.12 40.16 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 0.00 -0.42 0.03 6.12 0.00 -1.25 -4.92 105.19 104.75 2ctn n GLY 68 Ca 0.00 1.16 0.00 0.00 0.00 0.00 0.00 46.02 47.18 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 -0.36 0.00 -3.56 1.61 3.41 -1.26 -5.00 113.62 108.46 2ctn n SER 69 Ca -0.03 -1.05 -0.26 0.00 -0.26 0.00 0.00 58.87 57.27 2ctn n SER 69 Cb 0.61 -0.01 0.01 0.00 -0.26 0.00 0.00 64.21 64.56 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 0.00 -0.49 2.91 5.00 0.00 -1.26 -4.95 105.19 106.39 2ctn n GLY 70 Ca 0.00 0.14 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.12 0.08 -0.09 2.61 -4.23 -1.26 -2.15 115.64 107.47 2ctn s THR 71 Ca 0.50 -0.23 0.02 0.00 -1.18 0.00 0.00 61.69 60.80 2ctn s THR 71 Cb -0.26 -0.11 0.01 0.00 1.34 0.00 0.00 72.50 73.49 2ctn s THR 71 CO 0.62 -0.10 -0.15 -0.69 -0.54 0.00 0.00 174.62 173.76 2ctn s VAL 72 N -0.34 1.39 0.00 2.29 1.01 -0.23 -4.90 120.40 119.62 2ctn s VAL 72 Ca -0.03 -0.61 0.00 0.00 0.00 0.00 0.00 61.98 61.34 2ctn s VAL 72 Cb -0.02 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 35.10 2ctn s VAL 72 CO -0.00 0.41 0.00 0.47 0.00 0.00 0.00 175.10 175.98 2ctn n ASP 73 N 3.92 0.60 0.27 3.32 9.92 -1.26 -1.37 116.55 131.95 2ctn n ASP 73 Ca -0.21 -0.21 0.17 0.00 -0.53 0.00 0.00 54.79 54.00 2ctn n ASP 73 Cb 0.52 0.00 0.89 0.00 -0.64 0.00 0.00 41.12 41.88 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 0.06 0.00 0.00 1.24 3.57 -2.00 -1.34 116.94 118.47 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 -3.47 -2.23 0.00 0.00 178.31 172.50 2ctn n ASP 75 N -2.71 0.29 -0.34 0.41 -0.08 -1.26 -3.87 116.55 108.99 2ctn n ASP 75 Ca -0.02 0.22 0.36 0.00 -1.51 0.00 0.00 54.79 53.84 2ctn n ASP 75 Cb 0.14 -0.55 0.74 0.00 2.34 0.00 0.00 41.12 43.79 2ctn n ASP 75 CO 0.00 0.00 0.00 -0.33 0.12 0.00 0.00 177.20 176.99 2ctn h GLU 76 N -0.16 0.00 0.25 -0.67 5.08 -1.90 -1.64 114.58 115.54 2ctn h GLU 76 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ctn h GLU 76 Cb 0.11 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 -0.12 0.35 -1.00 0.00 0.00 179.01 178.24 2ctn h PHE 77 N 0.00 -0.31 -0.79 4.33 3.57 -1.43 0.47 116.94 122.78 2ctn h PHE 77 Ca 0.59 -0.01 0.23 0.00 3.53 0.00 0.00 57.97 62.31 2ctn h PHE 77 Cb 2.43 0.10 -0.03 0.00 2.79 0.00 0.00 35.95 41.24 2ctn h PHE 77 CO 0.00 -0.19 0.65 -0.07 -2.23 0.00 0.00 178.31 176.47 2ctn h LEU 78 N -0.39 0.00 0.00 0.59 3.38 -1.44 1.53 115.31 118.97 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 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 2ctn h LEU 78 CO 0.06 0.00 -0.38 0.58 0.09 0.00 0.00 178.44 178.78 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -1.07 -3.19 116.25 115.28 2ctn h VAL 79 Ca 0.38 -0.58 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2ctn h VAL 79 Cb 1.68 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.79 2ctn h VAL 79 CO -0.00 0.00 0.00 -0.03 0.02 0.00 0.00 177.57 177.56 2ctn h MET 80 N 0.00 0.00 0.00 1.57 1.85 0.71 -3.11 114.93 115.95 2ctn h MET 80 Ca 0.00 0.00 -0.31 0.00 -0.61 0.00 0.00 59.70 58.78 2ctn h MET 80 Cb 0.79 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.76 2ctn h MET 80 CO 0.00 0.00 -2.30 -1.33 -0.40 0.00 0.00 176.91 172.88 2ctn n MET 81 N -2.36 0.68 -0.30 0.39 2.81 -1.14 -3.79 117.12 113.41 2ctn n MET 81 Ca 0.04 -0.03 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 2ctn n MET 81 Cb 0.35 -1.53 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 1.05 0.00 2.03 2.07 -1.53 1.82 116.25 121.69 2ctn h VAL 82 Ca -0.45 -0.33 -0.13 0.00 0.82 0.00 0.00 66.70 66.60 2ctn h VAL 82 Cb 2.04 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 2ctn h VAL 82 CO 0.03 0.17 -0.64 0.03 0.02 0.00 0.00 177.57 177.18 2ctn h ARG 83 N 0.95 0.00 -0.52 1.57 3.08 -1.74 -3.06 114.38 114.66 2ctn h ARG 83 Ca 0.36 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.41 2ctn h ARG 83 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.20 2ctn h ARG 83 CO -0.17 0.64 0.00 0.43 -1.07 0.00 0.00 179.97 179.80 2ctn n SER 84 N -3.51 3.59 -0.13 7.04 7.64 -0.36 -4.41 113.62 123.47 2ctn n SER 84 Ca -0.00 -1.99 -0.29 0.00 1.01 0.00 0.00 58.87 57.60 2ctn n SER 84 Cb 0.69 -0.34 -0.10 0.00 -1.01 0.00 0.00 64.21 63.45 2ctn n SER 84 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 2ctn n MET 85 N 1.52 0.59 -2.02 1.43 2.81 0.61 -4.84 117.12 117.21 2ctn n MET 85 Ca 0.21 0.31 -0.19 0.00 -1.81 0.00 0.00 57.70 56.22 2ctn n MET 85 Cb 0.60 -1.53 -0.04 0.00 -0.71 0.00 0.00 33.22 31.54 2ctn n MET 85 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 2ctn n LYS 86 N -4.28 -1.63 -2.75 0.03 3.00 -1.20 -1.15 118.16 110.18 2ctn n LYS 86 Ca -0.51 1.01 -0.10 0.00 -0.00 0.00 0.00 58.31 58.71 2ctn n LYS 86 Cb 0.86 -5.53 -0.01 0.00 0.00 0.00 0.00 35.03 30.35 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2ctn n ASP 87 N -1.60 -2.19 0.00 3.14 9.92 -1.26 -3.86 116.55 120.69 2ctn n ASP 87 Ca -0.21 0.17 0.00 0.00 -0.53 0.00 0.00 54.79 54.22 2ctn n ASP 87 Cb 0.65 -1.94 0.00 0.00 -0.64 0.00 0.00 41.12 39.19 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 2ctn n ASP 88 N -1.76 0.00 0.00 -2.24 -0.08 -0.82 -5.30 116.55 106.35 2ctn n ASP 88 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 2ctn n ASP 88 Cb 0.53 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.99 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78