#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 -0.60 -1.19 3.17 0.00 -1.26 -4.89 120.51 115.75 2gcf n ALA 2 Ca 0.00 0.18 -0.20 0.00 0.00 0.00 0.00 53.44 53.42 2gcf n ALA 2 Cb 0.00 -2.07 -0.12 0.00 0.00 0.00 0.00 19.45 17.26 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 -2.88 2.46 -3.51 0.00 0.00 -1.26 -4.94 117.38 107.25 2gcf n GLN 3 Ca -0.23 -1.55 -0.38 0.00 0.00 0.00 0.00 57.00 54.85 2gcf n GLN 3 Cb 0.67 -2.18 -0.06 0.00 0.00 0.00 0.00 30.24 28.67 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 0.48 5.10 0.06 -0.39 -1.32 -1.26 -4.57 115.64 113.74 2gcf s THR 4 Ca 0.65 0.79 -0.29 0.00 -1.21 0.00 0.00 61.69 61.63 2gcf s THR 4 Cb 0.30 -3.70 -0.05 0.00 -1.51 0.00 0.00 72.50 67.55 2gcf s THR 4 CO -0.05 0.54 0.94 -0.63 -2.21 0.00 0.00 174.62 173.20 2gcf s ILE 5 N -0.76 4.67 -0.18 5.08 -1.09 -0.22 -4.87 121.20 123.82 2gcf s ILE 5 Ca 0.23 2.00 -0.00 0.00 -2.23 0.00 0.00 60.65 60.65 2gcf s ILE 5 Cb -0.16 -4.29 0.05 0.00 -1.58 0.00 0.00 42.46 36.48 2gcf s ILE 5 CO 0.12 0.27 -0.05 0.54 -1.23 0.00 0.00 174.94 174.58 2gcf s ASN 6 N 0.36 3.10 0.31 3.58 6.03 -1.26 -0.95 114.94 126.11 2gcf s ASN 6 Ca 0.47 -0.80 -0.04 0.00 -1.03 0.00 0.00 52.86 51.46 2gcf s ASN 6 Cb -0.22 -0.98 -0.00 0.00 -3.03 0.00 0.00 41.25 37.02 2gcf s ASN 6 CO 0.28 -0.20 0.45 -1.48 -2.03 0.00 0.00 177.10 174.12 2gcf s LEU 7 N 1.58 0.89 0.25 3.54 2.34 -0.68 -4.73 118.68 121.86 2gcf s LEU 7 Ca -0.01 -1.37 0.05 0.00 0.06 0.00 0.00 54.13 52.87 2gcf s LEU 7 Cb -0.16 1.43 -0.03 0.00 -0.56 0.00 0.00 46.19 46.87 2gcf s LEU 7 CO -0.07 -1.23 0.36 -1.10 -1.06 0.00 0.00 176.35 173.25 2gcf s GLN 8 N -3.34 3.37 0.14 1.48 -0.21 0.15 -0.87 119.66 120.38 2gcf s GLN 8 Ca 0.30 -0.81 0.10 0.00 0.02 0.00 0.00 55.36 54.97 2gcf s GLN 8 Cb 0.00 -2.86 -0.04 0.00 1.00 0.00 0.00 33.01 31.11 2gcf s GLN 8 CO 0.17 0.38 -0.25 -1.17 -2.12 0.00 0.00 175.29 172.31 2gcf s LEU 9 N -3.99 2.35 0.13 2.90 2.96 0.21 -1.21 118.68 122.02 2gcf s LEU 9 Ca 0.35 -0.77 0.04 0.00 -0.22 0.00 0.00 54.13 53.53 2gcf s LEU 9 Cb -0.09 -1.11 -0.04 0.00 0.50 0.00 0.00 46.19 45.45 2gcf s LEU 9 CO 0.29 0.13 -0.09 -0.70 -1.32 0.00 0.00 176.35 174.65 2gcf s GLU 10 N -2.20 0.98 0.00 1.98 -6.30 0.29 -4.76 118.70 108.69 2gcf s GLU 10 Ca 0.14 -1.38 0.00 0.00 -2.50 0.00 0.00 54.97 51.22 2gcf s GLU 10 Cb -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 34.13 33.52 2gcf s GLU 10 CO 0.06 0.05 0.00 0.41 0.02 0.00 0.00 175.26 175.81 2gcf n GLY 11 N -0.06 1.39 0.94 -1.50 0.00 -1.26 -1.26 105.19 103.45 2gcf n GLY 11 Ca -0.11 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 -0.52 -2.55 1.61 2.81 -1.26 -4.82 117.12 112.39 2gcf n MET 12 Ca 0.00 0.00 -0.43 0.00 -1.81 0.00 0.00 57.70 55.46 2gcf n MET 12 Cb 0.00 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 32.51 2gcf n MET 12 CO 0.00 0.00 0.00 -2.13 1.51 0.00 0.00 175.97 175.35 2gcf n ARG 13 N -0.34 3.19 0.00 0.03 0.00 -1.26 -4.79 116.66 113.49 2gcf n ARG 13 Ca 0.00 -3.28 0.00 0.00 -0.00 0.00 0.00 57.85 54.57 2gcf n ARG 13 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 32.46 29.01 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gcf n ALA 15 N -1.50 1.94 -1.00 0.00 0.00 -1.26 -4.18 120.51 114.51 2gcf n ALA 15 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.42 2gcf n ALA 15 Cb 0.00 -1.06 0.00 0.00 0.00 0.00 0.00 19.45 18.39 2gcf n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n ALA 16 N -0.64 0.00 0.24 0.00 0.00 -1.26 -4.44 120.51 114.41 2gcf n ALA 16 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.59 2gcf n ALA 16 Cb 0.01 0.00 0.58 0.00 0.00 0.00 0.00 19.45 20.04 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 2.08 -1.26 0.00 0.00 0.00 -1.80 -2.61 119.26 115.67 2gcf h ALA 18 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2gcf h ALA 18 Cb 0.12 0.43 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2gcf h ALA 18 CO 0.00 -1.19 0.00 0.45 0.00 0.00 0.00 179.25 178.51 2gcf n SER 19 N -4.80 0.57 0.01 0.00 2.88 -1.24 -1.32 113.62 109.72 2gcf n SER 19 Ca -0.13 0.64 0.06 0.00 -1.33 0.00 0.00 58.87 58.11 2gcf n SER 19 Cb 0.40 -0.76 0.28 0.00 -0.75 0.00 0.00 64.21 63.39 2gcf n SER 19 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2gcf n SER 20 N -2.13 0.05 0.19 -3.46 2.88 -1.00 -1.47 113.62 108.69 2gcf n SER 20 Ca 0.02 0.51 -0.08 0.00 -1.33 0.00 0.00 58.87 58.00 2gcf n SER 20 Cb 0.23 -0.53 -0.04 0.00 -0.75 0.00 0.00 64.21 63.12 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 -0.29 2.46 2.04 -1.03 -3.26 117.51 117.43 2gcf h ILE 21 Ca 0.00 -0.40 0.07 0.00 1.00 0.00 0.00 64.86 65.53 2gcf h ILE 21 Cb 0.22 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.22 2gcf h ILE 21 CO 0.00 0.00 -0.22 -0.33 0.00 0.00 0.00 178.15 177.60 2gcf h GLU 22 N -0.94 -0.19 0.00 2.37 5.08 -1.56 0.18 114.58 119.51 2gcf h GLU 22 Ca -0.06 0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2gcf h GLU 22 Cb 0.42 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.71 2gcf h GLU 22 CO 0.09 -0.13 -0.02 -0.09 -1.00 0.00 0.00 179.01 177.86 2gcf h ARG 23 N -0.20 0.00 0.09 2.33 2.43 -1.44 -0.05 114.38 117.54 2gcf h ARG 23 Ca 0.15 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.04 2gcf h ARG 23 Cb 0.44 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.98 2gcf h ARG 23 CO -0.41 0.02 -1.52 0.00 -1.51 0.00 0.00 179.97 176.54 2gcf h ALA 24 N 1.98 0.26 0.00 2.80 0.00 -1.16 -3.38 119.26 119.77 2gcf h ALA 24 Ca -0.00 -1.19 -0.04 0.00 0.00 0.00 0.00 54.91 53.68 2gcf h ALA 24 Cb 0.05 0.59 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2gcf h ALA 24 CO 0.00 0.92 -0.18 0.82 0.00 0.00 0.00 179.25 180.81 2gcf h ILE 25 N -0.36 0.89 0.00 0.00 2.04 -0.36 -2.01 117.51 117.71 2gcf h ILE 25 Ca -0.34 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 64.85 2gcf h ILE 25 Cb 1.73 1.39 0.00 0.00 -0.74 0.00 0.00 36.82 39.20 2gcf h ILE 25 CO 0.01 0.18 0.07 0.00 0.00 0.00 0.00 178.15 178.40 2gcf n ALA 26 N -2.40 0.87 0.38 1.87 0.00 -0.06 -0.09 120.51 121.09 2gcf n ALA 26 Ca -0.02 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.52 2gcf n ALA 26 Cb 0.26 -0.67 -0.14 0.00 0.00 0.00 0.00 19.45 18.90 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 -1.04 0.49 -2.44 0.00 4.01 -0.75 -4.98 118.16 113.44 2gcf n LYS 27 Ca 0.00 -0.11 -0.42 0.00 -0.51 0.00 0.00 58.31 57.26 2gcf n LYS 27 Cb 0.07 -1.48 -0.03 0.00 -0.51 0.00 0.00 35.03 33.08 2gcf n LYS 27 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2gcf s VAL 28 N -3.24 4.21 0.47 -0.18 1.01 0.88 -4.94 120.40 118.60 2gcf s VAL 28 Ca -0.01 1.54 0.22 0.00 0.00 0.00 0.00 61.98 63.73 2gcf s VAL 28 Cb 0.14 -3.99 0.26 0.00 0.00 0.00 0.00 36.38 32.79 2gcf s VAL 28 CO 0.86 0.01 2.08 1.55 0.00 0.00 0.00 175.10 179.60 2gcf h PRO 29 N 7.42 0.00 0.00 2.72 0.13 -1.86 -2.18 132.00 138.23 2gcf h PRO 29 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 2gcf h PRO 29 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 2gcf h PRO 29 CO 0.87 0.12 0.00 0.41 -0.23 0.00 0.00 178.00 179.17 2gcf n GLY 30 N -0.99 -1.00 3.56 1.56 0.00 -1.26 -4.85 105.19 102.21 2gcf n GLY 30 Ca -0.02 -0.03 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.00 3.22 -0.82 1.61 0.11 -0.82 -2.49 120.40 119.22 2gcf s VAL 31 Ca 0.08 0.15 0.12 0.00 -2.93 0.00 0.00 61.98 59.40 2gcf s VAL 31 Cb 0.04 -3.53 0.37 0.00 -1.53 0.00 0.00 36.38 31.73 2gcf s VAL 31 CO 0.06 -0.50 1.31 0.00 -3.33 0.00 0.00 175.10 172.64 2gcf n GLN 32 N 9.03 2.91 0.00 1.54 -0.00 0.18 -4.99 117.38 126.06 2gcf n GLN 32 Ca 0.27 -2.25 0.00 0.00 -0.00 0.00 0.00 57.00 55.02 2gcf n GLN 32 Cb 0.52 -1.41 0.00 0.00 -0.00 0.00 0.00 30.24 29.35 2gcf n GLN 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2gcf n SER 33 N 0.37 0.00 -4.70 2.61 2.88 -1.23 -4.85 113.62 108.71 2gcf n SER 33 Ca 0.14 0.00 -0.35 0.00 -1.33 0.00 0.00 58.87 57.33 2gcf n SER 33 Cb 0.54 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.91 2gcf n SER 33 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2gcf s GLN 35 N 0.43 0.08 0.15 0.00 1.11 -0.78 -5.05 119.66 115.60 2gcf s GLN 35 Ca 0.07 0.62 0.07 0.00 0.01 0.00 0.00 55.36 56.13 2gcf s GLN 35 Cb -0.12 -0.21 -0.04 0.00 -1.01 0.00 0.00 33.01 31.63 2gcf s GLN 35 CO -0.01 -0.31 -0.02 0.54 0.01 0.00 0.00 175.29 175.50 2gcf s VAL 36 N 2.34 3.66 -0.35 1.09 0.11 -1.26 -0.45 120.40 125.54 2gcf s VAL 36 Ca 0.03 -1.37 0.01 0.00 -2.93 0.00 0.00 61.98 57.72 2gcf s VAL 36 Cb -0.12 -2.81 0.11 0.00 -1.53 0.00 0.00 36.38 32.03 2gcf s VAL 36 CO -0.07 -0.05 0.12 0.21 -3.33 0.00 0.00 175.10 171.98 2gcf s ASN 37 N -2.74 4.12 0.00 3.54 3.84 0.04 -5.00 114.94 118.75 2gcf s ASN 37 Ca 0.26 -2.00 0.00 0.00 0.21 0.00 0.00 52.86 51.33 2gcf s ASN 37 Cb -0.10 -1.09 0.00 0.00 -0.55 0.00 0.00 41.25 39.51 2gcf s ASN 37 CO 0.17 -0.37 1.58 0.33 -2.79 0.00 0.00 177.10 176.02 2gcf n PHE 38 N 4.40 0.00 0.00 0.43 7.35 -1.26 -1.55 117.46 126.82 2gcf n PHE 38 Ca 0.02 -0.79 0.00 0.00 -0.76 0.00 0.00 57.45 55.92 2gcf n PHE 38 Cb 0.40 -0.41 0.00 0.00 0.35 0.00 0.00 39.48 39.82 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 1.27 1.05 -1.19 3.13 0.00 -1.26 -4.91 120.51 118.60 2gcf n ALA 39 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 2gcf n ALA 39 Cb 0.46 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.01 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 -0.59 1.80 0.00 0.00 7.94 -1.13 -5.03 117.00 119.99 2gcf n LEU 40 Ca 0.00 -2.52 0.00 0.00 -1.11 0.00 0.00 56.01 52.38 2gcf n LEU 40 Cb 0.00 -0.30 0.00 0.00 0.53 0.00 0.00 43.42 43.65 2gcf n LEU 40 CO 0.00 0.59 0.00 -0.62 -1.11 0.00 0.00 177.39 176.25 2gcf n GLU 41 N -1.05 0.00 -2.39 1.96 1.02 -0.60 -4.97 120.64 114.62 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 0.62 -3.17 -0.02 0.00 -0.02 0.00 0.00 31.44 28.86 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 -0.04 3.59 -0.04 3.49 0.00 -1.24 -0.62 119.66 124.80 2gcf s GLN 42 Ca 0.00 1.43 0.06 0.00 -0.00 0.00 0.00 55.36 56.85 2gcf s GLN 42 Cb 0.00 -2.06 -0.02 0.00 0.00 0.00 0.00 33.01 30.93 2gcf s GLN 42 CO 0.00 -0.62 -0.22 0.00 0.00 0.00 0.00 175.29 174.45 2gcf s ALA 43 N -1.97 2.33 -0.14 2.60 0.00 -0.04 -0.78 121.76 123.76 2gcf s ALA 43 Ca 0.69 -1.06 0.01 0.00 0.00 0.00 0.00 51.96 51.60 2gcf s ALA 43 Cb -0.19 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.23 2gcf s ALA 43 CO 0.24 0.51 -0.14 0.54 0.00 0.00 0.00 175.76 176.91 2gcf s VAL 44 N -0.53 1.54 -0.22 0.00 0.11 0.41 -1.69 120.40 120.01 2gcf s VAL 44 Ca 0.07 -0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 58.38 2gcf s VAL 44 Cb -0.11 -1.44 0.07 0.00 -1.53 0.00 0.00 36.38 33.37 2gcf s VAL 44 CO 0.01 0.45 0.53 -0.69 -3.33 0.00 0.00 175.10 172.07 2gcf s VAL 45 N 1.39 -0.11 -0.33 2.04 1.01 -0.12 -1.87 120.40 122.41 2gcf s VAL 45 Ca 0.03 0.06 -0.14 0.00 0.00 0.00 0.00 61.98 61.92 2gcf s VAL 45 Cb -0.13 -0.79 -0.02 0.00 0.00 0.00 0.00 36.38 35.44 2gcf s VAL 45 CO -0.09 0.02 0.31 -0.55 0.00 0.00 0.00 175.10 174.79 2gcf s SER 46 N 1.66 6.13 -0.16 3.32 0.15 -1.26 -1.06 113.70 122.49 2gcf s SER 46 Ca -0.09 -0.23 0.15 0.00 0.70 0.00 0.00 55.95 56.48 2gcf s SER 46 Cb -0.08 -2.17 0.35 0.00 -1.71 0.00 0.00 66.02 62.41 2gcf s SER 46 CO -0.16 -0.26 1.18 0.00 1.20 0.00 0.00 173.24 175.20 2gcf n TYR 47 N 5.26 0.00 -4.57 3.44 0.18 -1.23 -0.64 117.16 119.59 2gcf n TYR 47 Ca -0.11 -1.19 -0.26 0.00 1.88 0.00 0.00 57.90 58.22 2gcf n TYR 47 Cb 0.50 -0.19 -0.11 0.00 -0.38 0.00 0.00 39.34 39.16 2gcf n TYR 47 CO 0.00 0.00 0.00 -1.01 -2.08 0.00 0.00 176.86 173.77 2gcf s HIS 48 N -2.88 2.38 0.00 -3.48 3.76 -1.04 -4.01 115.29 110.02 2gcf s HIS 48 Ca 0.34 -0.72 0.00 0.00 -0.15 0.00 0.00 55.06 54.53 2gcf s HIS 48 Cb 0.32 -1.63 0.00 0.00 1.11 0.00 0.00 32.58 32.38 2gcf s HIS 48 CO -0.02 0.36 0.00 0.41 -0.85 0.00 0.00 174.74 174.64 2gcf n GLY 49 N -0.89 2.31 2.18 -2.22 0.00 -1.26 -4.50 105.19 100.81 2gcf n GLY 49 Ca -0.04 -1.92 -0.07 0.00 0.00 0.00 0.00 46.02 43.99 2gcf n GLY 49 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2gcf n GLU 50 N 0.00 1.22 0.00 1.61 4.71 -1.26 -4.57 120.64 122.35 2gcf n GLU 50 Ca 0.00 -0.60 0.00 0.00 -0.01 0.00 0.00 57.16 56.55 2gcf n GLU 50 Cb 0.00 -1.79 0.00 0.00 -1.01 0.00 0.00 31.44 28.64 2gcf n GLU 50 CO 0.00 0.00 0.00 -2.37 0.09 0.00 0.00 177.13 174.85 2gcf n THR 51 N 2.66 0.00 -3.48 2.62 5.66 -1.26 -5.16 114.28 115.32 2gcf n THR 51 Ca 0.26 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.83 2gcf n THR 51 Cb 0.56 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.27 2gcf n THR 51 CO 0.00 0.00 0.00 0.28 -3.05 0.00 0.00 175.07 172.30 2gcf s THR 52 N -0.36 4.57 -0.20 1.09 -1.32 -1.26 -4.73 115.64 113.42 2gcf s THR 52 Ca 0.00 -1.83 -0.29 0.00 -1.21 0.00 0.00 61.69 58.36 2gcf s THR 52 Cb 0.00 -3.97 -0.04 0.00 -1.51 0.00 0.00 72.50 66.98 2gcf s THR 52 CO 0.00 -0.83 1.82 -2.16 -2.21 0.00 0.00 174.62 171.24 2gcf s PRO 53 N 1.25 3.63 0.00 7.08 0.04 -1.26 -4.87 135.00 140.87 2gcf s PRO 53 Ca 0.07 1.83 0.11 0.00 0.04 0.00 0.00 61.00 63.05 2gcf s PRO 53 Cb -0.26 -4.15 0.65 0.00 0.04 0.00 0.00 34.50 30.79 2gcf s PRO 53 CO -0.01 -1.51 1.14 0.00 0.04 0.00 0.00 177.00 176.66 2gcf n GLN 54 N 8.00 0.32 0.29 4.56 10.64 -1.26 -1.72 117.38 138.21 2gcf n GLN 54 Ca 0.22 0.03 0.10 0.00 -1.83 0.00 0.00 57.00 55.52 2gcf n GLN 54 Cb 0.45 -1.50 0.54 0.00 -0.86 0.00 0.00 30.24 28.86 2gcf n GLN 54 CO 0.00 0.00 0.00 0.82 -1.83 0.00 0.00 177.06 176.05 2gcf h ILE 55 N 0.00 0.00 -0.90 -0.39 2.04 -1.99 -1.17 117.51 115.10 2gcf h ILE 55 Ca 0.00 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.11 2gcf h ILE 55 Cb 0.02 0.44 -0.15 0.00 -0.74 0.00 0.00 36.82 36.38 2gcf h ILE 55 CO 0.00 0.00 0.20 0.17 0.00 0.00 0.00 178.15 178.52 2gcf h LEU 56 N 0.00 -0.10 0.33 1.44 8.10 -1.72 -0.09 115.31 123.28 2gcf h LEU 56 Ca 0.00 0.22 -0.02 0.00 0.11 0.00 0.00 57.88 58.19 2gcf h LEU 56 Cb 0.95 0.31 0.00 0.00 -0.44 0.00 0.00 40.66 41.48 2gcf h LEU 56 CO 0.00 -0.21 -0.16 0.74 -4.11 0.00 0.00 178.44 174.70 2gcf h THR 57 N 0.15 0.11 -0.80 0.15 2.02 -1.50 -3.30 112.91 109.74 2gcf h THR 57 Ca 0.57 -0.71 0.19 0.00 0.77 0.00 0.00 66.41 67.23 2gcf h THR 57 Cb 1.18 0.19 -0.14 0.00 -1.74 0.00 0.00 68.15 67.65 2gcf h THR 57 CO -0.72 0.03 0.07 -0.78 0.37 0.00 0.00 175.52 174.50 2gcf h ASP 58 N -1.09 -0.25 0.39 4.18 3.58 -1.57 -1.17 116.42 120.49 2gcf h ASP 58 Ca -0.05 0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2gcf h ASP 58 Cb 0.39 0.33 0.00 0.00 1.72 0.00 0.00 39.33 41.77 2gcf h ASP 58 CO 0.07 -0.18 -0.04 0.00 -2.88 0.00 0.00 179.24 176.22 2gcf n ALA 59 N -2.88 2.63 0.01 -0.78 0.00 -0.07 -0.86 120.51 118.55 2gcf n ALA 59 Ca 0.16 -0.21 -0.22 0.00 0.00 0.00 0.00 53.44 53.18 2gcf n ALA 59 Cb 0.54 -1.43 -0.14 0.00 0.00 0.00 0.00 19.45 18.42 2gcf n ALA 59 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2gcf h VAL 60 N 0.26 0.81 0.00 0.00 -1.51 -1.31 -3.40 116.25 111.10 2gcf h VAL 60 Ca 0.00 -2.38 -0.03 0.00 -1.23 0.00 0.00 66.70 63.07 2gcf h VAL 60 Cb 0.27 2.58 -0.00 0.00 -2.13 0.00 0.00 31.29 32.01 2gcf h VAL 60 CO 0.00 0.80 -0.14 -0.08 -1.23 0.00 0.00 177.57 176.92 2gcf h GLU 61 N -0.10 0.00 -0.14 5.19 4.57 -0.90 -1.35 114.58 121.85 2gcf h GLU 61 Ca -0.37 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 57.85 2gcf h GLU 61 Cb 1.93 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 30.51 2gcf h GLU 61 CO 0.08 0.14 0.41 0.07 -1.18 0.00 0.00 179.01 178.52 2gcf h ARG 62 N 0.00 0.00 0.00 1.92 -0.00 -1.20 0.11 114.38 115.20 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 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.26 2gcf h ARG 62 CO 0.02 0.00 -0.59 0.00 -0.00 0.00 0.00 179.97 179.40 2gcf n ALA 63 N -2.01 3.44 -0.77 0.08 0.00 -0.52 -4.92 120.51 115.80 2gcf n ALA 63 Ca 0.01 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 53.11 2gcf n ALA 63 Cb 0.50 -1.11 0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.45 0.80 3.53 0.00 0.00 0.37 -4.80 105.19 106.55 2gcf n GLY 64 Ca 0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.05 3.03 0.34 1.61 2.02 -1.15 -4.77 117.35 115.38 2gcf s TYR 65 Ca 0.00 -0.19 0.05 0.00 -0.37 0.00 0.00 57.07 56.56 2gcf s TYR 65 Cb 0.00 -1.91 -0.01 0.00 -0.40 0.00 0.00 41.96 39.64 2gcf s TYR 65 CO 0.00 0.07 0.48 -1.01 -1.57 0.00 0.00 175.55 173.53 2gcf s HIS 66 N 0.06 3.18 -0.03 2.71 3.76 -0.39 -2.72 115.29 121.87 2gcf s HIS 66 Ca 0.00 -0.12 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 2gcf s HIS 66 Cb -0.13 -1.98 -0.04 0.00 1.11 0.00 0.00 32.58 31.53 2gcf s HIS 66 CO 0.03 0.00 0.22 0.00 -0.85 0.00 0.00 174.74 174.14 2gcf s ALA 67 N -2.20 3.88 0.01 -1.40 0.00 -1.26 -0.55 121.76 120.23 2gcf s ALA 67 Ca 0.44 -0.62 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 2gcf s ALA 67 Cb -0.10 -2.01 -0.01 0.00 0.00 0.00 0.00 23.12 21.00 2gcf s ALA 67 CO 0.32 0.66 -0.01 -0.98 0.00 0.00 0.00 175.76 175.75 2gcf s ARG 68 N -1.57 0.19 0.57 0.00 1.70 -0.35 -4.86 118.95 114.64 2gcf s ARG 68 Ca 0.24 -0.34 -0.18 0.00 -0.47 0.00 0.00 55.73 54.98 2gcf s ARG 68 Cb -0.13 0.07 -0.04 0.00 -0.57 0.00 0.00 34.95 34.28 2gcf s ARG 68 CO 0.13 -0.03 1.12 0.14 -1.08 0.00 0.00 175.30 175.58 2gcf s VAL 69 N -0.84 3.21 -0.27 4.99 -7.23 -1.26 -0.67 120.40 118.32 2gcf s VAL 69 Ca -0.09 0.69 -0.09 0.00 -1.81 0.00 0.00 61.98 60.69 2gcf s VAL 69 Cb -0.06 -3.24 -0.03 0.00 0.56 0.00 0.00 36.38 33.61 2gcf s VAL 69 CO -0.00 -0.22 0.11 -1.48 -0.31 0.00 0.00 175.10 173.20 2gcf s LEU 70 N -4.10 3.70 0.00 1.32 0.05 -1.26 -4.51 118.68 113.88 2gcf s LEU 70 Ca 0.71 -0.23 0.00 0.00 0.05 0.00 0.00 54.13 54.66 2gcf s LEU 70 Cb -0.23 -1.98 0.00 0.00 -2.05 0.00 0.00 46.19 41.93 2gcf s LEU 70 CO 0.31 -0.07 0.00 1.17 -0.55 0.00 0.00 176.35 177.21 2gcf n LYS 71 N 4.97 0.00 0.00 1.48 4.81 -1.26 -4.97 118.16 123.18 2gcf n LYS 71 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.29 2gcf n LYS 71 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 2gcf n LYS 71 CO 0.00 0.00 0.00 0.94 1.17 0.00 0.00 177.40 179.51 2gcf n GLN 72 N 5.42 0.00 0.00 1.64 -0.06 -1.26 -5.17 117.38 117.95 2gcf n GLN 72 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 2gcf n GLN 72 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 2gcf n GLN 72 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86