#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 -6.83 -0.06 0.00 8.00 -1.26 -4.96 116.55 111.44 2ctn n ASP 3 Ca 0.00 -0.40 -0.04 0.00 0.71 0.00 0.00 54.79 55.06 2ctn n ASP 3 Cb 0.00 -4.27 -0.02 0.00 -0.02 0.00 0.00 41.12 36.81 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 0.02 0.18 -0.12 0.53 5.03 -2.06 -3.35 117.51 117.74 2ctn h ILE 4 Ca -0.24 -1.17 -0.20 0.00 -0.12 0.00 0.00 64.86 63.13 2ctn h ILE 4 Cb 1.14 0.37 0.00 0.00 -3.03 0.00 0.00 36.82 35.31 2ctn h ILE 4 CO 0.34 0.06 -0.75 1.88 -0.68 0.00 0.00 178.15 179.00 2ctn h TYR 5 N -1.00 0.84 -1.02 1.37 0.05 -1.96 -3.16 116.97 112.09 2ctn h TYR 5 Ca -0.02 -0.37 0.33 0.00 0.05 0.00 0.00 58.73 58.72 2ctn h TYR 5 Cb 0.36 -0.13 -0.15 0.00 1.01 0.00 0.00 36.73 37.82 2ctn h TYR 5 CO -0.06 1.17 0.59 -0.22 -1.05 0.00 0.00 178.16 178.58 2ctn h LYS 6 N 0.43 0.29 -0.54 4.88 1.63 -1.97 1.48 116.57 122.77 2ctn h LYS 6 Ca -0.04 -0.02 0.12 0.00 -0.85 0.00 0.00 60.65 59.86 2ctn h LYS 6 Cb 1.35 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.89 2ctn h LYS 6 CO 0.14 0.19 0.38 0.00 -3.45 0.00 0.00 179.45 176.71 2ctn h ALA 7 N 1.84 2.25 0.02 5.00 0.00 -1.68 -0.48 119.26 126.21 2ctn h ALA 7 Ca 0.74 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.64 2ctn h ALA 7 Cb 1.75 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.52 2ctn h ALA 7 CO -0.60 -0.39 -0.01 0.00 0.00 0.00 0.00 179.25 178.25 2ctn h ALA 8 N 1.73 -0.02 0.00 0.00 0.00 0.19 -2.88 119.26 118.28 2ctn h ALA 8 Ca 0.26 -0.37 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ctn h ALA 8 Cb 0.76 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2ctn h ALA 8 CO -0.04 -0.05 0.14 0.28 0.00 0.00 0.00 179.25 179.58 2ctn h VAL 9 N -0.95 0.00 0.00 0.00 2.07 -0.93 0.23 116.25 116.66 2ctn h VAL 9 Ca -0.00 0.00 -0.16 0.00 0.82 0.00 0.00 66.70 67.36 2ctn h VAL 9 Cb 0.74 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2ctn h VAL 9 CO 0.00 0.00 -1.20 -0.08 0.02 0.00 0.00 177.57 176.32 2ctn h GLU 10 N 0.00 0.00 -0.01 1.57 4.81 -1.10 -3.28 114.58 116.58 2ctn h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2ctn h GLU 10 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 2ctn h GLU 10 CO 0.00 0.36 -0.02 1.04 -0.73 0.00 0.00 179.01 179.66 2ctn n GLN 11 N -2.98 1.20 -0.12 1.92 6.02 0.78 -4.88 117.38 119.32 2ctn n GLN 11 Ca -0.07 -0.40 -0.11 0.00 -0.01 0.00 0.00 57.00 56.42 2ctn n GLN 11 Cb 0.82 -1.49 0.10 0.00 1.02 0.00 0.00 30.24 30.69 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 -0.55 0.00 -4.22 1.08 4.77 -1.06 -5.04 117.00 111.98 2ctn n LEU 12 Ca 0.21 -0.32 -0.23 0.00 -0.03 0.00 0.00 56.01 55.64 2ctn n LEU 12 Cb 0.23 -0.35 -0.13 0.00 -2.33 0.00 0.00 43.42 40.84 2ctn n LEU 12 CO 0.18 -1.88 -0.50 0.42 -1.33 0.00 0.00 177.39 174.29 2ctn s THR 13 N -1.43 1.45 0.59 -5.08 -4.23 -1.26 -4.99 115.64 100.69 2ctn s THR 13 Ca 0.23 -1.25 0.34 0.00 -1.18 0.00 0.00 61.69 59.84 2ctn s THR 13 Cb -0.04 -1.31 0.49 0.00 1.34 0.00 0.00 72.50 72.99 2ctn s THR 13 CO 0.19 0.03 1.48 -0.08 -0.54 0.00 0.00 174.62 175.70 2ctn h GLU 14 N 4.61 0.00 -0.09 3.99 4.81 -1.98 1.77 114.58 127.69 2ctn h GLU 14 Ca -0.42 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 58.69 2ctn h GLU 14 Cb 1.17 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2ctn h GLU 14 CO 0.42 0.00 -0.49 0.93 -0.73 0.00 0.00 179.01 179.14 2ctn h GLU 15 N 0.00 0.24 0.02 1.92 5.08 -1.99 -1.35 114.58 118.50 2ctn h GLU 15 Ca 0.58 -0.13 -0.07 0.00 -1.00 0.00 0.00 59.36 58.73 2ctn h GLU 15 Cb 2.90 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 32.15 2ctn h GLU 15 CO -0.01 0.68 -0.37 0.37 -1.00 0.00 0.00 179.01 178.69 2ctn h GLN 16 N 0.19 0.05 0.00 2.33 5.75 0.23 -3.20 115.11 120.45 2ctn h GLN 16 Ca 0.01 -0.08 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 2ctn h GLN 16 Cb 0.94 0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.52 2ctn h GLN 16 CO 0.08 1.04 0.00 0.87 -2.65 0.00 0.00 178.83 178.17 2ctn h LYS 17 N -0.89 0.00 -0.02 1.69 1.57 -1.50 0.10 116.57 117.52 2ctn h LYS 17 Ca -0.09 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2ctn h LYS 17 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.49 2ctn h LYS 17 CO -0.01 0.00 -0.59 -0.91 -0.57 0.00 0.00 179.45 177.37 2ctn h ASN 18 N 0.00 0.55 0.85 0.86 2.35 -1.31 -2.32 115.58 116.56 2ctn h ASN 18 Ca 0.00 -0.74 -0.22 0.00 -0.55 0.00 0.00 56.30 54.79 2ctn h ASN 18 Cb 0.26 -0.17 -0.04 0.00 0.05 0.00 0.00 38.32 38.43 2ctn h ASN 18 CO 0.00 1.22 -1.24 -0.33 -1.65 0.00 0.00 177.43 175.43 2ctn h GLU 19 N -0.05 0.00 0.31 0.81 3.07 -1.48 -2.96 114.58 114.28 2ctn h GLU 19 Ca -0.07 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.78 2ctn h GLU 19 Cb 1.29 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.20 2ctn h GLU 19 CO 0.12 0.68 -0.15 0.74 -1.40 0.00 0.00 179.01 179.00 2ctn h PHE 20 N 0.00 -0.39 0.07 4.33 -1.00 -0.90 -2.30 116.94 116.75 2ctn h PHE 20 Ca -0.12 -0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.67 2ctn h PHE 20 Cb 1.79 0.13 -0.04 0.00 3.61 0.00 0.00 35.95 41.44 2ctn h PHE 20 CO 0.00 -0.24 -0.28 -0.22 -1.61 0.00 0.00 178.31 175.96 2ctn h LYS 21 N -0.87 -0.44 -0.62 1.51 3.64 -1.59 -2.09 116.57 116.12 2ctn h LYS 21 Ca -0.04 0.03 0.11 0.00 -1.27 0.00 0.00 60.65 59.48 2ctn h LYS 21 Cb 0.32 0.10 -0.12 0.00 -0.41 0.00 0.00 32.23 32.12 2ctn h LYS 21 CO 0.07 -0.29 -0.28 0.00 -2.27 0.00 0.00 179.45 176.68 2ctn h ALA 22 N 0.29 0.12 -0.86 5.00 0.00 -1.64 0.37 119.26 122.54 2ctn h ALA 22 Ca 0.04 0.20 0.16 0.00 0.00 0.00 0.00 54.91 55.31 2ctn h ALA 22 Cb 0.51 0.69 -0.10 0.00 0.00 0.00 0.00 17.79 18.90 2ctn h ALA 22 CO -0.20 -0.59 0.44 0.00 0.00 0.00 0.00 179.25 178.91 2ctn h ALA 23 N 1.22 1.31 -0.44 0.00 0.00 -0.80 0.71 119.26 121.27 2ctn h ALA 23 Ca 0.26 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.32 2ctn h ALA 23 Cb 0.53 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2ctn h ALA 23 CO -0.68 -0.11 0.16 0.35 0.00 0.00 0.00 179.25 178.96 2ctn h PHE 24 N 0.61 0.28 0.00 0.00 3.04 0.36 1.75 116.94 122.98 2ctn h PHE 24 Ca 0.48 0.02 0.00 0.00 3.98 0.00 0.00 57.97 62.45 2ctn h PHE 24 Cb 0.70 -0.06 0.00 0.00 2.56 0.00 0.00 35.95 39.15 2ctn h PHE 24 CO -0.09 0.10 0.00 0.22 -2.02 0.00 0.00 178.31 176.52 2ctn h ASP 25 N 0.32 0.00 0.02 0.41 1.82 -0.39 -0.36 116.42 118.25 2ctn h ASP 25 Ca 0.20 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.84 2ctn h ASP 25 Cb 0.20 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.21 2ctn h ASP 25 CO -0.21 0.00 -1.84 -0.38 -1.61 0.00 0.00 179.24 175.20 2ctn n ILE 26 N -2.83 0.01 0.00 2.25 5.41 0.05 -4.37 119.36 119.89 2ctn n ILE 26 Ca 0.02 -0.43 0.10 0.00 1.00 0.00 0.00 62.75 63.44 2ctn n ILE 26 Cb 0.33 0.13 -0.16 0.00 -0.71 0.00 0.00 39.64 39.23 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 -2.16 0.00 0.74 1.39 3.72 0.58 -4.18 117.46 117.54 2ctn n PHE 27 Ca -0.03 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.47 2ctn n PHE 27 Cb 0.54 -0.46 0.45 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 -2.20 0.55 -0.15 -4.37 0.31 -0.16 -3.25 118.33 109.07 2ctn n VAL 28 Ca -0.04 0.14 0.28 0.00 -0.01 0.00 0.00 64.34 64.71 2ctn n VAL 28 Cb 0.53 -0.78 0.72 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 0.00 -1.51 7.52 4.07 -1.78 0.82 115.31 124.43 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 0.35 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.09 2ctn h LEU 29 CO 0.00 0.00 -0.19 0.61 -1.08 0.00 0.00 178.44 177.78 2ctn n GLY 30 N -1.69 0.53 0.00 0.83 0.00 -1.20 -4.93 105.19 98.73 2ctn n GLY 30 Ca 0.17 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.55 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 0.74 0.00 0.00 4.61 0.00 0.29 -5.03 120.51 121.11 2ctn n ALA 31 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2ctn n ALA 31 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 0.00 0.00 0.00 4.07 -1.26 -4.92 120.64 118.53 2ctn n GLU 32 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 2ctn n GLU 32 Cb 0.00 0.00 0.06 0.00 -0.06 0.00 0.00 31.44 31.44 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.40 -0.06 0.00 0.00 177.13 176.67 2ctn n ASP 33 N -0.86 2.39 -0.17 4.31 5.75 -1.26 -4.96 116.55 121.76 2ctn n ASP 33 Ca 0.00 -1.70 0.00 0.00 -0.01 0.00 0.00 54.79 53.08 2ctn n ASP 33 Cb 0.00 0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.25 2ctn n ASP 33 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2ctn n GLY 34 N 1.18 0.85 0.00 6.12 0.00 -1.26 -5.09 105.19 106.98 2ctn n GLY 34 Ca 0.10 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 0.20 0.00 -3.40 1.61 7.64 -1.26 -4.86 113.62 113.54 2ctn n SER 35 Ca 0.00 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.72 2ctn n SER 35 Cb 0.13 0.00 -0.10 0.00 -1.01 0.00 0.00 64.21 63.23 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 -1.80 -0.42 0.59 0.44 1.01 0.10 -4.60 121.20 116.52 2ctn s ILE 36 Ca 0.00 -0.41 -0.13 0.00 0.00 0.00 0.00 60.65 60.11 2ctn s ILE 36 Cb 0.00 -0.94 -0.05 0.00 0.01 0.00 0.00 42.46 41.48 2ctn s ILE 36 CO 0.00 -0.41 1.02 -0.55 0.00 0.00 0.00 174.94 175.00 2ctn s SER 37 N 2.38 6.23 0.63 3.58 0.15 -1.26 -1.13 113.70 124.28 2ctn s SER 37 Ca 0.09 1.53 0.23 0.00 0.70 0.00 0.00 55.95 58.50 2ctn s SER 37 Cb -0.14 -2.49 1.10 0.00 -1.71 0.00 0.00 66.02 62.78 2ctn s SER 37 CO -0.29 -0.86 1.60 0.00 1.20 0.00 0.00 173.24 174.88 2ctn h THR 38 N 0.12 0.10 0.06 6.45 1.03 -1.69 2.32 112.91 121.31 2ctn h THR 38 Ca -0.45 0.00 -0.24 0.00 -0.01 0.00 0.00 66.41 65.70 2ctn h THR 38 Cb 1.19 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2ctn h THR 38 CO 0.61 0.00 -1.08 0.50 -0.01 0.00 0.00 175.52 175.54 2ctn h LYS 39 N 0.00 0.30 0.00 0.00 3.11 -1.90 -3.08 116.57 115.00 2ctn h LYS 39 Ca 0.16 -0.41 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 2ctn h LYS 39 Cb 1.54 0.14 0.00 0.00 -1.00 0.00 0.00 32.23 32.90 2ctn h LYS 39 CO -0.00 1.14 -1.14 -0.85 -2.81 0.00 0.00 179.45 175.78 2ctn n GLU 40 N -3.62 1.50 0.07 1.90 -0.00 0.21 -4.47 120.64 116.24 2ctn n GLU 40 Ca -0.07 -0.07 -0.09 0.00 -0.00 0.00 0.00 57.16 56.93 2ctn n GLU 40 Cb 0.93 -1.20 -0.13 0.00 -0.00 0.00 0.00 31.44 31.04 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2ctn h LEU 41 N 0.00 0.12 -1.86 -1.84 7.12 0.34 -3.25 115.31 115.93 2ctn h LEU 41 Ca 0.00 -0.12 0.36 0.00 0.13 0.00 0.00 57.88 58.24 2ctn h LEU 41 Cb 0.45 -0.04 -0.06 0.00 -0.53 0.00 0.00 40.66 40.48 2ctn h LEU 41 CO 0.00 1.10 0.88 1.23 -0.13 0.00 0.00 178.44 181.52 2ctn h GLY 42 N 2.62 0.27 1.68 3.75 0.00 -1.69 0.86 103.07 110.56 2ctn h GLY 42 Ca -0.04 -0.04 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 2ctn h GLY 42 CO 0.15 -0.05 -0.10 0.50 0.00 0.00 0.00 176.54 177.04 2ctn h LYS 43 N 0.07 0.40 0.10 4.80 1.79 -1.85 -2.81 116.57 119.06 2ctn h LYS 43 Ca 0.62 -0.10 -0.00 0.00 -2.18 0.00 0.00 60.65 58.99 2ctn h LYS 43 Cb 2.31 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.91 2ctn h LYS 43 CO -0.08 0.51 -0.05 0.28 -1.08 0.00 0.00 179.45 179.03 2ctn h VAL 44 N 0.37 1.13 -0.58 0.50 2.07 0.56 -3.06 116.25 117.25 2ctn h VAL 44 Ca 0.07 -1.11 0.12 0.00 0.82 0.00 0.00 66.70 66.60 2ctn h VAL 44 Cb 0.41 1.81 -0.10 0.00 -1.52 0.00 0.00 31.29 31.89 2ctn h VAL 44 CO 0.02 0.26 -0.08 0.24 0.02 0.00 0.00 177.57 178.03 2ctn h MET 45 N -0.67 0.05 -0.12 1.57 2.86 -1.44 0.36 114.93 117.53 2ctn h MET 45 Ca -0.01 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.66 2ctn h MET 45 Cb 0.53 -0.01 -0.00 0.00 0.06 0.00 0.00 31.60 32.17 2ctn h MET 45 CO 0.02 0.03 0.12 -0.09 1.06 0.00 0.00 176.91 178.05 2ctn h ARG 46 N 0.05 0.00 0.00 1.72 1.12 -1.53 0.71 114.38 116.45 2ctn h ARG 46 Ca 0.29 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.16 2ctn h ARG 46 Cb 0.45 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.41 2ctn h ARG 46 CO -0.55 0.00 -0.01 0.00 -3.11 0.00 0.00 179.97 176.30 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -0.18 -3.22 114.93 111.73 2ctn h MET 47 Ca 0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.74 2ctn h MET 47 Cb 0.29 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.89 2ctn h MET 47 CO -0.00 0.00 -1.41 1.28 -0.00 0.00 0.00 176.91 176.78 2ctn n LEU 48 N -2.46 0.54 0.00 -0.10 4.77 0.18 -4.94 117.00 114.98 2ctn n LEU 48 Ca 0.05 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.24 2ctn n LEU 48 Cb 0.45 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.53 2ctn n LEU 48 CO 0.31 -0.08 0.00 0.61 -1.33 0.00 0.00 177.39 176.90 2ctn n GLY 49 N 1.24 1.67 3.86 -0.72 0.00 -0.96 -5.13 105.19 105.16 2ctn n GLY 49 Ca -0.03 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 3.22 -0.31 1.61 -1.52 -0.81 -5.01 119.66 116.84 2ctn s GLN 50 Ca 0.00 -0.54 0.19 0.00 -1.95 0.00 0.00 55.36 53.06 2ctn s GLN 50 Cb 0.00 -2.92 0.47 0.00 -0.22 0.00 0.00 33.01 30.34 2ctn s GLN 50 CO 0.00 0.59 0.99 -1.71 -0.25 0.00 0.00 175.29 174.91 2ctn n ASN 51 N 0.36 1.41 -4.27 5.90 4.05 -1.26 -3.70 115.26 117.75 2ctn n ASN 51 Ca -0.06 -2.57 -0.29 0.00 0.45 0.00 0.00 54.58 52.10 2ctn n ASN 51 Cb 0.51 -0.49 0.20 0.00 1.23 0.00 0.00 39.78 41.22 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 -3.19 -0.11 0.34 1.20 0.04 -1.26 -5.07 135.00 126.94 2ctn s PRO 52 Ca 0.27 0.10 0.08 0.00 0.04 0.00 0.00 61.00 61.49 2ctn s PRO 52 Cb 0.43 -1.71 -0.04 0.00 0.04 0.00 0.00 34.50 33.22 2ctn s PRO 52 CO 0.02 -3.01 0.10 0.95 0.04 0.00 0.00 177.00 175.11 2ctn s THR 53 N -3.17 2.97 -0.74 1.26 -4.23 -1.26 -5.00 115.64 105.46 2ctn s THR 53 Ca 0.68 -1.77 0.22 0.00 -1.18 0.00 0.00 61.69 59.64 2ctn s THR 53 Cb -0.12 -2.93 0.21 0.00 1.34 0.00 0.00 72.50 71.00 2ctn s THR 53 CO 0.55 -0.20 1.66 -0.81 -0.54 0.00 0.00 174.62 175.29 2ctn n PRO 54 N -1.09 0.12 0.05 3.99 -0.04 -1.26 -2.60 135.00 134.16 2ctn n PRO 54 Ca -0.04 0.29 -0.11 0.00 -0.04 0.00 0.00 63.50 63.60 2ctn n PRO 54 Cb 0.61 -1.70 -0.13 0.00 -0.04 0.00 0.00 33.50 32.24 2ctn n PRO 54 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2ctn h GLU 55 N 0.00 0.11 0.00 0.54 5.08 -2.02 -3.29 114.58 115.00 2ctn h GLU 55 Ca 0.00 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2ctn h GLU 55 Cb 0.39 0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2ctn h GLU 55 CO 0.00 0.96 -0.59 -1.91 -1.00 0.00 0.00 179.01 176.46 2ctn n GLU 56 N -3.34 0.13 0.02 2.33 2.13 -1.13 -4.25 120.64 116.53 2ctn n GLU 56 Ca -0.09 0.03 -0.06 0.00 0.66 0.00 0.00 57.16 57.69 2ctn n GLU 56 Cb 1.00 -1.57 -0.04 0.00 0.27 0.00 0.00 31.44 31.10 2ctn n GLU 56 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 2ctn h LEU 57 N 0.00 -0.14 -0.98 4.31 3.38 -1.58 -1.58 115.31 118.73 2ctn h LEU 57 Ca 0.00 -0.21 0.33 0.00 0.09 0.00 0.00 57.88 58.08 2ctn h LEU 57 Cb 0.61 0.04 -0.16 0.00 0.09 0.00 0.00 40.66 41.23 2ctn h LEU 57 CO 0.00 0.43 0.45 -0.61 0.09 0.00 0.00 178.44 178.80 2ctn h GLN 58 N -1.00 0.19 0.00 1.13 5.75 -1.74 0.71 115.11 120.15 2ctn h GLN 58 Ca -0.02 -0.01 -0.22 0.00 -0.15 0.00 0.00 58.65 58.26 2ctn h GLN 58 Cb 0.34 -0.04 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2ctn h GLN 58 CO 0.03 0.13 -1.05 0.93 -2.65 0.00 0.00 178.83 176.22 2ctn h GLU 59 N 0.20 0.00 -0.50 1.69 5.08 -1.74 -3.14 114.58 116.18 2ctn h GLU 59 Ca 0.72 -0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.96 2ctn h GLU 59 Cb 1.67 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.91 2ctn h GLU 59 CO -0.68 0.97 -0.13 1.98 -1.00 0.00 0.00 179.01 180.15 2ctn h MET 60 N 0.00 0.94 -0.00 2.33 4.05 0.14 -3.17 114.93 119.21 2ctn h MET 60 Ca -0.03 -0.34 -0.00 0.00 -0.28 0.00 0.00 59.70 59.05 2ctn h MET 60 Cb 1.79 -0.06 -0.00 0.00 -0.80 0.00 0.00 31.60 32.53 2ctn h MET 60 CO 0.13 1.00 -0.00 0.82 0.23 0.00 0.00 176.91 179.09 2ctn h ILE 61 N 0.83 1.33 -1.00 1.77 2.04 -1.06 -2.51 117.51 118.91 2ctn h ILE 61 Ca 0.13 -0.96 0.29 0.00 1.00 0.00 0.00 64.86 65.32 2ctn h ILE 61 Cb 0.67 1.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.68 2ctn h ILE 61 CO 0.05 0.25 0.96 0.44 0.00 0.00 0.00 178.15 179.85 2ctn h ASP 62 N -0.40 0.00 0.00 1.72 3.32 -1.52 1.76 116.42 121.31 2ctn h ASP 62 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2ctn h ASP 62 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 2ctn h ASP 62 CO 0.00 0.00 -0.34 -0.08 -1.72 0.00 0.00 179.24 177.10 2ctn h GLU 63 N 0.00 0.00 -0.45 3.56 4.57 -1.51 -3.40 114.58 117.35 2ctn h GLU 63 Ca 0.48 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.54 2ctn h GLU 63 Cb 2.40 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.98 2ctn h GLU 63 CO -0.01 0.00 -0.20 -0.39 -1.18 0.00 0.00 179.01 177.24 2ctn h VAL 64 N -0.82 1.27 -3.92 0.32 -1.51 -0.95 -3.43 116.25 107.20 2ctn h VAL 64 Ca 0.00 -1.34 -0.52 0.00 -1.23 0.00 0.00 66.70 63.61 2ctn h VAL 64 Cb 0.34 1.13 0.08 0.00 -2.13 0.00 0.00 31.29 30.71 2ctn h VAL 64 CO 0.00 0.46 0.63 -0.62 -1.23 0.00 0.00 177.57 176.81 2ctn s ASP 65 N -6.72 6.50 0.02 4.19 2.15 0.59 -4.93 116.67 118.48 2ctn s ASP 65 Ca -0.10 2.68 0.12 0.00 0.43 0.00 0.00 52.55 55.67 2ctn s ASP 65 Cb 0.13 -2.64 -0.21 0.00 -0.30 0.00 0.00 42.92 39.90 2ctn s ASP 65 CO 0.85 -0.72 0.87 -0.33 -0.17 0.00 0.00 175.17 175.68 2ctn h GLU 66 N 2.97 0.00 -0.17 4.34 3.07 -1.84 -3.35 114.58 119.60 2ctn h GLU 66 Ca -0.49 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.37 2ctn h GLU 66 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2ctn h GLU 66 CO 0.64 0.61 0.00 -0.40 -1.40 0.00 0.00 179.01 178.46 2ctn n ASP 67 N -3.12 2.46 -4.22 1.42 5.75 -1.26 -4.97 116.55 112.60 2ctn n ASP 67 Ca -0.11 -1.72 -0.34 0.00 -0.01 0.00 0.00 54.79 52.61 2ctn n ASP 67 Cb 0.99 -0.11 -0.05 0.00 -1.03 0.00 0.00 41.12 40.93 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 0.67 -0.33 0.12 6.12 0.00 -1.26 -4.81 105.19 105.71 2ctn n GLY 68 Ca 0.10 0.14 0.10 0.00 0.00 0.00 0.00 46.02 46.35 2ctn n GLY 68 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2ctn h SER 69 N -1.53 0.00 0.00 1.61 4.64 -1.93 -3.48 113.55 112.86 2ctn h SER 69 Ca -0.61 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.71 2ctn h SER 69 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 2ctn h SER 69 CO 0.75 0.07 0.00 0.61 -0.87 0.00 0.00 176.83 177.39 2ctn n GLY 70 N 1.20 0.76 3.79 -0.77 0.00 -1.26 -5.05 105.19 103.86 2ctn n GLY 70 Ca -0.01 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.29 4.70 -0.10 2.61 -4.23 -1.26 -1.72 115.64 113.35 2ctn s THR 71 Ca 0.00 -0.60 -0.03 0.00 -1.18 0.00 0.00 61.69 59.88 2ctn s THR 71 Cb 0.00 -3.23 0.05 0.00 1.34 0.00 0.00 72.50 70.66 2ctn s THR 71 CO 0.00 0.21 0.09 -0.69 -0.54 0.00 0.00 174.62 173.68 2ctn s VAL 72 N -1.33 -0.12 0.00 2.29 1.01 -0.28 -4.89 120.40 117.06 2ctn s VAL 72 Ca 0.28 0.18 0.00 0.00 0.00 0.00 0.00 61.98 62.43 2ctn s VAL 72 Cb -0.12 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.91 2ctn s VAL 72 CO 0.20 -0.01 0.00 -0.67 0.00 0.00 0.00 175.10 174.61 2ctn n ASP 73 N 5.29 0.00 0.00 3.32 -0.08 -1.26 0.01 116.55 123.83 2ctn n ASP 73 Ca -0.05 0.00 0.07 0.00 -1.51 0.00 0.00 54.79 53.31 2ctn n ASP 73 Cb 0.50 0.00 0.37 0.00 2.34 0.00 0.00 41.12 44.33 2ctn n ASP 73 CO 0.00 0.00 0.00 0.33 0.12 0.00 0.00 177.20 177.65 2ctn n PHE 74 N 0.00 0.00 -0.02 -0.67 7.35 -1.26 -2.80 117.46 120.05 2ctn n PHE 74 Ca 0.00 0.00 -0.03 0.00 -0.76 0.00 0.00 57.45 56.66 2ctn n PHE 74 Cb 0.00 -0.32 -0.01 0.00 0.35 0.00 0.00 39.48 39.50 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 -1.32 0.68 -0.37 -2.13 -0.08 -1.26 -4.08 116.55 108.00 2ctn n ASP 75 Ca 0.07 0.11 0.33 0.00 -1.51 0.00 0.00 54.79 53.79 2ctn n ASP 75 Cb 0.13 -0.51 0.66 0.00 2.34 0.00 0.00 41.12 43.75 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 -0.31 0.14 0.17 -0.67 5.08 -1.91 -0.28 114.58 116.80 2ctn h GLU 76 Ca 0.00 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ctn h GLU 76 Cb 0.31 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.53 2ctn h GLU 76 CO 0.00 0.09 -0.08 0.35 -1.00 0.00 0.00 179.01 178.37 2ctn h PHE 77 N 0.14 -0.22 -1.02 4.33 3.57 -1.76 0.26 116.94 122.24 2ctn h PHE 77 Ca 0.64 -0.01 0.26 0.00 3.53 0.00 0.00 57.97 62.39 2ctn h PHE 77 Cb 2.18 0.07 -0.12 0.00 2.79 0.00 0.00 35.95 40.87 2ctn h PHE 77 CO -0.00 -0.14 0.62 -0.07 -2.23 0.00 0.00 178.31 176.50 2ctn h LEU 78 N -0.38 0.59 -0.69 0.59 3.38 -1.56 1.13 115.31 118.36 2ctn h LEU 78 Ca -0.02 0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.01 2ctn h LEU 78 Cb 0.18 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2ctn h LEU 78 CO 0.04 0.08 -0.30 0.58 0.09 0.00 0.00 178.44 178.94 2ctn h VAL 79 N 0.50 0.62 0.06 1.22 2.07 -1.07 -2.92 116.25 116.73 2ctn h VAL 79 Ca 0.64 -1.45 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 2ctn h VAL 79 Cb 1.36 1.99 0.00 0.00 -1.52 0.00 0.00 31.29 33.12 2ctn h VAL 79 CO -0.42 0.29 -0.03 -0.03 0.02 0.00 0.00 177.57 177.40 2ctn h MET 80 N 0.00 -0.08 -0.14 1.57 4.05 0.49 -3.03 114.93 117.80 2ctn h MET 80 Ca -0.00 0.01 -0.10 0.00 -0.28 0.00 0.00 59.70 59.32 2ctn h MET 80 Cb 0.96 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.77 2ctn h MET 80 CO 0.04 0.18 -0.37 0.00 0.23 0.00 0.00 176.91 176.99 2ctn h MET 81 N -0.34 0.29 -1.23 0.39 3.00 -1.49 -2.09 114.93 113.46 2ctn h MET 81 Ca -0.01 -0.13 0.36 0.00 0.00 0.00 0.00 59.70 59.92 2ctn h MET 81 Cb 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 31.60 31.80 2ctn h MET 81 CO 0.01 0.62 0.83 0.28 0.00 0.00 0.00 176.91 178.66 2ctn h VAL 82 N 0.25 0.33 0.00 -0.10 2.07 -1.39 2.41 116.25 119.82 2ctn h VAL 82 Ca 0.03 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2ctn h VAL 82 Cb 0.77 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 2ctn h VAL 82 CO 0.06 0.03 -1.57 0.54 0.02 0.00 0.00 177.57 176.65 2ctn n ARG 83 N -4.48 0.48 0.05 1.57 1.74 -1.01 -3.61 116.66 111.40 2ctn n ARG 83 Ca 0.30 -0.10 0.07 0.00 -0.77 0.00 0.00 57.85 57.35 2ctn n ARG 83 Cb 1.23 -1.56 -0.06 0.00 -1.02 0.00 0.00 32.46 31.05 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 2ctn n SER 84 N -2.12 0.68 0.00 0.55 2.88 0.34 -4.57 113.62 111.38 2ctn n SER 84 Ca -0.01 0.28 0.00 0.00 -1.33 0.00 0.00 58.87 57.81 2ctn n SER 84 Cb 0.50 0.62 0.00 0.00 -0.75 0.00 0.00 64.21 64.59 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 -2.68 0.00 0.03 -1.46 2.81 0.73 -4.96 117.12 111.59 2ctn n MET 85 Ca -0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.84 2ctn n MET 85 Cb 0.68 -0.47 0.00 0.00 -0.71 0.00 0.00 33.22 32.72 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 0.00 0.00 -0.01 0.03 0.00 -1.26 -4.97 118.16 111.95 2ctn n LYS 86 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 58.31 58.41 2ctn n LYS 86 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 34.88 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2ctn n ASP 87 N -2.43 0.43 -0.14 3.14 5.68 -1.26 -4.33 116.55 117.64 2ctn n ASP 87 Ca 0.00 -0.04 0.28 0.00 -0.50 0.00 0.00 54.79 54.53 2ctn n ASP 87 Cb 0.00 1.88 0.70 0.00 -1.14 0.00 0.00 41.12 42.56 2ctn n ASP 87 CO 0.00 0.00 0.00 0.44 -1.33 0.00 0.00 177.20 176.31 2ctn h ASP 88 N 0.00 0.00 0.00 -1.12 5.19 -1.93 -3.52 116.42 115.04 2ctn h ASP 88 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2ctn h ASP 88 Cb 0.90 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.41 2ctn h ASP 88 CO 0.00 0.00 0.00 -0.24 -3.12 0.00 0.00 179.24 175.88