#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 2.97 0.00 3.03 0.00 -1.26 -4.34 105.19 105.58 1yju n GLY 2 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 2.09 0.00 0.00 1.61 8.00 -1.26 -4.86 116.55 122.13 1yju n ASP 3 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1yju n ASP 3 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1yju n ASP 3 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1yju n GLY 4 N 5.00 2.98 3.45 0.44 0.00 -0.98 -4.95 105.19 111.14 1yju n GLY 4 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1yju n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1yju s VAL 5 N -2.53 0.00 -0.24 1.61 0.11 -1.26 -3.63 120.40 114.45 1yju s VAL 5 Ca 0.00 -0.02 -0.04 0.00 -2.93 0.00 0.00 61.98 58.98 1yju s VAL 5 Cb 0.00 -0.78 0.13 0.00 -1.53 0.00 0.00 36.38 34.20 1yju s VAL 5 CO 0.00 -0.01 0.45 -0.22 -3.33 0.00 0.00 175.10 171.99 1yju s LEU 6 N 0.13 -0.82 -0.26 2.54 2.96 0.73 -4.88 118.68 119.08 1yju s LEU 6 Ca -0.01 0.69 -0.15 0.00 -0.22 0.00 0.00 54.13 54.44 1yju s LEU 6 Cb -0.04 1.48 -0.04 0.00 0.50 0.00 0.00 46.19 48.10 1yju s LEU 6 CO 0.01 -0.27 0.36 -0.70 -1.32 0.00 0.00 176.35 174.44 1yju s GLU 7 N 2.65 4.04 0.03 1.98 2.56 -1.26 -0.83 118.70 127.88 1yju s GLU 7 Ca 0.08 0.04 0.03 0.00 0.00 0.00 0.00 54.97 55.12 1yju s GLU 7 Cb -0.14 -3.63 -0.02 0.00 2.00 0.00 0.00 34.13 32.34 1yju s GLU 7 CO -0.16 -0.21 -0.10 -0.48 -0.56 0.00 0.00 175.26 173.74 1yju s LEU 8 N 1.87 2.15 0.20 2.70 -0.00 -0.51 -0.44 118.68 124.64 1yju s LEU 8 Ca 0.15 -0.40 -0.30 0.00 -0.00 0.00 0.00 54.13 53.59 1yju s LEU 8 Cb -0.15 -0.41 -0.08 0.00 -0.00 0.00 0.00 46.19 45.54 1yju s LEU 8 CO 0.09 -0.02 1.08 -0.69 -0.00 0.00 0.00 176.35 176.81 1yju s VAL 9 N -0.82 3.85 -0.40 1.48 1.01 0.11 -0.29 120.40 125.35 1yju s VAL 9 Ca -0.01 1.65 0.03 0.00 0.00 0.00 0.00 61.98 63.65 1yju s VAL 9 Cb -0.07 -4.05 0.11 0.00 0.00 0.00 0.00 36.38 32.37 1yju s VAL 9 CO 0.01 0.31 0.14 -0.69 0.00 0.00 0.00 175.10 174.86 1yju s VAL 10 N -0.44 2.08 -0.08 2.92 1.01 0.64 -0.28 120.40 126.24 1yju s VAL 10 Ca 0.48 -2.53 -0.30 0.00 0.00 0.00 0.00 61.98 59.63 1yju s VAL 10 Cb -0.29 -2.50 -0.02 0.00 0.00 0.00 0.00 36.38 33.57 1yju s VAL 10 CO 0.35 -0.70 1.02 0.00 0.00 0.00 0.00 175.10 175.77 1yju s ARG 11 N 0.58 4.44 0.00 2.72 1.70 0.00 -4.03 118.95 124.36 1yju s ARG 11 Ca 0.13 1.42 0.00 0.00 -0.47 0.00 0.00 55.73 56.82 1yju s ARG 11 Cb -0.21 -3.53 0.00 0.00 -0.57 0.00 0.00 34.95 30.64 1yju s ARG 11 CO -0.07 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.27 1yju n GLY 12 N 3.09 0.54 3.64 3.88 0.00 -1.26 -2.07 105.19 113.01 1yju n GLY 12 Ca 0.09 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.68 1yju n GLY 12 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1yju s MET 13 N 0.00 4.09 0.00 1.61 -1.94 -1.26 -4.86 119.30 116.95 1yju s MET 13 Ca 0.00 1.23 0.00 0.00 -1.71 0.00 0.00 55.69 55.21 1yju s MET 13 Cb 0.00 -3.75 0.00 0.00 2.01 0.00 0.00 34.83 33.09 1yju s MET 13 CO 0.00 -0.87 0.73 -2.37 -0.01 0.00 0.00 175.02 172.49 1yju n THR 14 N 5.78 0.00 -3.63 2.05 5.66 -1.26 -4.94 114.28 117.93 1yju n THR 14 Ca 0.13 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.04 1yju n THR 14 Cb 0.47 0.55 -0.07 0.00 -1.55 0.00 0.00 70.33 69.73 1yju n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yju h ALA 16 N 3.87 2.23 -1.67 0.00 0.00 -1.98 0.13 119.26 121.84 1yju h ALA 16 Ca -0.27 0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yju h ALA 16 Cb 1.18 0.32 0.00 0.00 0.00 0.00 0.00 17.79 19.29 1yju h ALA 16 CO 0.14 -1.01 0.00 -1.13 0.00 0.00 0.00 179.25 177.25 1yju n SER 17 N -5.22 0.00 -0.35 0.00 3.41 -1.26 -0.65 113.62 109.55 1yju n SER 17 Ca 0.38 0.72 0.26 0.00 -0.26 0.00 0.00 58.87 59.97 1yju n SER 17 Cb 1.31 -0.22 0.53 0.00 -0.26 0.00 0.00 64.21 65.57 1yju n SER 17 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yju n VAL 19 N -4.69 0.00 0.28 0.00 0.31 0.41 -3.59 118.33 111.05 1yju n VAL 19 Ca 0.29 0.99 0.14 0.00 -0.01 0.00 0.00 64.34 65.74 1yju n VAL 19 Cb 1.01 -1.82 0.64 0.00 -0.91 0.00 0.00 33.84 32.77 1yju n VAL 19 CO 0.00 0.00 0.00 1.12 -1.32 0.00 0.00 176.83 176.63 1yju h HIS 20 N 0.00 0.00 -0.97 3.52 2.07 0.60 -0.47 115.15 119.89 1yju h HIS 20 Ca 0.00 0.00 0.06 0.00 -2.85 0.00 0.00 60.37 57.58 1yju h HIS 20 Cb 0.00 0.00 -0.06 0.00 2.57 0.00 0.00 27.41 29.92 1yju h HIS 20 CO 0.00 0.00 0.62 -0.22 -3.07 0.00 0.00 177.93 175.26 1yju h LYS 21 N 0.00 1.11 0.62 5.12 1.63 -0.75 0.13 116.57 124.42 1yju h LYS 21 Ca 0.00 -0.07 -0.03 0.00 -0.85 0.00 0.00 60.65 59.70 1yju h LYS 21 Cb 0.19 -0.25 0.01 0.00 -0.60 0.00 0.00 32.23 31.57 1yju h LYS 21 CO 0.00 0.73 -0.30 0.82 -3.45 0.00 0.00 179.45 177.26 1yju h ILE 22 N 1.14 0.00 0.15 2.00 2.04 -1.13 0.12 117.51 121.84 1yju h ILE 22 Ca 0.42 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 66.28 1yju h ILE 22 Cb 0.15 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.18 1yju h ILE 22 CO -0.17 0.00 -0.46 1.05 0.00 0.00 0.00 178.15 178.58 1yju h GLU 23 N -0.85 -0.69 -0.60 2.37 4.11 -1.64 0.12 114.58 117.41 1yju h GLU 23 Ca -0.09 0.05 0.12 0.00 0.07 0.00 0.00 59.36 59.51 1yju h GLU 23 Cb 0.64 0.16 -0.09 0.00 0.50 0.00 0.00 28.75 29.95 1yju h GLU 23 CO 0.14 -0.46 0.08 1.03 0.07 0.00 0.00 179.01 179.87 1yju h SER 24 N -0.71 -0.10 0.67 3.06 0.87 -0.79 0.27 113.55 116.82 1yju h SER 24 Ca 0.01 0.13 -0.03 0.00 -1.23 0.00 0.00 61.79 60.66 1yju h SER 24 Cb 0.72 0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.88 1yju h SER 24 CO -0.24 -0.04 -0.32 -1.28 -0.53 0.00 0.00 176.83 174.42 1yju h SER 25 N 0.20 -0.77 -0.99 6.23 0.87 -0.30 -3.23 113.55 115.56 1yju h SER 25 Ca 0.32 -0.00 0.10 0.00 -1.23 0.00 0.00 61.79 60.98 1yju h SER 25 Cb 0.49 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.57 1yju h SER 25 CO -0.45 -0.48 0.63 -0.07 -0.53 0.00 0.00 176.83 175.94 1yju h LEU 26 N -1.02 0.94 -1.42 2.23 4.07 0.01 0.13 115.31 120.25 1yju h LEU 26 Ca -0.09 0.04 0.28 0.00 0.08 0.00 0.00 57.88 58.19 1yju h LEU 26 Cb 0.72 -0.16 -0.09 0.00 1.08 0.00 0.00 40.66 42.21 1yju h LEU 26 CO 0.15 0.53 0.69 0.74 -1.08 0.00 0.00 178.44 179.48 1yju h THR 27 N 1.02 0.49 0.00 0.22 2.02 -0.98 -0.02 112.91 115.66 1yju h THR 27 Ca 0.47 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.54 1yju h THR 27 Cb 0.41 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 66.94 1yju h THR 27 CO -0.23 0.06 0.00 2.29 0.37 0.00 0.00 175.52 178.01 1yju n LYS 28 N -4.59 0.35 0.17 6.66 -0.00 0.46 -0.98 118.16 120.23 1yju n LYS 28 Ca 0.26 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.69 1yju n LYS 28 Cb 0.94 -1.44 0.11 0.00 -0.00 0.00 0.00 35.03 34.65 1yju n LYS 28 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1yju h HIS 29 N 0.00 0.00 0.00 5.58 3.86 -1.15 -3.48 115.15 119.96 1yju h HIS 29 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1yju h HIS 29 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1yju h HIS 29 CO 0.00 0.00 0.00 0.54 0.86 0.00 0.00 177.93 179.33 1yju n ARG 30 N -2.92 0.00 -0.56 2.45 1.74 -0.15 -4.74 116.66 112.47 1yju n ARG 30 Ca 0.03 0.00 0.08 0.00 -0.77 0.00 0.00 57.85 57.19 1yju n ARG 30 Cb 0.53 -3.71 0.32 0.00 -1.02 0.00 0.00 32.46 28.58 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yju n GLY 31 N -2.00 3.04 3.52 -0.13 0.00 -1.26 -4.94 105.19 103.41 1yju n GLY 31 Ca 0.00 -0.84 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 1yju n GLY 31 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1yju s ILE 32 N -2.04 3.25 -0.19 -0.61 1.01 -1.26 -2.77 121.20 118.58 1yju s ILE 32 Ca 0.46 -0.79 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1yju s ILE 32 Cb 0.32 -2.33 -0.22 0.00 0.01 0.00 0.00 42.46 40.24 1yju s ILE 32 CO 0.19 0.50 0.09 0.18 0.00 0.00 0.00 174.94 175.90 1yju n LEU 33 N 1.96 2.75 -3.60 2.97 7.99 0.90 -4.96 117.00 125.01 1yju n LEU 33 Ca -0.17 0.07 -0.13 0.00 -0.01 0.00 0.00 56.01 55.78 1yju n LEU 33 Cb 0.52 -1.02 -0.05 0.00 -0.11 0.00 0.00 43.42 42.76 1yju n LEU 33 CO 0.27 0.87 0.23 -0.47 -1.51 0.00 0.00 177.39 176.78 1yju s TYR 34 N -2.54 -0.34 -0.10 -1.77 5.04 0.06 -4.98 117.35 112.73 1yju s TYR 34 Ca -0.28 0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 54.58 1yju s TYR 34 Cb 0.08 0.31 0.04 0.00 0.35 0.00 0.00 41.96 42.73 1yju s TYR 34 CO 0.68 -0.65 0.04 0.00 -1.34 0.00 0.00 175.55 174.28 1yju s SER 36 N 2.03 5.14 -0.83 0.00 0.15 0.45 -4.86 113.70 115.79 1yju s SER 36 Ca 0.03 -2.10 -0.17 0.00 0.70 0.00 0.00 55.95 54.42 1yju s SER 36 Cb -0.14 -1.79 0.16 0.00 -1.71 0.00 0.00 66.02 62.55 1yju s SER 36 CO -0.06 -0.50 0.92 0.54 1.20 0.00 0.00 173.24 175.34 1yju s VAL 37 N 1.04 5.08 -0.93 4.45 0.11 -1.26 -0.69 120.40 128.20 1yju s VAL 37 Ca 0.09 -1.82 -0.22 0.00 -2.93 0.00 0.00 61.98 57.10 1yju s VAL 37 Cb -0.22 -4.61 0.08 0.00 -1.53 0.00 0.00 36.38 30.10 1yju s VAL 37 CO -0.05 -1.26 1.27 0.00 -3.33 0.00 0.00 175.10 171.73 1yju s ALA 38 N 1.72 2.99 0.32 1.54 0.00 0.17 -4.88 121.76 123.62 1yju s ALA 38 Ca 0.23 -2.33 0.09 0.00 0.00 0.00 0.00 51.96 49.96 1yju s ALA 38 Cb -0.10 -4.27 0.92 0.00 0.00 0.00 0.00 23.12 19.67 1yju s ALA 38 CO -0.07 -3.29 1.65 1.25 0.00 0.00 0.00 175.76 175.30 1yju h LEU 39 N 11.83 0.23 -1.49 0.00 6.46 -1.93 -0.50 115.31 129.92 1yju h LEU 39 Ca 0.10 0.20 0.17 0.00 -0.12 0.00 0.00 57.88 58.23 1yju h LEU 39 Cb 1.02 0.22 -0.06 0.00 -0.73 0.00 0.00 40.66 41.11 1yju h LEU 39 CO 1.28 -0.17 0.56 0.00 -0.62 0.00 0.00 178.44 179.48 1yju h ALA 40 N 1.84 2.09 -0.18 1.25 0.00 -1.94 0.18 119.26 122.49 1yju h ALA 40 Ca 0.66 0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.58 1yju h ALA 40 Cb 1.44 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1yju h ALA 40 CO -0.65 -0.34 0.00 0.25 0.00 0.00 0.00 179.25 178.51 1yju n THR 41 N -4.51 0.37 -4.05 0.00 -2.24 -0.49 -4.99 114.28 98.36 1yju n THR 41 Ca 0.17 -0.68 -0.40 0.00 -2.27 0.00 0.00 64.05 60.86 1yju n THR 41 Cb 0.59 1.01 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 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 0.85 -3.17 -3.89 3.42 5.03 0.61 -4.83 115.26 113.29 1yju n ASN 42 Ca 0.11 -1.14 -0.12 0.00 0.87 0.00 0.00 54.58 54.30 1yju n ASN 42 Cb 0.42 -1.37 -0.14 0.00 -1.02 0.00 0.00 39.78 37.67 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1yju s LYS 43 N -7.16 0.06 -0.37 3.52 2.36 -0.61 -0.26 119.74 117.28 1yju s LYS 43 Ca 0.40 -0.06 -0.19 0.00 -2.55 0.00 0.00 55.97 53.57 1yju s LYS 43 Cb -0.22 -0.03 0.00 0.00 -1.05 0.00 0.00 37.83 36.53 1yju s LYS 43 CO 0.85 0.01 0.53 0.00 1.55 0.00 0.00 175.35 178.29 1yju s ALA 44 N -0.11 3.45 -0.75 3.13 0.00 0.60 0.45 121.76 128.54 1yju s ALA 44 Ca -0.01 -1.07 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 1yju s ALA 44 Cb -0.01 -3.07 0.03 0.00 0.00 0.00 0.00 23.12 20.08 1yju s ALA 44 CO -0.00 -1.34 1.27 -1.58 0.00 0.00 0.00 175.76 174.11 1yju s HIS 45 N 2.45 2.33 0.01 0.00 2.46 0.13 -1.43 115.29 121.24 1yju s HIS 45 Ca 0.19 -0.14 -0.12 0.00 0.47 0.00 0.00 55.06 55.46 1yju s HIS 45 Cb -0.15 -4.61 -0.05 0.00 -0.13 0.00 0.00 32.58 27.63 1yju s HIS 45 CO 0.14 -2.04 0.36 0.42 -2.47 0.00 0.00 174.74 171.15 1yju s ILE 46 N 5.57 5.13 -0.18 0.89 1.01 -0.01 -0.41 121.20 133.20 1yju s ILE 46 Ca 0.35 0.60 0.00 0.00 0.00 0.00 0.00 60.65 61.60 1yju s ILE 46 Cb -0.08 -3.64 0.04 0.00 0.01 0.00 0.00 42.46 38.79 1yju s ILE 46 CO 0.13 0.49 -0.11 -0.54 0.00 0.00 0.00 174.94 174.91 1yju s LYS 47 N -1.36 2.00 0.20 2.79 1.02 0.57 -0.19 119.74 124.77 1yju s LYS 47 Ca 0.25 -0.70 -0.18 0.00 0.02 0.00 0.00 55.97 55.37 1yju s LYS 47 Cb -0.15 -2.25 0.03 0.00 -0.52 0.00 0.00 37.83 34.94 1yju s LYS 47 CO 0.14 -0.37 0.54 1.52 -0.92 0.00 0.00 175.35 176.26 1yju s TYR 48 N 1.46 -0.13 0.02 3.18 1.13 -1.24 -0.07 117.35 121.71 1yju s TYR 48 Ca 0.01 -0.22 -0.19 0.00 -1.41 0.00 0.00 57.07 55.27 1yju s TYR 48 Cb -0.15 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.07 1yju s TYR 48 CO -0.09 -0.94 0.53 0.34 -2.51 0.00 0.00 175.55 172.89 1yju s ASP 49 N -2.88 6.95 0.08 -0.18 -1.08 -1.12 -2.31 116.67 116.15 1yju s ASP 49 Ca 0.09 1.13 -0.14 0.00 -0.52 0.00 0.00 52.55 53.12 1yju s ASP 49 Cb -0.01 -2.33 -0.19 0.00 -1.46 0.00 0.00 42.92 38.92 1yju s ASP 49 CO -0.02 0.21 1.25 1.55 0.52 0.00 0.00 175.17 178.68 1yju h PRO 50 N 5.06 0.73 0.03 4.34 0.13 -1.99 -3.33 132.00 136.97 1yju h PRO 50 Ca -0.48 -0.67 -0.27 0.00 -0.87 0.00 0.00 66.00 63.71 1yju h PRO 50 Cb 1.21 0.16 -0.03 0.00 0.13 0.00 0.00 31.00 32.47 1yju h PRO 50 CO 0.66 1.27 -1.42 1.05 -0.23 0.00 0.00 178.00 179.33 1yju h GLU 51 N 0.43 0.07 0.47 0.86 4.11 -1.97 0.15 114.58 118.71 1yju h GLU 51 Ca -0.08 -0.12 -0.01 0.00 0.07 0.00 0.00 59.36 59.21 1yju h GLU 51 Cb 1.50 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.78 1yju h GLU 51 CO 0.17 0.85 -0.33 0.97 0.07 0.00 0.00 179.01 180.74 1yju h ILE 52 N 0.02 0.32 0.08 -1.06 -0.00 -1.93 -3.37 117.51 111.56 1yju h ILE 52 Ca -0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 64.86 64.32 1yju h ILE 52 Cb 1.93 0.32 -0.03 0.00 -0.00 0.00 0.00 36.82 39.04 1yju h ILE 52 CO 0.12 0.00 -2.03 0.00 -0.00 0.00 0.00 178.15 176.24 1yju n ILE 53 N -5.46 1.68 -1.13 2.19 3.06 -1.23 -5.04 119.36 113.43 1yju n ILE 53 Ca -0.11 -0.54 0.00 0.00 -2.50 0.00 0.00 62.75 59.60 1yju n ILE 53 Cb 0.36 -1.72 0.00 0.00 0.54 0.00 0.00 39.64 38.81 1yju n ILE 53 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1yju n GLY 54 N 1.93 -3.90 0.38 4.50 0.00 0.51 -4.39 105.19 104.22 1yju n GLY 54 Ca -0.36 -0.52 0.16 0.00 0.00 0.00 0.00 46.02 45.30 1yju n GLY 54 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yju h PRO 55 N 1.17 0.31 -0.88 1.61 0.13 -1.92 0.97 132.00 133.39 1yju h PRO 55 Ca 0.00 -0.02 0.22 0.00 -0.87 0.00 0.00 66.00 65.33 1yju h PRO 55 Cb 0.00 -0.07 -0.13 0.00 0.13 0.00 0.00 31.00 30.93 1yju h PRO 55 CO 0.00 0.21 0.36 0.00 -0.23 0.00 0.00 178.00 178.33 1yju h ARG 56 N 0.32 0.34 0.43 0.86 3.08 -1.96 -0.12 114.38 117.33 1yju h ARG 56 Ca 0.33 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.34 1yju h ARG 56 Cb 0.84 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1yju h ARG 56 CO -0.09 0.23 -0.27 0.22 -1.07 0.00 0.00 179.97 179.00 1yju h ASP 57 N 0.35 -0.67 -0.29 7.04 3.58 -1.00 0.17 116.42 125.61 1yju h ASP 57 Ca 0.55 0.04 0.07 0.00 0.42 0.00 0.00 57.03 58.11 1yju h ASP 57 Cb 1.06 0.20 -0.08 0.00 1.72 0.00 0.00 39.33 42.24 1yju h ASP 57 CO -0.55 -0.42 -0.24 0.40 -2.88 0.00 0.00 179.24 175.55 1yju h ILE 58 N -0.66 0.39 -0.41 2.25 2.04 -1.54 -1.16 117.51 118.41 1yju h ILE 58 Ca -0.05 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.88 1yju h ILE 58 Cb 0.55 0.39 -0.06 0.00 -0.74 0.00 0.00 36.82 36.96 1yju h ILE 58 CO 0.05 0.00 0.05 0.40 0.00 0.00 0.00 178.15 178.65 1yju h ILE 59 N -0.22 0.75 -0.52 -0.67 2.04 -0.61 0.41 117.51 118.70 1yju h ILE 59 Ca 0.15 -0.06 0.10 0.00 1.00 0.00 0.00 64.86 66.06 1yju h ILE 59 Cb 0.46 0.56 -0.09 0.00 -0.74 0.00 0.00 36.82 37.01 1yju h ILE 59 CO -0.42 0.03 -0.02 0.45 0.00 0.00 0.00 178.15 178.20 1yju h HIS 60 N 0.17 -0.06 -0.17 1.37 3.86 -0.04 0.66 115.15 120.94 1yju h HIS 60 Ca 0.20 0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1yju h HIS 60 Cb 0.26 0.11 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 1yju h HIS 60 CO -0.23 -0.14 0.10 1.15 0.86 0.00 0.00 177.93 179.68 1yju h THR 61 N 0.10 1.09 0.23 2.45 2.02 0.13 0.13 112.91 119.06 1yju h THR 61 Ca 0.26 -0.25 0.01 0.00 0.77 0.00 0.00 66.41 67.20 1yju h THR 61 Cb 0.40 0.95 -0.03 0.00 -1.74 0.00 0.00 68.15 67.72 1yju h THR 61 CO -0.45 0.09 -0.39 0.40 0.37 0.00 0.00 175.52 175.54 1yju h ILE 62 N 0.18 0.21 -0.31 3.11 2.04 -0.03 -0.45 117.51 122.27 1yju h ILE 62 Ca 0.06 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.90 1yju h ILE 62 Cb 0.06 0.21 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1yju h ILE 62 CO -0.01 0.00 0.12 1.05 0.00 0.00 0.00 178.15 179.31 1yju h GLU 63 N -0.69 0.47 0.00 2.37 -0.00 -0.83 -2.92 114.58 112.98 1yju h GLU 63 Ca 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 59.36 59.28 1yju h GLU 63 Cb 0.67 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.35 1yju h GLU 63 CO -0.16 0.48 0.00 1.03 -0.00 0.00 0.00 179.01 180.36 1yju h SER 64 N 0.36 0.00 0.00 3.06 0.87 -0.51 -3.19 113.55 114.14 1yju h SER 64 Ca 0.10 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 1yju h SER 64 Cb 0.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.15 1yju h SER 64 CO -0.01 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.47 1yju n LEU 65 N -2.45 0.00 -2.05 2.23 4.77 -0.20 -4.99 117.00 114.32 1yju n LEU 65 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.95 1yju n LEU 65 Cb 0.18 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.32 1yju n LEU 65 CO 0.18 0.00 0.50 0.61 -1.33 0.00 0.00 177.39 177.36 1yju n GLY 66 N 1.61 1.47 3.41 -0.72 0.00 -1.20 -5.12 105.19 104.63 1yju n GLY 66 Ca 0.00 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.05 1.72 -0.10 1.61 0.08 -1.23 -4.86 117.98 115.15 1yju s PHE 67 Ca 0.07 -1.29 0.00 0.00 0.12 0.00 0.00 56.93 55.83 1yju s PHE 67 Cb 0.28 -1.02 0.02 0.00 -0.57 0.00 0.00 43.02 41.74 1yju s PHE 67 CO -0.08 -0.38 -0.08 -2.00 -0.10 0.00 0.00 175.22 172.58 1yju s GLU 68 N -3.78 1.51 0.45 0.44 2.12 -0.88 -4.30 118.70 114.25 1yju s GLU 68 Ca 0.32 -0.26 -0.01 0.00 0.36 0.00 0.00 54.97 55.38 1yju s GLU 68 Cb 0.05 -1.51 -0.01 0.00 0.26 0.00 0.00 34.13 32.91 1yju s GLU 68 CO 0.16 -0.21 0.69 0.00 -0.54 0.00 0.00 175.26 175.36 1yju s ALA 69 N 1.52 3.67 -0.24 6.30 0.00 -1.26 -0.82 121.76 130.93 1yju s ALA 69 Ca 0.01 -0.95 -0.10 0.00 0.00 0.00 0.00 51.96 50.92 1yju s ALA 69 Cb -0.13 -2.22 0.09 0.00 0.00 0.00 0.00 23.12 20.86 1yju s ALA 69 CO -0.06 -0.37 0.54 -1.12 0.00 0.00 0.00 175.76 174.75 1yju s SER 70 N -4.19 -0.71 0.32 0.00 0.01 0.61 -4.93 113.70 104.81 1yju s SER 70 Ca 0.48 1.26 -0.29 0.00 1.31 0.00 0.00 55.95 58.70 1yju s SER 70 Cb -0.10 1.53 -0.11 0.00 0.21 0.00 0.00 66.02 67.55 1yju s SER 70 CO 0.39 -0.22 1.42 -0.76 0.41 0.00 0.00 173.24 174.48 1yju s LEU 71 N 2.26 4.37 0.00 2.44 1.43 -1.26 0.08 118.68 128.01 1yju s LEU 71 Ca -0.06 2.82 0.00 0.00 -1.03 0.00 0.00 54.13 55.86 1yju s LEU 71 Cb -0.10 -3.65 0.00 0.00 0.03 0.00 0.00 46.19 42.47 1yju s LEU 71 CO -0.16 -0.72 0.00 1.33 0.23 0.00 0.00 176.35 177.03 1yju n VAL 72 N 1.21 0.00 -3.95 -1.59 0.24 -0.42 -4.82 118.33 109.00 1yju n VAL 72 Ca 0.03 0.00 -0.41 0.00 -2.04 0.00 0.00 64.34 61.92 1yju n VAL 72 Cb 0.40 -0.62 0.02 0.00 -1.47 0.00 0.00 33.84 32.18 1yju n VAL 72 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1yju n LYS 73 N -1.90 -0.60 -1.30 7.34 4.81 0.42 -4.82 118.16 122.10 1yju n LYS 73 Ca 0.00 0.25 -0.41 0.00 -0.87 0.00 0.00 58.31 57.28 1yju n LYS 73 Cb 0.39 -2.83 -0.03 0.00 0.02 0.00 0.00 35.03 32.57 1yju n LYS 73 CO 0.00 0.00 0.00 0.44 1.17 0.00 0.00 177.40 179.01 1yju n ILE 74 N -4.54 2.47 -0.02 3.15 -5.35 -1.26 -4.94 119.36 108.87 1yju n ILE 74 Ca -0.13 -2.06 0.00 0.00 -0.27 0.00 0.00 62.75 60.29 1yju n ILE 74 Cb 0.58 -2.41 0.00 0.00 -1.74 0.00 0.00 39.64 36.08 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17