#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 -1.34 2.57 -5.12 0.00 -1.26 -4.55 105.19 95.49 1yju n GLY 2 Ca 0.00 -1.59 -0.38 0.00 0.00 0.00 0.00 46.02 44.05 1yju n GLY 2 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1yju n ASP 3 N -2.02 6.02 -4.57 1.61 5.75 -1.26 -4.40 116.55 117.67 1yju n ASP 3 Ca 0.00 -2.63 -0.53 0.00 -0.01 0.00 0.00 54.79 51.63 1yju n ASP 3 Cb 0.00 -1.47 -0.06 0.00 -1.03 0.00 0.00 41.12 38.56 1yju n ASP 3 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1yju n GLY 4 N 3.87 0.27 3.58 6.12 0.00 -1.23 -4.69 105.19 113.11 1yju n GLY 4 Ca 0.62 0.68 -0.35 0.00 0.00 0.00 0.00 46.02 46.97 1yju n GLY 4 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1yju s VAL 5 N 0.30 4.72 -0.34 1.61 -7.23 -1.26 -0.13 120.40 118.06 1yju s VAL 5 Ca 0.84 -0.05 -0.01 0.00 -1.81 0.00 0.00 61.98 60.95 1yju s VAL 5 Cb -0.99 -3.16 0.12 0.00 0.56 0.00 0.00 36.38 32.91 1yju s VAL 5 CO 0.49 0.41 0.16 -0.22 -0.31 0.00 0.00 175.10 175.63 1yju s LEU 6 N 0.84 1.47 -0.15 1.32 1.98 0.20 -4.97 118.68 119.37 1yju s LEU 6 Ca 0.04 -1.86 -0.29 0.00 -2.89 0.00 0.00 54.13 49.13 1yju s LEU 6 Cb -0.13 -0.61 -0.01 0.00 0.66 0.00 0.00 46.19 46.09 1yju s LEU 6 CO 0.02 -0.37 1.09 -0.70 -1.89 0.00 0.00 176.35 174.51 1yju s GLU 7 N 1.39 4.32 0.06 1.98 2.56 -1.26 -3.16 118.70 124.59 1yju s GLU 7 Ca 0.13 1.47 0.08 0.00 0.00 0.00 0.00 54.97 56.66 1yju s GLU 7 Cb -0.20 -3.61 -0.03 0.00 2.00 0.00 0.00 34.13 32.29 1yju s GLU 7 CO -0.17 -0.51 -0.24 -0.48 -0.56 0.00 0.00 175.26 173.31 1yju s LEU 8 N 2.70 2.19 0.30 2.70 0.05 -1.00 -0.60 118.68 125.02 1yju s LEU 8 Ca 0.49 -0.58 -0.28 0.00 0.05 0.00 0.00 54.13 53.81 1yju s LEU 8 Cb -0.19 -1.11 -0.09 0.00 -2.05 0.00 0.00 46.19 42.75 1yju s LEU 8 CO 0.14 0.19 0.99 0.54 -0.55 0.00 0.00 176.35 177.67 1yju s VAL 9 N -0.85 3.93 -0.33 1.48 0.11 0.61 -0.75 120.40 124.61 1yju s VAL 9 Ca 0.10 1.75 -0.02 0.00 -2.93 0.00 0.00 61.98 60.88 1yju s VAL 9 Cb -0.09 -4.03 0.12 0.00 -1.53 0.00 0.00 36.38 30.84 1yju s VAL 9 CO 0.02 0.27 0.16 0.54 -3.33 0.00 0.00 175.10 172.76 1yju s VAL 10 N -1.40 0.25 -0.01 2.04 0.11 0.42 -1.07 120.40 120.74 1yju s VAL 10 Ca 0.48 -1.34 -0.07 0.00 -2.93 0.00 0.00 61.98 58.12 1yju s VAL 10 Cb -0.24 -1.20 -0.05 0.00 -1.53 0.00 0.00 36.38 33.36 1yju s VAL 10 CO 0.30 -0.83 0.26 0.00 -3.33 0.00 0.00 175.10 171.51 1yju s ARG 11 N 1.52 3.59 0.00 1.54 1.70 0.70 -4.48 118.95 123.53 1yju s ARG 11 Ca 0.13 -0.04 0.00 0.00 -0.47 0.00 0.00 55.73 55.35 1yju s ARG 11 Cb -0.19 -3.11 0.00 0.00 -0.57 0.00 0.00 34.95 31.08 1yju s ARG 11 CO -0.19 0.67 0.00 0.41 -1.08 0.00 0.00 175.30 175.12 1yju n GLY 12 N 1.31 2.38 3.74 3.88 0.00 -1.26 -0.91 105.19 114.33 1yju n GLY 12 Ca -0.13 -0.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.86 1yju n GLY 12 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1yju s MET 13 N 0.00 2.45 -0.04 1.61 0.23 -1.26 -5.04 119.30 117.25 1yju s MET 13 Ca 0.00 1.70 -0.21 0.00 -1.03 0.00 0.00 55.69 56.15 1yju s MET 13 Cb 0.00 -1.88 0.04 0.00 -1.53 0.00 0.00 34.83 31.46 1yju s MET 13 CO 0.00 -1.59 0.45 -0.08 -2.03 0.00 0.00 175.02 171.78 1yju s THR 14 N -1.97 0.03 0.29 3.16 -1.32 -1.26 -4.98 115.64 109.59 1yju s THR 14 Ca 0.73 -0.28 0.00 0.00 -1.21 0.00 0.00 61.69 60.94 1yju s THR 14 Cb -0.28 -0.76 0.00 0.00 -1.51 0.00 0.00 72.50 69.96 1yju s THR 14 CO 0.42 -0.15 0.00 0.00 -2.21 0.00 0.00 174.62 172.68 1yju h ALA 16 N -0.03 2.73 0.21 0.00 0.00 -2.01 -0.37 119.26 119.79 1yju h ALA 16 Ca -0.01 0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1yju h ALA 16 Cb 0.51 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1yju h ALA 16 CO 0.01 -1.31 -0.23 0.66 0.00 0.00 0.00 179.25 178.38 1yju h SER 17 N 0.13 -0.65 -0.43 0.00 4.64 -1.98 0.90 113.55 116.16 1yju h SER 17 Ca 0.77 0.05 -0.14 0.00 -0.47 0.00 0.00 61.79 62.01 1yju h SER 17 Cb 2.44 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 64.74 1yju h SER 17 CO -0.35 -0.30 -0.28 0.00 -0.87 0.00 0.00 176.83 175.03 1yju h VAL 19 N 0.77 0.00 0.00 0.00 2.07 -1.40 -1.59 116.25 116.10 1yju h VAL 19 Ca 0.09 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 1yju h VAL 19 Cb 0.86 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.63 1yju h VAL 19 CO 0.08 0.00 -0.00 1.12 0.02 0.00 0.00 177.57 178.78 1yju h HIS 20 N -0.03 0.00 -0.46 1.57 2.07 -0.57 -3.06 115.15 114.67 1yju h HIS 20 Ca 0.02 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.46 1yju h HIS 20 Cb 0.08 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.05 1yju h HIS 20 CO -0.79 0.00 -0.03 -0.22 -3.07 0.00 0.00 177.93 173.83 1yju h LYS 21 N 0.00 0.84 0.13 5.12 3.64 0.10 0.29 116.57 126.68 1yju h LYS 21 Ca -0.00 -0.28 -0.00 0.00 -1.27 0.00 0.00 60.65 59.10 1yju h LYS 21 Cb 0.48 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1yju h LYS 21 CO 0.00 0.90 -0.18 0.82 -2.27 0.00 0.00 179.45 178.72 1yju h ILE 22 N 0.69 0.00 0.16 2.00 2.04 -1.31 0.17 117.51 121.25 1yju h ILE 22 Ca 0.13 0.00 0.02 0.00 1.00 0.00 0.00 64.86 66.00 1yju h ILE 22 Cb 0.54 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.59 1yju h ILE 22 CO 0.03 0.00 -0.35 1.05 0.00 0.00 0.00 178.15 178.88 1yju h GLU 23 N -0.32 -0.58 -0.88 2.37 4.11 -1.63 0.72 114.58 118.36 1yju h GLU 23 Ca -0.01 0.04 0.16 0.00 0.07 0.00 0.00 59.36 59.62 1yju h GLU 23 Cb 0.29 0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.60 1yju h GLU 23 CO -0.05 -0.39 0.57 1.03 0.07 0.00 0.00 179.01 180.25 1yju h SER 24 N -0.60 0.57 0.40 3.06 0.87 -0.44 0.56 113.55 117.97 1yju h SER 24 Ca 0.02 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1yju h SER 24 Cb 0.61 -0.07 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 1yju h SER 24 CO -0.18 0.27 -0.19 -1.28 -0.53 0.00 0.00 176.83 174.92 1yju h SER 25 N 0.60 -0.45 -0.61 6.23 0.87 -0.00 -3.34 113.55 116.85 1yju h SER 25 Ca 0.45 0.02 0.11 0.00 -1.23 0.00 0.00 61.79 61.14 1yju h SER 25 Cb 0.85 0.12 -0.08 0.00 -0.44 0.00 0.00 62.40 62.85 1yju h SER 25 CO -0.20 -0.12 0.17 -0.07 -0.53 0.00 0.00 176.83 176.08 1yju h LEU 26 N -0.94 0.09 -1.66 2.23 4.07 -0.28 -0.02 115.31 118.81 1yju h LEU 26 Ca -0.05 0.10 0.24 0.00 0.08 0.00 0.00 57.88 58.25 1yju h LEU 26 Cb 0.41 0.12 -0.06 0.00 1.08 0.00 0.00 40.66 42.20 1yju h LEU 26 CO 0.09 0.06 0.64 0.71 -1.08 0.00 0.00 178.44 178.86 1yju h THR 27 N 0.32 0.59 0.00 0.22 1.35 -1.06 0.29 112.91 114.62 1yju h THR 27 Ca 0.32 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 66.09 1yju h THR 27 Cb 0.45 0.31 0.00 0.00 -1.73 0.00 0.00 68.15 67.18 1yju h THR 27 CO -0.37 0.05 0.00 0.11 -0.25 0.00 0.00 175.52 175.06 1yju h LYS 28 N 0.25 0.00 0.00 4.72 1.57 -1.10 -1.01 116.57 121.00 1yju h LYS 28 Ca 0.49 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 59.26 1yju h LYS 28 Cb 1.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.78 1yju h LYS 28 CO -0.14 0.00 -0.02 0.45 -0.57 0.00 0.00 179.45 179.17 1yju h HIS 29 N 0.00 0.00 0.00 -1.35 3.86 -1.06 -3.46 115.15 113.14 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 0.20 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.67 1yju h HIS 29 CO 0.00 0.02 0.00 0.54 0.86 0.00 0.00 177.93 179.35 1yju n ARG 30 N -4.32 0.00 -0.85 2.45 1.74 -0.38 -4.85 116.66 110.45 1yju n ARG 30 Ca -0.03 0.00 -0.03 0.00 -0.77 0.00 0.00 57.85 57.02 1yju n ARG 30 Cb 0.11 -2.86 0.26 0.00 -1.02 0.00 0.00 32.46 28.95 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 4.12 3.33 -0.13 0.00 -1.26 -4.94 105.19 104.31 1yju n GLY 31 Ca 0.00 -1.07 -0.29 0.00 0.00 0.00 0.00 46.02 44.66 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 -3.04 2.04 -0.21 -0.61 -1.09 -1.26 -4.06 121.20 112.97 1yju s ILE 32 Ca 0.50 -1.38 -0.12 0.00 -2.23 0.00 0.00 60.65 57.42 1yju s ILE 32 Cb 0.41 -1.76 -0.19 0.00 -1.58 0.00 0.00 42.46 39.35 1yju s ILE 32 CO 0.09 0.31 0.04 0.18 -1.23 0.00 0.00 174.94 174.33 1yju n LEU 33 N 1.72 2.26 -3.60 2.97 7.99 0.78 -4.97 117.00 124.16 1yju n LEU 33 Ca -0.17 0.26 -0.14 0.00 -0.01 0.00 0.00 56.01 55.94 1yju n LEU 33 Cb 0.52 -0.96 -0.06 0.00 -0.11 0.00 0.00 43.42 42.81 1yju n LEU 33 CO 0.23 0.61 0.25 -0.47 -1.51 0.00 0.00 177.39 176.50 1yju s TYR 34 N -2.47 -0.40 -0.16 -1.77 5.04 -0.13 -4.96 117.35 112.49 1yju s TYR 34 Ca -0.31 0.51 -0.02 0.00 -2.44 0.00 0.00 57.07 54.81 1yju s TYR 34 Cb 0.09 0.30 0.05 0.00 0.35 0.00 0.00 41.96 42.75 1yju s TYR 34 CO 0.61 -0.59 0.03 0.00 -1.34 0.00 0.00 175.55 174.25 1yju s SER 36 N 1.90 5.28 -0.78 0.00 0.15 0.35 -4.86 113.70 115.75 1yju s SER 36 Ca 0.01 -2.36 -0.20 0.00 0.70 0.00 0.00 55.95 54.10 1yju s SER 36 Cb -0.16 -1.85 0.11 0.00 -1.71 0.00 0.00 66.02 62.41 1yju s SER 36 CO -0.07 -0.48 1.00 -0.69 1.20 0.00 0.00 173.24 174.19 1yju s VAL 37 N 0.66 4.62 -0.83 4.45 1.01 -1.26 -0.70 120.40 128.35 1yju s VAL 37 Ca 0.12 -1.07 -0.17 0.00 0.00 0.00 0.00 61.98 60.86 1yju s VAL 37 Cb -0.22 -4.69 0.16 0.00 0.00 0.00 0.00 36.38 31.63 1yju s VAL 37 CO -0.04 -1.42 0.91 0.00 0.00 0.00 0.00 175.10 174.55 1yju s ALA 38 N 3.12 3.67 0.23 5.51 0.00 0.24 -4.86 121.76 129.67 1yju s ALA 38 Ca 0.25 -2.91 -0.09 0.00 0.00 0.00 0.00 51.96 49.22 1yju s ALA 38 Cb -0.12 -3.74 0.36 0.00 0.00 0.00 0.00 23.12 19.61 1yju s ALA 38 CO -0.00 -2.59 1.35 -0.11 0.00 0.00 0.00 175.76 174.41 1yju n LEU 39 N 5.45 -0.36 -0.30 0.00 0.00 -1.26 -0.27 117.00 120.25 1yju n LEU 39 Ca 0.14 1.49 0.20 0.00 0.00 0.00 0.00 56.01 57.84 1yju n LEU 39 Cb 0.47 -0.43 0.48 0.00 0.00 0.00 0.00 43.42 43.94 1yju n LEU 39 CO 0.45 -1.41 1.22 0.00 0.00 0.00 0.00 177.39 177.64 1yju h ALA 40 N 1.62 2.13 0.00 1.96 0.00 -1.96 -0.76 119.26 122.25 1yju h ALA 40 Ca 0.39 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1yju h ALA 40 Cb 0.61 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1yju h ALA 40 CO -0.88 -0.50 -1.26 -2.37 0.00 0.00 0.00 179.25 174.24 1yju n THR 41 N -4.61 0.00 -3.53 0.00 5.66 -0.08 -5.01 114.28 106.71 1yju n THR 41 Ca 0.23 -0.26 -0.22 0.00 -3.05 0.00 0.00 64.05 60.75 1yju n THR 41 Cb 0.77 0.53 0.08 0.00 -1.55 0.00 0.00 70.33 70.16 1yju n THR 41 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 175.07 172.61 1yju n ASN 42 N -1.73 -5.61 -4.36 1.09 5.03 0.63 -4.92 115.26 105.39 1yju n ASN 42 Ca -0.00 -0.53 -0.29 0.00 0.87 0.00 0.00 54.58 54.63 1yju n ASN 42 Cb 0.33 -4.89 -0.14 0.00 -1.02 0.00 0.00 39.78 34.06 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 -6.13 1.54 -0.35 3.52 2.36 -1.22 -0.43 119.74 119.03 1yju s LYS 43 Ca 0.48 -1.23 -0.12 0.00 -2.55 0.00 0.00 55.97 52.55 1yju s LYS 43 Cb -0.21 -1.88 -0.01 0.00 -1.05 0.00 0.00 37.83 34.68 1yju s LYS 43 CO 0.70 0.46 0.23 0.00 1.55 0.00 0.00 175.35 178.30 1yju s ALA 44 N -0.95 3.44 -0.88 3.13 0.00 0.08 -0.60 121.76 125.98 1yju s ALA 44 Ca 0.12 -1.46 -0.25 0.00 0.00 0.00 0.00 51.96 50.37 1yju s ALA 44 Cb -0.10 -2.65 0.03 0.00 0.00 0.00 0.00 23.12 20.40 1yju s ALA 44 CO 0.04 -1.07 1.47 -1.58 0.00 0.00 0.00 175.76 174.62 1yju s HIS 45 N 1.68 2.30 -0.39 0.00 2.46 0.13 -2.38 115.29 119.10 1yju s HIS 45 Ca 0.05 -0.28 -0.15 0.00 0.47 0.00 0.00 55.06 55.15 1yju s HIS 45 Cb -0.18 -4.56 0.01 0.00 -0.13 0.00 0.00 32.58 27.72 1yju s HIS 45 CO 0.09 -2.00 0.33 0.42 -2.47 0.00 0.00 174.74 171.12 1yju s ILE 46 N 6.08 5.21 -0.34 0.89 1.01 -1.19 -0.50 121.20 132.36 1yju s ILE 46 Ca 0.46 -0.38 -0.22 0.00 0.00 0.00 0.00 60.65 60.51 1yju s ILE 46 Cb -0.05 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1yju s ILE 46 CO 0.02 -0.24 0.70 -0.54 0.00 0.00 0.00 174.94 174.88 1yju s LYS 47 N 1.86 3.79 -0.06 2.79 1.02 0.28 -0.63 119.74 128.79 1yju s LYS 47 Ca 0.08 0.26 -0.06 0.00 0.02 0.00 0.00 55.97 56.27 1yju s LYS 47 Cb -0.18 -3.78 0.02 0.00 -0.52 0.00 0.00 37.83 33.37 1yju s LYS 47 CO 0.11 -0.72 0.17 1.52 -0.92 0.00 0.00 175.35 175.51 1yju s TYR 48 N 2.83 -0.18 -0.37 3.18 -0.85 0.81 -0.15 117.35 122.62 1yju s TYR 48 Ca 0.28 0.43 -0.23 0.00 -0.52 0.00 0.00 57.07 57.03 1yju s TYR 48 Cb -0.14 0.06 0.01 0.00 0.38 0.00 0.00 41.96 42.27 1yju s TYR 48 CO 0.14 -0.09 0.79 0.34 -1.52 0.00 0.00 175.55 175.21 1yju s ASP 49 N 0.06 6.55 0.22 -0.18 -1.08 -1.26 -3.57 116.67 117.40 1yju s ASP 49 Ca -0.00 0.34 -0.11 0.00 -0.52 0.00 0.00 52.55 52.25 1yju s ASP 49 Cb -0.01 -2.40 0.30 0.00 -1.46 0.00 0.00 42.92 39.35 1yju s ASP 49 CO 0.00 -0.74 1.64 1.55 0.52 0.00 0.00 175.17 178.14 1yju h PRO 50 N 8.50 0.07 -0.01 4.34 0.13 -1.91 -1.69 132.00 141.44 1yju h PRO 50 Ca -0.25 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 1yju h PRO 50 Cb 1.09 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 1yju h PRO 50 CO 0.92 0.04 0.02 1.05 -0.23 0.00 0.00 178.00 179.80 1yju h GLU 51 N 0.07 0.00 -0.01 0.86 4.11 -1.98 0.32 114.58 117.95 1yju h GLU 51 Ca 0.33 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.76 1yju h GLU 51 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 1yju h GLU 51 CO -0.60 0.00 -0.39 0.44 0.07 0.00 0.00 179.01 178.53 1yju n ILE 52 N -3.28 0.00 0.00 -1.06 -5.35 -0.64 -4.82 119.36 104.21 1yju n ILE 52 Ca -0.03 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 1yju n ILE 52 Cb 0.09 1.02 0.00 0.00 -1.74 0.00 0.00 39.64 39.02 1yju n ILE 52 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1yju n ILE 53 N -0.12 0.00 -0.63 7.28 3.06 -0.22 -4.67 119.36 124.06 1yju n ILE 53 Ca 0.10 0.00 0.04 0.00 -2.50 0.00 0.00 62.75 60.40 1yju n ILE 53 Cb 0.44 -0.13 -0.02 0.00 0.54 0.00 0.00 39.64 40.47 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 -0.31 -3.12 0.11 4.50 0.00 0.97 -4.53 105.19 102.81 1yju n GLY 54 Ca 0.00 -1.21 -0.13 0.00 0.00 0.00 0.00 46.02 44.68 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 -0.31 -0.16 -0.82 1.61 0.13 -1.97 -3.32 132.00 127.16 1yju h PRO 55 Ca -0.05 0.01 0.20 0.00 -0.87 0.00 0.00 66.00 65.29 1yju h PRO 55 Cb 0.51 0.04 -0.12 0.00 0.13 0.00 0.00 31.00 31.55 1yju h PRO 55 CO 0.02 0.08 0.25 0.00 -0.23 0.00 0.00 178.00 178.12 1yju h ARG 56 N -0.39 0.28 0.00 0.86 3.08 -1.99 -0.17 114.38 116.05 1yju h ARG 56 Ca -0.02 -0.02 0.03 0.00 0.07 0.00 0.00 59.98 60.05 1yju h ARG 56 Cb 0.32 -0.06 -0.05 0.00 0.08 0.00 0.00 29.97 30.25 1yju h ARG 56 CO 0.03 0.19 -0.36 0.22 -1.07 0.00 0.00 179.97 178.98 1yju h ASP 57 N 0.29 -1.08 -0.24 7.04 3.58 -1.80 0.14 116.42 124.35 1yju h ASP 57 Ca 0.49 0.14 0.03 0.00 0.42 0.00 0.00 57.03 58.11 1yju h ASP 57 Cb 0.90 0.43 -0.03 0.00 1.72 0.00 0.00 39.33 42.35 1yju h ASP 57 CO -0.56 -0.42 0.04 0.40 -2.88 0.00 0.00 179.24 175.83 1yju h ILE 58 N -0.52 0.88 -0.33 2.25 2.04 -1.24 -1.61 117.51 118.98 1yju h ILE 58 Ca 0.06 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 65.94 1yju h ILE 58 Cb 0.60 0.74 -0.07 0.00 -0.74 0.00 0.00 36.82 37.35 1yju h ILE 58 CO -0.29 0.02 -0.16 0.40 0.00 0.00 0.00 178.15 178.13 1yju h ILE 59 N 0.13 0.51 -0.24 -0.67 1.08 -0.54 0.35 117.51 118.14 1yju h ILE 59 Ca 0.11 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.64 1yju h ILE 59 Cb 0.11 0.51 -0.07 0.00 -3.07 0.00 0.00 36.82 34.30 1yju h ILE 59 CO -0.15 0.00 -0.30 0.45 -0.69 0.00 0.00 178.15 177.46 1yju h HIS 60 N -0.11 -0.84 -0.40 1.37 3.86 -0.33 -0.47 115.15 118.24 1yju h HIS 60 Ca 0.17 0.04 0.05 0.00 -1.16 0.00 0.00 60.37 59.47 1yju h HIS 60 Cb 0.36 0.40 -0.04 0.00 1.06 0.00 0.00 27.41 29.19 1yju h HIS 60 CO -0.37 -0.38 0.14 1.15 0.86 0.00 0.00 177.93 179.34 1yju h THR 61 N -0.32 0.88 0.23 2.45 2.02 -0.33 0.15 112.91 117.99 1yju h THR 61 Ca 0.13 -0.10 0.01 0.00 0.77 0.00 0.00 66.41 67.21 1yju h THR 61 Cb 0.52 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1yju h THR 61 CO -0.42 0.06 -0.27 0.40 0.37 0.00 0.00 175.52 175.66 1yju h ILE 62 N 0.30 0.43 -0.36 3.11 2.04 -0.11 0.89 117.51 123.81 1yju h ILE 62 Ca 0.19 0.00 -0.07 0.00 1.00 0.00 0.00 64.86 65.97 1yju h ILE 62 Cb 0.17 0.43 -0.01 0.00 -0.74 0.00 0.00 36.82 36.67 1yju h ILE 62 CO -0.19 0.00 -0.06 1.05 0.00 0.00 0.00 178.15 178.95 1yju h GLU 63 N -0.54 0.67 -0.95 2.37 -0.00 -0.93 -0.29 114.58 114.92 1yju h GLU 63 Ca 0.00 -0.24 0.05 0.00 -0.00 0.00 0.00 59.36 59.17 1yju h GLU 63 Cb 0.52 -0.05 -0.06 0.00 -0.00 0.00 0.00 28.75 29.16 1yju h GLU 63 CO -0.08 0.82 0.61 1.03 -0.00 0.00 0.00 179.01 181.38 1yju h SER 64 N 0.47 0.99 0.96 3.06 0.87 -0.56 -1.53 113.55 117.81 1yju h SER 64 Ca 0.10 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.61 1yju h SER 64 Cb 0.55 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 62.31 1yju h SER 64 CO 0.03 0.65 -0.46 -0.07 -0.53 0.00 0.00 176.83 176.45 1yju h LEU 65 N 1.14 -1.09 0.00 2.23 3.38 -0.71 -3.47 115.31 116.79 1yju h LEU 65 Ca 0.39 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.40 1yju h LEU 65 Cb 0.09 0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1yju h LEU 65 CO -0.15 -0.75 0.00 0.61 0.09 0.00 0.00 178.44 178.24 1yju n GLY 66 N -1.48 0.27 3.53 0.83 0.00 -0.53 -5.11 105.19 102.69 1yju n GLY 66 Ca -0.16 -0.16 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.05 2.82 0.07 1.61 0.08 -0.23 -4.87 117.98 116.41 1yju s PHE 67 Ca 0.00 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 56.67 1yju s PHE 67 Cb 0.00 -1.67 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 1yju s PHE 67 CO 0.00 0.25 0.97 -2.00 -0.10 0.00 0.00 175.22 174.33 1yju s GLU 68 N -0.74 4.65 0.22 0.44 2.12 -0.08 -3.23 118.70 122.08 1yju s GLU 68 Ca 0.11 1.44 0.11 0.00 0.36 0.00 0.00 54.97 56.99 1yju s GLU 68 Cb -0.11 -3.41 -0.05 0.00 0.26 0.00 0.00 34.13 30.83 1yju s GLU 68 CO 0.01 0.12 -0.20 0.00 -0.54 0.00 0.00 175.26 174.65 1yju s ALA 69 N 0.35 2.43 -0.08 6.30 0.00 -1.26 -0.21 121.76 129.29 1yju s ALA 69 Ca 0.49 -1.69 -0.16 0.00 0.00 0.00 0.00 51.96 50.59 1yju s ALA 69 Cb -0.22 -0.24 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1yju s ALA 69 CO 0.29 0.29 0.39 0.45 0.00 0.00 0.00 175.76 177.18 1yju s SER 70 N -3.04 -0.35 0.01 0.00 0.15 -0.23 -4.99 113.70 105.24 1yju s SER 70 Ca 0.23 0.48 -0.30 0.00 0.70 0.00 0.00 55.95 57.06 1yju s SER 70 Cb -0.06 0.57 -0.03 0.00 -1.71 0.00 0.00 66.02 64.79 1yju s SER 70 CO 0.11 -0.33 0.97 -0.76 1.20 0.00 0.00 173.24 174.43 1yju s LEU 71 N -0.63 4.38 0.00 3.45 1.43 -1.26 -0.28 118.68 125.76 1yju s LEU 71 Ca -0.07 1.66 0.00 0.00 -1.03 0.00 0.00 54.13 54.69 1yju s LEU 71 Cb -0.04 -3.56 0.00 0.00 0.03 0.00 0.00 46.19 42.62 1yju s LEU 71 CO 0.03 -0.24 0.00 1.33 0.23 0.00 0.00 176.35 177.70 1yju n VAL 72 N 3.83 0.00 -3.03 -1.59 0.24 0.24 -4.87 118.33 113.14 1yju n VAL 72 Ca 0.06 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.20 1yju n VAL 72 Cb 0.51 -0.60 0.02 0.00 -1.47 0.00 0.00 33.84 32.29 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 -2.31 -2.25 -3.91 7.34 4.81 0.16 -4.97 118.16 117.02 1yju n LYS 73 Ca 0.00 1.93 -0.09 0.00 -0.87 0.00 0.00 58.31 59.27 1yju n LYS 73 Cb 0.48 -4.73 -0.09 0.00 0.02 0.00 0.00 35.03 30.70 1yju n LYS 73 CO 0.00 0.00 0.00 -1.50 1.17 0.00 0.00 177.40 177.07 1yju s ILE 74 N -2.33 0.13 0.00 3.15 -1.16 -1.26 -4.94 121.20 114.79 1yju s ILE 74 Ca 0.28 -1.08 0.00 0.00 -0.51 0.00 0.00 60.65 59.34 1yju s ILE 74 Cb -0.06 -0.93 0.00 0.00 0.61 0.00 0.00 42.46 42.08 1yju s ILE 74 CO 0.80 -0.59 0.00 -0.62 -2.81 0.00 0.00 174.94 171.71