#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 6.22 -0.03 0.00 -4.77 -1.26 -4.80 116.67 112.04 2ctn s ASP 3 Ca 0.00 -1.44 -0.02 0.00 -3.30 0.00 0.00 52.55 47.79 2ctn s ASP 3 Cb 0.00 -2.32 -0.01 0.00 -1.09 0.00 0.00 42.92 39.50 2ctn s ASP 3 CO 0.00 -1.14 -0.04 -0.38 0.70 0.00 0.00 175.17 174.30 2ctn n ILE 4 N 5.55 0.25 0.02 2.11 5.41 -1.26 -4.74 119.36 126.70 2ctn n ILE 4 Ca -0.06 -0.02 -0.20 0.00 1.00 0.00 0.00 62.75 63.46 2ctn n ILE 4 Cb 0.43 -1.55 -0.14 0.00 -0.71 0.00 0.00 39.64 37.67 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 -0.12 0.49 -0.83 1.39 0.05 -1.96 -3.37 116.97 112.63 2ctn h TYR 5 Ca -0.08 -0.36 0.20 0.00 0.05 0.00 0.00 58.73 58.54 2ctn h TYR 5 Cb 1.01 -0.02 -0.15 0.00 1.01 0.00 0.00 36.73 38.58 2ctn h TYR 5 CO -0.01 1.67 -0.01 0.87 -1.05 0.00 0.00 178.16 179.63 2ctn h LYS 6 N 0.07 0.07 -0.99 4.88 1.79 -1.92 1.07 116.57 121.55 2ctn h LYS 6 Ca -0.38 -0.00 0.24 0.00 -2.18 0.00 0.00 60.65 58.32 2ctn h LYS 6 Cb 2.05 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 32.60 2ctn h LYS 6 CO 0.11 0.05 0.65 0.00 -1.08 0.00 0.00 179.45 179.18 2ctn h ALA 7 N 1.80 2.26 0.13 3.86 0.00 -1.85 -0.62 119.26 124.84 2ctn h ALA 7 Ca 0.47 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 2ctn h ALA 7 Cb 0.85 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2ctn h ALA 7 CO -0.76 -0.61 -0.06 0.00 0.00 0.00 0.00 179.25 177.82 2ctn h ALA 8 N 1.60 -0.17 -0.57 0.00 0.00 0.97 -3.16 119.26 117.93 2ctn h ALA 8 Ca 0.54 -0.22 0.17 0.00 0.00 0.00 0.00 54.91 55.40 2ctn h ALA 8 Cb 1.39 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 2ctn h ALA 8 CO -0.23 -0.22 0.62 0.28 0.00 0.00 0.00 179.25 179.71 2ctn h VAL 9 N -0.93 0.29 0.00 0.00 2.07 -0.52 0.96 116.25 118.12 2ctn h VAL 9 Ca -0.02 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.44 2ctn h VAL 9 Cb 0.50 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2ctn h VAL 9 CO 0.03 0.00 -0.32 -0.33 0.02 0.00 0.00 177.57 176.97 2ctn h GLU 10 N 0.00 0.00 -0.10 1.57 5.08 -1.11 -2.75 114.58 117.26 2ctn h GLU 10 Ca 0.27 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2ctn h GLU 10 Cb 1.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.77 2ctn h GLU 10 CO -0.00 0.32 0.00 1.04 -1.00 0.00 0.00 179.01 179.37 2ctn n GLN 11 N -3.40 1.63 -1.71 2.33 6.02 0.33 -4.92 117.38 117.66 2ctn n GLN 11 Ca 0.00 -0.94 -0.37 0.00 -0.01 0.00 0.00 57.00 55.69 2ctn n GLN 11 Cb 0.51 -1.42 0.07 0.00 1.02 0.00 0.00 30.24 30.43 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 0.15 5.81 -4.88 1.08 4.77 -1.04 -4.98 117.00 117.90 2ctn n LEU 12 Ca 0.17 0.82 -0.30 0.00 -0.03 0.00 0.00 56.01 56.67 2ctn n LEU 12 Cb 0.31 -1.54 -0.04 0.00 -2.33 0.00 0.00 43.42 39.82 2ctn n LEU 12 CO 0.14 -1.09 0.33 0.42 -1.33 0.00 0.00 177.39 175.86 2ctn s THR 13 N -1.41 4.87 0.52 -5.08 -4.23 -1.26 -4.85 115.64 104.20 2ctn s THR 13 Ca 0.82 0.47 0.39 0.00 -1.18 0.00 0.00 61.69 62.19 2ctn s THR 13 Cb -0.38 -3.70 0.60 0.00 1.34 0.00 0.00 72.50 70.36 2ctn s THR 13 CO 0.41 -0.34 1.68 1.05 -0.54 0.00 0.00 174.62 176.88 2ctn h GLU 14 N 1.73 0.04 0.00 3.99 4.11 -2.00 2.03 114.58 124.49 2ctn h GLU 14 Ca -0.47 -0.00 -0.04 0.00 0.07 0.00 0.00 59.36 58.92 2ctn h GLU 14 Cb 1.18 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2ctn h GLU 14 CO 0.66 0.03 -0.18 1.49 0.07 0.00 0.00 179.01 181.08 2ctn h GLU 15 N 0.05 0.00 0.12 1.06 4.81 -2.00 -2.25 114.58 116.37 2ctn h GLU 15 Ca 0.76 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 59.74 2ctn h GLU 15 Cb 2.84 0.00 0.00 0.00 0.63 0.00 0.00 28.75 32.22 2ctn h GLU 15 CO -0.11 0.18 -1.21 1.96 -0.73 0.00 0.00 179.01 179.10 2ctn h GLN 16 N 0.00 0.25 -0.57 1.92 1.08 0.29 -3.18 115.11 114.90 2ctn h GLN 16 Ca -0.00 -0.42 -0.11 0.00 -1.45 0.00 0.00 58.65 56.67 2ctn h GLN 16 Cb 0.78 0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 28.35 2ctn h GLN 16 CO 0.02 1.20 -0.06 0.87 -0.95 0.00 0.00 178.83 179.92 2ctn h LYS 17 N -0.36 1.04 0.90 1.46 6.56 -1.45 -2.45 116.57 122.27 2ctn h LYS 17 Ca -0.25 -0.36 -0.04 0.00 -1.06 0.00 0.00 60.65 58.93 2ctn h LYS 17 Cb 1.70 -0.08 0.01 0.00 -0.57 0.00 0.00 32.23 33.28 2ctn h LYS 17 CO 0.07 1.05 -0.45 -0.91 -2.06 0.00 0.00 179.45 177.16 2ctn h ASN 18 N 0.93 -1.07 -0.96 0.86 2.35 -1.55 1.94 115.58 118.08 2ctn h ASN 18 Ca 0.15 0.04 0.19 0.00 -0.55 0.00 0.00 56.30 56.13 2ctn h ASN 18 Cb 0.62 0.28 -0.09 0.00 0.05 0.00 0.00 38.32 39.19 2ctn h ASN 18 CO 0.04 -0.75 0.61 -0.08 -1.65 0.00 0.00 177.43 175.60 2ctn h GLU 19 N -1.23 0.60 0.00 0.81 4.22 -1.57 0.34 114.58 117.75 2ctn h GLU 19 Ca -0.12 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.28 2ctn h GLU 19 Cb 0.95 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2ctn h GLU 19 CO 0.19 0.39 -0.07 0.74 -2.18 0.00 0.00 179.01 178.09 2ctn h PHE 20 N 0.61 0.00 -0.45 0.92 0.04 -1.02 -2.62 116.94 114.42 2ctn h PHE 20 Ca 0.52 0.00 0.07 0.00 2.80 0.00 0.00 57.97 61.36 2ctn h PHE 20 Cb 1.00 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.06 2ctn h PHE 20 CO -0.00 0.00 -0.49 -0.22 -0.60 0.00 0.00 178.31 177.00 2ctn h LYS 21 N -0.62 -0.32 -0.12 1.51 3.64 0.32 0.20 116.57 121.18 2ctn h LYS 21 Ca 0.00 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.45 2ctn h LYS 21 Cb 0.07 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 31.91 2ctn h LYS 21 CO 0.00 -0.22 -0.23 0.00 -2.27 0.00 0.00 179.45 176.73 2ctn h ALA 22 N 0.27 -0.22 -0.26 5.00 0.00 -0.43 -2.10 119.26 121.52 2ctn h ALA 22 Ca 0.12 0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.13 2ctn h ALA 22 Cb 0.59 0.45 -0.07 0.00 0.00 0.00 0.00 17.79 18.75 2ctn h ALA 22 CO -0.61 -0.70 -0.28 0.00 0.00 0.00 0.00 179.25 177.66 2ctn h ALA 23 N 0.64 -0.18 -0.90 0.00 0.00 -0.79 0.46 119.26 118.49 2ctn h ALA 23 Ca 0.10 0.07 0.22 0.00 0.00 0.00 0.00 54.91 55.30 2ctn h ALA 23 Cb 0.45 0.58 -0.13 0.00 0.00 0.00 0.00 17.79 18.69 2ctn h ALA 23 CO -0.29 -0.71 0.39 0.35 0.00 0.00 0.00 179.25 179.00 2ctn h PHE 24 N -0.28 0.65 0.00 0.00 3.04 -0.06 1.25 116.94 121.54 2ctn h PHE 24 Ca 0.14 0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.13 2ctn h PHE 24 Cb 0.50 -0.15 -0.00 0.00 2.56 0.00 0.00 35.95 38.86 2ctn h PHE 24 CO -0.44 -0.05 -0.00 0.22 -2.02 0.00 0.00 178.31 176.02 2ctn h ASP 25 N 0.39 0.00 0.72 0.41 1.82 -0.33 0.45 116.42 119.88 2ctn h ASP 25 Ca 0.56 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.20 2ctn h ASP 25 Cb 1.08 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.09 2ctn h ASP 25 CO -0.53 0.00 -1.10 -0.38 -1.61 0.00 0.00 179.24 175.62 2ctn n ILE 26 N -3.09 0.40 0.08 2.25 5.41 0.40 -4.12 119.36 120.69 2ctn n ILE 26 Ca 0.01 -0.44 0.09 0.00 1.00 0.00 0.00 62.75 63.41 2ctn n ILE 26 Cb 0.32 -0.15 -0.14 0.00 -0.71 0.00 0.00 39.64 38.97 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 -2.39 0.00 1.69 1.39 3.72 0.77 -4.22 117.46 118.41 2ctn n PHE 27 Ca 0.00 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2ctn n PHE 27 Cb 0.51 -0.38 0.58 0.00 -0.94 0.00 0.00 39.48 39.25 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 -2.07 0.06 -0.27 -4.37 0.31 0.12 -4.01 118.33 108.10 2ctn n VAL 28 Ca -0.03 -0.14 0.25 0.00 -0.01 0.00 0.00 64.34 64.41 2ctn n VAL 28 Cb 0.47 0.00 0.60 0.00 -0.91 0.00 0.00 33.84 34.00 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 1.06 0.26 -2.55 7.52 -0.00 -1.73 -0.97 115.31 118.89 2ctn h LEU 29 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.88 57.92 2ctn h LEU 29 Cb 0.23 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.89 2ctn h LEU 29 CO 0.00 0.07 -0.01 0.61 -0.00 0.00 0.00 178.44 179.11 2ctn n GLY 30 N -1.59 1.83 3.07 0.83 0.00 -1.26 -5.08 105.19 103.01 2ctn n GLY 30 Ca 0.22 -0.10 -0.37 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.46 -5.32 -0.04 4.61 0.00 -0.37 -4.91 120.51 114.02 2ctn n ALA 31 Ca 0.01 -1.24 -0.12 0.00 0.00 0.00 0.00 53.44 52.09 2ctn n ALA 31 Cb 0.35 -1.03 -0.14 0.00 0.00 0.00 0.00 19.45 18.62 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 1.38 0.67 -2.67 0.00 2.13 -1.26 -4.62 120.64 116.26 2ctn n GLU 32 Ca -0.01 0.21 -0.09 0.00 0.66 0.00 0.00 57.16 57.94 2ctn n GLU 32 Cb 0.69 -1.70 0.05 0.00 0.27 0.00 0.00 31.44 30.75 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2ctn n ASP 33 N -3.07 0.79 -3.00 4.31 2.03 -1.26 -4.94 116.55 111.40 2ctn n ASP 33 Ca -0.25 -2.65 -0.22 0.00 0.52 0.00 0.00 54.79 52.18 2ctn n ASP 33 Cb 1.07 -0.23 0.04 0.00 -0.72 0.00 0.00 41.12 41.28 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2ctn n GLY 34 N -0.17 -0.50 2.13 0.27 0.00 -1.26 -4.96 105.19 100.70 2ctn n GLY 34 Ca 0.07 0.12 -0.10 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.47 -0.84 -3.84 1.61 7.64 -1.26 -4.87 113.62 109.59 2ctn n SER 35 Ca -0.10 -2.22 -0.30 0.00 1.01 0.00 0.00 58.87 57.26 2ctn n SER 35 Cb 0.61 1.58 -0.15 0.00 -1.01 0.00 0.00 64.21 65.24 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 -2.69 1.35 0.70 0.44 1.01 -0.17 -4.37 121.20 117.47 2ctn s ILE 36 Ca 0.19 -1.62 -0.07 0.00 0.00 0.00 0.00 60.65 59.15 2ctn s ILE 36 Cb -0.00 -1.96 0.06 0.00 0.01 0.00 0.00 42.46 40.56 2ctn s ILE 36 CO 0.14 -0.57 1.01 -0.55 0.00 0.00 0.00 174.94 174.97 2ctn s SER 37 N 1.39 4.89 0.59 3.58 0.15 -1.26 -2.24 113.70 120.80 2ctn s SER 37 Ca 0.08 0.51 0.36 0.00 0.70 0.00 0.00 55.95 57.59 2ctn s SER 37 Cb -0.18 -1.19 1.25 0.00 -1.71 0.00 0.00 66.02 64.20 2ctn s SER 37 CO -0.17 -1.55 1.44 0.00 1.20 0.00 0.00 173.24 174.15 2ctn h THR 38 N -0.58 0.03 0.04 6.45 1.03 -1.76 2.20 112.91 120.33 2ctn h THR 38 Ca -0.45 0.00 -0.23 0.00 -0.01 0.00 0.00 66.41 65.72 2ctn h THR 38 Cb 1.31 0.04 -0.02 0.00 -1.07 0.00 0.00 68.15 68.41 2ctn h THR 38 CO 0.61 0.00 -1.09 0.50 -0.01 0.00 0.00 175.52 175.53 2ctn h LYS 39 N 0.00 0.09 0.01 0.00 1.63 -1.90 -3.07 116.57 113.33 2ctn h LYS 39 Ca 0.64 -0.15 -0.34 0.00 -0.85 0.00 0.00 60.65 59.96 2ctn h LYS 39 Cb 3.14 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 34.77 2ctn h LYS 39 CO -0.01 1.06 -2.08 0.39 -3.45 0.00 0.00 179.45 175.36 2ctn n GLU 40 N -3.40 0.67 0.20 1.90 -0.58 0.68 -4.15 120.64 115.95 2ctn n GLU 40 Ca -0.03 0.15 0.05 0.00 -0.42 0.00 0.00 57.16 56.91 2ctn n GLU 40 Cb 0.97 -1.65 0.42 0.00 -0.57 0.00 0.00 31.44 30.61 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 0.01 0.00 -0.82 -4.62 5.85 0.36 -3.04 115.31 113.05 2ctn h LEU 41 Ca -0.43 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.49 2ctn h LEU 41 Cb 2.11 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 43.01 2ctn h LEU 41 CO 0.05 0.33 0.16 1.23 -0.34 0.00 0.00 178.44 179.87 2ctn h GLY 42 N 1.27 1.15 2.00 3.75 0.00 -1.69 0.93 103.07 110.48 2ctn h GLY 42 Ca -0.00 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.32 2ctn h GLY 42 CO 0.04 -0.31 -0.07 1.70 0.00 0.00 0.00 176.54 177.90 2ctn h LYS 43 N 0.20 0.00 0.00 4.80 1.63 -1.78 -3.00 116.57 118.41 2ctn h LYS 43 Ca 0.49 0.00 -0.06 0.00 -0.85 0.00 0.00 60.65 60.23 2ctn h LYS 43 Cb 0.92 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.54 2ctn h LYS 43 CO -0.63 0.07 -0.37 0.28 -3.45 0.00 0.00 179.45 175.35 2ctn h VAL 44 N 0.00 0.45 0.00 2.00 2.07 0.71 -3.15 116.25 118.32 2ctn h VAL 44 Ca -0.00 -1.65 -0.01 0.00 0.82 0.00 0.00 66.70 65.86 2ctn h VAL 44 Cb 0.82 2.18 -0.00 0.00 -1.52 0.00 0.00 31.29 32.77 2ctn h VAL 44 CO 0.01 0.25 -0.06 0.24 0.02 0.00 0.00 177.57 178.03 2ctn h MET 45 N 0.00 0.00 -0.58 1.57 2.86 -0.75 -2.46 114.93 115.57 2ctn h MET 45 Ca -0.01 0.00 0.11 0.00 -2.06 0.00 0.00 59.70 57.74 2ctn h MET 45 Cb 1.22 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.84 2ctn h MET 45 CO 0.03 0.52 0.39 -0.09 1.06 0.00 0.00 176.91 178.83 2ctn h ARG 46 N -1.00 0.31 0.00 1.72 2.43 -1.34 0.38 114.38 116.88 2ctn h ARG 46 Ca -0.01 -0.02 -0.15 0.00 -0.81 0.00 0.00 59.98 58.99 2ctn h ARG 46 Cb 0.55 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.01 2ctn h ARG 46 CO -0.01 0.21 -0.74 0.00 -1.51 0.00 0.00 179.97 177.92 2ctn h MET 47 N 0.32 0.00 0.17 0.20 -0.00 -1.65 -3.33 114.93 110.64 2ctn h MET 47 Ca 0.27 0.00 -0.32 0.00 -0.00 0.00 0.00 59.70 59.65 2ctn h MET 47 Cb 0.64 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 32.25 2ctn h MET 47 CO -0.07 0.72 -1.58 -0.07 -0.00 0.00 0.00 176.91 175.91 2ctn h LEU 48 N 0.00 0.57 0.00 -0.10 3.38 -0.54 -3.48 115.31 115.14 2ctn h LEU 48 Ca -0.01 -0.92 0.00 0.00 0.09 0.00 0.00 57.88 57.04 2ctn h LEU 48 Cb 1.56 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.12 2ctn h LEU 48 CO 0.09 1.71 0.00 0.61 0.09 0.00 0.00 178.44 180.95 2ctn n GLY 49 N 1.81 0.00 2.81 0.83 0.00 0.10 -5.08 105.19 105.65 2ctn n GLY 49 Ca -0.23 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.61 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 0.00 0.32 -0.36 1.61 -1.52 0.50 -4.97 119.66 115.23 2ctn s GLN 50 Ca 0.00 0.09 0.13 0.00 -1.95 0.00 0.00 55.36 53.64 2ctn s GLN 50 Cb 0.00 -0.54 0.44 0.00 -0.22 0.00 0.00 33.01 32.69 2ctn s GLN 50 CO 0.00 -0.16 0.99 -1.71 -0.25 0.00 0.00 175.29 174.16 2ctn n ASN 51 N 4.30 2.52 -2.71 5.90 5.15 -1.26 -2.10 115.26 127.06 2ctn n ASN 51 Ca -0.23 -3.06 -0.07 0.00 -0.60 0.00 0.00 54.58 50.61 2ctn n ASN 51 Cb 0.50 -0.51 0.06 0.00 -0.53 0.00 0.00 39.78 39.30 2ctn n ASN 51 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2ctn n PRO 52 N -0.19 -1.30 -2.45 1.20 -0.04 -1.26 -5.04 135.00 125.92 2ctn n PRO 52 Ca 0.20 -0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 62.94 2ctn n PRO 52 Cb 0.76 -0.40 0.03 0.00 -0.04 0.00 0.00 33.50 33.85 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 -1.54 3.67 0.18 0.52 -4.23 -1.26 -4.98 115.64 108.00 2ctn s THR 53 Ca 0.18 -0.05 0.15 0.00 -1.18 0.00 0.00 61.69 60.79 2ctn s THR 53 Cb -0.01 -3.45 0.05 0.00 1.34 0.00 0.00 72.50 70.43 2ctn s THR 53 CO 0.14 -0.45 1.64 1.55 -0.54 0.00 0.00 174.62 176.96 2ctn h PRO 54 N -0.12 0.00 0.00 3.99 0.13 -2.02 -2.96 132.00 131.02 2ctn h PRO 54 Ca -0.45 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.55 2ctn h PRO 54 Cb 1.26 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 2ctn h PRO 54 CO 0.60 0.51 -0.65 1.49 -0.23 0.00 0.00 178.00 179.73 2ctn h GLU 55 N 0.00 0.00 -0.02 0.86 4.81 -2.03 -3.31 114.58 114.89 2ctn h GLU 55 Ca -0.01 0.00 -0.26 0.00 -0.13 0.00 0.00 59.36 58.97 2ctn h GLU 55 Cb 1.06 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.46 2ctn h GLU 55 CO 0.07 0.57 -0.99 1.49 -0.73 0.00 0.00 179.01 179.42 2ctn h GLU 56 N 0.00 0.70 -0.76 1.92 4.81 -1.93 -3.30 114.58 116.02 2ctn h GLU 56 Ca -0.02 -0.73 0.11 0.00 -0.13 0.00 0.00 59.36 58.59 2ctn h GLU 56 Cb 1.46 0.20 -0.12 0.00 0.63 0.00 0.00 28.75 30.92 2ctn h GLU 56 CO 0.07 1.31 -0.45 -0.07 -0.73 0.00 0.00 179.01 179.14 2ctn h LEU 57 N 0.39 -1.60 -0.72 1.64 3.38 -1.60 0.37 115.31 117.17 2ctn h LEU 57 Ca -0.12 0.28 0.11 0.00 0.09 0.00 0.00 57.88 58.24 2ctn h LEU 57 Cb 1.64 0.75 -0.08 0.00 0.09 0.00 0.00 40.66 43.06 2ctn h LEU 57 CO 0.20 -0.30 0.32 -0.61 0.09 0.00 0.00 178.44 178.13 2ctn h GLN 58 N -0.13 0.50 -0.61 1.13 5.75 -1.73 -0.30 115.11 119.72 2ctn h GLN 58 Ca 0.22 -0.03 -0.04 0.00 -0.15 0.00 0.00 58.65 58.64 2ctn h GLN 58 Cb 0.54 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.95 2ctn h GLN 58 CO -0.81 0.33 0.20 1.49 -2.65 0.00 0.00 178.83 177.39 2ctn h GLU 59 N 0.52 0.92 -0.05 1.69 4.57 -0.49 -1.83 114.58 119.91 2ctn h GLU 59 Ca 0.37 -0.17 -0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2ctn h GLU 59 Cb 0.48 -0.15 -0.00 0.00 -0.16 0.00 0.00 28.75 28.92 2ctn h GLU 59 CO -0.33 0.79 0.02 1.98 -1.18 0.00 0.00 179.01 180.29 2ctn h MET 60 N 0.90 0.08 0.79 1.92 4.05 0.98 -2.82 114.93 120.82 2ctn h MET 60 Ca 0.20 -0.01 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2ctn h MET 60 Cb 0.24 -0.01 0.01 0.00 -0.80 0.00 0.00 31.60 31.04 2ctn h MET 60 CO -0.01 0.22 -0.38 0.82 0.23 0.00 0.00 176.91 177.80 2ctn h ILE 61 N -0.08 0.15 -0.66 1.77 2.04 -1.17 -1.42 117.51 118.14 2ctn h ILE 61 Ca 0.02 -0.13 0.19 0.00 1.00 0.00 0.00 64.86 65.94 2ctn h ILE 61 Cb 0.18 0.17 -0.03 0.00 -0.74 0.00 0.00 36.82 36.40 2ctn h ILE 61 CO -0.00 0.01 0.92 -0.78 0.00 0.00 0.00 178.15 178.30 2ctn h ASP 62 N -1.16 0.00 0.00 1.72 3.58 -1.37 1.69 116.42 120.88 2ctn h ASP 62 Ca -0.11 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.17 2ctn h ASP 62 Cb 0.82 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.85 2ctn h ASP 62 CO 0.18 0.00 -0.96 -0.08 -2.88 0.00 0.00 179.24 175.50 2ctn h GLU 63 N 0.00 0.00 0.00 0.28 4.57 -1.14 -3.37 114.58 114.91 2ctn h GLU 63 Ca 0.31 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.49 2ctn h GLU 63 Cb 2.16 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 30.75 2ctn h GLU 63 CO -0.00 0.90 0.00 -0.39 -1.18 0.00 0.00 179.01 178.34 2ctn h VAL 64 N -1.00 0.00 -4.05 0.32 -1.51 0.10 -3.45 116.25 106.66 2ctn h VAL 64 Ca -0.25 -0.83 -0.53 0.00 -1.23 0.00 0.00 66.70 63.86 2ctn h VAL 64 Cb 1.16 1.83 0.10 0.00 -2.13 0.00 0.00 31.29 32.25 2ctn h VAL 64 CO -0.15 0.00 0.52 -0.62 -1.23 0.00 0.00 177.57 176.09 2ctn s ASP 65 N -5.71 5.55 0.00 4.19 -1.08 0.56 -4.92 116.67 115.25 2ctn s ASP 65 Ca 0.08 2.49 0.24 0.00 -0.52 0.00 0.00 52.55 54.84 2ctn s ASP 65 Cb 0.07 -2.61 0.40 0.00 -1.46 0.00 0.00 42.92 39.32 2ctn s ASP 65 CO 0.64 -1.36 1.38 -0.62 0.52 0.00 0.00 175.17 175.74 2ctn n GLU 66 N -1.02 2.25 -0.13 4.34 1.02 -1.26 -4.32 120.64 121.52 2ctn n GLU 66 Ca 0.10 -1.84 0.00 0.00 -0.02 0.00 0.00 57.16 55.41 2ctn n GLU 66 Cb 0.47 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.42 2ctn n GLU 66 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctn n ASP 67 N 1.16 0.00 -3.47 1.62 5.75 -1.26 -5.06 116.55 115.29 2ctn n ASP 67 Ca 0.16 -1.17 -0.29 0.00 -0.01 0.00 0.00 54.79 53.48 2ctn n ASP 67 Cb 0.55 -0.03 0.02 0.00 -1.03 0.00 0.00 41.12 40.63 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 0.00 -0.49 0.00 6.12 0.00 -1.26 -4.91 105.19 104.64 2ctn n GLY 68 Ca 0.00 1.00 0.00 0.00 0.00 0.00 0.00 46.02 47.02 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 -0.93 3.36 0.00 1.61 3.41 -1.26 -5.02 113.62 114.78 2ctn n SER 69 Ca -0.12 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.49 2ctn n SER 69 Cb 0.65 0.36 0.00 0.00 -0.26 0.00 0.00 64.21 64.96 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 2.13 0.98 3.52 5.00 0.00 -1.26 -5.07 105.19 110.49 2ctn n GLY 70 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 2.71 -0.12 2.61 -4.23 -1.26 -1.99 115.64 111.36 2ctn s THR 71 Ca 0.00 -2.27 -0.05 0.00 -1.18 0.00 0.00 61.69 58.19 2ctn s THR 71 Cb 0.00 -2.45 0.06 0.00 1.34 0.00 0.00 72.50 71.45 2ctn s THR 71 CO 0.00 -0.38 0.24 -0.69 -0.54 0.00 0.00 174.62 173.25 2ctn s VAL 72 N -2.47 -0.34 0.52 2.29 1.01 -0.95 -4.88 120.40 115.58 2ctn s VAL 72 Ca 0.31 0.28 0.07 0.00 0.00 0.00 0.00 61.98 62.63 2ctn s VAL 72 Cb -0.05 -0.41 0.09 0.00 0.00 0.00 0.00 36.38 36.02 2ctn s VAL 72 CO 0.16 0.12 0.72 -0.90 0.00 0.00 0.00 175.10 175.20 2ctn n ASP 73 N 5.20 1.70 -0.47 3.32 5.68 -1.26 -1.00 116.55 129.72 2ctn n ASP 73 Ca -0.08 -2.26 0.42 0.00 -0.50 0.00 0.00 54.79 52.37 2ctn n ASP 73 Cb 0.50 -0.40 0.77 0.00 -1.14 0.00 0.00 41.12 40.85 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 -0.04 0.00 0.00 2.11 3.57 -1.99 0.24 116.94 120.83 2ctn h PHE 74 Ca -0.24 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.26 2ctn h PHE 74 Cb 1.07 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.81 2ctn h PHE 74 CO 0.00 0.00 0.00 -0.25 -2.23 0.00 0.00 178.31 175.83 2ctn n ASP 75 N -4.04 0.00 0.20 0.41 8.00 -1.26 -2.76 116.55 117.09 2ctn n ASP 75 Ca 0.33 0.61 0.18 0.00 0.71 0.00 0.00 54.79 56.62 2ctn n ASP 75 Cb 1.56 -0.44 0.76 0.00 -0.02 0.00 0.00 41.12 42.98 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 0.00 0.00 0.59 -1.24 5.08 -1.76 -1.72 114.58 115.53 2ctn h GLU 76 Ca 0.00 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 2ctn h GLU 76 Cb 0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2ctn h GLU 76 CO 0.00 0.00 -0.29 0.35 -1.00 0.00 0.00 179.01 178.07 2ctn h PHE 77 N 0.00 -0.74 0.00 4.33 3.57 -0.58 -1.97 116.94 121.55 2ctn h PHE 77 Ca 0.11 -0.02 -0.03 0.00 3.53 0.00 0.00 57.97 61.57 2ctn h PHE 77 Cb 0.93 0.24 -0.00 0.00 2.79 0.00 0.00 35.95 39.91 2ctn h PHE 77 CO 0.00 -0.46 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.43 2ctn h LEU 78 N -0.98 0.00 -1.73 0.59 3.38 -1.22 -0.65 115.31 114.70 2ctn h LEU 78 Ca -0.08 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 2ctn h LEU 78 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2ctn h LEU 78 CO 0.13 0.12 -0.01 0.58 0.09 0.00 0.00 178.44 179.35 2ctn h VAL 79 N 0.00 0.04 0.17 1.22 2.07 -1.24 -3.11 116.25 115.40 2ctn h VAL 79 Ca -0.00 -0.45 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 2ctn h VAL 79 Cb 0.23 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2ctn h VAL 79 CO 0.02 0.01 -0.08 -0.03 0.02 0.00 0.00 177.57 177.50 2ctn h MET 80 N 0.00 -0.22 -0.88 1.57 -1.53 -0.31 -3.15 114.93 110.41 2ctn h MET 80 Ca -0.00 0.02 0.24 0.00 -3.44 0.00 0.00 59.70 56.51 2ctn h MET 80 Cb 0.43 0.05 -0.14 0.00 -0.55 0.00 0.00 31.60 31.38 2ctn h MET 80 CO 0.00 -0.15 0.21 0.00 0.14 0.00 0.00 176.91 177.11 2ctn h MET 81 N -0.47 0.18 -0.11 0.39 3.00 -1.61 -1.25 114.93 115.05 2ctn h MET 81 Ca -0.02 -0.01 0.02 0.00 0.00 0.00 0.00 59.70 59.68 2ctn h MET 81 Cb 0.18 -0.04 -0.03 0.00 0.00 0.00 0.00 31.60 31.71 2ctn h MET 81 CO 0.04 0.12 -0.20 0.28 0.00 0.00 0.00 176.91 177.14 2ctn h VAL 82 N 0.18 0.00 -0.87 -0.10 2.07 -1.61 2.16 116.25 118.09 2ctn h VAL 82 Ca 0.55 0.00 0.23 0.00 0.82 0.00 0.00 66.70 68.30 2ctn h VAL 82 Cb 1.11 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 30.84 2ctn h VAL 82 CO -0.68 0.00 0.60 0.03 0.02 0.00 0.00 177.57 177.55 2ctn h ARG 83 N -0.17 0.13 -0.93 1.57 3.08 -1.22 0.29 114.38 117.14 2ctn h ARG 83 Ca 0.02 -0.01 -0.60 0.00 0.07 0.00 0.00 59.98 59.46 2ctn h ARG 83 Cb 0.23 -0.03 -0.38 0.00 0.08 0.00 0.00 29.97 29.87 2ctn h ARG 83 CO -0.20 0.09 -0.24 0.45 -1.07 0.00 0.00 179.97 179.00 2ctn n SER 84 N -4.36 5.84 0.01 7.04 2.88 0.11 -4.61 113.62 120.53 2ctn n SER 84 Ca 0.18 -3.76 -0.02 0.00 -1.33 0.00 0.00 58.87 53.93 2ctn n SER 84 Cb 0.84 -0.57 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 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 -0.75 0.08 0.00 -1.46 2.81 0.69 -4.54 117.12 113.96 2ctn n MET 85 Ca 0.50 0.03 0.12 0.00 -1.81 0.00 0.00 57.70 56.55 2ctn n MET 85 Cb 0.83 -0.64 0.70 0.00 -0.71 0.00 0.00 33.22 33.39 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 -3.49 0.61 -2.09 0.03 2.85 -1.25 -3.30 118.16 111.53 2ctn n LYS 86 Ca -0.04 0.02 -0.39 0.00 -1.05 0.00 0.00 58.31 56.85 2ctn n LYS 86 Cb 0.24 -1.50 -0.00 0.00 -0.65 0.00 0.00 35.03 33.12 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 -1.12 7.72 -4.02 -5.58 8.00 -1.26 -4.75 116.55 115.54 2ctn n ASP 87 Ca 0.16 -3.30 -0.27 0.00 0.71 0.00 0.00 54.79 52.09 2ctn n ASP 87 Cb 0.13 -1.29 -0.03 0.00 -0.02 0.00 0.00 41.12 39.91 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2ctn n ASP 88 N 1.13 -0.43 0.00 -2.24 -0.08 -1.26 -5.05 116.55 108.62 2ctn n ASP 88 Ca 0.57 -1.04 0.00 0.00 -1.51 0.00 0.00 54.79 52.82 2ctn n ASP 88 Cb 0.28 -2.87 0.00 0.00 2.34 0.00 0.00 41.12 40.87 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12