#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gcf s ALA 2 N 0.00 2.13 -0.39 3.04 0.00 -1.26 -4.39 121.76 120.89 2gcf s ALA 2 Ca 0.00 0.27 0.06 0.00 0.00 0.00 0.00 51.96 52.29 2gcf s ALA 2 Cb 0.00 -4.23 0.17 0.00 0.00 0.00 0.00 23.12 19.07 2gcf s ALA 2 CO 0.00 -3.72 0.54 1.14 0.00 0.00 0.00 175.76 173.72 2gcf s GLN 3 N 7.34 0.75 -0.25 0.00 -2.07 -1.26 -5.13 119.66 119.04 2gcf s GLN 3 Ca 0.96 -0.45 -0.17 0.00 -1.82 0.00 0.00 55.36 53.88 2gcf s GLN 3 Cb -0.23 -0.19 -0.03 0.00 -1.09 0.00 0.00 33.01 31.47 2gcf s GLN 3 CO 0.29 -1.19 0.46 -0.08 -1.32 0.00 0.00 175.29 173.46 2gcf s THR 4 N 1.73 5.11 -0.05 3.63 -1.32 -1.26 -4.38 115.64 119.11 2gcf s THR 4 Ca 0.16 0.78 -0.26 0.00 -1.21 0.00 0.00 61.69 61.16 2gcf s THR 4 Cb -0.08 -3.78 -0.03 0.00 -1.51 0.00 0.00 72.50 67.09 2gcf s THR 4 CO -0.06 0.13 0.81 -0.63 -2.21 0.00 0.00 174.62 172.66 2gcf s ILE 5 N 2.09 4.97 -0.14 5.08 -1.09 0.23 -4.86 121.20 127.48 2gcf s ILE 5 Ca 0.19 1.69 0.02 0.00 -2.23 0.00 0.00 60.65 60.32 2gcf s ILE 5 Cb -0.16 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.57 2gcf s ILE 5 CO 0.09 0.20 -0.19 0.54 -1.23 0.00 0.00 174.94 174.35 2gcf s ASN 6 N 0.90 3.41 0.26 3.58 2.20 -1.26 -0.47 114.94 123.56 2gcf s ASN 6 Ca 0.43 -0.52 -0.20 0.00 -0.94 0.00 0.00 52.86 51.63 2gcf s ASN 6 Cb -0.19 -1.50 0.02 0.00 -2.00 0.00 0.00 41.25 37.58 2gcf s ASN 6 CO 0.21 0.10 0.65 -1.48 -2.94 0.00 0.00 177.10 173.65 2gcf s LEU 7 N 0.71 -0.16 0.04 3.54 2.34 -0.36 -4.61 118.68 120.17 2gcf s LEU 7 Ca -0.08 -0.59 -0.00 0.00 0.06 0.00 0.00 54.13 53.51 2gcf s LEU 7 Cb -0.16 2.51 -0.04 0.00 -0.56 0.00 0.00 46.19 47.94 2gcf s LEU 7 CO 0.01 -1.26 0.19 -1.10 -1.06 0.00 0.00 176.35 173.13 2gcf s GLN 8 N -3.92 3.38 -0.29 1.48 -0.21 0.35 -0.64 119.66 119.81 2gcf s GLN 8 Ca 0.12 -0.43 0.02 0.00 0.02 0.00 0.00 55.36 55.09 2gcf s GLN 8 Cb -0.04 -3.02 0.08 0.00 1.00 0.00 0.00 33.01 31.03 2gcf s GLN 8 CO 0.05 0.62 -0.00 -1.17 -2.12 0.00 0.00 175.29 172.67 2gcf s LEU 9 N -2.33 3.49 -0.04 2.90 0.20 0.42 -0.74 118.68 122.57 2gcf s LEU 9 Ca 0.32 -1.65 -0.05 0.00 0.69 0.00 0.00 54.13 53.45 2gcf s LEU 9 Cb -0.13 -1.37 -0.04 0.00 -0.43 0.00 0.00 46.19 44.22 2gcf s LEU 9 CO 0.25 -0.31 0.18 -0.70 -0.29 0.00 0.00 176.35 175.49 2gcf s GLU 10 N 1.19 3.47 0.00 1.98 2.12 0.88 -3.90 118.70 124.44 2gcf s GLU 10 Ca 0.02 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.14 2gcf s GLU 10 Cb -0.19 -3.13 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2gcf s GLU 10 CO -0.09 0.71 0.00 0.41 -0.54 0.00 0.00 175.26 175.74 2gcf n GLY 11 N 1.32 2.88 3.54 -1.50 0.00 -1.26 -0.72 105.19 109.46 2gcf n GLY 11 Ca -0.14 0.00 -0.49 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.00 0.87 0.00 1.61 0.00 -1.25 -4.85 117.12 111.50 2gcf n MET 12 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 57.70 58.01 2gcf n MET 12 Cb 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 33.22 31.50 2gcf n MET 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 2gcf n ARG 13 N 1.50 0.00 -3.83 3.17 1.74 -1.26 -5.15 116.66 112.83 2gcf n ARG 13 Ca 0.15 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.17 2gcf n ARG 13 Cb 0.23 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.68 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gcf n ALA 15 N -0.55 -0.83 0.55 0.00 0.00 -1.26 -4.07 120.51 114.35 2gcf n ALA 15 Ca -0.06 0.10 0.07 0.00 0.00 0.00 0.00 53.44 53.55 2gcf n ALA 15 Cb 0.60 -0.29 0.32 0.00 0.00 0.00 0.00 19.45 20.08 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 -0.58 1.70 0.23 0.00 0.00 -1.26 -4.21 120.51 116.40 2gcf n ALA 16 Ca 0.00 -0.06 0.09 0.00 0.00 0.00 0.00 53.44 53.48 2gcf n ALA 16 Cb 0.15 -1.23 0.49 0.00 0.00 0.00 0.00 19.45 18.86 2gcf n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2gcf n ALA 18 N -1.66 -0.01 0.30 0.00 0.00 -1.26 -4.08 120.51 113.81 2gcf n ALA 18 Ca -0.01 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.58 2gcf n ALA 18 Cb 0.39 0.00 0.72 0.00 0.00 0.00 0.00 19.45 20.55 2gcf n ALA 18 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2gcf h SER 19 N 0.00 0.00 0.25 0.00 0.87 -1.90 -0.48 113.55 112.29 2gcf h SER 19 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2gcf h SER 19 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2gcf h SER 19 CO 0.00 0.00 0.00 -1.28 -0.53 0.00 0.00 176.83 175.02 2gcf h SER 20 N 0.00 0.00 0.52 6.23 0.87 -1.61 -0.34 113.55 119.21 2gcf h SER 20 Ca 0.00 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.53 2gcf h SER 20 Cb 0.26 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.23 2gcf h SER 20 CO 0.00 0.00 -0.25 0.40 -0.53 0.00 0.00 176.83 176.45 2gcf h ILE 21 N 0.00 0.00 -0.61 2.23 2.04 -1.22 -2.82 117.51 117.13 2gcf h ILE 21 Ca 0.00 -0.26 0.10 0.00 1.00 0.00 0.00 64.86 65.69 2gcf h ILE 21 Cb 0.13 0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.13 2gcf h ILE 21 CO 0.00 0.00 0.21 -0.33 0.00 0.00 0.00 178.15 178.03 2gcf h GLU 22 N -0.96 0.37 0.00 2.37 5.08 -1.51 0.10 114.58 120.02 2gcf h GLU 22 Ca -0.07 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2gcf h GLU 22 Cb 0.54 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2gcf h GLU 22 CO 0.12 0.24 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.19 2gcf h ARG 23 N 0.38 0.00 0.16 2.33 9.65 -1.23 -0.42 114.38 125.25 2gcf h ARG 23 Ca 0.31 0.00 -0.25 0.00 -1.10 0.00 0.00 59.98 58.94 2gcf h ARG 23 Cb 0.40 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.99 2gcf h ARG 23 CO -0.32 0.10 -1.18 0.00 2.80 0.00 0.00 179.97 181.36 2gcf h ALA 24 N 1.90 -0.01 0.00 2.80 0.00 -0.85 -3.37 119.26 119.74 2gcf h ALA 24 Ca -0.00 -0.87 -0.02 0.00 0.00 0.00 0.00 54.91 54.01 2gcf h ALA 24 Cb 0.57 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.60 2gcf h ALA 24 CO 0.01 0.61 -0.11 0.82 0.00 0.00 0.00 179.25 180.59 2gcf h ILE 25 N -0.23 0.91 0.00 0.00 2.04 -0.52 -1.81 117.51 117.91 2gcf h ILE 25 Ca -0.23 -0.38 0.00 0.00 1.00 0.00 0.00 64.86 65.25 2gcf h ILE 25 Cb 1.81 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 39.10 2gcf h ILE 25 CO 0.15 0.10 0.27 0.00 0.00 0.00 0.00 178.15 178.67 2gcf n ALA 26 N -2.44 0.58 0.95 1.87 0.00 -0.20 0.03 120.51 121.30 2gcf n ALA 26 Ca -0.03 0.06 0.11 0.00 0.00 0.00 0.00 53.44 53.59 2gcf n ALA 26 Cb 0.19 -0.67 0.05 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 -1.70 0.03 -2.29 0.00 4.01 -0.68 -4.96 118.16 112.58 2gcf n LYS 27 Ca -0.00 -0.00 -0.42 0.00 -0.51 0.00 0.00 58.31 57.37 2gcf n LYS 27 Cb 0.28 -1.51 -0.03 0.00 -0.51 0.00 0.00 35.03 33.26 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 -3.02 3.69 0.41 -0.18 1.01 0.10 -4.93 120.40 117.48 2gcf s VAL 28 Ca 0.09 1.20 0.32 0.00 0.00 0.00 0.00 61.98 63.58 2gcf s VAL 28 Cb 0.16 -3.77 0.34 0.00 0.00 0.00 0.00 36.38 33.12 2gcf s VAL 28 CO 0.79 0.08 2.12 1.55 0.00 0.00 0.00 175.10 179.64 2gcf h PRO 29 N 6.92 0.00 -0.12 2.72 0.13 -1.91 -1.67 132.00 138.06 2gcf h PRO 29 Ca -0.41 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2gcf h PRO 29 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2gcf h PRO 29 CO 0.85 0.07 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 2gcf n GLY 30 N -0.65 0.23 3.69 1.56 0.00 -1.26 -4.81 105.19 103.95 2gcf n GLY 30 Ca -0.02 -0.44 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.85 2.69 0.00 1.61 0.11 -0.63 -1.80 120.40 120.54 2gcf s VAL 31 Ca 0.34 0.22 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 2gcf s VAL 31 Cb 0.19 -3.14 0.00 0.00 -1.53 0.00 0.00 36.38 31.90 2gcf s VAL 31 CO 0.29 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.06 2gcf n GLN 32 N 5.51 2.29 -3.65 1.54 -0.00 0.12 -4.93 117.38 118.26 2gcf n GLN 32 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.00 57.16 2gcf n GLN 32 Cb 0.39 -0.20 -0.06 0.00 -0.00 0.00 0.00 30.24 30.37 2gcf n GLN 32 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.06 175.94 2gcf s SER 33 N -0.33 -0.28 -0.03 2.61 0.01 -1.21 -4.98 113.70 109.49 2gcf s SER 33 Ca 0.00 0.45 0.06 0.00 1.31 0.00 0.00 55.95 57.77 2gcf s SER 33 Cb 0.00 1.02 -0.01 0.00 0.21 0.00 0.00 66.02 67.24 2gcf s SER 33 CO 0.00 -0.07 -0.22 0.00 0.41 0.00 0.00 173.24 173.36 2gcf s GLN 35 N -0.32 0.40 0.03 0.00 1.11 -0.29 -5.01 119.66 115.58 2gcf s GLN 35 Ca 0.03 0.70 0.08 0.00 0.01 0.00 0.00 55.36 56.18 2gcf s GLN 35 Cb -0.10 0.04 -0.02 0.00 -1.01 0.00 0.00 33.01 31.91 2gcf s GLN 35 CO 0.01 -0.13 -0.23 0.54 0.01 0.00 0.00 175.29 175.49 2gcf s VAL 36 N 1.06 1.81 -0.56 1.09 0.11 -1.26 -0.19 120.40 122.45 2gcf s VAL 36 Ca -0.07 -1.18 -0.01 0.00 -2.93 0.00 0.00 61.98 57.79 2gcf s VAL 36 Cb -0.07 -1.55 0.14 0.00 -1.53 0.00 0.00 36.38 33.38 2gcf s VAL 36 CO -0.09 0.32 0.35 0.21 -3.33 0.00 0.00 175.10 172.56 2gcf s ASN 37 N -1.03 5.01 0.00 3.54 3.84 0.05 -4.99 114.94 121.36 2gcf s ASN 37 Ca 0.09 -2.74 -0.01 0.00 0.21 0.00 0.00 52.86 50.41 2gcf s ASN 37 Cb -0.09 -1.79 -0.04 0.00 -0.55 0.00 0.00 41.25 38.78 2gcf s ASN 37 CO 0.01 -0.36 1.95 0.33 -2.79 0.00 0.00 177.10 176.24 2gcf n PHE 38 N 3.59 0.00 0.00 0.43 7.35 -1.26 -1.43 117.46 126.14 2gcf n PHE 38 Ca 0.06 -0.92 0.00 0.00 -0.76 0.00 0.00 57.45 55.82 2gcf n PHE 38 Cb 0.37 -0.62 0.00 0.00 0.35 0.00 0.00 39.48 39.58 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 1.74 0.44 -0.69 3.13 0.00 -1.26 -4.93 120.51 118.94 2gcf n ALA 39 Ca 0.06 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.56 2gcf n ALA 39 Cb 0.49 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.02 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 -0.58 2.10 0.00 0.00 7.94 -1.03 -5.03 117.00 120.40 2gcf n LEU 40 Ca 0.00 -2.55 0.00 0.00 -1.11 0.00 0.00 56.01 52.35 2gcf n LEU 40 Cb 0.00 -0.25 0.00 0.00 0.53 0.00 0.00 43.42 43.70 2gcf n LEU 40 CO 0.00 0.60 0.00 -0.62 -1.11 0.00 0.00 177.39 176.26 2gcf n GLU 41 N -1.01 0.00 -2.40 1.96 1.02 -0.52 -4.99 120.64 114.71 2gcf n GLU 41 Ca 0.09 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 2gcf n GLU 41 Cb 0.49 -2.87 -0.03 0.00 -0.02 0.00 0.00 31.44 29.02 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 -0.12 3.74 0.18 3.49 0.00 -1.25 -0.44 119.66 125.26 2gcf s GLN 42 Ca 0.00 1.20 0.10 0.00 -0.00 0.00 0.00 55.36 56.66 2gcf s GLN 42 Cb 0.00 -2.10 -0.04 0.00 0.00 0.00 0.00 33.01 30.87 2gcf s GLN 42 CO 0.00 -0.46 -0.19 0.00 0.00 0.00 0.00 175.29 174.64 2gcf s ALA 43 N -2.29 2.69 -0.09 2.60 0.00 0.18 -0.77 121.76 124.08 2gcf s ALA 43 Ca 0.64 -1.56 0.01 0.00 0.00 0.00 0.00 51.96 51.05 2gcf s ALA 43 Cb -0.14 -0.50 0.02 0.00 0.00 0.00 0.00 23.12 22.50 2gcf s ALA 43 CO 0.27 0.46 -0.10 0.54 0.00 0.00 0.00 175.76 176.92 2gcf s VAL 44 N -1.63 1.08 -0.13 0.00 0.11 0.73 -1.22 120.40 119.34 2gcf s VAL 44 Ca 0.22 -0.39 -0.08 0.00 -2.93 0.00 0.00 61.98 58.80 2gcf s VAL 44 Cb -0.08 -1.04 0.05 0.00 -1.53 0.00 0.00 36.38 33.77 2gcf s VAL 44 CO 0.12 0.36 0.32 -0.69 -3.33 0.00 0.00 175.10 171.87 2gcf s VAL 45 N 1.15 -0.03 -0.25 2.04 1.01 0.38 -1.13 120.40 123.58 2gcf s VAL 45 Ca -0.05 0.10 -0.09 0.00 0.00 0.00 0.00 61.98 61.93 2gcf s VAL 45 Cb -0.14 -0.47 -0.04 0.00 0.00 0.00 0.00 36.38 35.72 2gcf s VAL 45 CO -0.02 0.04 0.13 -0.55 0.00 0.00 0.00 175.10 174.70 2gcf s SER 46 N 1.05 5.77 -0.33 3.32 0.15 -0.95 -0.60 113.70 122.12 2gcf s SER 46 Ca -0.07 -0.01 0.16 0.00 0.70 0.00 0.00 55.95 56.72 2gcf s SER 46 Cb -0.08 -2.04 0.44 0.00 -1.71 0.00 0.00 66.02 62.63 2gcf s SER 46 CO -0.08 0.02 1.30 0.00 1.20 0.00 0.00 173.24 175.68 2gcf n TYR 47 N 4.58 -0.78 -3.75 3.44 4.11 -1.20 -0.70 117.16 122.85 2gcf n TYR 47 Ca -0.15 -2.04 -0.21 0.00 -0.00 0.00 0.00 57.90 55.50 2gcf n TYR 47 Cb 0.52 0.80 -0.18 0.00 -0.00 0.00 0.00 39.34 40.48 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 -1.40 0.41 0.00 -3.48 3.76 -0.74 -4.50 115.29 109.33 2gcf s HIS 48 Ca 0.19 0.01 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2gcf s HIS 48 Cb 0.41 -0.65 0.00 0.00 1.11 0.00 0.00 32.58 33.45 2gcf s HIS 48 CO -0.07 -0.26 0.00 0.41 -0.85 0.00 0.00 174.74 173.97 2gcf n GLY 49 N 5.11 0.73 0.41 -2.22 0.00 -1.26 -0.51 105.19 107.44 2gcf n GLY 49 Ca -0.07 0.00 0.27 0.00 0.00 0.00 0.00 46.02 46.22 2gcf n GLY 49 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2gcf h GLU 50 N 0.00 0.29 0.00 1.61 9.09 -1.96 0.37 114.58 123.98 2gcf h GLU 50 Ca 0.00 -0.02 -0.23 0.00 0.05 0.00 0.00 59.36 59.16 2gcf h GLU 50 Cb 0.00 -0.07 -0.05 0.00 -1.65 0.00 0.00 28.75 26.98 2gcf h GLU 50 CO 0.00 0.19 -0.10 -2.37 0.05 0.00 0.00 179.01 176.78 2gcf n THR 51 N -4.75 0.00 -3.49 -1.06 5.66 -1.26 -4.76 114.28 104.62 2gcf n THR 51 Ca 0.30 -1.51 -0.42 0.00 -3.05 0.00 0.00 64.05 59.37 2gcf n THR 51 Cb 1.06 0.96 -0.10 0.00 -1.55 0.00 0.00 70.33 70.69 2gcf n THR 51 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 2gcf s THR 52 N -2.73 5.16 0.38 1.09 2.01 -1.26 -4.53 115.64 115.76 2gcf s THR 52 Ca 0.25 -0.63 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 2gcf s THR 52 Cb -0.01 -3.84 -0.04 0.00 0.01 0.00 0.00 72.50 68.61 2gcf s THR 52 CO 0.18 -0.26 0.65 -2.16 -0.69 0.00 0.00 174.62 172.34 2gcf s PRO 53 N 1.67 3.58 0.40 4.92 0.04 -1.26 -4.98 135.00 139.36 2gcf s PRO 53 Ca 0.05 0.02 0.27 0.00 0.04 0.00 0.00 61.00 61.37 2gcf s PRO 53 Cb -0.19 -2.54 1.45 0.00 0.04 0.00 0.00 34.50 33.26 2gcf s PRO 53 CO 0.10 0.04 1.82 0.37 0.04 0.00 0.00 177.00 179.37 2gcf h GLN 54 N 0.92 0.00 -0.21 4.56 4.15 -2.01 -2.12 115.11 120.40 2gcf h GLN 54 Ca -0.48 0.00 0.06 0.00 0.77 0.00 0.00 58.65 59.00 2gcf h GLN 54 Cb 1.20 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.88 2gcf h GLN 54 CO 0.63 0.00 0.37 0.82 -1.93 0.00 0.00 178.83 178.72 2gcf h ILE 55 N 0.00 0.22 -0.86 2.39 2.04 -1.98 0.15 117.51 119.48 2gcf h ILE 55 Ca 0.00 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.01 2gcf h ILE 55 Cb 0.01 0.68 -0.07 0.00 -0.74 0.00 0.00 36.82 36.71 2gcf h ILE 55 CO 0.00 0.00 0.56 0.17 0.00 0.00 0.00 178.15 178.88 2gcf h LEU 56 N 0.00 0.57 0.01 1.44 8.10 -1.72 -2.58 115.31 121.13 2gcf h LEU 56 Ca 0.10 0.04 -0.29 0.00 0.11 0.00 0.00 57.88 57.84 2gcf h LEU 56 Cb 0.83 -0.08 -0.04 0.00 -0.44 0.00 0.00 40.66 40.94 2gcf h LEU 56 CO -0.00 0.29 -1.56 0.41 -4.11 0.00 0.00 178.44 173.46 2gcf n THR 57 N -4.54 1.56 -0.31 0.15 -1.04 -0.01 -4.42 114.28 105.68 2gcf n THR 57 Ca 0.17 -0.16 0.15 0.00 -2.04 0.00 0.00 64.05 62.17 2gcf n THR 57 Cb 0.50 -1.97 0.34 0.00 -1.82 0.00 0.00 70.33 67.38 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 -0.86 0.28 0.21 8.00 3.58 -1.37 0.20 116.42 126.47 2gcf h ASP 58 Ca -0.42 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.21 2gcf h ASP 58 Cb 1.45 0.17 0.00 0.00 1.72 0.00 0.00 39.33 42.67 2gcf h ASP 58 CO -0.21 -0.07 0.00 0.00 -2.88 0.00 0.00 179.24 176.08 2gcf n ALA 59 N -2.51 1.98 -0.09 -0.78 0.00 -0.98 -1.49 120.51 116.64 2gcf n ALA 59 Ca 0.24 -0.09 -0.16 0.00 0.00 0.00 0.00 53.44 53.43 2gcf n ALA 59 Cb 0.73 -1.27 -0.13 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.19 1.53 -0.32 0.00 0.31 0.66 -4.59 118.33 114.73 2gcf n VAL 60 Ca 0.09 -0.66 -0.03 0.00 -0.01 0.00 0.00 64.34 63.73 2gcf n VAL 60 Cb 0.11 -1.25 0.09 0.00 -0.91 0.00 0.00 33.84 31.88 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 0.01 1.13 0.00 5.55 4.39 -0.70 -1.18 114.58 123.78 2gcf h GLU 61 Ca -0.52 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2gcf h GLU 61 Cb 2.01 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 30.40 2gcf h GLU 61 CO -0.02 0.75 0.57 0.07 -1.16 0.00 0.00 179.01 179.22 2gcf h ARG 62 N 1.16 0.00 0.00 2.33 -0.00 -1.56 -0.37 114.38 115.94 2gcf h ARG 62 Ca 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.30 2gcf h ARG 62 Cb -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.86 2gcf h ARG 62 CO -0.08 0.00 -1.01 0.00 -0.00 0.00 0.00 179.97 178.89 2gcf n ALA 63 N -1.61 4.22 -0.65 0.08 0.00 -0.45 -4.96 120.51 117.15 2gcf n ALA 63 Ca -0.01 -0.53 0.00 0.00 0.00 0.00 0.00 53.44 52.90 2gcf n ALA 63 Cb 0.59 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 19.19 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 1.46 0.72 3.46 0.00 0.00 -0.15 -4.91 105.19 105.77 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 -2.38 2.38 0.13 1.61 2.02 -1.18 -4.87 117.35 115.07 2gcf s TYR 65 Ca 0.00 -0.33 0.08 0.00 -0.37 0.00 0.00 57.07 56.45 2gcf s TYR 65 Cb 0.00 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.34 2gcf s TYR 65 CO 0.00 0.49 -0.09 -1.01 -1.57 0.00 0.00 175.55 173.37 2gcf s HIS 66 N -1.65 2.71 -0.04 2.71 3.76 0.11 -2.99 115.29 119.90 2gcf s HIS 66 Ca 0.21 -0.18 -0.22 0.00 -0.15 0.00 0.00 55.06 54.73 2gcf s HIS 66 Cb -0.08 -1.38 -0.05 0.00 1.11 0.00 0.00 32.58 32.18 2gcf s HIS 66 CO 0.11 0.46 0.64 0.00 -0.85 0.00 0.00 174.74 175.09 2gcf s ALA 67 N -1.39 3.42 0.06 -1.40 0.00 -1.26 -0.08 121.76 121.10 2gcf s ALA 67 Ca 0.23 0.07 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2gcf s ALA 67 Cb -0.10 -2.84 -0.03 0.00 0.00 0.00 0.00 23.12 20.15 2gcf s ALA 67 CO 0.14 0.03 -0.04 -0.98 0.00 0.00 0.00 175.76 174.91 2gcf s ARG 68 N 0.30 0.60 0.16 0.00 1.70 0.08 -4.95 118.95 116.84 2gcf s ARG 68 Ca 0.34 -1.08 -0.30 0.00 -0.47 0.00 0.00 55.73 54.22 2gcf s ARG 68 Cb -0.18 0.02 -0.08 0.00 -0.57 0.00 0.00 34.95 34.15 2gcf s ARG 68 CO 0.17 -0.06 1.23 0.14 -1.08 0.00 0.00 175.30 175.70 2gcf s VAL 69 N -3.07 3.58 0.06 4.99 -7.23 -1.26 -0.50 120.40 116.97 2gcf s VAL 69 Ca 0.02 1.27 -0.23 0.00 -1.81 0.00 0.00 61.98 61.23 2gcf s VAL 69 Cb 0.02 -3.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.08 2gcf s VAL 69 CO -0.06 0.18 0.70 -1.48 -0.31 0.00 0.00 175.10 174.13 2gcf s LEU 70 N 0.09 4.48 -0.21 1.32 0.05 -1.26 -4.64 118.68 118.50 2gcf s LEU 70 Ca 0.55 1.39 -0.28 0.00 0.05 0.00 0.00 54.13 55.84 2gcf s LEU 70 Cb -0.33 -3.12 0.12 0.00 -2.05 0.00 0.00 46.19 40.81 2gcf s LEU 70 CO 0.35 0.11 1.01 -0.75 -0.55 0.00 0.00 176.35 176.52 2gcf s LYS 71 N -0.43 0.56 0.00 1.48 2.20 -1.26 -4.95 119.74 117.34 2gcf s LYS 71 Ca 0.35 0.35 0.00 0.00 -0.36 0.00 0.00 55.97 56.30 2gcf s LYS 71 Cb -0.20 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2gcf s LYS 71 CO 0.22 -0.13 0.00 0.00 -0.36 0.00 0.00 175.35 175.07 2gcf n GLN 72 N 1.39 0.00 0.00 4.03 -0.00 -1.26 -5.25 117.38 116.29 2gcf n GLN 72 Ca -0.11 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.89 2gcf n GLN 72 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.81 2gcf n GLN 72 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00