#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yju n GLY 2 N 0.00 -0.24 3.53 -5.12 0.00 -1.26 -4.65 105.19 97.46 1yju n GLY 2 Ca 0.00 -0.87 -0.35 0.00 0.00 0.00 0.00 46.02 44.80 1yju n GLY 2 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yju n ASP 3 N -3.10 1.37 -4.69 1.61 9.92 -1.26 -4.97 116.55 115.43 1yju n ASP 3 Ca 0.00 -0.38 -0.31 0.00 -0.53 0.00 0.00 54.79 53.57 1yju n ASP 3 Cb 0.00 -1.31 0.15 0.00 -0.64 0.00 0.00 41.12 39.32 1yju n ASP 3 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1yju s GLY 4 N 10.35 1.68 -0.09 0.44 0.00 -1.24 -5.02 107.32 113.44 1yju s GLY 4 Ca 1.12 0.50 -0.22 0.00 0.00 0.00 0.00 44.72 46.12 1yju s GLY 4 CO 0.34 0.90 0.52 0.54 0.00 0.00 0.00 173.10 175.40 1yju s VAL 5 N -2.71 0.02 -0.18 1.40 0.11 -1.11 -3.36 120.40 114.56 1yju s VAL 5 Ca 0.65 -0.15 0.01 0.00 -2.93 0.00 0.00 61.98 59.56 1yju s VAL 5 Cb -0.21 -0.80 0.04 0.00 -1.53 0.00 0.00 36.38 33.87 1yju s VAL 5 CO 0.58 -0.08 -0.11 -0.22 -3.33 0.00 0.00 175.10 171.94 1yju s LEU 6 N -0.72 2.00 -0.28 2.54 2.96 0.12 -4.87 118.68 120.43 1yju s LEU 6 Ca -0.08 -0.73 0.03 0.00 -0.22 0.00 0.00 54.13 53.13 1yju s LEU 6 Cb -0.03 -1.17 0.07 0.00 0.50 0.00 0.00 46.19 45.56 1yju s LEU 6 CO 0.05 -0.12 -0.06 -1.61 -1.32 0.00 0.00 176.35 173.29 1yju s GLU 7 N 1.46 1.92 0.04 1.98 2.02 -1.26 -0.65 118.70 124.21 1yju s GLU 7 Ca 0.01 -1.42 0.09 0.00 0.02 0.00 0.00 54.97 53.67 1yju s GLU 7 Cb -0.15 -2.90 -0.03 0.00 0.10 0.00 0.00 34.13 31.15 1yju s GLU 7 CO -0.09 -0.68 -0.26 -0.48 0.02 0.00 0.00 175.26 173.78 1yju s LEU 8 N 1.11 2.20 0.19 1.80 0.05 -1.14 -0.67 118.68 122.21 1yju s LEU 8 Ca -0.03 -0.56 -0.30 0.00 0.05 0.00 0.00 54.13 53.29 1yju s LEU 8 Cb -0.20 -1.32 -0.08 0.00 -2.05 0.00 0.00 46.19 42.55 1yju s LEU 8 CO -0.06 0.27 1.07 -0.69 -0.55 0.00 0.00 176.35 176.38 1yju s VAL 9 N -0.79 3.90 -0.12 1.48 1.01 0.12 -0.63 120.40 125.37 1yju s VAL 9 Ca 0.12 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.80 1yju s VAL 9 Cb -0.10 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.22 1yju s VAL 9 CO 0.02 0.32 -0.14 0.54 0.00 0.00 0.00 175.10 175.83 1yju s VAL 10 N -0.44 1.48 0.08 2.92 0.11 0.40 -0.50 120.40 124.44 1yju s VAL 10 Ca 0.47 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.95 1yju s VAL 10 Cb -0.29 -1.38 -0.04 0.00 -1.53 0.00 0.00 36.38 33.15 1yju s VAL 10 CO 0.35 0.44 0.11 -0.13 -3.33 0.00 0.00 175.10 172.54 1yju s ARG 11 N 1.23 3.00 0.00 1.54 0.52 0.23 -4.47 118.95 121.01 1yju s ARG 11 Ca -0.01 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.54 1yju s ARG 11 Cb -0.14 -2.78 0.00 0.00 0.52 0.00 0.00 34.95 32.55 1yju s ARG 11 CO -0.06 0.57 0.00 0.41 0.02 0.00 0.00 175.30 176.24 1yju n GLY 12 N 0.34 1.91 1.27 -3.53 0.00 -1.26 -3.55 105.19 100.37 1yju n GLY 12 Ca -0.08 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 1yju n GLY 12 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1yju n MET 13 N 0.00 0.00 -3.52 1.61 0.00 -1.26 -4.94 117.12 109.00 1yju n MET 13 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 57.70 57.59 1yju n MET 13 Cb 0.00 -0.56 -0.03 0.00 0.00 0.00 0.00 33.22 32.63 1yju n MET 13 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 175.97 175.89 1yju s THR 14 N 1.98 0.03 0.52 1.12 -1.32 -1.26 -5.00 115.64 111.71 1yju s THR 14 Ca 0.44 -0.27 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 1yju s THR 14 Cb -0.56 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.31 1yju s THR 14 CO 0.26 -0.12 0.00 0.00 -2.21 0.00 0.00 174.62 172.56 1yju h ALA 16 N -0.64 2.57 -0.28 0.00 0.00 -2.00 -0.43 119.26 118.47 1yju h ALA 16 Ca -0.10 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1yju h ALA 16 Cb 1.02 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.94 1yju h ALA 16 CO 0.04 -1.14 0.09 0.66 0.00 0.00 0.00 179.25 178.89 1yju h SER 17 N 0.17 0.09 -0.15 0.00 4.64 -2.00 0.12 113.55 116.42 1yju h SER 17 Ca 0.76 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.98 1yju h SER 17 Cb 2.26 0.03 0.00 0.00 -0.31 0.00 0.00 62.40 64.37 1yju h SER 17 CO -0.40 0.08 -0.40 0.00 -0.87 0.00 0.00 176.83 175.24 1yju h VAL 19 N 0.16 0.00 -0.04 0.00 2.07 -1.20 -0.02 116.25 117.23 1yju h VAL 19 Ca -0.01 0.00 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 1yju h VAL 19 Cb 1.02 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.78 1yju h VAL 19 CO 0.09 0.00 -0.49 1.12 0.02 0.00 0.00 177.57 178.31 1yju h HIS 20 N -0.30 0.12 0.27 1.57 2.07 -0.89 -1.51 115.15 116.47 1yju h HIS 20 Ca 0.03 -0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.51 1yju h HIS 20 Cb 0.37 -0.02 -0.03 0.00 2.57 0.00 0.00 27.41 30.30 1yju h HIS 20 CO -0.58 0.57 -0.32 -0.22 -3.07 0.00 0.00 177.93 174.31 1yju h LYS 21 N 0.08 -0.62 0.19 5.12 3.64 -1.27 0.53 116.57 124.25 1yju h LYS 21 Ca 0.00 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1yju h LYS 21 Cb 0.90 0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.82 1yju h LYS 21 CO 0.07 -0.41 -0.44 0.82 -2.27 0.00 0.00 179.45 177.21 1yju h ILE 22 N -0.64 0.00 -0.42 2.00 2.04 -0.72 -0.51 117.51 119.25 1yju h ILE 22 Ca -0.00 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.82 1yju h ILE 22 Cb 0.60 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.67 1yju h ILE 22 CO -0.10 0.00 0.12 1.05 0.00 0.00 0.00 178.15 179.22 1yju h GLU 23 N -0.70 0.67 -0.20 2.37 -0.00 -1.11 0.14 114.58 115.76 1yju h GLU 23 Ca -0.02 -0.15 -0.02 0.00 -0.00 0.00 0.00 59.36 59.17 1yju h GLU 23 Cb 0.67 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.32 1yju h GLU 23 CO -0.19 0.67 0.06 1.03 -0.00 0.00 0.00 179.01 180.58 1yju h SER 24 N 0.55 0.29 -0.77 3.06 0.87 -0.93 0.18 113.55 116.80 1yju h SER 24 Ca 0.13 -0.21 0.06 0.00 -1.23 0.00 0.00 61.79 60.54 1yju h SER 24 Cb 0.29 -0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.12 1yju h SER 24 CO -0.00 0.43 0.46 -1.28 -0.53 0.00 0.00 176.83 175.90 1yju h SER 25 N 0.14 0.70 0.22 6.23 0.87 -0.65 -3.20 113.55 117.87 1yju h SER 25 Ca 0.06 0.02 -0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1yju h SER 25 Cb 0.24 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 62.09 1yju h SER 25 CO -0.00 0.45 -0.11 -0.07 -0.53 0.00 0.00 176.83 176.57 1yju h LEU 26 N 0.84 -0.25 -1.55 2.23 3.38 -0.35 -3.39 115.31 116.21 1yju h LEU 26 Ca 0.34 0.01 0.41 0.00 0.09 0.00 0.00 57.88 58.73 1yju h LEU 26 Cb 0.19 0.07 -0.10 0.00 0.09 0.00 0.00 40.66 40.90 1yju h LEU 26 CO -0.18 -0.02 0.89 0.74 0.09 0.00 0.00 178.44 179.96 1yju h THR 27 N -0.63 0.22 -1.83 0.22 2.02 -0.64 0.23 112.91 112.50 1yju h THR 27 Ca -0.03 -0.04 0.53 0.00 0.77 0.00 0.00 66.41 67.64 1yju h THR 27 Cb 0.23 0.09 -0.07 0.00 -1.74 0.00 0.00 68.15 66.66 1yju h THR 27 CO 0.05 0.02 1.34 0.07 0.37 0.00 0.00 175.52 177.37 1yju h LYS 28 N 0.12 0.00 -0.96 6.66 5.09 -1.75 0.83 116.57 126.56 1yju h LYS 28 Ca 0.76 0.00 0.09 0.00 0.09 0.00 0.00 60.65 61.59 1yju h LYS 28 Cb 2.48 0.00 -0.07 0.00 0.10 0.00 0.00 32.23 34.73 1yju h LYS 28 CO -0.29 0.00 0.60 0.45 -2.09 0.00 0.00 179.45 178.12 1yju h HIS 29 N 0.00 1.09 0.00 0.07 3.86 -0.81 -3.46 115.15 115.90 1yju h HIS 29 Ca 0.87 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 60.11 1yju h HIS 29 Cb 3.54 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 31.65 1yju h HIS 29 CO 0.00 0.49 0.00 0.54 0.86 0.00 0.00 177.93 179.82 1yju n ARG 30 N -4.61 0.00 0.08 2.45 1.74 0.28 -4.81 116.66 111.80 1yju n ARG 30 Ca 0.16 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 57.13 1yju n ARG 30 Cb 0.27 -3.32 -0.13 0.00 -1.02 0.00 0.00 32.46 28.26 1yju n ARG 30 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1yju h GLY 31 N 0.00 0.15 -5.89 -0.13 0.00 -1.82 -3.42 103.07 91.96 1yju h GLY 31 Ca 0.00 -0.39 -0.59 0.00 0.00 0.00 0.00 47.33 46.35 1yju h GLY 31 CO 0.00 0.34 0.55 -0.42 0.00 0.00 0.00 176.54 177.01 1yju s ILE 32 N -2.68 4.74 0.07 2.60 1.09 -1.26 -4.26 121.20 121.49 1yju s ILE 32 Ca -0.01 1.49 0.00 0.00 -1.10 0.00 0.00 60.65 61.03 1yju s ILE 32 Cb 0.09 -4.21 -0.26 0.00 -1.06 0.00 0.00 42.46 37.02 1yju s ILE 32 CO 0.85 -0.24 1.10 -0.07 -0.10 0.00 0.00 174.94 176.48 1yju h LEU 33 N 9.50 0.27 -7.29 2.97 3.38 -0.71 -3.46 115.31 119.98 1yju h LEU 33 Ca -0.23 -0.31 -0.13 0.00 0.09 0.00 0.00 57.88 57.30 1yju h LEU 33 Cb 1.08 -0.09 -0.26 0.00 0.09 0.00 0.00 40.66 41.49 1yju h LEU 33 CO 0.92 1.25 -0.31 -0.47 0.09 0.00 0.00 178.44 179.92 1yju s TYR 34 N -2.66 -0.50 -0.44 1.13 5.04 -1.17 -4.98 117.35 113.77 1yju s TYR 34 Ca -0.04 1.12 0.09 0.00 -2.44 0.00 0.00 57.07 55.81 1yju s TYR 34 Cb 0.08 0.19 0.32 0.00 0.35 0.00 0.00 41.96 42.90 1yju s TYR 34 CO 0.86 -0.27 0.75 0.00 -1.34 0.00 0.00 175.55 175.54 1yju s SER 36 N -2.47 6.33 -1.12 0.00 0.01 0.15 -4.72 113.70 111.89 1yju s SER 36 Ca 0.41 -1.09 -0.21 0.00 1.31 0.00 0.00 55.95 56.37 1yju s SER 36 Cb 0.29 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 64.05 1yju s SER 36 CO -0.09 -1.55 1.59 -0.69 0.41 0.00 0.00 173.24 172.91 1yju s VAL 37 N 4.75 3.96 -1.27 3.43 1.01 -1.26 -0.72 120.40 130.29 1yju s VAL 37 Ca 0.35 -1.18 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 1yju s VAL 37 Cb -0.07 -5.05 0.04 0.00 0.00 0.00 0.00 36.38 31.30 1yju s VAL 37 CO 0.03 -1.90 1.77 0.00 0.00 0.00 0.00 175.10 175.00 1yju s ALA 38 N 5.09 3.01 0.32 5.51 0.00 0.17 -4.79 121.76 131.07 1yju s ALA 38 Ca 0.51 -2.76 0.09 0.00 0.00 0.00 0.00 51.96 49.80 1yju s ALA 38 Cb 0.01 -4.65 0.96 0.00 0.00 0.00 0.00 23.12 19.44 1yju s ALA 38 CO -0.02 -3.69 1.49 -0.11 0.00 0.00 0.00 175.76 173.43 1yju n LEU 39 N 9.59 0.08 -0.19 0.00 0.00 -1.26 -0.44 117.00 124.77 1yju n LEU 39 Ca 0.48 1.60 0.20 0.00 0.00 0.00 0.00 56.01 58.29 1yju n LEU 39 Cb 0.46 -0.66 0.56 0.00 0.00 0.00 0.00 43.42 43.78 1yju n LEU 39 CO 0.75 -1.69 1.22 0.00 0.00 0.00 0.00 177.39 177.67 1yju h ALA 40 N 1.90 2.32 -0.24 1.96 0.00 -1.93 0.12 119.26 123.39 1yju h ALA 40 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.59 1yju h ALA 40 Cb 1.59 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.37 1yju h ALA 40 CO -0.82 -0.58 0.00 0.25 0.00 0.00 0.00 179.25 178.10 1yju n THR 41 N -4.45 0.83 -4.26 0.00 -2.24 0.41 -4.99 114.28 99.57 1yju n THR 41 Ca 0.17 -0.91 -0.33 0.00 -2.27 0.00 0.00 64.05 60.71 1yju n THR 41 Cb 0.70 0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 69.49 1yju n THR 41 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1yju n ASN 42 N 0.37 -0.77 -4.05 3.42 4.13 0.40 -4.88 115.26 113.89 1yju n ASN 42 Ca 0.09 -1.16 -0.16 0.00 1.68 0.00 0.00 54.58 55.03 1yju n ASN 42 Cb 0.37 -2.16 -0.13 0.00 -1.54 0.00 0.00 39.78 36.31 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1yju s LYS 43 N -7.08 0.62 -0.48 3.52 2.36 -0.82 -0.46 119.74 117.40 1yju s LYS 43 Ca 0.33 -0.53 -0.17 0.00 -2.55 0.00 0.00 55.97 53.05 1yju s LYS 43 Cb -0.18 -0.53 0.07 0.00 -1.05 0.00 0.00 37.83 36.13 1yju s LYS 43 CO 0.97 0.13 0.48 0.00 1.55 0.00 0.00 175.35 178.47 1yju s ALA 44 N -0.73 3.49 -0.69 3.13 0.00 0.20 0.44 121.76 127.60 1yju s ALA 44 Ca -0.02 -1.96 -0.25 0.00 0.00 0.00 0.00 51.96 49.73 1yju s ALA 44 Cb -0.06 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.94 1yju s ALA 44 CO 0.00 -1.82 1.12 -1.58 0.00 0.00 0.00 175.76 173.48 1yju s HIS 45 N 2.00 2.49 -0.34 0.00 2.46 0.10 -2.90 115.29 119.11 1yju s HIS 45 Ca 0.08 -0.26 -0.04 0.00 0.47 0.00 0.00 55.06 55.31 1yju s HIS 45 Cb -0.22 -4.45 0.06 0.00 -0.13 0.00 0.00 32.58 27.83 1yju s HIS 45 CO 0.09 -1.84 0.08 0.42 -2.47 0.00 0.00 174.74 171.02 1yju s ILE 46 N 4.88 3.40 -0.35 0.89 1.01 0.17 -0.67 121.20 130.54 1yju s ILE 46 Ca 0.29 -1.38 -0.29 0.00 0.00 0.00 0.00 60.65 59.27 1yju s ILE 46 Cb -0.12 -3.00 0.02 0.00 0.01 0.00 0.00 42.46 39.36 1yju s ILE 46 CO 0.13 -0.23 1.10 -0.54 0.00 0.00 0.00 174.94 175.40 1yju s LYS 47 N 1.30 4.00 0.11 2.79 -0.14 0.26 0.15 119.74 128.21 1yju s LYS 47 Ca -0.02 1.00 -0.06 0.00 -1.36 0.00 0.00 55.97 55.53 1yju s LYS 47 Cb -0.20 -3.78 -0.02 0.00 -1.68 0.00 0.00 37.83 32.15 1yju s LYS 47 CO 0.00 -1.00 0.15 1.52 -0.76 0.00 0.00 175.35 175.26 1yju s TYR 48 N 3.84 0.43 -0.02 3.18 1.13 -1.21 -0.03 117.35 124.67 1yju s TYR 48 Ca 0.47 -0.85 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 1yju s TYR 48 Cb -0.12 -0.20 -0.01 0.00 -1.10 0.00 0.00 41.96 40.53 1yju s TYR 48 CO 0.19 -0.56 -0.21 -0.51 -2.51 0.00 0.00 175.55 171.95 1yju s ASP 49 N -2.94 2.44 -1.07 -0.18 1.11 -1.26 -2.76 116.67 112.01 1yju s ASP 49 Ca 0.13 -0.38 -0.18 0.00 0.18 0.00 0.00 52.55 52.30 1yju s ASP 49 Cb 0.05 -0.32 -0.07 0.00 1.07 0.00 0.00 42.92 43.65 1yju s ASP 49 CO -0.05 0.25 2.09 -0.81 1.18 0.00 0.00 175.17 177.83 1yju n PRO 50 N 2.63 2.13 0.00 8.23 -0.04 -1.26 -2.73 135.00 143.96 1yju n PRO 50 Ca -0.16 -2.12 0.00 0.00 -0.04 0.00 0.00 63.50 61.18 1yju n PRO 50 Cb 0.53 -3.03 0.00 0.00 -0.04 0.00 0.00 33.50 30.96 1yju n PRO 50 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yju n GLU 51 N 6.37 0.00 0.11 0.54 0.28 -1.26 -4.92 120.64 121.77 1yju n GLU 51 Ca 0.51 0.00 0.01 0.00 -0.16 0.00 0.00 57.16 57.52 1yju n GLU 51 Cb 0.38 0.00 -0.01 0.00 1.43 0.00 0.00 31.44 33.24 1yju n GLU 51 CO 0.00 0.00 0.00 -0.84 -0.16 0.00 0.00 177.13 176.13 1yju h ILE 52 N 0.00 0.88 -2.83 3.84 3.07 -1.86 -3.46 117.51 117.15 1yju h ILE 52 Ca 0.00 -2.29 -0.04 0.00 1.55 0.00 0.00 64.86 64.08 1yju h ILE 52 Cb 0.00 2.40 -0.14 0.00 -0.27 0.00 0.00 36.82 38.81 1yju h ILE 52 CO 0.00 0.50 0.13 -0.51 -1.05 0.00 0.00 178.15 177.22 1yju s ILE 53 N -2.93 0.02 0.45 0.16 2.07 -1.23 -4.55 121.20 115.18 1yju s ILE 53 Ca 0.03 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 59.14 1yju s ILE 53 Cb 0.08 -1.01 -0.00 0.00 0.13 0.00 0.00 42.46 41.65 1yju s ILE 53 CO 0.76 -0.07 0.67 -0.83 -1.91 0.00 0.00 174.94 173.56 1yju s GLY 54 N -2.32 1.57 0.03 1.50 0.00 -1.26 -4.09 107.32 102.75 1yju s GLY 54 Ca -0.02 -1.07 -0.22 0.00 0.00 0.00 0.00 44.72 43.41 1yju s GLY 54 CO -0.06 -0.90 1.36 -0.56 0.00 0.00 0.00 173.10 172.94 1yju h PRO 55 N 0.41 0.25 -0.36 2.90 0.13 -1.99 -3.23 132.00 130.11 1yju h PRO 55 Ca -0.46 -0.12 -0.02 0.00 -0.87 0.00 0.00 66.00 64.53 1yju h PRO 55 Cb 1.25 -0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 1yju h PRO 55 CO 0.57 0.62 0.14 -0.09 -0.23 0.00 0.00 178.00 179.00 1yju h ARG 56 N -0.12 0.51 -0.14 0.86 2.43 -1.98 -0.48 114.38 115.46 1yju h ARG 56 Ca 0.02 -0.07 0.04 0.00 -0.81 0.00 0.00 59.98 59.17 1yju h ARG 56 Cb 0.55 -0.10 -0.07 0.00 -0.42 0.00 0.00 29.97 29.94 1yju h ARG 56 CO 0.02 0.44 -0.43 -0.44 -1.51 0.00 0.00 179.97 178.05 1yju h ASP 57 N 0.51 -1.35 0.17 -3.80 5.19 -1.98 0.15 116.42 115.33 1yju h ASP 57 Ca 0.13 0.18 -0.01 0.00 -0.62 0.00 0.00 57.03 56.71 1yju h ASP 57 Cb 0.12 0.55 0.00 0.00 0.18 0.00 0.00 39.33 40.18 1yju h ASP 57 CO -0.01 -0.43 -0.08 0.40 -3.12 0.00 0.00 179.24 176.00 1yju h ILE 58 N -0.50 0.84 0.05 0.35 2.04 -1.35 -0.65 117.51 118.29 1yju h ILE 58 Ca 0.07 -0.05 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1yju h ILE 58 Cb 0.63 0.88 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1yju h ILE 58 CO -0.40 0.01 -0.39 0.40 0.00 0.00 0.00 178.15 177.77 1yju h ILE 59 N -0.26 0.20 -0.59 -0.67 2.04 -0.76 0.14 117.51 117.61 1yju h ILE 59 Ca -0.02 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.96 1yju h ILE 59 Cb 0.20 0.20 -0.10 0.00 -0.74 0.00 0.00 36.82 36.37 1yju h ILE 59 CO 0.04 0.00 -0.05 0.45 0.00 0.00 0.00 178.15 178.59 1yju h HIS 60 N -0.58 -0.12 0.23 1.37 3.86 -0.65 0.37 115.15 119.62 1yju h HIS 60 Ca 0.04 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.29 1yju h HIS 60 Cb 0.64 0.15 0.00 0.00 1.06 0.00 0.00 27.41 29.26 1yju h HIS 60 CO -0.38 -0.19 -0.11 1.15 0.86 0.00 0.00 177.93 179.27 1yju h THR 61 N 0.08 0.78 0.20 2.45 2.02 0.35 0.14 112.91 118.94 1yju h THR 61 Ca 0.30 -0.01 0.01 0.00 0.77 0.00 0.00 66.41 67.48 1yju h THR 61 Cb 0.47 0.79 -0.04 0.00 -1.74 0.00 0.00 68.15 67.63 1yju h THR 61 CO -0.53 0.00 -0.41 0.40 0.37 0.00 0.00 175.52 175.35 1yju h ILE 62 N -0.31 0.18 0.14 3.11 2.04 -0.24 0.67 117.51 123.10 1yju h ILE 62 Ca -0.03 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.83 1yju h ILE 62 Cb 0.24 0.18 -0.01 0.00 -0.74 0.00 0.00 36.82 36.48 1yju h ILE 62 CO 0.05 0.00 -0.12 -0.33 0.00 0.00 0.00 178.15 177.75 1yju h GLU 63 N -0.70 -0.27 -0.95 2.37 5.08 -0.83 -2.16 114.58 117.11 1yju h GLU 63 Ca 0.01 0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.57 1yju h GLU 63 Cb 0.69 0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.90 1yju h GLU 63 CO -0.19 -0.18 0.55 1.03 -1.00 0.00 0.00 179.01 179.22 1yju h SER 64 N -0.28 0.68 -0.15 1.42 0.87 -0.54 0.18 113.55 115.73 1yju h SER 64 Ca -0.00 0.10 0.01 0.00 -1.23 0.00 0.00 61.79 60.66 1yju h SER 64 Cb 0.26 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 1yju h SER 64 CO -0.02 0.24 0.08 -0.07 -0.53 0.00 0.00 176.83 176.53 1yju h LEU 65 N 0.70 0.14 0.00 2.23 3.38 -0.20 -3.44 115.31 118.11 1yju h LEU 65 Ca 0.55 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.52 1yju h LEU 65 Cb 0.85 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1yju h LEU 65 CO -0.39 0.10 0.00 0.61 0.09 0.00 0.00 178.44 178.85 1yju n GLY 66 N -1.14 0.94 3.29 0.83 0.00 -0.74 -5.12 105.19 103.26 1yju n GLY 66 Ca -0.04 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1yju n GLY 66 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1yju s PHE 67 N 0.00 1.62 -0.03 1.61 0.08 0.57 -4.80 117.98 117.04 1yju s PHE 67 Ca 0.00 -1.54 0.07 0.00 0.12 0.00 0.00 56.93 55.58 1yju s PHE 67 Cb 0.00 -0.74 -0.02 0.00 -0.57 0.00 0.00 43.02 41.69 1yju s PHE 67 CO 0.00 -0.73 -0.24 -2.00 -0.10 0.00 0.00 175.22 172.15 1yju s GLU 68 N -3.66 2.02 0.28 0.44 2.12 -1.23 -4.34 118.70 114.33 1yju s GLU 68 Ca 0.38 -0.85 0.11 0.00 0.36 0.00 0.00 54.97 54.97 1yju s GLU 68 Cb 0.04 -1.90 -0.05 0.00 0.26 0.00 0.00 34.13 32.47 1yju s GLU 68 CO 0.22 0.48 -0.17 0.00 -0.54 0.00 0.00 175.26 175.25 1yju s ALA 69 N -0.48 2.66 -0.27 6.30 0.00 -1.26 -0.60 121.76 128.12 1yju s ALA 69 Ca 0.07 -1.88 -0.06 0.00 0.00 0.00 0.00 51.96 50.08 1yju s ALA 69 Cb -0.10 -0.18 0.14 0.00 0.00 0.00 0.00 23.12 22.97 1yju s ALA 69 CO -0.00 0.20 0.55 -1.12 0.00 0.00 0.00 175.76 175.39 1yju s SER 70 N -3.50 -0.82 0.31 0.00 0.01 0.34 -4.98 113.70 105.06 1yju s SER 70 Ca 0.29 1.09 -0.27 0.00 1.31 0.00 0.00 55.95 58.37 1yju s SER 70 Cb -0.03 1.90 -0.14 0.00 0.21 0.00 0.00 66.02 67.96 1yju s SER 70 CO 0.14 -0.24 0.98 0.18 0.41 0.00 0.00 173.24 174.70 1yju n LEU 71 N 5.42 1.76 -2.59 2.44 4.77 -1.26 0.14 117.00 127.68 1yju n LEU 71 Ca -0.07 1.15 -0.08 0.00 -0.03 0.00 0.00 56.01 56.97 1yju n LEU 71 Cb 0.50 -1.28 0.04 0.00 -2.33 0.00 0.00 43.42 40.34 1yju n LEU 71 CO -0.00 -1.51 0.04 1.33 -1.33 0.00 0.00 177.39 175.92 1yju n VAL 72 N 0.06 1.64 0.07 4.08 0.24 0.15 -4.76 118.33 119.82 1yju n VAL 72 Ca 0.10 -3.34 0.00 0.00 -2.04 0.00 0.00 64.34 59.05 1yju n VAL 72 Cb 0.33 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 1yju n VAL 72 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1yju n LYS 73 N -0.60 0.00 -1.93 7.34 4.76 -1.26 -4.97 118.16 121.50 1yju n LYS 73 Ca 0.18 0.00 -0.41 0.00 -2.87 0.00 0.00 58.31 55.22 1yju n LYS 73 Cb 0.85 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 34.03 1yju n LYS 73 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1yju n ILE 74 N -2.71 4.68 -0.46 -0.18 -0.00 -1.26 -5.11 119.36 114.32 1yju n ILE 74 Ca 0.00 -3.89 0.00 0.00 -0.00 0.00 0.00 62.75 58.86 1yju n ILE 74 Cb 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 39.64 37.34 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93