#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 -2.22 3.04 0.00 -1.26 -4.96 120.51 115.11 2gcf n ALA 2 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2gcf n ALA 2 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.43 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 0.00 4.10 0.09 0.00 2.00 -1.26 -4.94 119.66 119.64 2gcf s GLN 3 Ca 0.00 1.80 -0.23 0.00 -2.00 0.00 0.00 55.36 54.93 2gcf s GLN 3 Cb 0.00 -3.90 0.06 0.00 0.80 0.00 0.00 33.01 29.97 2gcf s GLN 3 CO 0.00 -0.91 0.57 -0.08 -0.50 0.00 0.00 175.29 174.37 2gcf s THR 4 N 4.09 0.02 -0.18 -0.34 -1.32 -1.26 -2.85 115.64 113.80 2gcf s THR 4 Ca 0.64 -0.13 -0.01 0.00 -1.21 0.00 0.00 61.69 60.99 2gcf s THR 4 Cb -0.26 -1.01 -0.00 0.00 -1.51 0.00 0.00 72.50 69.72 2gcf s THR 4 CO 0.23 -0.07 -0.12 -0.63 -2.21 0.00 0.00 174.62 171.82 2gcf s ILE 5 N -2.93 2.81 -0.13 5.08 -1.09 -0.38 -4.98 121.20 119.59 2gcf s ILE 5 Ca -0.03 -0.70 -0.04 0.00 -2.23 0.00 0.00 60.65 57.66 2gcf s ILE 5 Cb -0.00 -2.22 -0.03 0.00 -1.58 0.00 0.00 42.46 38.62 2gcf s ILE 5 CO -0.06 0.49 0.00 0.54 -1.23 0.00 0.00 174.94 174.69 2gcf s ASN 6 N 1.09 5.19 0.29 3.58 2.20 -1.26 -1.27 114.94 124.75 2gcf s ASN 6 Ca 0.00 0.05 -0.16 0.00 -0.94 0.00 0.00 52.86 51.81 2gcf s ASN 6 Cb -0.14 -1.67 0.06 0.00 -2.00 0.00 0.00 41.25 37.50 2gcf s ASN 6 CO -0.03 0.27 0.81 0.00 -2.94 0.00 0.00 177.10 175.21 2gcf n LEU 7 N 2.84 0.00 -4.92 3.54 -0.00 -0.19 -4.94 117.00 113.33 2gcf n LEU 7 Ca -0.18 -1.96 -0.21 0.00 -0.00 0.00 0.00 56.01 53.66 2gcf n LEU 7 Cb 0.53 3.14 -0.03 0.00 -0.00 0.00 0.00 43.42 47.07 2gcf n LEU 7 CO 0.31 -0.65 -0.07 -1.10 -0.00 0.00 0.00 177.39 175.87 2gcf s GLN 8 N -2.07 3.18 -0.16 1.47 -0.21 0.23 -0.94 119.66 121.17 2gcf s GLN 8 Ca 0.17 -0.93 -0.01 0.00 0.02 0.00 0.00 55.36 54.61 2gcf s GLN 8 Cb -0.04 -2.74 -0.01 0.00 1.00 0.00 0.00 33.01 31.22 2gcf s GLN 8 CO 0.09 0.35 -0.12 -0.51 -2.12 0.00 0.00 175.29 172.98 2gcf s LEU 9 N -3.96 2.68 0.43 2.90 1.02 -0.49 -1.17 118.68 120.08 2gcf s LEU 9 Ca 0.35 -0.38 -0.13 0.00 0.02 0.00 0.00 54.13 53.99 2gcf s LEU 9 Cb -0.08 -1.62 -0.07 0.00 0.02 0.00 0.00 46.19 44.43 2gcf s LEU 9 CO 0.28 0.10 0.83 -0.70 0.02 0.00 0.00 176.35 176.88 2gcf s GLU 10 N 0.71 3.87 0.00 1.70 -6.30 0.36 -4.40 118.70 114.65 2gcf s GLU 10 Ca -0.06 0.66 0.00 0.00 -2.50 0.00 0.00 54.97 53.07 2gcf s GLU 10 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 34.13 31.66 2gcf s GLU 10 CO 0.02 -0.08 0.00 0.41 0.02 0.00 0.00 175.26 175.63 2gcf n GLY 11 N -1.22 2.99 1.93 -1.50 0.00 -1.26 -1.91 105.19 104.22 2gcf n GLY 11 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 0.00 0.00 1.61 2.81 -1.26 -4.82 117.12 113.46 2gcf n MET 12 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2gcf n MET 12 Cb 0.00 -0.80 0.00 0.00 -0.71 0.00 0.00 33.22 31.71 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 1.47 0.00 -3.62 0.03 0.63 -1.26 -5.12 116.66 108.79 2gcf n ARG 13 Ca 0.14 -0.01 -0.03 0.00 -0.92 0.00 0.00 57.85 57.03 2gcf n ARG 13 Cb 0.01 -0.01 -0.06 0.00 0.45 0.00 0.00 32.46 32.84 2gcf n ARG 13 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2gcf h ALA 15 N 6.48 1.82 0.41 0.00 0.00 -1.99 -1.73 119.26 124.25 2gcf h ALA 15 Ca -0.27 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 2gcf h ALA 15 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.87 2gcf h ALA 15 CO 0.17 0.17 -0.20 0.00 0.00 0.00 0.00 179.25 179.39 2gcf h ALA 16 N 1.82 -0.55 -1.01 0.00 0.00 -1.99 -0.82 119.26 116.72 2gcf h ALA 16 Ca 0.11 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 54.97 2gcf h ALA 16 Cb -0.02 0.21 -0.09 0.00 0.00 0.00 0.00 17.79 17.90 2gcf h ALA 16 CO -0.02 -0.62 0.63 0.00 0.00 0.00 0.00 179.25 179.23 2gcf h ALA 18 N 1.57 -0.94 0.00 0.00 0.00 -1.27 -3.10 119.26 115.52 2gcf h ALA 18 Ca 0.52 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 2gcf h ALA 18 Cb 0.60 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2gcf h ALA 18 CO -0.30 -0.95 -0.03 0.77 0.00 0.00 0.00 179.25 178.75 2gcf h SER 19 N -1.10 0.00 0.38 0.00 0.02 -0.93 -0.69 113.55 111.23 2gcf h SER 19 Ca -0.10 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2gcf h SER 19 Cb 0.75 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.29 2gcf h SER 19 CO 0.16 0.03 0.00 -0.24 -1.14 0.00 0.00 176.83 175.63 2gcf n SER 20 N -4.15 0.46 -0.00 3.07 2.88 -0.19 -2.20 113.62 113.49 2gcf n SER 20 Ca -0.03 0.65 -0.12 0.00 -1.33 0.00 0.00 58.87 58.05 2gcf n SER 20 Cb 0.11 -0.73 -0.09 0.00 -0.75 0.00 0.00 64.21 62.74 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 1.19 -0.51 2.46 2.04 -1.09 -3.20 117.51 118.40 2gcf h ILE 21 Ca 0.00 -1.46 0.02 0.00 1.00 0.00 0.00 64.86 64.42 2gcf h ILE 21 Cb 0.19 2.07 -0.03 0.00 -0.74 0.00 0.00 36.82 38.31 2gcf h ILE 21 CO 0.00 0.33 0.32 -0.33 0.00 0.00 0.00 178.15 178.47 2gcf h GLU 22 N -0.81 0.61 0.00 2.37 4.39 -1.51 0.92 114.58 120.54 2gcf h GLU 22 Ca -0.01 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2gcf h GLU 22 Cb 0.62 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2gcf h GLU 22 CO 0.02 0.41 0.00 2.89 -1.16 0.00 0.00 179.01 181.16 2gcf n ARG 23 N -4.78 0.02 -0.06 2.33 -4.01 -1.08 -1.46 116.66 107.62 2gcf n ARG 23 Ca 0.03 0.11 -0.22 0.00 -1.04 0.00 0.00 57.85 56.74 2gcf n ARG 23 Cb 0.06 -1.53 -0.13 0.00 -3.04 0.00 0.00 32.46 27.82 2gcf n ARG 23 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2gcf n ALA 24 N -1.52 0.96 0.23 2.89 0.00 -0.44 -4.30 120.51 118.34 2gcf n ALA 24 Ca 0.06 -0.68 0.07 0.00 0.00 0.00 0.00 53.44 52.89 2gcf n ALA 24 Cb 0.28 -0.50 0.56 0.00 0.00 0.00 0.00 19.45 19.79 2gcf n ALA 24 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2gcf h ILE 25 N -0.33 1.00 0.00 0.00 2.04 -0.81 -1.20 117.51 118.20 2gcf h ILE 25 Ca -0.45 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2gcf h ILE 25 Cb 1.78 1.33 0.00 0.00 -0.74 0.00 0.00 36.82 39.19 2gcf h ILE 25 CO -0.06 0.16 0.14 0.00 0.00 0.00 0.00 178.15 178.39 2gcf n ALA 26 N -2.45 0.63 0.53 1.87 0.00 -0.53 -0.28 120.51 120.27 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 0.24 -0.52 -0.00 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.05 1.95 -2.12 0.00 5.02 -0.45 -5.01 118.16 116.50 2gcf n LYS 27 Ca 0.00 -0.67 -0.42 0.00 -2.02 0.00 0.00 58.31 55.21 2gcf n LYS 27 Cb 0.14 -1.14 -0.03 0.00 -0.02 0.00 0.00 35.03 33.98 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 -1.52 3.02 0.49 -0.18 1.01 0.61 -4.92 120.40 118.91 2gcf s VAL 28 Ca 0.10 0.80 0.37 0.00 0.00 0.00 0.00 61.98 63.25 2gcf s VAL 28 Cb 0.10 -3.51 0.40 0.00 0.00 0.00 0.00 36.38 33.36 2gcf s VAL 28 CO 0.30 0.10 2.22 1.55 0.00 0.00 0.00 175.10 179.27 2gcf h PRO 29 N 5.81 0.00 -0.01 2.72 0.13 -1.88 -0.94 132.00 137.83 2gcf h PRO 29 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 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 0.81 0.02 -0.23 0.41 -0.23 0.00 0.00 178.00 178.79 2gcf n GLY 30 N -0.80 -0.73 3.69 1.56 0.00 -1.26 -4.99 105.19 102.66 2gcf n GLY 30 Ca -0.02 -0.36 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 2gcf n GLY 30 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2gcf n VAL 31 N -0.78 1.45 -0.11 1.61 3.14 -0.36 -3.21 118.33 120.07 2gcf n VAL 31 Ca 0.12 -0.36 0.00 0.00 -2.96 0.00 0.00 64.34 61.14 2gcf n VAL 31 Cb 0.33 -1.57 0.00 0.00 -1.06 0.00 0.00 33.84 31.54 2gcf n VAL 31 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2gcf n GLN 32 N 1.35 2.51 -3.65 1.45 -0.00 0.33 -4.89 117.38 114.49 2gcf n GLN 32 Ca 0.08 0.00 0.01 0.00 -0.00 0.00 0.00 57.00 57.09 2gcf n GLN 32 Cb 0.34 -0.21 -0.06 0.00 -0.00 0.00 0.00 30.24 30.31 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 0.00 -0.02 0.36 2.61 0.01 -1.10 -5.00 113.70 110.56 2gcf s SER 33 Ca 0.00 0.03 0.08 0.00 1.31 0.00 0.00 55.95 57.38 2gcf s SER 33 Cb 0.00 0.73 -0.06 0.00 0.21 0.00 0.00 66.02 66.90 2gcf s SER 33 CO 0.00 -0.01 0.05 0.00 0.41 0.00 0.00 173.24 173.69 2gcf n GLN 35 N -1.01 0.00 -4.30 0.00 6.02 -0.01 -4.95 117.38 113.12 2gcf n GLN 35 Ca -0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.00 56.62 2gcf n GLN 35 Cb 0.63 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.81 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 4.29 -0.42 5.09 0.11 -1.26 -0.04 120.40 128.17 2gcf s VAL 36 Ca 0.00 -0.42 -0.00 0.00 -2.93 0.00 0.00 61.98 58.63 2gcf s VAL 36 Cb 0.00 -2.87 0.11 0.00 -1.53 0.00 0.00 36.38 32.10 2gcf s VAL 36 CO 0.00 0.48 0.18 0.21 -3.33 0.00 0.00 175.10 172.64 2gcf s ASN 37 N -1.28 5.03 0.00 3.54 3.84 -0.11 -5.00 114.94 120.96 2gcf s ASN 37 Ca 0.17 -2.23 -0.03 0.00 0.21 0.00 0.00 52.86 50.98 2gcf s ASN 37 Cb -0.11 -1.75 -0.13 0.00 -0.55 0.00 0.00 41.25 38.70 2gcf s ASN 37 CO 0.07 -0.45 2.68 0.33 -2.79 0.00 0.00 177.10 176.94 2gcf n PHE 38 N 4.26 0.00 0.00 0.43 7.35 -1.26 -1.56 117.46 126.68 2gcf n PHE 38 Ca 0.01 -1.18 0.00 0.00 -0.76 0.00 0.00 57.45 55.52 2gcf n PHE 38 Cb 0.40 -1.01 0.00 0.00 0.35 0.00 0.00 39.48 39.22 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 2.03 0.97 -0.15 3.13 0.00 -1.26 -4.91 120.51 120.32 2gcf n ALA 39 Ca 0.20 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.72 2gcf n ALA 39 Cb 0.67 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.31 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 -1.48 3.12 0.00 0.00 7.94 -1.16 -5.01 117.00 120.41 2gcf n LEU 40 Ca 0.00 -1.91 0.00 0.00 -1.11 0.00 0.00 56.01 52.99 2gcf n LEU 40 Cb 0.00 -0.27 0.00 0.00 0.53 0.00 0.00 43.42 43.68 2gcf n LEU 40 CO 0.00 0.77 0.00 -0.62 -1.11 0.00 0.00 177.39 176.43 2gcf n GLU 41 N 0.83 0.00 -2.15 1.96 1.02 -0.60 -4.99 120.64 116.71 2gcf n GLU 41 Ca 0.15 0.00 -0.33 0.00 -0.02 0.00 0.00 57.16 56.95 2gcf n GLU 41 Cb 0.47 -3.24 0.00 0.00 -0.02 0.00 0.00 31.44 28.65 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 -0.37 3.37 0.15 3.49 0.00 -1.24 -1.40 119.66 123.66 2gcf s GLN 42 Ca 0.00 1.31 0.08 0.00 -0.00 0.00 0.00 55.36 56.75 2gcf s GLN 42 Cb 0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 33.01 30.94 2gcf s GLN 42 CO 0.00 -0.78 -0.18 0.00 0.00 0.00 0.00 175.29 174.33 2gcf s ALA 43 N -2.26 1.91 -0.05 2.60 0.00 -0.11 -0.93 121.76 122.92 2gcf s ALA 43 Ca 0.66 -1.44 0.01 0.00 0.00 0.00 0.00 51.96 51.19 2gcf s ALA 43 Cb -0.17 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.80 2gcf s ALA 43 CO 0.32 0.22 -0.05 0.54 0.00 0.00 0.00 175.76 176.79 2gcf s VAL 44 N -2.00 0.61 -0.01 0.00 0.11 0.95 -1.02 120.40 119.04 2gcf s VAL 44 Ca 0.14 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.05 2gcf s VAL 44 Cb -0.06 -0.63 -0.00 0.00 -1.53 0.00 0.00 36.38 34.16 2gcf s VAL 44 CO 0.06 0.25 -0.05 -0.69 -3.33 0.00 0.00 175.10 171.34 2gcf s VAL 45 N 0.97 0.40 -0.27 2.04 1.01 -0.40 -0.83 120.40 123.32 2gcf s VAL 45 Ca -0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.63 2gcf s VAL 45 Cb -0.14 -0.35 0.00 0.00 0.00 0.00 0.00 36.38 35.89 2gcf s VAL 45 CO -0.00 0.12 0.04 -0.94 0.00 0.00 0.00 175.10 174.33 2gcf s SER 46 N 0.02 4.91 0.00 3.32 1.04 0.46 -1.25 113.70 122.20 2gcf s SER 46 Ca 0.00 -0.61 0.00 0.00 0.48 0.00 0.00 55.95 55.82 2gcf s SER 46 Cb -0.04 -1.84 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2gcf s SER 46 CO -0.00 -0.14 0.52 0.00 0.98 0.00 0.00 173.24 174.59 2gcf n TYR 47 N 4.84 0.00 -4.70 5.02 4.11 -1.13 -0.51 117.16 124.79 2gcf n TYR 47 Ca -0.15 -0.09 -0.23 0.00 -0.00 0.00 0.00 57.90 57.43 2gcf n TYR 47 Cb 0.49 0.28 -0.15 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 1.35 0.00 -3.48 3.76 -1.20 -3.91 115.29 111.81 2gcf s HIS 48 Ca 0.00 -0.26 0.00 0.00 -0.15 0.00 0.00 55.06 54.65 2gcf s HIS 48 Cb 0.00 -0.87 0.00 0.00 1.11 0.00 0.00 32.58 32.82 2gcf s HIS 48 CO 0.00 -0.03 0.00 0.41 -0.85 0.00 0.00 174.74 174.27 2gcf n GLY 49 N 2.74 0.00 0.00 -2.22 0.00 -1.26 -4.74 105.19 99.71 2gcf n GLY 49 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.87 2gcf n GLY 49 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2gcf n GLU 50 N 0.00 0.00 0.02 1.61 0.00 -1.26 -5.00 120.64 116.01 2gcf n GLU 50 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 57.16 57.29 2gcf n GLU 50 Cb 0.00 0.00 0.33 0.00 0.00 0.00 0.00 31.44 31.77 2gcf n GLU 50 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2gcf n THR 51 N 0.00 0.10 0.00 6.31 5.66 -1.26 -4.99 114.28 120.10 2gcf n THR 51 Ca 0.00 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 60.93 2gcf n THR 51 Cb 0.00 -0.05 0.00 0.00 -1.55 0.00 0.00 70.33 68.73 2gcf n THR 51 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2gcf n THR 52 N -1.66 0.00 -0.52 1.09 -2.24 -1.26 -4.93 114.28 104.76 2gcf n THR 52 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 2gcf n THR 52 Cb 0.36 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.59 2gcf n THR 52 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2gcf n PRO 53 N 0.00 3.60 0.00 -0.78 -0.04 -1.26 -4.83 135.00 131.68 2gcf n PRO 53 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2gcf n PRO 53 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 2gcf n PRO 53 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2gcf n GLN 54 N 0.00 0.00 0.30 0.54 7.27 -1.26 -1.02 117.38 123.21 2gcf n GLN 54 Ca 0.00 0.25 0.13 0.00 0.07 0.00 0.00 57.00 57.45 2gcf n GLN 54 Cb 0.00 -1.50 0.70 0.00 2.41 0.00 0.00 30.24 31.84 2gcf n GLN 54 CO 0.00 0.00 0.00 0.82 0.07 0.00 0.00 177.06 177.95 2gcf h ILE 55 N 0.00 0.00 0.00 1.69 2.04 -1.98 0.29 117.51 119.55 2gcf h ILE 55 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 2gcf h ILE 55 Cb 0.01 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.65 2gcf h ILE 55 CO 0.00 0.00 -0.11 0.17 0.00 0.00 0.00 178.15 178.21 2gcf h LEU 56 N 0.00 0.00 0.16 1.44 8.10 -1.40 -3.05 115.31 120.56 2gcf h LEU 56 Ca 0.00 0.00 -0.35 0.00 0.11 0.00 0.00 57.88 57.64 2gcf h LEU 56 Cb 0.70 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.91 2gcf h LEU 56 CO 0.00 0.11 -1.78 0.71 -4.11 0.00 0.00 178.44 173.37 2gcf h THR 57 N 0.00 0.89 -0.81 0.15 1.35 -1.20 -3.42 112.91 109.88 2gcf h THR 57 Ca -0.00 -2.52 0.14 0.00 -0.55 0.00 0.00 66.41 63.48 2gcf h THR 57 Cb 0.20 2.69 -0.14 0.00 -1.73 0.00 0.00 68.15 69.17 2gcf h THR 57 CO 0.01 0.85 -0.26 -0.67 -0.25 0.00 0.00 175.52 175.21 2gcf n ASP 58 N -3.53 -0.41 0.00 5.36 -0.08 -1.12 0.02 116.55 116.80 2gcf n ASP 58 Ca -0.25 1.40 0.06 0.00 -1.51 0.00 0.00 54.79 54.49 2gcf n ASP 58 Cb 1.06 -0.37 0.25 0.00 2.34 0.00 0.00 41.12 44.41 2gcf n ASP 58 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2gcf n ALA 59 N -3.64 1.53 -0.04 -1.67 0.00 -1.25 -1.07 120.51 114.38 2gcf n ALA 59 Ca 0.11 -0.04 -0.14 0.00 0.00 0.00 0.00 53.44 53.37 2gcf n ALA 59 Cb 0.36 -1.19 -0.14 0.00 0.00 0.00 0.00 19.45 18.48 2gcf n ALA 59 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2gcf n VAL 60 N -1.52 1.61 0.09 0.00 3.14 0.10 -4.39 118.33 117.37 2gcf n VAL 60 Ca 0.03 -0.73 -0.04 0.00 -2.96 0.00 0.00 64.34 60.64 2gcf n VAL 60 Cb 0.14 -1.21 0.16 0.00 -1.06 0.00 0.00 33.84 31.86 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -6.46 0.00 0.00 176.83 170.04 2gcf h GLU 61 N 0.02 0.22 -1.15 1.45 5.08 -0.73 -1.68 114.58 117.80 2gcf h GLU 61 Ca -0.41 -0.13 0.36 0.00 -1.00 0.00 0.00 59.36 58.17 2gcf h GLU 61 Cb 2.05 0.01 -0.07 0.00 0.50 0.00 0.00 28.75 31.24 2gcf h GLU 61 CO 0.05 0.71 0.79 -2.13 -1.00 0.00 0.00 179.01 177.43 2gcf n ARG 62 N -3.91 -0.01 0.00 2.33 0.00 -0.23 -1.34 116.66 113.50 2gcf n ARG 62 Ca -0.02 0.78 0.10 0.00 -0.00 0.00 0.00 57.85 58.71 2gcf n ARG 62 Cb 0.58 -1.67 -0.04 0.00 0.00 0.00 0.00 32.46 31.32 2gcf n ARG 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2gcf n ALA 63 N -2.59 3.81 -0.53 5.13 0.00 -0.65 -4.96 120.51 120.72 2gcf n ALA 63 Ca 0.29 -0.59 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2gcf n ALA 63 Cb 1.22 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 1.38 0.73 3.78 0.00 0.00 -0.45 -4.95 105.19 105.69 2gcf n GLY 64 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.05 2.74 0.19 1.61 2.02 -1.10 -4.71 117.35 116.06 2gcf s TYR 65 Ca 0.00 -0.39 0.03 0.00 -0.37 0.00 0.00 57.07 56.33 2gcf s TYR 65 Cb 0.00 -1.77 -0.05 0.00 -0.40 0.00 0.00 41.96 39.75 2gcf s TYR 65 CO 0.00 0.24 -0.00 -1.01 -1.57 0.00 0.00 175.55 173.20 2gcf s HIS 66 N -2.42 1.34 0.02 2.71 3.76 -0.80 -3.23 115.29 116.67 2gcf s HIS 66 Ca 0.40 -0.97 -0.30 0.00 -0.15 0.00 0.00 55.06 54.03 2gcf s HIS 66 Cb -0.03 -0.76 -0.04 0.00 1.11 0.00 0.00 32.58 32.86 2gcf s HIS 66 CO 0.24 -0.14 1.08 0.00 -0.85 0.00 0.00 174.74 175.07 2gcf s ALA 67 N -3.56 3.28 -0.02 -1.40 0.00 -1.26 -0.49 121.76 118.31 2gcf s ALA 67 Ca 0.25 0.67 0.00 0.00 0.00 0.00 0.00 51.96 52.88 2gcf s ALA 67 Cb 0.06 -3.39 0.02 0.00 0.00 0.00 0.00 23.12 19.81 2gcf s ALA 67 CO 0.06 -0.34 0.01 -0.98 0.00 0.00 0.00 175.76 174.50 2gcf s ARG 68 N 1.10 0.13 0.39 0.00 1.70 -0.31 -4.85 118.95 117.10 2gcf s ARG 68 Ca 0.55 0.09 -0.26 0.00 -0.47 0.00 0.00 55.73 55.65 2gcf s ARG 68 Cb -0.25 -0.31 -0.09 0.00 -0.57 0.00 0.00 34.95 33.73 2gcf s ARG 68 CO 0.28 -0.11 1.18 0.14 -1.08 0.00 0.00 175.30 175.71 2gcf s VAL 69 N 0.82 3.12 -0.61 4.99 -7.23 -1.26 -0.60 120.40 119.64 2gcf s VAL 69 Ca -0.08 0.96 -0.26 0.00 -1.81 0.00 0.00 61.98 60.80 2gcf s VAL 69 Cb -0.11 -3.55 -0.05 0.00 0.56 0.00 0.00 36.38 33.23 2gcf s VAL 69 CO -0.02 0.11 2.15 -0.76 -0.31 0.00 0.00 175.10 176.26 2gcf s LEU 70 N -2.39 3.29 0.00 1.32 1.02 -1.26 -4.78 118.68 115.87 2gcf s LEU 70 Ca 0.56 0.52 -0.03 0.00 0.02 0.00 0.00 54.13 55.20 2gcf s LEU 70 Cb -0.32 -2.52 -0.16 0.00 0.02 0.00 0.00 46.19 43.22 2gcf s LEU 70 CO 0.40 -2.77 2.79 2.29 0.02 0.00 0.00 176.35 179.08 2gcf n LYS 71 N 9.05 1.49 -1.90 1.70 2.85 -1.26 -4.86 118.16 125.23 2gcf n LYS 71 Ca 0.31 -0.58 -0.30 0.00 -1.05 0.00 0.00 58.31 56.70 2gcf n LYS 71 Cb 0.52 -1.63 0.18 0.00 -0.65 0.00 0.00 35.03 33.46 2gcf n LYS 71 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 177.40 176.70 2gcf s GLN 72 N 0.82 0.65 0.00 -1.58 -0.21 -1.26 -5.31 119.66 112.77 2gcf s GLN 72 Ca 0.39 -0.37 0.00 0.00 0.02 0.00 0.00 55.36 55.40 2gcf s GLN 72 Cb 0.19 -1.84 0.00 0.00 1.00 0.00 0.00 33.01 32.35 2gcf s GLN 72 CO 0.00 -2.42 0.00 1.04 -2.12 0.00 0.00 175.29 171.79