#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 -2.28 0.00 0.00 8.00 -1.26 -4.94 116.55 116.08 2ctn n ASP 3 Ca 0.00 0.41 0.00 0.00 0.71 0.00 0.00 54.79 55.91 2ctn n ASP 3 Cb 0.00 -1.15 0.00 0.00 -0.02 0.00 0.00 41.12 39.95 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 -3.02 0.00 -0.02 0.53 -0.00 -1.26 -4.91 119.36 110.68 2ctn n ILE 4 Ca 0.07 0.00 -0.20 0.00 -0.00 0.00 0.00 62.75 62.62 2ctn n ILE 4 Cb 0.52 -0.29 -0.14 0.00 -0.00 0.00 0.00 39.64 39.74 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 -2.07 1.06 -0.32 1.39 4.01 -1.26 -4.11 117.16 115.85 2ctn n TYR 5 Ca 0.00 0.24 0.19 0.00 -0.16 0.00 0.00 57.90 58.17 2ctn n TYR 5 Cb 0.00 -1.14 0.40 0.00 -0.31 0.00 0.00 39.34 38.29 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 0.06 0.33 -0.55 -0.72 3.11 -1.91 0.53 116.57 117.41 2ctn h LYS 6 Ca -0.44 -0.02 -0.09 0.00 -2.81 0.00 0.00 60.65 57.30 2ctn h LYS 6 Cb 2.02 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 33.15 2ctn h LYS 6 CO 0.06 0.22 -0.00 0.00 -2.81 0.00 0.00 179.45 176.92 2ctn h ALA 7 N 1.81 0.95 -0.50 5.00 0.00 -1.92 -2.92 119.26 121.68 2ctn h ALA 7 Ca 0.66 -0.29 -0.13 0.00 0.00 0.00 0.00 54.91 55.15 2ctn h ALA 7 Cb 1.43 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2ctn h ALA 7 CO -0.60 0.63 -0.19 0.00 0.00 0.00 0.00 179.25 179.09 2ctn h ALA 8 N 1.11 0.70 -0.66 0.00 0.00 -0.17 -1.29 119.26 118.95 2ctn h ALA 8 Ca 0.16 -0.39 0.08 0.00 0.00 0.00 0.00 54.91 54.77 2ctn h ALA 8 Cb 0.52 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 2ctn h ALA 8 CO 0.03 0.68 0.44 0.28 0.00 0.00 0.00 179.25 180.67 2ctn h VAL 9 N 0.88 0.96 0.00 0.00 2.07 -0.94 0.35 116.25 119.58 2ctn h VAL 9 Ca 0.12 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2ctn h VAL 9 Cb 0.77 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2ctn h VAL 9 CO 0.06 0.11 -0.53 1.21 0.02 0.00 0.00 177.57 178.45 2ctn n GLU 10 N -4.48 0.15 0.00 1.57 4.07 -1.08 -3.65 120.64 117.22 2ctn n GLU 10 Ca 0.10 0.04 0.10 0.00 -0.06 0.00 0.00 57.16 57.35 2ctn n GLU 10 Cb 0.29 -1.59 -0.05 0.00 -0.06 0.00 0.00 31.44 30.03 2ctn n GLU 10 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2ctn n GLN 11 N -1.80 0.12 -0.96 5.31 6.02 0.28 -4.99 117.38 121.36 2ctn n GLN 11 Ca 0.04 -0.09 -0.36 0.00 -0.01 0.00 0.00 57.00 56.58 2ctn n GLN 11 Cb 0.39 -1.50 0.05 0.00 1.02 0.00 0.00 30.24 30.20 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 -1.36 -4.38 -4.83 1.08 4.77 0.97 -4.90 117.00 108.35 2ctn n LEU 12 Ca 0.05 0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.82 2ctn n LEU 12 Cb 0.34 -0.75 -0.06 0.00 -2.33 0.00 0.00 43.42 40.62 2ctn n LEU 12 CO 0.40 -4.67 0.42 0.42 -1.33 0.00 0.00 177.39 172.64 2ctn s THR 13 N -2.06 4.63 0.55 -5.08 -4.23 -1.26 -4.84 115.64 103.35 2ctn s THR 13 Ca 0.42 1.10 0.41 0.00 -1.18 0.00 0.00 61.69 62.43 2ctn s THR 13 Cb -0.10 -3.71 0.61 0.00 1.34 0.00 0.00 72.50 70.64 2ctn s THR 13 CO 0.76 -0.03 1.71 -0.08 -0.54 0.00 0.00 174.62 176.43 2ctn h GLU 14 N 2.71 0.00 0.00 3.99 4.81 -2.00 1.88 114.58 125.97 2ctn h GLU 14 Ca -0.48 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.74 2ctn h GLU 14 Cb 1.18 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.56 2ctn h GLU 14 CO 0.65 0.00 -0.20 1.49 -0.73 0.00 0.00 179.01 180.22 2ctn h GLU 15 N 0.00 0.00 0.04 1.92 4.81 -2.00 -3.06 114.58 116.29 2ctn h GLU 15 Ca 0.68 0.00 -0.28 0.00 -0.13 0.00 0.00 59.36 59.63 2ctn h GLU 15 Cb 2.78 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 32.13 2ctn h GLU 15 CO -0.01 0.05 -1.50 1.96 -0.73 0.00 0.00 179.01 178.78 2ctn h GLN 16 N 0.00 0.09 0.00 1.92 1.08 0.26 -3.22 115.11 115.23 2ctn h GLN 16 Ca -0.00 -0.15 -0.11 0.00 -1.45 0.00 0.00 58.65 56.93 2ctn h GLN 16 Cb 1.04 0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 28.51 2ctn h GLN 16 CO 0.01 0.84 -0.55 0.87 -0.95 0.00 0.00 178.83 179.05 2ctn h LYS 17 N 0.02 0.00 0.08 1.46 1.57 -1.35 -3.11 116.57 115.24 2ctn h LYS 17 Ca -0.21 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.56 2ctn h LYS 17 Cb 1.96 0.00 0.00 0.00 0.08 0.00 0.00 32.23 34.27 2ctn h LYS 17 CO 0.12 0.55 -0.04 -0.91 -0.57 0.00 0.00 179.45 178.59 2ctn h ASN 18 N 0.00 -0.09 -0.72 0.86 2.35 -1.64 -1.62 115.58 114.71 2ctn h ASN 18 Ca -0.01 -0.50 0.10 0.00 -0.55 0.00 0.00 56.30 55.34 2ctn h ASN 18 Cb 1.30 0.02 -0.05 0.00 0.05 0.00 0.00 38.32 39.64 2ctn h ASN 18 CO 0.07 0.53 0.47 -0.08 -1.65 0.00 0.00 177.43 176.78 2ctn h GLU 19 N -0.80 0.58 0.29 0.81 4.57 -1.65 -1.31 114.58 117.06 2ctn h GLU 19 Ca -0.01 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.12 2ctn h GLU 19 Cb 0.59 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2ctn h GLU 19 CO 0.02 0.38 -0.14 0.74 -1.18 0.00 0.00 179.01 178.83 2ctn h PHE 20 N 0.59 -0.36 -0.79 0.92 0.04 -1.56 0.72 116.94 116.49 2ctn h PHE 20 Ca 0.33 -0.01 0.16 0.00 2.80 0.00 0.00 57.97 61.26 2ctn h PHE 20 Cb 0.50 0.12 -0.15 0.00 2.20 0.00 0.00 35.95 38.62 2ctn h PHE 20 CO -0.00 -0.23 -0.16 0.87 -0.60 0.00 0.00 178.31 178.19 2ctn h LYS 21 N -1.02 0.01 0.07 1.51 1.57 -1.14 0.77 116.57 118.35 2ctn h LYS 21 Ca -0.04 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2ctn h LYS 21 Cb 0.30 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.61 2ctn h LYS 21 CO 0.07 0.01 -0.03 0.00 -0.57 0.00 0.00 179.45 178.92 2ctn h ALA 22 N 1.79 -0.09 0.64 3.86 0.00 -1.33 -2.48 119.26 121.65 2ctn h ALA 22 Ca 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 2ctn h ALA 22 Cb 0.62 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ctn h ALA 22 CO -0.80 -0.35 -0.38 0.00 0.00 0.00 0.00 179.25 177.72 2ctn h ALA 23 N 0.40 -1.20 -0.79 0.00 0.00 0.69 -0.53 119.26 117.84 2ctn h ALA 23 Ca -0.01 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 2ctn h ALA 23 Cb 0.42 0.49 -0.13 0.00 0.00 0.00 0.00 17.79 18.57 2ctn h ALA 23 CO 0.01 -1.16 -0.38 0.35 0.00 0.00 0.00 179.25 178.07 2ctn h PHE 24 N -0.95 -1.09 -0.27 0.00 3.57 0.39 0.17 116.94 118.77 2ctn h PHE 24 Ca -0.09 0.09 0.05 0.00 3.53 0.00 0.00 57.97 61.56 2ctn h PHE 24 Cb 0.76 0.59 -0.05 0.00 2.79 0.00 0.00 35.95 40.04 2ctn h PHE 24 CO -0.04 -0.40 -0.07 -0.44 -2.23 0.00 0.00 178.31 175.13 2ctn h ASP 25 N -0.09 -0.25 -0.83 0.41 5.19 -1.29 0.43 116.42 119.98 2ctn h ASP 25 Ca 0.27 0.08 0.16 0.00 -0.62 0.00 0.00 57.03 56.92 2ctn h ASP 25 Cb 0.57 0.17 -0.06 0.00 0.18 0.00 0.00 39.33 40.18 2ctn h ASP 25 CO -0.83 -0.09 0.55 0.40 -3.12 0.00 0.00 179.24 176.15 2ctn h ILE 26 N 0.00 0.79 0.02 0.35 2.04 0.96 0.39 117.51 122.05 2ctn h ILE 26 Ca 0.13 -0.18 -0.24 0.00 1.00 0.00 0.00 64.86 65.57 2ctn h ILE 26 Cb 0.20 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.47 2ctn h ILE 26 CO -0.28 0.10 -1.21 -0.26 0.00 0.00 0.00 178.15 176.50 2ctn h PHE 27 N 0.53 0.06 -0.01 1.37 0.04 0.57 -3.22 116.94 116.28 2ctn h PHE 27 Ca 0.42 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 61.14 2ctn h PHE 27 Cb 0.85 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.00 2ctn h PHE 27 CO -0.00 1.05 0.00 0.28 -0.60 0.00 0.00 178.31 179.03 2ctn n VAL 28 N -3.30 0.00 -0.26 -0.55 0.31 0.13 -3.87 118.33 110.80 2ctn n VAL 28 Ca -0.05 -0.07 0.28 0.00 -0.01 0.00 0.00 64.34 64.48 2ctn n VAL 28 Cb 0.98 -0.20 0.67 0.00 -0.91 0.00 0.00 33.84 34.37 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 0.68 0.13 -1.79 7.52 -0.00 -1.01 -1.73 115.31 119.12 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 0.15 -0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2ctn h LEU 29 CO 0.00 0.04 0.00 0.61 -0.00 0.00 0.00 178.44 179.09 2ctn n GLY 30 N -1.66 0.15 3.09 0.83 0.00 -1.25 -5.09 105.19 101.26 2ctn n GLY 30 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.22 -5.12 -0.03 4.61 0.00 -0.65 -4.91 120.51 114.19 2ctn n ALA 31 Ca 0.00 -1.35 -0.11 0.00 0.00 0.00 0.00 53.44 51.98 2ctn n ALA 31 Cb 0.31 -1.02 -0.14 0.00 0.00 0.00 0.00 19.45 18.60 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 0.93 0.66 -2.63 0.00 1.02 -1.26 -4.50 120.64 114.86 2ctn n GLU 32 Ca -0.01 0.25 -0.10 0.00 -0.02 0.00 0.00 57.16 57.28 2ctn n GLU 32 Cb 0.70 -1.74 0.03 0.00 -0.02 0.00 0.00 31.44 30.41 2ctn n GLU 32 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2ctn n ASP 33 N -3.07 2.33 -3.78 1.62 2.03 -1.26 -4.95 116.55 109.46 2ctn n ASP 33 Ca -0.22 -2.70 -0.26 0.00 0.52 0.00 0.00 54.79 52.13 2ctn n ASP 33 Cb 1.06 -0.48 0.04 0.00 -0.72 0.00 0.00 41.12 41.03 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 -0.40 -0.45 2.43 0.27 0.00 -1.26 -4.94 105.19 100.84 2ctn n GLY 34 Ca 0.16 0.19 -0.06 0.00 0.00 0.00 0.00 46.02 46.31 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 -2.93 -1.44 -3.80 1.61 7.64 -1.26 -4.79 113.62 108.64 2ctn n SER 35 Ca -0.06 -2.06 -0.29 0.00 1.01 0.00 0.00 58.87 57.47 2ctn n SER 35 Cb 0.57 2.42 -0.16 0.00 -1.01 0.00 0.00 64.21 66.03 2ctn n SER 35 CO 0.00 0.00 0.00 0.27 -3.01 0.00 0.00 175.04 172.30 2ctn s ILE 36 N -2.44 0.95 0.88 0.44 -4.36 1.00 -4.49 121.20 113.17 2ctn s ILE 36 Ca 0.11 -0.98 -0.13 0.00 -0.26 0.00 0.00 60.65 59.39 2ctn s ILE 36 Cb -0.03 -1.44 0.14 0.00 1.25 0.00 0.00 42.46 42.38 2ctn s ILE 36 CO 0.08 -0.28 1.24 -0.55 0.24 0.00 0.00 174.94 175.67 2ctn s SER 37 N 1.64 3.80 0.56 4.36 0.15 -1.26 -1.67 113.70 121.27 2ctn s SER 37 Ca -0.00 0.44 0.42 0.00 0.70 0.00 0.00 55.95 57.51 2ctn s SER 37 Cb -0.18 -0.70 1.61 0.00 -1.71 0.00 0.00 66.02 65.04 2ctn s SER 37 CO -0.11 -2.31 1.68 0.00 1.20 0.00 0.00 173.24 173.69 2ctn h THR 38 N -1.31 0.21 0.00 6.45 1.03 -1.66 2.40 112.91 120.03 2ctn h THR 38 Ca -0.45 0.00 -0.05 0.00 -0.01 0.00 0.00 66.41 65.90 2ctn h THR 38 Cb 1.28 0.21 -0.01 0.00 -1.07 0.00 0.00 68.15 68.56 2ctn h THR 38 CO 0.50 0.00 -0.56 0.50 -0.01 0.00 0.00 175.52 175.95 2ctn h LYS 39 N 0.00 0.00 0.00 0.00 3.11 -1.89 -3.08 116.57 114.70 2ctn h LYS 39 Ca 0.72 0.00 -0.31 0.00 -2.81 0.00 0.00 60.65 58.25 2ctn h LYS 39 Cb 2.95 0.00 -0.06 0.00 -1.00 0.00 0.00 32.23 34.12 2ctn h LYS 39 CO -0.01 0.18 -2.23 0.39 -2.81 0.00 0.00 179.45 174.97 2ctn n GLU 40 N -3.01 0.98 0.13 1.90 -0.58 0.69 -4.38 120.64 116.37 2ctn n GLU 40 Ca 0.01 -0.02 -0.01 0.00 -0.42 0.00 0.00 57.16 56.71 2ctn n GLU 40 Cb 0.64 -1.47 0.11 0.00 -0.57 0.00 0.00 31.44 30.15 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 -0.63 -4.62 7.12 0.20 -3.25 115.31 114.12 2ctn h LEU 41 Ca -0.46 0.00 0.13 0.00 0.13 0.00 0.00 57.88 57.68 2ctn h LEU 41 Cb 2.04 0.00 -0.11 0.00 -0.53 0.00 0.00 40.66 42.06 2ctn h LEU 41 CO 0.03 0.66 -0.08 1.23 -0.13 0.00 0.00 178.44 180.14 2ctn h GLY 42 N 2.36 0.57 2.00 3.75 0.00 -1.71 0.72 103.07 110.76 2ctn h GLY 42 Ca -0.01 0.15 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 2ctn h GLY 42 CO 0.09 -0.23 -0.12 1.70 0.00 0.00 0.00 176.54 177.97 2ctn h LYS 43 N 0.05 0.00 0.00 4.80 3.64 -1.82 -2.59 116.57 120.66 2ctn h LYS 43 Ca 0.32 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.61 2ctn h LYS 43 Cb 0.51 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.32 2ctn h LYS 43 CO -0.60 0.12 -0.44 0.28 -2.27 0.00 0.00 179.45 176.54 2ctn h VAL 44 N 0.00 0.78 0.06 2.00 2.07 0.27 -2.82 116.25 118.61 2ctn h VAL 44 Ca -0.00 -2.04 -0.09 0.00 0.82 0.00 0.00 66.70 65.39 2ctn h VAL 44 Cb 0.57 2.34 0.01 0.00 -1.52 0.00 0.00 31.29 32.69 2ctn h VAL 44 CO 0.02 0.43 -0.40 0.24 0.02 0.00 0.00 177.57 177.88 2ctn h MET 45 N 0.00 0.12 0.00 1.57 2.86 -0.53 -3.13 114.93 115.82 2ctn h MET 45 Ca -0.00 -0.20 -0.03 0.00 -2.06 0.00 0.00 59.70 57.41 2ctn h MET 45 Cb 1.31 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 33.04 2ctn h MET 45 CO 0.06 1.10 -0.13 -0.09 1.06 0.00 0.00 176.91 178.90 2ctn h ARG 46 N -0.75 0.00 0.00 1.72 2.43 -1.55 -2.22 114.38 114.01 2ctn h ARG 46 Ca -0.08 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.04 2ctn h ARG 46 Cb 1.27 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.81 2ctn h ARG 46 CO 0.05 0.13 -0.25 0.00 -1.51 0.00 0.00 179.97 178.39 2ctn h MET 47 N 0.00 0.00 0.00 0.20 -0.00 -1.58 -3.41 114.93 110.14 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 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.14 2ctn h MET 47 CO 0.02 0.24 0.00 1.28 -0.00 0.00 0.00 176.91 178.45 2ctn n LEU 48 N -3.16 1.61 -2.59 -0.10 4.77 -0.97 -4.99 117.00 111.57 2ctn n LEU 48 Ca 0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.97 2ctn n LEU 48 Cb 0.63 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.76 2ctn n LEU 48 CO 0.37 0.00 0.56 0.61 -1.33 0.00 0.00 177.39 177.60 2ctn n GLY 49 N 2.51 0.16 3.10 -0.72 0.00 -1.10 -5.12 105.19 104.02 2ctn n GLY 49 Ca 0.00 -0.06 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 0.09 0.53 -0.35 1.61 -0.21 -0.87 -5.04 119.66 115.43 2ctn s GLN 50 Ca 0.10 -0.68 0.15 0.00 0.02 0.00 0.00 55.36 54.95 2ctn s GLN 50 Cb 0.20 0.21 0.44 0.00 1.00 0.00 0.00 33.01 34.86 2ctn s GLN 50 CO -0.05 -0.13 1.12 -1.71 -2.12 0.00 0.00 175.29 172.41 2ctn n ASN 51 N 0.98 0.15 -3.12 5.90 5.15 -1.26 -3.53 115.26 119.53 2ctn n ASN 51 Ca -0.20 -2.58 0.00 0.00 -0.60 0.00 0.00 54.58 51.20 2ctn n ASN 51 Cb 0.58 0.07 0.00 0.00 -0.53 0.00 0.00 39.78 39.89 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 -0.31 0.33 -4.25 1.20 -0.04 -1.26 -5.06 135.00 125.60 2ctn n PRO 52 Ca 0.04 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.27 2ctn n PRO 52 Cb 0.83 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 34.22 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 -0.35 3.35 0.07 0.52 -4.23 -1.26 -5.01 115.64 108.74 2ctn s THR 53 Ca 0.00 -1.86 0.24 0.00 -1.18 0.00 0.00 61.69 58.89 2ctn s THR 53 Cb 0.00 -2.89 0.24 0.00 1.34 0.00 0.00 72.50 71.20 2ctn s THR 53 CO 0.00 -0.33 1.80 1.55 -0.54 0.00 0.00 174.62 177.10 2ctn h PRO 54 N 1.80 0.00 0.00 3.99 0.13 -2.01 -2.80 132.00 133.12 2ctn h PRO 54 Ca -0.44 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.66 2ctn h PRO 54 Cb 1.25 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.38 2ctn h PRO 54 CO 0.61 0.21 -0.13 0.93 -0.23 0.00 0.00 178.00 179.40 2ctn h GLU 55 N 0.00 0.00 0.01 0.86 5.08 -2.02 -3.23 114.58 115.29 2ctn h GLU 55 Ca -0.00 0.00 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 2ctn h GLU 55 Cb 0.79 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.00 2ctn h GLU 55 CO 0.03 0.13 -1.35 1.49 -1.00 0.00 0.00 179.01 178.30 2ctn h GLU 56 N 0.00 0.03 0.28 2.33 4.22 -1.91 -3.32 114.58 116.22 2ctn h GLU 56 Ca -0.00 -0.05 -0.01 0.00 0.08 0.00 0.00 59.36 59.37 2ctn h GLU 56 Cb 1.05 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2ctn h GLU 56 CO 0.02 0.81 -0.14 -0.07 -2.18 0.00 0.00 179.01 177.44 2ctn h LEU 57 N 0.01 -0.34 -1.68 1.64 3.38 -1.54 0.26 115.31 117.04 2ctn h LEU 57 Ca -0.15 0.01 0.29 0.00 0.09 0.00 0.00 57.88 58.13 2ctn h LEU 57 Cb 1.90 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 42.70 2ctn h LEU 57 CO 0.11 -0.24 0.93 -0.61 0.09 0.00 0.00 178.44 178.73 2ctn h GLN 58 N -0.39 0.00 0.02 1.13 5.75 -1.74 1.23 115.11 121.11 2ctn h GLN 58 Ca -0.04 0.00 -0.24 0.00 -0.15 0.00 0.00 58.65 58.22 2ctn h GLN 58 Cb 0.30 0.00 -0.03 0.00 1.07 0.00 0.00 27.48 28.82 2ctn h GLN 58 CO 0.06 0.00 -1.22 1.49 -2.65 0.00 0.00 178.83 176.51 2ctn h GLU 59 N 0.00 0.04 0.09 1.69 4.81 -1.47 -2.81 114.58 116.93 2ctn h GLU 59 Ca 0.48 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 59.38 2ctn h GLU 59 Cb 2.33 0.02 0.03 0.00 0.63 0.00 0.00 28.75 31.76 2ctn h GLU 59 CO -0.01 0.91 -1.06 0.52 -0.73 0.00 0.00 179.01 178.65 2ctn h MET 60 N 0.01 0.56 -0.04 1.92 2.86 0.50 -3.32 114.93 117.43 2ctn h MET 60 Ca -0.10 -0.72 -0.01 0.00 -2.06 0.00 0.00 59.70 56.81 2ctn h MET 60 Cb 1.86 0.23 -0.00 0.00 0.06 0.00 0.00 31.60 33.75 2ctn h MET 60 CO 0.13 1.31 -0.01 0.82 1.06 0.00 0.00 176.91 180.22 2ctn h ILE 61 N 0.14 1.31 -1.63 -1.22 2.04 -1.16 -2.81 117.51 114.18 2ctn h ILE 61 Ca -0.16 -0.95 0.47 0.00 1.00 0.00 0.00 64.86 65.22 2ctn h ILE 61 Cb 1.76 1.88 -0.07 0.00 -0.74 0.00 0.00 36.82 39.65 2ctn h ILE 61 CO 0.20 0.26 1.20 0.44 0.00 0.00 0.00 178.15 180.25 2ctn h ASP 62 N -0.30 0.00 0.00 1.72 3.32 -1.61 1.31 116.42 120.86 2ctn h ASP 62 Ca 0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2ctn h ASP 62 Cb 0.42 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 2ctn h ASP 62 CO 0.00 0.00 -0.26 -0.33 -1.72 0.00 0.00 179.24 176.94 2ctn h GLU 63 N 0.00 0.00 -0.44 3.56 3.07 -1.60 -3.38 114.58 115.79 2ctn h GLU 63 Ca 0.77 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 59.55 2ctn h GLU 63 Cb 3.16 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 31.05 2ctn h GLU 63 CO -0.01 0.14 -0.07 -0.39 -1.40 0.00 0.00 179.01 177.28 2ctn h VAL 64 N -1.00 1.25 -2.82 3.13 -1.51 -1.01 -3.41 116.25 110.87 2ctn h VAL 64 Ca -0.02 -1.11 -0.57 0.00 -1.23 0.00 0.00 66.70 63.78 2ctn h VAL 64 Cb 0.34 0.99 -0.03 0.00 -2.13 0.00 0.00 31.29 30.46 2ctn h VAL 64 CO -0.01 0.38 1.10 -0.62 -1.23 0.00 0.00 177.57 177.19 2ctn s ASP 65 N -6.68 6.44 0.00 4.19 2.15 0.44 -4.85 116.67 118.36 2ctn s ASP 65 Ca -0.09 1.57 0.27 0.00 0.43 0.00 0.00 52.55 54.73 2ctn s ASP 65 Cb 0.14 -2.53 0.92 0.00 -0.30 0.00 0.00 42.92 41.15 2ctn s ASP 65 CO 0.82 -1.21 1.67 -1.84 -0.17 0.00 0.00 175.17 174.43 2ctn n GLU 66 N 7.58 1.16 -0.03 4.34 0.28 -1.26 -3.96 120.64 128.74 2ctn n GLU 66 Ca 0.18 -0.65 -0.00 0.00 -0.16 0.00 0.00 57.16 56.52 2ctn n GLU 66 Cb 0.45 -1.49 -0.08 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 -0.35 2.46 -0.39 -1.84 5.68 -1.26 -5.02 116.55 115.83 2ctn n ASP 67 Ca 0.15 0.00 -0.01 0.00 -0.50 0.00 0.00 54.79 54.43 2ctn n ASP 67 Cb 0.34 1.09 0.00 0.00 -1.14 0.00 0.00 41.12 41.42 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 2.14 0.58 0.78 6.12 0.00 -1.25 -4.94 105.19 108.61 2ctn n GLY 68 Ca -0.10 -0.74 0.13 0.00 0.00 0.00 0.00 46.02 45.31 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 1.52 2.45 -1.98 1.61 3.41 -1.26 -4.93 113.62 114.45 2ctn n SER 69 Ca -0.01 -1.80 -0.14 0.00 -0.26 0.00 0.00 58.87 56.66 2ctn n SER 69 Cb 0.51 0.02 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 1.30 0.32 3.31 5.00 0.00 -1.26 -4.93 105.19 108.94 2ctn n GLY 70 Ca 0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.48 2.43 -0.16 2.61 -4.23 -1.26 -1.57 115.64 110.98 2ctn s THR 71 Ca 0.00 -0.91 0.01 0.00 -1.18 0.00 0.00 61.69 59.61 2ctn s THR 71 Cb 0.00 -1.94 0.01 0.00 1.34 0.00 0.00 72.50 71.91 2ctn s THR 71 CO 0.00 0.56 -0.20 -0.69 -0.54 0.00 0.00 174.62 173.75 2ctn s VAL 72 N -0.03 2.15 0.00 2.29 1.01 -0.67 -4.88 120.40 120.27 2ctn s VAL 72 Ca -0.06 -0.93 0.00 0.00 0.00 0.00 0.00 61.98 60.99 2ctn s VAL 72 Cb -0.15 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.35 2ctn s VAL 72 CO 0.05 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 174.79 2ctn n ASP 73 N 4.36 0.00 -0.27 3.32 5.68 -1.26 -0.00 116.55 128.38 2ctn n ASP 73 Ca -0.20 0.00 -0.02 0.00 -0.50 0.00 0.00 54.79 54.07 2ctn n ASP 73 Cb 0.51 0.00 0.10 0.00 -1.14 0.00 0.00 41.12 40.59 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 0.87 0.00 2.11 3.04 -2.00 -1.43 116.94 119.53 2ctn h PHE 74 Ca 0.00 0.02 0.00 0.00 3.98 0.00 0.00 57.97 61.97 2ctn h PHE 74 Cb 0.00 -0.28 0.00 0.00 2.56 0.00 0.00 35.95 38.23 2ctn h PHE 74 CO 0.00 0.48 -0.01 -0.44 -2.02 0.00 0.00 178.31 176.32 2ctn h ASP 75 N 0.89 0.00 -1.15 0.41 3.32 -1.99 -3.00 116.42 114.91 2ctn h ASP 75 Ca 0.31 0.00 0.33 0.00 0.02 0.00 0.00 57.03 57.70 2ctn h ASP 75 Cb 0.07 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 39.57 2ctn h ASP 75 CO -0.13 0.46 0.90 -0.33 -1.72 0.00 0.00 179.24 178.42 2ctn h GLU 76 N -0.92 0.00 0.14 3.56 5.08 -1.90 0.40 114.58 120.94 2ctn h GLU 76 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2ctn h GLU 76 Cb 0.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.26 2ctn h GLU 76 CO 0.00 0.00 -0.07 0.35 -1.00 0.00 0.00 179.01 178.29 2ctn h PHE 77 N 0.00 -0.17 -0.42 4.33 3.57 -1.35 -2.23 116.94 120.67 2ctn h PHE 77 Ca 0.55 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 62.01 2ctn h PHE 77 Cb 2.34 0.06 -0.02 0.00 2.79 0.00 0.00 35.95 41.12 2ctn h PHE 77 CO 0.00 -0.00 0.15 -0.07 -2.23 0.00 0.00 178.31 176.16 2ctn h LEU 78 N -1.03 0.60 -0.45 0.59 3.38 -1.16 0.38 115.31 117.61 2ctn h LEU 78 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 2ctn h LEU 78 Cb 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2ctn h LEU 78 CO 0.03 0.62 0.25 0.58 0.09 0.00 0.00 178.44 180.01 2ctn h VAL 79 N 0.54 1.16 0.04 1.22 2.07 -0.38 -1.31 116.25 119.59 2ctn h VAL 79 Ca 0.14 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 2ctn h VAL 79 Cb 0.22 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 2ctn h VAL 79 CO -0.01 0.17 -0.02 -0.03 0.02 0.00 0.00 177.57 177.71 2ctn h MET 80 N 0.59 -0.05 -0.14 1.57 1.85 -1.25 -3.05 114.93 114.45 2ctn h MET 80 Ca 0.16 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.29 2ctn h MET 80 Cb 0.06 0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.09 2ctn h MET 80 CO -0.03 0.56 0.28 0.00 -0.40 0.00 0.00 176.91 177.33 2ctn h MET 81 N -0.71 0.00 0.07 0.39 3.00 -0.24 -1.20 114.93 116.25 2ctn h MET 81 Ca -0.00 0.00 -0.00 0.00 0.00 0.00 0.00 59.70 59.69 2ctn h MET 81 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 31.60 32.23 2ctn h MET 81 CO 0.01 0.00 -0.04 0.28 0.00 0.00 0.00 176.91 177.16 2ctn h VAL 82 N 0.00 1.20 0.00 -0.10 2.07 -1.13 -2.87 116.25 115.42 2ctn h VAL 82 Ca 0.07 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2ctn h VAL 82 Cb 0.63 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 2ctn h VAL 82 CO -0.00 0.26 0.00 -2.11 0.02 0.00 0.00 177.57 175.74 2ctn n ARG 83 N -4.91 0.21 0.00 1.57 1.85 -0.52 -2.19 116.66 112.67 2ctn n ARG 83 Ca -0.08 0.14 0.13 0.00 -1.00 0.00 0.00 57.85 57.03 2ctn n ARG 83 Cb 0.26 -1.50 0.40 0.00 -1.05 0.00 0.00 32.46 30.57 2ctn n ARG 83 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2ctn n SER 84 N -1.32 0.48 -0.01 2.89 2.88 -0.80 -4.33 113.62 113.41 2ctn n SER 84 Ca 0.08 -0.26 -0.00 0.00 -1.33 0.00 0.00 58.87 57.35 2ctn n SER 84 Cb 0.15 0.04 -0.00 0.00 -0.75 0.00 0.00 64.21 63.64 2ctn n SER 84 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 2ctn h MET 85 N 0.28 0.00 -2.61 -1.46 2.86 -1.44 -3.47 114.93 109.09 2ctn h MET 85 Ca 0.00 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 2ctn h MET 85 Cb 0.48 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.04 2ctn h MET 85 CO 0.00 0.00 -0.59 1.63 1.06 0.00 0.00 176.91 179.01 2ctn n LYS 86 N -2.78 -2.18 0.04 1.72 5.02 -1.26 -3.63 118.16 115.10 2ctn n LYS 86 Ca -0.01 1.60 0.11 0.00 -2.02 0.00 0.00 58.31 57.99 2ctn n LYS 86 Cb 0.02 -2.74 0.02 0.00 -0.02 0.00 0.00 35.03 32.31 2ctn n LYS 86 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2ctn n ASP 87 N -4.27 0.61 -1.50 4.39 5.75 -1.26 -4.05 116.55 116.23 2ctn n ASP 87 Ca -0.02 -0.07 -0.07 0.00 -0.01 0.00 0.00 54.79 54.62 2ctn n ASP 87 Cb 0.63 0.77 0.22 0.00 -1.03 0.00 0.00 41.12 41.71 2ctn n ASP 87 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 2ctn n ASP 88 N -2.12 3.35 0.00 -1.12 5.68 -1.26 -5.32 116.55 115.76 2ctn n ASP 88 Ca 0.01 -3.54 0.00 0.00 -0.50 0.00 0.00 54.79 50.77 2ctn n ASP 88 Cb 0.47 -0.69 0.00 0.00 -1.14 0.00 0.00 41.12 39.76 2ctn n ASP 88 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63