#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcf n ALA 2 N 0.00 0.38 -3.58 3.04 0.00 -1.26 -5.01 120.51 114.08 2gcf n ALA 2 Ca 0.00 0.24 -0.20 0.00 0.00 0.00 0.00 53.44 53.48 2gcf n ALA 2 Cb 0.00 -2.12 -0.15 0.00 0.00 0.00 0.00 19.45 17.18 2gcf n ALA 2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2gcf s GLN 3 N -2.05 0.10 0.17 0.00 2.00 -1.26 -5.13 119.66 113.49 2gcf s GLN 3 Ca 0.63 0.23 -0.16 0.00 -2.00 0.00 0.00 55.36 54.06 2gcf s GLN 3 Cb -0.55 -1.11 0.02 0.00 0.80 0.00 0.00 33.01 32.18 2gcf s GLN 3 CO 0.57 -0.55 0.45 -0.08 -0.50 0.00 0.00 175.29 175.17 2gcf s THR 4 N 2.26 0.05 -0.09 -0.34 -1.32 -1.26 -2.65 115.64 112.28 2gcf s THR 4 Ca 0.04 -0.82 0.00 0.00 -1.21 0.00 0.00 61.69 59.71 2gcf s THR 4 Cb -0.15 -1.50 -0.03 0.00 -1.51 0.00 0.00 72.50 69.32 2gcf s THR 4 CO -0.09 -0.21 -0.09 -0.63 -2.21 0.00 0.00 174.62 171.40 2gcf s ILE 5 N -3.87 3.52 -0.17 5.08 -1.09 -1.20 -5.00 121.20 118.48 2gcf s ILE 5 Ca 0.09 -0.53 -0.06 0.00 -2.23 0.00 0.00 60.65 57.92 2gcf s ILE 5 Cb 0.01 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 2gcf s ILE 5 CO -0.05 0.56 0.04 0.54 -1.23 0.00 0.00 174.94 174.80 2gcf s ASN 6 N -0.35 5.45 0.32 3.58 2.20 -1.26 -3.44 114.94 121.44 2gcf s ASN 6 Ca 0.05 0.05 -0.11 0.00 -0.94 0.00 0.00 52.86 51.90 2gcf s ASN 6 Cb -0.12 -1.90 0.02 0.00 -2.00 0.00 0.00 41.25 37.24 2gcf s ASN 6 CO 0.02 0.19 0.59 -1.48 -2.94 0.00 0.00 177.10 173.48 2gcf s LEU 7 N 0.25 0.38 0.37 3.54 2.34 -0.67 -4.75 118.68 120.14 2gcf s LEU 7 Ca 0.02 -1.12 0.04 0.00 0.06 0.00 0.00 54.13 53.14 2gcf s LEU 7 Cb -0.13 2.08 -0.01 0.00 -0.56 0.00 0.00 46.19 47.58 2gcf s LEU 7 CO 0.01 -1.36 0.54 -1.10 -1.06 0.00 0.00 176.35 173.38 2gcf s GLN 8 N -3.26 3.11 -0.08 1.48 -0.21 0.25 -0.50 119.66 120.46 2gcf s GLN 8 Ca 0.22 -0.81 -0.02 0.00 0.02 0.00 0.00 55.36 54.77 2gcf s GLN 8 Cb -0.02 -2.73 0.03 0.00 1.00 0.00 0.00 33.01 31.29 2gcf s GLN 8 CO 0.13 -0.04 0.04 -1.17 -2.12 0.00 0.00 175.29 172.13 2gcf s LEU 9 N -4.30 0.39 -0.15 2.90 2.96 0.29 -0.88 118.68 119.89 2gcf s LEU 9 Ca 0.46 -0.12 -0.04 0.00 -0.22 0.00 0.00 54.13 54.21 2gcf s LEU 9 Cb -0.10 -0.29 -0.03 0.00 0.50 0.00 0.00 46.19 46.27 2gcf s LEU 9 CO 0.33 -0.24 -0.03 -0.70 -1.32 0.00 0.00 176.35 174.39 2gcf s GLU 10 N 2.07 3.68 0.00 1.98 2.12 0.49 -4.30 118.70 124.75 2gcf s GLU 10 Ca 0.04 -0.51 0.00 0.00 0.36 0.00 0.00 54.97 54.86 2gcf s GLU 10 Cb -0.13 -2.92 0.00 0.00 0.26 0.00 0.00 34.13 31.34 2gcf s GLU 10 CO -0.05 0.25 0.00 0.41 -0.54 0.00 0.00 175.26 175.33 2gcf n GLY 11 N 3.51 0.74 2.80 -1.50 0.00 -1.26 -0.59 105.19 108.88 2gcf n GLY 11 Ca -0.17 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.81 2gcf n GLY 11 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2gcf n MET 12 N -2.39 0.00 -0.00 1.61 2.81 -1.26 -4.77 117.12 113.12 2gcf n MET 12 Ca 0.00 -0.24 -0.13 0.00 -1.81 0.00 0.00 57.70 55.52 2gcf n MET 12 Cb 0.00 -1.44 -0.10 0.00 -0.71 0.00 0.00 33.22 30.97 2gcf n MET 12 CO 0.00 0.00 0.00 -0.09 1.51 0.00 0.00 175.97 177.39 2gcf h ARG 13 N 6.59 -0.06 0.00 0.03 1.12 -1.95 -3.45 114.38 116.66 2gcf h ARG 13 Ca 0.02 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.89 2gcf h ARG 13 Cb 0.11 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.08 2gcf h ARG 13 CO 0.54 0.50 0.00 0.00 -3.11 0.00 0.00 179.97 177.90 2gcf s ALA 15 N 0.00 3.44 -1.66 0.00 0.00 -1.26 -5.01 121.76 117.27 2gcf s ALA 15 Ca 0.00 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.22 2gcf s ALA 15 Cb 0.00 -1.64 0.11 0.00 0.00 0.00 0.00 23.12 21.59 2gcf s ALA 15 CO 0.00 0.57 0.76 0.00 0.00 0.00 0.00 175.76 177.08 2gcf n ALA 16 N 2.21 1.41 -0.44 0.00 0.00 -1.26 -3.72 120.51 118.71 2gcf n ALA 16 Ca -0.19 -0.01 0.36 0.00 0.00 0.00 0.00 53.44 53.60 2gcf n ALA 16 Cb 0.54 -1.03 0.65 0.00 0.00 0.00 0.00 19.45 19.61 2gcf n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf h ALA 18 N 1.55 1.17 0.00 0.00 0.00 -1.90 -0.28 119.26 119.80 2gcf h ALA 18 Ca 0.79 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.65 2gcf h ALA 18 Cb 2.51 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 20.12 2gcf h ALA 18 CO -0.35 0.16 -0.32 1.03 0.00 0.00 0.00 179.25 179.77 2gcf h SER 19 N 0.85 0.00 0.64 0.00 0.87 -1.38 -0.57 113.55 113.95 2gcf h SER 19 Ca 0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.95 2gcf h SER 19 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.26 2gcf h SER 19 CO -0.22 0.32 0.00 -0.24 -0.53 0.00 0.00 176.83 176.16 2gcf n SER 20 N -3.66 0.00 0.05 6.23 2.88 -0.26 -1.32 113.62 117.54 2gcf n SER 20 Ca -0.01 0.20 -0.03 0.00 -1.33 0.00 0.00 58.87 57.70 2gcf n SER 20 Cb 0.43 -0.39 -0.01 0.00 -0.75 0.00 0.00 64.21 63.49 2gcf n SER 20 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 2gcf h ILE 21 N 0.00 0.00 -0.75 2.46 2.04 0.35 -3.02 117.51 118.60 2gcf h ILE 21 Ca 0.00 -0.52 0.09 0.00 1.00 0.00 0.00 64.86 65.43 2gcf h ILE 21 Cb 0.32 0.00 -0.11 0.00 -0.74 0.00 0.00 36.82 36.28 2gcf h ILE 21 CO 0.00 0.00 -0.51 -0.33 0.00 0.00 0.00 178.15 177.31 2gcf h GLU 22 N -0.72 -0.15 0.00 2.37 4.39 -1.49 0.63 114.58 119.61 2gcf h GLU 22 Ca -0.02 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.69 2gcf h GLU 22 Cb 0.15 0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.84 2gcf h GLU 22 CO 0.03 -0.10 0.00 -0.09 -1.16 0.00 0.00 179.01 177.70 2gcf h ARG 23 N -0.15 0.00 0.17 2.33 9.65 -1.40 -1.03 114.38 123.95 2gcf h ARG 23 Ca 0.17 0.00 -0.34 0.00 -1.10 0.00 0.00 59.98 58.72 2gcf h ARG 23 Cb 0.52 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.11 2gcf h ARG 23 CO -0.80 0.00 -1.70 0.00 2.80 0.00 0.00 179.97 180.27 2gcf h ALA 24 N 2.04 0.18 0.00 2.80 0.00 -1.19 -3.37 119.26 119.73 2gcf h ALA 24 Ca 0.00 -1.15 -0.07 0.00 0.00 0.00 0.00 54.91 53.69 2gcf h ALA 24 Cb 0.70 0.49 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 2gcf h ALA 24 CO 0.00 1.00 -0.33 0.82 0.00 0.00 0.00 179.25 180.74 2gcf h ILE 25 N 0.01 1.02 0.00 0.00 2.04 -0.81 -0.47 117.51 119.29 2gcf h ILE 25 Ca -0.34 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.27 2gcf h ILE 25 Cb 2.02 1.71 0.00 0.00 -0.74 0.00 0.00 36.82 39.81 2gcf h ILE 25 CO 0.14 0.33 0.03 0.00 0.00 0.00 0.00 178.15 178.65 2gcf n ALA 26 N -2.38 1.04 0.30 1.87 0.00 -0.40 -0.17 120.51 120.78 2gcf n ALA 26 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.46 2gcf n ALA 26 Cb 0.41 -0.75 0.00 0.00 0.00 0.00 0.00 19.45 19.12 2gcf n ALA 26 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2gcf n LYS 27 N -0.99 1.86 -2.77 0.00 5.02 -0.19 -5.05 118.16 116.04 2gcf n LYS 27 Ca 0.00 -0.58 -0.42 0.00 -2.02 0.00 0.00 58.31 55.30 2gcf n LYS 27 Cb 0.03 -1.01 -0.03 0.00 -0.02 0.00 0.00 35.03 34.00 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2gcf s VAL 28 N -0.98 4.89 -0.35 -0.18 1.01 0.76 -4.95 120.40 120.61 2gcf s VAL 28 Ca 0.06 1.95 0.22 0.00 0.00 0.00 0.00 61.98 64.21 2gcf s VAL 28 Cb 0.06 -4.27 0.23 0.00 0.00 0.00 0.00 36.38 32.39 2gcf s VAL 28 CO 0.16 0.18 1.67 -0.81 0.00 0.00 0.00 175.10 176.30 2gcf n PRO 29 N 3.84 0.16 0.11 2.72 -0.04 -1.26 -1.07 135.00 139.46 2gcf n PRO 29 Ca 0.05 0.54 0.12 0.00 -0.04 0.00 0.00 63.50 64.16 2gcf n PRO 29 Cb 0.51 -1.91 0.25 0.00 -0.04 0.00 0.00 33.50 32.32 2gcf n PRO 29 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2gcf h GLY 30 N 1.04 0.00 -3.79 0.55 0.00 -1.92 -3.45 103.07 95.50 2gcf h GLY 30 Ca 0.00 0.00 -0.54 0.00 0.00 0.00 0.00 47.33 46.79 2gcf h GLY 30 CO 0.00 0.00 0.77 0.54 0.00 0.00 0.00 176.54 177.85 2gcf s VAL 31 N -3.16 2.00 0.00 4.60 0.11 -0.23 -3.54 120.40 120.19 2gcf s VAL 31 Ca 0.08 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2gcf s VAL 31 Cb 0.11 -3.00 0.00 0.00 -1.53 0.00 0.00 36.38 31.96 2gcf s VAL 31 CO 0.67 0.00 0.02 0.00 -3.33 0.00 0.00 175.10 172.45 2gcf n GLN 32 N 0.23 0.36 0.00 1.54 -0.00 0.48 -4.90 117.38 115.09 2gcf n GLN 32 Ca 0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 57.00 57.01 2gcf n GLN 32 Cb 0.40 -0.24 0.00 0.00 -0.00 0.00 0.00 30.24 30.40 2gcf n GLN 32 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.06 177.49 2gcf n SER 33 N -0.06 0.00 -4.53 2.61 7.64 -1.16 -4.98 113.62 113.14 2gcf n SER 33 Ca 0.00 0.00 -0.25 0.00 1.01 0.00 0.00 58.87 59.63 2gcf n SER 33 Cb 0.09 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.18 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gcf n GLN 35 N -0.79 0.00 -4.71 0.00 6.02 -0.27 -4.94 117.38 112.70 2gcf n GLN 35 Ca -0.05 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.70 2gcf n GLN 35 Cb 0.65 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.76 2gcf n GLN 35 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2gcf s VAL 36 N 0.00 1.38 -0.53 5.09 0.11 -1.26 0.11 120.40 125.29 2gcf s VAL 36 Ca 0.00 -0.86 -0.01 0.00 -2.93 0.00 0.00 61.98 58.18 2gcf s VAL 36 Cb 0.00 -1.17 0.14 0.00 -1.53 0.00 0.00 36.38 33.82 2gcf s VAL 36 CO 0.00 0.29 0.31 0.21 -3.33 0.00 0.00 175.10 172.58 2gcf s ASN 37 N -0.67 4.98 -0.62 3.54 3.84 0.22 -5.00 114.94 121.24 2gcf s ASN 37 Ca 0.06 -2.66 -0.06 0.00 0.21 0.00 0.00 52.86 50.40 2gcf s ASN 37 Cb -0.07 -1.78 -0.15 0.00 -0.55 0.00 0.00 41.25 38.70 2gcf s ASN 37 CO 0.00 -0.37 2.82 0.33 -2.79 0.00 0.00 177.10 177.09 2gcf n PHE 38 N 3.69 0.92 0.00 0.43 -0.00 -1.26 -1.53 117.46 119.71 2gcf n PHE 38 Ca 0.05 -1.86 0.00 0.00 -0.00 0.00 0.00 57.45 55.63 2gcf n PHE 38 Cb 0.38 -1.73 0.00 0.00 -0.00 0.00 0.00 39.48 38.13 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2gcf n ALA 39 N 3.19 0.00 -1.51 3.13 0.00 -1.26 -4.95 120.51 119.10 2gcf n ALA 39 Ca 0.48 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.99 2gcf n ALA 39 Cb 0.48 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.03 2gcf n ALA 39 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2gcf n LEU 40 N -0.70 1.61 0.00 0.00 7.94 -1.13 -5.04 117.00 119.68 2gcf n LEU 40 Ca 0.00 -2.50 0.00 0.00 -1.11 0.00 0.00 56.01 52.40 2gcf n LEU 40 Cb 0.00 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 43.66 2gcf n LEU 40 CO 0.00 0.65 0.00 -0.62 -1.11 0.00 0.00 177.39 176.31 2gcf n GLU 41 N -0.84 0.00 -1.75 1.96 1.02 -0.58 -4.96 120.64 115.49 2gcf n GLU 41 Ca 0.11 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.91 2gcf n GLU 41 Cb 0.70 -3.20 0.05 0.00 -0.02 0.00 0.00 31.44 28.97 2gcf n GLU 41 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2gcf s GLN 42 N 0.00 2.71 0.13 3.49 0.00 -1.25 -0.54 119.66 124.19 2gcf s GLN 42 Ca 0.00 1.54 0.09 0.00 -0.00 0.00 0.00 55.36 56.98 2gcf s GLN 42 Cb 0.00 -1.93 -0.04 0.00 0.00 0.00 0.00 33.01 31.05 2gcf s GLN 42 CO 0.00 -1.35 -0.21 0.00 0.00 0.00 0.00 175.29 173.73 2gcf s ALA 43 N -2.14 1.97 -0.23 2.60 0.00 0.35 -0.61 121.76 123.70 2gcf s ALA 43 Ca 0.70 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 51.27 2gcf s ALA 43 Cb -0.24 -0.25 0.07 0.00 0.00 0.00 0.00 23.12 22.71 2gcf s ALA 43 CO 0.40 0.35 0.05 0.54 0.00 0.00 0.00 175.76 177.10 2gcf s VAL 44 N -1.45 0.64 -0.13 0.00 0.11 0.12 -1.66 120.40 118.02 2gcf s VAL 44 Ca 0.11 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.36 2gcf s VAL 44 Cb -0.09 -1.23 0.00 0.00 -1.53 0.00 0.00 36.38 33.53 2gcf s VAL 44 CO 0.05 -0.35 -0.21 -0.69 -3.33 0.00 0.00 175.10 170.57 2gcf s VAL 45 N 1.79 2.21 -0.36 2.04 1.01 -1.22 -1.11 120.40 124.76 2gcf s VAL 45 Ca 0.02 -0.94 -0.13 0.00 0.00 0.00 0.00 61.98 60.93 2gcf s VAL 45 Cb -0.17 -1.88 -0.00 0.00 0.00 0.00 0.00 36.38 34.32 2gcf s VAL 45 CO -0.14 0.55 0.24 -0.94 0.00 0.00 0.00 175.10 174.81 2gcf s SER 46 N 0.64 5.98 0.00 3.32 1.04 0.25 -3.20 113.70 121.74 2gcf s SER 46 Ca -0.11 -0.60 0.01 0.00 0.48 0.00 0.00 55.95 55.73 2gcf s SER 46 Cb -0.16 -2.12 0.02 0.00 0.10 0.00 0.00 66.02 63.86 2gcf s SER 46 CO 0.02 -0.30 0.73 0.00 0.98 0.00 0.00 173.24 174.67 2gcf n TYR 47 N 5.09 0.00 -4.39 5.02 4.11 -1.08 -0.39 117.16 125.53 2gcf n TYR 47 Ca -0.12 -0.19 -0.33 0.00 -0.00 0.00 0.00 57.90 57.26 2gcf n TYR 47 Cb 0.49 0.30 -0.16 0.00 -0.00 0.00 0.00 39.34 39.96 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.86 175.85 2gcf s HIS 48 N 0.00 2.72 0.00 -3.48 3.76 -1.23 -4.31 115.29 112.75 2gcf s HIS 48 Ca 0.01 -1.50 0.00 0.00 -0.15 0.00 0.00 55.06 53.43 2gcf s HIS 48 Cb 0.02 -1.86 0.00 0.00 1.11 0.00 0.00 32.58 31.84 2gcf s HIS 48 CO -0.01 -0.71 0.00 0.41 -0.85 0.00 0.00 174.74 173.58 2gcf n GLY 49 N 4.35 1.49 3.79 -2.22 0.00 -1.26 -4.79 105.19 106.55 2gcf n GLY 49 Ca -0.20 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.41 2gcf n GLY 49 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2gcf s GLU 50 N 0.00 3.24 0.00 1.61 -6.30 -1.26 -4.96 118.70 111.02 2gcf s GLU 50 Ca 0.00 1.31 0.00 0.00 -2.50 0.00 0.00 54.97 53.78 2gcf s GLU 50 Cb 0.00 -2.01 0.00 0.00 0.00 0.00 0.00 34.13 32.12 2gcf s GLU 50 CO 0.00 -0.89 0.82 -2.37 0.02 0.00 0.00 175.26 172.84 2gcf n THR 51 N -1.94 0.79 0.51 -1.70 5.66 -1.26 -4.24 114.28 112.10 2gcf n THR 51 Ca 0.10 0.00 0.13 0.00 -3.05 0.00 0.00 64.05 61.22 2gcf n THR 51 Cb 0.52 -0.89 0.45 0.00 -1.55 0.00 0.00 70.33 68.86 2gcf n THR 51 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 2gcf n THR 52 N 0.54 0.71 0.30 1.09 5.66 -1.26 -4.72 114.28 116.60 2gcf n THR 52 Ca 0.00 -0.04 0.19 0.00 -3.05 0.00 0.00 64.05 61.15 2gcf n THR 52 Cb 0.41 -0.87 0.95 0.00 -1.55 0.00 0.00 70.33 69.27 2gcf n THR 52 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 2gcf h PRO 53 N 0.00 0.00 -0.39 1.09 0.13 -1.87 0.12 132.00 131.08 2gcf h PRO 53 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2gcf h PRO 53 Cb 0.57 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.68 2gcf h PRO 53 CO 0.00 0.00 0.28 -0.56 -0.23 0.00 0.00 178.00 177.49 2gcf h GLN 54 N 0.00 0.00 0.00 0.86 3.07 -1.97 -1.62 115.11 115.45 2gcf h GLN 54 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2gcf h GLN 54 Cb 0.16 -0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.72 2gcf h GLN 54 CO 0.00 0.00 0.00 -0.89 0.09 0.00 0.00 178.83 178.03 2gcf n ILE 55 N -4.42 1.50 0.32 1.86 2.08 0.42 -2.19 119.36 118.92 2gcf n ILE 55 Ca 0.06 0.37 0.21 0.00 0.56 0.00 0.00 62.75 63.96 2gcf n ILE 55 Cb 0.47 -1.26 1.04 0.00 -0.75 0.00 0.00 39.64 39.13 2gcf n ILE 55 CO 0.00 0.00 0.00 0.17 0.56 0.00 0.00 176.55 177.28 2gcf h LEU 56 N 0.00 0.00 0.00 1.39 8.10 -1.50 -2.13 115.31 121.17 2gcf h LEU 56 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2gcf h LEU 56 Cb 0.11 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.33 2gcf h LEU 56 CO 0.00 0.00 -0.51 0.41 -4.11 0.00 0.00 178.44 174.23 2gcf n THR 57 N -3.05 1.30 -0.29 0.15 -1.04 -0.93 -4.55 114.28 105.87 2gcf n THR 57 Ca -0.02 0.24 0.12 0.00 -2.04 0.00 0.00 64.05 62.34 2gcf n THR 57 Cb 0.15 -2.31 0.27 0.00 -1.82 0.00 0.00 70.33 66.61 2gcf n THR 57 CO 0.00 0.00 0.00 -0.78 -0.64 0.00 0.00 175.07 173.65 2gcf h ASP 58 N -0.91 0.04 0.50 8.00 3.58 -1.61 0.17 116.42 126.18 2gcf h ASP 58 Ca 0.00 0.18 0.00 0.00 0.42 0.00 0.00 57.03 57.63 2gcf h ASP 58 Cb 0.51 0.24 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2gcf h ASP 58 CO 0.00 -0.12 0.00 0.00 -2.88 0.00 0.00 179.24 176.24 2gcf n ALA 59 N -2.68 1.75 -0.07 -0.78 0.00 -0.81 -1.27 120.51 116.66 2gcf n ALA 59 Ca 0.20 -0.06 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 2gcf n ALA 59 Cb 0.64 -1.26 -0.14 0.00 0.00 0.00 0.00 19.45 18.70 2gcf n ALA 59 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2gcf n VAL 60 N -1.46 1.57 -0.21 0.00 0.31 0.52 -4.51 118.33 114.55 2gcf n VAL 60 Ca 0.05 -0.70 -0.07 0.00 -0.01 0.00 0.00 64.34 63.61 2gcf n VAL 60 Cb 0.17 -1.22 0.03 0.00 -0.91 0.00 0.00 33.84 31.91 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2gcf h GLU 61 N 0.02 0.86 0.00 5.55 4.39 -0.67 -2.09 114.58 122.64 2gcf h GLU 61 Ca -0.48 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.07 2gcf h GLU 61 Cb 2.03 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 2gcf h GLU 61 CO 0.01 0.72 0.31 0.07 -1.16 0.00 0.00 179.01 178.96 2gcf h ARG 62 N 0.81 0.00 0.00 2.33 -0.00 -1.41 -0.77 114.38 115.34 2gcf h ARG 62 Ca 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.18 2gcf h ARG 62 Cb 0.16 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.13 2gcf h ARG 62 CO -0.02 0.00 -0.99 0.00 -0.00 0.00 0.00 179.97 178.96 2gcf n ALA 63 N -1.71 3.72 -0.49 0.08 0.00 -0.80 -4.96 120.51 116.35 2gcf n ALA 63 Ca -0.01 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 52.98 2gcf n ALA 63 Cb 0.34 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.85 2gcf n ALA 63 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gcf n GLY 64 N 1.42 0.75 3.77 0.00 0.00 -0.29 -4.83 105.19 106.01 2gcf n GLY 64 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.78 2gcf n GLY 64 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gcf s TYR 65 N -2.39 2.22 0.12 1.61 2.02 -1.13 -4.89 117.35 114.92 2gcf s TYR 65 Ca 0.00 -0.73 0.05 0.00 -0.37 0.00 0.00 57.07 56.02 2gcf s TYR 65 Cb 0.00 -1.86 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2gcf s TYR 65 CO 0.00 0.07 -0.12 -1.01 -1.57 0.00 0.00 175.55 172.92 2gcf s HIS 66 N -2.71 1.31 -0.40 2.71 3.76 0.24 -3.26 115.29 116.94 2gcf s HIS 66 Ca 0.31 -0.62 -0.22 0.00 -0.15 0.00 0.00 55.06 54.39 2gcf s HIS 66 Cb 0.03 -0.68 0.02 0.00 1.11 0.00 0.00 32.58 33.05 2gcf s HIS 66 CO 0.18 0.11 0.71 0.00 -0.85 0.00 0.00 174.74 174.88 2gcf s ALA 67 N -2.46 3.38 -0.38 -1.40 0.00 -1.26 -0.38 121.76 119.26 2gcf s ALA 67 Ca 0.10 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.99 2gcf s ALA 67 Cb -0.03 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.77 2gcf s ALA 67 CO 0.02 -1.64 0.28 0.50 0.00 0.00 0.00 175.76 174.93 2gcf s ARG 68 N 2.98 3.20 0.06 0.00 6.06 -0.06 -4.94 118.95 126.25 2gcf s ARG 68 Ca 0.27 -0.84 -0.31 0.00 -2.50 0.00 0.00 55.73 52.35 2gcf s ARG 68 Cb -0.13 -3.91 -0.08 0.00 0.06 0.00 0.00 34.95 30.89 2gcf s ARG 68 CO 0.18 -0.62 1.57 0.08 -2.50 0.00 0.00 175.30 174.01 2gcf s VAL 69 N 1.72 3.19 0.27 7.11 1.01 -1.26 -0.58 120.40 131.86 2gcf s VAL 69 Ca 0.06 0.65 0.06 0.00 0.00 0.00 0.00 61.98 62.76 2gcf s VAL 69 Cb -0.18 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.75 2gcf s VAL 69 CO 0.10 0.00 0.30 -1.48 0.00 0.00 0.00 175.10 174.03 2gcf s LEU 70 N 2.42 3.96 0.00 3.92 0.05 -1.26 -4.87 118.68 122.90 2gcf s LEU 70 Ca 0.71 -0.18 0.00 0.00 0.05 0.00 0.00 54.13 54.70 2gcf s LEU 70 Cb -0.38 -2.54 0.00 0.00 -2.05 0.00 0.00 46.19 41.22 2gcf s LEU 70 CO 0.31 -0.16 0.00 0.29 -0.55 0.00 0.00 176.35 176.24 2gcf n LYS 71 N -1.35 0.00 -4.77 1.48 5.02 -1.26 -5.03 118.16 112.25 2gcf n LYS 71 Ca -0.06 0.00 -0.33 0.00 -2.02 0.00 0.00 58.31 55.90 2gcf n LYS 71 Cb 0.58 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.51 2gcf n LYS 71 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2gcf s GLN 72 N -2.00 2.21 0.00 1.97 -0.21 -1.26 -5.25 119.66 115.11 2gcf s GLN 72 Ca 0.00 -2.42 0.00 0.00 0.02 0.00 0.00 55.36 52.96 2gcf s GLN 72 Cb 0.00 -1.52 0.00 0.00 1.00 0.00 0.00 33.01 32.49 2gcf s GLN 72 CO 0.00 -0.38 0.00 0.94 -2.12 0.00 0.00 175.29 173.73