#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 1.89 0.00 0.00 -0.08 -1.26 -5.10 116.55 112.01 2ctn n ASP 3 Ca 0.00 -0.56 0.00 0.00 -1.51 0.00 0.00 54.79 52.72 2ctn n ASP 3 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 0.12 0.00 0.00 177.20 176.94 2ctn n ILE 4 N 0.00 0.00 -0.05 5.18 -0.00 -1.26 -4.79 119.36 118.43 2ctn n ILE 4 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 62.75 62.64 2ctn n ILE 4 Cb 0.00 -0.89 -0.15 0.00 -0.00 0.00 0.00 39.64 38.60 2ctn n ILE 4 CO 0.00 0.00 0.00 -1.22 -0.00 0.00 0.00 176.55 175.33 2ctn n TYR 5 N -2.62 0.62 -0.30 1.39 4.01 -1.26 -4.22 117.16 114.77 2ctn n TYR 5 Ca 0.00 0.20 0.08 0.00 -0.16 0.00 0.00 57.90 58.02 2ctn n TYR 5 Cb 0.40 -1.11 0.24 0.00 -0.31 0.00 0.00 39.34 38.56 2ctn n TYR 5 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 2ctn h LYS 6 N 0.01 0.60 -0.55 -0.72 3.11 -1.94 0.32 116.57 117.40 2ctn h LYS 6 Ca -0.41 -0.04 0.12 0.00 -2.81 0.00 0.00 60.65 57.51 2ctn h LYS 6 Cb 2.09 -0.14 -0.03 0.00 -1.00 0.00 0.00 32.23 33.15 2ctn h LYS 6 CO 0.05 0.40 0.38 0.00 -2.81 0.00 0.00 179.45 177.46 2ctn h ALA 7 N 1.58 2.23 0.01 5.00 0.00 -1.87 0.41 119.26 126.62 2ctn h ALA 7 Ca 0.48 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.32 2ctn h ALA 7 Cb 0.71 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.49 2ctn h ALA 7 CO -0.38 -0.37 -0.25 0.00 0.00 0.00 0.00 179.25 178.25 2ctn h ALA 8 N 1.73 0.02 -0.86 0.00 0.00 -0.60 -3.29 119.26 116.26 2ctn h ALA 8 Ca 0.26 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.68 2ctn h ALA 8 Cb 0.74 0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 2ctn h ALA 8 CO -0.05 0.08 0.52 0.28 0.00 0.00 0.00 179.25 180.08 2ctn h VAL 9 N -0.56 1.24 0.00 0.00 2.07 -0.72 -0.60 116.25 117.68 2ctn h VAL 9 Ca -0.03 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 66.97 2ctn h VAL 9 Cb 1.03 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.83 2ctn h VAL 9 CO 0.05 0.25 0.21 -0.33 0.02 0.00 0.00 177.57 177.76 2ctn h GLU 10 N 1.18 0.00 0.00 1.57 5.08 -1.01 0.33 114.58 121.74 2ctn h GLU 10 Ca 0.31 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.67 2ctn h GLU 10 Cb -0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.20 2ctn h GLU 10 CO -0.06 0.00 -1.33 1.04 -1.00 0.00 0.00 179.01 177.67 2ctn n GLN 11 N -2.62 0.55 -1.11 2.33 6.02 -0.24 -4.96 117.38 117.35 2ctn n GLN 11 Ca -0.02 -0.01 -0.37 0.00 -0.01 0.00 0.00 57.00 56.60 2ctn n GLN 11 Cb 0.25 -1.68 0.04 0.00 1.02 0.00 0.00 30.24 29.88 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 -2.39 -3.32 -4.81 1.08 4.77 0.12 -4.89 117.00 107.57 2ctn n LEU 12 Ca -0.01 0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 56.06 2ctn n LEU 12 Cb 0.53 -0.93 -0.06 0.00 -2.33 0.00 0.00 43.42 40.64 2ctn n LEU 12 CO 0.42 -4.82 0.67 0.42 -1.33 0.00 0.00 177.39 172.75 2ctn s THR 13 N -2.02 4.16 0.65 -5.08 -4.23 -1.26 -4.88 115.64 102.99 2ctn s THR 13 Ca 0.52 1.41 0.25 0.00 -1.18 0.00 0.00 61.69 62.69 2ctn s THR 13 Cb -0.31 -3.60 0.26 0.00 1.34 0.00 0.00 72.50 70.18 2ctn s THR 13 CO 0.71 -0.23 1.74 -0.08 -0.54 0.00 0.00 174.62 176.22 2ctn h GLU 14 N 1.98 0.00 0.03 3.99 4.81 -1.99 0.21 114.58 123.62 2ctn h GLU 14 Ca -0.49 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 58.47 2ctn h GLU 14 Cb 1.19 0.00 0.02 0.00 0.63 0.00 0.00 28.75 30.60 2ctn h GLU 14 CO 0.61 0.00 -1.10 1.49 -0.73 0.00 0.00 179.01 179.28 2ctn h GLU 15 N 0.00 0.69 -0.21 1.92 4.81 -2.00 -2.79 114.58 117.00 2ctn h GLU 15 Ca 0.04 -0.78 -0.07 0.00 -0.13 0.00 0.00 59.36 58.42 2ctn h GLU 15 Cb 1.02 0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 2ctn h GLU 15 CO -0.00 1.34 -0.18 1.96 -0.73 0.00 0.00 179.01 181.40 2ctn h GLN 16 N 0.37 0.37 0.00 1.92 1.08 -0.93 -2.34 115.11 115.58 2ctn h GLN 16 Ca -0.15 -0.11 -0.09 0.00 -1.45 0.00 0.00 58.65 56.85 2ctn h GLN 16 Cb 1.76 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 29.14 2ctn h GLN 16 CO 0.21 0.54 -0.44 0.87 -0.95 0.00 0.00 178.83 179.06 2ctn h LYS 17 N 0.34 0.00 0.01 1.46 1.57 -1.54 -2.25 116.57 116.16 2ctn h LYS 17 Ca 0.06 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.62 2ctn h LYS 17 Cb 0.52 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2ctn h LYS 17 CO 0.03 0.44 -0.93 -0.91 -0.57 0.00 0.00 179.45 177.52 2ctn h ASN 18 N 0.00 0.43 0.49 0.86 2.35 -1.15 -1.21 115.58 117.36 2ctn h ASN 18 Ca -0.00 -0.35 -0.30 0.00 -0.55 0.00 0.00 56.30 55.10 2ctn h ASN 18 Cb 1.15 -0.13 0.02 0.00 0.05 0.00 0.00 38.32 39.40 2ctn h ASN 18 CO 0.06 1.16 -1.32 -0.08 -1.65 0.00 0.00 177.43 175.60 2ctn h GLU 19 N 0.18 0.38 0.10 0.81 4.22 -1.43 -2.99 114.58 115.86 2ctn h GLU 19 Ca -0.07 -0.63 -0.00 0.00 0.08 0.00 0.00 59.36 58.74 2ctn h GLU 19 Cb 1.57 0.23 0.00 0.00 0.50 0.00 0.00 28.75 31.05 2ctn h GLU 19 CO 0.15 1.30 -0.05 0.74 -2.18 0.00 0.00 179.01 178.97 2ctn h PHE 20 N 0.11 -0.13 -0.58 0.92 0.04 -1.47 -2.73 116.94 113.10 2ctn h PHE 20 Ca -0.18 -0.00 0.11 0.00 2.80 0.00 0.00 57.97 60.71 2ctn h PHE 20 Cb 2.03 0.04 -0.11 0.00 2.20 0.00 0.00 35.95 40.11 2ctn h PHE 20 CO 0.09 -0.08 -0.22 -0.22 -0.60 0.00 0.00 178.31 177.28 2ctn h LYS 21 N -0.85 -0.07 0.14 1.51 3.64 -1.40 -0.63 116.57 118.90 2ctn h LYS 21 Ca -0.01 0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.39 2ctn h LYS 21 Cb 0.10 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.90 2ctn h LYS 21 CO 0.02 -0.05 -0.29 0.00 -2.27 0.00 0.00 179.45 176.87 2ctn h ALA 22 N 1.37 -0.50 -0.20 5.00 0.00 -1.66 -2.09 119.26 121.18 2ctn h ALA 22 Ca 0.27 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.18 2ctn h ALA 22 Cb 0.49 0.47 -0.07 0.00 0.00 0.00 0.00 17.79 18.67 2ctn h ALA 22 CO -0.63 -0.83 -0.35 0.00 0.00 0.00 0.00 179.25 177.43 2ctn h ALA 23 N 0.17 -0.40 -0.88 0.00 0.00 -0.93 0.34 119.26 117.57 2ctn h ALA 23 Ca 0.03 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.19 2ctn h ALA 23 Cb 0.54 0.69 -0.13 0.00 0.00 0.00 0.00 17.79 18.89 2ctn h ALA 23 CO -0.16 -0.82 0.34 0.35 0.00 0.00 0.00 179.25 178.96 2ctn h PHE 24 N -0.39 0.56 -0.10 0.00 3.04 -0.85 0.45 116.94 119.65 2ctn h PHE 24 Ca 0.11 0.04 -0.12 0.00 3.98 0.00 0.00 57.97 61.98 2ctn h PHE 24 Cb 0.57 -0.11 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2ctn h PHE 24 CO -0.47 -0.09 -0.47 0.22 -2.02 0.00 0.00 178.31 175.49 2ctn h ASP 25 N 0.34 0.26 1.62 0.41 3.58 -0.38 0.89 116.42 123.15 2ctn h ASP 25 Ca 0.55 -0.12 -0.04 0.00 0.42 0.00 0.00 57.03 57.84 2ctn h ASP 25 Cb 1.05 -0.07 -0.01 0.00 1.72 0.00 0.00 39.33 42.02 2ctn h ASP 25 CO -0.55 0.70 -0.18 0.40 -2.88 0.00 0.00 179.24 176.72 2ctn h ILE 26 N 0.20 0.33 0.01 2.25 2.04 0.17 -3.21 117.51 119.30 2ctn h ILE 26 Ca 0.01 -1.35 -0.34 0.00 1.00 0.00 0.00 64.86 64.19 2ctn h ILE 26 Cb 0.91 2.06 -0.06 0.00 -0.74 0.00 0.00 36.82 38.99 2ctn h ILE 26 CO 0.07 0.18 -2.06 0.49 0.00 0.00 0.00 178.15 176.83 2ctn n PHE 27 N -3.17 0.53 0.40 1.37 3.72 0.64 -4.02 117.46 116.93 2ctn n PHE 27 Ca 0.03 0.18 0.12 0.00 -0.05 0.00 0.00 57.45 57.73 2ctn n PHE 27 Cb 0.56 -1.10 0.49 0.00 -0.94 0.00 0.00 39.48 38.49 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 -2.96 0.82 -0.19 -4.37 0.31 0.28 -2.86 118.33 109.37 2ctn n VAL 28 Ca -0.26 0.22 0.29 0.00 -0.01 0.00 0.00 64.34 64.58 2ctn n VAL 28 Cb 1.09 -1.15 0.73 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 -0.56 7.52 3.38 -1.69 0.32 115.31 124.28 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2ctn h LEU 29 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2ctn h LEU 29 CO 0.00 0.00 -0.32 0.61 0.09 0.00 0.00 178.44 178.82 2ctn n GLY 30 N -1.71 -0.10 1.80 0.83 0.00 -1.14 -5.01 105.19 99.86 2ctn n GLY 30 Ca 0.19 -0.33 -0.10 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 -0.52 -1.77 -0.00 4.61 0.00 0.11 -4.95 120.51 117.99 2ctn n ALA 31 Ca 0.04 -0.52 0.00 0.00 0.00 0.00 0.00 53.44 52.97 2ctn n ALA 31 Cb 0.23 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.63 2ctn n ALA 31 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2ctn n GLU 32 N -1.59 5.84 -1.24 0.00 0.28 -1.26 -4.77 120.64 117.89 2ctn n GLU 32 Ca 0.05 -0.06 -0.04 0.00 -0.16 0.00 0.00 57.16 56.95 2ctn n GLU 32 Cb 0.20 -0.54 -0.04 0.00 1.43 0.00 0.00 31.44 32.50 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2ctn n ASP 33 N -0.85 -0.43 -2.42 -1.84 2.03 -1.26 -4.98 116.55 106.80 2ctn n ASP 33 Ca 0.00 -2.01 -0.14 0.00 0.52 0.00 0.00 54.79 53.16 2ctn n ASP 33 Cb 0.00 0.14 0.05 0.00 -0.72 0.00 0.00 41.12 40.59 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 0.06 0.02 3.47 0.27 0.00 -1.26 -5.02 105.19 102.74 2ctn n GLY 34 Ca -0.18 -0.11 -0.10 0.00 0.00 0.00 0.00 46.02 45.64 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 -3.33 -0.04 -0.32 1.61 0.01 -1.26 -4.76 113.70 105.60 2ctn s SER 35 Ca 0.28 -0.93 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 2ctn s SER 35 Cb -0.13 0.52 0.11 0.00 0.21 0.00 0.00 66.02 66.74 2ctn s SER 35 CO 0.45 -1.04 0.13 0.27 0.41 0.00 0.00 173.24 173.47 2ctn s ILE 36 N -4.01 0.43 0.97 1.44 -4.36 -0.14 -4.55 121.20 110.97 2ctn s ILE 36 Ca 0.22 -1.25 -0.16 0.00 -0.26 0.00 0.00 60.65 59.20 2ctn s ILE 36 Cb 0.01 -1.33 0.20 0.00 1.25 0.00 0.00 42.46 42.59 2ctn s ILE 36 CO 0.06 -0.75 1.30 -0.44 0.24 0.00 0.00 174.94 175.35 2ctn s SER 37 N 1.67 3.05 0.60 4.36 0.01 -1.26 -2.63 113.70 119.49 2ctn s SER 37 Ca 0.11 0.32 0.30 0.00 1.31 0.00 0.00 55.95 57.99 2ctn s SER 37 Cb -0.18 -0.40 1.11 0.00 0.21 0.00 0.00 66.02 66.76 2ctn s SER 37 CO -0.25 -2.78 1.42 0.00 0.41 0.00 0.00 173.24 172.04 2ctn h THR 38 N -1.67 0.05 0.01 1.44 1.03 -1.18 1.56 112.91 114.14 2ctn h THR 38 Ca -0.45 0.00 -0.21 0.00 -0.01 0.00 0.00 66.41 65.74 2ctn h THR 38 Cb 1.24 0.09 -0.01 0.00 -1.07 0.00 0.00 68.15 68.41 2ctn h THR 38 CO 0.39 0.00 -0.92 0.50 -0.01 0.00 0.00 175.52 175.48 2ctn h LYS 39 N 0.00 0.28 0.02 0.00 3.11 -1.88 -3.05 116.57 115.05 2ctn h LYS 39 Ca 0.52 -0.31 -0.40 0.00 -2.81 0.00 0.00 60.65 57.65 2ctn h LYS 39 Cb 2.82 0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 34.08 2ctn h LYS 39 CO -0.01 1.03 -2.33 0.39 -2.81 0.00 0.00 179.45 175.72 2ctn n GLU 40 N -3.68 0.64 0.23 1.90 -0.58 0.49 -4.21 120.64 115.44 2ctn n GLU 40 Ca -0.05 0.23 0.16 0.00 -0.42 0.00 0.00 57.16 57.08 2ctn n GLU 40 Cb 0.83 -1.56 0.83 0.00 -0.57 0.00 0.00 31.44 30.98 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 -0.35 0.00 0.49 -4.62 7.12 -0.37 -3.04 115.31 114.55 2ctn h LEU 41 Ca -0.57 0.00 -0.02 0.00 0.13 0.00 0.00 57.88 57.41 2ctn h LEU 41 Cb 1.80 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.93 2ctn h LEU 41 CO -0.17 0.00 -0.28 1.23 -0.13 0.00 0.00 178.44 179.09 2ctn h GLY 42 N 0.19 -0.88 0.54 3.75 0.00 -1.70 0.03 103.07 105.00 2ctn h GLY 42 Ca 0.00 0.35 0.20 0.00 0.00 0.00 0.00 47.33 47.88 2ctn h GLY 42 CO 0.00 -0.31 0.53 0.50 0.00 0.00 0.00 176.54 177.26 2ctn h LYS 43 N -0.72 0.11 -0.08 4.80 1.79 -1.78 -1.39 116.57 119.31 2ctn h LYS 43 Ca -0.07 -0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.37 2ctn h LYS 43 Cb 0.57 -0.02 -0.00 0.00 -1.58 0.00 0.00 32.23 31.19 2ctn h LYS 43 CO 0.08 0.07 -0.05 0.28 -1.08 0.00 0.00 179.45 178.76 2ctn h VAL 44 N 0.11 1.34 -0.39 0.50 2.07 -1.47 -3.13 116.25 115.28 2ctn h VAL 44 Ca 0.36 -1.10 0.08 0.00 0.82 0.00 0.00 66.70 66.86 2ctn h VAL 44 Cb 1.27 1.90 -0.09 0.00 -1.52 0.00 0.00 31.29 32.86 2ctn h VAL 44 CO -0.04 0.31 -0.34 0.24 0.02 0.00 0.00 177.57 177.75 2ctn h MET 45 N -0.22 -0.26 -0.71 1.57 2.86 0.16 0.46 114.93 118.78 2ctn h MET 45 Ca 0.02 0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.88 2ctn h MET 45 Cb 0.51 0.06 -0.03 0.00 0.06 0.00 0.00 31.60 32.20 2ctn h MET 45 CO 0.01 -0.17 0.53 -0.09 1.06 0.00 0.00 176.91 178.25 2ctn h ARG 46 N -0.27 0.00 0.17 1.72 2.43 -1.50 0.39 114.38 117.32 2ctn h ARG 46 Ca 0.16 0.00 -0.31 0.00 -0.81 0.00 0.00 59.98 59.02 2ctn h ARG 46 Cb 0.55 0.00 0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2ctn h ARG 46 CO -0.54 0.00 -1.33 0.52 -1.51 0.00 0.00 179.97 177.12 2ctn h MET 47 N 0.00 0.56 0.02 0.20 0.00 -0.12 -3.35 114.93 112.25 2ctn h MET 47 Ca 0.34 -0.83 -0.00 0.00 0.00 0.00 0.00 59.70 59.21 2ctn h MET 47 Cb 1.39 0.29 0.00 0.00 0.00 0.00 0.00 31.60 33.28 2ctn h MET 47 CO -0.00 1.38 -0.01 -0.07 0.00 0.00 0.00 176.91 178.21 2ctn h LEU 48 N 0.21 -0.02 0.00 1.22 3.38 0.86 -3.47 115.31 117.49 2ctn h LEU 48 Ca -0.21 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.32 2ctn h LEU 48 Cb 2.01 0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.76 2ctn h LEU 48 CO 0.25 0.44 0.00 0.61 0.09 0.00 0.00 178.44 179.82 2ctn n GLY 49 N 0.15 0.00 2.97 0.83 0.00 -0.12 -5.11 105.19 103.91 2ctn n GLY 49 Ca -0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 0.54 -0.37 1.61 -0.21 -0.78 -5.00 119.66 115.44 2ctn s GLN 50 Ca 0.00 -0.21 0.11 0.00 0.02 0.00 0.00 55.36 55.28 2ctn s GLN 50 Cb 0.00 -0.53 0.44 0.00 1.00 0.00 0.00 33.01 33.93 2ctn s GLN 50 CO 0.00 0.11 1.06 -1.71 -2.12 0.00 0.00 175.29 172.64 2ctn n ASN 51 N 3.04 3.38 -4.78 5.90 2.85 -1.26 -3.20 115.26 121.18 2ctn n ASN 51 Ca -0.14 -3.26 -0.31 0.00 -0.11 0.00 0.00 54.58 50.76 2ctn n ASN 51 Cb 0.57 -0.47 0.08 0.00 1.24 0.00 0.00 39.78 41.20 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 -3.42 2.35 0.75 1.20 0.04 -1.26 -5.05 135.00 129.60 2ctn s PRO 52 Ca 0.40 1.01 -0.05 0.00 0.04 0.00 0.00 61.00 62.40 2ctn s PRO 52 Cb 0.42 -1.92 0.11 0.00 0.04 0.00 0.00 34.50 33.15 2ctn s PRO 52 CO -0.08 -1.53 1.04 0.95 0.04 0.00 0.00 177.00 177.42 2ctn s THR 53 N -2.98 2.20 -0.47 1.26 -4.23 -1.26 -4.95 115.64 105.22 2ctn s THR 53 Ca 0.60 -0.41 0.25 0.00 -1.18 0.00 0.00 61.69 60.95 2ctn s THR 53 Cb -0.16 -2.80 0.26 0.00 1.34 0.00 0.00 72.50 71.15 2ctn s THR 53 CO 0.56 0.00 1.74 1.55 -0.54 0.00 0.00 174.62 177.93 2ctn h PRO 54 N -0.70 0.00 0.00 3.99 0.13 -2.00 -2.71 132.00 130.70 2ctn h PRO 54 Ca -0.41 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2ctn h PRO 54 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2ctn h PRO 54 CO 0.46 0.00 -0.19 1.49 -0.23 0.00 0.00 178.00 179.53 2ctn h GLU 55 N 0.00 0.00 0.00 0.86 4.81 -2.03 -3.31 114.58 114.91 2ctn h GLU 55 Ca 0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2ctn h GLU 55 Cb 0.43 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.81 2ctn h GLU 55 CO 0.00 0.96 -0.05 0.93 -0.73 0.00 0.00 179.01 180.12 2ctn h GLU 56 N -1.00 0.00 0.05 1.92 5.08 -1.94 -3.27 114.58 115.42 2ctn h GLU 56 Ca -0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2ctn h GLU 56 Cb 1.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.25 2ctn h GLU 56 CO -0.03 0.05 -0.14 1.25 -1.00 0.00 0.00 179.01 179.14 2ctn h LEU 57 N 0.00 -0.41 -0.64 1.33 5.85 -1.57 0.60 115.31 120.47 2ctn h LEU 57 Ca -0.00 0.04 0.14 0.00 0.84 0.00 0.00 57.88 58.90 2ctn h LEU 57 Cb 0.42 0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.49 2ctn h LEU 57 CO 0.01 -0.15 0.05 -0.61 -0.34 0.00 0.00 178.44 177.39 2ctn h GLN 58 N -0.21 0.15 0.00 1.25 5.75 -1.72 0.65 115.11 120.99 2ctn h GLN 58 Ca -0.00 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.49 2ctn h GLN 58 Cb 0.20 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.72 2ctn h GLN 58 CO -0.07 0.10 -0.00 0.93 -2.65 0.00 0.00 178.83 177.14 2ctn h GLU 59 N 0.16 0.00 0.17 1.69 4.39 -1.53 -1.88 114.58 117.57 2ctn h GLU 59 Ca 0.34 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 2ctn h GLU 59 Cb 0.56 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.21 2ctn h GLU 59 CO -0.52 0.00 -0.08 1.98 -1.16 0.00 0.00 179.01 179.23 2ctn h MET 60 N 0.00 -0.22 0.36 2.33 4.05 0.60 -3.12 114.93 118.94 2ctn h MET 60 Ca -0.00 0.01 -0.02 0.00 -0.28 0.00 0.00 59.70 59.42 2ctn h MET 60 Cb 0.26 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.11 2ctn h MET 60 CO 0.00 0.19 -0.17 0.82 0.23 0.00 0.00 176.91 177.98 2ctn h ILE 61 N -0.89 0.51 -1.43 1.77 5.03 -1.35 -2.93 117.51 118.22 2ctn h ILE 61 Ca -0.02 -0.66 0.47 0.00 -0.12 0.00 0.00 64.86 64.53 2ctn h ILE 61 Cb 0.51 0.77 -0.12 0.00 -3.03 0.00 0.00 36.82 34.95 2ctn h ILE 61 CO 0.04 0.10 0.94 -0.78 -0.68 0.00 0.00 178.15 177.77 2ctn h ASP 62 N -0.92 0.19 0.01 1.72 1.82 -1.51 1.72 116.42 119.45 2ctn h ASP 62 Ca -0.05 0.12 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2ctn h ASP 62 Cb 0.53 0.12 0.00 0.00 0.68 0.00 0.00 39.33 40.66 2ctn h ASP 62 CO 0.08 -0.18 -0.00 -0.33 -1.61 0.00 0.00 179.24 177.20 2ctn h GLU 63 N 0.04 -0.01 -0.00 0.28 4.39 -1.46 -3.16 114.58 114.67 2ctn h GLU 63 Ca 0.85 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.56 2ctn h GLU 63 Cb 2.83 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.48 2ctn h GLU 63 CO -0.37 0.59 -0.07 1.33 -1.16 0.00 0.00 179.01 179.33 2ctn n VAL 64 N -4.81 0.00 -3.21 3.13 0.24 0.13 -4.76 118.33 109.06 2ctn n VAL 64 Ca -0.09 -0.04 -0.40 0.00 -2.04 0.00 0.00 64.34 61.77 2ctn n VAL 64 Cb 0.30 -0.23 -0.07 0.00 -1.47 0.00 0.00 33.84 32.37 2ctn n VAL 64 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2ctn s ASP 65 N -2.46 6.51 0.00 -1.34 2.15 0.54 -4.92 116.67 117.15 2ctn s ASP 65 Ca 0.30 0.61 0.31 0.00 0.43 0.00 0.00 52.55 54.20 2ctn s ASP 65 Cb 0.20 -2.30 1.67 0.00 -0.30 0.00 0.00 42.92 42.19 2ctn s ASP 65 CO 0.46 -0.27 2.10 -0.62 -0.17 0.00 0.00 175.17 176.67 2ctn n GLU 66 N 5.34 0.98 0.00 4.34 -0.58 -1.26 -3.25 120.64 126.21 2ctn n GLU 66 Ca -0.03 -0.16 0.02 0.00 -0.42 0.00 0.00 57.16 56.57 2ctn n GLU 66 Cb 0.50 -1.50 0.01 0.00 -0.57 0.00 0.00 31.44 29.88 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 -0.88 1.06 -3.26 1.62 5.68 -1.26 -5.05 116.55 114.47 2ctn n ASP 67 Ca 0.21 -1.03 -0.22 0.00 -0.50 0.00 0.00 54.79 53.25 2ctn n ASP 67 Cb 0.18 0.21 0.02 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.39 -0.71 0.00 6.12 0.00 -1.20 -4.94 105.19 104.86 2ctn n GLY 68 Ca 0.02 1.06 0.00 0.00 0.00 0.00 0.00 46.02 47.09 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 -0.72 0.07 0.00 1.61 3.41 -1.26 -5.04 113.62 111.70 2ctn n SER 69 Ca -0.03 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 2ctn n SER 69 Cb 0.59 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.54 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 1.41 1.10 3.89 5.00 0.00 -1.26 -5.02 105.19 110.31 2ctn n GLY 70 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 4.85 -0.16 2.61 -4.23 -1.26 -0.56 115.64 114.89 2ctn s THR 71 Ca 0.00 -1.11 -0.04 0.00 -1.18 0.00 0.00 61.69 59.36 2ctn s THR 71 Cb 0.00 -3.59 0.08 0.00 1.34 0.00 0.00 72.50 70.33 2ctn s THR 71 CO 0.00 -0.27 0.25 -0.69 -0.54 0.00 0.00 174.62 173.38 2ctn s VAL 72 N -1.96 -0.40 0.00 2.29 1.01 -1.08 -4.84 120.40 115.42 2ctn s VAL 72 Ca 0.33 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ctn s VAL 72 Cb -0.09 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.74 2ctn s VAL 72 CO 0.27 -0.01 0.00 0.47 0.00 0.00 0.00 175.10 175.82 2ctn n ASP 73 N 5.34 0.00 0.03 3.32 8.00 -1.26 -0.97 116.55 131.01 2ctn n ASP 73 Ca -0.06 0.00 0.08 0.00 0.71 0.00 0.00 54.79 55.52 2ctn n ASP 73 Cb 0.50 0.00 0.34 0.00 -0.02 0.00 0.00 41.12 41.94 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 -0.39 0.00 0.00 177.20 177.14 2ctn n PHE 74 N 0.00 0.17 -0.10 1.24 7.35 -1.26 -2.67 117.46 122.18 2ctn n PHE 74 Ca 0.00 0.07 -0.15 0.00 -0.76 0.00 0.00 57.45 56.60 2ctn n PHE 74 Cb 0.00 -0.61 -0.05 0.00 0.35 0.00 0.00 39.48 39.17 2ctn n PHE 74 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2ctn n ASP 75 N -1.66 1.92 -0.33 -2.13 -0.08 -1.26 -4.20 116.55 108.81 2ctn n ASP 75 Ca 0.03 0.33 0.17 0.00 -1.51 0.00 0.00 54.79 53.81 2ctn n ASP 75 Cb 0.18 -0.75 0.40 0.00 2.34 0.00 0.00 41.12 43.28 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 -0.98 0.59 0.35 -0.67 5.08 -1.90 -1.61 114.58 115.43 2ctn h GLU 76 Ca -0.22 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.09 2ctn h GLU 76 Cb 1.18 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.29 2ctn h GLU 76 CO -0.13 0.39 -0.23 0.35 -1.00 0.00 0.00 179.01 178.39 2ctn h PHE 77 N 0.60 -0.61 -0.37 4.33 3.04 -1.73 0.48 116.94 122.68 2ctn h PHE 77 Ca 0.58 -0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.63 2ctn h PHE 77 Cb 1.13 0.22 -0.01 0.00 2.56 0.00 0.00 35.95 39.85 2ctn h PHE 77 CO -0.00 -0.33 0.48 -0.07 -2.02 0.00 0.00 178.31 176.36 2ctn h LEU 78 N -0.54 0.00 0.00 0.59 3.38 -1.61 1.02 115.31 118.14 2ctn h LEU 78 Ca -0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2ctn h LEU 78 Cb 0.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2ctn h LEU 78 CO 0.04 0.00 -0.56 0.58 0.09 0.00 0.00 178.44 178.59 2ctn h VAL 79 N 0.00 0.00 0.00 1.22 2.07 -0.34 -3.18 116.25 116.02 2ctn h VAL 79 Ca 0.18 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.85 2ctn h VAL 79 Cb 1.14 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 2ctn h VAL 79 CO -0.00 0.00 0.00 0.80 0.02 0.00 0.00 177.57 178.39 2ctn n MET 80 N -2.63 0.23 -0.03 1.57 0.00 0.35 -3.10 117.12 113.51 2ctn n MET 80 Ca 0.02 0.32 0.04 0.00 0.00 0.00 0.00 57.70 58.09 2ctn n MET 80 Cb 0.51 -1.84 -0.13 0.00 0.00 0.00 0.00 33.22 31.75 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 -2.26 0.74 0.06 2.12 2.81 -1.17 -3.78 117.12 115.64 2ctn n MET 81 Ca 0.04 -0.12 -0.01 0.00 -1.81 0.00 0.00 57.70 55.80 2ctn n MET 81 Cb 0.33 -1.42 0.27 0.00 -0.71 0.00 0.00 33.22 31.70 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 1.24 0.00 2.03 2.07 -1.52 -1.55 116.25 118.52 2ctn h VAL 82 Ca -0.11 -1.10 -0.08 0.00 0.82 0.00 0.00 66.70 66.22 2ctn h VAL 82 Cb 1.12 1.31 -0.01 0.00 -1.52 0.00 0.00 31.29 32.18 2ctn h VAL 82 CO 0.01 0.35 -0.99 0.03 0.02 0.00 0.00 177.57 176.98 2ctn h ARG 83 N 0.34 0.00 -0.75 1.57 3.08 -1.75 -3.33 114.38 113.54 2ctn h ARG 83 Ca 0.06 0.00 -0.43 0.00 0.07 0.00 0.00 59.98 59.68 2ctn h ARG 83 Cb 0.56 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.36 2ctn h ARG 83 CO 0.04 0.18 0.32 0.45 -1.07 0.00 0.00 179.97 179.89 2ctn n SER 84 N -2.88 4.02 -1.67 7.04 2.88 -1.01 -4.54 113.62 117.46 2ctn n SER 84 Ca -0.03 -3.72 -0.16 0.00 -1.33 0.00 0.00 58.87 53.63 2ctn n SER 84 Cb 0.69 -0.75 0.15 0.00 -0.75 0.00 0.00 64.21 63.55 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 -1.07 2.28 -0.20 -1.46 2.81 -0.61 -4.49 117.12 114.38 2ctn n MET 85 Ca 0.50 -3.31 0.10 0.00 -1.81 0.00 0.00 57.70 53.18 2ctn n MET 85 Cb 1.23 -2.02 0.20 0.00 -0.71 0.00 0.00 33.22 31.92 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 -1.05 2.40 0.00 0.03 2.85 -1.26 -4.46 118.16 116.67 2ctn n LYS 86 Ca 0.45 -2.19 0.00 0.00 -1.05 0.00 0.00 58.31 55.51 2ctn n LYS 86 Cb 1.10 -1.45 0.00 0.00 -0.65 0.00 0.00 35.03 34.03 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 1.26 0.00 -0.08 -5.58 8.00 -1.26 -3.77 116.55 115.13 2ctn n ASP 87 Ca 0.17 0.52 -0.10 0.00 0.71 0.00 0.00 54.79 56.09 2ctn n ASP 87 Cb 0.54 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.60 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 0.00 0.33 0.00 -2.24 1.82 -1.97 -3.56 116.42 110.80 2ctn h ASP 88 Ca 0.00 -0.09 0.00 0.00 -0.39 0.00 0.00 57.03 56.55 2ctn h ASP 88 Cb 0.00 -0.08 0.00 0.00 0.68 0.00 0.00 39.33 39.93 2ctn h ASP 88 CO 0.00 0.32 0.00 -0.24 -1.61 0.00 0.00 179.24 177.71