#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 -0.53 0.07 3.03 0.00 -1.26 -4.91 105.19 101.60 1yju n GLY 2 Ca 0.00 0.19 -0.11 0.00 0.00 0.00 0.00 46.02 46.09 1yju n GLY 2 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1yju h ASP 3 N -1.96 -0.03 0.00 1.61 5.19 -2.03 -3.48 116.42 115.72 1yju h ASP 3 Ca -0.55 -0.70 0.00 0.00 -0.62 0.00 0.00 57.03 55.16 1yju h ASP 3 Cb 1.36 0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.88 1yju h ASP 3 CO 0.58 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 178.09 1yju n GLY 4 N 1.34 1.63 3.85 2.75 0.00 -0.87 -4.42 105.19 109.46 1yju n GLY 4 Ca -0.08 0.42 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 4.76 -0.44 1.61 -7.23 -1.26 -0.97 120.40 116.87 1yju s VAL 5 Ca 0.00 0.87 0.05 0.00 -1.81 0.00 0.00 61.98 61.09 1yju s VAL 5 Cb 0.00 -3.70 0.17 0.00 0.56 0.00 0.00 36.38 33.42 1yju s VAL 5 CO 0.00 0.03 0.51 -0.22 -0.31 0.00 0.00 175.10 175.12 1yju s LEU 6 N -2.47 -0.19 -0.70 1.32 2.96 0.92 -4.94 118.68 115.58 1yju s LEU 6 Ca 0.46 -2.09 -0.27 0.00 -0.22 0.00 0.00 54.13 52.01 1yju s LEU 6 Cb -0.13 0.83 0.02 0.00 0.50 0.00 0.00 46.19 47.41 1yju s LEU 6 CO 0.19 -0.14 1.39 -1.61 -1.32 0.00 0.00 176.35 174.86 1yju s GLU 7 N 0.78 3.12 -0.29 1.98 8.01 -1.25 -0.99 118.70 130.05 1yju s GLU 7 Ca 0.27 -0.01 -0.22 0.00 0.01 0.00 0.00 54.97 55.02 1yju s GLU 7 Cb -0.02 -4.20 -0.01 0.00 -4.31 0.00 0.00 34.13 25.59 1yju s GLU 7 CO -0.09 -2.21 0.73 -0.51 0.01 0.00 0.00 175.26 173.18 1yju s LEU 8 N 6.31 4.09 -0.19 1.80 1.43 -0.01 -1.24 118.68 130.88 1yju s LEU 8 Ca 0.42 0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 53.91 1yju s LEU 8 Cb -0.09 -2.99 -0.01 0.00 0.03 0.00 0.00 46.19 43.13 1yju s LEU 8 CO 0.17 -0.52 1.25 0.54 0.23 0.00 0.00 176.35 178.02 1yju s VAL 9 N 2.77 4.30 -0.74 -1.59 0.11 0.75 -0.33 120.40 125.68 1yju s VAL 9 Ca 0.30 1.57 -0.15 0.00 -2.93 0.00 0.00 61.98 60.77 1yju s VAL 9 Cb -0.15 -4.05 0.19 0.00 -1.53 0.00 0.00 36.38 30.85 1yju s VAL 9 CO 0.11 -0.18 0.70 0.68 -3.33 0.00 0.00 175.10 173.08 1yju s VAL 10 N 3.57 5.46 -0.40 2.04 -7.23 0.55 -1.19 120.40 123.20 1yju s VAL 10 Ca 0.54 -2.14 -0.29 0.00 -1.81 0.00 0.00 61.98 58.28 1yju s VAL 10 Cb -0.20 -4.44 0.02 0.00 0.56 0.00 0.00 36.38 32.32 1yju s VAL 10 CO 0.15 -0.99 1.20 -0.13 -0.31 0.00 0.00 175.10 175.01 1yju s ARG 11 N 0.69 3.81 0.00 4.82 0.52 0.10 -4.44 118.95 124.45 1yju s ARG 11 Ca 0.14 0.86 0.00 0.00 -0.52 0.00 0.00 55.73 56.20 1yju s ARG 11 Cb -0.16 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.43 1yju s ARG 11 CO -0.05 -1.26 0.00 0.41 0.02 0.00 0.00 175.30 174.42 1yju n GLY 12 N 4.57 0.48 1.28 -3.53 0.00 -1.26 -1.36 105.19 105.37 1yju n GLY 12 Ca 0.13 -1.17 0.17 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.71 0.00 1.61 2.81 -1.26 -5.04 117.12 112.53 1yju n MET 13 Ca 0.00 1.94 0.00 0.00 -1.81 0.00 0.00 57.70 57.83 1yju n MET 13 Cb 0.00 -3.26 0.00 0.00 -0.71 0.00 0.00 33.22 29.25 1yju n MET 13 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 1yju n THR 14 N -4.02 0.00 -3.65 2.03 -2.24 -1.26 -5.11 114.28 100.03 1yju n THR 14 Ca -0.02 0.00 -0.02 0.00 -2.27 0.00 0.00 64.05 61.74 1yju n THR 14 Cb 0.59 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.76 1yju n THR 14 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yju n ALA 16 N 3.31 0.00 -0.58 0.00 0.00 -1.26 -4.47 120.51 117.51 1yju n ALA 16 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1yju n ALA 16 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.02 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 -2.47 0.00 -0.32 0.00 3.41 -1.26 -0.39 113.62 112.59 1yju n SER 17 Ca 0.00 0.00 0.19 0.00 -0.26 0.00 0.00 58.87 58.80 1yju n SER 17 Cb 0.00 0.00 0.40 0.00 -0.26 0.00 0.00 64.21 64.35 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 -5.10 0.00 0.23 0.00 0.31 0.48 -1.06 118.33 113.19 1yju n VAL 19 Ca 0.27 1.39 0.09 0.00 -0.01 0.00 0.00 64.34 66.09 1yju n VAL 19 Cb 0.85 -2.24 0.56 0.00 -0.91 0.00 0.00 33.84 32.10 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 0.17 3.52 2.07 -1.75 -0.68 115.15 118.48 1yju h HIS 20 Ca 0.00 0.00 0.02 0.00 -2.85 0.00 0.00 60.37 57.54 1yju h HIS 20 Cb 0.00 0.00 -0.04 0.00 2.57 0.00 0.00 27.41 29.94 1yju h HIS 20 CO -0.09 0.21 -0.41 -0.22 -3.07 0.00 0.00 177.93 174.34 1yju h LYS 21 N 0.00 -0.66 0.68 5.12 3.64 -0.62 0.21 116.57 124.94 1yju h LYS 21 Ca -0.00 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.40 1yju h LYS 21 Cb 0.53 0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 1yju h LYS 21 CO 0.03 -0.44 -0.50 0.82 -2.27 0.00 0.00 179.45 177.09 1yju h ILE 22 N -0.68 0.00 0.22 2.00 2.04 0.02 0.31 117.51 121.41 1yju h ILE 22 Ca 0.01 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.88 1yju h ILE 22 Cb 0.69 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1yju h ILE 22 CO -0.21 0.00 -0.39 -0.33 0.00 0.00 0.00 178.15 177.22 1yju h GLU 23 N -1.13 -0.66 -0.36 2.37 5.08 -1.06 0.10 114.58 118.93 1yju h GLU 23 Ca -0.09 0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1yju h GLU 23 Cb 0.93 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 30.29 1yju h GLU 23 CO 0.04 -0.44 0.13 1.03 -1.00 0.00 0.00 179.01 178.77 1yju h SER 24 N -0.68 0.14 0.49 1.42 0.87 -0.65 -2.15 113.55 112.99 1yju h SER 24 Ca 0.00 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.58 1yju h SER 24 Cb 0.67 0.02 0.00 0.00 -0.44 0.00 0.00 62.40 62.66 1yju h SER 24 CO -0.17 0.12 -0.23 -1.28 -0.53 0.00 0.00 176.83 174.74 1yju h SER 25 N 0.28 -0.55 0.36 6.23 0.87 -0.19 -3.25 113.55 117.29 1yju h SER 25 Ca 0.16 0.02 -0.07 0.00 -1.23 0.00 0.00 61.79 60.67 1yju h SER 25 Cb 0.13 0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.23 1yju h SER 25 CO -0.16 -0.40 -0.32 -0.07 -0.53 0.00 0.00 176.83 175.35 1yju h LEU 26 N -0.65 0.00 -2.36 2.23 -0.00 -0.81 0.45 115.31 114.16 1yju h LEU 26 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.82 1yju h LEU 26 Cb 0.50 0.00 -0.00 0.00 -0.00 0.00 0.00 40.66 41.16 1yju h LEU 26 CO 0.11 0.32 0.21 0.74 -0.00 0.00 0.00 178.44 179.82 1yju h THR 27 N 0.00 0.03 -0.06 0.22 2.02 -1.42 0.11 112.91 113.80 1yju h THR 27 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.17 1yju h THR 27 Cb 0.58 0.79 -0.00 0.00 -1.74 0.00 0.00 68.15 67.78 1yju h THR 27 CO 0.04 0.00 0.03 0.07 0.37 0.00 0.00 175.52 176.03 1yju h LYS 28 N 0.00 0.08 -6.27 6.66 5.09 -0.94 -3.40 116.57 117.79 1yju h LYS 28 Ca 0.01 -0.01 -0.56 0.00 0.09 0.00 0.00 60.65 60.18 1yju h LYS 28 Cb 0.43 -0.02 -0.03 0.00 0.10 0.00 0.00 32.23 32.72 1yju h LYS 28 CO -0.00 0.07 1.10 -1.01 -2.09 0.00 0.00 179.45 177.52 1yju s HIS 29 N -5.10 2.18 0.00 0.07 3.76 0.38 -4.87 115.29 111.70 1yju s HIS 29 Ca -0.05 0.55 0.00 0.00 -0.15 0.00 0.00 55.06 55.41 1yju s HIS 29 Cb 0.17 -3.93 0.00 0.00 1.11 0.00 0.00 32.58 29.93 1yju s HIS 29 CO 0.68 -2.90 0.79 -2.13 -0.85 0.00 0.00 174.74 170.34 1yju n ARG 30 N 7.48 0.63 0.00 1.40 0.00 -1.26 -1.00 116.66 123.91 1yju n ARG 30 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 58.03 1yju n ARG 30 Cb 0.45 -1.19 0.00 0.00 0.00 0.00 0.00 32.46 31.72 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1yju n GLY 31 N 0.95 0.74 3.65 5.14 0.00 -1.26 -4.99 105.19 109.42 1yju n GLY 31 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.59 4.54 -0.04 -0.61 -1.09 -0.17 -3.56 121.20 119.67 1yju s ILE 32 Ca 0.00 1.83 -0.06 0.00 -2.23 0.00 0.00 60.65 60.19 1yju s ILE 32 Cb 0.00 -4.28 -0.29 0.00 -1.58 0.00 0.00 42.46 36.31 1yju s ILE 32 CO 0.00 -0.28 0.71 -0.07 -1.23 0.00 0.00 174.94 174.07 1yju h LEU 33 N 9.77 0.47 -7.47 2.97 3.38 -0.85 -3.48 115.31 120.11 1yju h LEU 33 Ca -0.21 -0.73 -0.03 0.00 0.09 0.00 0.00 57.88 56.99 1yju h LEU 33 Cb 1.07 -0.15 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 1yju h LEU 33 CO 1.00 1.62 0.01 -0.47 0.09 0.00 0.00 178.44 180.69 1yju s TYR 34 N -2.59 -0.21 -0.32 1.13 5.04 -0.16 -4.94 117.35 115.30 1yju s TYR 34 Ca -0.13 -0.10 -0.00 0.00 -2.44 0.00 0.00 57.07 54.39 1yju s TYR 34 Cb 0.06 0.36 0.13 0.00 0.35 0.00 0.00 41.96 42.86 1yju s TYR 34 CO 0.84 -0.82 0.27 0.00 -1.34 0.00 0.00 175.55 174.50 1yju s SER 36 N 1.88 6.20 -0.85 0.00 0.01 0.62 -4.83 113.70 116.73 1yju s SER 36 Ca 0.12 -1.79 -0.19 0.00 1.31 0.00 0.00 55.95 55.40 1yju s SER 36 Cb -0.16 -2.21 0.12 0.00 0.21 0.00 0.00 66.02 63.98 1yju s SER 36 CO -0.21 -0.87 1.06 -0.69 0.41 0.00 0.00 173.24 172.94 1yju s VAL 37 N 1.62 4.69 -1.20 3.43 1.01 -1.26 -0.55 120.40 128.14 1yju s VAL 37 Ca 0.04 -1.34 -0.20 0.00 0.00 0.00 0.00 61.98 60.47 1yju s VAL 37 Cb -0.29 -4.73 0.02 0.00 0.00 0.00 0.00 36.38 31.37 1yju s VAL 37 CO 0.03 -1.46 1.76 0.00 0.00 0.00 0.00 175.10 175.43 1yju s ALA 38 N 2.85 2.73 0.29 5.51 0.00 0.15 -4.77 121.76 128.53 1yju s ALA 38 Ca 0.29 -2.53 0.08 0.00 0.00 0.00 0.00 51.96 49.79 1yju s ALA 38 Cb -0.09 -4.63 0.86 0.00 0.00 0.00 0.00 23.12 19.27 1yju s ALA 38 CO -0.05 -3.94 1.38 -0.11 0.00 0.00 0.00 175.76 173.04 1yju n LEU 39 N 10.37 0.05 -0.22 0.00 -0.00 -1.26 -0.67 117.00 125.27 1yju n LEU 39 Ca 0.45 1.47 0.23 0.00 -0.00 0.00 0.00 56.01 58.17 1yju n LEU 39 Cb 0.47 -0.61 0.60 0.00 -0.00 0.00 0.00 43.42 43.89 1yju n LEU 39 CO 0.72 -1.55 1.24 0.00 -0.00 0.00 0.00 177.39 177.79 1yju h ALA 40 N 1.75 2.48 0.00 1.96 0.00 -1.94 0.42 119.26 123.92 1yju h ALA 40 Ca 0.61 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.52 1yju h ALA 40 Cb 1.43 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.24 1yju h ALA 40 CO -0.77 -0.76 -0.05 0.25 0.00 0.00 0.00 179.25 177.93 1yju n THR 41 N -4.42 1.81 -3.94 0.00 -2.24 0.16 -5.00 114.28 100.65 1yju n THR 41 Ca 0.19 -2.21 -0.31 0.00 -2.27 0.00 0.00 64.05 59.46 1yju n THR 41 Cb 0.82 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 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 -1.36 -1.75 -3.72 3.42 4.13 0.13 -4.84 115.26 111.27 1yju n ASN 42 Ca 0.15 -0.95 -0.17 0.00 1.68 0.00 0.00 54.58 55.29 1yju n ASN 42 Cb 0.65 -1.15 -0.16 0.00 -1.54 0.00 0.00 39.78 37.57 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 -6.63 -0.03 -0.75 3.52 2.36 -0.45 -0.33 119.74 117.42 1yju s LYS 43 Ca 0.24 0.31 -0.26 0.00 -2.55 0.00 0.00 55.97 53.72 1yju s LYS 43 Cb -0.14 -0.34 0.04 0.00 -1.05 0.00 0.00 37.83 36.35 1yju s LYS 43 CO 0.72 -0.24 1.23 0.00 1.55 0.00 0.00 175.35 178.61 1yju s ALA 44 N 1.58 2.83 -0.81 3.13 0.00 0.55 0.29 121.76 129.33 1yju s ALA 44 Ca -0.03 -1.56 -0.26 0.00 0.00 0.00 0.00 51.96 50.11 1yju s ALA 44 Cb -0.12 -4.20 0.02 0.00 0.00 0.00 0.00 23.12 18.81 1yju s ALA 44 CO -0.04 -3.21 1.49 -1.58 0.00 0.00 0.00 175.76 172.42 1yju s HIS 45 N 5.30 2.20 0.23 0.00 2.46 0.29 -0.83 115.29 124.94 1yju s HIS 45 Ca 0.33 -0.05 -0.10 0.00 0.47 0.00 0.00 55.06 55.71 1yju s HIS 45 Cb -0.09 -4.50 -0.07 0.00 -0.13 0.00 0.00 32.58 27.79 1yju s HIS 45 CO 0.12 -2.05 0.56 0.42 -2.47 0.00 0.00 174.74 171.31 1yju s ILE 46 N 6.53 4.92 -0.07 0.89 1.01 -0.17 -0.28 121.20 134.05 1yju s ILE 46 Ca 0.47 0.49 0.05 0.00 0.00 0.00 0.00 60.65 61.66 1yju s ILE 46 Cb -0.06 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.78 1yju s ILE 46 CO 0.08 -0.07 -0.23 -0.54 0.00 0.00 0.00 174.94 174.17 1yju s LYS 47 N -2.82 2.54 0.16 2.79 1.02 0.29 -0.06 119.74 123.67 1yju s LYS 47 Ca 0.48 -0.84 -0.19 0.00 0.02 0.00 0.00 55.97 55.44 1yju s LYS 47 Cb -0.11 -2.09 0.04 0.00 -0.52 0.00 0.00 37.83 35.15 1yju s LYS 47 CO 0.21 0.30 0.51 1.52 -0.92 0.00 0.00 175.35 176.96 1yju s TYR 48 N 0.02 -0.27 -0.09 3.18 1.13 -0.15 -0.13 117.35 121.05 1yju s TYR 48 Ca -0.08 -0.03 -0.07 0.00 -1.41 0.00 0.00 57.07 55.48 1yju s TYR 48 Cb -0.15 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1yju s TYR 48 CO 0.05 -0.83 0.18 0.16 -2.51 0.00 0.00 175.55 172.60 1yju s ASP 49 N -2.82 6.44 0.49 -0.18 -4.77 -1.23 -2.05 116.67 112.54 1yju s ASP 49 Ca 0.05 0.51 0.28 0.00 -3.30 0.00 0.00 52.55 50.09 1yju s ASP 49 Cb -0.00 -2.08 1.13 0.00 -1.09 0.00 0.00 42.92 40.88 1yju s ASP 49 CO -0.09 0.37 1.90 1.55 0.70 0.00 0.00 175.17 179.61 1yju h PRO 50 N 4.76 0.00 0.06 2.11 0.13 -1.77 -3.22 132.00 134.07 1yju h PRO 50 Ca -0.54 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.59 1yju h PRO 50 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 1yju h PRO 50 CO 0.60 0.13 -0.03 0.93 -0.23 0.00 0.00 178.00 179.40 1yju h GLU 51 N 0.00 -0.08 0.00 0.86 4.39 -1.94 -3.30 114.58 114.50 1yju h GLU 51 Ca -0.00 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1yju h GLU 51 Cb 0.63 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.30 1yju h GLU 51 CO 0.02 0.18 -0.90 0.44 -1.16 0.00 0.00 179.01 177.59 1yju n ILE 52 N -5.01 0.03 -3.70 3.13 -5.35 -1.25 -4.85 119.36 102.36 1yju n ILE 52 Ca -0.08 -0.07 -0.11 0.00 -0.27 0.00 0.00 62.75 62.22 1yju n ILE 52 Cb 0.17 0.59 -0.11 0.00 -1.74 0.00 0.00 39.64 38.55 1yju n ILE 52 CO 0.00 0.00 0.00 -0.51 -1.76 0.00 0.00 176.55 174.28 1yju s ILE 53 N -3.06 -0.02 0.58 7.28 2.07 -1.21 -4.80 121.20 122.03 1yju s ILE 53 Ca 0.07 0.09 -0.16 0.00 -1.41 0.00 0.00 60.65 59.24 1yju s ILE 53 Cb 0.16 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 42.13 1yju s ILE 53 CO 0.81 0.04 1.06 -0.83 -1.91 0.00 0.00 174.94 174.11 1yju s GLY 54 N 1.27 2.18 0.20 1.50 0.00 -1.26 -4.12 107.32 107.09 1yju s GLY 54 Ca -0.09 0.43 -0.09 0.00 0.00 0.00 0.00 44.72 44.98 1yju s GLY 54 CO -0.11 0.75 1.73 -0.56 0.00 0.00 0.00 173.10 174.92 1yju h PRO 55 N 0.56 1.11 -0.85 2.90 0.13 -1.92 -2.95 132.00 130.98 1yju h PRO 55 Ca -0.47 -0.24 0.03 0.00 -0.87 0.00 0.00 66.00 64.45 1yju h PRO 55 Cb 1.22 -0.16 -0.05 0.00 0.13 0.00 0.00 31.00 32.15 1yju h PRO 55 CO 0.57 0.95 0.56 -0.09 -0.23 0.00 0.00 178.00 179.77 1yju h ARG 56 N 1.05 1.05 -0.21 0.86 9.65 -1.98 0.13 114.38 124.93 1yju h ARG 56 Ca 0.23 -0.06 0.06 0.00 -1.10 0.00 0.00 59.98 59.10 1yju h ARG 56 Cb 0.31 -0.24 -0.07 0.00 -1.39 0.00 0.00 29.97 28.58 1yju h ARG 56 CO -0.01 0.69 -0.23 -0.44 2.80 0.00 0.00 179.97 182.79 1yju h ASP 57 N 1.08 -0.73 0.17 -3.80 5.19 -1.91 0.23 116.42 116.65 1yju h ASP 57 Ca 0.33 0.13 -0.01 0.00 -0.62 0.00 0.00 57.03 56.86 1yju h ASP 57 Cb -0.01 0.34 0.00 0.00 0.18 0.00 0.00 39.33 39.84 1yju h ASP 57 CO -0.09 -0.27 -0.08 0.40 -3.12 0.00 0.00 179.24 176.08 1yju h ILE 58 N -0.25 0.89 -0.21 0.35 2.04 -1.45 -2.47 117.51 116.40 1yju h ILE 58 Ca 0.13 -0.25 0.06 0.00 1.00 0.00 0.00 64.86 65.80 1yju h ILE 58 Cb 0.44 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.50 1yju h ILE 58 CO -0.36 0.06 -0.21 0.40 0.00 0.00 0.00 178.15 178.04 1yju h ILE 59 N -0.34 0.46 -0.62 -0.67 2.04 -0.35 0.17 117.51 118.19 1yju h ILE 59 Ca -0.02 0.00 0.13 0.00 1.00 0.00 0.00 64.86 65.96 1yju h ILE 59 Cb 0.27 0.46 -0.11 0.00 -0.74 0.00 0.00 36.82 36.70 1yju h ILE 59 CO 0.04 0.00 -0.11 0.45 0.00 0.00 0.00 178.15 178.53 1yju h HIS 60 N -0.22 -0.24 -0.20 1.37 3.86 -0.58 0.15 115.15 119.29 1yju h HIS 60 Ca 0.13 0.05 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 1yju h HIS 60 Cb 0.41 0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.08 1yju h HIS 60 CO -0.35 -0.24 0.08 1.15 0.86 0.00 0.00 177.93 179.43 1yju h THR 61 N 0.03 1.17 0.69 2.45 2.02 -0.58 -0.66 112.91 118.03 1yju h THR 61 Ca 0.31 -0.51 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 1yju h THR 61 Cb 0.49 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.02 1yju h THR 61 CO -0.61 0.16 -0.44 0.40 0.37 0.00 0.00 175.52 175.40 1yju h ILE 62 N 0.17 0.11 -0.25 3.11 2.04 0.16 0.49 117.51 123.34 1yju h ILE 62 Ca 0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.96 1yju h ILE 62 Cb 0.19 0.11 -0.04 0.00 -0.74 0.00 0.00 36.82 36.34 1yju h ILE 62 CO -0.00 0.00 0.02 1.05 0.00 0.00 0.00 178.15 179.22 1yju h GLU 63 N -1.07 0.11 -0.57 2.37 4.11 -0.71 -0.96 114.58 117.86 1yju h GLU 63 Ca -0.09 -0.01 0.11 0.00 0.07 0.00 0.00 59.36 59.45 1yju h GLU 63 Cb 0.87 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.99 1yju h GLU 63 CO 0.08 0.07 -0.16 1.03 0.07 0.00 0.00 179.01 180.10 1yju h SER 64 N 0.11 -0.58 -0.76 3.06 0.87 -1.05 0.11 113.55 115.32 1yju h SER 64 Ca 0.12 0.18 0.04 0.00 -1.23 0.00 0.00 61.79 60.89 1yju h SER 64 Cb 0.13 0.37 -0.05 0.00 -0.44 0.00 0.00 62.40 62.41 1yju h SER 64 CO -0.17 -0.20 0.47 -0.07 -0.53 0.00 0.00 176.83 176.33 1yju h LEU 65 N -0.02 0.76 0.00 2.23 3.38 0.47 -3.43 115.31 118.70 1yju h LEU 65 Ca 0.27 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.25 1yju h LEU 65 Cb 0.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1yju h LEU 65 CO -0.59 0.51 0.00 0.61 0.09 0.00 0.00 178.44 179.06 1yju n GLY 66 N -1.31 0.86 3.33 0.83 0.00 -0.87 -5.10 105.19 102.93 1yju n GLY 66 Ca 0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 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 1.48 -0.06 1.61 0.08 0.33 -4.77 117.98 116.65 1yju s PHE 67 Ca 0.00 -1.52 0.01 0.00 0.12 0.00 0.00 56.93 55.55 1yju s PHE 67 Cb 0.00 -0.52 -0.03 0.00 -0.57 0.00 0.00 43.02 41.90 1yju s PHE 67 CO 0.00 -0.91 -0.07 -2.00 -0.10 0.00 0.00 175.22 172.14 1yju s GLU 68 N -3.45 2.72 -0.13 0.44 -6.30 -0.47 -4.28 118.70 107.23 1yju s GLU 68 Ca 0.38 -0.57 -0.01 0.00 -2.50 0.00 0.00 54.97 52.27 1yju s GLU 68 Cb 0.02 -2.57 0.04 0.00 0.00 0.00 0.00 34.13 31.62 1yju s GLU 68 CO 0.23 0.66 -0.01 0.00 0.02 0.00 0.00 175.26 176.16 1yju s ALA 69 N -0.82 1.05 -0.19 6.30 0.00 -1.26 0.00 121.76 126.84 1yju s ALA 69 Ca 0.13 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 51.60 1yju s ALA 69 Cb -0.11 -0.97 0.03 0.00 0.00 0.00 0.00 23.12 22.07 1yju s ALA 69 CO 0.02 -0.73 -0.14 -1.12 0.00 0.00 0.00 175.76 173.79 1yju s SER 70 N 1.83 3.27 -0.41 0.00 0.01 -0.34 -4.92 113.70 113.14 1yju s SER 70 Ca 0.02 -0.78 -0.28 0.00 1.31 0.00 0.00 55.95 56.22 1yju s SER 70 Cb -0.14 -1.33 -0.29 0.00 0.21 0.00 0.00 66.02 64.46 1yju s SER 70 CO -0.07 -0.09 1.77 0.00 0.41 0.00 0.00 173.24 175.26 1yju n LEU 71 N 4.66 1.85 -0.34 2.44 -0.00 -1.26 -0.18 117.00 124.16 1yju n LEU 71 Ca -0.17 -2.06 0.05 0.00 -0.00 0.00 0.00 56.01 53.83 1yju n LEU 71 Cb 0.48 -0.91 0.20 0.00 -0.00 0.00 0.00 43.42 43.19 1yju n LEU 71 CO 0.22 -1.91 1.21 -0.37 -0.00 0.00 0.00 177.39 176.55 1yju h VAL 72 N 5.23 0.95 -4.39 1.47 -1.51 -1.61 -3.48 116.25 112.92 1yju h VAL 72 Ca 0.25 -0.33 0.01 0.00 -1.23 0.00 0.00 66.70 65.39 1yju h VAL 72 Cb 0.76 -0.10 -0.09 0.00 -2.13 0.00 0.00 31.29 29.73 1yju h VAL 72 CO 1.81 0.18 -1.12 1.17 -1.23 0.00 0.00 177.57 178.38 1yju n LYS 73 N -4.63 -3.51 -3.68 5.19 4.81 -0.37 -4.47 118.16 111.50 1yju n LYS 73 Ca 0.16 2.75 -0.23 0.00 -0.87 0.00 0.00 58.31 60.13 1yju n LYS 73 Cb 0.29 -3.96 0.01 0.00 0.02 0.00 0.00 35.03 31.39 1yju n LYS 73 CO 0.00 0.00 0.00 1.51 1.17 0.00 0.00 177.40 180.08 1yju n ILE 74 N 1.28 -1.64 0.49 3.15 0.13 -1.26 -4.93 119.36 116.58 1yju n ILE 74 Ca -0.27 -0.21 0.06 0.00 -1.10 0.00 0.00 62.75 61.23 1yju n ILE 74 Cb 0.41 -1.42 0.05 0.00 -0.84 0.00 0.00 39.64 37.84 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73