#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 -3.50 0.00 0.00 8.00 -1.26 -4.54 116.55 115.25 2ctn n ASP 3 Ca 0.00 0.36 0.00 0.00 0.71 0.00 0.00 54.79 55.86 2ctn n ASP 3 Cb 0.00 -1.12 0.00 0.00 -0.02 0.00 0.00 41.12 39.98 2ctn n ASP 3 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2ctn n ILE 4 N -1.60 0.00 0.13 0.53 5.41 -1.26 -3.59 119.36 118.97 2ctn n ILE 4 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.76 2ctn n ILE 4 Cb 0.15 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.08 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 0.00 -0.54 1.39 0.05 -1.95 -3.30 116.97 112.61 2ctn h TYR 5 Ca 0.00 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.82 2ctn h TYR 5 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2ctn h TYR 5 CO 0.00 0.57 0.30 -0.22 -1.05 0.00 0.00 178.16 177.76 2ctn h LYS 6 N 0.00 0.57 -0.75 4.88 3.11 -1.90 -0.85 116.57 121.63 2ctn h LYS 6 Ca -0.01 -0.03 0.19 0.00 -2.81 0.00 0.00 60.65 57.99 2ctn h LYS 6 Cb 1.44 -0.13 -0.04 0.00 -1.00 0.00 0.00 32.23 32.50 2ctn h LYS 6 CO 0.07 0.38 0.52 0.00 -2.81 0.00 0.00 179.45 177.62 2ctn h ALA 7 N 1.27 2.47 -0.00 5.00 0.00 -1.89 0.20 119.26 126.31 2ctn h ALA 7 Ca 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 2ctn h ALA 7 Cb 0.09 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2ctn h ALA 7 CO -0.13 -0.69 -0.08 0.00 0.00 0.00 0.00 179.25 178.35 2ctn h ALA 8 N 1.64 0.01 0.00 0.00 0.00 -1.34 -3.15 119.26 116.42 2ctn h ALA 8 Ca 0.37 -0.41 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2ctn h ALA 8 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2ctn h ALA 8 CO -0.06 -0.05 -0.11 0.28 0.00 0.00 0.00 179.25 179.31 2ctn h VAL 9 N -0.69 0.51 0.00 0.00 2.07 -0.74 -1.75 116.25 115.65 2ctn h VAL 9 Ca -0.01 -0.52 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 2ctn h VAL 9 Cb 0.85 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.96 2ctn h VAL 9 CO 0.02 0.11 -0.28 -0.08 0.02 0.00 0.00 177.57 177.35 2ctn h GLU 10 N 0.00 0.00 -0.01 1.57 4.81 -0.65 -2.62 114.58 117.69 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 0.34 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.72 2ctn h GLU 10 CO 0.01 0.28 -0.21 1.04 -0.73 0.00 0.00 179.01 179.40 2ctn n GLN 11 N -3.44 0.82 -1.15 1.92 6.02 -0.66 -4.93 117.38 115.96 2ctn n GLN 11 Ca 0.00 -0.44 -0.36 0.00 -0.01 0.00 0.00 57.00 56.19 2ctn n GLN 11 Cb 0.46 -1.49 0.08 0.00 1.02 0.00 0.00 30.24 30.31 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 -0.70 -0.02 -4.87 1.08 4.77 -0.99 -4.97 117.00 111.30 2ctn n LEU 12 Ca 0.13 0.51 -0.27 0.00 -0.03 0.00 0.00 56.01 56.35 2ctn n LEU 12 Cb 0.33 -1.17 -0.04 0.00 -2.33 0.00 0.00 43.42 40.21 2ctn n LEU 12 CO 0.25 -3.48 -0.17 0.42 -1.33 0.00 0.00 177.39 173.08 2ctn s THR 13 N -2.02 4.93 0.60 -5.08 -4.23 -1.26 -4.94 115.64 103.65 2ctn s THR 13 Ca 0.62 -0.79 0.28 0.00 -1.18 0.00 0.00 61.69 60.61 2ctn s THR 13 Cb -0.32 -3.49 0.39 0.00 1.34 0.00 0.00 72.50 70.42 2ctn s THR 13 CO 0.62 -0.03 1.53 1.05 -0.54 0.00 0.00 174.62 177.25 2ctn h GLU 14 N 2.53 0.00 -0.01 3.99 4.11 -1.99 1.23 114.58 124.43 2ctn h GLU 14 Ca -0.47 0.00 -0.18 0.00 0.07 0.00 0.00 59.36 58.78 2ctn h GLU 14 Cb 1.19 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2ctn h GLU 14 CO 0.67 0.00 -0.80 0.93 0.07 0.00 0.00 179.01 179.88 2ctn h GLU 15 N 0.00 0.16 0.02 1.06 4.39 -1.99 -1.63 114.58 116.60 2ctn h GLU 15 Ca 0.39 -0.16 -0.20 0.00 0.34 0.00 0.00 59.36 59.73 2ctn h GLU 15 Cb 2.27 0.04 0.02 0.00 -0.10 0.00 0.00 28.75 30.98 2ctn h GLU 15 CO -0.00 0.88 -0.78 1.96 -1.16 0.00 0.00 179.01 179.90 2ctn h GLN 16 N 0.10 0.49 0.25 2.33 1.08 0.12 -3.17 115.11 116.30 2ctn h GLN 16 Ca -0.03 -0.56 -0.01 0.00 -1.45 0.00 0.00 58.65 56.60 2ctn h GLN 16 Cb 1.40 0.17 0.00 0.00 -0.05 0.00 0.00 27.48 29.00 2ctn h GLN 16 CO 0.12 1.20 -0.12 0.87 -0.95 0.00 0.00 178.83 179.94 2ctn h LYS 17 N 0.02 -0.32 -1.18 1.46 1.57 -1.50 -2.04 116.57 114.58 2ctn h LYS 17 Ca -0.11 0.02 0.37 0.00 -1.87 0.00 0.00 60.65 59.07 2ctn h LYS 17 Cb 1.49 0.07 -0.13 0.00 0.08 0.00 0.00 32.23 33.75 2ctn h LYS 17 CO 0.15 0.04 0.74 -0.91 -0.57 0.00 0.00 179.45 178.90 2ctn h ASN 18 N -0.84 0.34 -0.01 0.86 2.35 -1.44 0.24 115.58 117.09 2ctn h ASN 18 Ca -0.03 0.14 -0.05 0.00 -0.55 0.00 0.00 56.30 55.81 2ctn h ASN 18 Cb 0.51 0.11 0.00 0.00 0.05 0.00 0.00 38.32 39.00 2ctn h ASN 18 CO 0.06 -0.13 -0.18 -0.33 -1.65 0.00 0.00 177.43 175.19 2ctn h GLU 19 N 0.19 0.14 0.94 0.81 5.08 -1.51 -2.85 114.58 117.38 2ctn h GLU 19 Ca 0.76 -0.14 -0.05 0.00 -1.00 0.00 0.00 59.36 58.93 2ctn h GLU 19 Cb 2.15 0.04 0.01 0.00 0.50 0.00 0.00 28.75 31.44 2ctn h GLU 19 CO -0.45 0.87 -0.45 0.74 -1.00 0.00 0.00 179.01 178.72 2ctn h PHE 20 N -0.54 -1.17 -0.92 4.33 0.04 0.08 0.63 116.94 119.38 2ctn h PHE 20 Ca -0.02 -0.03 0.25 0.00 2.80 0.00 0.00 57.97 60.97 2ctn h PHE 20 Cb 0.92 0.39 -0.13 0.00 2.20 0.00 0.00 35.95 39.33 2ctn h PHE 20 CO 0.18 -0.73 0.40 0.87 -0.60 0.00 0.00 178.31 178.43 2ctn h LYS 21 N -1.33 0.33 0.31 1.51 6.56 -0.83 0.44 116.57 123.56 2ctn h LYS 21 Ca -0.13 -0.02 -0.02 0.00 -1.06 0.00 0.00 60.65 59.43 2ctn h LYS 21 Cb 0.97 -0.08 0.00 0.00 -0.57 0.00 0.00 32.23 32.56 2ctn h LYS 21 CO 0.21 0.22 -0.15 0.00 -2.06 0.00 0.00 179.45 177.67 2ctn h ALA 22 N 1.76 -0.42 -0.51 3.86 0.00 -1.25 -3.00 119.26 119.71 2ctn h ALA 22 Ca 0.60 -0.13 0.10 0.00 0.00 0.00 0.00 54.91 55.49 2ctn h ALA 22 Cb 1.23 0.16 -0.10 0.00 0.00 0.00 0.00 17.79 19.08 2ctn h ALA 22 CO -0.58 -0.41 -0.20 0.00 0.00 0.00 0.00 179.25 178.06 2ctn h ALA 23 N -0.97 0.20 -0.52 0.00 0.00 0.96 0.81 119.26 119.74 2ctn h ALA 23 Ca -0.04 0.18 0.10 0.00 0.00 0.00 0.00 54.91 55.15 2ctn h ALA 23 Cb 0.39 0.51 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 2ctn h ALA 23 CO 0.07 -0.52 -0.25 0.35 0.00 0.00 0.00 179.25 178.90 2ctn h PHE 24 N -0.08 -0.64 -0.27 0.00 3.04 -0.24 0.39 116.94 119.14 2ctn h PHE 24 Ca 0.24 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.24 2ctn h PHE 24 Cb 0.45 0.36 -0.01 0.00 2.56 0.00 0.00 35.95 39.31 2ctn h PHE 24 CO -0.49 -0.33 0.15 -0.44 -2.02 0.00 0.00 178.31 175.18 2ctn h ASP 25 N -0.12 0.34 -0.01 0.41 3.32 -0.97 1.07 116.42 120.46 2ctn h ASP 25 Ca 0.24 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2ctn h ASP 25 Cb 0.50 -0.09 -0.00 0.00 0.22 0.00 0.00 39.33 39.96 2ctn h ASP 25 CO -0.60 0.34 0.01 0.40 -1.72 0.00 0.00 179.24 177.66 2ctn h ILE 26 N 0.33 0.77 0.03 0.35 2.04 0.68 -0.09 117.51 121.61 2ctn h ILE 26 Ca 0.10 0.00 -0.33 0.00 1.00 0.00 0.00 64.86 65.62 2ctn h ILE 26 Cb 0.07 1.00 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 2ctn h ILE 26 CO -0.02 0.00 -1.98 0.49 0.00 0.00 0.00 178.15 176.65 2ctn n PHE 27 N -4.20 0.76 0.85 1.37 3.72 0.12 -3.98 117.46 116.10 2ctn n PHE 27 Ca -0.03 0.24 0.12 0.00 -0.05 0.00 0.00 57.45 57.73 2ctn n PHE 27 Cb 0.09 -1.13 0.53 0.00 -0.94 0.00 0.00 39.48 38.04 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 -3.09 0.28 -0.23 -4.37 0.31 0.36 -3.45 118.33 108.16 2ctn n VAL 28 Ca -0.26 0.05 0.29 0.00 -0.01 0.00 0.00 64.34 64.42 2ctn n VAL 28 Cb 1.07 -0.64 0.70 0.00 -0.91 0.00 0.00 33.84 34.07 2ctn n VAL 28 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2ctn h LEU 29 N 0.00 0.05 -1.49 7.52 5.85 -1.16 0.51 115.31 126.60 2ctn h LEU 29 Ca 0.00 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2ctn h LEU 29 Cb 0.45 -0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2ctn h LEU 29 CO 0.00 0.02 -0.03 0.61 -0.34 0.00 0.00 178.44 178.70 2ctn n GLY 30 N -1.70 0.01 1.17 3.75 0.00 -1.22 -5.01 105.19 102.19 2ctn n GLY 30 Ca 0.21 -0.42 -0.07 0.00 0.00 0.00 0.00 46.02 45.74 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 0.72 -1.20 -0.06 4.61 0.00 0.18 -4.97 120.51 119.79 2ctn n ALA 31 Ca 0.08 -0.35 -0.07 0.00 0.00 0.00 0.00 53.44 53.10 2ctn n ALA 31 Cb 0.36 -0.03 -0.07 0.00 0.00 0.00 0.00 19.45 19.71 2ctn n ALA 31 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ctn n GLU 32 N -1.55 1.11 -1.10 0.00 1.02 -1.26 -4.75 120.64 114.12 2ctn n GLU 32 Ca 0.03 0.04 0.04 0.00 -0.02 0.00 0.00 57.16 57.26 2ctn n GLU 32 Cb 0.14 -1.26 0.06 0.00 -0.02 0.00 0.00 31.44 30.36 2ctn n GLU 32 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2ctn n ASP 33 N -2.68 1.06 -1.23 1.62 5.75 -1.26 -4.98 116.55 114.83 2ctn n ASP 33 Ca -0.20 -2.44 -0.00 0.00 -0.01 0.00 0.00 54.79 52.14 2ctn n ASP 33 Cb 0.77 -0.34 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 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 0.00 0.61 3.14 6.12 0.00 -1.26 -5.07 105.19 108.72 2ctn n GLY 34 Ca 0.08 -0.39 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2ctn n GLY 34 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ctn n SER 35 N -1.22 -1.73 -3.70 1.61 3.41 -1.26 -4.88 113.62 105.84 2ctn n SER 35 Ca -0.00 -2.46 -0.27 0.00 -0.26 0.00 0.00 58.87 55.87 2ctn n SER 35 Cb 0.50 2.95 -0.16 0.00 -0.26 0.00 0.00 64.21 67.24 2ctn n SER 35 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2ctn s ILE 36 N -2.40 0.39 0.42 -1.33 1.01 0.52 -4.58 121.20 115.22 2ctn s ILE 36 Ca 0.17 -0.51 -0.16 0.00 0.00 0.00 0.00 60.65 60.16 2ctn s ILE 36 Cb -0.03 -0.95 -0.09 0.00 0.01 0.00 0.00 42.46 41.40 2ctn s ILE 36 CO 0.13 -0.25 0.87 -0.44 0.00 0.00 0.00 174.94 175.25 2ctn s SER 37 N 1.92 6.74 0.62 3.58 0.01 -1.26 0.19 113.70 125.49 2ctn s SER 37 Ca 0.00 1.45 0.24 0.00 1.31 0.00 0.00 55.95 58.95 2ctn s SER 37 Cb -0.17 -2.45 0.95 0.00 0.21 0.00 0.00 66.02 64.57 2ctn s SER 37 CO -0.09 -0.39 1.42 0.00 0.41 0.00 0.00 173.24 174.59 2ctn h THR 38 N 1.51 0.07 0.00 1.44 1.03 -1.81 2.73 112.91 117.88 2ctn h THR 38 Ca -0.48 0.00 -0.18 0.00 -0.01 0.00 0.00 66.41 65.74 2ctn h THR 38 Cb 1.18 0.17 -0.03 0.00 -1.07 0.00 0.00 68.15 68.40 2ctn h THR 38 CO 0.63 0.00 -1.00 0.50 -0.01 0.00 0.00 175.52 175.64 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 3.11 -1.90 -2.98 116.57 114.80 2ctn h LYS 39 Ca 0.34 0.00 -0.04 0.00 -2.81 0.00 0.00 60.65 58.14 2ctn h LYS 39 Cb 2.30 0.00 -0.01 0.00 -1.00 0.00 0.00 32.23 33.52 2ctn h LYS 39 CO -0.00 0.68 -1.66 -1.91 -2.81 0.00 0.00 179.45 173.74 2ctn n GLU 40 N -3.21 0.68 0.07 1.90 4.07 0.64 -4.49 120.64 120.31 2ctn n GLU 40 Ca -0.03 -0.10 -0.10 0.00 -0.06 0.00 0.00 57.16 56.87 2ctn n GLU 40 Cb 0.88 -1.32 -0.13 0.00 -0.06 0.00 0.00 31.44 30.81 2ctn n GLU 40 CO 0.00 0.00 0.00 1.25 -0.06 0.00 0.00 177.13 178.32 2ctn h LEU 41 N 0.00 0.14 -1.42 4.31 7.12 0.37 -3.25 115.31 122.58 2ctn h LEU 41 Ca -0.06 -0.15 0.11 0.00 0.13 0.00 0.00 57.88 57.91 2ctn h LEU 41 Cb 0.82 -0.05 -0.02 0.00 -0.53 0.00 0.00 40.66 40.89 2ctn h LEU 41 CO 0.00 1.12 0.70 1.23 -0.13 0.00 0.00 178.44 181.37 2ctn h GLY 42 N 2.55 0.00 2.00 3.75 0.00 -1.67 1.13 103.07 110.83 2ctn h GLY 42 Ca -0.06 0.00 -0.05 0.00 0.00 0.00 0.00 47.33 47.23 2ctn h GLY 42 CO 0.15 0.00 -0.22 1.70 0.00 0.00 0.00 176.54 178.17 2ctn h LYS 43 N 0.00 0.00 0.00 4.80 3.64 -1.85 -3.23 116.57 119.93 2ctn h LYS 43 Ca 0.19 0.00 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2ctn h LYS 43 Cb 1.59 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.40 2ctn h LYS 43 CO -0.00 0.22 -0.82 0.28 -2.27 0.00 0.00 179.45 176.86 2ctn h VAL 44 N 0.00 0.31 0.04 2.00 2.07 0.11 -3.14 116.25 117.64 2ctn h VAL 44 Ca -0.00 -1.51 -0.22 0.00 0.82 0.00 0.00 66.70 65.79 2ctn h VAL 44 Cb 1.16 1.92 0.02 0.00 -1.52 0.00 0.00 31.29 32.88 2ctn h VAL 44 CO 0.03 0.17 -0.88 0.24 0.02 0.00 0.00 177.57 177.16 2ctn h MET 45 N 0.00 0.52 0.00 1.57 2.86 -1.53 -3.20 114.93 115.15 2ctn h MET 45 Ca -0.04 -0.62 0.00 0.00 -2.06 0.00 0.00 59.70 56.98 2ctn h MET 45 Cb 1.24 0.19 0.00 0.00 0.06 0.00 0.00 31.60 33.08 2ctn h MET 45 CO 0.03 1.24 0.00 -0.09 1.06 0.00 0.00 176.91 179.14 2ctn h ARG 46 N 0.07 0.00 0.00 1.72 2.43 -1.69 -2.96 114.38 113.95 2ctn h ARG 46 Ca -0.12 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.90 2ctn h ARG 46 Cb 1.58 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.11 2ctn h ARG 46 CO 0.17 0.00 -0.69 0.00 -1.51 0.00 0.00 179.97 177.94 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.57 -3.41 114.93 110.15 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 0.75 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.35 2ctn h MET 47 CO 0.00 0.69 0.00 1.28 -0.00 0.00 0.00 176.91 178.88 2ctn n LEU 48 N -3.45 0.00 -0.99 -0.10 4.77 -1.19 -4.95 117.00 111.09 2ctn n LEU 48 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.96 2ctn n LEU 48 Cb 0.75 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.81 2ctn n LEU 48 CO 0.43 0.00 0.25 0.61 -1.33 0.00 0.00 177.39 177.35 2ctn n GLY 49 N 3.00 0.71 3.57 -0.72 0.00 -1.25 -5.12 105.19 105.38 2ctn n GLY 49 Ca 0.00 -0.21 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 2.07 -0.31 1.61 1.11 -1.12 -5.05 119.66 117.96 2ctn s GLN 50 Ca 0.08 -1.26 0.18 0.00 0.01 0.00 0.00 55.36 54.37 2ctn s GLN 50 Cb 0.10 -2.16 0.46 0.00 -1.01 0.00 0.00 33.01 30.40 2ctn s GLN 50 CO -0.04 0.44 1.07 -1.71 0.01 0.00 0.00 175.29 175.06 2ctn n ASN 51 N 0.04 0.95 -2.90 5.90 5.15 -1.26 -4.05 115.26 119.09 2ctn n ASN 51 Ca -0.11 -2.46 0.00 0.00 -0.60 0.00 0.00 54.58 51.41 2ctn n ASN 51 Cb 0.55 -0.28 0.00 0.00 -0.53 0.00 0.00 39.78 39.53 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 -0.35 0.07 -3.60 1.20 -0.04 -1.26 -5.07 135.00 125.94 2ctn n PRO 52 Ca 0.06 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.31 2ctn n PRO 52 Cb 0.82 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 34.25 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 -0.51 2.83 0.23 0.52 -4.23 -1.26 -5.02 115.64 108.19 2ctn s THR 53 Ca 0.00 -1.35 0.08 0.00 -1.18 0.00 0.00 61.69 59.25 2ctn s THR 53 Cb 0.00 -3.03 -0.07 0.00 1.34 0.00 0.00 72.50 70.73 2ctn s THR 53 CO 0.00 -0.03 1.52 1.55 -0.54 0.00 0.00 174.62 177.12 2ctn h PRO 54 N 1.07 0.05 -0.08 3.99 0.13 -2.00 -3.25 132.00 131.91 2ctn h PRO 54 Ca -0.42 -0.04 -0.17 0.00 -0.87 0.00 0.00 66.00 64.50 2ctn h PRO 54 Cb 1.26 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.41 2ctn h PRO 54 CO 0.57 0.74 -0.62 1.49 -0.23 0.00 0.00 178.00 179.95 2ctn h GLU 55 N 0.03 0.56 -0.95 0.86 4.81 -2.01 -3.19 114.58 114.69 2ctn h GLU 55 Ca -0.01 -0.50 0.17 0.00 -0.13 0.00 0.00 59.36 58.89 2ctn h GLU 55 Cb 1.26 0.12 -0.08 0.00 0.63 0.00 0.00 28.75 30.67 2ctn h GLU 55 CO 0.10 1.12 0.60 1.49 -0.73 0.00 0.00 179.01 181.59 2ctn h GLU 56 N 0.16 0.67 0.31 1.92 4.81 -1.97 -2.62 114.58 117.86 2ctn h GLU 56 Ca -0.06 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.12 2ctn h GLU 56 Cb 1.28 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 30.50 2ctn h GLU 56 CO 0.13 0.44 -0.28 -0.07 -0.73 0.00 0.00 179.01 178.50 2ctn h LEU 57 N 0.69 -0.75 -0.99 1.64 3.38 -1.58 0.90 115.31 118.61 2ctn h LEU 57 Ca 0.50 0.06 0.35 0.00 0.09 0.00 0.00 57.88 58.88 2ctn h LEU 57 Cb 0.85 0.24 -0.17 0.00 0.09 0.00 0.00 40.66 41.68 2ctn h LEU 57 CO -0.26 -0.37 0.46 -0.61 0.09 0.00 0.00 178.44 177.74 2ctn h GLN 58 N -0.57 0.13 0.00 1.13 5.75 -1.56 1.26 115.11 121.25 2ctn h GLN 58 Ca -0.04 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.31 2ctn h GLN 58 Cb 0.49 -0.03 -0.02 0.00 1.07 0.00 0.00 27.48 28.99 2ctn h GLN 58 CO -0.02 0.09 -0.69 0.93 -2.65 0.00 0.00 178.83 176.49 2ctn h GLU 59 N 0.13 0.00 0.35 1.69 5.08 -1.22 -2.79 114.58 117.83 2ctn h GLU 59 Ca 0.75 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 59.09 2ctn h GLU 59 Cb 1.82 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.07 2ctn h GLU 59 CO -0.72 0.69 -0.17 0.52 -1.00 0.00 0.00 179.01 178.33 2ctn h MET 60 N 0.00 -0.46 -0.49 2.33 2.86 0.91 -2.85 114.93 117.24 2ctn h MET 60 Ca -0.01 0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.60 2ctn h MET 60 Cb 1.52 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 33.27 2ctn h MET 60 CO 0.09 -0.14 0.04 0.82 1.06 0.00 0.00 176.91 178.79 2ctn h ILE 61 N -0.82 1.26 0.00 -1.22 5.03 -1.38 -1.54 117.51 118.83 2ctn h ILE 61 Ca -0.05 -1.00 0.00 0.00 -0.12 0.00 0.00 64.86 63.70 2ctn h ILE 61 Cb 0.53 0.93 0.00 0.00 -3.03 0.00 0.00 36.82 35.25 2ctn h ILE 61 CO 0.08 0.35 0.20 -0.78 -0.68 0.00 0.00 178.15 177.33 2ctn h ASP 62 N 0.71 0.00 0.00 1.72 1.82 -1.53 0.84 116.42 119.98 2ctn h ASP 62 Ca 0.15 0.00 -0.29 0.00 -0.39 0.00 0.00 57.03 56.49 2ctn h ASP 62 Cb 0.45 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 40.42 2ctn h ASP 62 CO 0.02 0.00 -1.84 1.21 -1.61 0.00 0.00 179.24 177.01 2ctn n GLU 63 N -2.92 0.56 0.01 0.28 0.00 -0.87 -4.54 120.64 113.16 2ctn n GLU 63 Ca -0.02 0.33 -0.12 0.00 0.00 0.00 0.00 57.16 57.34 2ctn n GLU 63 Cb 0.26 -1.54 0.00 0.00 0.00 0.00 0.00 31.44 30.16 2ctn n GLU 63 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.13 176.74 2ctn h VAL 64 N -1.00 1.32 -2.07 6.31 -1.51 -1.06 -3.43 116.25 114.81 2ctn h VAL 64 Ca -0.44 -1.96 -0.58 0.00 -1.23 0.00 0.00 66.70 62.49 2ctn h VAL 64 Cb 1.35 1.93 0.01 0.00 -2.13 0.00 0.00 31.29 32.45 2ctn h VAL 64 CO -0.27 0.61 1.35 -0.67 -1.23 0.00 0.00 177.57 177.37 2ctn n ASP 65 N -3.91 3.56 0.07 4.19 -0.08 0.29 -4.70 116.55 115.96 2ctn n ASP 65 Ca -0.05 0.55 0.09 0.00 -1.51 0.00 0.00 54.79 53.87 2ctn n ASP 65 Cb 0.68 -1.51 0.38 0.00 2.34 0.00 0.00 41.12 43.01 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 8.06 0.09 -0.00 -0.67 0.28 -1.26 -2.24 120.64 124.90 2ctn n GLU 66 Ca 0.26 0.38 0.01 0.00 -0.16 0.00 0.00 57.16 57.65 2ctn n GLU 66 Cb 0.40 -1.69 0.01 0.00 1.43 0.00 0.00 31.44 31.59 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 -1.87 1.29 -4.26 -1.84 5.75 -1.26 -4.99 116.55 109.36 2ctn n ASP 67 Ca 0.02 -1.22 -0.34 0.00 -0.01 0.00 0.00 54.79 53.24 2ctn n ASP 67 Cb 0.17 -0.00 -0.06 0.00 -1.03 0.00 0.00 41.12 40.19 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 -0.29 0.10 6.12 0.00 -0.95 -4.79 105.19 105.38 2ctn n GLY 68 Ca 0.01 0.14 0.12 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.90 -3.47 113.55 112.90 2ctn h SER 69 Ca -0.62 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.59 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 0.05 0.00 0.61 -0.87 0.00 0.00 176.83 177.37 2ctn n GLY 70 N 1.29 0.70 3.50 -0.77 0.00 -1.26 -5.02 105.19 103.62 2ctn n GLY 70 Ca 0.04 0.00 -0.30 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 -2.65 2.95 -0.10 2.61 -4.23 -1.26 -2.23 115.64 110.72 2ctn s THR 71 Ca 0.00 -1.41 0.01 0.00 -1.18 0.00 0.00 61.69 59.11 2ctn s THR 71 Cb 0.00 -2.35 0.02 0.00 1.34 0.00 0.00 72.50 71.51 2ctn s THR 71 CO 0.00 0.13 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.42 2ctn s VAL 72 N -1.13 1.14 0.00 2.29 1.01 0.13 -4.92 120.40 118.92 2ctn s VAL 72 Ca 0.18 -0.40 0.00 0.00 0.00 0.00 0.00 61.98 61.76 2ctn s VAL 72 Cb -0.11 -1.10 0.00 0.00 0.00 0.00 0.00 36.38 35.18 2ctn s VAL 72 CO 0.10 0.38 0.00 -0.90 0.00 0.00 0.00 175.10 174.68 2ctn n ASP 73 N 4.49 0.45 0.29 3.32 5.68 -1.26 -0.36 116.55 129.17 2ctn n ASP 73 Ca -0.17 -0.43 0.18 0.00 -0.50 0.00 0.00 54.79 53.88 2ctn n ASP 73 Cb 0.51 0.00 0.94 0.00 -1.14 0.00 0.00 41.12 41.43 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 0.10 0.00 0.00 2.11 3.57 -2.00 -0.83 116.94 119.88 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 -0.12 -0.44 -2.23 0.00 0.00 178.31 175.52 2ctn h ASP 75 N 0.00 0.00 -0.70 0.41 3.32 -2.00 -3.30 116.42 114.15 2ctn h ASP 75 Ca 0.03 0.00 0.20 0.00 0.02 0.00 0.00 57.03 57.28 2ctn h ASP 75 Cb 0.44 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 2ctn h ASP 75 CO -0.00 0.19 0.74 -0.33 -1.72 0.00 0.00 179.24 178.12 2ctn h GLU 76 N -0.26 0.00 0.01 3.56 5.08 -1.89 0.40 114.58 121.48 2ctn h GLU 76 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2ctn h GLU 76 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2ctn h GLU 76 CO 0.00 0.00 -0.01 0.35 -1.00 0.00 0.00 179.01 178.35 2ctn h PHE 77 N 0.00 -0.01 -0.07 4.33 3.57 -1.31 0.61 116.94 124.06 2ctn h PHE 77 Ca 0.33 -0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.71 2ctn h PHE 77 Cb 1.81 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.54 2ctn h PHE 77 CO 0.00 0.43 -0.49 -0.07 -2.23 0.00 0.00 178.31 175.95 2ctn h LEU 78 N -0.46 0.20 0.19 0.59 3.38 -1.04 -2.14 115.31 116.03 2ctn h LEU 78 Ca -0.00 -0.10 -0.32 0.00 0.09 0.00 0.00 57.88 57.55 2ctn h LEU 78 Cb 0.45 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 41.16 2ctn h LEU 78 CO 0.00 0.66 -1.48 0.58 0.09 0.00 0.00 178.44 178.29 2ctn h VAL 79 N 0.15 1.25 -0.42 1.22 2.07 -1.28 -3.04 116.25 116.20 2ctn h VAL 79 Ca 0.01 -2.77 -0.10 0.00 0.82 0.00 0.00 66.70 64.66 2ctn h VAL 79 Cb 0.92 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 2ctn h VAL 79 CO 0.07 0.84 -0.13 -0.03 0.02 0.00 0.00 177.57 178.34 2ctn h MET 80 N 0.11 0.76 -0.25 1.57 1.85 0.27 -3.00 114.93 116.24 2ctn h MET 80 Ca -0.24 -0.26 -0.17 0.00 -0.61 0.00 0.00 59.70 58.42 2ctn h MET 80 Cb 2.09 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 34.06 2ctn h MET 80 CO 0.22 0.86 -0.54 0.00 -0.40 0.00 0.00 176.91 177.06 2ctn h MET 81 N 0.68 0.73 -0.67 0.39 3.00 -1.48 -2.87 114.93 114.71 2ctn h MET 81 Ca 0.11 -0.45 0.13 0.00 0.00 0.00 0.00 59.70 59.49 2ctn h MET 81 Cb 0.61 0.05 -0.13 0.00 0.00 0.00 0.00 31.60 32.14 2ctn h MET 81 CO 0.04 1.08 -0.26 0.28 0.00 0.00 0.00 176.91 178.05 2ctn h VAL 82 N 0.56 0.22 0.00 -0.10 2.07 -1.40 1.06 116.25 118.66 2ctn h VAL 82 Ca 0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.50 2ctn h VAL 82 Cb 1.11 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.09 2ctn h VAL 82 CO 0.11 0.00 -0.19 0.03 0.02 0.00 0.00 177.57 177.54 2ctn h ARG 83 N -0.08 0.00 -0.01 1.57 3.08 -1.60 -2.19 114.38 115.15 2ctn h ARG 83 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2ctn h ARG 83 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2ctn h ARG 83 CO -0.72 0.19 -0.02 0.45 -1.07 0.00 0.00 179.97 178.79 2ctn n SER 84 N -3.41 0.83 0.00 7.04 2.88 0.33 -4.34 113.62 116.95 2ctn n SER 84 Ca -0.00 -1.18 0.00 0.00 -1.33 0.00 0.00 58.87 56.35 2ctn n SER 84 Cb 0.38 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.84 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 -0.41 0.00 -1.36 -1.46 2.81 0.10 -4.92 117.12 111.88 2ctn n MET 85 Ca 0.20 0.23 -0.12 0.00 -1.81 0.00 0.00 57.70 56.20 2ctn n MET 85 Cb 0.26 -0.69 -0.05 0.00 -0.71 0.00 0.00 33.22 32.03 2ctn n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2ctn n LYS 86 N -1.91 -1.35 -0.12 0.03 4.01 -1.25 -4.84 118.16 112.74 2ctn n LYS 86 Ca 0.00 0.91 -0.25 0.00 -0.51 0.00 0.00 58.31 58.47 2ctn n LYS 86 Cb 0.00 -5.16 -0.10 0.00 -0.51 0.00 0.00 35.03 29.26 2ctn n LYS 86 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2ctn n ASP 87 N -0.82 1.91 -0.60 4.39 -0.08 -1.26 -4.54 116.55 115.53 2ctn n ASP 87 Ca -0.12 0.39 0.06 0.00 -1.51 0.00 0.00 54.79 53.60 2ctn n ASP 87 Cb 0.53 -0.89 0.15 0.00 2.34 0.00 0.00 41.12 43.25 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2ctn n ASP 88 N -4.36 2.98 0.00 1.67 -0.08 -1.26 -5.31 116.55 110.19 2ctn n ASP 88 Ca -0.41 -2.19 0.00 0.00 -1.51 0.00 0.00 54.79 50.67 2ctn n ASP 88 Cb 0.76 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.95 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08