#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 -0.19 0.14 0.00 1.01 -1.26 -5.11 116.67 111.26 2ctn s ASP 3 Ca 0.00 -0.74 0.00 0.00 0.71 0.00 0.00 52.55 52.52 2ctn s ASP 3 Cb 0.00 0.67 0.00 0.00 1.01 0.00 0.00 42.92 44.60 2ctn s ASP 3 CO 0.00 -1.26 0.00 -0.38 0.21 0.00 0.00 175.17 173.74 2ctn n ILE 4 N -0.43 0.00 0.07 0.77 -0.00 -1.26 -4.91 119.36 113.60 2ctn n ILE 4 Ca -0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 62.75 62.69 2ctn n ILE 4 Cb 0.60 -0.15 0.20 0.00 -0.00 0.00 0.00 39.64 40.30 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 0.00 0.38 -0.69 1.39 0.05 -1.99 -3.15 116.97 112.96 2ctn h TYR 5 Ca 0.00 -0.10 0.14 0.00 0.05 0.00 0.00 58.73 58.82 2ctn h TYR 5 Cb 0.00 -0.09 -0.13 0.00 1.01 0.00 0.00 36.73 37.53 2ctn h TYR 5 CO 0.00 0.67 -0.13 0.87 -1.05 0.00 0.00 178.16 178.52 2ctn h LYS 6 N 0.28 0.02 -0.27 4.88 6.56 -1.95 0.97 116.57 127.05 2ctn h LYS 6 Ca 0.03 -0.00 0.08 0.00 -1.06 0.00 0.00 60.65 59.70 2ctn h LYS 6 Cb 0.81 -0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.46 2ctn h LYS 6 CO 0.06 0.01 0.34 0.00 -2.06 0.00 0.00 179.45 177.81 2ctn h ALA 7 N 1.68 1.89 0.21 3.86 0.00 -1.91 -0.90 119.26 124.09 2ctn h ALA 7 Ca 0.34 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.94 2ctn h ALA 7 Cb 0.54 0.02 0.03 0.00 0.00 0.00 0.00 17.79 18.38 2ctn h ALA 7 CO -0.69 -0.48 -1.40 0.00 0.00 0.00 0.00 179.25 176.68 2ctn h ALA 8 N 1.58 -0.05 0.00 0.00 0.00 0.80 -3.31 119.26 118.28 2ctn h ALA 8 Ca 0.13 -0.91 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 2ctn h ALA 8 Cb 0.81 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ctn h ALA 8 CO -0.00 0.71 -0.21 0.28 0.00 0.00 0.00 179.25 180.02 2ctn h VAL 9 N -0.01 0.83 0.00 0.00 2.07 -0.49 -2.33 116.25 116.31 2ctn h VAL 9 Ca -0.26 -0.82 -0.04 0.00 0.82 0.00 0.00 66.70 66.40 2ctn h VAL 9 Cb 2.01 1.49 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 2ctn h VAL 9 CO 0.21 0.21 -0.19 1.05 0.02 0.00 0.00 177.57 178.87 2ctn h GLU 10 N 0.00 0.00 -0.15 1.57 4.11 -1.49 -1.98 114.58 116.65 2ctn h GLU 10 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ctn h GLU 10 Cb 0.47 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2ctn h GLU 10 CO 0.03 0.19 0.00 1.04 0.07 0.00 0.00 179.01 180.34 2ctn n GLN 11 N -3.56 1.59 0.00 1.06 3.00 -0.88 -4.89 117.38 113.70 2ctn n GLN 11 Ca -0.01 -0.89 0.00 0.00 -0.01 0.00 0.00 57.00 56.09 2ctn n GLN 11 Cb 0.33 -1.36 0.00 0.00 0.00 0.00 0.00 30.24 29.21 2ctn n GLN 11 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2ctn n LEU 12 N 0.12 0.00 -4.15 1.08 4.77 -0.75 -5.04 117.00 113.04 2ctn n LEU 12 Ca 0.15 0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.90 2ctn n LEU 12 Cb 0.27 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.21 2ctn n LEU 12 CO 0.12 -0.79 -0.49 0.42 -1.33 0.00 0.00 177.39 175.32 2ctn s THR 13 N -0.34 1.28 0.60 -5.08 -4.23 -1.26 -4.99 115.64 101.61 2ctn s THR 13 Ca 0.00 -0.74 0.29 0.00 -1.18 0.00 0.00 61.69 60.06 2ctn s THR 13 Cb 0.00 -1.08 0.42 0.00 1.34 0.00 0.00 72.50 73.18 2ctn s THR 13 CO 0.00 0.32 1.54 -0.08 -0.54 0.00 0.00 174.62 175.86 2ctn h GLU 14 N 5.62 0.00 -0.00 3.99 4.81 -1.99 1.32 114.58 128.34 2ctn h GLU 14 Ca -0.36 0.00 -0.17 0.00 -0.13 0.00 0.00 59.36 58.69 2ctn h GLU 14 Cb 1.16 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.52 2ctn h GLU 14 CO 0.48 0.00 -0.81 1.49 -0.73 0.00 0.00 179.01 179.44 2ctn h GLU 15 N 0.00 0.04 0.23 1.92 4.22 -1.99 -2.23 114.58 116.76 2ctn h GLU 15 Ca 0.43 -0.04 -0.32 0.00 0.08 0.00 0.00 59.36 59.51 2ctn h GLU 15 Cb 2.39 0.01 0.03 0.00 0.50 0.00 0.00 28.75 31.68 2ctn h GLU 15 CO -0.00 0.82 -1.45 1.96 -2.18 0.00 0.00 179.01 178.16 2ctn h GLN 16 N 0.02 0.49 -0.10 1.92 4.20 0.13 -3.26 115.11 118.50 2ctn h GLN 16 Ca -0.01 -0.83 -0.03 0.00 0.06 0.00 0.00 58.65 57.83 2ctn h GLN 16 Cb 1.42 0.31 -0.00 0.00 0.30 0.00 0.00 27.48 29.51 2ctn h GLN 16 CO 0.11 1.40 -0.07 0.87 -0.67 0.00 0.00 178.83 180.46 2ctn h LYS 17 N 0.07 0.23 -0.97 1.46 1.57 -1.47 -1.60 116.57 115.86 2ctn h LYS 17 Ca -0.26 -0.11 0.21 0.00 -1.87 0.00 0.00 60.65 58.62 2ctn h LYS 17 Cb 2.09 -0.00 -0.12 0.00 0.08 0.00 0.00 32.23 34.28 2ctn h LYS 17 CO 0.24 0.61 0.56 -0.91 -0.57 0.00 0.00 179.45 179.38 2ctn h ASN 18 N -0.15 0.65 1.53 0.86 2.35 -1.54 0.37 115.58 119.65 2ctn h ASN 18 Ca 0.02 0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.80 2ctn h ASN 18 Cb 0.56 0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.93 2ctn h ASN 18 CO 0.02 0.16 -0.46 -0.08 -1.65 0.00 0.00 177.43 175.42 2ctn h GLU 19 N 0.62 0.00 0.00 0.81 4.81 -1.58 -3.10 114.58 116.15 2ctn h GLU 19 Ca 0.59 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.82 2ctn h GLU 19 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2ctn h GLU 19 CO -0.44 0.46 -0.01 0.74 -0.73 0.00 0.00 179.01 179.03 2ctn h PHE 20 N 0.00 0.00 -0.48 0.92 0.04 0.60 -3.10 116.94 114.91 2ctn h PHE 20 Ca -0.00 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.85 2ctn h PHE 20 Cb 1.35 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 39.40 2ctn h PHE 20 CO 0.00 0.00 -0.41 -0.22 -0.60 0.00 0.00 178.31 177.08 2ctn h LYS 21 N -0.10 -0.26 -0.30 1.51 3.11 -0.84 -1.30 116.57 118.40 2ctn h LYS 21 Ca 0.00 0.02 0.06 0.00 -2.81 0.00 0.00 60.65 57.92 2ctn h LYS 21 Cb 0.01 0.06 -0.08 0.00 -1.00 0.00 0.00 32.23 31.22 2ctn h LYS 21 CO 0.00 -0.17 -0.40 0.00 -2.81 0.00 0.00 179.45 176.07 2ctn h ALA 22 N 0.58 -0.43 -0.53 5.00 0.00 -1.69 -1.45 119.26 120.74 2ctn h ALA 22 Ca 0.16 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.21 2ctn h ALA 22 Cb 0.57 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 19.06 2ctn h ALA 22 CO -0.62 -0.85 -0.40 0.00 0.00 0.00 0.00 179.25 177.38 2ctn h ALA 23 N 0.39 -0.26 -0.73 0.00 0.00 -1.19 0.21 119.26 117.68 2ctn h ALA 23 Ca 0.12 0.11 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2ctn h ALA 23 Cb 0.59 0.88 -0.12 0.00 0.00 0.00 0.00 17.79 19.14 2ctn h ALA 23 CO -0.49 -0.79 0.09 0.35 0.00 0.00 0.00 179.25 178.41 2ctn h PHE 24 N -0.23 0.12 -0.08 0.00 3.04 -0.51 0.39 116.94 119.66 2ctn h PHE 24 Ca 0.18 0.05 -0.08 0.00 3.98 0.00 0.00 57.97 62.10 2ctn h PHE 24 Cb 0.56 0.06 -0.01 0.00 2.56 0.00 0.00 35.95 39.12 2ctn h PHE 24 CO -0.66 -0.16 -0.33 -0.44 -2.02 0.00 0.00 178.31 174.70 2ctn h ASP 25 N 0.18 0.15 0.52 0.41 3.32 -0.04 1.00 116.42 121.96 2ctn h ASP 25 Ca 0.40 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.40 2ctn h ASP 25 Cb 0.70 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2ctn h ASP 25 CO -0.57 0.48 -0.07 -0.38 -1.72 0.00 0.00 179.24 176.98 2ctn n ILE 26 N -4.11 0.00 -0.01 0.35 5.41 0.11 -3.31 119.36 117.81 2ctn n ILE 26 Ca -0.01 -0.02 0.00 0.00 1.00 0.00 0.00 62.75 63.71 2ctn n ILE 26 Cb 0.41 -0.29 0.00 0.00 -0.71 0.00 0.00 39.64 39.04 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 -1.18 0.00 0.62 1.39 3.72 0.23 -4.60 117.46 117.64 2ctn n PHE 27 Ca 0.13 0.00 0.07 0.00 -0.05 0.00 0.00 57.45 57.61 2ctn n PHE 27 Cb 0.27 0.00 0.05 0.00 -0.94 0.00 0.00 39.48 38.86 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 -0.58 0.00 -0.07 -4.37 0.31 0.29 -4.41 118.33 109.50 2ctn n VAL 28 Ca 0.00 -0.48 0.22 0.00 -0.01 0.00 0.00 64.34 64.07 2ctn n VAL 28 Cb 0.00 1.29 0.68 0.00 -0.91 0.00 0.00 33.84 34.91 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 2.77 0.04 -2.34 7.52 4.07 -1.79 0.13 115.31 125.70 2ctn h LEU 29 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ctn h LEU 29 Cb 0.60 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.34 2ctn h LEU 29 CO 0.00 0.02 0.00 0.61 -1.08 0.00 0.00 178.44 177.99 2ctn n GLY 30 N -1.65 1.59 1.33 0.83 0.00 -1.26 -5.03 105.19 100.99 2ctn n GLY 30 Ca 0.13 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 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 0.30 -1.31 -0.03 4.61 0.00 0.44 -4.97 120.51 119.56 2ctn n ALA 31 Ca 0.07 -0.38 -0.03 0.00 0.00 0.00 0.00 53.44 53.10 2ctn n ALA 31 Cb 0.31 -0.03 -0.04 0.00 0.00 0.00 0.00 19.45 19.68 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 -1.46 2.82 -1.73 0.00 0.28 -1.26 -4.76 120.64 114.53 2ctn n GLU 32 Ca 0.03 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.06 2ctn n GLU 32 Cb 0.15 -1.15 0.05 0.00 1.43 0.00 0.00 31.44 31.92 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2ctn n ASP 33 N -2.25 1.33 -3.11 -1.84 8.00 -1.26 -4.97 116.55 112.45 2ctn n ASP 33 Ca -0.10 -2.25 -0.19 0.00 0.71 0.00 0.00 54.79 52.96 2ctn n ASP 33 Cb 0.68 -0.36 0.07 0.00 -0.02 0.00 0.00 41.12 41.49 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 0.06 -0.30 3.22 0.44 0.00 -1.26 -5.00 105.19 102.34 2ctn n GLY 34 Ca 0.09 0.10 -0.09 0.00 0.00 0.00 0.00 46.02 46.12 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 -3.39 0.20 -0.33 1.61 0.01 -1.26 -4.74 113.70 105.79 2ctn s SER 35 Ca 0.43 -0.98 0.01 0.00 1.31 0.00 0.00 55.95 56.71 2ctn s SER 35 Cb -0.19 0.34 0.10 0.00 0.21 0.00 0.00 66.02 66.49 2ctn s SER 35 CO 0.62 -0.78 0.10 0.27 0.41 0.00 0.00 173.24 173.86 2ctn s ILE 36 N -3.98 1.33 0.90 1.44 -4.36 0.19 -4.64 121.20 112.08 2ctn s ILE 36 Ca 0.17 -1.80 -0.14 0.00 -0.26 0.00 0.00 60.65 58.62 2ctn s ILE 36 Cb 0.06 -1.99 0.15 0.00 1.25 0.00 0.00 42.46 41.93 2ctn s ILE 36 CO -0.02 -0.68 1.26 -0.55 0.24 0.00 0.00 174.94 175.19 2ctn s SER 37 N 1.27 3.67 0.59 4.36 0.15 -1.25 -1.69 113.70 120.80 2ctn s SER 37 Ca 0.11 0.45 0.37 0.00 0.70 0.00 0.00 55.95 57.58 2ctn s SER 37 Cb -0.19 -0.67 1.29 0.00 -1.71 0.00 0.00 66.02 64.74 2ctn s SER 37 CO -0.18 -2.40 1.43 0.00 1.20 0.00 0.00 173.24 173.29 2ctn h THR 38 N -1.39 0.01 0.00 6.45 1.03 -1.33 2.25 112.91 119.93 2ctn h THR 38 Ca -0.45 0.00 -0.13 0.00 -0.01 0.00 0.00 66.41 65.82 2ctn h THR 38 Cb 1.27 0.01 -0.02 0.00 -1.07 0.00 0.00 68.15 68.35 2ctn h THR 38 CO 0.49 0.00 -0.86 0.11 -0.01 0.00 0.00 175.52 175.25 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 6.56 -1.88 -3.12 116.57 118.12 2ctn h LYS 39 Ca 0.69 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 60.06 2ctn h LYS 39 Cb 3.29 0.00 -0.04 0.00 -0.57 0.00 0.00 32.23 34.90 2ctn h LYS 39 CO -0.01 0.45 -1.93 0.39 -2.06 0.00 0.00 179.45 176.29 2ctn n GLU 40 N -3.11 1.48 0.08 3.15 -0.58 0.69 -4.53 120.64 117.82 2ctn n GLU 40 Ca -0.02 -0.03 -0.16 0.00 -0.42 0.00 0.00 57.16 56.53 2ctn n GLU 40 Cb 0.78 -1.37 -0.09 0.00 -0.57 0.00 0.00 31.44 30.20 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 0.60 -0.63 -4.62 7.12 0.36 -3.33 115.31 114.82 2ctn h LEU 41 Ca -0.32 -0.54 0.06 0.00 0.13 0.00 0.00 57.88 57.21 2ctn h LEU 41 Cb 1.69 -0.19 -0.09 0.00 -0.53 0.00 0.00 40.66 41.53 2ctn h LEU 41 CO 0.02 1.36 -0.53 1.23 -0.13 0.00 0.00 178.44 180.39 2ctn h GLY 42 N 1.07 -1.04 -0.12 3.75 0.00 -1.70 0.48 103.07 105.50 2ctn h GLY 42 Ca -0.12 0.77 0.22 0.00 0.00 0.00 0.00 47.33 48.20 2ctn h GLY 42 CO 0.19 -0.10 0.45 0.50 0.00 0.00 0.00 176.54 177.58 2ctn h LYS 43 N -0.20 0.47 0.54 4.80 1.57 -1.83 -1.27 116.57 120.65 2ctn h LYS 43 Ca 0.10 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.83 2ctn h LYS 43 Cb 0.47 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2ctn h LYS 43 CO -0.70 0.31 -0.26 0.28 -0.57 0.00 0.00 179.45 178.51 2ctn h VAL 44 N 0.48 0.46 -0.85 0.50 2.07 -0.26 -2.52 116.25 116.13 2ctn h VAL 44 Ca 0.57 -0.13 0.20 0.00 0.82 0.00 0.00 66.70 68.16 2ctn h VAL 44 Cb 1.04 0.51 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 2ctn h VAL 44 CO -0.49 0.02 0.30 0.24 0.02 0.00 0.00 177.57 177.66 2ctn h MET 45 N -0.80 0.32 0.00 1.57 2.86 0.15 0.75 114.93 119.78 2ctn h MET 45 Ca -0.07 -0.02 -0.00 0.00 -2.06 0.00 0.00 59.70 57.55 2ctn h MET 45 Cb 0.59 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2ctn h MET 45 CO 0.12 0.21 -0.01 -0.09 1.06 0.00 0.00 176.91 178.21 2ctn h ARG 46 N 0.33 0.00 0.00 1.72 2.43 -1.13 -2.42 114.38 115.31 2ctn h ARG 46 Ca 0.51 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.55 2ctn h ARG 46 Cb 0.96 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.49 2ctn h ARG 46 CO -0.54 0.01 -0.66 0.00 -1.51 0.00 0.00 179.97 177.27 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 0.95 -3.19 114.93 112.89 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 0.31 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.91 2ctn h MET 47 CO 0.00 0.64 0.00 -0.07 -0.00 0.00 0.00 176.91 177.48 2ctn h LEU 48 N 0.00 0.00 0.00 -0.10 -0.00 -1.14 -3.46 115.31 110.61 2ctn h LEU 48 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2ctn h LEU 48 Cb 1.50 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.16 2ctn h LEU 48 CO 0.08 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.13 2ctn n GLY 49 N 0.42 1.96 3.86 0.83 0.00 -1.21 -5.14 105.19 105.91 2ctn n GLY 49 Ca 0.02 0.00 -0.27 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 -0.27 2.25 -0.36 1.61 -1.52 -1.20 -5.06 119.66 115.11 2ctn s GLN 50 Ca 0.00 -2.05 0.13 0.00 -1.95 0.00 0.00 55.36 51.49 2ctn s GLN 50 Cb 0.00 -1.99 0.38 0.00 -0.22 0.00 0.00 33.01 31.18 2ctn s GLN 50 CO 0.00 -0.49 0.86 -1.71 -0.25 0.00 0.00 175.29 173.70 2ctn n ASN 51 N -1.60 0.61 -4.79 5.90 2.85 -1.26 -4.56 115.26 112.41 2ctn n ASN 51 Ca -0.05 -2.96 -0.32 0.00 -0.11 0.00 0.00 54.58 51.14 2ctn n ASN 51 Cb 0.65 -0.30 0.05 0.00 1.24 0.00 0.00 39.78 41.42 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 -2.28 2.84 0.33 1.20 0.04 -1.26 -5.06 135.00 130.81 2ctn s PRO 52 Ca 0.34 1.16 0.07 0.00 0.04 0.00 0.00 61.00 62.61 2ctn s PRO 52 Cb 0.38 -1.97 -0.01 0.00 0.04 0.00 0.00 34.50 32.94 2ctn s PRO 52 CO -0.04 -1.19 0.44 0.95 0.04 0.00 0.00 177.00 177.20 2ctn s THR 53 N -2.71 4.10 -0.52 1.26 -4.23 -1.26 -4.99 115.64 107.29 2ctn s THR 53 Ca 0.62 -1.04 0.25 0.00 -1.18 0.00 0.00 61.69 60.34 2ctn s THR 53 Cb -0.17 -3.42 0.27 0.00 1.34 0.00 0.00 72.50 70.53 2ctn s THR 53 CO 0.48 -0.17 1.74 1.55 -0.54 0.00 0.00 174.62 177.68 2ctn h PRO 54 N 0.95 0.00 0.14 3.99 0.13 -1.99 -2.15 132.00 133.07 2ctn h PRO 54 Ca -0.46 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.36 2ctn h PRO 54 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2ctn h PRO 54 CO 0.54 0.00 -1.54 0.93 -0.23 0.00 0.00 178.00 177.70 2ctn h GLU 55 N 0.00 0.30 0.00 0.86 3.07 -2.02 -3.34 114.58 113.45 2ctn h GLU 55 Ca 0.00 -0.52 -0.13 0.00 -0.50 0.00 0.00 59.36 58.21 2ctn h GLU 55 Cb 0.49 0.19 -0.02 0.00 -0.84 0.00 0.00 28.75 28.58 2ctn h GLU 55 CO 0.00 1.19 -0.95 0.93 -1.40 0.00 0.00 179.01 178.78 2ctn h GLU 56 N 0.08 0.00 0.15 2.33 5.08 -1.95 -3.36 114.58 116.91 2ctn h GLU 56 Ca -0.25 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.11 2ctn h GLU 56 Cb 2.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 31.26 2ctn h GLU 56 CO 0.18 0.38 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.11 2ctn h LEU 57 N 0.00 -1.17 -0.95 1.33 3.38 -1.51 0.80 115.31 117.20 2ctn h LEU 57 Ca -0.08 0.12 0.20 0.00 0.09 0.00 0.00 57.88 58.21 2ctn h LEU 57 Cb 1.46 0.42 -0.11 0.00 0.09 0.00 0.00 40.66 42.52 2ctn h LEU 57 CO 0.05 -0.43 0.52 -0.61 0.09 0.00 0.00 178.44 178.06 2ctn h GLN 58 N -0.60 0.60 -0.23 1.13 5.75 -1.73 -0.81 115.11 119.21 2ctn h GLN 58 Ca -0.01 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.36 2ctn h GLN 58 Cb 0.59 -0.13 -0.00 0.00 1.07 0.00 0.00 27.48 29.00 2ctn h GLN 58 CO -0.18 0.40 -0.21 0.93 -2.65 0.00 0.00 178.83 177.11 2ctn h GLU 59 N 0.62 0.55 -0.90 1.69 5.08 -1.44 -2.74 114.58 117.43 2ctn h GLU 59 Ca 0.56 -0.28 0.21 0.00 -1.00 0.00 0.00 59.36 58.85 2ctn h GLU 59 Cb 0.95 0.01 -0.17 0.00 0.50 0.00 0.00 28.75 30.04 2ctn h GLU 59 CO -0.43 0.87 -0.07 1.98 -1.00 0.00 0.00 179.01 180.36 2ctn h MET 60 N 0.25 0.03 0.26 2.33 4.05 0.21 -1.01 114.93 121.05 2ctn h MET 60 Ca 0.04 -0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.44 2ctn h MET 60 Cb 0.76 -0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.55 2ctn h MET 60 CO 0.05 0.02 -0.13 0.82 0.23 0.00 0.00 176.91 177.91 2ctn h ILE 61 N 0.03 0.53 -1.04 1.77 5.03 -1.51 -2.60 117.51 119.72 2ctn h ILE 61 Ca 0.50 -0.89 0.30 0.00 -0.12 0.00 0.00 64.86 64.65 2ctn h ILE 61 Cb 0.90 0.87 -0.04 0.00 -3.03 0.00 0.00 36.82 35.52 2ctn h ILE 61 CO -0.87 0.13 1.13 -0.78 -0.68 0.00 0.00 178.15 177.08 2ctn h ASP 62 N -0.95 0.00 0.00 1.72 1.82 -0.98 2.24 116.42 120.27 2ctn h ASP 62 Ca -0.04 0.00 -0.12 0.00 -0.39 0.00 0.00 57.03 56.48 2ctn h ASP 62 Cb 0.48 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.48 2ctn h ASP 62 CO 0.06 0.00 -0.78 -0.33 -1.61 0.00 0.00 179.24 176.58 2ctn h GLU 63 N 0.00 0.00 0.00 0.28 4.39 -1.15 -3.39 114.58 114.71 2ctn h GLU 63 Ca 0.50 0.00 -0.19 0.00 0.34 0.00 0.00 59.36 60.01 2ctn h GLU 63 Cb 2.74 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 31.37 2ctn h GLU 63 CO -0.01 0.71 -0.90 -0.39 -1.16 0.00 0.00 179.01 177.26 2ctn h VAL 64 N -1.00 1.54 -3.22 3.13 -1.51 -0.53 -3.46 116.25 111.20 2ctn h VAL 64 Ca -0.19 -3.18 -0.58 0.00 -1.23 0.00 0.00 66.70 61.53 2ctn h VAL 64 Cb 0.98 2.76 0.13 0.00 -2.13 0.00 0.00 31.29 33.03 2ctn h VAL 64 CO -0.11 0.88 0.22 -0.67 -1.23 0.00 0.00 177.57 176.66 2ctn n ASP 65 N -3.32 1.45 0.01 4.19 -0.08 0.74 -4.89 116.55 114.64 2ctn n ASP 65 Ca 0.00 1.02 0.11 0.00 -1.51 0.00 0.00 54.79 54.42 2ctn n ASP 65 Cb 0.90 -1.39 0.13 0.00 2.34 0.00 0.00 41.12 43.10 2ctn n ASP 65 CO 0.00 0.00 0.00 -1.84 0.12 0.00 0.00 177.20 175.48 2ctn n GLU 66 N -0.03 0.06 0.00 -0.67 0.28 -1.26 -4.19 120.64 114.83 2ctn n GLU 66 Ca 0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.10 2ctn n GLU 66 Cb 0.40 -1.52 0.00 0.00 1.43 0.00 0.00 31.44 31.75 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 -1.60 0.21 -2.98 -1.84 5.75 -1.26 -5.05 116.55 109.78 2ctn n ASP 67 Ca 0.05 -0.55 -0.02 0.00 -0.01 0.00 0.00 54.79 54.25 2ctn n ASP 67 Cb 0.35 0.54 0.01 0.00 -1.03 0.00 0.00 41.12 40.99 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 0.54 -1.16 0.00 6.12 0.00 -1.26 -4.96 105.19 104.47 2ctn n GLY 68 Ca 0.00 0.44 0.00 0.00 0.00 0.00 0.00 46.02 46.46 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 -1.92 3.34 0.00 1.61 3.41 -1.26 -5.01 113.62 113.79 2ctn n SER 69 Ca -0.01 -0.06 0.00 0.00 -0.26 0.00 0.00 58.87 58.54 2ctn n SER 69 Cb 0.52 0.79 0.00 0.00 -0.26 0.00 0.00 64.21 65.26 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 1.79 0.75 3.53 5.00 0.00 -1.26 -5.01 105.19 109.99 2ctn n GLY 70 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.42 3.95 -0.13 2.61 -4.23 -1.26 -0.86 115.64 113.30 2ctn s THR 71 Ca 0.00 -0.35 0.02 0.00 -1.18 0.00 0.00 61.69 60.18 2ctn s THR 71 Cb 0.00 -2.72 0.00 0.00 1.34 0.00 0.00 72.50 71.13 2ctn s THR 71 CO 0.00 0.51 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.71 2ctn s VAL 72 N 0.13 2.35 0.00 2.29 1.01 -0.68 -4.85 120.40 120.64 2ctn s VAL 72 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 61.98 61.08 2ctn s VAL 72 Cb -0.14 -1.95 0.00 0.00 0.00 0.00 0.00 36.38 34.30 2ctn s VAL 72 CO 0.03 0.54 0.00 0.47 0.00 0.00 0.00 175.10 176.14 2ctn n ASP 73 N 3.84 0.16 0.28 3.32 9.92 -1.26 0.53 116.55 133.34 2ctn n ASP 73 Ca -0.19 0.00 0.16 0.00 -0.53 0.00 0.00 54.79 54.22 2ctn n ASP 73 Cb 0.52 0.00 0.80 0.00 -0.64 0.00 0.00 41.12 41.81 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 0.00 0.00 0.00 1.24 3.57 -2.00 -2.52 116.94 117.23 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 0.08 -0.37 -0.44 -2.23 0.00 0.00 178.31 175.35 2ctn h ASP 75 N 0.00 0.00 -1.06 0.41 5.19 -2.00 -3.29 116.42 115.68 2ctn h ASP 75 Ca -0.00 0.00 0.31 0.00 -0.62 0.00 0.00 57.03 56.72 2ctn h ASP 75 Cb 0.32 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.79 2ctn h ASP 75 CO 0.01 0.55 0.89 -0.33 -3.12 0.00 0.00 179.24 177.24 2ctn h GLU 76 N -0.74 0.00 0.40 3.56 5.08 -1.91 -1.01 114.58 119.96 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 0.37 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.62 2ctn h GLU 76 CO 0.00 0.00 -0.19 0.35 -1.00 0.00 0.00 179.01 178.17 2ctn h PHE 77 N 0.00 -0.50 -0.15 4.33 3.57 -1.61 -0.70 116.94 121.88 2ctn h PHE 77 Ca 0.50 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 62.03 2ctn h PHE 77 Cb 2.28 0.17 -0.01 0.00 2.79 0.00 0.00 35.95 41.18 2ctn h PHE 77 CO 0.00 -0.31 0.30 -0.07 -2.23 0.00 0.00 178.31 176.00 2ctn h LEU 78 N -0.95 0.00 0.00 0.59 3.38 -1.31 0.47 115.31 117.49 2ctn h LEU 78 Ca -0.06 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.79 2ctn h LEU 78 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2ctn h LEU 78 CO 0.09 0.00 -0.83 0.58 0.09 0.00 0.00 178.44 178.37 2ctn h VAL 79 N 0.00 0.71 0.00 1.22 2.07 -1.12 -3.23 116.25 115.89 2ctn h VAL 79 Ca 0.07 -2.09 0.00 0.00 0.82 0.00 0.00 66.70 65.50 2ctn h VAL 79 Cb 0.67 2.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.70 2ctn h VAL 79 CO -0.00 0.40 0.00 0.24 0.02 0.00 0.00 177.57 178.23 2ctn h MET 80 N 0.00 0.00 -0.18 1.57 2.86 0.15 -1.80 114.93 117.53 2ctn h MET 80 Ca -0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 2ctn h MET 80 Cb 1.44 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.10 2ctn h MET 80 CO 0.06 0.00 0.00 -1.33 1.06 0.00 0.00 176.91 176.70 2ctn n MET 81 N -2.41 2.06 -0.04 1.72 2.81 -1.19 -3.79 117.12 116.28 2ctn n MET 81 Ca 0.01 -1.91 0.01 0.00 -1.81 0.00 0.00 57.70 54.00 2ctn n MET 81 Cb 0.21 -1.42 -0.15 0.00 -0.71 0.00 0.00 33.22 31.16 2ctn n MET 81 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2ctn n VAL 82 N 1.20 0.76 0.83 2.03 0.31 -0.69 -3.45 118.33 119.33 2ctn n VAL 82 Ca 0.14 -0.68 0.10 0.00 -0.01 0.00 0.00 64.34 63.90 2ctn n VAL 82 Cb 0.53 -0.31 -0.11 0.00 -0.91 0.00 0.00 33.84 33.04 2ctn n VAL 82 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2ctn n ARG 83 N -2.56 0.11 -0.01 5.55 0.63 -1.18 -4.26 116.66 114.94 2ctn n ARG 83 Ca -0.17 -0.03 0.09 0.00 -0.92 0.00 0.00 57.85 56.82 2ctn n ARG 83 Cb 0.85 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 32.13 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 -1.63 0.84 -2.08 6.15 7.64 -1.25 -4.39 113.62 118.90 2ctn n SER 84 Ca 0.03 -0.30 -0.25 0.00 1.01 0.00 0.00 58.87 59.36 2ctn n SER 84 Cb 0.37 1.56 0.13 0.00 -1.01 0.00 0.00 64.21 65.27 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 -1.90 2.45 -2.93 1.43 2.81 -1.22 -4.52 117.12 113.24 2ctn n MET 85 Ca -0.01 -3.24 -0.43 0.00 -1.81 0.00 0.00 57.70 52.21 2ctn n MET 85 Cb 0.41 -2.17 -0.05 0.00 -0.71 0.00 0.00 33.22 30.70 2ctn n MET 85 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 2ctn s LYS 86 N -3.51 3.59 1.55 0.03 -0.14 -1.26 -4.81 119.74 115.19 2ctn s LYS 86 Ca 0.57 0.14 0.00 0.00 -1.36 0.00 0.00 55.97 55.32 2ctn s LYS 86 Cb 0.47 -3.88 0.00 0.00 -1.68 0.00 0.00 37.83 32.75 2ctn s LYS 86 CO 0.04 -1.02 0.00 -3.47 -0.76 0.00 0.00 175.35 170.14 2ctn n ASP 87 N 6.68 0.00 -2.46 2.83 2.03 -1.26 -1.51 116.55 122.85 2ctn n ASP 87 Ca 0.03 0.00 -0.01 0.00 0.52 0.00 0.00 54.79 55.33 2ctn n ASP 87 Cb 0.48 0.00 0.07 0.00 -0.72 0.00 0.00 41.12 40.95 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.90 -1.92 0.00 0.00 177.20 174.38 2ctn n ASP 88 N 2.74 -0.00 -0.23 1.67 5.75 -1.26 -5.23 116.55 119.99 2ctn n ASP 88 Ca 0.00 -2.10 0.15 0.00 -0.01 0.00 0.00 54.79 52.83 2ctn n ASP 88 Cb 0.00 0.10 0.75 0.00 -1.03 0.00 0.00 41.12 40.94 2ctn n ASP 88 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89