#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 -0.72 0.05 0.00 2.03 -1.26 -4.95 116.55 111.70 2ctn n ASP 3 Ca 0.00 -1.44 -0.04 0.00 0.52 0.00 0.00 54.79 53.83 2ctn n ASP 3 Cb 0.00 0.29 -0.02 0.00 -0.72 0.00 0.00 41.12 40.66 2ctn n ASP 3 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 2ctn h ILE 4 N 2.67 0.08 0.00 5.18 2.04 -2.05 -3.29 117.51 122.14 2ctn h ILE 4 Ca -0.30 -0.87 -0.12 0.00 1.00 0.00 0.00 64.86 64.56 2ctn h ILE 4 Cb 1.10 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.31 2ctn h ILE 4 CO -0.14 0.02 -0.58 1.88 0.00 0.00 0.00 178.15 179.34 2ctn h TYR 5 N -1.05 0.00 -0.28 1.37 0.05 -1.95 -3.31 116.97 111.79 2ctn h TYR 5 Ca -0.02 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.82 2ctn h TYR 5 Cb 0.22 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.90 2ctn h TYR 5 CO 0.01 0.58 -0.14 -0.22 -1.05 0.00 0.00 178.16 177.33 2ctn h LYS 6 N 0.00 -0.10 -1.07 4.88 3.11 -1.93 0.37 116.57 121.83 2ctn h LYS 6 Ca -0.01 0.01 0.34 0.00 -2.81 0.00 0.00 60.65 58.18 2ctn h LYS 6 Cb 1.38 0.02 -0.14 0.00 -1.00 0.00 0.00 32.23 32.50 2ctn h LYS 6 CO 0.07 -0.07 0.63 0.00 -2.81 0.00 0.00 179.45 177.28 2ctn h ALA 7 N 1.12 2.14 0.23 5.00 0.00 -1.64 0.11 119.26 126.21 2ctn h ALA 7 Ca 0.15 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 2ctn h ALA 7 Cb 0.33 0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ctn h ALA 7 CO -0.35 -0.74 -0.11 0.00 0.00 0.00 0.00 179.25 178.05 2ctn h ALA 8 N 1.78 -0.65 -1.39 0.00 0.00 -1.12 -2.98 119.26 114.90 2ctn h ALA 8 Ca 0.74 -0.07 0.41 0.00 0.00 0.00 0.00 54.91 55.99 2ctn h ALA 8 Cb 1.84 0.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.66 2ctn h ALA 8 CO -0.54 -0.63 0.97 0.28 0.00 0.00 0.00 179.25 179.33 2ctn h VAL 9 N -0.47 0.27 0.00 0.00 2.07 -0.88 1.55 116.25 118.79 2ctn h VAL 9 Ca -0.03 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.42 2ctn h VAL 9 Cb 0.23 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2ctn h VAL 9 CO 0.05 0.01 -0.22 -0.33 0.02 0.00 0.00 177.57 177.10 2ctn h GLU 10 N 0.08 0.00 -0.14 1.57 4.39 -0.73 -2.20 114.58 117.55 2ctn h GLU 10 Ca 0.71 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.41 2ctn h GLU 10 Cb 2.59 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 31.24 2ctn h GLU 10 CO -0.14 0.22 0.00 1.04 -1.16 0.00 0.00 179.01 178.98 2ctn n GLN 11 N -3.88 2.38 -0.42 2.33 6.02 0.52 -4.98 117.38 119.35 2ctn n GLN 11 Ca -0.02 -2.03 -0.27 0.00 -0.01 0.00 0.00 57.00 54.67 2ctn n GLN 11 Cb 0.31 -1.48 0.24 0.00 1.02 0.00 0.00 30.24 30.33 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 1.38 -1.29 -4.74 1.08 4.77 -0.73 -5.00 117.00 112.48 2ctn n LEU 12 Ca 0.16 -0.48 -0.31 0.00 -0.03 0.00 0.00 56.01 55.35 2ctn n LEU 12 Cb 0.60 -1.00 -0.07 0.00 -2.33 0.00 0.00 43.42 40.62 2ctn n LEU 12 CO 0.15 -3.76 -0.29 0.42 -1.33 0.00 0.00 177.39 172.58 2ctn s THR 13 N -2.19 4.34 0.41 -5.08 -4.23 -1.26 -4.99 115.64 102.64 2ctn s THR 13 Ca 0.59 -0.82 0.21 0.00 -1.18 0.00 0.00 61.69 60.48 2ctn s THR 13 Cb -0.14 -3.07 0.41 0.00 1.34 0.00 0.00 72.50 71.04 2ctn s THR 13 CO 0.55 0.14 1.74 -0.33 -0.54 0.00 0.00 174.62 176.19 2ctn h GLU 14 N 3.43 0.31 -0.23 3.99 3.07 -1.99 0.60 114.58 123.76 2ctn h GLU 14 Ca -0.47 -0.02 -0.03 0.00 -0.50 0.00 0.00 59.36 58.34 2ctn h GLU 14 Cb 1.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 28.99 2ctn h GLU 14 CO 0.63 0.20 0.02 1.49 -1.40 0.00 0.00 179.01 179.96 2ctn h GLU 15 N 0.32 0.32 0.04 2.33 4.22 -2.00 -0.79 114.58 119.03 2ctn h GLU 15 Ca 0.64 -0.05 -0.15 0.00 0.08 0.00 0.00 59.36 59.89 2ctn h GLU 15 Cb 1.74 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 30.95 2ctn h GLU 15 CO -0.32 0.33 -0.60 1.96 -2.18 0.00 0.00 179.01 178.20 2ctn h GLN 16 N 0.32 0.33 0.51 1.92 1.08 -0.19 -3.17 115.11 115.91 2ctn h GLN 16 Ca 0.08 -0.41 -0.03 0.00 -1.45 0.00 0.00 58.65 56.84 2ctn h GLN 16 Cb 0.18 0.13 0.01 0.00 -0.05 0.00 0.00 27.48 27.75 2ctn h GLN 16 CO 0.00 1.12 -0.25 -0.22 -0.95 0.00 0.00 178.83 178.53 2ctn h LYS 17 N -0.26 -0.66 -0.85 1.46 1.63 -1.23 -1.46 116.57 115.20 2ctn h LYS 17 Ca -0.09 0.05 0.20 0.00 -0.85 0.00 0.00 60.65 59.96 2ctn h LYS 17 Cb 1.36 0.15 -0.15 0.00 -0.60 0.00 0.00 32.23 32.99 2ctn h LYS 17 CO 0.12 -0.36 -0.00 -0.91 -3.45 0.00 0.00 179.45 174.85 2ctn h ASN 18 N -0.94 -0.42 -0.10 4.20 2.35 -1.30 1.32 115.58 120.70 2ctn h ASN 18 Ca -0.07 0.23 -0.01 0.00 -0.55 0.00 0.00 56.30 55.90 2ctn h ASN 18 Cb 0.61 0.40 -0.00 0.00 0.05 0.00 0.00 38.32 39.38 2ctn h ASN 18 CO 0.12 -0.24 0.02 -0.08 -1.65 0.00 0.00 177.43 175.59 2ctn h GLU 19 N 0.07 0.16 -0.08 0.81 4.81 -1.51 0.67 114.58 119.51 2ctn h GLU 19 Ca 0.48 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.64 2ctn h GLU 19 Cb 0.88 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 30.24 2ctn h GLU 19 CO -0.77 0.37 -0.02 0.74 -0.73 0.00 0.00 179.01 178.61 2ctn h PHE 20 N -0.07 0.17 -0.14 0.92 0.04 0.21 -0.29 116.94 117.79 2ctn h PHE 20 Ca 0.03 -0.04 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2ctn h PHE 20 Cb 0.29 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 38.38 2ctn h PHE 20 CO 0.02 0.47 -0.03 -0.22 -0.60 0.00 0.00 178.31 177.95 2ctn h LYS 21 N -0.17 0.20 0.05 1.51 3.11 0.16 -1.26 116.57 120.16 2ctn h LYS 21 Ca 0.02 -0.03 -0.23 0.00 -2.81 0.00 0.00 60.65 57.61 2ctn h LYS 21 Cb 0.42 -0.04 0.02 0.00 -1.00 0.00 0.00 32.23 31.63 2ctn h LYS 21 CO 0.01 0.24 -0.91 0.00 -2.81 0.00 0.00 179.45 175.98 2ctn h ALA 22 N 1.78 0.04 0.22 5.00 0.00 -0.69 -3.15 119.26 122.47 2ctn h ALA 22 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 54.91 54.27 2ctn h ALA 22 Cb 0.18 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2ctn h ALA 22 CO 0.01 0.52 -0.11 0.00 0.00 0.00 0.00 179.25 179.67 2ctn h ALA 23 N 0.30 -0.30 -0.96 0.00 0.00 -0.74 -2.34 119.26 115.23 2ctn h ALA 23 Ca -0.13 -0.16 0.23 0.00 0.00 0.00 0.00 54.91 54.86 2ctn h ALA 23 Cb 1.61 0.12 -0.12 0.00 0.00 0.00 0.00 17.79 19.40 2ctn h ALA 23 CO 0.18 -0.54 0.52 0.35 0.00 0.00 0.00 179.25 179.76 2ctn h PHE 24 N -0.56 0.89 0.00 0.00 3.04 -1.36 0.87 116.94 119.81 2ctn h PHE 24 Ca -0.03 0.04 -0.05 0.00 3.98 0.00 0.00 57.97 61.91 2ctn h PHE 24 Cb 0.41 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.68 2ctn h PHE 24 CO 0.01 0.04 -0.23 0.22 -2.02 0.00 0.00 178.31 176.32 2ctn h ASP 25 N 0.53 0.00 0.54 0.41 1.82 -1.47 -0.63 116.42 117.62 2ctn h ASP 25 Ca 0.61 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 57.25 2ctn h ASP 25 Cb 1.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.15 2ctn h ASP 25 CO -0.49 0.23 -0.99 -0.38 -1.61 0.00 0.00 179.24 176.00 2ctn n ILE 26 N -3.43 0.24 0.78 2.25 5.41 0.25 -4.03 119.36 120.83 2ctn n ILE 26 Ca -0.00 -0.29 0.09 0.00 1.00 0.00 0.00 62.75 63.55 2ctn n ILE 26 Cb 0.42 0.09 -0.11 0.00 -0.71 0.00 0.00 39.64 39.33 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 -2.07 0.00 1.21 1.39 3.72 0.14 -4.23 117.46 117.63 2ctn n PHE 27 Ca 0.02 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.54 2ctn n PHE 27 Cb 0.45 -0.04 0.28 0.00 -0.94 0.00 0.00 39.48 39.23 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 -1.49 0.00 -0.25 -4.37 0.31 -0.27 -4.14 118.33 108.11 2ctn n VAL 28 Ca 0.03 -0.34 0.28 0.00 -0.01 0.00 0.00 64.34 64.30 2ctn n VAL 28 Cb 0.30 0.99 0.67 0.00 -0.91 0.00 0.00 33.84 34.89 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 3.23 0.13 -2.81 7.52 -0.00 -1.74 0.63 115.31 122.27 2ctn h LEU 29 Ca 0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.90 2ctn h LEU 29 Cb 0.74 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 2ctn h LEU 29 CO 0.00 0.03 -0.00 0.61 -0.00 0.00 0.00 178.44 179.08 2ctn n GLY 30 N -1.67 2.45 3.02 0.83 0.00 -1.26 -5.07 105.19 103.50 2ctn n GLY 30 Ca 0.22 -0.02 -0.37 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.47 -5.47 -0.02 4.61 0.00 0.21 -4.91 120.51 114.47 2ctn n ALA 31 Ca 0.00 -0.93 -0.21 0.00 0.00 0.00 0.00 53.44 52.31 2ctn n ALA 31 Cb 0.28 -1.07 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 2ctn n ALA 31 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ctn h GLU 32 N -1.05 0.18 -0.32 0.00 3.07 -1.90 -3.41 114.58 111.16 2ctn h GLU 32 Ca -0.43 -0.31 -0.25 0.00 -0.50 0.00 0.00 59.36 57.87 2ctn h GLU 32 Cb 1.33 0.11 -0.32 0.00 -0.84 0.00 0.00 28.75 29.04 2ctn h GLU 32 CO 0.23 1.15 -0.89 -3.47 -1.40 0.00 0.00 179.01 174.63 2ctn n ASP 33 N -4.10 2.32 -0.28 1.42 2.03 -1.26 -4.93 116.55 111.75 2ctn n ASP 33 Ca -0.24 -2.86 -0.01 0.00 0.52 0.00 0.00 54.79 52.21 2ctn n ASP 33 Cb 0.81 -0.41 0.00 0.00 -0.72 0.00 0.00 41.12 40.80 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 -0.47 0.55 1.61 0.27 0.00 -1.26 -5.03 105.19 100.85 2ctn n GLY 34 Ca 0.19 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.38 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 1.66 -0.84 -3.80 1.61 7.64 -1.26 -4.88 113.62 113.76 2ctn n SER 35 Ca -0.01 -1.78 -0.30 0.00 1.01 0.00 0.00 58.87 57.80 2ctn n SER 35 Cb 0.51 1.45 -0.15 0.00 -1.01 0.00 0.00 64.21 65.00 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 -2.60 1.12 0.74 0.44 1.01 -0.02 -4.19 121.20 117.69 2ctn s ILE 36 Ca 0.10 -1.45 -0.10 0.00 0.00 0.00 0.00 60.65 59.19 2ctn s ILE 36 Cb -0.01 -1.78 0.05 0.00 0.01 0.00 0.00 42.46 40.73 2ctn s ILE 36 CO 0.07 -0.57 1.10 -0.44 0.00 0.00 0.00 174.94 175.11 2ctn s SER 37 N 1.51 4.97 0.57 3.58 0.01 -1.26 -2.31 113.70 120.76 2ctn s SER 37 Ca 0.08 0.85 0.42 0.00 1.31 0.00 0.00 55.95 58.61 2ctn s SER 37 Cb -0.18 -1.51 1.55 0.00 0.21 0.00 0.00 66.02 66.09 2ctn s SER 37 CO -0.19 -1.59 1.60 0.00 0.41 0.00 0.00 173.24 173.46 2ctn h THR 38 N -0.77 0.12 0.00 1.44 1.03 -1.80 2.29 112.91 115.21 2ctn h THR 38 Ca -0.45 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.77 2ctn h THR 38 Cb 1.29 0.13 -0.03 0.00 -1.07 0.00 0.00 68.15 68.48 2ctn h THR 38 CO 0.64 0.00 -1.00 0.50 -0.01 0.00 0.00 175.52 175.65 2ctn h LYS 39 N 0.00 0.00 0.01 0.00 1.63 -1.89 -3.01 116.57 113.30 2ctn h LYS 39 Ca 0.74 0.00 -0.36 0.00 -0.85 0.00 0.00 60.65 60.18 2ctn h LYS 39 Cb 3.16 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 34.72 2ctn h LYS 39 CO -0.01 0.63 -2.28 0.39 -3.45 0.00 0.00 179.45 174.74 2ctn n GLU 40 N -3.18 0.68 0.15 1.90 -0.58 0.66 -4.29 120.64 115.97 2ctn n GLU 40 Ca -0.03 0.08 0.02 0.00 -0.42 0.00 0.00 57.16 56.80 2ctn n GLU 40 Cb 0.87 -1.57 0.18 0.00 -0.57 0.00 0.00 31.44 30.34 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 0.00 0.00 -1.57 -4.62 6.46 0.17 -3.15 115.31 112.61 2ctn h LEU 41 Ca -0.51 0.00 0.32 0.00 -0.12 0.00 0.00 57.88 57.57 2ctn h LEU 41 Cb 2.14 0.00 -0.04 0.00 -0.73 0.00 0.00 40.66 42.03 2ctn h LEU 41 CO 0.02 0.54 1.03 1.23 -0.62 0.00 0.00 178.44 180.64 2ctn h GLY 42 N 2.40 0.00 1.91 3.75 0.00 -1.68 2.12 103.07 111.57 2ctn h GLY 42 Ca -0.01 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.23 2ctn h GLY 42 CO 0.07 0.00 -0.52 1.70 0.00 0.00 0.00 176.54 177.79 2ctn h LYS 43 N 0.00 0.00 0.00 4.80 3.64 -1.82 -3.23 116.57 119.96 2ctn h LYS 43 Ca 0.52 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.90 2ctn h LYS 43 Cb 2.57 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.39 2ctn h LYS 43 CO -0.01 0.42 -0.23 0.28 -2.27 0.00 0.00 179.45 177.65 2ctn h VAL 44 N 0.00 0.00 0.01 2.00 2.07 0.33 -3.13 116.25 117.52 2ctn h VAL 44 Ca -0.01 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.47 2ctn h VAL 44 Cb 1.35 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2ctn h VAL 44 CO 0.06 0.00 -0.17 0.24 0.02 0.00 0.00 177.57 177.72 2ctn h MET 45 N 0.00 0.09 0.00 1.57 2.86 -1.44 -2.71 114.93 115.30 2ctn h MET 45 Ca 0.00 -0.12 -0.04 0.00 -2.06 0.00 0.00 59.70 57.48 2ctn h MET 45 Cb 1.00 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.69 2ctn h MET 45 CO 0.00 0.94 -0.19 -0.09 1.06 0.00 0.00 176.91 178.62 2ctn h ARG 46 N -0.70 0.00 0.05 1.72 2.43 -1.64 0.11 114.38 116.34 2ctn h ARG 46 Ca -0.02 0.00 -0.23 0.00 -0.81 0.00 0.00 59.98 58.91 2ctn h ARG 46 Cb 1.01 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.54 2ctn h ARG 46 CO 0.03 0.19 -1.08 0.00 -1.51 0.00 0.00 179.97 177.61 2ctn h MET 47 N 0.00 0.10 0.01 0.20 -0.00 -1.60 -3.29 114.93 110.35 2ctn h MET 47 Ca -0.00 -0.17 -0.22 0.00 -0.00 0.00 0.00 59.70 59.31 2ctn h MET 47 Cb 0.55 0.06 -0.03 0.00 -0.00 0.00 0.00 31.60 32.19 2ctn h MET 47 CO 0.03 1.07 -1.08 -0.07 -0.00 0.00 0.00 176.91 176.86 2ctn h LEU 48 N 0.03 0.04 0.00 -0.10 3.38 -1.21 -3.47 115.31 113.98 2ctn h LEU 48 Ca -0.05 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.87 2ctn h LEU 48 Cb 1.83 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.57 2ctn h LEU 48 CO 0.16 1.04 0.00 0.61 0.09 0.00 0.00 178.44 180.33 2ctn n GLY 49 N 1.38 0.25 2.96 0.83 0.00 -0.72 -5.11 105.19 104.79 2ctn n GLY 49 Ca -0.02 -0.16 -0.17 0.00 0.00 0.00 0.00 46.02 45.66 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 0.59 -0.37 1.61 -1.52 0.29 -4.97 119.66 115.28 2ctn s GLN 50 Ca 0.00 -0.20 0.10 0.00 -1.95 0.00 0.00 55.36 53.31 2ctn s GLN 50 Cb 0.00 -0.58 0.45 0.00 -0.22 0.00 0.00 33.01 32.66 2ctn s GLN 50 CO 0.00 0.09 1.09 -1.71 -0.25 0.00 0.00 175.29 174.52 2ctn n ASN 51 N 3.17 3.78 -3.27 5.90 2.85 -1.26 -3.71 115.26 122.72 2ctn n ASN 51 Ca -0.16 -3.36 0.00 0.00 -0.11 0.00 0.00 54.58 50.95 2ctn n ASN 51 Cb 0.56 -0.45 0.00 0.00 1.24 0.00 0.00 39.78 41.13 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 -0.45 0.84 -4.53 1.20 -0.04 -1.26 -5.09 135.00 125.66 2ctn n PRO 52 Ca 0.31 0.00 -0.25 0.00 -0.04 0.00 0.00 63.50 63.52 2ctn n PRO 52 Cb 0.77 0.00 -0.11 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 -0.10 1.48 0.25 0.52 -4.23 -1.26 -5.03 115.64 107.28 2ctn s THR 53 Ca 0.00 -2.00 0.15 0.00 -1.18 0.00 0.00 61.69 58.66 2ctn s THR 53 Cb 0.00 -2.83 0.07 0.00 1.34 0.00 0.00 72.50 71.08 2ctn s THR 53 CO 0.00 0.00 1.72 1.55 -0.54 0.00 0.00 174.62 177.35 2ctn h PRO 54 N 1.93 0.00 0.02 3.99 0.13 -2.00 -2.62 132.00 133.45 2ctn h PRO 54 Ca -0.42 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.61 2ctn h PRO 54 Cb 1.25 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.39 2ctn h PRO 54 CO 0.74 0.46 -0.39 1.49 -0.23 0.00 0.00 178.00 180.06 2ctn h GLU 55 N 0.00 0.23 0.00 0.86 4.57 -2.02 -3.22 114.58 115.00 2ctn h GLU 55 Ca -0.00 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.88 2ctn h GLU 55 Cb 0.91 0.09 -0.00 0.00 -0.16 0.00 0.00 28.75 29.58 2ctn h GLU 55 CO 0.06 1.02 -0.08 1.49 -1.18 0.00 0.00 179.01 180.32 2ctn h GLU 56 N -0.45 0.00 0.00 1.92 4.81 -1.97 -2.98 114.58 115.92 2ctn h GLU 56 Ca -0.06 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 2ctn h GLU 56 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 2ctn h GLU 56 CO 0.08 0.08 0.00 -0.11 -0.73 0.00 0.00 179.01 178.32 2ctn n LEU 57 N -3.46 0.04 -0.27 1.64 0.00 -0.99 0.08 117.00 114.04 2ctn n LEU 57 Ca -0.02 0.88 0.08 0.00 0.00 0.00 0.00 56.01 56.95 2ctn n LEU 57 Cb 0.22 -0.42 0.22 0.00 0.00 0.00 0.00 43.42 43.44 2ctn n LEU 57 CO 0.28 -0.42 0.94 -0.61 0.00 0.00 0.00 177.39 177.58 2ctn h GLN 58 N 0.00 0.25 0.00 1.96 -0.00 -1.64 0.74 115.11 116.43 2ctn h GLN 58 Ca 0.00 -0.02 -0.02 0.00 -0.00 0.00 0.00 58.65 58.61 2ctn h GLN 58 Cb 0.00 -0.06 -0.00 0.00 0.00 0.00 0.00 27.48 27.42 2ctn h GLN 58 CO 0.00 0.17 -0.11 1.49 0.00 0.00 0.00 178.83 180.37 2ctn h GLU 59 N 0.26 0.00 0.35 1.69 4.22 -1.50 -1.68 114.58 117.91 2ctn h GLU 59 Ca 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.89 2ctn h GLU 59 Cb 0.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2ctn h GLU 59 CO -0.56 0.11 -0.17 0.52 -2.18 0.00 0.00 179.01 176.74 2ctn h MET 60 N 0.00 -0.45 -0.11 1.92 2.86 0.45 -3.21 114.93 116.39 2ctn h MET 60 Ca -0.00 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.66 2ctn h MET 60 Cb 0.40 0.10 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 2ctn h MET 60 CO 0.01 -0.14 0.01 0.82 1.06 0.00 0.00 176.91 178.68 2ctn h ILE 61 N -0.96 1.23 -1.17 -1.22 5.03 -1.43 -2.61 117.51 116.38 2ctn h ILE 61 Ca -0.05 -0.72 0.34 0.00 -0.12 0.00 0.00 64.86 64.31 2ctn h ILE 61 Cb 0.52 1.50 -0.05 0.00 -3.03 0.00 0.00 36.82 35.76 2ctn h ILE 61 CO 0.08 0.21 1.15 -0.78 -0.68 0.00 0.00 178.15 178.12 2ctn h ASP 62 N -0.06 0.00 0.00 1.72 3.58 -1.41 1.05 116.42 121.30 2ctn h ASP 62 Ca 0.03 0.00 -0.17 0.00 0.42 0.00 0.00 57.03 57.31 2ctn h ASP 62 Cb 0.31 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.33 2ctn h ASP 62 CO 0.00 0.00 -1.02 -0.33 -2.88 0.00 0.00 179.24 175.01 2ctn h GLU 63 N 0.00 0.00 0.00 0.28 5.08 -1.47 -3.35 114.58 115.12 2ctn h GLU 63 Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2ctn h GLU 63 Cb 2.84 0.00 0.00 0.00 0.50 0.00 0.00 28.75 32.09 2ctn h GLU 63 CO -0.01 0.82 0.00 1.33 -1.00 0.00 0.00 179.01 180.15 2ctn n VAL 64 N -4.48 0.00 -2.09 3.13 0.24 0.05 -4.84 118.33 110.34 2ctn n VAL 64 Ca -0.26 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.63 2ctn n VAL 64 Cb 0.59 -0.53 -0.02 0.00 -1.47 0.00 0.00 33.84 32.40 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 -2.01 6.74 -0.00 -1.34 -1.08 0.34 -4.91 116.67 114.40 2ctn s ASP 65 Ca 0.44 2.66 0.22 0.00 -0.52 0.00 0.00 52.55 55.35 2ctn s ASP 65 Cb 0.21 -2.64 -0.21 0.00 -1.46 0.00 0.00 42.92 38.82 2ctn s ASP 65 CO 0.35 -0.60 0.82 -0.62 0.52 0.00 0.00 175.17 175.64 2ctn n GLU 66 N 1.53 0.21 0.00 4.34 1.02 -1.26 -4.42 120.64 122.05 2ctn n GLU 66 Ca 0.03 -0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.12 2ctn n GLU 66 Cb 0.41 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 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 -1.75 0.39 -2.97 1.62 5.75 -1.26 -5.06 116.55 113.27 2ctn n ASP 67 Ca 0.02 -1.06 -0.04 0.00 -0.01 0.00 0.00 54.79 53.69 2ctn n ASP 67 Cb 0.40 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.50 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 -0.03 -1.27 0.00 6.12 0.00 -1.26 -4.96 105.19 103.79 2ctn n GLY 68 Ca 0.00 0.87 0.00 0.00 0.00 0.00 0.00 46.02 46.89 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 -1.04 0.16 -1.24 1.61 3.41 -1.26 -4.98 113.62 110.28 2ctn n SER 69 Ca 0.06 -1.04 -0.13 0.00 -0.26 0.00 0.00 58.87 57.49 2ctn n SER 69 Cb 0.48 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.38 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 -0.02 1.28 3.47 5.00 0.00 -1.26 -4.92 105.19 108.73 2ctn n GLY 70 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.10 2.53 -0.06 2.61 -4.23 -1.26 -2.23 115.64 110.90 2ctn s THR 71 Ca 0.00 -2.14 -0.03 0.00 -1.18 0.00 0.00 61.69 58.34 2ctn s THR 71 Cb 0.00 -2.27 0.04 0.00 1.34 0.00 0.00 72.50 71.61 2ctn s THR 71 CO 0.00 -0.24 0.12 -0.69 -0.54 0.00 0.00 174.62 173.27 2ctn s VAL 72 N -2.03 -0.18 0.00 2.29 1.01 -0.98 -4.88 120.40 115.63 2ctn s VAL 72 Ca 0.25 0.37 0.00 0.00 0.00 0.00 0.00 61.98 62.60 2ctn s VAL 72 Cb -0.07 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.08 2ctn s VAL 72 CO 0.13 0.16 0.00 -0.90 0.00 0.00 0.00 175.10 174.48 2ctn n ASP 73 N 5.22 0.00 0.24 3.32 5.68 -1.26 -0.84 116.55 128.91 2ctn n ASP 73 Ca -0.06 -0.41 0.14 0.00 -0.50 0.00 0.00 54.79 53.96 2ctn n ASP 73 Cb 0.50 0.00 0.74 0.00 -1.14 0.00 0.00 41.12 41.22 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 -0.00 0.00 0.00 2.11 3.57 -2.00 -1.88 116.94 118.74 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 -2.54 0.38 -0.38 0.41 -0.08 -1.26 -3.95 116.55 109.14 2ctn n ASP 75 Ca -0.02 0.32 0.38 0.00 -1.51 0.00 0.00 54.79 53.96 2ctn n ASP 75 Cb 0.18 -0.58 0.76 0.00 2.34 0.00 0.00 41.12 43.82 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 -0.21 0.00 0.37 -0.67 5.08 -1.88 -1.80 114.58 115.46 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 0.11 -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 -0.18 0.35 -1.00 0.00 0.00 179.01 178.18 2ctn h PHE 77 N 0.00 -0.46 -0.06 4.33 3.57 -1.51 0.53 116.94 123.34 2ctn h PHE 77 Ca 0.62 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 62.12 2ctn h PHE 77 Cb 2.48 0.15 -0.00 0.00 2.79 0.00 0.00 35.95 41.37 2ctn h PHE 77 CO -0.00 -0.29 0.43 -0.07 -2.23 0.00 0.00 178.31 176.15 2ctn h LEU 78 N -0.50 0.00 0.00 0.59 3.38 -1.46 0.99 115.31 118.30 2ctn h LEU 78 Ca -0.05 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.79 2ctn h LEU 78 Cb 0.38 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 2ctn h LEU 78 CO 0.08 0.00 -0.74 0.58 0.09 0.00 0.00 178.44 178.45 2ctn h VAL 79 N 0.00 0.83 0.00 1.22 2.07 -0.92 -3.18 116.25 116.27 2ctn h VAL 79 Ca 0.03 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 65.31 2ctn h VAL 79 Cb 0.88 2.36 0.00 0.00 -1.52 0.00 0.00 31.29 33.01 2ctn h VAL 79 CO -0.00 0.47 0.00 0.80 0.02 0.00 0.00 177.57 178.86 2ctn n MET 80 N -3.15 0.22 -0.01 1.57 0.00 0.34 -2.64 117.12 113.45 2ctn n MET 80 Ca -0.01 0.12 0.06 0.00 0.00 0.00 0.00 57.70 57.87 2ctn n MET 80 Cb 0.77 -1.50 -0.10 0.00 0.00 0.00 0.00 33.22 32.40 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 -1.33 0.58 0.14 2.12 2.81 -1.20 -3.85 117.12 116.38 2ctn n MET 81 Ca 0.08 -0.11 0.01 0.00 -1.81 0.00 0.00 57.70 55.88 2ctn n MET 81 Cb 0.17 -1.28 0.11 0.00 -0.71 0.00 0.00 33.22 31.50 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 1.13 0.00 2.03 2.07 -1.49 -1.71 116.25 118.28 2ctn h VAL 82 Ca 0.00 -2.27 0.00 0.00 0.82 0.00 0.00 66.70 65.25 2ctn h VAL 82 Cb 0.55 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.66 2ctn h VAL 82 CO 0.00 0.58 -1.17 -1.14 0.02 0.00 0.00 177.57 175.86 2ctn n ARG 83 N -3.42 0.21 -0.11 1.57 0.63 -1.20 -4.05 116.66 110.30 2ctn n ARG 83 Ca 0.00 -0.04 -0.20 0.00 -0.92 0.00 0.00 57.85 56.69 2ctn n ARG 83 Cb 0.70 -1.53 -0.09 0.00 0.45 0.00 0.00 32.46 31.99 2ctn n ARG 83 CO 0.00 0.00 0.00 0.43 -2.51 0.00 0.00 177.63 175.55 2ctn n SER 84 N -1.78 1.89 0.12 6.15 7.64 -1.20 -4.51 113.62 121.93 2ctn n SER 84 Ca 0.02 0.42 -0.14 0.00 1.01 0.00 0.00 58.87 60.18 2ctn n SER 84 Cb 0.41 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.66 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 2ctn h MET 85 N -1.00 -0.58 -3.20 1.43 2.86 -1.53 -3.46 114.93 109.45 2ctn h MET 85 Ca -0.38 0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.27 2ctn h MET 85 Cb 1.25 0.13 -0.12 0.00 0.06 0.00 0.00 31.60 32.92 2ctn h MET 85 CO -0.23 -0.39 0.07 0.21 1.06 0.00 0.00 176.91 177.64 2ctn s LYS 86 N -5.97 1.20 0.25 1.72 2.20 -1.26 -5.02 119.74 112.86 2ctn s LYS 86 Ca -0.16 -0.61 0.13 0.00 -0.36 0.00 0.00 55.97 54.97 2ctn s LYS 86 Cb 0.08 0.53 0.10 0.00 -1.51 0.00 0.00 37.83 37.03 2ctn s LYS 86 CO 0.64 -0.50 1.45 0.22 -0.36 0.00 0.00 175.35 176.80 2ctn h ASP 87 N 2.17 0.00 -0.75 1.43 1.82 -1.84 -3.37 116.42 115.88 2ctn h ASP 87 Ca -0.33 0.00 -0.31 0.00 -0.39 0.00 0.00 57.03 56.00 2ctn h ASP 87 Cb 1.28 0.00 -0.40 0.00 0.68 0.00 0.00 39.33 40.89 2ctn h ASP 87 CO 0.42 0.64 -1.16 -0.67 -1.61 0.00 0.00 179.24 176.86 2ctn n ASP 88 N -3.35 1.51 0.00 2.28 -0.08 -1.26 -5.00 116.55 110.65 2ctn n ASP 88 Ca 0.01 -2.41 0.07 0.00 -1.51 0.00 0.00 54.79 50.94 2ctn n ASP 88 Cb 0.75 -0.51 0.42 0.00 2.34 0.00 0.00 41.12 44.13 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08