#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 -2.16 -0.32 3.17 0.00 -1.26 -5.15 121.76 116.04 2gcf s ALA 2 Ca 0.00 1.83 -0.12 0.00 0.00 0.00 0.00 51.96 53.67 2gcf s ALA 2 Cb 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2gcf s ALA 2 CO 0.00 -0.50 0.23 -0.65 0.00 0.00 0.00 175.76 174.83 2gcf s GLN 3 N -1.94 3.65 -0.13 0.00 -1.52 -1.26 -5.06 119.66 113.39 2gcf s GLN 3 Ca 0.11 -0.53 -0.02 0.00 -1.95 0.00 0.00 55.36 52.96 2gcf s GLN 3 Cb -0.01 -3.76 0.04 0.00 -0.22 0.00 0.00 33.01 29.07 2gcf s GLN 3 CO -0.04 -0.36 0.03 0.95 -0.25 0.00 0.00 175.29 175.62 2gcf s THR 4 N 1.74 0.35 -0.32 -0.19 -4.23 -1.26 -1.56 115.64 110.16 2gcf s THR 4 Ca 0.06 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.39 2gcf s THR 4 Cb -0.17 -0.71 0.06 0.00 1.34 0.00 0.00 72.50 73.02 2gcf s THR 4 CO 0.11 0.01 0.05 -0.63 -0.54 0.00 0.00 174.62 173.61 2gcf s ILE 5 N 1.96 3.19 -1.23 2.99 1.09 -1.00 -5.00 121.20 123.20 2gcf s ILE 5 Ca 0.02 -1.43 -0.06 0.00 -1.10 0.00 0.00 60.65 58.08 2gcf s ILE 5 Cb -0.15 -2.88 0.04 0.00 -1.06 0.00 0.00 42.46 38.42 2gcf s ILE 5 CO -0.07 -0.20 2.65 -0.46 -0.10 0.00 0.00 174.94 176.76 2gcf n ASN 6 N 4.66 7.91 -4.39 3.58 2.04 -1.26 -3.92 115.26 123.87 2gcf n ASN 6 Ca -0.11 -2.97 -0.29 0.00 -0.44 0.00 0.00 54.58 50.76 2gcf n ASN 6 Cb 0.43 -1.40 0.16 0.00 -2.53 0.00 0.00 39.78 36.45 2gcf n ASN 6 CO 0.00 0.00 0.00 -1.48 -0.44 0.00 0.00 177.26 175.34 2gcf s LEU 7 N -1.44 2.19 0.26 -4.53 2.34 -1.26 -4.82 118.68 111.41 2gcf s LEU 7 Ca 0.59 0.59 0.05 0.00 0.06 0.00 0.00 54.13 55.43 2gcf s LEU 7 Cb 0.21 -2.75 -0.03 0.00 -0.56 0.00 0.00 46.19 43.07 2gcf s LEU 7 CO -0.10 -2.74 0.38 -1.10 -1.06 0.00 0.00 176.35 171.74 2gcf s GLN 8 N -5.61 3.39 -0.03 1.48 -0.21 -0.48 -0.70 119.66 117.50 2gcf s GLN 8 Ca 0.69 -0.79 -0.03 0.00 0.02 0.00 0.00 55.36 55.25 2gcf s GLN 8 Cb -0.09 -2.87 -0.04 0.00 1.00 0.00 0.00 33.01 31.01 2gcf s GLN 8 CO 0.53 0.37 0.15 -1.17 -2.12 0.00 0.00 175.29 173.04 2gcf s LEU 9 N -4.02 4.25 0.08 2.90 2.96 0.46 -0.49 118.68 124.82 2gcf s LEU 9 Ca 0.36 0.32 0.05 0.00 -0.22 0.00 0.00 54.13 54.64 2gcf s LEU 9 Cb -0.09 -2.41 -0.04 0.00 0.50 0.00 0.00 46.19 44.15 2gcf s LEU 9 CO 0.29 0.30 -0.01 -0.70 -1.32 0.00 0.00 176.35 174.91 2gcf s GLU 10 N -1.68 2.53 0.00 1.98 -6.30 0.59 -4.63 118.70 111.19 2gcf s GLU 10 Ca 0.23 -0.83 0.00 0.00 -2.50 0.00 0.00 54.97 51.87 2gcf s GLU 10 Cb -0.12 -2.53 0.00 0.00 0.00 0.00 0.00 34.13 31.47 2gcf s GLU 10 CO 0.14 0.55 0.00 0.41 0.02 0.00 0.00 175.26 176.38 2gcf n GLY 11 N 0.66 2.80 1.37 -1.50 0.00 -1.26 -1.32 105.19 105.94 2gcf n GLY 11 Ca -0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.66 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 -4.19 1.61 2.81 -1.26 -4.93 117.12 109.17 2gcf n MET 12 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 2gcf n MET 12 Cb 0.00 -0.58 -0.10 0.00 -0.71 0.00 0.00 33.22 31.83 2gcf n MET 12 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 2gcf s ARG 13 N 1.55 1.06 -0.03 0.03 0.52 -1.26 -5.07 118.95 115.74 2gcf s ARG 13 Ca 0.42 -1.53 -0.03 0.00 -0.52 0.00 0.00 55.73 54.08 2gcf s ARG 13 Cb -0.58 0.15 -0.13 0.00 0.52 0.00 0.00 34.95 34.92 2gcf s ARG 13 CO 0.29 -0.28 2.03 0.00 0.02 0.00 0.00 175.30 177.36 2gcf s ALA 15 N 2.09 0.55 -1.34 0.00 0.00 -1.26 -5.06 121.76 116.74 2gcf s ALA 15 Ca 0.33 -1.01 0.03 0.00 0.00 0.00 0.00 51.96 51.31 2gcf s ALA 15 Cb 0.15 0.17 0.17 0.00 0.00 0.00 0.00 23.12 23.61 2gcf s ALA 15 CO -0.00 -0.22 0.97 0.00 0.00 0.00 0.00 175.76 176.51 2gcf n ALA 16 N 0.69 1.32 -0.20 0.00 0.00 -1.26 -3.49 120.51 117.57 2gcf n ALA 16 Ca -0.18 -0.02 0.30 0.00 0.00 0.00 0.00 53.44 53.55 2gcf n ALA 16 Cb 0.58 -1.06 0.73 0.00 0.00 0.00 0.00 19.45 19.71 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 1.46 -1.13 0.00 0.00 0.00 -1.90 -1.54 119.26 116.15 2gcf h ALA 18 Ca 0.45 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2gcf h ALA 18 Cb 1.88 0.30 0.00 0.00 0.00 0.00 0.00 17.79 19.98 2gcf h ALA 18 CO -0.00 -1.08 0.00 0.43 0.00 0.00 0.00 179.25 178.60 2gcf n SER 19 N -4.23 0.73 0.03 0.00 7.64 -1.21 -1.29 113.62 115.28 2gcf n SER 19 Ca -0.10 0.64 0.08 0.00 1.01 0.00 0.00 58.87 60.51 2gcf n SER 19 Cb 0.31 -0.81 0.34 0.00 -1.01 0.00 0.00 64.21 63.04 2gcf n SER 19 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2gcf n SER 20 N -2.26 0.15 0.22 6.43 2.88 -1.00 -1.50 113.62 118.54 2gcf n SER 20 Ca 0.03 0.54 -0.12 0.00 -1.33 0.00 0.00 58.87 57.98 2gcf n SER 20 Cb 0.29 -0.57 -0.07 0.00 -0.75 0.00 0.00 64.21 63.11 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 0.32 -0.51 2.46 2.04 -0.15 -2.64 117.51 119.03 2gcf h ILE 21 Ca 0.00 -0.55 0.10 0.00 1.00 0.00 0.00 64.86 65.42 2gcf h ILE 21 Cb 0.27 0.49 -0.09 0.00 -0.74 0.00 0.00 36.82 36.74 2gcf h ILE 21 CO 0.00 0.06 -0.04 -0.33 0.00 0.00 0.00 178.15 177.84 2gcf h GLU 22 N -1.02 0.07 0.00 2.37 5.08 -1.59 0.24 114.58 119.73 2gcf h GLU 22 Ca -0.06 -0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 2gcf h GLU 22 Cb 0.57 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2gcf h GLU 22 CO 0.10 0.05 -0.06 -0.09 -1.00 0.00 0.00 179.01 178.01 2gcf h ARG 23 N 0.08 0.00 0.13 2.33 9.65 -1.39 -1.93 114.38 123.25 2gcf h ARG 23 Ca 0.26 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.81 2gcf h ARG 23 Cb 0.40 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 28.97 2gcf h ARG 23 CO -0.47 0.06 -1.72 0.00 2.80 0.00 0.00 179.97 180.64 2gcf h ALA 24 N 1.94 0.27 0.00 2.80 0.00 -0.50 -3.39 119.26 120.38 2gcf h ALA 24 Ca -0.00 -1.22 -0.05 0.00 0.00 0.00 0.00 54.91 53.64 2gcf h ALA 24 Cb 0.31 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2gcf h ALA 24 CO 0.01 1.06 -0.23 0.82 0.00 0.00 0.00 179.25 180.91 2gcf h ILE 25 N -0.08 1.11 -0.00 0.00 2.04 -0.40 -1.98 117.51 118.19 2gcf h ILE 25 Ca -0.36 -0.79 0.00 0.00 1.00 0.00 0.00 64.86 64.71 2gcf h ILE 25 Cb 1.94 1.43 -0.00 0.00 -0.74 0.00 0.00 36.82 39.45 2gcf h ILE 25 CO 0.09 0.22 0.46 0.00 0.00 0.00 0.00 178.15 178.92 2gcf h ALA 26 N 1.77 1.46 -0.03 1.87 0.00 -1.56 0.27 119.26 123.06 2gcf h ALA 26 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gcf h ALA 26 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 2gcf h ALA 26 CO 0.03 -0.46 -0.14 1.63 0.00 0.00 0.00 179.25 180.31 2gcf n LYS 27 N -2.82 2.01 -2.41 0.00 4.01 -0.74 -5.00 118.16 113.21 2gcf n LYS 27 Ca -0.02 -1.66 -0.42 0.00 -0.51 0.00 0.00 58.31 55.70 2gcf n LYS 27 Cb 0.50 -1.46 -0.03 0.00 -0.51 0.00 0.00 35.03 33.52 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 -2.13 4.06 0.20 -0.18 1.01 0.95 -4.96 120.40 119.35 2gcf s VAL 28 Ca 0.25 1.45 -0.32 0.00 0.00 0.00 0.00 61.98 63.36 2gcf s VAL 28 Cb 0.19 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.52 2gcf s VAL 28 CO 0.38 0.06 1.73 -0.81 0.00 0.00 0.00 175.10 176.45 2gcf n PRO 29 N 4.59 2.75 -0.98 2.72 -0.04 -1.26 -1.60 135.00 141.18 2gcf n PRO 29 Ca 0.10 0.99 0.00 0.00 -0.04 0.00 0.00 63.50 64.56 2gcf n PRO 29 Cb 0.46 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.08 2gcf n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2gcf n GLY 30 N 3.97 0.58 3.66 0.55 0.00 -1.26 -4.80 105.19 107.89 2gcf n GLY 30 Ca 0.16 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.61 0.30 -0.11 1.61 3.14 -0.62 -1.59 118.33 118.44 2gcf n VAL 31 Ca 0.00 -0.07 -0.13 0.00 -2.96 0.00 0.00 64.34 61.17 2gcf n VAL 31 Cb 0.04 -1.41 -0.12 0.00 -1.06 0.00 0.00 33.84 31.29 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 2.86 0.75 -3.65 1.45 6.02 0.45 -4.94 117.38 120.31 2gcf n GLN 32 Ca 0.16 0.08 -0.01 0.00 -0.01 0.00 0.00 57.00 57.21 2gcf n GLN 32 Cb 0.28 -1.46 -0.04 0.00 1.02 0.00 0.00 30.24 30.04 2gcf n GLN 32 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 2gcf s SER 33 N -5.87 -0.01 -0.00 1.08 0.15 -1.12 -5.03 113.70 102.89 2gcf s SER 33 Ca -0.23 0.01 0.01 0.00 0.70 0.00 0.00 55.95 56.44 2gcf s SER 33 Cb 0.07 0.01 -0.00 0.00 -1.71 0.00 0.00 66.02 64.39 2gcf s SER 33 CO 0.61 -0.01 -0.03 0.00 1.20 0.00 0.00 173.24 175.01 2gcf s GLN 35 N -0.02 0.04 -0.08 0.00 1.11 -0.62 -4.96 119.66 115.13 2gcf s GLN 35 Ca 0.01 0.27 0.04 0.00 0.01 0.00 0.00 55.36 55.69 2gcf s GLN 35 Cb -0.02 -0.18 -0.01 0.00 -1.01 0.00 0.00 33.01 31.79 2gcf s GLN 35 CO -0.00 -0.15 -0.20 0.08 0.01 0.00 0.00 175.29 175.03 2gcf s VAL 36 N 1.00 2.45 -0.49 1.09 1.01 -1.26 0.04 120.40 124.24 2gcf s VAL 36 Ca -0.08 -0.91 -0.11 0.00 0.00 0.00 0.00 61.98 60.88 2gcf s VAL 36 Cb -0.11 -1.95 0.12 0.00 0.00 0.00 0.00 36.38 34.45 2gcf s VAL 36 CO -0.04 0.56 0.38 0.21 0.00 0.00 0.00 175.10 176.21 2gcf s ASN 37 N -0.05 5.85 -0.05 3.32 3.84 -0.13 -4.99 114.94 122.74 2gcf s ASN 37 Ca -0.06 -1.84 -0.05 0.00 0.21 0.00 0.00 52.86 51.12 2gcf s ASN 37 Cb -0.14 -2.07 -0.23 0.00 -0.55 0.00 0.00 41.25 38.25 2gcf s ASN 37 CO 0.05 -0.73 3.25 0.33 -2.79 0.00 0.00 177.10 177.21 2gcf n PHE 38 N 5.01 0.07 0.00 0.43 7.35 -1.26 -1.89 117.46 127.17 2gcf n PHE 38 Ca -0.10 -1.37 0.00 0.00 -0.76 0.00 0.00 57.45 55.22 2gcf n PHE 38 Cb 0.41 -1.49 0.00 0.00 0.35 0.00 0.00 39.48 38.75 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 2.60 0.59 -1.15 3.13 0.00 -1.26 -4.91 120.51 119.51 2gcf n ALA 39 Ca 0.39 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.92 2gcf n ALA 39 Cb 0.79 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.41 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 -0.81 2.70 0.00 0.00 7.94 -1.14 -5.03 117.00 120.67 2gcf n LEU 40 Ca 0.00 -3.22 0.00 0.00 -1.11 0.00 0.00 56.01 51.68 2gcf n LEU 40 Cb 0.00 -0.47 0.00 0.00 0.53 0.00 0.00 43.42 43.48 2gcf n LEU 40 CO 0.00 0.82 0.00 -0.62 -1.11 0.00 0.00 177.39 176.48 2gcf n GLU 41 N -1.24 0.00 -2.26 1.96 1.02 -0.79 -4.96 120.64 114.37 2gcf n GLU 41 Ca 0.18 0.00 -0.36 0.00 -0.02 0.00 0.00 57.16 56.96 2gcf n GLU 41 Cb 0.70 -3.73 -0.00 0.00 -0.02 0.00 0.00 31.44 28.39 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 -0.14 3.49 -0.40 3.49 -2.07 -1.24 -0.40 119.66 122.37 2gcf s GLN 42 Ca 0.00 1.67 0.04 0.00 -1.82 0.00 0.00 55.36 55.25 2gcf s GLN 42 Cb 0.00 -2.14 0.17 0.00 -1.09 0.00 0.00 33.01 29.95 2gcf s GLN 42 CO 0.00 -0.75 0.33 0.00 -1.32 0.00 0.00 175.29 173.55 2gcf s ALA 43 N -1.69 1.31 -1.20 2.60 0.00 0.12 -0.95 121.76 121.95 2gcf s ALA 43 Ca 0.70 -2.37 -0.18 0.00 0.00 0.00 0.00 51.96 50.10 2gcf s ALA 43 Cb -0.26 -1.60 0.09 0.00 0.00 0.00 0.00 23.12 21.35 2gcf s ALA 43 CO 0.30 -1.99 1.58 0.54 0.00 0.00 0.00 175.76 176.19 2gcf s VAL 44 N 0.17 4.28 0.23 0.00 0.11 0.11 -4.38 120.40 120.92 2gcf s VAL 44 Ca 0.31 -1.78 -0.30 0.00 -2.93 0.00 0.00 61.98 57.29 2gcf s VAL 44 Cb 0.01 -5.09 -0.09 0.00 -1.53 0.00 0.00 36.38 29.68 2gcf s VAL 44 CO -0.18 -1.90 1.15 -0.69 -3.33 0.00 0.00 175.10 170.15 2gcf s VAL 45 N 3.82 3.54 -0.13 2.04 1.01 -1.25 -1.59 120.40 127.84 2gcf s VAL 45 Ca 0.49 1.41 0.02 0.00 0.00 0.00 0.00 61.98 63.90 2gcf s VAL 45 Cb 0.01 -3.90 0.01 0.00 0.00 0.00 0.00 36.38 32.51 2gcf s VAL 45 CO 0.02 0.28 -0.18 -0.94 0.00 0.00 0.00 175.10 174.28 2gcf s SER 46 N -0.34 2.75 0.13 3.32 1.04 0.66 -2.37 113.70 118.90 2gcf s SER 46 Ca 0.49 -0.51 -0.25 0.00 0.48 0.00 0.00 55.95 56.16 2gcf s SER 46 Cb -0.32 -1.25 0.07 0.00 0.10 0.00 0.00 66.02 64.62 2gcf s SER 46 CO 0.39 0.03 0.76 -0.72 0.98 0.00 0.00 173.24 174.68 2gcf s TYR 47 N 1.00 -0.35 0.59 5.02 1.13 -0.60 -0.41 117.35 123.73 2gcf s TYR 47 Ca -0.05 0.10 -0.18 0.00 -1.41 0.00 0.00 57.07 55.54 2gcf s TYR 47 Cb -0.15 0.59 -0.13 0.00 -1.10 0.00 0.00 41.96 41.17 2gcf s TYR 47 CO -0.03 -0.83 -0.09 -2.39 -2.51 0.00 0.00 175.55 169.69 2gcf n HIS 48 N -0.37 -2.79 -0.70 -3.49 1.44 -0.62 -4.51 115.22 104.17 2gcf n HIS 48 Ca -0.10 0.38 0.08 0.00 -2.01 0.00 0.00 57.72 56.07 2gcf n HIS 48 Cb 0.62 -1.70 0.29 0.00 0.12 0.00 0.00 29.99 29.32 2gcf n HIS 48 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2gcf n GLY 49 N 2.49 3.22 2.02 -1.39 0.00 -1.26 -4.88 105.19 105.39 2gcf n GLY 49 Ca 0.07 -0.84 -0.13 0.00 0.00 0.00 0.00 46.02 45.13 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 0.40 1.95 0.00 1.61 1.02 -1.26 -4.80 120.64 119.55 2gcf n GLU 50 Ca 0.22 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.26 2gcf n GLU 50 Cb 0.85 -1.90 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 2gcf n GLU 50 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 2gcf n THR 51 N 2.10 0.00 -3.55 2.62 -1.04 -1.26 -4.87 114.28 108.28 2gcf n THR 51 Ca 0.39 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 62.00 2gcf n THR 51 Cb 0.81 0.00 -0.11 0.00 -1.82 0.00 0.00 70.33 69.21 2gcf n THR 51 CO 0.00 0.00 0.00 0.28 -0.64 0.00 0.00 175.07 174.71 2gcf s THR 52 N 0.00 5.21 -1.79 12.58 -1.32 -1.26 -4.96 115.64 124.09 2gcf s THR 52 Ca 0.00 -0.23 0.00 0.00 -1.21 0.00 0.00 61.69 60.25 2gcf s THR 52 Cb 0.00 -3.67 0.00 0.00 -1.51 0.00 0.00 72.50 67.32 2gcf s THR 52 CO 0.00 0.00 0.88 -0.81 -2.21 0.00 0.00 174.62 172.48 2gcf n PRO 53 N 5.09 0.98 0.19 7.08 -0.04 -1.26 -4.54 135.00 142.50 2gcf n PRO 53 Ca -0.13 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.47 2gcf n PRO 53 Cb 0.50 -1.10 0.60 0.00 -0.04 0.00 0.00 33.50 33.45 2gcf n PRO 53 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2gcf h GLN 54 N 0.00 0.00 0.05 0.54 3.07 -1.98 -2.29 115.11 114.50 2gcf h GLN 54 Ca 0.00 0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.47 2gcf h GLN 54 Cb 0.10 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.64 2gcf h GLN 54 CO 0.00 0.00 -1.39 0.82 0.09 0.00 0.00 178.83 178.35 2gcf h ILE 55 N 0.00 1.27 0.00 1.86 5.03 -1.99 0.18 117.51 123.87 2gcf h ILE 55 Ca 0.00 -2.98 0.00 0.00 -0.12 0.00 0.00 64.86 61.76 2gcf h ILE 55 Cb 0.36 2.71 0.00 0.00 -3.03 0.00 0.00 36.82 36.87 2gcf h ILE 55 CO 0.00 0.80 0.00 0.00 -0.68 0.00 0.00 178.15 178.27 2gcf n LEU 56 N -3.33 0.10 0.05 1.44 -0.00 -1.16 -2.32 117.00 111.78 2gcf n LEU 56 Ca -0.11 0.51 -0.06 0.00 -0.00 0.00 0.00 56.01 56.35 2gcf n LEU 56 Cb 1.01 -0.48 -0.04 0.00 -0.00 0.00 0.00 43.42 43.91 2gcf n LEU 56 CO 0.48 -0.08 0.18 0.74 -0.00 0.00 0.00 177.39 178.71 2gcf h THR 57 N 0.00 0.30 -0.97 1.47 2.02 -0.96 -3.26 112.91 111.51 2gcf h THR 57 Ca 0.00 -0.99 0.24 0.00 0.77 0.00 0.00 66.41 66.43 2gcf h THR 57 Cb 0.47 0.54 -0.18 0.00 -1.74 0.00 0.00 68.15 67.24 2gcf h THR 57 CO 0.00 0.09 -0.06 -0.78 0.37 0.00 0.00 175.52 175.14 2gcf h ASP 58 N -1.02 -0.60 0.31 4.18 3.58 -0.70 0.26 116.42 122.42 2gcf h ASP 58 Ca -0.02 0.28 0.00 0.00 0.42 0.00 0.00 57.03 57.71 2gcf h ASP 58 Cb 0.33 0.52 0.00 0.00 1.72 0.00 0.00 39.33 41.89 2gcf h ASP 58 CO 0.04 -0.34 0.00 0.00 -2.88 0.00 0.00 179.24 176.06 2gcf n ALA 59 N -3.27 2.09 -0.09 -0.78 0.00 -0.98 -0.89 120.51 116.60 2gcf n ALA 59 Ca 0.20 -0.10 -0.14 0.00 0.00 0.00 0.00 53.44 53.41 2gcf n ALA 59 Cb 0.66 -1.33 -0.14 0.00 0.00 0.00 0.00 19.45 18.64 2gcf n ALA 59 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2gcf n VAL 60 N -1.23 1.50 -0.19 0.00 0.24 0.79 -4.49 118.33 114.94 2gcf n VAL 60 Ca 0.11 -0.74 -0.01 0.00 -2.04 0.00 0.00 64.34 61.65 2gcf n VAL 60 Cb 0.14 -0.99 0.09 0.00 -1.47 0.00 0.00 33.84 31.61 2gcf n VAL 60 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2gcf h GLU 61 N 0.01 0.41 -0.85 7.34 4.39 -0.50 0.08 114.58 125.46 2gcf h GLU 61 Ca -0.51 -0.02 0.25 0.00 0.34 0.00 0.00 59.36 59.41 2gcf h GLU 61 Cb 2.08 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 30.60 2gcf h GLU 61 CO 0.01 0.27 0.66 -2.13 -1.16 0.00 0.00 179.01 176.66 2gcf n ARG 62 N -4.97 0.00 0.00 2.33 0.00 -0.07 -1.34 116.66 112.62 2gcf n ARG 62 Ca 0.07 0.51 0.06 0.00 -0.00 0.00 0.00 57.85 58.48 2gcf n ARG 62 Cb 0.23 -1.19 -0.00 0.00 0.00 0.00 0.00 32.46 31.50 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 -2.29 2.90 -0.81 5.13 0.00 -0.00 -4.96 120.51 120.47 2gcf n ALA 63 Ca 0.19 -0.46 0.00 0.00 0.00 0.00 0.00 53.44 53.17 2gcf n ALA 63 Cb 0.91 -0.40 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 0.94 0.58 3.47 0.00 0.00 -0.45 -4.90 105.19 104.84 2gcf n GLY 64 Ca 0.05 -0.11 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.00 2.30 0.00 1.61 2.02 -1.10 -4.82 117.35 115.36 2gcf s TYR 65 Ca 0.00 -0.33 0.00 0.00 -0.37 0.00 0.00 57.07 56.37 2gcf s TYR 65 Cb 0.00 -1.00 0.00 0.00 -0.40 0.00 0.00 41.96 40.56 2gcf s TYR 65 CO 0.00 0.71 0.00 0.72 -1.57 0.00 0.00 175.55 175.41 2gcf n HIS 66 N -0.61 0.00 -4.40 2.71 8.25 -0.44 -3.00 115.22 117.72 2gcf n HIS 66 Ca -0.05 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 2gcf n HIS 66 Cb 0.60 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.60 2gcf n HIS 66 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2gcf s ALA 67 N -2.00 2.39 -0.06 -1.41 0.00 -1.26 -0.30 121.76 119.12 2gcf s ALA 67 Ca 0.00 -1.69 -0.01 0.00 0.00 0.00 0.00 51.96 50.26 2gcf s ALA 67 Cb 0.00 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.92 2gcf s ALA 67 CO 0.00 0.27 -0.01 -0.98 0.00 0.00 0.00 175.76 175.04 2gcf s ARG 68 N -3.16 0.64 -0.20 0.00 1.70 0.35 -4.59 118.95 113.69 2gcf s ARG 68 Ca 0.23 0.05 -0.11 0.00 -0.47 0.00 0.00 55.73 55.43 2gcf s ARG 68 Cb -0.05 -0.90 -0.05 0.00 -0.57 0.00 0.00 34.95 33.38 2gcf s ARG 68 CO 0.10 -0.23 0.16 0.08 -1.08 0.00 0.00 175.30 174.32 2gcf s VAL 69 N 1.63 5.39 -0.06 4.99 1.01 -1.26 -1.38 120.40 130.72 2gcf s VAL 69 Ca -0.00 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.16 2gcf s VAL 69 Cb -0.13 -3.50 -0.04 0.00 0.00 0.00 0.00 36.38 32.71 2gcf s VAL 69 CO -0.04 0.42 0.18 -1.48 0.00 0.00 0.00 175.10 174.19 2gcf s LEU 70 N 0.45 4.38 0.48 3.92 2.34 -1.26 -5.01 118.68 123.98 2gcf s LEU 70 Ca 0.09 0.45 0.32 0.00 0.06 0.00 0.00 54.13 55.05 2gcf s LEU 70 Cb -0.11 -2.37 1.53 0.00 -0.56 0.00 0.00 46.19 44.68 2gcf s LEU 70 CO -0.01 0.33 1.97 0.50 -1.06 0.00 0.00 176.35 178.09 2gcf h LYS 71 N 4.40 0.00 0.00 1.48 3.11 -2.02 -3.48 116.57 120.06 2gcf h LYS 71 Ca -0.52 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.32 2gcf h LYS 71 Cb 1.21 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.44 2gcf h LYS 71 CO 0.63 0.00 0.00 0.94 -2.81 0.00 0.00 179.45 178.21 2gcf n GLN 72 N -2.75 0.00 0.00 1.90 7.27 -1.26 -5.30 117.38 117.24 2gcf n GLN 72 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2gcf n GLN 72 Cb 0.18 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.83 2gcf n GLN 72 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07