#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 0.88 1.03 0.00 2.47 -1.26 -5.07 119.74 117.79 1xbl s LYS 3 Ca 0.00 -0.06 -0.11 0.00 -1.56 0.00 0.00 55.97 54.24 1xbl s LYS 3 Cb 0.00 0.41 0.21 0.00 -1.46 0.00 0.00 37.83 36.99 1xbl s LYS 3 CO 0.00 -0.33 1.09 1.14 0.16 0.00 0.00 175.35 177.41 1xbl s GLN 4 N -2.16 0.13 0.49 4.03 -2.07 -1.26 -4.93 119.66 113.90 1xbl s GLN 4 Ca -0.01 1.26 -0.23 0.00 -1.82 0.00 0.00 55.36 54.56 1xbl s GLN 4 Cb -0.01 -1.65 -0.07 0.00 -1.09 0.00 0.00 33.01 30.19 1xbl s GLN 4 CO -0.02 -3.14 1.22 -3.47 -1.32 0.00 0.00 175.29 168.56 1xbl n ASP 5 N -4.56 2.17 -0.01 12.60 2.03 -1.26 -4.91 116.55 122.62 1xbl n ASP 5 Ca 0.08 1.01 -0.01 0.00 0.52 0.00 0.00 54.79 56.38 1xbl n ASP 5 Cb 0.53 -1.49 -0.01 0.00 -0.72 0.00 0.00 41.12 39.42 1xbl n ASP 5 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1xbl n TYR 6 N -0.76 0.00 -0.26 -0.67 0.18 -1.26 -4.69 117.16 109.71 1xbl n TYR 6 Ca 0.09 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.80 1xbl n TYR 6 Cb 0.42 -0.09 0.05 0.00 -0.38 0.00 0.00 39.34 39.34 1xbl n TYR 6 CO 0.00 0.00 0.00 1.88 -2.08 0.00 0.00 176.86 176.66 1xbl h TYR 7 N 0.00 1.20 0.05 -3.48 0.05 -1.93 -1.03 116.97 111.83 1xbl h TYR 7 Ca -0.05 -0.14 -0.25 0.00 0.05 0.00 0.00 58.73 58.34 1xbl h TYR 7 Cb 1.09 -0.34 -0.02 0.00 1.01 0.00 0.00 36.73 38.48 1xbl h TYR 7 CO 0.00 0.97 -1.20 1.49 -1.05 0.00 0.00 178.16 178.38 1xbl h GLU 8 N 1.09 0.11 -0.64 4.88 4.81 -1.88 0.17 114.58 123.12 1xbl h GLU 8 Ca 0.23 -0.18 0.09 0.00 -0.13 0.00 0.00 59.36 59.37 1xbl h GLU 8 Cb 0.37 0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.75 1xbl h GLU 8 CO 0.00 1.03 0.27 0.82 -0.73 0.00 0.00 179.01 180.40 1xbl h ILE 9 N 0.03 0.80 0.05 2.32 2.04 -1.73 -2.39 117.51 118.63 1xbl h ILE 9 Ca -0.10 -0.16 -0.26 0.00 1.00 0.00 0.00 64.86 65.34 1xbl h ILE 9 Cb 1.88 0.28 0.02 0.00 -0.74 0.00 0.00 36.82 38.27 1xbl h ILE 9 CO 0.15 0.09 -1.06 -0.07 0.00 0.00 0.00 178.15 177.26 1xbl h LEU 10 N 0.47 0.84 -2.24 1.44 4.07 -1.16 -3.47 115.31 115.26 1xbl h LEU 10 Ca 0.32 -0.78 0.00 0.00 0.08 0.00 0.00 57.88 57.50 1xbl h LEU 10 Cb 0.38 -0.26 0.00 0.00 1.08 0.00 0.00 40.66 41.86 1xbl h LEU 10 CO -0.29 1.53 0.00 0.61 -1.08 0.00 0.00 178.44 179.20 1xbl n GLY 11 N 1.22 -0.31 3.51 0.83 0.00 0.60 -4.62 105.19 106.41 1xbl n GLY 11 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.89 0.00 0.36 1.61 0.11 -1.16 -4.76 120.40 115.67 1xbl s VAL 12 Ca 0.00 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 58.77 1xbl s VAL 12 Cb 0.00 -1.00 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 1xbl s VAL 12 CO 0.00 0.00 1.47 -0.55 -3.33 0.00 0.00 175.10 172.69 1xbl s SER 13 N -1.68 6.42 0.00 3.54 0.15 -1.26 -4.79 113.70 116.08 1xbl s SER 13 Ca -0.04 2.98 0.11 0.00 0.70 0.00 0.00 55.95 59.70 1xbl s SER 13 Cb -0.00 -2.66 0.67 0.00 -1.71 0.00 0.00 66.02 62.32 1xbl s SER 13 CO 0.01 -0.82 1.14 0.29 1.20 0.00 0.00 173.24 175.05 1xbl n LYS 14 N 0.73 0.57 -1.54 5.44 5.02 -1.26 -2.10 118.16 125.02 1xbl n LYS 14 Ca 0.02 0.00 -0.21 0.00 -2.02 0.00 0.00 58.31 56.10 1xbl n LYS 14 Cb 0.39 -1.31 0.08 0.00 -0.02 0.00 0.00 35.03 34.18 1xbl n LYS 14 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1xbl n THR 15 N -0.81 2.76 -3.47 -0.18 5.66 -1.26 -5.00 114.28 111.99 1xbl n THR 15 Ca 0.08 -3.58 -0.37 0.00 -3.05 0.00 0.00 64.05 57.13 1xbl n THR 15 Cb 0.04 -0.92 -0.07 0.00 -1.55 0.00 0.00 70.33 67.83 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1xbl s ALA 16 N -3.56 3.56 0.82 1.79 0.00 -0.89 -5.11 121.76 118.36 1xbl s ALA 16 Ca 0.52 -0.39 -0.12 0.00 0.00 0.00 0.00 51.96 51.97 1xbl s ALA 16 Cb 0.43 -2.48 0.08 0.00 0.00 0.00 0.00 23.12 21.15 1xbl s ALA 16 CO 0.01 0.04 1.17 -2.00 0.00 0.00 0.00 175.76 174.98 1xbl s GLU 17 N 0.58 1.92 0.40 0.00 2.12 -1.26 -4.76 118.70 117.70 1xbl s GLU 17 Ca 0.19 0.16 0.13 0.00 0.36 0.00 0.00 54.97 55.81 1xbl s GLU 17 Cb -0.14 -1.94 0.96 0.00 0.26 0.00 0.00 34.13 33.28 1xbl s GLU 17 CO 0.06 -1.64 1.89 0.93 -0.54 0.00 0.00 175.26 175.96 1xbl h GLU 18 N -1.09 0.51 0.09 4.30 4.39 -1.97 0.65 114.58 121.46 1xbl h GLU 18 Ca -0.46 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.21 1xbl h GLU 18 Cb 1.33 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.84 1xbl h GLU 18 CO 0.65 0.34 -0.14 -0.09 -1.16 0.00 0.00 179.01 178.61 1xbl h ARG 19 N 0.52 -0.27 -0.02 2.33 2.43 -1.99 0.95 114.38 118.33 1xbl h ARG 19 Ca 0.41 0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.40 1xbl h ARG 19 Cb 0.83 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.44 1xbl h ARG 19 CO -0.16 -0.18 -0.85 1.49 -1.51 0.00 0.00 179.97 178.76 1xbl h GLU 20 N -0.28 0.31 -1.00 0.20 4.57 -1.46 -2.79 114.58 114.13 1xbl h GLU 20 Ca 0.02 -0.31 0.14 0.00 -1.18 0.00 0.00 59.36 58.03 1xbl h GLU 20 Cb 0.29 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 28.87 1xbl h GLU 20 CO -0.07 0.99 0.62 0.82 -1.18 0.00 0.00 179.01 180.19 1xbl h ILE 21 N 0.19 0.86 0.00 2.32 1.08 -0.77 0.97 117.51 122.16 1xbl h ILE 21 Ca -0.05 -0.32 -0.04 0.00 -0.39 0.00 0.00 64.86 64.07 1xbl h ILE 21 Cb 1.46 -0.15 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 1xbl h ILE 21 CO 0.14 0.17 -0.18 -0.09 -0.69 0.00 0.00 178.15 177.50 1xbl h ARG 22 N 0.93 0.00 -0.21 2.37 2.43 -0.52 0.45 114.38 119.82 1xbl h ARG 22 Ca 0.52 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.68 1xbl h ARG 22 Cb 0.60 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.14 1xbl h ARG 22 CO -0.30 0.18 0.08 0.87 -1.51 0.00 0.00 179.97 179.29 1xbl h LYS 23 N 0.00 0.31 -0.25 0.20 1.79 -0.82 0.18 116.57 117.99 1xbl h LYS 23 Ca -0.00 -0.06 0.05 0.00 -2.18 0.00 0.00 60.65 58.46 1xbl h LYS 23 Cb 0.35 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 30.90 1xbl h LYS 23 CO 0.02 0.37 -0.08 0.00 -1.08 0.00 0.00 179.45 178.69 1xbl h ALA 24 N 0.92 0.14 -0.45 3.86 0.00 -0.95 -0.64 119.26 122.14 1xbl h ALA 24 Ca 0.07 0.10 0.08 0.00 0.00 0.00 0.00 54.91 55.15 1xbl h ALA 24 Cb 0.18 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.13 1xbl h ALA 24 CO -0.01 -0.49 0.08 -0.92 0.00 0.00 0.00 179.25 177.92 1xbl h TYR 25 N -0.03 0.13 -0.10 0.00 5.03 -0.68 -0.24 116.97 121.07 1xbl h TYR 25 Ca 0.12 0.03 0.01 0.00 2.58 0.00 0.00 58.73 61.48 1xbl h TYR 25 Cb 0.22 0.01 -0.01 0.00 1.55 0.00 0.00 36.73 38.50 1xbl h TYR 25 CO -0.27 -0.01 0.01 -0.22 -1.32 0.00 0.00 178.16 176.36 1xbl h LYS 26 N 0.21 0.05 -0.32 1.82 1.63 -0.02 0.13 116.57 120.06 1xbl h LYS 26 Ca 0.22 -0.00 0.07 0.00 -0.85 0.00 0.00 60.65 60.09 1xbl h LYS 26 Cb 0.29 -0.01 -0.08 0.00 -0.60 0.00 0.00 32.23 31.83 1xbl h LYS 26 CO -0.30 0.03 -0.37 0.00 -3.45 0.00 0.00 179.45 175.36 1xbl h ARG 27 N 0.05 -0.32 0.31 1.90 2.47 -0.61 -1.26 114.38 116.93 1xbl h ARG 27 Ca 0.05 0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.78 1xbl h ARG 27 Cb 0.05 0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 28.44 1xbl h ARG 27 CO -0.07 -0.21 -0.19 -0.07 0.56 0.00 0.00 179.97 179.99 1xbl h LEU 28 N -0.33 -0.46 -0.50 3.04 3.38 -0.55 0.08 115.31 119.97 1xbl h LEU 28 Ca 0.14 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.22 1xbl h LEU 28 Cb 0.57 0.13 -0.07 0.00 0.09 0.00 0.00 40.66 41.38 1xbl h LEU 28 CO -0.50 -0.30 0.12 0.00 0.09 0.00 0.00 178.44 177.85 1xbl h ALA 29 N 0.19 0.58 -0.71 1.53 0.00 -0.57 0.19 119.26 120.47 1xbl h ALA 29 Ca -0.03 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1xbl h ALA 29 Cb 0.39 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 1xbl h ALA 29 CO 0.04 -0.28 0.40 1.98 0.00 0.00 0.00 179.25 181.39 1xbl h MET 30 N 0.27 0.70 -0.71 0.00 1.85 -0.96 -0.72 114.93 115.37 1xbl h MET 30 Ca 0.25 -0.04 0.12 0.00 -0.61 0.00 0.00 59.70 59.42 1xbl h MET 30 Cb 0.32 -0.16 -0.05 0.00 0.43 0.00 0.00 31.60 32.14 1xbl h MET 30 CO -0.30 0.47 0.47 -0.22 -0.40 0.00 0.00 176.91 176.92 1xbl h LYS 31 N 0.72 0.47 -1.06 0.39 3.64 0.14 0.23 116.57 121.11 1xbl h LYS 31 Ca 0.33 -0.03 -0.59 0.00 -1.27 0.00 0.00 60.65 59.09 1xbl h LYS 31 Cb 0.22 -0.11 -0.40 0.00 -0.41 0.00 0.00 32.23 31.54 1xbl h LYS 31 CO -0.20 0.31 -0.46 2.48 -2.27 0.00 0.00 179.45 179.32 1xbl n TYR 32 N -4.48 3.00 -3.89 1.91 0.18 -0.83 -4.87 117.16 108.18 1xbl n TYR 32 Ca 0.12 -2.57 -0.30 0.00 1.88 0.00 0.00 57.90 57.04 1xbl n TYR 32 Cb 0.42 -0.47 -0.12 0.00 -0.38 0.00 0.00 39.34 38.79 1xbl n TYR 32 CO 0.00 0.00 0.00 -1.58 -2.08 0.00 0.00 176.86 173.20 1xbl s HIS 33 N -3.64 3.42 1.01 -3.48 2.46 0.07 -4.71 115.29 110.42 1xbl s HIS 33 Ca 0.52 -3.21 -0.13 0.00 0.47 0.00 0.00 55.06 52.71 1xbl s HIS 33 Cb 0.42 -2.83 0.12 0.00 -0.13 0.00 0.00 32.58 30.17 1xbl s HIS 33 CO -0.05 -0.66 0.64 -2.30 -2.47 0.00 0.00 174.74 169.90 1xbl n PRO 34 N 2.57 -0.95 0.20 2.88 -0.02 -1.26 -4.94 135.00 133.48 1xbl n PRO 34 Ca 0.13 -0.23 -0.08 0.00 -2.02 0.00 0.00 63.50 61.29 1xbl n PRO 34 Cb 0.34 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.76 1xbl n PRO 34 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 1xbl h ASP 35 N -1.94 -0.45 0.58 2.55 3.04 -1.98 -3.34 116.42 114.88 1xbl h ASP 35 Ca -0.48 0.02 -0.02 0.00 -3.24 0.00 0.00 57.03 53.30 1xbl h ASP 35 Cb 1.30 0.12 -0.01 0.00 -1.04 0.00 0.00 39.33 39.70 1xbl h ASP 35 CO 0.39 -0.23 -0.38 0.08 -2.04 0.00 0.00 179.24 177.06 1xbl h ARG 36 N -0.71 -0.88 -5.40 4.15 0.11 -2.05 -3.47 114.38 106.14 1xbl h ARG 36 Ca -0.05 0.06 -0.29 0.00 0.10 0.00 0.00 59.98 59.80 1xbl h ARG 36 Cb 0.40 0.20 0.01 0.00 1.11 0.00 0.00 29.97 31.69 1xbl h ARG 36 CO 0.09 -0.58 -0.79 -1.71 0.10 0.00 0.00 179.97 177.07 1xbl n ASN 37 N -4.80 -3.47 -3.38 0.08 5.15 -1.25 -4.74 115.26 102.83 1xbl n ASN 37 Ca -0.11 -0.29 -0.40 0.00 -0.60 0.00 0.00 54.58 53.19 1xbl n ASN 37 Cb 0.38 -1.05 -0.02 0.00 -0.53 0.00 0.00 39.78 38.56 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xbl n GLN 38 N -0.69 3.59 -4.08 1.20 0.00 -1.26 -4.35 117.38 111.78 1xbl n GLN 38 Ca -0.11 -2.29 -0.31 0.00 0.00 0.00 0.00 57.00 54.29 1xbl n GLN 38 Cb 0.46 -2.88 -0.04 0.00 0.00 0.00 0.00 30.24 27.78 1xbl n GLN 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1xbl n GLY 39 N 3.62 -0.32 3.73 2.61 0.00 -1.26 -4.84 105.19 108.74 1xbl n GLY 39 Ca 0.74 0.21 -0.35 0.00 0.00 0.00 0.00 46.02 46.62 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 -4.20 4.58 0.07 1.61 -1.08 -1.26 -4.76 116.67 111.63 1xbl s ASP 40 Ca 0.10 2.39 -0.36 0.00 -0.52 0.00 0.00 52.55 54.15 1xbl s ASP 40 Cb -0.05 -2.59 -0.20 0.00 -1.46 0.00 0.00 42.92 38.62 1xbl s ASP 40 CO 0.94 -2.00 1.58 0.11 0.52 0.00 0.00 175.17 176.32 1xbl h LYS 41 N 0.18 -1.16 -0.74 4.34 1.57 -2.00 -1.77 116.57 116.99 1xbl h LYS 41 Ca -0.49 0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1xbl h LYS 41 Cb 1.30 0.26 -0.04 0.00 0.08 0.00 0.00 32.23 33.84 1xbl h LYS 41 CO 0.52 -0.77 0.49 1.05 -0.57 0.00 0.00 179.45 180.16 1xbl h GLU 42 N -1.20 0.98 -0.21 3.15 4.11 -1.99 -0.08 114.58 119.34 1xbl h GLU 42 Ca -0.12 -0.06 0.05 0.00 0.07 0.00 0.00 59.36 59.31 1xbl h GLU 42 Cb 0.94 -0.22 -0.06 0.00 0.50 0.00 0.00 28.75 29.91 1xbl h GLU 42 CO 0.17 0.65 -0.18 0.00 0.07 0.00 0.00 179.01 179.72 1xbl h ALA 43 N 1.27 -0.04 -0.25 1.06 0.00 -1.81 0.28 119.26 119.76 1xbl h ALA 43 Ca 0.27 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.25 1xbl h ALA 43 Cb -0.11 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1xbl h ALA 43 CO -0.06 -0.60 0.14 1.49 0.00 0.00 0.00 179.25 180.22 1xbl h GLU 44 N -0.18 0.35 -0.63 0.00 4.22 -0.41 -0.01 114.58 117.92 1xbl h GLU 44 Ca 0.12 -0.04 -0.05 0.00 0.08 0.00 0.00 59.36 59.47 1xbl h GLU 44 Cb 0.37 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1xbl h GLU 44 CO -0.32 0.30 0.18 0.00 -2.18 0.00 0.00 179.01 176.99 1xbl h ALA 45 N 1.03 1.12 -0.15 2.92 0.00 -0.72 -0.26 119.26 123.19 1xbl h ALA 45 Ca 0.09 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xbl h ALA 45 Cb 0.05 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1xbl h ALA 45 CO -0.02 0.60 0.06 -0.22 0.00 0.00 0.00 179.25 179.68 1xbl h LYS 46 N 0.94 0.22 -0.80 0.00 1.63 -0.12 0.03 116.57 118.47 1xbl h LYS 46 Ca 0.20 -0.04 0.16 0.00 -0.85 0.00 0.00 60.65 60.13 1xbl h LYS 46 Cb 0.30 -0.04 -0.05 0.00 -0.60 0.00 0.00 32.23 31.84 1xbl h LYS 46 CO -0.00 0.30 0.53 0.35 -3.45 0.00 0.00 179.45 177.17 1xbl h PHE 47 N 0.10 0.50 0.01 1.91 3.04 -0.50 -1.73 116.94 120.26 1xbl h PHE 47 Ca 0.05 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.02 1xbl h PHE 47 Cb 0.15 -0.16 0.00 0.00 2.56 0.00 0.00 35.95 38.50 1xbl h PHE 47 CO -0.02 0.18 -0.00 0.87 -2.02 0.00 0.00 178.31 177.32 1xbl h LYS 48 N 0.42 -0.01 -0.18 1.11 1.57 0.80 0.30 116.57 120.58 1xbl h LYS 48 Ca 0.40 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.22 1xbl h LYS 48 Cb 0.93 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.19 1xbl h LYS 48 CO -0.13 0.06 -0.11 0.93 -0.57 0.00 0.00 179.45 179.62 1xbl h GLU 49 N -0.07 -0.10 -0.14 3.15 5.08 -0.84 -0.76 114.58 120.91 1xbl h GLU 49 Ca -0.00 0.01 -0.13 0.00 -1.00 0.00 0.00 59.36 58.24 1xbl h GLU 49 Cb 0.07 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1xbl h GLU 49 CO 0.00 -0.07 -0.48 0.82 -1.00 0.00 0.00 179.01 178.29 1xbl h ILE 50 N -0.10 1.33 -0.07 3.13 2.04 -1.07 0.68 117.51 123.44 1xbl h ILE 50 Ca 0.10 -1.69 0.01 0.00 1.00 0.00 0.00 64.86 64.29 1xbl h ILE 50 Cb 0.26 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1xbl h ILE 50 CO -0.24 0.51 0.00 0.50 0.00 0.00 0.00 178.15 178.92 1xbl h LYS 51 N 0.28 0.03 0.59 2.37 3.64 -0.25 -0.46 116.57 122.77 1xbl h LYS 51 Ca 0.02 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.37 1xbl h LYS 51 Cb 0.94 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.74 1xbl h LYS 51 CO 0.08 0.02 -0.48 1.49 -2.27 0.00 0.00 179.45 178.29 1xbl h GLU 52 N 0.03 -1.00 -0.32 1.90 4.22 0.11 0.22 114.58 119.73 1xbl h GLU 52 Ca 0.03 0.07 0.04 0.00 0.08 0.00 0.00 59.36 59.58 1xbl h GLU 52 Cb 0.04 0.23 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1xbl h GLU 52 CO -0.05 -0.67 -0.55 0.00 -2.18 0.00 0.00 179.01 175.55 1xbl h ALA 53 N -0.88 -0.81 -0.84 2.92 0.00 -0.94 -2.29 119.26 116.43 1xbl h ALA 53 Ca -0.07 -0.02 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1xbl h ALA 53 Cb 0.88 1.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 1xbl h ALA 53 CO 0.00 -1.06 0.55 -0.92 0.00 0.00 0.00 179.25 177.81 1xbl h TYR 54 N -0.46 0.94 -0.69 0.00 3.20 -0.74 -2.93 116.97 116.29 1xbl h TYR 54 Ca 0.06 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 1xbl h TYR 54 Cb 0.63 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.55 1xbl h TYR 54 CO -0.68 0.49 0.41 1.49 -1.64 0.00 0.00 178.16 178.23 1xbl h GLU 55 N 0.92 0.93 -0.42 1.82 4.81 0.04 -0.24 114.58 122.45 1xbl h GLU 55 Ca 0.36 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.48 1xbl h GLU 55 Cb 0.22 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 1xbl h GLU 55 CO -0.13 0.66 0.14 0.28 -0.73 0.00 0.00 179.01 179.24 1xbl h VAL 56 N 0.95 1.21 -0.08 0.32 2.07 -1.51 -2.65 116.25 116.56 1xbl h VAL 56 Ca 0.25 -0.68 -0.11 0.00 0.82 0.00 0.00 66.70 66.98 1xbl h VAL 56 Cb -0.02 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1xbl h VAL 56 CO -0.05 0.24 -0.46 -0.07 0.02 0.00 0.00 177.57 177.26 1xbl h LEU 57 N 0.53 0.20 -0.61 2.57 3.38 -1.15 0.05 115.31 120.28 1xbl h LEU 57 Ca 0.14 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1xbl h LEU 57 Cb 0.23 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1xbl h LEU 57 CO -0.01 0.64 0.00 0.71 0.09 0.00 0.00 178.44 179.87 1xbl h THR 58 N 0.15 0.00 -3.75 0.22 1.35 -1.15 -3.41 112.91 106.32 1xbl h THR 58 Ca 0.01 -0.51 -0.49 0.00 -0.55 0.00 0.00 66.41 64.87 1xbl h THR 58 Cb 0.88 1.43 0.03 0.00 -1.73 0.00 0.00 68.15 68.75 1xbl h THR 58 CO 0.07 0.00 0.17 1.51 -0.25 0.00 0.00 175.52 177.02 1xbl s ASP 59 N -5.07 6.35 -0.02 5.36 1.47 0.01 -5.03 116.67 119.75 1xbl s ASP 59 Ca 0.05 1.09 0.15 0.00 1.18 0.00 0.00 52.55 55.02 1xbl s ASP 59 Cb 0.09 -2.31 -0.21 0.00 -0.34 0.00 0.00 42.92 40.15 1xbl s ASP 59 CO 0.53 -0.57 0.39 -0.24 0.68 0.00 0.00 175.17 175.97 1xbl n SER 60 N -2.01 1.41 -0.02 2.11 2.88 -1.26 -4.27 113.62 112.47 1xbl n SER 60 Ca 0.02 -0.21 -0.00 0.00 -1.33 0.00 0.00 58.87 57.36 1xbl n SER 60 Cb 0.55 1.50 -0.00 0.00 -0.75 0.00 0.00 64.21 65.51 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 0.00 -0.23 -1.46 4.15 -1.96 -0.79 115.11 114.81 1xbl h GLN 61 Ca 0.00 0.00 -0.08 0.00 0.77 0.00 0.00 58.65 59.34 1xbl h GLN 61 Cb 0.59 0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.26 1xbl h GLN 61 CO 0.00 0.00 -0.20 0.87 -1.93 0.00 0.00 178.83 177.57 1xbl h LYS 62 N -0.39 0.42 0.37 1.69 6.56 -1.86 -0.12 116.57 123.23 1xbl h LYS 62 Ca 0.00 -0.14 -0.00 0.00 -1.06 0.00 0.00 60.65 59.45 1xbl h LYS 62 Cb 0.00 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.60 1xbl h LYS 62 CO 0.00 0.60 -0.49 -0.09 -2.06 0.00 0.00 179.45 177.41 1xbl h ARG 63 N 0.38 -0.86 -0.72 3.15 9.65 -1.70 0.79 114.38 125.07 1xbl h ARG 63 Ca 0.06 0.06 -0.04 0.00 -1.10 0.00 0.00 59.98 58.96 1xbl h ARG 63 Cb 0.57 0.20 -0.03 0.00 -1.39 0.00 0.00 29.97 29.31 1xbl h ARG 63 CO 0.04 -0.58 0.29 0.00 2.80 0.00 0.00 179.97 182.52 1xbl h ALA 64 N -0.68 0.93 -0.27 2.80 0.00 -0.84 0.75 119.26 121.96 1xbl h ALA 64 Ca -0.04 -0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.74 1xbl h ALA 64 Cb 0.82 -0.28 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 1xbl h ALA 64 CO -0.13 0.55 -0.09 0.00 0.00 0.00 0.00 179.25 179.58 1xbl h ALA 65 N 1.14 0.14 -0.10 0.00 0.00 -0.83 0.78 119.26 120.38 1xbl h ALA 65 Ca 0.24 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.23 1xbl h ALA 65 Cb 0.21 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.24 1xbl h ALA 65 CO -0.02 -0.49 -0.02 -0.92 0.00 0.00 0.00 179.25 177.80 1xbl h TYR 66 N -0.04 0.21 -0.73 0.00 5.03 -0.46 -1.37 116.97 119.62 1xbl h TYR 66 Ca 0.13 -0.04 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1xbl h TYR 66 Cb 0.24 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.41 1xbl h TYR 66 CO -0.28 0.48 0.41 -0.44 -1.32 0.00 0.00 178.16 177.01 1xbl h ASP 67 N -0.12 0.60 0.42 -2.11 5.19 -0.60 -0.88 116.42 118.92 1xbl h ASP 67 Ca 0.03 0.03 -0.02 0.00 -0.62 0.00 0.00 57.03 56.45 1xbl h ASP 67 Cb 0.41 -0.08 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1xbl h ASP 67 CO 0.01 0.38 -0.20 -0.61 -3.12 0.00 0.00 179.24 175.69 1xbl h GLN 68 N 0.74 -0.54 0.00 3.56 4.15 -0.76 -3.44 115.11 118.82 1xbl h GLN 68 Ca 0.33 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.79 1xbl h GLN 68 Cb 0.24 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.05 1xbl h GLN 68 CO -0.20 -0.36 -0.55 0.98 -1.93 0.00 0.00 178.83 176.77 1xbl n TYR 69 N -3.68 0.00 0.00 3.99 9.36 -0.54 -5.03 117.16 121.26 1xbl n TYR 69 Ca -0.07 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.15 1xbl n TYR 69 Cb 0.22 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1xbl n GLY 70 N 1.68 1.29 2.40 2.98 0.00 -0.36 -4.58 105.19 108.59 1xbl n GLY 70 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 1xbl n GLY 70 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1xbl n HIS 71 N 0.00 -1.31 -0.72 1.61 8.25 -1.26 -3.11 115.22 118.68 1xbl n HIS 71 Ca 0.00 -3.02 0.00 0.00 -0.26 0.00 0.00 57.72 54.44 1xbl n HIS 71 Cb 0.00 0.31 0.00 0.00 1.12 0.00 0.00 29.99 31.42 1xbl n HIS 71 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1xbl n ALA 72 N 2.22 -0.24 0.30 -1.41 0.00 -1.26 -5.04 120.51 115.08 1xbl n ALA 72 Ca 0.23 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.55 1xbl n ALA 72 Cb 0.52 -0.24 -0.06 0.00 0.00 0.00 0.00 19.45 19.67 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 0.00 -0.93 -0.27 0.00 0.00 -1.90 -3.32 119.26 112.84 1xbl h ALA 73 Ca 0.00 -0.17 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1xbl h ALA 73 Cb 0.48 0.30 -0.08 0.00 0.00 0.00 0.00 17.79 18.49 1xbl h ALA 73 CO 0.00 -0.87 0.21 1.97 0.00 0.00 0.00 179.25 180.56 1xbl n PHE 74 N -4.75 0.87 -0.69 0.00 -1.74 -1.26 -4.25 117.46 105.64 1xbl n PHE 74 Ca -0.10 -1.24 0.07 0.00 -0.56 0.00 0.00 57.45 55.62 1xbl n PHE 74 Cb 0.31 -0.62 0.15 0.00 1.52 0.00 0.00 39.48 40.85 1xbl n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.56 0.00 0.00 176.76 174.29 1xbl n GLU 75 N 0.48 2.38 0.00 3.97 4.07 -1.25 -5.25 120.64 125.03 1xbl n GLU 75 Ca 0.17 -2.36 0.00 0.00 -0.06 0.00 0.00 57.16 54.91 1xbl n GLU 75 Cb 0.67 -1.47 0.00 0.00 -0.06 0.00 0.00 31.44 30.58 1xbl n GLU 75 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11