#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cpw h GLY 12 N 0.00 0.00 2.00 0.23 0.00 -1.94 -2.06 103.07 101.30 3cpw h GLY 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3cpw h GLY 12 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 176.54 176.61 3cpw h ARG 13 N 0.00 0.00 -0.00 4.80 0.11 -2.03 -2.78 114.38 114.48 3cpw h ARG 13 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 3cpw h ARG 13 Cb 0.57 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.65 3cpw h ARG 13 CO 0.00 0.00 -0.01 1.19 0.10 0.00 0.00 179.97 181.25 3cpw n PHE 14 N -2.65 0.00 -2.52 4.08 0.99 -0.77 -5.00 117.46 111.58 3cpw n PHE 14 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 3cpw n PHE 14 Cb 0.37 -0.03 0.00 0.00 -1.00 0.00 0.00 39.48 38.83 3cpw n PHE 14 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3cpw n GLY 15 N 1.06 2.10 1.11 1.37 0.00 -1.05 -1.78 105.19 108.00 3cpw n GLY 15 Ca 0.22 -0.33 0.05 0.00 0.00 0.00 0.00 46.02 45.96 3cpw n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3cpw n ALA 16 N 6.96 3.02 -2.71 4.61 0.00 -1.26 -4.94 120.51 126.19 3cpw n ALA 16 Ca 0.00 -0.95 -0.24 0.00 0.00 0.00 0.00 53.44 52.25 3cpw n ALA 16 Cb 0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.39 3cpw n ALA 16 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3cpw s ARG 17 N -1.82 3.48 0.00 0.00 0.52 -0.73 -4.62 118.95 115.79 3cpw s ARG 17 Ca 0.29 -0.39 0.00 0.00 -0.52 0.00 0.00 55.73 55.11 3cpw s ARG 17 Cb 0.20 -2.71 0.00 0.00 0.52 0.00 0.00 34.95 32.96 3cpw s ARG 17 CO 0.11 0.21 0.00 0.66 0.02 0.00 0.00 175.30 176.30 3cpw n TYR 18 N -1.64 0.00 0.00 -0.53 0.53 -1.26 -4.91 117.16 109.36 3cpw n TYR 18 Ca -0.05 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.83 3cpw n TYR 18 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.87 3cpw n TYR 18 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 3cpw n GLY 19 N 0.00 0.55 0.00 2.72 0.00 -1.26 -4.63 105.19 102.57 3cpw n GLY 19 Ca 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.14 3cpw n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cpw n ARG 20 N 0.92 0.00 -0.32 1.61 1.74 -1.26 -2.93 116.66 116.42 3cpw n ARG 20 Ca 0.00 0.32 -0.09 0.00 -0.77 0.00 0.00 57.85 57.31 3cpw n ARG 20 Cb 0.00 -1.06 -0.08 0.00 -1.02 0.00 0.00 32.46 30.30 3cpw n ARG 20 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3cpw h VAL 21 N 0.00 0.00 -0.66 1.55 2.07 -1.97 1.11 116.25 118.35 3cpw h VAL 21 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3cpw h VAL 21 Cb 0.00 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 29.65 3cpw h VAL 21 CO 0.00 0.00 -0.28 0.28 0.02 0.00 0.00 177.57 177.59 3cpw h SER 22 N -0.03 -0.98 0.63 0.57 0.02 -1.82 0.92 113.55 112.85 3cpw h SER 22 Ca 0.12 0.23 0.00 0.00 -0.84 0.00 0.00 61.79 61.30 3cpw h SER 22 Cb 0.35 0.53 0.00 0.00 0.14 0.00 0.00 62.40 63.42 3cpw h SER 22 CO -0.74 -0.28 -0.31 -2.11 -1.14 0.00 0.00 176.83 172.25 3cpw n ARG 23 N -5.45 0.09 0.00 3.45 1.85 -0.54 -2.30 116.66 113.76 3cpw n ARG 23 Ca 0.06 -0.04 -0.18 0.00 -1.00 0.00 0.00 57.85 56.70 3cpw n ARG 23 Cb 0.36 -1.50 -0.10 0.00 -1.05 0.00 0.00 32.46 30.17 3cpw n ARG 23 CO 0.00 0.00 0.00 -0.09 -0.01 0.00 0.00 177.63 177.53 3cpw h ARG 24 N 0.10 0.55 -0.31 2.89 2.43 0.34 -2.78 114.38 117.60 3cpw h ARG 24 Ca 0.00 -0.54 -0.12 0.00 -0.81 0.00 0.00 59.98 58.50 3cpw h ARG 24 Cb 0.49 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.18 3cpw h ARG 24 CO 0.00 1.17 -0.28 0.00 -1.51 0.00 0.00 179.97 179.35 3cpw h ARG 25 N 0.15 0.73 -0.65 0.20 3.08 -0.94 -2.06 114.38 114.89 3cpw h ARG 25 Ca -0.08 -0.38 0.10 0.00 0.07 0.00 0.00 59.98 59.70 3cpw h ARG 25 Cb 1.39 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.41 3cpw h ARG 25 CO 0.14 0.99 0.43 0.28 -1.07 0.00 0.00 179.97 180.75 3cpw h VAL 26 N 0.49 0.90 0.48 2.04 2.07 -1.52 0.18 116.25 120.89 3cpw h VAL 26 Ca 0.05 -0.16 -0.02 0.00 0.82 0.00 0.00 66.70 67.39 3cpw h VAL 26 Cb 0.84 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3cpw h VAL 26 CO 0.07 0.09 -0.23 0.00 0.02 0.00 0.00 177.57 177.51 3cpw h ALA 27 N 1.67 -0.77 -0.47 1.67 0.00 -1.17 -0.46 119.26 119.74 3cpw h ALA 27 Ca 0.30 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 55.15 3cpw h ALA 27 Cb 0.54 0.25 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 3cpw h ALA 27 CO -0.09 -0.72 0.05 0.93 0.00 0.00 0.00 179.25 179.42 3cpw h GLU 28 N -0.98 0.17 -0.06 0.00 5.08 -1.05 0.88 114.58 118.62 3cpw h GLU 28 Ca -0.07 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.30 3cpw h GLU 28 Cb 0.50 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3cpw h GLU 28 CO 0.11 0.11 -0.02 0.82 -1.00 0.00 0.00 179.01 179.03 3cpw h ILE 29 N 0.17 0.94 0.00 3.13 2.04 -0.72 0.78 117.51 123.84 3cpw h ILE 29 Ca 0.23 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 66.07 3cpw h ILE 29 Cb 0.33 0.94 -0.00 0.00 -0.74 0.00 0.00 36.82 37.34 3cpw h ILE 29 CO -0.34 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.36 3cpw h GLU 30 N -0.00 0.00 -0.08 2.37 5.08 -0.57 0.17 114.58 121.55 3cpw h GLU 30 Ca 0.03 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.33 3cpw h GLU 30 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 3cpw h GLU 30 CO -0.06 0.12 -0.18 1.03 -1.00 0.00 0.00 179.01 178.92 3cpw h SER 31 N 0.00 0.29 0.83 1.42 0.87 0.14 -1.83 113.55 115.27 3cpw h SER 31 Ca -0.00 -0.58 -0.09 0.00 -1.23 0.00 0.00 61.79 59.90 3cpw h SER 31 Cb 0.83 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.69 3cpw h SER 31 CO 0.02 0.82 -0.42 -0.08 -0.53 0.00 0.00 176.83 176.63 3cpw h GLU 32 N -0.22 0.00 -0.42 2.24 4.81 -0.77 -3.02 114.58 117.20 3cpw h GLU 32 Ca 0.00 0.00 -0.12 0.00 -0.13 0.00 0.00 59.36 59.11 3cpw h GLU 32 Cb 0.77 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.14 3cpw h GLU 32 CO 0.04 0.42 -0.21 1.98 -0.73 0.00 0.00 179.01 180.50 3cpw h MET 33 N 0.00 0.85 -0.00 1.92 4.05 -0.83 -3.26 114.93 117.66 3cpw h MET 33 Ca -0.00 -0.35 0.00 0.00 -0.28 0.00 0.00 59.70 59.07 3cpw h MET 33 Cb 0.94 -0.04 0.00 0.00 -0.80 0.00 0.00 31.60 31.71 3cpw h MET 33 CO 0.05 0.98 -0.44 0.09 0.23 0.00 0.00 176.91 177.83 3cpw n ASN 34 N -4.11 0.84 -4.57 1.39 3.02 -0.70 -4.76 115.26 106.37 3cpw n ASN 34 Ca 0.00 -0.65 -0.32 0.00 -0.03 0.00 0.00 54.58 53.58 3cpw n ASN 34 Cb 0.44 0.28 0.14 0.00 -0.61 0.00 0.00 39.78 40.02 3cpw n ASN 34 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3cpw n GLU 35 N -1.07 -0.23 -2.54 3.52 1.02 -1.15 -4.89 120.64 115.31 3cpw n GLU 35 Ca 0.08 -0.01 -0.42 0.00 -0.02 0.00 0.00 57.16 56.80 3cpw n GLU 35 Cb 0.35 -2.17 -0.03 0.00 -0.02 0.00 0.00 31.44 29.57 3cpw n GLU 35 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3cpw s ASP 36 N -2.24 7.19 -0.03 1.62 1.01 -1.26 -4.92 116.67 118.04 3cpw s ASP 36 Ca 0.65 1.85 0.01 0.00 0.71 0.00 0.00 52.55 55.76 3cpw s ASP 36 Cb -0.24 -2.57 -0.03 0.00 1.01 0.00 0.00 42.92 41.08 3cpw s ASP 36 CO 0.60 -0.40 -0.00 -1.00 0.21 0.00 0.00 175.17 174.57 3cpw s HIS 37 N 1.16 3.08 -0.36 4.23 3.76 -1.24 -4.87 115.29 121.06 3cpw s HIS 37 Ca 0.56 0.10 -0.29 0.00 -0.15 0.00 0.00 55.06 55.28 3cpw s HIS 37 Cb -0.26 -1.70 -0.00 0.00 1.11 0.00 0.00 32.58 31.73 3cpw s HIS 37 CO 0.28 0.45 1.54 0.00 -0.85 0.00 0.00 174.74 176.16 3cpw s ALA 38 N -1.02 3.05 0.21 -1.40 0.00 -1.26 -1.72 121.76 119.62 3cpw s ALA 38 Ca 0.18 0.06 -0.32 0.00 0.00 0.00 0.00 51.96 51.88 3cpw s ALA 38 Cb -0.11 -3.94 -0.14 0.00 0.00 0.00 0.00 23.12 18.93 3cpw s ALA 38 CO 0.08 -2.36 1.38 0.00 0.00 0.00 0.00 175.76 174.86 3cpw h PRO 40 N 4.29 0.21 0.00 0.00 0.11 -1.93 -3.36 132.00 131.32 3cpw h PRO 40 Ca -0.45 -0.09 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3cpw h PRO 40 Cb 1.29 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cpw h PRO 40 CO 0.76 0.56 0.00 -1.71 -0.21 0.00 0.00 178.00 177.41 3cpw n ASN 41 N -4.06 0.00 -2.55 -2.05 5.15 -1.26 -4.87 115.26 105.62 3cpw n ASN 41 Ca -0.01 0.18 0.00 0.00 -0.60 0.00 0.00 54.58 54.15 3cpw n ASN 41 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 3cpw n ASN 41 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cpw n GLY 43 N 5.00 0.10 3.77 0.00 0.00 -1.26 -4.40 105.19 108.40 3cpw n GLY 43 Ca 0.00 -0.09 -0.40 0.00 0.00 0.00 0.00 46.02 45.53 3cpw n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3cpw s GLU 44 N -0.48 3.83 -1.34 1.61 8.01 -1.26 -4.39 118.70 124.67 3cpw s GLU 44 Ca 0.04 2.35 -0.12 0.00 0.01 0.00 0.00 54.97 57.25 3cpw s GLU 44 Cb 0.03 -2.73 0.11 0.00 -4.31 0.00 0.00 34.13 27.24 3cpw s GLU 44 CO 0.04 -0.68 1.94 -0.25 0.01 0.00 0.00 175.26 176.32 3cpw n ASP 45 N -0.01 4.67 -0.69 -0.19 8.00 -1.26 -0.11 116.55 126.96 3cpw n ASP 45 Ca 0.04 -2.99 0.04 0.00 0.71 0.00 0.00 54.79 52.60 3cpw n ASP 45 Cb 0.42 -1.58 0.08 0.00 -0.02 0.00 0.00 41.12 40.02 3cpw n ASP 45 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3cpw n ARG 46 N 5.25 0.58 -3.19 -1.24 1.74 -0.70 -4.37 116.66 114.73 3cpw n ARG 46 Ca 0.45 -2.05 -0.39 0.00 -0.77 0.00 0.00 57.85 55.09 3cpw n ARG 46 Cb 0.39 -0.79 -0.05 0.00 -1.02 0.00 0.00 32.46 30.98 3cpw n ARG 46 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 3cpw s VAL 47 N -1.24 5.06 0.03 1.55 1.01 -0.89 -1.62 120.40 124.29 3cpw s VAL 47 Ca 0.23 1.21 0.05 0.00 0.00 0.00 0.00 61.98 63.47 3cpw s VAL 47 Cb 0.24 -3.93 -0.02 0.00 0.00 0.00 0.00 36.38 32.67 3cpw s VAL 47 CO -0.05 0.33 -0.14 -1.81 0.00 0.00 0.00 175.10 173.43 3cpw s ASP 48 N 0.44 1.60 0.41 3.32 1.01 -0.08 -3.61 116.67 119.76 3cpw s ASP 48 Ca 0.31 -0.40 -0.25 0.00 0.71 0.00 0.00 52.55 52.92 3cpw s ASP 48 Cb -0.17 -0.12 -0.08 0.00 1.01 0.00 0.00 42.92 43.56 3cpw s ASP 48 CO 0.15 0.06 1.17 -0.60 0.21 0.00 0.00 175.17 176.16 3cpw s ARG 49 N -0.95 4.00 -0.01 8.23 3.52 -1.26 -1.12 118.95 131.36 3cpw s ARG 49 Ca 0.02 1.83 0.10 0.00 -0.13 0.00 0.00 55.73 57.55 3cpw s ARG 49 Cb -0.07 -2.63 -0.14 0.00 -1.56 0.00 0.00 34.95 30.55 3cpw s ARG 49 CO 0.01 -0.36 0.28 1.04 -0.81 0.00 0.00 175.30 175.45 3cpw n GLN 50 N -0.02 1.42 -3.28 5.12 1.13 0.29 -4.87 117.38 117.16 3cpw n GLN 50 Ca 0.05 -0.06 0.00 0.00 -1.94 0.00 0.00 57.00 55.05 3cpw n GLN 50 Cb 0.47 -1.14 0.00 0.00 0.11 0.00 0.00 30.24 29.67 3cpw n GLN 50 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3cpw n GLY 51 N 1.72 -1.12 3.61 1.08 0.00 -1.19 -4.99 105.19 104.30 3cpw n GLY 51 Ca -0.01 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.70 3cpw n GLY 51 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3cpw s THR 52 N -3.00 3.04 0.00 2.61 2.01 -1.26 -2.11 115.64 116.93 3cpw s THR 52 Ca 0.00 0.04 0.00 0.00 0.31 0.00 0.00 61.69 62.04 3cpw s THR 52 Cb 0.00 -3.04 0.00 0.00 0.01 0.00 0.00 72.50 69.47 3cpw s THR 52 CO 0.00 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 174.52 3cpw n GLY 53 N 5.45 0.34 3.29 4.40 0.00 -1.20 -4.96 105.19 112.50 3cpw n GLY 53 Ca 0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 3cpw n GLY 53 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3cpw s ILE 54 N -1.81 3.21 0.14 -0.61 1.01 -0.90 -1.81 121.20 120.43 3cpw s ILE 54 Ca 0.00 -0.55 0.11 0.00 0.00 0.00 0.00 60.65 60.21 3cpw s ILE 54 Cb 0.00 -2.45 -0.04 0.00 0.01 0.00 0.00 42.46 39.98 3cpw s ILE 54 CO 0.00 0.44 -0.26 0.26 0.00 0.00 0.00 174.94 175.38 3cpw s TRP 55 N 1.46 2.33 -0.06 3.97 0.52 0.18 0.10 118.94 127.43 3cpw s TRP 55 Ca 0.06 -0.37 -0.09 0.00 0.02 0.00 0.00 56.10 55.72 3cpw s TRP 55 Cb -0.14 -1.23 0.02 0.00 -1.15 0.00 0.00 33.47 30.97 3cpw s TRP 55 CO -0.05 0.38 0.22 -1.14 0.02 0.00 0.00 176.95 176.39 3cpw s GLN 56 N -2.20 0.36 -0.22 4.98 0.74 -0.28 -0.04 119.66 123.00 3cpw s GLN 56 Ca 0.16 0.13 -0.19 0.00 0.05 0.00 0.00 55.36 55.51 3cpw s GLN 56 Cb -0.10 0.16 -0.03 0.00 1.10 0.00 0.00 33.01 34.15 3cpw s GLN 56 CO 0.07 -0.06 0.55 0.00 -0.55 0.00 0.00 175.29 175.29 3cpw h SER 58 N 7.66 0.00 0.06 0.00 4.64 -1.67 0.22 113.55 124.46 3cpw h SER 58 Ca -0.31 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.00 3cpw h SER 58 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.24 3cpw h SER 58 CO 0.74 0.05 -0.03 0.22 -0.87 0.00 0.00 176.83 176.94 3cpw h TYR 59 N 0.00 -0.08 -0.03 4.77 3.20 -1.93 -3.40 116.97 119.51 3cpw h TYR 59 Ca -0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 3cpw h TYR 59 Cb 0.49 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.79 3cpw h TYR 59 CO 0.00 -0.05 -0.03 0.00 -1.64 0.00 0.00 178.16 176.44 3cpw n ASP 61 N 1.06 -4.38 -4.61 0.00 8.00 0.78 -4.96 116.55 112.44 3cpw n ASP 61 Ca 0.14 0.06 -0.43 0.00 0.71 0.00 0.00 54.79 55.28 3cpw n ASP 61 Cb 0.55 -2.10 -0.03 0.00 -0.02 0.00 0.00 41.12 39.52 3cpw n ASP 61 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3cpw s TYR 62 N -1.74 1.50 -0.23 1.24 5.04 -1.25 -4.64 117.35 117.27 3cpw s TYR 62 Ca 0.00 0.44 -0.11 0.00 -2.44 0.00 0.00 57.07 54.96 3cpw s TYR 62 Cb 0.00 -4.03 -0.05 0.00 0.35 0.00 0.00 41.96 38.23 3cpw s TYR 62 CO 0.00 -3.79 0.17 0.21 -1.34 0.00 0.00 175.55 170.81 3cpw s LYS 63 N 5.66 4.09 0.28 4.97 2.20 -1.26 -1.83 119.74 133.85 3cpw s LYS 63 Ca 0.89 -0.23 -0.06 0.00 -0.36 0.00 0.00 55.97 56.20 3cpw s LYS 63 Cb -0.30 -3.53 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 3cpw s LYS 63 CO 0.35 0.07 0.42 -0.59 -0.36 0.00 0.00 175.35 175.24 3cpw s PHE 64 N 1.02 0.80 0.10 4.03 -0.12 0.94 -5.00 117.98 119.76 3cpw s PHE 64 Ca 0.08 -1.08 0.00 0.00 -0.05 0.00 0.00 56.93 55.88 3cpw s PHE 64 Cb -0.13 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 3cpw s PHE 64 CO 0.04 -1.00 0.25 0.95 -0.05 0.00 0.00 175.22 175.41 3cpw s THR 65 N -3.60 5.35 0.00 -4.49 -4.23 -1.26 -0.65 115.64 106.76 3cpw s THR 65 Ca 0.29 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.34 3cpw s THR 65 Cb 0.01 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.18 3cpw s THR 65 CO 0.15 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.88 3cpw n GLY 66 N -0.02 3.06 3.45 3.99 0.00 -0.75 -4.91 105.19 110.01 3cpw n GLY 66 Ca -0.05 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 3cpw n GLY 66 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3cpw s GLY 67 N -0.03 1.50 0.08 -0.02 0.00 0.16 -4.66 107.32 104.36 3cpw s GLY 67 Ca 0.00 -0.94 -0.11 0.00 0.00 0.00 0.00 44.72 43.67 3cpw s GLY 67 CO 0.00 0.03 1.19 1.76 0.00 0.00 0.00 173.10 176.08 3cpw h SER 68 N -3.03 0.79 -0.00 1.64 0.02 -1.93 -3.19 113.55 107.85 3cpw h SER 68 Ca -0.43 -0.67 0.00 0.00 -0.84 0.00 0.00 61.79 59.85 3cpw h SER 68 Cb 1.31 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.61 3cpw h SER 68 CO 0.29 1.48 -0.04 -1.22 -1.14 0.00 0.00 176.83 176.20 3cpw n TYR 69 N -3.79 0.00 -4.20 3.45 4.02 -1.26 -3.53 117.16 111.85 3cpw n TYR 69 Ca -0.11 0.00 -0.19 0.00 -0.01 0.00 0.00 57.90 57.59 3cpw n TYR 69 Cb 0.91 0.00 -0.12 0.00 -0.02 0.00 0.00 39.34 40.11 3cpw n TYR 69 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 176.86 176.00 3cpw s LYS 70 N -0.88 0.85 0.47 -0.72 1.02 -1.26 -3.93 119.74 115.29 3cpw s LYS 70 Ca 0.01 -0.95 0.29 0.00 0.02 0.00 0.00 55.97 55.34 3cpw s LYS 70 Cb 0.01 -0.88 0.99 0.00 -0.52 0.00 0.00 37.83 37.43 3cpw s LYS 70 CO 0.04 0.20 1.83 -1.00 -0.92 0.00 0.00 175.35 175.50 3cpw h PRO 71 N 4.33 0.00 -4.19 -1.68 0.13 -1.93 0.46 132.00 129.12 3cpw h PRO 71 Ca -0.41 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.36 3cpw h PRO 71 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 3cpw h PRO 71 CO 0.40 0.00 -0.76 -1.21 -0.23 0.00 0.00 178.00 176.20 3cpw s GLU 72 N -3.46 0.55 0.22 0.86 2.02 -1.26 -3.40 118.70 114.24 3cpw s GLU 72 Ca 0.04 -0.14 0.08 0.00 0.02 0.00 0.00 54.97 54.97 3cpw s GLU 72 Cb 0.08 -0.57 -0.04 0.00 0.10 0.00 0.00 34.13 33.70 3cpw s GLU 72 CO 0.57 0.03 0.00 0.95 0.02 0.00 0.00 175.26 176.84 3cpw s THR 73 N 0.31 3.59 0.16 3.63 -4.23 -1.26 -4.80 115.64 113.04 3cpw s THR 73 Ca -0.03 -1.67 -0.24 0.00 -1.18 0.00 0.00 61.69 58.56 3cpw s THR 73 Cb -0.07 -2.86 0.04 0.00 1.34 0.00 0.00 72.50 70.94 3cpw s THR 73 CO -0.00 -0.25 1.59 -0.65 -0.54 0.00 0.00 174.62 174.77 3cpw h PRO 74 N 2.27 -0.28 -0.53 3.99 0.11 -2.01 0.17 132.00 135.72 3cpw h PRO 74 Ca -0.46 0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.66 3cpw h PRO 74 Cb 1.23 0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.37 3cpw h PRO 74 CO 0.59 -0.18 0.29 0.78 -0.21 0.00 0.00 178.00 179.27 3cpw h GLY 75 N -0.29 0.77 1.01 -0.55 0.00 -2.00 -2.08 103.07 99.92 3cpw h GLY 75 Ca 0.16 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.17 3cpw h GLY 75 CO -0.53 0.31 0.45 -1.33 0.00 0.00 0.00 176.54 175.45 3cpw h GLY 76 N 0.79 1.02 2.00 4.60 0.00 -1.15 -1.45 103.07 108.88 3cpw h GLY 76 Ca 0.19 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.12 3cpw h GLY 76 CO -0.03 0.39 0.00 0.28 0.00 0.00 0.00 176.54 177.18 3cpw n LYS 77 N -4.56 0.13 0.05 4.80 5.02 -0.12 -2.76 118.16 120.71 3cpw n LYS 77 Ca 0.06 0.38 -0.20 0.00 -2.02 0.00 0.00 58.31 56.53 3cpw n LYS 77 Cb 0.03 -1.75 -0.12 0.00 -0.02 0.00 0.00 35.03 33.18 3cpw n LYS 77 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 3cpw h THR 78 N 0.00 1.32 -0.68 -0.18 2.02 -0.97 -3.34 112.91 111.09 3cpw h THR 78 Ca 0.00 -2.29 0.14 0.00 0.77 0.00 0.00 66.41 65.03 3cpw h THR 78 Cb 0.30 2.57 -0.12 0.00 -1.74 0.00 0.00 68.15 69.16 3cpw h THR 78 CO 0.00 0.69 -0.09 0.58 0.37 0.00 0.00 175.52 177.07 3cpw h VAL 79 N 0.22 0.36 -0.19 3.16 2.07 -1.47 -1.84 116.25 118.56 3cpw h VAL 79 Ca -0.14 -0.02 0.04 0.00 0.82 0.00 0.00 66.70 67.40 3cpw h VAL 79 Cb 1.69 0.32 -0.07 0.00 -1.52 0.00 0.00 31.29 31.70 3cpw h VAL 79 CO 0.20 0.01 -0.51 0.03 0.02 0.00 0.00 177.57 177.31 3cpw h ARG 80 N 0.04 -0.51 0.00 1.57 3.08 -1.73 -3.26 114.38 113.57 3cpw h ARG 80 Ca 0.34 0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.43 3cpw h ARG 80 Cb 0.55 0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.72 3cpw h ARG 80 CO -0.65 -0.34 0.00 0.54 -1.07 0.00 0.00 179.97 178.45 3cpw n ARG 81 N -5.43 0.00 0.00 0.04 1.74 -0.70 -5.20 116.66 107.12 3cpw n ARG 81 Ca -0.05 0.08 0.00 0.00 -0.77 0.00 0.00 57.85 57.11 3cpw n ARG 81 Cb 0.37 -0.58 0.00 0.00 -1.02 0.00 0.00 32.46 31.23 3cpw n ARG 81 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98