#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 0.00 -1.68 3.04 0.00 0.35 -4.92 120.51 117.30 2gcf n ALA 2 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.00 2gcf n ALA 2 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 2gcf n ALA 2 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n GLN 3 N -1.70 2.02 -4.08 0.00 0.00 -1.26 -4.82 117.38 107.54 2gcf n GLN 3 Ca 0.00 0.71 -0.26 0.00 0.00 0.00 0.00 57.00 57.45 2gcf n GLN 3 Cb 0.00 -2.30 -0.05 0.00 0.00 0.00 0.00 30.24 27.88 2gcf n GLN 3 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.06 176.98 2gcf s THR 4 N -0.69 4.51 -0.06 -0.39 -1.32 -1.26 -4.09 115.64 112.34 2gcf s THR 4 Ca 0.61 -1.05 0.03 0.00 -1.21 0.00 0.00 61.69 60.07 2gcf s THR 4 Cb -0.61 -3.30 0.01 0.00 -1.51 0.00 0.00 72.50 67.09 2gcf s THR 4 CO 0.57 -0.09 -0.16 -0.63 -2.21 0.00 0.00 174.62 172.10 2gcf s ILE 5 N -1.73 1.37 -0.07 5.08 -1.09 -0.46 -4.96 121.20 119.35 2gcf s ILE 5 Ca 0.31 -0.64 0.01 0.00 -2.23 0.00 0.00 60.65 58.10 2gcf s ILE 5 Cb -0.10 -1.21 0.02 0.00 -1.58 0.00 0.00 42.46 39.59 2gcf s ILE 5 CO 0.23 0.40 -0.08 0.54 -1.23 0.00 0.00 174.94 174.80 2gcf s ASN 6 N 0.39 1.67 0.36 3.58 6.03 -1.26 -1.63 114.94 124.07 2gcf s ASN 6 Ca -0.11 -0.25 -0.17 0.00 -1.03 0.00 0.00 52.86 51.30 2gcf s ASN 6 Cb -0.14 -0.72 0.05 0.00 -3.03 0.00 0.00 41.25 37.41 2gcf s ASN 6 CO 0.04 -0.04 0.79 -1.48 -2.03 0.00 0.00 177.10 174.38 2gcf s LEU 7 N 1.07 -0.04 0.31 3.54 2.34 -0.62 -4.77 118.68 120.51 2gcf s LEU 7 Ca -0.08 -1.04 0.06 0.00 0.06 0.00 0.00 54.13 53.13 2gcf s LEU 7 Cb -0.14 2.79 -0.02 0.00 -0.56 0.00 0.00 46.19 48.26 2gcf s LEU 7 CO -0.01 -1.60 0.44 -1.10 -1.06 0.00 0.00 176.35 173.02 2gcf s GLN 8 N -2.55 3.23 -0.09 1.48 -0.21 0.26 -0.57 119.66 121.21 2gcf s GLN 8 Ca 0.15 -0.89 0.03 0.00 0.02 0.00 0.00 55.36 54.67 2gcf s GLN 8 Cb -0.05 -2.83 0.01 0.00 1.00 0.00 0.00 33.01 31.14 2gcf s GLN 8 CO 0.10 0.17 -0.19 -1.17 -2.12 0.00 0.00 175.29 172.08 2gcf s LEU 9 N -4.13 1.91 0.11 2.90 0.20 -0.25 -0.74 118.68 118.68 2gcf s LEU 9 Ca 0.41 -0.47 -0.14 0.00 0.69 0.00 0.00 54.13 54.63 2gcf s LEU 9 Cb -0.09 -1.20 -0.06 0.00 -0.43 0.00 0.00 46.19 44.40 2gcf s LEU 9 CO 0.31 0.10 0.50 -0.70 -0.29 0.00 0.00 176.35 176.27 2gcf s GLU 10 N 0.55 3.95 0.00 1.98 -6.30 0.62 -4.18 118.70 115.32 2gcf s GLU 10 Ca -0.15 0.44 0.00 0.00 -2.50 0.00 0.00 54.97 52.76 2gcf s GLU 10 Cb -0.17 -3.01 0.00 0.00 0.00 0.00 0.00 34.13 30.95 2gcf s GLU 10 CO 0.05 0.54 0.00 0.41 0.02 0.00 0.00 175.26 176.28 2gcf n GLY 11 N 1.04 1.79 3.18 -1.50 0.00 -1.26 -2.78 105.19 105.67 2gcf n GLY 11 Ca -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2gcf n GLY 11 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2gcf n MET 12 N 0.00 0.00 0.00 1.61 0.00 -1.26 -4.95 117.12 112.52 2gcf n MET 12 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.70 2gcf n MET 12 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33.22 33.22 2gcf n MET 12 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 2gcf n ARG 13 N 6.35 0.00 0.00 3.17 0.63 -1.26 -4.86 116.66 120.69 2gcf n ARG 13 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2gcf n ARG 13 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gcf s ALA 15 N 0.00 -1.44 -1.71 0.00 0.00 -1.26 -5.05 121.76 112.29 2gcf s ALA 15 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 51.96 51.96 2gcf s ALA 15 Cb 0.00 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.88 2gcf s ALA 15 CO 0.00 -0.99 0.26 0.00 0.00 0.00 0.00 175.76 175.02 2gcf n ALA 16 N -0.44 1.70 0.26 0.00 0.00 -1.26 -4.12 120.51 116.65 2gcf n ALA 16 Ca -0.06 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.55 2gcf n ALA 16 Cb 0.60 -1.00 0.84 0.00 0.00 0.00 0.00 19.45 19.89 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 1.49 0.22 0.00 0.00 0.00 -1.94 -3.16 119.26 115.87 2gcf h ALA 18 Ca 0.06 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.56 2gcf h ALA 18 Cb 0.68 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.42 2gcf h ALA 18 CO -0.00 0.17 -0.16 1.03 0.00 0.00 0.00 179.25 180.29 2gcf h SER 19 N 0.01 0.00 0.16 0.00 0.87 -1.39 -1.03 113.55 112.17 2gcf h SER 19 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2gcf h SER 19 Cb 0.79 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 2gcf h SER 19 CO 0.05 0.16 0.00 -0.24 -0.53 0.00 0.00 176.83 176.27 2gcf n SER 20 N -3.34 0.24 0.20 6.23 2.88 -0.67 -1.77 113.62 117.40 2gcf n SER 20 Ca 0.00 0.60 -0.09 0.00 -1.33 0.00 0.00 58.87 58.05 2gcf n SER 20 Cb 0.38 -0.64 -0.04 0.00 -0.75 0.00 0.00 64.21 63.16 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 0.01 -0.53 2.46 2.04 -1.16 -3.33 117.51 117.00 2gcf h ILE 21 Ca 0.00 -0.58 0.11 0.00 1.00 0.00 0.00 64.86 65.39 2gcf h ILE 21 Cb 0.08 0.02 -0.10 0.00 -0.74 0.00 0.00 36.82 36.07 2gcf h ILE 21 CO 0.00 0.00 -0.16 -0.33 0.00 0.00 0.00 178.15 177.66 2gcf h GLU 22 N -1.15 -0.03 0.00 2.37 5.08 -1.42 0.54 114.58 119.97 2gcf h GLU 22 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2gcf h GLU 22 Cb 0.45 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2gcf h GLU 22 CO 0.10 -0.02 0.00 -0.09 -1.00 0.00 0.00 179.01 177.99 2gcf h ARG 23 N -0.04 0.00 0.11 2.33 9.65 -1.68 0.88 114.38 125.63 2gcf h ARG 23 Ca 0.25 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.84 2gcf h ARG 23 Cb 0.42 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.99 2gcf h ARG 23 CO -0.56 0.00 -1.50 0.00 2.80 0.00 0.00 179.97 180.71 2gcf h ALA 24 N 2.11 0.22 0.00 2.80 0.00 -1.06 -3.37 119.26 119.96 2gcf h ALA 24 Ca 0.00 -1.14 -0.05 0.00 0.00 0.00 0.00 54.91 53.72 2gcf h ALA 24 Cb 0.36 0.53 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 2gcf h ALA 24 CO 0.00 0.89 -0.24 0.82 0.00 0.00 0.00 179.25 180.72 2gcf h ILE 25 N -0.29 1.02 0.00 0.00 2.04 -0.75 -1.65 117.51 117.88 2gcf h ILE 25 Ca -0.33 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 64.67 2gcf h ILE 25 Cb 1.77 1.48 0.00 0.00 -0.74 0.00 0.00 36.82 39.34 2gcf h ILE 25 CO 0.05 0.23 0.01 0.00 0.00 0.00 0.00 178.15 178.44 2gcf n ALA 26 N -2.43 1.01 0.57 1.87 0.00 0.27 -0.03 120.51 121.78 2gcf n ALA 26 Ca -0.02 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.48 2gcf n ALA 26 Cb 0.31 -0.69 -0.04 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.89 2.59 -2.72 0.00 5.02 -0.62 -5.01 118.16 116.53 2gcf n LYS 27 Ca 0.00 -0.25 -0.42 0.00 -2.02 0.00 0.00 58.31 55.62 2gcf n LYS 27 Cb 0.01 -1.11 -0.03 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.96 4.83 0.07 -0.18 1.01 0.96 -4.94 120.40 120.19 2gcf s VAL 28 Ca 0.07 2.02 0.31 0.00 0.00 0.00 0.00 61.98 64.38 2gcf s VAL 28 Cb 0.10 -4.30 0.32 0.00 0.00 0.00 0.00 36.38 32.50 2gcf s VAL 28 CO 0.44 0.08 1.95 1.55 0.00 0.00 0.00 175.10 179.11 2gcf h PRO 29 N 6.96 0.00 -0.01 2.72 0.13 -1.91 -0.88 132.00 139.01 2gcf h PRO 29 Ca -0.36 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 2gcf h PRO 29 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2gcf h PRO 29 CO 0.81 0.00 -0.12 0.41 -0.23 0.00 0.00 178.00 178.87 2gcf n GLY 30 N -0.77 -0.67 3.64 1.56 0.00 -1.26 -4.66 105.19 103.03 2gcf n GLY 30 Ca -0.01 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.25 2gcf n GLY 30 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gcf s VAL 31 N -2.34 3.31 -0.03 1.61 0.11 -0.34 -1.97 120.40 120.75 2gcf s VAL 31 Ca 0.31 0.36 0.02 0.00 -2.93 0.00 0.00 61.98 59.74 2gcf s VAL 31 Cb 0.20 -3.30 -0.26 0.00 -1.53 0.00 0.00 36.38 31.49 2gcf s VAL 31 CO 0.45 -0.11 0.72 0.06 -3.33 0.00 0.00 175.10 172.89 2gcf h GLN 32 N 11.54 0.16 0.00 1.54 -0.00 -1.41 -3.48 115.11 123.47 2gcf h GLN 32 Ca -0.41 -0.28 0.00 0.00 -0.00 0.00 0.00 58.65 57.96 2gcf h GLN 32 Cb 1.20 0.10 0.00 0.00 -0.00 0.00 0.00 27.48 28.78 2gcf h GLN 32 CO 0.97 0.94 0.00 0.43 -0.00 0.00 0.00 178.83 181.17 2gcf n SER 33 N -3.33 0.00 -4.46 0.06 7.64 -1.23 -5.04 113.62 107.26 2gcf n SER 33 Ca -0.19 0.00 -0.31 0.00 1.01 0.00 0.00 58.87 59.38 2gcf n SER 33 Cb 1.04 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 64.11 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2gcf s GLN 35 N -1.32 0.04 -0.11 0.00 -0.21 -0.15 -5.02 119.66 112.90 2gcf s GLN 35 Ca 0.14 0.45 0.02 0.00 0.02 0.00 0.00 55.36 55.99 2gcf s GLN 35 Cb -0.11 -0.25 -0.01 0.00 1.00 0.00 0.00 33.01 33.64 2gcf s GLN 35 CO 0.05 -0.24 -0.17 0.54 -2.12 0.00 0.00 175.29 173.35 2gcf s VAL 36 N 1.77 2.75 -0.72 1.09 0.11 -1.26 -0.52 120.40 123.62 2gcf s VAL 36 Ca -0.02 -0.78 -0.18 0.00 -2.93 0.00 0.00 61.98 58.07 2gcf s VAL 36 Cb -0.12 -2.12 0.14 0.00 -1.53 0.00 0.00 36.38 32.75 2gcf s VAL 36 CO -0.05 0.54 0.82 0.21 -3.33 0.00 0.00 175.10 173.29 2gcf s ASN 37 N 0.20 6.42 -1.05 3.54 3.84 0.01 -4.96 114.94 122.93 2gcf s ASN 37 Ca -0.10 -1.86 -0.08 0.00 0.21 0.00 0.00 52.86 51.03 2gcf s ASN 37 Cb -0.16 -2.30 -0.13 0.00 -0.55 0.00 0.00 41.25 38.11 2gcf s ASN 37 CO 0.06 -0.98 2.98 0.33 -2.79 0.00 0.00 177.10 176.70 2gcf n PHE 38 N 5.86 1.56 0.14 0.43 7.35 -1.26 -2.30 117.46 129.23 2gcf n PHE 38 Ca 0.04 -2.44 0.00 0.00 -0.76 0.00 0.00 57.45 54.29 2gcf n PHE 38 Cb 0.45 -2.09 0.00 0.00 0.35 0.00 0.00 39.48 38.19 2gcf n PHE 38 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2gcf n ALA 39 N 3.35 0.00 0.17 3.13 0.00 -1.26 -4.94 120.51 120.96 2gcf n ALA 39 Ca 0.63 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.99 2gcf n ALA 39 Cb 0.40 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.93 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 -3.06 4.19 0.00 0.00 7.94 -1.20 -4.91 117.00 119.97 2gcf n LEU 40 Ca 0.00 -2.18 0.00 0.00 -1.11 0.00 0.00 56.01 52.72 2gcf n LEU 40 Cb 0.00 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.33 2gcf n LEU 40 CO 0.00 0.66 0.00 -0.62 -1.11 0.00 0.00 177.39 176.32 2gcf n GLU 41 N -0.07 0.00 -2.21 1.96 1.02 -0.97 -4.94 120.64 115.42 2gcf n GLU 41 Ca 0.21 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 57.02 2gcf n GLU 41 Cb 0.90 -3.70 -0.00 0.00 -0.02 0.00 0.00 31.44 28.61 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 3.47 0.02 3.49 -2.07 -1.24 -1.09 119.66 122.24 2gcf s GLN 42 Ca 0.00 1.28 0.07 0.00 -1.82 0.00 0.00 55.36 54.89 2gcf s GLN 42 Cb 0.00 -2.05 -0.02 0.00 -1.09 0.00 0.00 33.01 29.85 2gcf s GLN 42 CO 0.00 -0.70 -0.21 0.00 -1.32 0.00 0.00 175.29 173.06 2gcf s ALA 43 N -2.26 1.77 -0.09 2.60 0.00 0.27 -0.81 121.76 123.23 2gcf s ALA 43 Ca 0.65 -1.00 0.03 0.00 0.00 0.00 0.00 51.96 51.65 2gcf s ALA 43 Cb -0.17 -0.39 0.01 0.00 0.00 0.00 0.00 23.12 22.57 2gcf s ALA 43 CO 0.31 0.41 -0.18 0.54 0.00 0.00 0.00 175.76 176.84 2gcf s VAL 44 N -0.66 1.61 -0.10 0.00 0.11 0.32 -1.59 120.40 120.08 2gcf s VAL 44 Ca 0.08 -0.75 -0.10 0.00 -2.93 0.00 0.00 61.98 58.29 2gcf s VAL 44 Cb -0.08 -1.42 0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2gcf s VAL 44 CO 0.01 0.46 0.28 -0.69 -3.33 0.00 0.00 175.10 171.82 2gcf s VAL 45 N 0.58 -0.00 -0.13 2.04 1.01 -0.65 -0.98 120.40 122.27 2gcf s VAL 45 Ca -0.15 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 61.82 2gcf s VAL 45 Cb -0.17 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.80 2gcf s VAL 45 CO 0.05 0.00 -0.10 -0.55 0.00 0.00 0.00 175.10 174.50 2gcf s SER 46 N 0.16 4.25 -0.19 3.32 0.15 -1.17 -1.35 113.70 118.87 2gcf s SER 46 Ca -0.00 -0.26 0.09 0.00 0.70 0.00 0.00 55.95 56.48 2gcf s SER 46 Cb -0.02 -1.64 0.26 0.00 -1.71 0.00 0.00 66.02 62.91 2gcf s SER 46 CO 0.00 0.17 1.29 0.00 1.20 0.00 0.00 173.24 175.91 2gcf n TYR 47 N 3.48 -0.98 -3.49 3.44 4.11 -1.17 -0.98 117.16 121.56 2gcf n TYR 47 Ca -0.18 -1.22 -0.27 0.00 -0.00 0.00 0.00 57.90 56.23 2gcf n TYR 47 Cb 0.53 0.97 -0.13 0.00 -0.00 0.00 0.00 39.34 40.70 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 -0.17 0.26 -0.45 -3.48 3.76 -0.83 -4.49 115.29 109.89 2gcf s HIS 48 Ca 0.08 -0.94 0.26 0.00 -0.15 0.00 0.00 55.06 54.31 2gcf s HIS 48 Cb 0.27 -0.82 0.77 0.00 1.11 0.00 0.00 32.58 33.91 2gcf s HIS 48 CO -0.08 -0.85 1.75 0.78 -0.85 0.00 0.00 174.74 175.49 2gcf h GLY 49 N 8.03 0.00 0.00 -2.22 0.00 -1.83 0.15 103.07 107.20 2gcf h GLY 49 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2gcf h GLY 49 CO 0.38 0.00 0.00 -1.84 0.00 0.00 0.00 176.54 175.08 2gcf n GLU 50 N -2.69 0.00 -3.65 4.80 0.00 -1.26 -4.01 120.64 113.83 2gcf n GLU 50 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 57.16 57.15 2gcf n GLU 50 Cb 0.41 0.00 -0.06 0.00 0.00 0.00 0.00 31.44 31.79 2gcf n GLU 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2gcf s THR 51 N 0.69 -0.60 -0.01 3.84 2.01 -1.26 -0.68 115.64 119.63 2gcf s THR 51 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.07 2gcf s THR 51 Cb 0.00 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.55 2gcf s THR 51 CO 0.00 0.01 -0.14 0.42 -0.69 0.00 0.00 174.62 174.22 2gcf s THR 52 N 2.39 3.08 1.02 -0.82 -4.23 -1.26 -5.04 115.64 110.78 2gcf s THR 52 Ca -0.07 -0.88 -0.17 0.00 -1.18 0.00 0.00 61.69 59.39 2gcf s THR 52 Cb -0.10 -2.26 0.23 0.00 1.34 0.00 0.00 72.50 71.71 2gcf s THR 52 CO -0.18 0.47 1.32 -2.16 -0.54 0.00 0.00 174.62 173.53 2gcf s PRO 53 N -1.08 0.17 0.00 3.99 0.04 -1.26 -4.95 135.00 131.91 2gcf s PRO 53 Ca 0.14 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.71 2gcf s PRO 53 Cb -0.11 -1.80 0.00 0.00 0.04 0.00 0.00 34.50 32.64 2gcf s PRO 53 CO 0.03 -2.73 0.12 0.00 0.04 0.00 0.00 177.00 174.47 2gcf n GLN 54 N -3.97 0.15 0.32 4.56 0.00 -1.26 -3.56 117.38 113.62 2gcf n GLN 54 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 57.00 57.35 2gcf n GLN 54 Cb 0.59 -1.03 0.99 0.00 0.00 0.00 0.00 30.24 30.79 2gcf n GLN 54 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2gcf h ILE 55 N 0.00 0.00 -0.65 -0.39 1.08 -1.99 -0.67 117.51 114.89 2gcf h ILE 55 Ca 0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.54 2gcf h ILE 55 Cb 0.03 0.81 -0.04 0.00 -3.07 0.00 0.00 36.82 34.55 2gcf h ILE 55 CO 0.00 0.00 0.43 0.17 -0.69 0.00 0.00 178.15 178.06 2gcf h LEU 56 N 0.00 0.54 0.01 1.44 8.10 -1.95 -2.05 115.31 121.40 2gcf h LEU 56 Ca 0.00 0.00 -0.28 0.00 0.11 0.00 0.00 57.88 57.71 2gcf h LEU 56 Cb 0.30 -0.11 -0.04 0.00 -0.44 0.00 0.00 40.66 40.36 2gcf h LEU 56 CO 0.00 0.35 -1.57 0.71 -4.11 0.00 0.00 178.44 173.81 2gcf h THR 57 N 0.61 1.02 -0.87 0.15 1.35 -1.46 -3.36 112.91 110.34 2gcf h THR 57 Ca 0.28 -2.83 0.14 0.00 -0.55 0.00 0.00 66.41 63.45 2gcf h THR 57 Cb 0.32 2.52 -0.09 0.00 -1.73 0.00 0.00 68.15 69.18 2gcf h THR 57 CO -0.09 0.61 0.48 -0.78 -0.25 0.00 0.00 175.52 175.50 2gcf h ASP 58 N 0.01 0.63 0.00 5.36 3.58 -0.99 0.19 116.42 125.19 2gcf h ASP 58 Ca -0.24 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.29 2gcf h ASP 58 Cb 1.97 -0.03 0.00 0.00 1.72 0.00 0.00 39.33 42.98 2gcf h ASP 58 CO 0.09 0.29 0.00 0.00 -2.88 0.00 0.00 179.24 176.75 2gcf n ALA 59 N -2.40 1.86 -0.09 -0.78 0.00 -0.85 -0.92 120.51 117.34 2gcf n ALA 59 Ca 0.17 -0.05 -0.11 0.00 0.00 0.00 0.00 53.44 53.44 2gcf n ALA 59 Cb 0.40 -1.14 -0.11 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.92 1.17 0.26 0.00 0.31 0.62 -4.49 118.33 115.27 2gcf n VAL 60 Ca 0.06 -0.59 0.12 0.00 -0.01 0.00 0.00 64.34 63.93 2gcf n VAL 60 Cb 0.03 -0.89 0.69 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.00 0.00 -0.43 5.55 4.39 -0.66 -2.20 114.58 121.23 2gcf h GLU 61 Ca -0.46 0.00 0.12 0.00 0.34 0.00 0.00 59.36 59.36 2gcf h GLU 61 Cb 1.88 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.51 2gcf h GLU 61 CO -0.02 0.14 0.65 0.07 -1.16 0.00 0.00 179.01 178.69 2gcf h ARG 62 N 0.00 0.00 -0.01 2.33 -0.00 -1.25 0.13 114.38 115.58 2gcf h ARG 62 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2gcf h ARG 62 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.34 2gcf h ARG 62 CO 0.02 0.00 -0.28 0.00 -0.00 0.00 0.00 179.97 179.71 2gcf n ALA 63 N -2.14 3.02 -0.98 0.08 0.00 -0.86 -4.96 120.51 114.67 2gcf n ALA 63 Ca 0.08 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.02 2gcf n ALA 63 Cb 0.81 -0.48 0.00 0.00 0.00 0.00 0.00 19.45 19.79 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 1.04 0.70 3.95 0.00 0.00 0.03 -5.05 105.19 105.86 2gcf n GLY 64 Ca 0.06 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.79 3.31 0.12 1.61 2.02 -1.02 -4.92 117.35 115.68 2gcf s TYR 65 Ca 0.00 0.32 0.06 0.00 -0.37 0.00 0.00 57.07 57.08 2gcf s TYR 65 Cb 0.00 -2.23 -0.04 0.00 -0.40 0.00 0.00 41.96 39.29 2gcf s TYR 65 CO 0.00 -0.26 -0.14 -1.01 -1.57 0.00 0.00 175.55 172.57 2gcf s HIS 66 N -2.53 1.42 0.12 2.71 3.76 -1.12 -2.85 115.29 116.80 2gcf s HIS 66 Ca 0.46 -0.54 -0.30 0.00 -0.15 0.00 0.00 55.06 54.53 2gcf s HIS 66 Cb -0.10 -0.75 -0.06 0.00 1.11 0.00 0.00 32.58 32.78 2gcf s HIS 66 CO 0.38 0.15 1.07 0.00 -0.85 0.00 0.00 174.74 175.49 2gcf s ALA 67 N -2.05 3.32 -0.03 -1.40 0.00 -1.26 -0.27 121.76 120.07 2gcf s ALA 67 Ca 0.08 0.73 0.02 0.00 0.00 0.00 0.00 51.96 52.80 2gcf s ALA 67 Cb -0.05 -3.35 0.01 0.00 0.00 0.00 0.00 23.12 19.72 2gcf s ALA 67 CO 0.03 -0.21 -0.07 -0.98 0.00 0.00 0.00 175.76 174.53 2gcf s ARG 68 N 0.15 0.84 0.30 0.00 1.70 0.08 -4.85 118.95 117.18 2gcf s ARG 68 Ca 0.51 -0.24 -0.29 0.00 -0.47 0.00 0.00 55.73 55.24 2gcf s ARG 68 Cb -0.27 -0.80 -0.10 0.00 -0.57 0.00 0.00 34.95 33.21 2gcf s ARG 68 CO 0.32 0.07 1.12 0.14 -1.08 0.00 0.00 175.30 175.87 2gcf s VAL 69 N 0.32 3.40 0.07 4.99 -7.23 -1.26 -0.58 120.40 120.11 2gcf s VAL 69 Ca -0.04 1.38 -0.10 0.00 -1.81 0.00 0.00 61.98 61.40 2gcf s VAL 69 Cb -0.09 -3.86 -0.06 0.00 0.56 0.00 0.00 36.38 32.93 2gcf s VAL 69 CO 0.00 0.30 0.39 -1.48 -0.31 0.00 0.00 175.10 174.01 2gcf s LEU 70 N -1.61 4.36 -1.38 1.32 0.05 -1.26 -4.74 118.68 115.42 2gcf s LEU 70 Ca 0.46 0.79 -0.11 0.00 0.05 0.00 0.00 54.13 55.32 2gcf s LEU 70 Cb -0.32 -2.94 -0.06 0.00 -2.05 0.00 0.00 46.19 40.82 2gcf s LEU 70 CO 0.41 0.19 2.53 2.29 -0.55 0.00 0.00 176.35 181.22 2gcf n LYS 71 N 0.97 3.00 -4.40 1.48 2.85 -1.26 -4.89 118.16 115.91 2gcf n LYS 71 Ca -0.08 -2.14 -0.25 0.00 -1.05 0.00 0.00 58.31 54.79 2gcf n LYS 71 Cb 0.52 -2.87 -0.11 0.00 -0.65 0.00 0.00 35.03 31.92 2gcf n LYS 71 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 177.40 178.49 2gcf s GLN 72 N 2.90 1.46 0.00 -1.58 -2.07 -1.26 -5.30 119.66 113.81 2gcf s GLN 72 Ca 0.57 -1.51 0.00 0.00 -1.82 0.00 0.00 55.36 52.60 2gcf s GLN 72 Cb 0.15 -1.68 0.00 0.00 -1.09 0.00 0.00 33.01 30.40 2gcf s GLN 72 CO -0.05 0.35 0.00 0.94 -1.32 0.00 0.00 175.29 175.21