#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 -1.87 3.56 3.03 0.00 -1.26 -4.88 105.19 103.77 1yju n GLY 2 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 1yju n GLY 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yju s ASP 3 N 0.00 4.63 -1.19 1.61 1.11 -1.26 -4.85 116.67 116.73 1yju s ASP 3 Ca 0.00 -0.13 -0.08 0.00 0.18 0.00 0.00 52.55 52.52 1yju s ASP 3 Cb 0.00 -2.55 -0.10 0.00 1.07 0.00 0.00 42.92 41.35 1yju s ASP 3 CO 0.00 -3.13 2.74 0.61 1.18 0.00 0.00 175.17 176.57 1yju n GLY 4 N 6.63 3.69 3.43 0.21 0.00 -1.26 -4.77 105.19 113.12 1yju n GLY 4 Ca 0.40 -1.24 -0.14 0.00 0.00 0.00 0.00 46.02 45.04 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 2.42 0.01 -0.18 1.61 0.11 -1.21 -3.58 120.40 119.58 1yju s VAL 5 Ca 0.59 -0.07 -0.04 0.00 -2.93 0.00 0.00 61.98 59.52 1yju s VAL 5 Cb 0.17 -0.79 0.09 0.00 -1.53 0.00 0.00 36.38 34.32 1yju s VAL 5 CO -0.04 -0.04 0.29 -0.22 -3.33 0.00 0.00 175.10 171.75 1yju s LEU 6 N -0.24 -0.35 -0.22 2.54 0.20 0.75 -4.88 118.68 116.48 1yju s LEU 6 Ca -0.04 0.34 -0.07 0.00 0.69 0.00 0.00 54.13 55.05 1yju s LEU 6 Cb -0.03 0.76 -0.03 0.00 -0.43 0.00 0.00 46.19 46.45 1yju s LEU 6 CO 0.03 -0.27 0.05 -1.61 -0.29 0.00 0.00 176.35 174.26 1yju s GLU 7 N 2.44 3.76 -0.06 1.98 2.02 -1.26 -0.50 118.70 127.07 1yju s GLU 7 Ca 0.05 -0.44 -0.03 0.00 0.02 0.00 0.00 54.97 54.56 1yju s GLU 7 Cb -0.14 -3.24 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 1yju s GLU 7 CO -0.11 0.01 0.10 -0.51 0.02 0.00 0.00 175.26 174.77 1yju s LEU 8 N 1.06 4.06 0.25 1.80 1.43 -1.08 -3.70 118.68 122.51 1yju s LEU 8 Ca 0.04 0.29 -0.30 0.00 -1.03 0.00 0.00 54.13 53.13 1yju s LEU 8 Cb -0.14 -2.15 -0.09 0.00 0.03 0.00 0.00 46.19 43.84 1yju s LEU 8 CO 0.03 0.34 1.07 -0.69 0.23 0.00 0.00 176.35 177.33 1yju s VAL 9 N -1.09 3.69 -0.06 -1.59 1.01 0.64 -0.62 120.40 122.39 1yju s VAL 9 Ca 0.19 1.64 0.03 0.00 0.00 0.00 0.00 61.98 63.84 1yju s VAL 9 Cb -0.12 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.22 1yju s VAL 9 CO 0.08 0.37 -0.15 0.68 0.00 0.00 0.00 175.10 176.08 1yju s VAL 10 N -0.94 1.32 0.04 2.92 -7.23 0.33 0.00 120.40 116.84 1yju s VAL 10 Ca 0.45 -0.61 0.06 0.00 -1.81 0.00 0.00 61.98 60.08 1yju s VAL 10 Cb -0.30 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.44 1yju s VAL 10 CO 0.38 0.39 -0.19 0.00 -0.31 0.00 0.00 175.10 175.38 1yju s ARG 11 N 0.46 1.27 0.00 4.82 1.70 -0.03 -4.64 118.95 122.52 1yju s ARG 11 Ca -0.12 -0.86 0.00 0.00 -0.47 0.00 0.00 55.73 54.28 1yju s ARG 11 Cb -0.15 -1.34 0.00 0.00 -0.57 0.00 0.00 34.95 32.89 1yju s ARG 11 CO 0.04 0.34 0.00 0.41 -1.08 0.00 0.00 175.30 175.01 1yju n GLY 12 N 1.95 1.51 3.75 3.88 0.00 -1.26 -0.86 105.19 114.16 1yju n GLY 12 Ca -0.17 -0.19 -0.41 0.00 0.00 0.00 0.00 46.02 45.25 1yju n GLY 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1yju n MET 13 N 0.00 2.25 -0.05 1.61 2.81 -1.26 -4.92 117.12 117.56 1yju n MET 13 Ca 0.00 0.80 0.00 0.00 -1.81 0.00 0.00 57.70 56.69 1yju n MET 13 Cb 0.00 -2.56 0.00 0.00 -0.71 0.00 0.00 33.22 29.95 1yju n MET 13 CO 0.00 0.00 0.00 -2.37 1.51 0.00 0.00 175.97 175.11 1yju n THR 14 N -0.05 0.00 -3.58 2.03 5.66 -1.26 -5.10 114.28 111.98 1yju n THR 14 Ca 0.05 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.97 1yju n THR 14 Cb 0.40 0.35 -0.04 0.00 -1.55 0.00 0.00 70.33 69.49 1yju n THR 14 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1yju n ALA 16 N 0.50 0.76 -0.07 0.00 0.00 -1.26 -1.50 120.51 118.94 1yju n ALA 16 Ca -0.07 1.01 -0.04 0.00 0.00 0.00 0.00 53.44 54.34 1yju n ALA 16 Cb 0.59 -0.88 -0.03 0.00 0.00 0.00 0.00 19.45 19.13 1yju n ALA 16 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1yju h SER 17 N 0.00 -0.61 -0.69 0.00 4.64 -1.99 0.11 113.55 115.03 1yju h SER 17 Ca 0.71 0.08 0.15 0.00 -0.47 0.00 0.00 61.79 62.26 1yju h SER 17 Cb 1.72 0.25 -0.12 0.00 -0.31 0.00 0.00 62.40 63.94 1yju h SER 17 CO -0.82 -0.11 -0.04 0.00 -0.87 0.00 0.00 176.83 174.99 1yju h VAL 19 N 0.08 0.00 0.00 0.00 2.07 -0.90 -1.81 116.25 115.70 1yju h VAL 19 Ca 0.36 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.80 1yju h VAL 19 Cb 0.60 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.36 1yju h VAL 19 CO -0.62 0.00 -0.36 1.12 0.02 0.00 0.00 177.57 177.72 1yju h HIS 20 N -0.27 0.00 -0.39 1.57 2.07 -0.61 -2.31 115.15 115.21 1yju h HIS 20 Ca -0.01 0.00 0.07 0.00 -2.85 0.00 0.00 60.37 57.58 1yju h HIS 20 Cb 0.24 0.00 -0.07 0.00 2.57 0.00 0.00 27.41 30.16 1yju h HIS 20 CO -0.21 0.36 -0.02 -0.22 -3.07 0.00 0.00 177.93 174.77 1yju h LYS 21 N 0.00 0.08 0.22 5.12 3.64 -0.65 0.17 116.57 125.16 1yju h LYS 21 Ca -0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1yju h LYS 21 Cb 0.79 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.58 1yju h LYS 21 CO 0.05 0.05 -0.25 0.82 -2.27 0.00 0.00 179.45 177.85 1yju h ILE 22 N 0.08 0.00 -0.24 2.00 2.04 -0.75 -0.55 117.51 120.10 1yju h ILE 22 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.09 1yju h ILE 22 Cb 0.28 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.29 1yju h ILE 22 CO -0.34 0.00 -0.47 -0.33 0.00 0.00 0.00 178.15 177.02 1yju h GLU 23 N -0.48 -0.39 -0.73 2.37 5.08 -1.36 0.74 114.58 119.81 1yju h GLU 23 Ca -0.03 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 1yju h GLU 23 Cb 0.42 0.09 -0.11 0.00 0.50 0.00 0.00 28.75 29.65 1yju h GLU 23 CO -0.04 -0.26 0.16 1.03 -1.00 0.00 0.00 179.01 178.89 1yju h SER 24 N -0.41 -0.03 0.37 1.42 0.87 -0.73 -2.37 113.55 112.67 1yju h SER 24 Ca 0.04 0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 1yju h SER 24 Cb 0.54 0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 1yju h SER 24 CO -0.44 -0.06 -0.18 -1.28 -0.53 0.00 0.00 176.83 174.35 1yju h SER 25 N 0.25 -0.42 -0.43 6.23 0.87 0.56 -3.34 113.55 117.26 1yju h SER 25 Ca 0.41 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1yju h SER 25 Cb 0.71 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1yju h SER 25 CO -0.53 -0.28 0.22 -0.07 -0.53 0.00 0.00 176.83 175.65 1yju h LEU 26 N -0.54 0.58 -1.84 2.23 3.38 -0.56 0.63 115.31 119.18 1yju h LEU 26 Ca -0.05 -0.05 0.37 0.00 0.09 0.00 0.00 57.88 58.24 1yju h LEU 26 Cb 0.38 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 40.92 1yju h LEU 26 CO 0.08 0.50 0.90 0.74 0.09 0.00 0.00 178.44 180.75 1yju h THR 27 N 0.65 0.35 -0.98 0.22 2.02 -1.56 0.10 112.91 113.71 1yju h THR 27 Ca 0.16 -0.02 0.25 0.00 0.77 0.00 0.00 66.41 67.57 1yju h THR 27 Cb 0.08 0.27 -0.07 0.00 -1.74 0.00 0.00 68.15 66.69 1yju h THR 27 CO -0.02 0.01 0.66 0.07 0.37 0.00 0.00 175.52 176.61 1yju h LYS 28 N 0.07 0.29 -0.81 6.66 2.10 -0.99 0.11 116.57 123.99 1yju h LYS 28 Ca 0.64 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 59.27 1yju h LYS 28 Cb 2.37 -0.06 -0.04 0.00 -0.90 0.00 0.00 32.23 33.60 1yju h LYS 28 CO -0.09 0.19 0.48 0.45 -2.00 0.00 0.00 179.45 178.47 1yju h HIS 29 N 0.30 1.08 0.00 0.07 3.86 -0.98 -3.47 115.15 116.01 1yju h HIS 29 Ca 0.52 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 59.72 1yju h HIS 29 Cb 1.49 -0.35 0.00 0.00 1.06 0.00 0.00 27.41 29.61 1yju h HIS 29 CO -0.00 0.73 0.00 2.89 0.86 0.00 0.00 177.93 182.41 1yju n ARG 30 N -4.45 0.00 0.08 2.45 1.85 0.02 -4.85 116.66 111.77 1yju n ARG 30 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 57.85 56.82 1yju n ARG 30 Cb 0.07 -2.82 -0.13 0.00 -1.05 0.00 0.00 32.46 28.53 1yju n ARG 30 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1yju h GLY 31 N 0.00 0.12 -6.97 2.89 0.00 -1.83 -3.41 103.07 93.87 1yju h GLY 31 Ca 0.00 -0.31 -0.55 0.00 0.00 0.00 0.00 47.33 46.47 1yju h GLY 31 CO 0.00 0.27 1.00 -0.42 0.00 0.00 0.00 176.54 177.40 1yju s ILE 32 N -2.69 3.97 0.09 2.60 1.09 -1.26 -3.86 121.20 121.15 1yju s ILE 32 Ca -0.01 0.87 -0.01 0.00 -1.10 0.00 0.00 60.65 60.40 1yju s ILE 32 Cb 0.09 -4.65 -0.26 0.00 -1.06 0.00 0.00 42.46 36.58 1yju s ILE 32 CO 0.84 -1.28 1.19 -0.07 -0.10 0.00 0.00 174.94 175.52 1yju h LEU 33 N 12.14 0.28 -7.73 2.97 3.38 -0.79 -3.44 115.31 122.14 1yju h LEU 33 Ca -0.25 -0.30 -0.10 0.00 0.09 0.00 0.00 57.88 57.31 1yju h LEU 33 Cb 1.06 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 1yju h LEU 33 CO 1.18 1.23 -0.36 -0.47 0.09 0.00 0.00 178.44 180.12 1yju s TYR 34 N -2.68 0.06 -0.14 1.13 5.04 -0.23 -4.98 117.35 115.54 1yju s TYR 34 Ca -0.02 -0.33 -0.10 0.00 -2.44 0.00 0.00 57.07 54.18 1yju s TYR 34 Cb 0.08 -0.02 0.05 0.00 0.35 0.00 0.00 41.96 42.42 1yju s TYR 34 CO 0.86 -0.48 0.36 0.00 -1.34 0.00 0.00 175.55 174.95 1yju s SER 36 N 0.80 1.00 -0.31 0.00 0.01 0.43 -4.99 113.70 110.64 1yju s SER 36 Ca -0.05 0.13 -0.05 0.00 1.31 0.00 0.00 55.95 57.29 1yju s SER 36 Cb -0.06 0.33 0.03 0.00 0.21 0.00 0.00 66.02 66.54 1yju s SER 36 CO -0.06 -0.28 0.06 0.54 0.41 0.00 0.00 173.24 173.91 1yju s VAL 37 N 2.31 3.53 -0.37 3.43 0.11 -1.26 -1.09 120.40 127.06 1yju s VAL 37 Ca 0.04 -1.10 -0.04 0.00 -2.93 0.00 0.00 61.98 57.95 1yju s VAL 37 Cb -0.13 -2.95 0.08 0.00 -1.53 0.00 0.00 36.38 31.85 1yju s VAL 37 CO -0.08 -0.07 0.14 0.00 -3.33 0.00 0.00 175.10 171.76 1yju s ALA 38 N 1.38 3.07 0.40 1.54 0.00 0.43 -4.90 121.76 123.67 1yju s ALA 38 Ca -0.02 -2.20 0.23 0.00 0.00 0.00 0.00 51.96 49.97 1yju s ALA 38 Cb -0.19 -2.30 1.24 0.00 0.00 0.00 0.00 23.12 21.88 1yju s ALA 38 CO 0.01 -1.59 1.68 -0.07 0.00 0.00 0.00 175.76 175.79 1yju h LEU 39 N 8.09 0.37 -1.93 0.00 3.38 -1.93 0.33 115.31 123.63 1yju h LEU 39 Ca -0.17 0.13 0.25 0.00 0.09 0.00 0.00 57.88 58.18 1yju h LEU 39 Cb 1.06 0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 1yju h LEU 39 CO 0.65 -0.09 0.64 0.00 0.09 0.00 0.00 178.44 179.73 1yju h ALA 40 N 1.67 2.76 0.00 1.53 0.00 -1.95 0.02 119.26 123.30 1yju h ALA 40 Ca 0.73 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.62 1yju h ALA 40 Cb 2.02 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.86 1yju h ALA 40 CO -0.43 -1.02 -0.15 -2.37 0.00 0.00 0.00 179.25 175.28 1yju n THR 41 N -4.31 1.00 -3.47 0.00 5.66 -0.24 -5.01 114.28 107.91 1yju n THR 41 Ca 0.19 -1.17 -0.20 0.00 -3.05 0.00 0.00 64.05 59.82 1yju n THR 41 Cb 0.93 0.22 -0.05 0.00 -1.55 0.00 0.00 70.33 69.88 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 -0.72 0.14 -4.02 1.09 4.13 -0.01 -4.91 115.26 110.96 1yju n ASN 42 Ca 0.07 -0.73 -0.16 0.00 1.68 0.00 0.00 54.58 55.44 1yju n ASN 42 Cb 0.58 -0.92 -0.13 0.00 -1.54 0.00 0.00 39.78 37.77 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 -5.29 0.57 -0.50 3.52 2.36 -0.91 -0.51 119.74 118.97 1yju s LYS 43 Ca 0.12 -0.45 -0.09 0.00 -2.55 0.00 0.00 55.97 53.01 1yju s LYS 43 Cb -0.07 -0.49 0.13 0.00 -1.05 0.00 0.00 37.83 36.35 1yju s LYS 43 CO 0.58 0.12 0.37 0.00 1.55 0.00 0.00 175.35 177.98 1yju s ALA 44 N -0.59 3.44 -0.62 3.13 0.00 0.21 -0.43 121.76 126.90 1yju s ALA 44 Ca -0.01 -2.66 -0.28 0.00 0.00 0.00 0.00 51.96 49.01 1yju s ALA 44 Cb -0.05 -2.83 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1yju s ALA 44 CO 0.00 -1.94 1.27 -1.58 0.00 0.00 0.00 175.76 173.51 1yju s HIS 45 N 1.14 2.44 -0.14 0.00 2.46 -0.25 -2.62 115.29 118.33 1yju s HIS 45 Ca 0.08 0.30 -0.06 0.00 0.47 0.00 0.00 55.06 55.84 1yju s HIS 45 Cb -0.24 -4.52 -0.04 0.00 -0.13 0.00 0.00 32.58 27.64 1yju s HIS 45 CO -0.02 -1.81 0.09 0.42 -2.47 0.00 0.00 174.74 170.95 1yju s ILE 46 N 5.46 5.09 -0.30 0.89 1.01 0.34 -0.43 121.20 133.25 1yju s ILE 46 Ca 0.43 0.06 -0.07 0.00 0.00 0.00 0.00 60.65 61.06 1yju s ILE 46 Cb -0.08 -3.23 0.01 0.00 0.01 0.00 0.00 42.46 39.17 1yju s ILE 46 CO 0.22 0.56 0.10 -0.54 0.00 0.00 0.00 174.94 175.28 1yju s LYS 47 N -0.53 3.10 0.39 2.79 1.02 0.35 -0.18 119.74 126.67 1yju s LYS 47 Ca 0.11 -0.86 0.04 0.00 0.02 0.00 0.00 55.97 55.28 1yju s LYS 47 Cb -0.12 -3.43 -0.03 0.00 -0.52 0.00 0.00 37.83 33.73 1yju s LYS 47 CO 0.02 -0.46 0.10 1.52 -0.92 0.00 0.00 175.35 175.61 1yju s TYR 48 N 1.52 1.82 -0.05 3.18 1.13 -1.23 -0.16 117.35 123.56 1yju s TYR 48 Ca 0.03 -1.18 0.03 0.00 -1.41 0.00 0.00 57.07 54.53 1yju s TYR 48 Cb -0.17 -1.20 0.01 0.00 -1.10 0.00 0.00 41.96 39.49 1yju s TYR 48 CO 0.03 -0.20 -0.12 -0.51 -2.51 0.00 0.00 175.55 172.25 1yju s ASP 49 N -3.58 1.66 -1.21 -0.18 1.01 -1.25 -3.28 116.67 109.84 1yju s ASP 49 Ca 0.27 -0.27 -0.07 0.00 0.71 0.00 0.00 52.55 53.18 1yju s ASP 49 Cb 0.04 -0.64 -0.07 0.00 1.01 0.00 0.00 42.92 43.26 1yju s ASP 49 CO 0.14 0.06 2.48 -0.81 0.21 0.00 0.00 175.17 177.25 1yju n PRO 50 N 3.59 2.76 0.09 8.23 -0.04 -1.26 -2.17 135.00 146.21 1yju n PRO 50 Ca -0.21 -1.76 0.00 0.00 -0.04 0.00 0.00 63.50 61.49 1yju n PRO 50 Cb 0.52 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.39 1yju n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1yju n GLU 51 N 3.92 0.00 0.05 0.54 -0.58 -1.26 -4.91 120.64 118.40 1yju n GLU 51 Ca 0.59 0.00 0.01 0.00 -0.42 0.00 0.00 57.16 57.34 1yju n GLU 51 Cb 0.18 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.99 1yju n GLU 51 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1yju h ILE 52 N 0.00 0.54 -2.72 -3.67 3.07 -1.79 -3.47 117.51 109.47 1yju h ILE 52 Ca 0.00 -1.99 -0.07 0.00 1.55 0.00 0.00 64.86 64.35 1yju h ILE 52 Cb 0.00 2.07 -0.17 0.00 -0.27 0.00 0.00 36.82 38.45 1yju h ILE 52 CO 0.00 0.31 -0.00 -0.51 -1.05 0.00 0.00 178.15 176.89 1yju s ILE 53 N -2.95 0.03 0.51 0.16 2.07 -1.14 -4.69 121.20 115.19 1yju s ILE 53 Ca -0.02 -0.27 -0.02 0.00 -1.41 0.00 0.00 60.65 58.93 1yju s ILE 53 Cb 0.09 -0.93 0.00 0.00 0.13 0.00 0.00 42.46 41.75 1yju s ILE 53 CO 0.80 -0.15 0.77 -0.83 -1.91 0.00 0.00 174.94 173.62 1yju s GLY 54 N -1.76 1.59 0.05 1.50 0.00 -1.26 -3.99 107.32 103.45 1yju s GLY 54 Ca -0.07 -0.92 -0.19 0.00 0.00 0.00 0.00 44.72 43.54 1yju s GLY 54 CO 0.01 -0.70 1.32 -0.56 0.00 0.00 0.00 173.10 173.18 1yju h PRO 55 N 0.15 0.44 -0.82 2.90 0.13 -1.99 -3.13 132.00 129.68 1yju h PRO 55 Ca -0.46 -0.26 0.11 0.00 -0.87 0.00 0.00 66.00 64.52 1yju h PRO 55 Cb 1.26 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.33 1yju h PRO 55 CO 0.58 0.85 0.45 0.00 -0.23 0.00 0.00 178.00 179.65 1yju h ARG 56 N 0.07 0.70 -0.26 0.86 3.08 -1.98 -0.38 114.38 116.45 1yju h ARG 56 Ca 0.02 -0.04 0.06 0.00 0.07 0.00 0.00 59.98 60.08 1yju h ARG 56 Cb 0.80 -0.16 -0.08 0.00 0.08 0.00 0.00 29.97 30.62 1yju h ARG 56 CO 0.05 0.46 -0.39 -0.44 -1.07 0.00 0.00 179.97 178.58 1yju h ASP 57 N 0.72 -1.27 -0.07 7.04 5.19 -1.97 0.16 116.42 126.23 1yju h ASP 57 Ca 0.41 0.19 0.01 0.00 -0.62 0.00 0.00 57.03 57.02 1yju h ASP 57 Cb 0.45 0.54 -0.01 0.00 0.18 0.00 0.00 39.33 40.50 1yju h ASP 57 CO -0.29 -0.38 0.01 0.40 -3.12 0.00 0.00 179.24 175.86 1yju h ILE 58 N -0.39 0.97 -0.13 0.35 2.04 -1.20 -0.99 117.51 118.16 1yju h ILE 58 Ca 0.11 -0.01 0.04 0.00 1.00 0.00 0.00 64.86 66.01 1yju h ILE 58 Cb 0.59 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 37.54 1yju h ILE 58 CO -0.47 0.01 -0.19 0.40 0.00 0.00 0.00 178.15 177.89 1yju h ILE 59 N 0.04 0.51 -0.38 -0.67 2.04 -0.60 0.76 117.51 119.21 1yju h ILE 59 Ca 0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.97 1yju h ILE 59 Cb 0.03 0.51 -0.08 0.00 -0.74 0.00 0.00 36.82 36.53 1yju h ILE 59 CO -0.04 0.00 -0.17 0.45 0.00 0.00 0.00 178.15 178.39 1yju h HIS 60 N -0.25 -0.41 0.19 1.37 3.86 -0.42 0.88 115.15 120.37 1yju h HIS 60 Ca 0.10 0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.35 1yju h HIS 60 Cb 0.39 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 29.08 1yju h HIS 60 CO -0.30 -0.25 -0.19 1.15 0.86 0.00 0.00 177.93 179.20 1yju h THR 61 N -0.10 0.58 0.38 2.45 2.02 -0.19 0.36 112.91 118.42 1yju h THR 61 Ca 0.19 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.36 1yju h THR 61 Cb 0.39 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.35 1yju h THR 61 CO -0.45 0.00 -0.52 0.40 0.37 0.00 0.00 175.52 175.33 1yju h ILE 62 N -0.41 0.01 -0.03 3.11 2.04 -0.36 0.00 117.51 121.87 1yju h ILE 62 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.87 1yju h ILE 62 Cb 0.39 0.01 -0.01 0.00 -0.74 0.00 0.00 36.82 36.46 1yju h ILE 62 CO -0.05 0.00 -0.04 -0.33 0.00 0.00 0.00 178.15 177.73 1yju h GLU 63 N -0.93 -0.06 -0.74 2.37 5.08 -0.77 -2.23 114.58 117.30 1yju h GLU 63 Ca -0.04 0.00 0.16 0.00 -1.00 0.00 0.00 59.36 58.48 1yju h GLU 63 Cb 0.84 0.01 -0.11 0.00 0.50 0.00 0.00 28.75 29.99 1yju h GLU 63 CO -0.14 -0.04 0.14 1.03 -1.00 0.00 0.00 179.01 179.01 1yju h SER 64 N -0.06 -0.06 0.31 1.42 0.87 -0.76 0.13 113.55 115.40 1yju h SER 64 Ca 0.03 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 1yju h SER 64 Cb 0.10 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.26 1yju h SER 64 CO -0.07 -0.07 -0.35 -0.07 -0.53 0.00 0.00 176.83 175.74 1yju h LEU 65 N 0.23 -0.97 -0.09 2.23 3.38 -0.36 -3.43 115.31 116.30 1yju h LEU 65 Ca 0.41 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1yju h LEU 65 Cb 0.72 0.34 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1yju h LEU 65 CO -0.54 -0.48 0.00 0.61 0.09 0.00 0.00 178.44 178.12 1yju n GLY 66 N -1.46 0.92 3.29 0.83 0.00 -1.00 -5.13 105.19 102.65 1yju n GLY 66 Ca -0.09 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.75 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 1.59 0.26 1.61 0.08 -0.00 -4.72 117.98 116.79 1yju s PHE 67 Ca 0.00 -1.51 0.12 0.00 0.12 0.00 0.00 56.93 55.65 1yju s PHE 67 Cb 0.00 -0.74 -0.05 0.00 -0.57 0.00 0.00 43.02 41.66 1yju s PHE 67 CO 0.00 -0.71 -0.21 -1.21 -0.10 0.00 0.00 175.22 172.99 1yju s GLU 68 N -3.71 1.63 0.30 0.44 2.02 -0.04 -4.33 118.70 115.02 1yju s GLU 68 Ca 0.38 -1.70 0.03 0.00 0.02 0.00 0.00 54.97 53.69 1yju s GLU 68 Cb 0.04 -1.78 -0.05 0.00 0.10 0.00 0.00 34.13 32.44 1yju s GLU 68 CO 0.21 0.35 0.11 0.00 0.02 0.00 0.00 175.26 175.94 1yju s ALA 69 N -2.30 2.06 -0.28 5.21 0.00 -1.26 -0.85 121.76 124.34 1yju s ALA 69 Ca 0.27 -1.81 -0.03 0.00 0.00 0.00 0.00 51.96 50.40 1yju s ALA 69 Cb -0.06 0.95 0.17 0.00 0.00 0.00 0.00 23.12 24.18 1yju s ALA 69 CO 0.13 -0.42 0.54 0.45 0.00 0.00 0.00 175.76 176.46 1yju s SER 70 N -3.40 -0.92 -1.00 0.00 0.15 0.10 -4.94 113.70 103.68 1yju s SER 70 Ca 0.35 0.80 -0.25 0.00 0.70 0.00 0.00 55.95 57.55 1yju s SER 70 Cb 0.07 1.90 -0.15 0.00 -1.71 0.00 0.00 66.02 66.12 1yju s SER 70 CO 0.15 -0.26 2.14 -1.48 1.20 0.00 0.00 173.24 174.98 1yju s LEU 71 N 2.78 2.74 0.64 3.45 2.34 -1.26 -0.26 118.68 129.11 1yju s LEU 71 Ca 0.15 -0.79 0.42 0.00 0.06 0.00 0.00 54.13 53.97 1yju s LEU 71 Cb -0.15 -2.58 2.23 0.00 -0.56 0.00 0.00 46.19 45.14 1yju s LEU 71 CO -0.19 -3.92 2.31 -0.37 -1.06 0.00 0.00 176.35 173.12 1yju h VAL 72 N 6.95 0.07 0.00 1.48 -1.51 -1.92 -3.43 116.25 117.88 1yju h VAL 72 Ca 0.06 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 1yju h VAL 72 Cb 0.99 1.07 0.00 0.00 -2.13 0.00 0.00 31.29 31.22 1yju h VAL 72 CO 1.08 0.00 0.00 1.17 -1.23 0.00 0.00 177.57 178.59 1yju n LYS 73 N -3.17 0.00 -2.16 5.19 0.00 -1.26 -4.97 118.16 111.79 1yju n LYS 73 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 58.31 58.28 1yju n LYS 73 Cb 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 35.03 35.13 1yju n LYS 73 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.40 177.84 1yju n ILE 74 N 0.00 -0.02 -1.06 3.15 -5.35 -1.26 -5.02 119.36 109.80 1yju n ILE 74 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 1yju n ILE 74 Cb 0.00 -0.06 0.00 0.00 -1.74 0.00 0.00 39.64 37.84 1yju n ILE 74 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00