#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xbl n LYS 3 N 0.00 -3.56 -3.72 0.00 5.02 -1.26 -4.89 118.16 109.75 1xbl n LYS 3 Ca 0.00 2.74 -0.37 0.00 -2.02 0.00 0.00 58.31 58.66 1xbl n LYS 3 Cb 0.00 -3.36 -0.11 0.00 -0.02 0.00 0.00 35.03 31.54 1xbl n LYS 3 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xbl s GLN 4 N -4.98 2.16 0.75 1.97 1.11 -1.26 -5.08 119.66 114.33 1xbl s GLN 4 Ca 0.00 -1.88 -0.16 0.00 0.01 0.00 0.00 55.36 53.34 1xbl s GLN 4 Cb 0.00 -3.68 -0.02 0.00 -1.01 0.00 0.00 33.01 28.30 1xbl s GLN 4 CO 0.00 -1.11 0.61 -3.47 0.01 0.00 0.00 175.29 171.33 1xbl n ASP 5 N 4.56 -0.95 0.00 5.90 2.03 -1.26 -1.46 116.55 125.37 1xbl n ASP 5 Ca -0.02 0.57 0.00 0.00 0.52 0.00 0.00 54.79 55.86 1xbl n ASP 5 Cb 0.41 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.55 1xbl n ASP 5 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1xbl n TYR 6 N -2.58 0.00 0.09 -0.67 4.01 -1.26 -4.42 117.16 112.33 1xbl n TYR 6 Ca 0.10 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.78 1xbl n TYR 6 Cb 0.50 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 39.59 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 0.24 -0.19 -0.72 0.05 -1.89 -0.36 116.97 114.11 1xbl h TYR 7 Ca 0.00 -0.11 -0.05 0.00 0.05 0.00 0.00 58.73 58.62 1xbl h TYR 7 Cb 0.00 -0.03 -0.01 0.00 1.01 0.00 0.00 36.73 37.70 1xbl h TYR 7 CO 0.00 0.85 -0.07 1.49 -1.05 0.00 0.00 178.16 179.38 1xbl h GLU 8 N 0.11 0.38 -0.12 4.88 4.22 -1.46 0.18 114.58 122.77 1xbl h GLU 8 Ca -0.02 -0.16 0.04 0.00 0.08 0.00 0.00 59.36 59.30 1xbl h GLU 8 Cb 1.30 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 1xbl h GLU 8 CO 0.11 0.66 -0.17 0.82 -2.18 0.00 0.00 179.01 178.26 1xbl h ILE 9 N 0.08 0.56 -0.36 2.32 2.04 -1.70 0.62 117.51 121.07 1xbl h ILE 9 Ca 0.04 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 1xbl h ILE 9 Cb 0.54 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1xbl h ILE 9 CO 0.02 0.00 0.03 -0.07 0.00 0.00 0.00 178.15 178.13 1xbl h LEU 10 N -0.22 0.59 -2.13 1.44 4.07 -1.17 -3.48 115.31 114.42 1xbl h LEU 10 Ca 0.09 -0.29 0.00 0.00 0.08 0.00 0.00 57.88 57.77 1xbl h LEU 10 Cb 0.35 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1xbl h LEU 10 CO -0.25 0.73 0.00 0.61 -1.08 0.00 0.00 178.44 178.45 1xbl n GLY 11 N -0.41 0.82 3.41 0.83 0.00 0.59 -4.75 105.19 105.68 1xbl n GLY 11 Ca -0.02 -0.40 -0.27 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.71 2.31 0.18 1.61 0.11 -0.94 -4.90 120.40 116.05 1xbl s VAL 12 Ca 0.00 -1.99 -0.30 0.00 -2.93 0.00 0.00 61.98 56.75 1xbl s VAL 12 Cb 0.00 -2.09 -0.09 0.00 -1.53 0.00 0.00 36.38 32.67 1xbl s VAL 12 CO 0.00 -0.10 1.36 -0.44 -3.33 0.00 0.00 175.10 172.59 1xbl s SER 13 N -2.59 6.83 0.29 3.54 0.01 -1.26 -4.58 113.70 115.93 1xbl s SER 13 Ca 0.20 2.42 0.00 0.00 1.31 0.00 0.00 55.95 59.87 1xbl s SER 13 Cb -0.08 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1xbl s SER 13 CO 0.09 -0.60 0.00 0.29 0.41 0.00 0.00 173.24 173.43 1xbl n LYS 14 N 3.08 0.00 -2.68 12.44 5.02 -1.26 -3.22 118.16 131.53 1xbl n LYS 14 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.29 1xbl n LYS 14 Cb 0.42 0.00 0.08 0.00 -0.02 0.00 0.00 35.03 35.52 1xbl n LYS 14 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1xbl n THR 15 N 0.00 0.39 -0.84 -0.18 -2.24 -1.26 -4.88 114.28 105.27 1xbl n THR 15 Ca 0.00 -2.10 -0.30 0.00 -2.27 0.00 0.00 64.05 59.37 1xbl n THR 15 Cb 0.00 0.87 0.17 0.00 -2.10 0.00 0.00 70.33 69.27 1xbl n THR 15 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1xbl s ALA 16 N -1.10 1.22 0.99 6.98 0.00 -1.20 -5.04 121.76 123.61 1xbl s ALA 16 Ca 0.24 0.29 -0.12 0.00 0.00 0.00 0.00 51.96 52.37 1xbl s ALA 16 Cb 0.42 -3.34 0.18 0.00 0.00 0.00 0.00 23.12 20.39 1xbl s ALA 16 CO -0.04 -2.76 1.08 -2.00 0.00 0.00 0.00 175.76 172.05 1xbl s GLU 17 N -4.70 0.52 0.57 0.00 2.12 -1.26 -4.77 118.70 111.17 1xbl s GLU 17 Ca 0.66 0.82 0.28 0.00 0.36 0.00 0.00 54.97 57.09 1xbl s GLU 17 Cb -0.21 -1.72 1.49 0.00 0.26 0.00 0.00 34.13 33.95 1xbl s GLU 17 CO 0.59 -2.75 1.96 0.93 -0.54 0.00 0.00 175.26 175.45 1xbl h GLU 18 N -1.92 0.00 0.38 4.30 4.39 -1.96 -1.71 114.58 118.06 1xbl h GLU 18 Ca -0.53 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.16 1xbl h GLU 18 Cb 1.30 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.95 1xbl h GLU 18 CO 0.53 0.00 -0.22 -0.09 -1.16 0.00 0.00 179.01 178.07 1xbl h ARG 19 N 0.00 -0.55 0.00 2.33 9.65 -2.00 0.15 114.38 123.96 1xbl h ARG 19 Ca 0.21 0.04 -0.21 0.00 -1.10 0.00 0.00 59.98 58.92 1xbl h ARG 19 Cb 1.03 0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 29.71 1xbl h ARG 19 CO -0.00 -0.37 -1.03 1.49 2.80 0.00 0.00 179.97 182.86 1xbl h GLU 20 N -0.57 0.00 -0.83 0.20 4.81 -1.75 -3.20 114.58 113.23 1xbl h GLU 20 Ca -0.04 0.00 0.12 0.00 -0.13 0.00 0.00 59.36 59.31 1xbl h GLU 20 Cb 0.47 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 29.76 1xbl h GLU 20 CO 0.05 0.91 0.44 0.82 -0.73 0.00 0.00 179.01 180.49 1xbl h ILE 21 N 0.00 0.80 -0.78 2.32 1.08 -1.16 -0.04 117.51 119.72 1xbl h ILE 21 Ca -0.04 -0.23 0.10 0.00 -0.39 0.00 0.00 64.86 64.30 1xbl h ILE 21 Cb 1.76 0.06 -0.08 0.00 -3.07 0.00 0.00 36.82 35.50 1xbl h ILE 21 CO 0.12 0.12 0.41 -0.09 -0.69 0.00 0.00 178.15 178.02 1xbl h ARG 22 N 0.67 0.66 0.63 2.37 9.65 -0.69 0.12 114.38 127.80 1xbl h ARG 22 Ca 0.43 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 59.24 1xbl h ARG 22 Cb 0.53 -0.15 0.01 0.00 -1.39 0.00 0.00 29.97 28.97 1xbl h ARG 22 CO -0.32 0.43 -0.31 0.87 2.80 0.00 0.00 179.97 183.45 1xbl h LYS 23 N 0.68 -0.83 -0.78 0.20 6.56 -1.13 0.57 116.57 121.84 1xbl h LYS 23 Ca 0.39 0.06 0.11 0.00 -1.06 0.00 0.00 60.65 60.14 1xbl h LYS 23 Cb 0.41 0.19 -0.08 0.00 -0.57 0.00 0.00 32.23 32.18 1xbl h LYS 23 CO -0.28 -0.55 0.41 0.00 -2.06 0.00 0.00 179.45 176.97 1xbl h ALA 24 N -0.48 1.11 0.09 3.86 0.00 -0.45 0.16 119.26 123.55 1xbl h ALA 24 Ca -0.09 0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1xbl h ALA 24 Cb 0.66 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1xbl h ALA 24 CO 0.14 -0.01 -0.19 -0.92 0.00 0.00 0.00 179.25 178.26 1xbl h TYR 25 N 0.66 -0.51 -0.57 0.00 3.20 -0.71 -0.60 116.97 118.45 1xbl h TYR 25 Ca 0.39 0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.24 1xbl h TYR 25 Cb 0.43 0.21 -0.03 0.00 1.54 0.00 0.00 36.73 38.89 1xbl h TYR 25 CO -0.09 -0.28 0.23 1.57 -1.64 0.00 0.00 178.16 177.95 1xbl h LYS 26 N -0.36 0.82 0.86 1.82 2.10 0.30 0.12 116.57 122.24 1xbl h LYS 26 Ca 0.03 -0.12 -0.04 0.00 -2.00 0.00 0.00 60.65 58.52 1xbl h LYS 26 Cb 0.39 -0.15 0.01 0.00 -0.90 0.00 0.00 32.23 31.58 1xbl h LYS 26 CO -0.12 0.67 -0.41 0.00 -2.00 0.00 0.00 179.45 177.59 1xbl h ARG 27 N 0.81 -1.12 -0.53 0.07 3.08 -0.38 -2.82 114.38 113.50 1xbl h ARG 27 Ca 0.19 0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.43 1xbl h ARG 27 Cb 0.16 0.25 -0.03 0.00 0.08 0.00 0.00 29.97 30.43 1xbl h ARG 27 CO -0.02 -0.74 0.36 -0.07 -1.07 0.00 0.00 179.97 178.43 1xbl h LEU 28 N -1.31 0.21 -2.01 3.04 3.38 -0.96 -0.12 115.31 117.54 1xbl h LEU 28 Ca -0.12 0.01 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1xbl h LEU 28 Cb 0.89 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1xbl h LEU 28 CO 0.19 0.12 0.37 0.00 0.09 0.00 0.00 178.44 179.22 1xbl h ALA 29 N 1.74 2.42 -1.01 1.53 0.00 -0.49 0.13 119.26 123.57 1xbl h ALA 29 Ca 0.25 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.39 1xbl h ALA 29 Cb 0.68 0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.42 1xbl h ALA 29 CO -0.05 -0.62 0.65 0.00 0.00 0.00 0.00 179.25 179.23 1xbl h MET 30 N 0.00 0.40 0.00 0.00 -0.00 -0.93 0.36 114.93 114.76 1xbl h MET 30 Ca 0.23 -0.02 -0.00 0.00 -0.00 0.00 0.00 59.70 59.91 1xbl h MET 30 Cb 0.97 -0.09 0.00 0.00 -0.00 0.00 0.00 31.60 32.48 1xbl h MET 30 CO -0.00 0.26 -0.00 0.87 -0.00 0.00 0.00 176.91 178.04 1xbl h LYS 31 N 0.41 -0.00 -0.25 -0.10 1.57 -0.94 -3.38 116.57 113.88 1xbl h LYS 31 Ca 0.56 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.34 1xbl h LYS 31 Cb 1.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.72 1xbl h LYS 31 CO -0.27 -0.00 0.00 2.48 -0.57 0.00 0.00 179.45 181.09 1xbl n TYR 32 N -3.16 0.00 -1.47 -1.35 0.18 -1.04 -4.88 117.16 105.45 1xbl n TYR 32 Ca -0.00 0.00 -0.46 0.00 1.88 0.00 0.00 57.90 59.32 1xbl n TYR 32 Cb 0.00 -0.03 -0.02 0.00 -0.38 0.00 0.00 39.34 38.92 1xbl n TYR 32 CO 0.00 0.00 0.00 1.58 -2.08 0.00 0.00 176.86 176.36 1xbl n HIS 33 N -0.35 0.01 -1.21 -3.48 -0.00 0.13 -4.81 115.22 105.51 1xbl n HIS 33 Ca 0.00 0.81 -0.30 0.00 0.46 0.00 0.00 57.72 58.69 1xbl n HIS 33 Cb 0.06 -2.05 -0.07 0.00 -0.12 0.00 0.00 29.99 27.81 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 0.87 3.15 -2.39 1.57 -0.04 -1.26 -4.69 135.00 132.22 1xbl n PRO 34 Ca 0.14 -1.81 -0.43 0.00 -0.04 0.00 0.00 63.50 61.36 1xbl n PRO 34 Cb 0.30 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.22 1xbl n PRO 34 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1xbl n ASP 35 N 3.25 4.82 -4.26 3.54 -0.08 -1.26 -4.04 116.55 118.52 1xbl n ASP 35 Ca 0.67 -2.99 -0.34 0.00 -1.51 0.00 0.00 54.79 50.62 1xbl n ASP 35 Cb 0.44 -1.59 -0.05 0.00 2.34 0.00 0.00 41.12 42.26 1xbl n ASP 35 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1xbl n ARG 36 N 5.53 -2.12 -3.09 -0.67 0.00 -1.26 -3.86 116.66 111.18 1xbl n ARG 36 Ca 0.43 0.26 -0.23 0.00 -0.00 0.00 0.00 57.85 58.32 1xbl n ARG 36 Cb 0.40 -4.53 0.01 0.00 -0.00 0.00 0.00 32.46 28.35 1xbl n ARG 36 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 1xbl n ASN 37 N -2.74 -3.59 -4.16 2.89 0.23 -1.26 -4.83 115.26 101.80 1xbl n ASN 37 Ca -0.10 -0.40 -0.30 0.00 -0.53 0.00 0.00 54.58 53.25 1xbl n ASN 37 Cb 0.57 -1.12 0.19 0.00 -2.08 0.00 0.00 39.78 37.35 1xbl n ASN 37 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xbl n GLN 38 N -1.06 -1.98 -0.34 -3.83 1.13 -1.25 -4.84 117.38 105.21 1xbl n GLN 38 Ca -0.15 -0.57 0.21 0.00 -1.94 0.00 0.00 57.00 54.56 1xbl n GLN 38 Cb 0.49 -1.73 0.45 0.00 0.11 0.00 0.00 30.24 29.56 1xbl n GLN 38 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1xbl h GLY 39 N -2.30 1.64 -7.12 1.08 0.00 -1.95 -3.36 103.07 91.07 1xbl h GLY 39 Ca -0.51 -0.26 -0.59 0.00 0.00 0.00 0.00 47.33 45.97 1xbl h GLY 39 CO 0.36 -0.23 1.51 1.34 0.00 0.00 0.00 176.54 179.53 1xbl n ASP 40 N -4.79 2.37 0.06 0.19 -0.08 -1.26 -4.84 116.55 108.20 1xbl n ASP 40 Ca 0.27 0.14 -0.00 0.00 -1.51 0.00 0.00 54.79 53.69 1xbl n ASP 40 Cb 0.85 -1.39 -0.06 0.00 2.34 0.00 0.00 41.12 42.85 1xbl n ASP 40 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1xbl h LYS 41 N 14.70 0.00 -0.01 -0.67 1.57 -1.94 -3.30 116.57 126.92 1xbl h LYS 41 Ca -0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 1xbl h LYS 41 Cb 1.29 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 1xbl h LYS 41 CO 1.06 0.40 0.05 1.05 -0.57 0.00 0.00 179.45 181.44 1xbl h GLU 42 N 0.00 0.00 -0.99 3.15 4.11 -1.94 -1.71 114.58 117.20 1xbl h GLU 42 Ca -0.12 0.00 0.34 0.00 0.07 0.00 0.00 59.36 59.65 1xbl h GLU 42 Cb 1.56 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 30.63 1xbl h GLU 42 CO 0.06 0.00 0.25 0.00 0.07 0.00 0.00 179.01 179.39 1xbl n ALA 43 N -2.12 0.74 0.44 1.06 0.00 -1.24 0.50 120.51 119.88 1xbl n ALA 43 Ca -0.03 1.03 -0.18 0.00 0.00 0.00 0.00 53.44 54.27 1xbl n ALA 43 Cb 0.13 -0.88 -0.09 0.00 0.00 0.00 0.00 19.45 18.61 1xbl n ALA 43 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1xbl h GLU 44 N 0.00 -1.08 -0.01 0.00 4.81 -1.57 0.24 114.58 116.96 1xbl h GLU 44 Ca 0.71 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 60.01 1xbl h GLU 44 Cb 1.68 0.25 -0.00 0.00 0.63 0.00 0.00 28.75 31.31 1xbl h GLU 44 CO -0.85 -0.71 0.01 0.00 -0.73 0.00 0.00 179.01 176.73 1xbl h ALA 45 N -1.17 1.81 0.22 2.92 0.00 -0.91 0.32 119.26 122.45 1xbl h ALA 45 Ca -0.11 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1xbl h ALA 45 Cb 0.87 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.66 1xbl h ALA 45 CO 0.19 -0.02 -0.11 -0.22 0.00 0.00 0.00 179.25 179.09 1xbl h LYS 46 N 0.00 -0.28 -0.96 0.00 1.63 0.14 0.95 116.57 118.04 1xbl h LYS 46 Ca 0.01 0.02 0.20 0.00 -0.85 0.00 0.00 60.65 60.03 1xbl h LYS 46 Cb 0.03 0.06 -0.08 0.00 -0.60 0.00 0.00 32.23 31.64 1xbl h LYS 46 CO -0.00 0.07 0.61 0.35 -3.45 0.00 0.00 179.45 177.03 1xbl h PHE 47 N -0.70 0.78 -0.14 1.91 3.57 0.47 -0.88 116.94 121.94 1xbl h PHE 47 Ca -0.03 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.47 1xbl h PHE 47 Cb 0.49 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1xbl h PHE 47 CO 0.04 0.19 -0.01 0.87 -2.23 0.00 0.00 178.31 177.17 1xbl h LYS 48 N 0.57 0.26 -0.44 1.11 1.57 0.05 0.28 116.57 119.96 1xbl h LYS 48 Ca 0.52 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 59.20 1xbl h LYS 48 Cb 1.06 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.33 1xbl h LYS 48 CO -0.27 0.50 0.19 1.05 -0.57 0.00 0.00 179.45 180.36 1xbl h GLU 49 N -0.02 0.65 -0.29 3.15 4.11 0.13 0.30 114.58 122.62 1xbl h GLU 49 Ca 0.04 -0.11 -0.19 0.00 0.07 0.00 0.00 59.36 59.17 1xbl h GLU 49 Cb 0.39 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.53 1xbl h GLU 49 CO 0.01 0.58 -0.55 0.82 0.07 0.00 0.00 179.01 179.93 1xbl h ILE 50 N 0.57 1.27 -0.08 -1.06 2.04 -1.16 -0.75 117.51 118.35 1xbl h ILE 50 Ca 0.15 -1.73 -0.21 0.00 1.00 0.00 0.00 64.86 64.07 1xbl h ILE 50 Cb 0.16 1.64 0.00 0.00 -0.74 0.00 0.00 36.82 37.88 1xbl h ILE 50 CO -0.02 0.57 -0.80 0.50 0.00 0.00 0.00 178.15 178.41 1xbl h LYS 51 N 0.67 0.52 0.22 2.37 1.63 -0.26 0.71 116.57 122.42 1xbl h LYS 51 Ca 0.01 -0.45 0.01 0.00 -0.85 0.00 0.00 60.65 59.37 1xbl h LYS 51 Cb 1.16 0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.87 1xbl h LYS 51 CO 0.12 1.08 -0.29 1.49 -3.45 0.00 0.00 179.45 178.41 1xbl h GLU 52 N 0.34 -0.54 -0.46 1.90 4.57 -0.34 0.33 114.58 120.38 1xbl h GLU 52 Ca -0.05 0.04 0.08 0.00 -1.18 0.00 0.00 59.36 58.25 1xbl h GLU 52 Cb 1.40 0.12 -0.07 0.00 -0.16 0.00 0.00 28.75 30.04 1xbl h GLU 52 CO 0.14 -0.36 0.02 0.00 -1.18 0.00 0.00 179.01 177.63 1xbl h ALA 53 N 0.07 0.44 -0.70 2.92 0.00 -1.02 0.13 119.26 121.10 1xbl h ALA 53 Ca 0.01 0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1xbl h ALA 53 Cb 0.55 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1xbl h ALA 53 CO -0.10 -0.37 0.27 -0.92 0.00 0.00 0.00 179.25 178.13 1xbl h TYR 54 N 0.13 1.07 -0.77 0.00 3.20 -0.46 -2.14 116.97 118.01 1xbl h TYR 54 Ca 0.23 -0.08 0.04 0.00 3.14 0.00 0.00 58.73 62.05 1xbl h TYR 54 Cb 0.33 -0.32 -0.05 0.00 1.54 0.00 0.00 36.73 38.23 1xbl h TYR 54 CO -0.28 0.83 0.48 1.49 -1.64 0.00 0.00 178.16 179.04 1xbl h GLU 55 N 1.00 0.89 0.00 1.82 4.81 0.44 -1.14 114.58 122.40 1xbl h GLU 55 Ca 0.23 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1xbl h GLU 55 Cb 0.22 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1xbl h GLU 55 CO -0.02 0.59 0.00 0.28 -0.73 0.00 0.00 179.01 179.13 1xbl n VAL 56 N -4.64 1.39 -0.05 0.32 0.31 0.37 0.13 118.33 116.16 1xbl n VAL 56 Ca 0.09 0.44 -0.06 0.00 -0.01 0.00 0.00 64.34 64.80 1xbl n VAL 56 Cb 0.11 -1.36 -0.06 0.00 -0.91 0.00 0.00 33.84 31.61 1xbl n VAL 56 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1xbl n LEU 57 N -1.74 1.36 0.09 7.52 4.77 -0.86 -3.63 117.00 124.51 1xbl n LEU 57 Ca 0.01 -0.03 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1xbl n LEU 57 Cb 0.08 -0.06 0.45 0.00 -2.33 0.00 0.00 43.42 41.56 1xbl n LEU 57 CO 0.08 0.44 0.87 0.35 -1.33 0.00 0.00 177.39 177.80 1xbl n THR 58 N -2.56 0.66 -3.65 -5.08 -2.24 -0.49 -4.94 114.28 95.97 1xbl n THR 58 Ca -0.17 0.01 -0.01 0.00 -2.27 0.00 0.00 64.05 61.60 1xbl n THR 58 Cb 0.76 -0.85 0.01 0.00 -2.10 0.00 0.00 70.33 68.15 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 -2.07 -0.84 -0.83 3.42 -0.08 0.12 -5.06 116.55 111.21 1xbl n ASP 59 Ca 0.04 -1.44 0.00 0.00 -1.51 0.00 0.00 54.79 51.88 1xbl n ASP 59 Cb 0.31 1.37 0.00 0.00 2.34 0.00 0.00 41.12 45.14 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 -0.93 -2.78 0.28 1.67 2.88 -1.26 -3.96 113.62 109.52 1xbl n SER 60 Ca -0.01 0.17 0.13 0.00 -1.33 0.00 0.00 58.87 57.82 1xbl n SER 60 Cb 0.28 -1.45 0.68 0.00 -0.75 0.00 0.00 64.21 62.97 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 0.47 0.00 -0.15 -1.46 -0.00 -1.97 -0.69 115.11 111.31 1xbl h GLN 61 Ca 0.00 0.00 0.04 0.00 -0.00 0.00 0.00 58.65 58.69 1xbl h GLN 61 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.47 1xbl h GLN 61 CO 0.00 0.00 0.59 0.87 0.00 0.00 0.00 178.83 180.29 1xbl h LYS 62 N 0.00 0.00 0.07 1.69 1.57 -1.85 0.22 116.57 118.27 1xbl h LYS 62 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1xbl h LYS 62 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 1xbl h LYS 62 CO 0.00 0.00 -0.03 -0.09 -0.57 0.00 0.00 179.45 178.76 1xbl h ARG 63 N 0.00 -0.09 -0.58 3.15 9.65 -1.18 -3.31 114.38 122.02 1xbl h ARG 63 Ca 0.07 0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.12 1xbl h ARG 63 Cb 1.24 0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.82 1xbl h ARG 63 CO -0.00 -0.06 0.44 0.00 2.80 0.00 0.00 179.97 183.14 1xbl h ALA 64 N -1.27 2.50 0.32 2.80 0.00 -1.36 0.33 119.26 122.58 1xbl h ALA 64 Ca -0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1xbl h ALA 64 Cb 0.07 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1xbl h ALA 64 CO 0.02 -0.73 -0.44 0.00 0.00 0.00 0.00 179.25 178.09 1xbl h ALA 65 N 1.67 -0.91 -0.18 0.00 0.00 -0.79 -0.18 119.26 118.86 1xbl h ALA 65 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1xbl h ALA 65 Cb 1.14 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1xbl h ALA 65 CO -0.00 -1.06 0.04 -0.92 0.00 0.00 0.00 179.25 177.30 1xbl h TYR 66 N -0.81 0.30 -0.95 0.00 5.03 -0.55 -1.02 116.97 118.97 1xbl h TYR 66 Ca -0.02 -0.04 0.19 0.00 2.58 0.00 0.00 58.73 61.44 1xbl h TYR 66 Cb 0.76 -0.09 -0.11 0.00 1.55 0.00 0.00 36.73 38.84 1xbl h TYR 66 CO -0.29 0.43 0.53 0.22 -1.32 0.00 0.00 178.16 177.73 1xbl h ASP 67 N 0.09 0.64 0.00 -2.11 3.58 -0.80 0.39 116.42 118.21 1xbl h ASP 67 Ca 0.06 0.11 0.00 0.00 0.42 0.00 0.00 57.03 57.62 1xbl h ASP 67 Cb 0.28 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.34 1xbl h ASP 67 CO 0.00 0.19 0.00 1.67 -2.88 0.00 0.00 179.24 178.23 1xbl n GLN 68 N -4.85 0.00 -0.01 0.28 0.00 -0.09 -4.68 117.38 108.02 1xbl n GLN 68 Ca 0.22 0.22 0.09 0.00 -0.00 0.00 0.00 57.00 57.53 1xbl n GLN 68 Cb 0.58 -0.90 -0.15 0.00 0.00 0.00 0.00 30.24 29.76 1xbl n GLN 68 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 1xbl n TYR 69 N -1.15 0.00 0.00 3.69 4.19 -0.41 -4.98 117.16 118.51 1xbl n TYR 69 Ca 0.00 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.21 1xbl n TYR 69 Cb 0.00 -0.46 0.00 0.00 0.49 0.00 0.00 39.34 39.37 1xbl n TYR 69 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1xbl n GLY 70 N 1.42 1.68 0.02 2.98 0.00 0.14 -4.56 105.19 106.88 1xbl n GLY 70 Ca -0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 46.02 45.87 1xbl n GLY 70 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1xbl h HIS 71 N 0.00 -0.05 0.00 1.61 6.17 -1.85 -3.41 115.15 117.62 1xbl h HIS 71 Ca 0.00 -0.00 -0.19 0.00 0.71 0.00 0.00 60.37 60.89 1xbl h HIS 71 Cb 0.00 0.02 -0.14 0.00 2.52 0.00 0.00 27.41 29.80 1xbl h HIS 71 CO 0.00 -0.03 -0.28 0.00 0.71 0.00 0.00 177.93 178.32 1xbl n ALA 72 N -2.03 1.54 0.00 5.26 0.00 -1.26 -4.93 120.51 119.09 1xbl n ALA 72 Ca -0.01 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.32 1xbl n ALA 72 Cb 0.02 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1xbl n ALA 72 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xbl n ALA 73 N -0.91 0.00 0.00 0.00 0.00 -1.07 -3.87 120.51 114.66 1xbl n ALA 73 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1xbl n ALA 73 Cb 0.84 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.29 1xbl n ALA 73 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1xbl n PHE 74 N -1.37 0.00 0.08 0.00 7.35 -1.26 -4.44 117.46 117.82 1xbl n PHE 74 Ca 0.00 0.00 0.07 0.00 -0.76 0.00 0.00 57.45 56.76 1xbl n PHE 74 Cb 0.00 0.00 0.14 0.00 0.35 0.00 0.00 39.48 39.97 1xbl n PHE 74 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1xbl n GLU 75 N 0.00 2.12 0.00 -4.13 0.00 -1.25 -5.16 120.64 112.21 1xbl n GLU 75 Ca 0.00 -1.86 0.00 0.00 0.00 0.00 0.00 57.16 55.30 1xbl n GLU 75 Cb 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 31.44 30.13 1xbl n GLU 75 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17