#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl s LYS 3 N 0.00 0.90 -0.59 0.00 2.36 -1.26 -5.08 119.74 116.06 1xbl s LYS 3 Ca 0.00 -1.38 -0.26 0.00 -2.55 0.00 0.00 55.97 51.78 1xbl s LYS 3 Cb 0.00 -0.23 -0.10 0.00 -1.05 0.00 0.00 37.83 36.45 1xbl s LYS 3 CO 0.00 -0.04 2.46 0.00 1.55 0.00 0.00 175.35 179.32 1xbl n GLN 4 N -0.09 0.84 -4.21 4.03 0.00 -1.26 -4.87 117.38 111.83 1xbl n GLN 4 Ca -0.11 -0.07 -0.14 0.00 0.00 0.00 0.00 57.00 56.68 1xbl n GLN 4 Cb 0.61 -3.17 -0.09 0.00 0.00 0.00 0.00 30.24 27.59 1xbl n GLN 4 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.06 177.40 1xbl s ASP 5 N 11.56 0.49 0.00 2.61 2.15 -1.26 -5.08 116.67 127.14 1xbl s ASP 5 Ca 1.03 -1.46 0.00 0.00 0.43 0.00 0.00 52.55 52.55 1xbl s ASP 5 Cb -0.33 0.43 0.00 0.00 -0.30 0.00 0.00 42.92 42.72 1xbl s ASP 5 CO 0.28 -0.90 0.00 -1.22 -0.17 0.00 0.00 175.17 173.16 1xbl n TYR 6 N -0.35 0.00 0.03 -5.34 4.01 -1.26 -4.83 117.16 109.41 1xbl n TYR 6 Ca 0.03 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.61 1xbl n TYR 6 Cb 0.65 0.00 -0.14 0.00 -0.31 0.00 0.00 39.34 39.54 1xbl n TYR 6 CO 0.00 0.00 0.00 1.88 -0.46 0.00 0.00 176.86 178.28 1xbl h TYR 7 N 0.00 0.36 0.00 -0.72 -1.99 -1.90 -1.04 116.97 111.67 1xbl h TYR 7 Ca 0.00 -0.26 -0.08 0.00 2.00 0.00 0.00 58.73 60.39 1xbl h TYR 7 Cb 0.07 -0.01 -0.01 0.00 2.00 0.00 0.00 36.73 38.77 1xbl h TYR 7 CO 0.00 1.42 -0.40 1.49 -0.00 0.00 0.00 178.16 180.67 1xbl h GLU 8 N 0.05 0.00 0.12 4.88 4.81 -1.91 0.29 114.58 122.82 1xbl h GLU 8 Ca -0.31 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 58.92 1xbl h GLU 8 Cb 2.02 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 31.40 1xbl h GLU 8 CO 0.12 0.40 -0.08 0.82 -0.73 0.00 0.00 179.01 179.54 1xbl h ILE 9 N 0.00 0.83 0.00 2.32 2.04 -1.86 -2.02 117.51 118.82 1xbl h ILE 9 Ca -0.00 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.81 1xbl h ILE 9 Cb 1.23 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 1xbl h ILE 9 CO 0.05 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.89 1xbl h LEU 10 N -0.20 0.00 -1.97 1.44 3.38 -1.15 -3.48 115.31 113.33 1xbl h LEU 10 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1xbl h LEU 10 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 1xbl h LEU 10 CO 0.01 0.24 0.00 0.61 0.09 0.00 0.00 178.44 179.39 1xbl n GLY 11 N 0.01 0.71 3.82 0.83 0.00 0.81 -4.74 105.19 106.63 1xbl n GLY 11 Ca -0.00 -0.39 -0.07 0.00 0.00 0.00 0.00 46.02 45.55 1xbl n GLY 11 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xbl s VAL 12 N -2.67 0.00 0.70 1.61 0.11 -0.06 -4.98 120.40 115.11 1xbl s VAL 12 Ca 0.00 -0.91 -0.17 0.00 -2.93 0.00 0.00 61.98 57.97 1xbl s VAL 12 Cb 0.00 -1.92 0.02 0.00 -1.53 0.00 0.00 36.38 32.95 1xbl s VAL 12 CO 0.00 0.00 1.27 -0.24 -3.33 0.00 0.00 175.10 172.80 1xbl n SER 13 N -0.45 1.77 0.29 3.54 2.88 -1.26 -4.23 113.62 116.16 1xbl n SER 13 Ca -0.05 0.76 0.19 0.00 -1.33 0.00 0.00 58.87 58.44 1xbl n SER 13 Cb 0.60 -1.54 0.97 0.00 -0.75 0.00 0.00 64.21 63.48 1xbl n SER 13 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 1xbl h LYS 14 N 0.09 0.00 -1.40 -1.46 1.57 -2.02 -0.28 116.57 113.07 1xbl h LYS 14 Ca -0.50 0.00 -0.41 0.00 -1.87 0.00 0.00 60.65 57.88 1xbl h LYS 14 Cb 1.33 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.24 1xbl h LYS 14 CO 0.51 0.00 -1.20 0.25 -0.57 0.00 0.00 179.45 178.44 1xbl n THR 15 N -2.91 0.55 -1.68 -0.16 -2.24 -1.26 -4.92 114.28 101.66 1xbl n THR 15 Ca -0.02 -3.67 -0.38 0.00 -2.27 0.00 0.00 64.05 57.71 1xbl n THR 15 Cb 0.13 0.29 0.05 0.00 -2.10 0.00 0.00 70.33 68.70 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl n ALA 16 N 0.07 0.78 -1.77 6.98 0.00 -0.12 -4.93 120.51 121.53 1xbl n ALA 16 Ca 0.16 0.05 -0.41 0.00 0.00 0.00 0.00 53.44 53.23 1xbl n ALA 16 Cb 0.75 -2.22 -0.01 0.00 0.00 0.00 0.00 19.45 17.97 1xbl n ALA 16 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1xbl n GLU 17 N -1.14 2.69 -0.35 0.00 2.13 -1.26 -4.77 120.64 117.94 1xbl n GLU 17 Ca 0.13 0.95 0.08 0.00 0.66 0.00 0.00 57.16 58.98 1xbl n GLU 17 Cb 0.46 -2.69 0.26 0.00 0.27 0.00 0.00 31.44 29.74 1xbl n GLU 17 CO 0.00 0.00 0.00 1.49 -0.41 0.00 0.00 177.13 178.21 1xbl h GLU 18 N 3.56 0.92 -0.97 5.31 4.81 -1.91 0.36 114.58 126.66 1xbl h GLU 18 Ca -0.49 -0.06 0.25 0.00 -0.13 0.00 0.00 59.36 58.93 1xbl h GLU 18 Cb 1.24 -0.21 -0.13 0.00 0.63 0.00 0.00 28.75 30.28 1xbl h GLU 18 CO 0.69 0.61 0.52 -0.09 -0.73 0.00 0.00 179.01 180.01 1xbl h ARG 19 N 0.95 0.46 0.14 1.92 2.43 -2.01 0.11 114.38 118.39 1xbl h ARG 19 Ca 0.49 -0.03 -0.30 0.00 -0.81 0.00 0.00 59.98 59.33 1xbl h ARG 19 Cb 0.52 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1xbl h ARG 19 CO -0.26 0.30 -1.42 1.49 -1.51 0.00 0.00 179.97 178.58 1xbl h GLU 20 N 0.47 0.30 -0.79 0.20 4.81 -0.78 -3.27 114.58 115.53 1xbl h GLU 20 Ca 0.63 -0.51 0.16 0.00 -0.13 0.00 0.00 59.36 59.51 1xbl h GLU 20 Cb 1.25 0.19 -0.05 0.00 0.63 0.00 0.00 28.75 30.76 1xbl h GLU 20 CO -0.52 1.20 0.52 0.82 -0.73 0.00 0.00 179.01 180.31 1xbl h ILE 21 N 0.08 0.78 -0.13 2.32 1.08 0.92 0.39 117.51 122.95 1xbl h ILE 21 Ca -0.21 -0.15 0.04 0.00 -0.39 0.00 0.00 64.86 64.16 1xbl h ILE 21 Cb 2.02 0.31 -0.05 0.00 -3.07 0.00 0.00 36.82 36.03 1xbl h ILE 21 CO 0.19 0.08 -0.20 -0.09 -0.69 0.00 0.00 178.15 177.44 1xbl h ARG 22 N 0.43 -0.25 -0.30 2.37 9.65 -0.91 0.16 114.38 125.52 1xbl h ARG 22 Ca 0.39 0.02 0.02 0.00 -1.10 0.00 0.00 59.98 59.31 1xbl h ARG 22 Cb 0.89 0.06 -0.03 0.00 -1.39 0.00 0.00 29.97 29.50 1xbl h ARG 22 CO -0.13 -0.17 0.14 0.87 2.80 0.00 0.00 179.97 183.48 1xbl h LYS 23 N -0.26 0.29 0.34 0.20 6.56 -0.43 -0.63 116.57 122.63 1xbl h LYS 23 Ca 0.10 -0.02 -0.00 0.00 -1.06 0.00 0.00 60.65 59.67 1xbl h LYS 23 Cb 0.40 -0.07 -0.03 0.00 -0.57 0.00 0.00 32.23 31.96 1xbl h LYS 23 CO -0.28 0.19 -0.46 0.00 -2.06 0.00 0.00 179.45 176.85 1xbl h ALA 24 N 1.16 -0.95 -0.42 3.86 0.00 -0.47 0.12 119.26 122.56 1xbl h ALA 24 Ca 0.13 -0.14 0.07 0.00 0.00 0.00 0.00 54.91 54.97 1xbl h ALA 24 Cb 0.06 0.70 -0.06 0.00 0.00 0.00 0.00 17.79 18.48 1xbl h ALA 24 CO -0.10 -1.09 0.05 -0.92 0.00 0.00 0.00 179.25 177.20 1xbl h TYR 25 N -0.84 0.07 0.02 0.00 5.03 -0.81 0.16 116.97 120.59 1xbl h TYR 25 Ca -0.03 0.03 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 1xbl h TYR 25 Cb 0.78 0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.09 1xbl h TYR 25 CO -0.29 -0.03 -0.01 -0.22 -1.32 0.00 0.00 178.16 176.29 1xbl h LYS 26 N 0.17 -0.03 -0.21 1.82 3.11 -0.88 0.69 116.57 121.24 1xbl h LYS 26 Ca 0.20 0.00 0.03 0.00 -2.81 0.00 0.00 60.65 58.08 1xbl h LYS 26 Cb 0.27 0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.47 1xbl h LYS 26 CO -0.30 0.12 -0.01 -0.09 -2.81 0.00 0.00 179.45 176.37 1xbl h ARG 27 N -0.17 0.06 -0.20 1.90 9.65 -0.33 -1.17 114.38 124.12 1xbl h ARG 27 Ca -0.00 -0.00 0.05 0.00 -1.10 0.00 0.00 59.98 58.92 1xbl h ARG 27 Cb 0.16 -0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.68 1xbl h ARG 27 CO 0.00 0.04 -0.12 -0.07 2.80 0.00 0.00 179.97 182.62 1xbl h LEU 28 N 0.06 -0.39 -0.86 3.80 3.38 -0.54 0.33 115.31 121.08 1xbl h LEU 28 Ca 0.10 0.09 0.12 0.00 0.09 0.00 0.00 57.88 58.28 1xbl h LEU 28 Cb 0.13 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.00 1xbl h LEU 28 CO -0.17 -0.16 0.48 0.00 0.09 0.00 0.00 178.44 178.69 1xbl h ALA 29 N 1.04 1.27 0.00 1.53 0.00 -0.45 0.15 119.26 122.80 1xbl h ALA 29 Ca 0.11 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1xbl h ALA 29 Cb 0.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1xbl h ALA 29 CO -0.27 0.04 0.00 -1.33 0.00 0.00 0.00 179.25 177.69 1xbl n MET 30 N -4.78 0.06 0.00 0.00 2.81 -0.48 -2.32 117.12 112.41 1xbl n MET 30 Ca 0.16 0.08 0.00 0.00 -1.81 0.00 0.00 57.70 56.13 1xbl n MET 30 Cb 0.36 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.30 1xbl n MET 30 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1xbl n LYS 31 N -1.67 0.00 0.09 0.03 4.81 0.10 -4.48 118.16 117.06 1xbl n LYS 31 Ca 0.06 0.19 -0.06 0.00 -0.87 0.00 0.00 58.31 57.63 1xbl n LYS 31 Cb 0.33 -0.75 0.05 0.00 0.02 0.00 0.00 35.03 34.69 1xbl n LYS 31 CO 0.00 0.00 0.00 0.10 1.17 0.00 0.00 177.40 178.67 1xbl h TYR 32 N 0.00 0.19 -3.05 5.64 -0.00 -1.67 -3.48 116.97 114.60 1xbl h TYR 32 Ca 0.00 -0.09 -0.02 0.00 0.00 0.00 0.00 58.73 58.61 1xbl h TYR 32 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 36.71 1xbl h TYR 32 CO 0.01 0.85 -0.37 1.58 -0.00 0.00 0.00 178.16 180.23 1xbl n HIS 33 N -3.70 -0.14 0.00 0.10 -0.00 -0.98 -4.96 115.22 105.53 1xbl n HIS 33 Ca -0.02 0.06 0.00 0.00 0.46 0.00 0.00 57.72 58.22 1xbl n HIS 33 Cb 0.74 -0.40 0.00 0.00 -0.12 0.00 0.00 29.99 30.20 1xbl n HIS 33 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1xbl n PRO 34 N 0.66 0.00 -2.78 1.57 -0.04 -1.26 -5.00 135.00 128.14 1xbl n PRO 34 Ca -0.00 0.05 -0.02 0.00 -0.04 0.00 0.00 63.50 63.48 1xbl n PRO 34 Cb 0.19 -0.77 -0.02 0.00 -0.04 0.00 0.00 33.50 32.86 1xbl n PRO 34 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1xbl n ASP 35 N -0.64 -4.23 -3.87 3.54 8.00 -1.26 -4.29 116.55 113.79 1xbl n ASP 35 Ca 0.00 1.17 -0.39 0.00 0.71 0.00 0.00 54.79 56.29 1xbl n ASP 35 Cb 0.00 -3.28 0.03 0.00 -0.02 0.00 0.00 41.12 37.85 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 1xbl n ARG 36 N 2.14 -0.81 -3.56 -1.24 1.85 -1.26 -4.98 116.66 108.80 1xbl n ARG 36 Ca -0.18 0.28 -0.28 0.00 -1.00 0.00 0.00 57.85 56.66 1xbl n ARG 36 Cb 0.28 -3.39 -0.12 0.00 -1.05 0.00 0.00 32.46 28.18 1xbl n ARG 36 CO 0.00 0.00 0.00 1.21 -0.01 0.00 0.00 177.63 178.83 1xbl s ASN 37 N -3.52 2.83 -0.30 2.89 2.47 -1.26 -5.00 114.94 113.05 1xbl s ASN 37 Ca 0.47 -2.87 -0.07 0.00 0.42 0.00 0.00 52.86 50.81 1xbl s ASN 37 Cb -0.21 -0.75 0.01 0.00 -1.45 0.00 0.00 41.25 38.84 1xbl s ASN 37 CO 0.91 -0.21 0.20 1.67 -3.72 0.00 0.00 177.10 175.95 1xbl n GLN 38 N 3.16 -2.58 -0.80 0.43 7.27 -1.26 -4.75 117.38 118.84 1xbl n GLN 38 Ca 0.19 2.20 -0.10 0.00 0.07 0.00 0.00 57.00 59.36 1xbl n GLN 38 Cb 0.40 -4.46 -0.14 0.00 2.41 0.00 0.00 30.24 28.46 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1xbl n GLY 39 N 0.50 2.61 3.82 1.69 0.00 -1.26 -4.67 105.19 107.87 1xbl n GLY 39 Ca 0.02 -0.96 -0.32 0.00 0.00 0.00 0.00 46.02 44.76 1xbl n GLY 39 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1xbl s ASP 40 N 2.19 5.77 0.56 1.61 2.15 -1.26 -4.89 116.67 122.80 1xbl s ASP 40 Ca 0.53 1.70 0.25 0.00 0.43 0.00 0.00 52.55 55.47 1xbl s ASP 40 Cb 0.25 -2.51 1.59 0.00 -0.30 0.00 0.00 42.92 41.95 1xbl s ASP 40 CO 0.00 -1.18 2.17 0.11 -0.17 0.00 0.00 175.17 176.10 1xbl h LYS 41 N 0.07 0.00 0.56 4.34 1.57 -1.98 -1.34 116.57 119.80 1xbl h LYS 41 Ca -0.46 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.30 1xbl h LYS 41 Cb 1.21 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.53 1xbl h LYS 41 CO 0.58 0.00 -0.27 1.05 -0.57 0.00 0.00 179.45 180.24 1xbl h GLU 42 N 0.00 -0.73 -0.86 3.15 -0.00 -1.93 0.28 114.58 114.50 1xbl h GLU 42 Ca 0.04 0.05 0.12 0.00 -0.00 0.00 0.00 59.36 59.57 1xbl h GLU 42 Cb 0.20 0.17 -0.08 0.00 -0.00 0.00 0.00 28.75 29.03 1xbl h GLU 42 CO -0.00 -0.47 0.48 0.00 -0.00 0.00 0.00 179.01 179.02 1xbl h ALA 43 N -1.15 1.26 0.37 1.06 0.00 -1.78 0.89 119.26 119.90 1xbl h ALA 43 Ca -0.08 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1xbl h ALA 43 Cb 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1xbl h ALA 43 CO 0.13 0.04 -0.18 1.49 0.00 0.00 0.00 179.25 180.73 1xbl h GLU 44 N 0.76 -0.48 -0.85 0.00 4.81 -1.25 -2.49 114.58 115.08 1xbl h GLU 44 Ca 0.44 0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.73 1xbl h GLU 44 Cb 0.49 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 29.93 1xbl h GLU 44 CO -0.29 -0.28 0.56 0.00 -0.73 0.00 0.00 179.01 178.26 1xbl h ALA 45 N 0.06 1.46 -0.85 2.92 0.00 0.17 0.81 119.26 123.82 1xbl h ALA 45 Ca -0.05 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xbl h ALA 45 Cb 0.41 -0.31 -0.07 0.00 0.00 0.00 0.00 17.79 17.82 1xbl h ALA 45 CO 0.08 0.47 0.50 -0.22 0.00 0.00 0.00 179.25 180.08 1xbl h LYS 46 N 1.08 0.82 -0.13 0.00 3.64 -0.67 0.92 116.57 122.23 1xbl h LYS 46 Ca 0.33 -0.05 -0.18 0.00 -1.27 0.00 0.00 60.65 59.48 1xbl h LYS 46 Cb -0.01 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.62 1xbl h LYS 46 CO -0.09 0.54 -0.67 0.35 -2.27 0.00 0.00 179.45 177.31 1xbl h PHE 47 N 0.84 0.68 -0.87 1.91 3.57 -0.60 -3.21 116.94 119.26 1xbl h PHE 47 Ca 0.41 -0.28 0.07 0.00 3.53 0.00 0.00 57.97 61.70 1xbl h PHE 47 Cb 0.35 -0.11 -0.06 0.00 2.79 0.00 0.00 35.95 38.92 1xbl h PHE 47 CO -0.05 1.04 0.53 0.87 -2.23 0.00 0.00 178.31 178.47 1xbl h LYS 48 N 0.37 0.92 -0.09 1.11 1.57 0.13 0.16 116.57 120.75 1xbl h LYS 48 Ca -0.02 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 58.75 1xbl h LYS 48 Cb 1.24 -0.21 -0.06 0.00 0.08 0.00 0.00 32.23 33.29 1xbl h LYS 48 CO 0.12 0.61 -0.27 0.93 -0.57 0.00 0.00 179.45 180.27 1xbl h GLU 49 N 0.95 -0.35 -0.52 3.15 5.08 -1.04 0.20 114.58 122.05 1xbl h GLU 49 Ca 0.39 0.02 -0.05 0.00 -1.00 0.00 0.00 59.36 58.72 1xbl h GLU 49 Cb 0.22 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1xbl h GLU 49 CO -0.19 -0.23 0.11 0.82 -1.00 0.00 0.00 179.01 178.52 1xbl h ILE 50 N -0.36 1.25 -0.75 3.13 2.04 -1.38 -0.04 117.51 121.39 1xbl h ILE 50 Ca 0.09 -0.89 -0.03 0.00 1.00 0.00 0.00 64.86 65.03 1xbl h ILE 50 Cb 0.49 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.36 1xbl h ILE 50 CO -0.30 0.32 0.36 0.50 0.00 0.00 0.00 178.15 179.03 1xbl h LYS 51 N 0.73 1.08 -0.09 2.37 3.64 -0.30 0.24 116.57 124.24 1xbl h LYS 51 Ca 0.16 -0.16 -0.07 0.00 -1.27 0.00 0.00 60.65 59.31 1xbl h LYS 51 Cb 0.36 -0.19 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1xbl h LYS 51 CO 0.00 0.84 -0.21 1.49 -2.27 0.00 0.00 179.45 179.30 1xbl h GLU 52 N 1.05 0.31 -0.36 1.90 4.22 -0.28 -0.55 114.58 120.86 1xbl h GLU 52 Ca 0.26 -0.21 0.08 0.00 0.08 0.00 0.00 59.36 59.56 1xbl h GLU 52 Cb 0.12 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.32 1xbl h GLU 52 CO -0.03 0.81 -0.19 0.00 -2.18 0.00 0.00 179.01 177.42 1xbl h ALA 53 N 0.50 0.08 -0.34 2.92 0.00 -0.89 0.67 119.26 122.19 1xbl h ALA 53 Ca -0.00 0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 1xbl h ALA 53 Cb 0.81 0.45 -0.04 0.00 0.00 0.00 0.00 17.79 19.01 1xbl h ALA 53 CO 0.05 -0.57 0.10 -0.92 0.00 0.00 0.00 179.25 177.91 1xbl h TYR 54 N -0.13 0.18 -0.06 0.00 3.20 -0.46 0.93 116.97 120.62 1xbl h TYR 54 Ca 0.18 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1xbl h TYR 54 Cb 0.41 -0.03 -0.05 0.00 1.54 0.00 0.00 36.73 38.60 1xbl h TYR 54 CO -0.41 0.06 -0.21 1.49 -1.64 0.00 0.00 178.16 177.46 1xbl h GLU 55 N 0.24 -0.28 -0.50 1.82 4.81 -0.17 -0.31 114.58 120.18 1xbl h GLU 55 Ca 0.16 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1xbl h GLU 55 Cb 0.15 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 1xbl h GLU 55 CO -0.18 -0.19 0.22 0.28 -0.73 0.00 0.00 179.01 178.41 1xbl h VAL 56 N -0.29 1.20 -0.00 0.32 2.07 -0.00 0.49 116.25 120.04 1xbl h VAL 56 Ca 0.08 -0.60 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1xbl h VAL 56 Cb 0.41 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.84 1xbl h VAL 56 CO -0.23 0.23 -0.30 -0.07 0.02 0.00 0.00 177.57 177.21 1xbl h LEU 57 N 0.66 0.00 0.00 2.57 3.38 -0.55 0.01 115.31 121.39 1xbl h LEU 57 Ca 0.17 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1xbl h LEU 57 Cb 0.16 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1xbl h LEU 57 CO -0.02 0.31 -0.24 0.35 0.09 0.00 0.00 178.44 178.92 1xbl n THR 58 N -4.18 0.08 -1.21 0.22 -2.24 -0.15 -4.82 114.28 101.98 1xbl n THR 58 Ca -0.02 -0.05 -0.10 0.00 -2.27 0.00 0.00 64.05 61.61 1xbl n THR 58 Cb 0.35 -0.19 0.07 0.00 -2.10 0.00 0.00 70.33 68.46 1xbl n THR 58 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1xbl n ASP 59 N -1.62 -0.21 0.00 3.42 -0.08 0.16 -5.05 116.55 113.17 1xbl n ASP 59 Ca 0.06 -1.09 0.00 0.00 -1.51 0.00 0.00 54.79 52.25 1xbl n ASP 59 Cb 0.35 -0.35 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1xbl n ASP 59 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 1xbl n SER 60 N -3.36 0.00 0.18 1.67 2.88 -1.26 -4.59 113.62 109.15 1xbl n SER 60 Ca 0.06 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.44 1xbl n SER 60 Cb 0.20 0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.61 1xbl n SER 60 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 1xbl h GLN 61 N 0.00 -0.69 -0.64 -1.46 4.15 -1.97 -2.15 115.11 112.34 1xbl h GLN 61 Ca 0.00 0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.40 1xbl h GLN 61 Cb 0.00 0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.82 1xbl h GLN 61 CO 0.00 -0.46 0.12 0.87 -1.93 0.00 0.00 178.83 177.43 1xbl h LYS 62 N -0.72 1.02 -2.03 1.69 1.57 -1.90 -1.55 116.57 114.65 1xbl h LYS 62 Ca -0.00 -0.25 -0.02 0.00 -1.87 0.00 0.00 60.65 58.50 1xbl h LYS 62 Cb 0.69 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1xbl h LYS 62 CO -0.15 0.93 -0.03 -2.13 -0.57 0.00 0.00 179.45 177.49 1xbl n ARG 63 N -4.23 0.93 0.00 3.15 0.00 -0.83 -1.54 116.66 114.14 1xbl n ARG 63 Ca 0.04 -0.13 0.00 0.00 -0.00 0.00 0.00 57.85 57.76 1xbl n ARG 63 Cb 0.27 -1.23 0.00 0.00 0.00 0.00 0.00 32.46 31.50 1xbl n ARG 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1xbl n ALA 64 N 1.76 0.00 0.10 5.13 0.00 -1.06 -4.80 120.51 121.64 1xbl n ALA 64 Ca 0.06 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.36 1xbl n ALA 64 Cb 0.46 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.82 1xbl n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 65 N 0.00 -0.25 -0.82 0.00 0.00 -1.18 0.63 119.26 117.64 1xbl h ALA 65 Ca 0.00 -0.16 0.16 0.00 0.00 0.00 0.00 54.91 54.91 1xbl h ALA 65 Cb 0.00 0.10 -0.10 0.00 0.00 0.00 0.00 17.79 17.79 1xbl h ALA 65 CO 0.00 -0.51 0.38 -0.92 0.00 0.00 0.00 179.25 178.20 1xbl h TYR 66 N -0.52 0.65 0.01 0.00 3.20 -1.52 0.48 116.97 119.27 1xbl h TYR 66 Ca -0.03 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.88 1xbl h TYR 66 Cb 0.39 -0.16 0.00 0.00 1.54 0.00 0.00 36.73 38.50 1xbl h TYR 66 CO 0.01 0.09 -0.01 -0.44 -1.64 0.00 0.00 178.16 176.18 1xbl h ASP 67 N 0.52 -0.01 0.00 -2.11 3.32 -1.74 -3.42 116.42 112.96 1xbl h ASP 67 Ca 0.46 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1xbl h ASP 67 Cb 0.72 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.28 1xbl h ASP 67 CO -0.41 0.06 0.00 1.67 -1.72 0.00 0.00 179.24 178.84 1xbl n GLN 68 N -5.06 0.00 -2.74 3.56 7.27 0.33 -4.97 117.38 115.76 1xbl n GLN 68 Ca -0.07 0.03 -0.01 0.00 0.07 0.00 0.00 57.00 57.01 1xbl n GLN 68 Cb 0.07 -0.24 0.10 0.00 2.41 0.00 0.00 30.24 32.57 1xbl n GLN 68 CO 0.00 0.00 0.00 2.48 0.07 0.00 0.00 177.06 179.61 1xbl n TYR 69 N -1.64 -0.71 -1.17 3.69 4.11 0.93 -3.70 117.16 118.66 1xbl n TYR 69 Ca 0.00 -1.89 -0.32 0.00 -0.00 0.00 0.00 57.90 55.68 1xbl n TYR 69 Cb 0.00 0.83 -0.12 0.00 -0.00 0.00 0.00 39.34 40.06 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1xbl n GLY 70 N -1.16 -0.38 3.72 -7.48 0.00 0.13 -0.43 105.19 99.58 1xbl n GLY 70 Ca -0.08 0.91 -0.26 0.00 0.00 0.00 0.00 46.02 46.59 1xbl n GLY 70 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1xbl n HIS 71 N 8.20 -1.89 -3.25 1.61 -0.00 -1.26 -2.38 115.22 116.26 1xbl n HIS 71 Ca 0.52 0.65 -0.10 0.00 0.46 0.00 0.00 57.72 59.25 1xbl n HIS 71 Cb 0.02 -3.81 0.03 0.00 -0.12 0.00 0.00 29.99 26.10 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1xbl n ALA 72 N -4.19 -2.53 0.13 1.57 0.00 0.43 -4.98 120.51 110.94 1xbl n ALA 72 Ca -0.20 -0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.17 1xbl n ALA 72 Cb 0.64 -2.97 -0.03 0.00 0.00 0.00 0.00 19.45 17.09 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl h ALA 73 N 0.41 -0.53 -2.08 0.00 0.00 -1.16 -3.38 119.26 112.52 1xbl h ALA 73 Ca -0.30 -0.08 -0.73 0.00 0.00 0.00 0.00 54.91 53.80 1xbl h ALA 73 Cb 1.16 0.15 -0.22 0.00 0.00 0.00 0.00 17.79 18.88 1xbl h ALA 73 CO 0.37 -0.51 -0.11 -0.59 0.00 0.00 0.00 179.25 178.41 1xbl s PHE 74 N -2.89 3.15 -0.06 0.00 -0.71 -1.24 -4.71 117.98 111.51 1xbl s PHE 74 Ca -0.06 -1.01 0.09 0.00 -1.04 0.00 0.00 56.93 54.91 1xbl s PHE 74 Cb 0.01 -3.69 0.13 0.00 -1.21 0.00 0.00 43.02 38.26 1xbl s PHE 74 CO 0.17 -1.05 1.02 0.39 -1.34 0.00 0.00 175.22 174.40 1xbl n GLU 75 N 5.68 1.21 0.00 1.99 -0.58 -1.26 -4.87 120.64 122.81 1xbl n GLU 75 Ca -0.11 -1.79 0.00 0.00 -0.42 0.00 0.00 57.16 54.84 1xbl n GLU 75 Cb 0.42 -1.07 0.00 0.00 -0.57 0.00 0.00 31.44 30.22 1xbl n GLU 75 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59