#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 1.28 3.81 -5.12 0.00 -1.26 -4.94 105.19 98.96 1yju n GLY 2 Ca 0.00 0.68 -0.33 0.00 0.00 0.00 0.00 46.02 46.37 1yju n GLY 2 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1yju s ASP 3 N 1.55 6.67 -0.37 1.61 -4.77 -1.26 -4.99 116.67 115.10 1yju s ASP 3 Ca 0.80 1.76 -0.28 0.00 -3.30 0.00 0.00 52.55 51.53 1yju s ASP 3 Cb -0.64 -2.54 -0.01 0.00 -1.09 0.00 0.00 42.92 38.64 1yju s ASP 3 CO 0.39 -0.55 1.71 -0.83 0.70 0.00 0.00 175.17 176.59 1yju s GLY 4 N -2.23 0.82 0.01 2.12 0.00 0.14 -4.89 107.32 103.28 1yju s GLY 4 Ca 0.63 0.09 -0.30 0.00 0.00 0.00 0.00 44.72 45.15 1yju s GLY 4 CO 0.18 3.16 1.04 0.14 0.00 0.00 0.00 173.10 177.61 1yju s VAL 5 N 6.70 4.66 -0.15 1.40 1.01 -1.26 -0.99 120.40 131.77 1yju s VAL 5 Ca 0.74 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.62 1yju s VAL 5 Cb -0.20 -4.22 -0.01 0.00 0.00 0.00 0.00 36.38 31.94 1yju s VAL 5 CO 0.32 0.14 -0.11 -0.22 0.00 0.00 0.00 175.10 175.24 1yju s LEU 6 N 1.06 2.80 -0.30 3.92 2.96 0.76 -4.88 118.68 124.99 1yju s LEU 6 Ca 0.54 -0.32 0.03 0.00 -0.22 0.00 0.00 54.13 54.16 1yju s LEU 6 Cb -0.23 -1.65 0.08 0.00 0.50 0.00 0.00 46.19 44.89 1yju s LEU 6 CO 0.28 0.13 -0.01 -1.61 -1.32 0.00 0.00 176.35 173.83 1yju s GLU 7 N 0.54 1.69 -0.11 1.98 2.02 -1.26 -0.61 118.70 122.96 1yju s GLU 7 Ca -0.07 -1.59 -0.20 0.00 0.02 0.00 0.00 54.97 53.14 1yju s GLU 7 Cb -0.15 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.05 1yju s GLU 7 CO 0.03 -0.79 0.54 -0.51 0.02 0.00 0.00 175.26 174.55 1yju s LEU 8 N 1.05 4.28 0.06 1.80 1.43 -1.17 -0.87 118.68 125.25 1yju s LEU 8 Ca 0.03 0.91 -0.30 0.00 -1.03 0.00 0.00 54.13 53.74 1yju s LEU 8 Cb -0.19 -2.80 -0.05 0.00 0.03 0.00 0.00 46.19 43.17 1yju s LEU 8 CO -0.08 -0.04 1.11 0.54 0.23 0.00 0.00 176.35 178.11 1yju s VAL 9 N 0.72 4.28 0.10 -1.59 0.11 0.96 -0.54 120.40 124.43 1yju s VAL 9 Ca 0.29 1.69 0.05 0.00 -2.93 0.00 0.00 61.98 61.08 1yju s VAL 9 Cb -0.16 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1yju s VAL 9 CO 0.12 0.16 0.02 -0.69 -3.33 0.00 0.00 175.10 171.39 1yju s VAL 10 N 0.81 4.12 -0.05 2.04 1.01 0.35 -0.39 120.40 128.29 1yju s VAL 10 Ca 0.55 -0.97 -0.00 0.00 0.00 0.00 0.00 61.98 61.55 1yju s VAL 10 Cb -0.27 -2.98 0.03 0.00 0.00 0.00 0.00 36.38 33.16 1yju s VAL 10 CO 0.30 0.10 -0.02 0.00 0.00 0.00 0.00 175.10 175.48 1yju s ARG 11 N -2.39 0.65 0.00 2.72 1.70 -1.26 -4.79 118.95 115.58 1yju s ARG 11 Ca 0.27 0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.54 1yju s ARG 11 Cb -0.12 -0.85 0.00 0.00 -0.57 0.00 0.00 34.95 33.42 1yju s ARG 11 CO 0.19 -0.19 0.00 0.41 -1.08 0.00 0.00 175.30 174.63 1yju n GLY 12 N 4.56 1.27 3.76 3.88 0.00 -1.26 -3.34 105.19 114.06 1yju n GLY 12 Ca -0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.49 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 3.10 -0.28 1.61 0.23 -1.26 -5.05 119.30 117.65 1yju s MET 13 Ca 0.00 1.83 -0.25 0.00 -1.03 0.00 0.00 55.69 56.25 1yju s MET 13 Cb 0.00 -2.00 0.09 0.00 -1.53 0.00 0.00 34.83 31.39 1yju s MET 13 CO 0.00 -1.11 0.84 -0.08 -2.03 0.00 0.00 175.02 172.64 1yju s THR 14 N -1.58 0.00 0.19 3.16 -1.32 -1.26 -4.98 115.64 109.85 1yju s THR 14 Ca 0.75 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 61.23 1yju s THR 14 Cb -0.30 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.69 1yju s THR 14 CO 0.34 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.75 1yju n ALA 16 N -1.14 1.31 -0.71 0.00 0.00 -1.26 -1.26 120.51 117.44 1yju n ALA 16 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 53.44 54.28 1yju n ALA 16 Cb 0.03 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.46 1yju n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1yju n SER 17 N -4.66 0.00 -0.12 0.00 3.41 -1.26 -0.32 113.62 110.66 1yju n SER 17 Ca 0.39 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.79 1yju n SER 17 Cb 1.51 -0.15 0.52 0.00 -0.26 0.00 0.00 64.21 65.83 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 -4.47 0.00 0.32 0.00 0.31 -0.39 -3.51 118.33 110.59 1yju n VAL 19 Ca 0.12 1.24 0.14 0.00 -0.01 0.00 0.00 64.34 65.84 1yju n VAL 19 Cb 0.48 -2.06 0.64 0.00 -0.91 0.00 0.00 33.84 31.98 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 -0.67 3.52 2.07 0.46 -1.66 115.15 118.86 1yju h HIS 20 Ca 0.00 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.59 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 -0.10 0.00 0.36 -0.22 -3.07 0.00 0.00 177.93 174.90 1yju h LYS 21 N 0.00 0.62 0.54 5.12 3.64 -0.70 0.26 116.57 126.05 1yju h LYS 21 Ca 0.00 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 1yju h LYS 21 Cb 0.29 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 1yju h LYS 21 CO 0.00 0.41 -0.31 0.82 -2.27 0.00 0.00 179.45 178.11 1yju h ILE 22 N 0.64 0.00 0.09 2.00 2.04 -1.35 0.24 117.51 121.17 1yju h ILE 22 Ca 0.31 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 66.17 1yju h ILE 22 Cb 0.25 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.33 1yju h ILE 22 CO -0.22 0.00 -0.04 1.05 0.00 0.00 0.00 178.15 178.94 1yju h GLU 23 N -0.78 -0.12 -0.37 2.37 4.11 -1.57 0.76 114.58 118.98 1yju h GLU 23 Ca -0.07 0.01 0.08 0.00 0.07 0.00 0.00 59.36 59.44 1yju h GLU 23 Cb 0.62 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 29.81 1yju h GLU 23 CO 0.09 -0.07 -0.21 1.03 0.07 0.00 0.00 179.01 179.92 1yju h SER 24 N -0.13 -0.72 0.24 3.06 0.87 -0.57 0.18 113.55 116.48 1yju h SER 24 Ca -0.01 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.71 1yju h SER 24 Cb 0.10 0.37 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 1yju h SER 24 CO 0.02 -0.24 -0.26 -1.28 -0.53 0.00 0.00 176.83 174.53 1yju h SER 25 N -0.16 -0.71 -0.04 6.23 0.87 -0.16 -2.91 113.55 116.68 1yju h SER 25 Ca 0.18 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.72 1yju h SER 25 Cb 0.44 0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1yju h SER 25 CO -0.47 -0.38 -0.25 -0.07 -0.53 0.00 0.00 176.83 175.14 1yju h LEU 26 N -0.54 0.46 -0.21 2.23 3.38 -0.46 0.40 115.31 120.58 1yju h LEU 26 Ca -0.00 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 1yju h LEU 26 Cb 0.51 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1yju h LEU 26 CO -0.07 0.71 0.00 0.41 0.09 0.00 0.00 178.44 179.58 1yju n THR 27 N -4.13 1.74 0.24 0.22 -1.04 0.01 -0.82 114.28 110.51 1yju n THR 27 Ca -0.00 0.50 0.13 0.00 -2.04 0.00 0.00 64.05 62.64 1yju n THR 27 Cb 0.40 -1.47 0.37 0.00 -1.82 0.00 0.00 70.33 67.81 1yju n THR 27 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 1yju h LYS 28 N 0.00 0.00 0.00 -2.82 1.79 -0.72 -3.44 116.57 111.39 1yju h LYS 28 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1yju h LYS 28 Cb 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1yju h LYS 28 CO 0.00 0.04 0.00 0.72 -1.08 0.00 0.00 179.45 179.13 1yju n HIS 29 N -3.12 -2.91 -0.31 -1.35 8.25 -0.00 -5.03 115.22 110.74 1yju n HIS 29 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.48 1yju n HIS 29 Cb 0.45 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.56 1yju n HIS 29 CO 0.00 0.00 0.00 -2.13 0.64 0.00 0.00 176.34 174.85 1yju n ARG 30 N -1.30 -0.21 0.01 -0.41 0.63 -1.26 -4.76 116.66 109.36 1yju n ARG 30 Ca 0.00 -0.30 0.11 0.00 -0.92 0.00 0.00 57.85 56.74 1yju n ARG 30 Cb 0.00 -0.79 -0.14 0.00 0.45 0.00 0.00 32.46 31.99 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yju n GLY 31 N 0.06 -1.09 3.62 5.14 0.00 -1.26 -4.83 105.19 106.82 1yju n GLY 31 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.13 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 -3.49 4.38 0.07 -0.61 1.09 -1.26 -4.03 121.20 117.35 1yju s ILE 32 Ca -0.06 1.53 -0.08 0.00 -1.10 0.00 0.00 60.65 60.94 1yju s ILE 32 Cb 0.13 -4.49 -0.30 0.00 -1.06 0.00 0.00 42.46 36.75 1yju s ILE 32 CO 0.89 -0.69 1.11 -0.07 -0.10 0.00 0.00 174.94 176.08 1yju h LEU 33 N 10.55 0.56 -7.25 2.97 3.38 -0.61 -3.47 115.31 121.44 1yju h LEU 33 Ca -0.22 -0.59 -0.09 0.00 0.09 0.00 0.00 57.88 57.08 1yju h LEU 33 Cb 1.06 -0.18 -0.19 0.00 0.09 0.00 0.00 40.66 41.44 1yju h LEU 33 CO 1.07 1.46 -0.04 -0.47 0.09 0.00 0.00 178.44 180.55 1yju s TYR 34 N -2.68 -0.42 -0.43 1.13 5.04 -0.96 -4.96 117.35 114.08 1yju s TYR 34 Ca -0.06 0.66 0.06 0.00 -2.44 0.00 0.00 57.07 55.30 1yju s TYR 34 Cb 0.06 0.26 0.18 0.00 0.35 0.00 0.00 41.96 42.81 1yju s TYR 34 CO 0.90 -0.52 0.57 0.00 -1.34 0.00 0.00 175.55 175.17 1yju s SER 36 N 1.38 5.12 -0.86 0.00 0.01 0.08 -4.77 113.70 114.65 1yju s SER 36 Ca 0.21 -1.45 -0.16 0.00 1.31 0.00 0.00 55.95 55.86 1yju s SER 36 Cb -0.05 -1.79 0.19 0.00 0.21 0.00 0.00 66.02 64.57 1yju s SER 36 CO -0.06 -0.36 0.89 0.54 0.41 0.00 0.00 173.24 174.66 1yju s VAL 37 N 1.27 5.29 -0.90 3.43 0.11 -1.26 -0.69 120.40 127.64 1yju s VAL 37 Ca -0.00 -2.13 -0.22 0.00 -2.93 0.00 0.00 61.98 56.69 1yju s VAL 37 Cb -0.21 -4.58 0.08 0.00 -1.53 0.00 0.00 36.38 30.14 1yju s VAL 37 CO -0.01 -1.20 1.24 0.00 -3.33 0.00 0.00 175.10 171.80 1yju s ALA 38 N 1.10 3.01 0.37 1.54 0.00 0.52 -4.86 121.76 123.44 1yju s ALA 38 Ca 0.23 -2.29 0.21 0.00 0.00 0.00 0.00 51.96 50.11 1yju s ALA 38 Cb -0.08 -4.22 1.32 0.00 0.00 0.00 0.00 23.12 20.13 1yju s ALA 38 CO -0.09 -3.22 1.59 1.25 0.00 0.00 0.00 175.76 175.29 1yju h LEU 39 N 11.74 0.34 -1.69 0.00 6.46 -1.92 0.12 115.31 130.35 1yju h LEU 39 Ca 0.06 0.25 0.14 0.00 -0.12 0.00 0.00 57.88 58.21 1yju h LEU 39 Cb 1.03 0.25 -0.04 0.00 -0.73 0.00 0.00 40.66 41.17 1yju h LEU 39 CO 1.26 -0.40 0.45 0.00 -0.62 0.00 0.00 178.44 179.13 1yju h ALA 40 N 1.97 2.18 -0.14 1.25 0.00 -1.95 0.74 119.26 123.30 1yju h ALA 40 Ca 0.84 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.74 1yju h ALA 40 Cb 2.20 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.95 1yju h ALA 40 CO -0.74 -0.36 0.00 -2.37 0.00 0.00 0.00 179.25 175.78 1yju n THR 41 N -4.45 1.12 -3.87 0.00 5.66 0.23 -5.00 114.28 107.97 1yju n THR 41 Ca 0.12 -1.12 -0.33 0.00 -3.05 0.00 0.00 64.05 59.67 1yju n THR 41 Cb 0.51 0.42 -0.06 0.00 -1.55 0.00 0.00 70.33 69.65 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 -0.18 -1.45 -4.24 1.09 3.02 0.25 -4.90 115.26 108.86 1yju n ASN 42 Ca 0.06 -0.92 -0.27 0.00 -0.03 0.00 0.00 54.58 53.42 1yju n ASN 42 Cb 0.37 -1.27 -0.15 0.00 -0.61 0.00 0.00 39.78 38.11 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1yju s LYS 43 N -5.97 1.67 -0.62 3.52 2.36 -1.09 -0.50 119.74 119.12 1yju s LYS 43 Ca 0.64 -0.81 -0.14 0.00 -2.55 0.00 0.00 55.97 53.11 1yju s LYS 43 Cb -0.37 -1.65 0.16 0.00 -1.05 0.00 0.00 37.83 34.91 1yju s LYS 43 CO 0.78 0.45 0.55 0.00 1.55 0.00 0.00 175.35 178.68 1yju s ALA 44 N -0.57 3.74 -0.67 3.13 0.00 0.29 -0.35 121.76 127.33 1yju s ALA 44 Ca 0.08 -2.81 -0.27 0.00 0.00 0.00 0.00 51.96 48.96 1yju s ALA 44 Cb -0.08 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.81 1yju s ALA 44 CO -0.00 -2.08 1.42 -1.58 0.00 0.00 0.00 175.76 173.52 1yju s HIS 45 N 1.05 2.17 -0.31 0.00 2.46 0.13 -3.06 115.29 117.73 1yju s HIS 45 Ca 0.09 0.25 -0.06 0.00 0.47 0.00 0.00 55.06 55.80 1yju s HIS 45 Cb -0.23 -4.47 0.03 0.00 -0.13 0.00 0.00 32.58 27.78 1yju s HIS 45 CO -0.01 -2.08 0.07 0.42 -2.47 0.00 0.00 174.74 170.66 1yju s ILE 46 N 6.45 3.72 -0.17 0.89 1.01 0.22 -0.74 121.20 132.59 1yju s ILE 46 Ca 0.45 -0.96 -0.22 0.00 0.00 0.00 0.00 60.65 59.93 1yju s ILE 46 Cb -0.09 -3.01 -0.03 0.00 0.01 0.00 0.00 42.46 39.34 1yju s ILE 46 CO 0.19 -0.03 0.68 -0.54 0.00 0.00 0.00 174.94 175.24 1yju s LYS 47 N 1.43 4.27 0.33 2.79 1.02 0.30 -0.17 119.74 129.71 1yju s LYS 47 Ca 0.00 0.75 -0.03 0.00 0.02 0.00 0.00 55.97 56.70 1yju s LYS 47 Cb -0.18 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.58 1yju s LYS 47 CO 0.02 -0.19 0.47 1.52 -0.92 0.00 0.00 175.35 176.24 1yju s TYR 48 N 1.73 1.00 -0.02 3.18 1.13 -0.16 0.16 117.35 124.37 1yju s TYR 48 Ca 0.32 -1.25 0.02 0.00 -1.41 0.00 0.00 57.07 54.76 1yju s TYR 48 Cb -0.16 -0.07 0.00 0.00 -1.10 0.00 0.00 41.96 40.63 1yju s TYR 48 CO 0.12 -1.11 -0.08 -0.51 -2.51 0.00 0.00 175.55 171.45 1yju s ASP 49 N -3.22 1.09 -1.07 -0.18 1.01 -1.26 0.24 116.67 113.28 1yju s ASP 49 Ca 0.30 -0.17 -0.16 0.00 0.71 0.00 0.00 52.55 53.23 1yju s ASP 49 Cb -0.00 -0.24 -0.08 0.00 1.01 0.00 0.00 42.92 43.61 1yju s ASP 49 CO 0.19 0.07 2.13 -0.81 0.21 0.00 0.00 175.17 176.96 1yju n PRO 50 N 3.18 2.17 0.00 8.23 -0.04 -1.25 -2.03 135.00 145.26 1yju n PRO 50 Ca -0.17 -2.04 0.00 0.00 -0.04 0.00 0.00 63.50 61.25 1yju n PRO 50 Cb 0.55 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 6.05 0.00 0.04 0.54 0.28 -1.26 -4.92 120.64 121.36 1yju n GLU 51 Ca 0.52 0.00 -0.05 0.00 -0.16 0.00 0.00 57.16 57.47 1yju n GLU 51 Cb 0.35 0.00 -0.10 0.00 1.43 0.00 0.00 31.44 33.11 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 1.10 -2.77 3.84 3.07 -1.76 -3.47 117.51 117.52 1yju h ILE 52 Ca 0.00 -2.79 -0.05 0.00 1.55 0.00 0.00 64.86 63.58 1yju h ILE 52 Cb 0.00 2.51 -0.15 0.00 -0.27 0.00 0.00 36.82 38.91 1yju h ILE 52 CO 0.00 0.63 0.12 -0.51 -1.05 0.00 0.00 178.15 177.34 1yju s ILE 53 N -2.73 0.02 0.44 0.16 2.07 -1.10 -4.39 121.20 115.66 1yju s ILE 53 Ca -0.01 -0.14 -0.01 0.00 -1.41 0.00 0.00 60.65 59.08 1yju s ILE 53 Cb 0.09 -1.00 -0.01 0.00 0.13 0.00 0.00 42.46 41.66 1yju s ILE 53 CO 0.81 -0.08 0.67 -0.83 -1.91 0.00 0.00 174.94 173.60 1yju s GLY 54 N -2.18 1.51 0.04 1.50 0.00 -1.26 -3.95 107.32 102.98 1yju s GLY 54 Ca -0.03 -0.94 -0.20 0.00 0.00 0.00 0.00 44.72 43.54 1yju s GLY 54 CO -0.05 -0.79 1.30 -0.56 0.00 0.00 0.00 173.10 173.00 1yju h PRO 55 N 0.42 0.40 -0.07 2.90 0.13 -2.00 -3.18 132.00 130.60 1yju h PRO 55 Ca -0.47 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 64.40 1yju h PRO 55 Cb 1.24 0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 1yju h PRO 55 CO 0.59 0.84 -0.01 -0.09 -0.23 0.00 0.00 178.00 179.10 1yju h ARG 56 N 0.00 0.10 0.28 0.86 9.65 -1.98 -0.12 114.38 123.17 1yju h ARG 56 Ca 0.01 -0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.88 1yju h ARG 56 Cb 0.82 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.34 1yju h ARG 56 CO 0.05 0.12 -0.40 -0.44 2.80 0.00 0.00 179.97 182.10 1yju h ASP 57 N 0.10 -1.14 -0.18 -3.80 5.19 -1.97 0.24 116.42 114.86 1yju h ASP 57 Ca 0.02 0.11 0.03 0.00 -0.62 0.00 0.00 57.03 56.58 1yju h ASP 57 Cb 0.10 0.40 -0.03 0.00 0.18 0.00 0.00 39.33 39.98 1yju h ASP 57 CO 0.00 -0.52 -0.03 0.40 -3.12 0.00 0.00 179.24 175.97 1yju h ILE 58 N -0.74 0.83 -0.25 0.35 2.04 -1.30 -0.56 117.51 117.89 1yju h ILE 58 Ca -0.01 -0.01 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1yju h ILE 58 Cb 0.70 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 1yju h ILE 58 CO -0.14 0.00 0.09 0.40 0.00 0.00 0.00 178.15 178.50 1yju h ILE 59 N 0.02 0.95 -0.74 -0.67 2.04 -0.76 0.11 117.51 118.44 1yju h ILE 59 Ca 0.09 -0.07 0.12 0.00 1.00 0.00 0.00 64.86 65.99 1yju h ILE 59 Cb 0.13 0.72 -0.08 0.00 -0.74 0.00 0.00 36.82 36.84 1yju h ILE 59 CO -0.18 0.04 0.34 0.45 0.00 0.00 0.00 178.15 178.80 1yju h HIS 60 N 0.21 0.60 -0.59 1.37 3.86 -0.28 0.15 115.15 120.46 1yju h HIS 60 Ca 0.11 0.03 -0.02 0.00 -1.16 0.00 0.00 60.37 59.32 1yju h HIS 60 Cb 0.07 -0.16 -0.03 0.00 1.06 0.00 0.00 27.41 28.35 1yju h HIS 60 CO -0.12 0.16 0.27 1.15 0.86 0.00 0.00 177.93 180.25 1yju h THR 61 N 0.54 1.22 -0.22 2.45 2.02 0.56 0.16 112.91 119.63 1yju h THR 61 Ca 0.39 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.91 1yju h THR 61 Cb 0.50 0.53 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 1yju h THR 61 CO -0.33 0.25 -0.01 0.40 0.37 0.00 0.00 175.52 176.20 1yju h ILE 62 N 0.81 1.26 -0.08 3.11 2.04 0.41 0.17 117.51 125.23 1yju h ILE 62 Ca 0.20 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.19 1yju h ILE 62 Cb 0.14 1.43 -0.06 0.00 -0.74 0.00 0.00 36.82 37.59 1yju h ILE 62 CO -0.02 0.28 -0.32 -0.33 0.00 0.00 0.00 178.15 177.76 1yju h GLU 63 N 0.15 -0.41 -0.26 2.37 5.08 -0.66 0.10 114.58 120.95 1yju h GLU 63 Ca 0.06 0.03 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1yju h GLU 63 Cb 0.42 0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.71 1yju h GLU 63 CO 0.01 -0.27 -0.14 1.03 -1.00 0.00 0.00 179.01 178.64 1yju h SER 64 N -0.42 -0.46 -0.54 1.42 0.87 -0.51 -2.29 113.55 111.61 1yju h SER 64 Ca 0.08 0.11 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1yju h SER 64 Cb 0.55 0.25 -0.03 0.00 -0.44 0.00 0.00 62.40 62.73 1yju h SER 64 CO -0.32 -0.17 0.34 -0.07 -0.53 0.00 0.00 176.83 176.08 1yju h LEU 65 N -0.11 0.64 0.00 2.23 3.38 -0.39 -3.45 115.31 117.61 1yju h LEU 65 Ca 0.14 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.07 1yju h LEU 65 Cb 0.32 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1yju h LEU 65 CO -0.33 0.49 0.00 0.61 0.09 0.00 0.00 178.44 179.31 1yju n GLY 66 N -1.17 -0.37 3.21 0.83 0.00 0.17 -5.09 105.19 102.78 1yju n GLY 66 Ca 0.03 -0.00 -0.25 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 -1.66 1.68 -1.26 1.61 0.08 -0.20 -4.88 117.98 113.34 1yju s PHE 67 Ca 0.00 -0.34 -0.19 0.00 0.12 0.00 0.00 56.93 56.52 1yju s PHE 67 Cb 0.00 -1.03 0.05 0.00 -0.57 0.00 0.00 43.02 41.46 1yju s PHE 67 CO 0.00 0.03 1.75 -1.21 -0.10 0.00 0.00 175.22 175.69 1yju s GLU 68 N -0.84 3.74 0.64 0.44 2.02 -1.21 -3.35 118.70 120.13 1yju s GLU 68 Ca 0.07 -1.82 -0.12 0.00 0.02 0.00 0.00 54.97 53.11 1yju s GLU 68 Cb -0.08 -5.48 -0.02 0.00 0.10 0.00 0.00 34.13 28.64 1yju s GLU 68 CO 0.01 -2.51 1.04 0.00 0.02 0.00 0.00 175.26 173.82 1yju s ALA 69 N 5.28 2.86 -0.25 5.21 0.00 -1.26 -4.08 121.76 129.52 1yju s ALA 69 Ca 0.56 0.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.54 1yju s ALA 69 Cb 0.03 -3.15 0.12 0.00 0.00 0.00 0.00 23.12 20.12 1yju s ALA 69 CO 0.08 -0.89 0.50 -1.12 0.00 0.00 0.00 175.76 174.32 1yju s SER 70 N -3.68 -0.57 0.04 0.00 0.01 0.48 -4.97 113.70 105.00 1yju s SER 70 Ca 0.58 1.04 -0.30 0.00 1.31 0.00 0.00 55.95 58.58 1yju s SER 70 Cb -0.13 1.69 -0.09 0.00 0.21 0.00 0.00 66.02 67.70 1yju s SER 70 CO 0.49 -0.24 1.90 -0.76 0.41 0.00 0.00 173.24 175.04 1yju s LEU 71 N 2.72 4.41 -0.29 2.44 1.43 -1.26 -0.03 118.68 128.10 1yju s LEU 71 Ca 0.02 2.63 0.18 0.00 -1.03 0.00 0.00 54.13 55.93 1yju s LEU 71 Cb -0.13 -3.54 0.48 0.00 0.03 0.00 0.00 46.19 43.04 1yju s LEU 71 CO -0.16 -1.03 1.07 1.33 0.23 0.00 0.00 176.35 177.80 1yju n VAL 72 N 5.38 1.41 -0.74 -1.59 0.24 -0.05 -4.88 118.33 118.10 1yju n VAL 72 Ca 0.19 -3.24 0.00 0.00 -2.04 0.00 0.00 64.34 59.25 1yju n VAL 72 Cb 0.41 0.66 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1yju n VAL 72 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1yju n LYS 73 N -0.45 3.76 -1.45 7.34 2.85 -1.22 -4.90 118.16 124.10 1yju n LYS 73 Ca 0.14 0.00 -0.40 0.00 -1.05 0.00 0.00 58.31 57.00 1yju n LYS 73 Cb 0.82 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 35.18 1yju n LYS 73 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 177.40 176.46 1yju n ILE 74 N 0.00 3.29 0.89 0.58 -0.00 -1.26 -5.04 119.36 117.81 1yju n ILE 74 Ca 0.00 -2.53 0.07 0.00 -0.00 0.00 0.00 62.75 60.29 1yju n ILE 74 Cb 0.00 -2.52 0.42 0.00 -0.00 0.00 0.00 39.64 37.54 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93