#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 1.17 5.00 3.17 0.00 -1.26 -4.85 105.19 108.42 1yju n GLY 2 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.25 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 2.59 0.00 -1.96 1.61 9.92 -1.26 -4.28 116.55 123.17 1yju n ASP 3 Ca 0.00 0.00 -0.09 0.00 -0.53 0.00 0.00 54.79 54.17 1yju n ASP 3 Cb 0.00 0.00 0.04 0.00 -0.64 0.00 0.00 41.12 40.52 1yju n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1yju n GLY 4 N 0.00 0.20 3.21 0.44 0.00 -1.24 -4.99 105.19 102.81 1yju n GLY 4 Ca 0.00 -0.25 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 -3.15 -0.68 -0.20 1.61 -7.23 -1.26 -4.19 120.40 105.31 1yju s VAL 5 Ca 0.16 0.10 -0.15 0.00 -1.81 0.00 0.00 61.98 60.27 1yju s VAL 5 Cb -0.07 -0.74 0.06 0.00 0.56 0.00 0.00 36.38 36.19 1yju s VAL 5 CO 0.32 0.02 0.50 -0.22 -0.31 0.00 0.00 175.10 175.42 1yju s LEU 6 N 2.63 -0.12 -0.31 1.32 0.20 0.33 -4.91 118.68 117.81 1yju s LEU 6 Ca 0.02 1.05 -0.13 0.00 0.69 0.00 0.00 54.13 55.77 1yju s LEU 6 Cb -0.13 1.71 -0.03 0.00 -0.43 0.00 0.00 46.19 47.31 1yju s LEU 6 CO -0.14 -0.19 0.24 -0.70 -0.29 0.00 0.00 176.35 175.27 1yju s GLU 7 N 0.80 3.70 -0.23 1.98 2.56 -1.26 -1.55 118.70 124.71 1yju s GLU 7 Ca -0.04 -0.45 -0.10 0.00 0.00 0.00 0.00 54.97 54.37 1yju s GLU 7 Cb -0.05 -3.74 -0.05 0.00 2.00 0.00 0.00 34.13 32.28 1yju s GLU 7 CO -0.06 -0.35 0.15 -0.51 -0.56 0.00 0.00 175.26 173.94 1yju s LEU 8 N 1.79 4.14 0.21 2.70 2.01 0.13 -1.43 118.68 128.24 1yju s LEU 8 Ca 0.08 0.15 -0.30 0.00 0.01 0.00 0.00 54.13 54.07 1yju s LEU 8 Cb -0.17 -2.10 -0.08 0.00 0.01 0.00 0.00 46.19 43.85 1yju s LEU 8 CO 0.11 0.10 1.02 0.54 1.01 0.00 0.00 176.35 179.13 1yju s VAL 9 N 0.86 3.95 -0.24 -1.59 0.11 0.52 -0.17 120.40 123.85 1yju s VAL 9 Ca 0.08 1.82 -0.01 0.00 -2.93 0.00 0.00 61.98 60.93 1yju s VAL 9 Cb -0.13 -4.16 0.07 0.00 -1.53 0.00 0.00 36.38 30.63 1yju s VAL 9 CO 0.03 0.38 0.03 -0.69 -3.33 0.00 0.00 175.10 171.51 1yju s VAL 10 N -0.73 0.91 -0.33 2.04 1.01 0.32 -1.00 120.40 122.62 1yju s VAL 10 Ca 0.45 -0.97 -0.11 0.00 0.00 0.00 0.00 61.98 61.35 1yju s VAL 10 Cb -0.28 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.67 1yju s VAL 10 CO 0.35 -0.30 0.20 -0.13 0.00 0.00 0.00 175.10 175.22 1yju s ARG 11 N 1.66 3.37 0.00 2.72 0.52 0.60 -4.34 118.95 123.48 1yju s ARG 11 Ca 0.00 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.50 1yju s ARG 11 Cb -0.18 -3.69 0.00 0.00 0.52 0.00 0.00 34.95 31.60 1yju s ARG 11 CO -0.12 -0.45 0.00 0.41 0.02 0.00 0.00 175.30 175.16 1yju n GLY 12 N 5.04 4.26 3.69 -3.53 0.00 -1.26 -0.87 105.19 112.52 1yju n GLY 12 Ca -0.13 -0.69 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 1yju n GLY 12 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1yju n MET 13 N 0.00 2.15 -0.09 1.61 0.00 -1.26 -4.87 117.12 114.65 1yju n MET 13 Ca 0.00 0.76 0.00 0.00 0.00 0.00 0.00 57.70 58.46 1yju n MET 13 Cb 0.00 -2.39 0.00 0.00 0.00 0.00 0.00 33.22 30.83 1yju n MET 13 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 175.97 173.60 1yju n THR 14 N 1.21 0.00 -3.62 3.17 5.66 -1.26 -4.92 114.28 114.52 1yju n THR 14 Ca 0.08 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 1yju n THR 14 Cb 0.34 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.06 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 1.45 0.07 -0.10 0.00 0.00 -1.26 -0.19 120.51 120.48 1yju n ALA 16 Ca -0.10 0.37 -0.07 0.00 0.00 0.00 0.00 53.44 53.64 1yju n ALA 16 Cb 0.57 -0.22 0.01 0.00 0.00 0.00 0.00 19.45 19.81 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 0.14 -0.01 0.00 4.64 -1.99 0.93 113.55 117.26 1yju h SER 17 Ca 0.16 0.04 -0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1yju h SER 17 Cb 0.24 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 1yju h SER 17 CO -0.35 0.11 -0.02 0.00 -0.87 0.00 0.00 176.83 175.70 1yju h VAL 19 N -0.57 0.00 0.00 0.00 2.07 -0.54 0.60 116.25 117.81 1yju h VAL 19 Ca -0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 1yju h VAL 19 Cb 0.64 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.41 1yju h VAL 19 CO 0.01 0.00 0.00 0.00 0.02 0.00 0.00 177.57 177.60 1yju n HIS 20 N -4.22 0.00 -0.04 1.57 1.44 0.30 -3.12 115.22 111.16 1yju n HIS 20 Ca -0.01 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.57 1yju n HIS 20 Cb 0.17 -0.48 -0.08 0.00 0.12 0.00 0.00 29.99 29.72 1yju n HIS 20 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 1yju h LYS 21 N 0.00 0.23 0.68 -1.40 1.63 -0.92 -1.71 116.57 115.08 1yju h LYS 21 Ca 0.00 -0.13 -0.03 0.00 -0.85 0.00 0.00 60.65 59.64 1yju h LYS 21 Cb 0.23 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.88 1yju h LYS 21 CO 0.00 0.69 -0.36 0.82 -3.45 0.00 0.00 179.45 177.15 1yju h ILE 22 N -0.21 0.26 0.00 2.00 2.04 -1.49 0.77 117.51 120.88 1yju h ILE 22 Ca 0.01 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.87 1yju h ILE 22 Cb 0.67 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1yju h ILE 22 CO 0.03 0.00 0.00 -1.84 0.00 0.00 0.00 178.15 176.34 1yju n GLU 23 N -5.51 0.00 -0.24 2.37 -0.00 -1.24 -0.54 120.64 115.47 1yju n GLU 23 Ca -0.14 0.72 0.05 0.00 -0.00 0.00 0.00 57.16 57.79 1yju n GLU 23 Cb 0.40 -1.48 0.16 0.00 -0.00 0.00 0.00 31.44 30.51 1yju n GLU 23 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1yju h SER 24 N 0.00 -0.22 0.42 -1.84 4.64 -1.31 0.85 113.55 116.10 1yju h SER 24 Ca 0.00 0.17 -0.02 0.00 -0.47 0.00 0.00 61.79 61.47 1yju h SER 24 Cb 0.00 0.28 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1yju h SER 24 CO 0.00 -0.12 -0.21 -1.28 -0.87 0.00 0.00 176.83 174.34 1yju h SER 25 N 0.15 -0.51 -0.57 4.97 0.87 -0.75 -3.20 113.55 114.50 1yju h SER 25 Ca 0.40 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 61.03 1yju h SER 25 Cb 0.69 0.14 -0.03 0.00 -0.44 0.00 0.00 62.40 62.75 1yju h SER 25 CO -0.59 -0.35 0.38 -0.07 -0.53 0.00 0.00 176.83 175.67 1yju h LEU 26 N -0.58 0.50 -2.14 2.23 3.38 -0.22 -1.01 115.31 117.48 1yju h LEU 26 Ca -0.06 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 57.98 1yju h LEU 26 Cb 0.45 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 1yju h LEU 26 CO 0.09 0.33 0.29 0.74 0.09 0.00 0.00 178.44 179.98 1yju h THR 27 N 0.58 0.41 0.00 0.22 2.02 -0.85 0.13 112.91 115.42 1yju h THR 27 Ca 0.24 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.42 1yju h THR 27 Cb 0.23 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 1yju h THR 27 CO -0.07 0.00 0.00 0.07 0.37 0.00 0.00 175.52 175.89 1yju h LYS 28 N 0.00 0.00 -5.79 6.66 5.09 -1.23 -3.40 116.57 117.90 1yju h LYS 28 Ca 0.12 0.00 -0.59 0.00 0.09 0.00 0.00 60.65 60.26 1yju h LYS 28 Cb 0.70 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 32.94 1yju h LYS 28 CO -0.00 0.00 0.48 -1.01 -2.09 0.00 0.00 179.45 176.83 1yju s HIS 29 N -3.66 3.31 -1.92 0.07 3.76 0.46 -4.94 115.29 112.37 1yju s HIS 29 Ca 0.01 1.14 0.14 0.00 -0.15 0.00 0.00 55.06 56.20 1yju s HIS 29 Cb 0.09 -3.06 0.84 0.00 1.11 0.00 0.00 32.58 31.57 1yju s HIS 29 CO 0.49 -0.40 1.30 -2.13 -0.85 0.00 0.00 174.74 173.14 1yju n ARG 30 N 6.02 0.42 0.18 1.40 0.63 -1.26 -2.53 116.66 121.50 1yju n ARG 30 Ca 0.06 0.02 0.10 0.00 -0.92 0.00 0.00 57.85 57.11 1yju n ARG 30 Cb 0.47 -1.50 0.10 0.00 0.45 0.00 0.00 32.46 31.99 1yju n ARG 30 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 1yju h GLY 31 N 2.27 0.00 -4.86 5.14 0.00 -1.91 -3.46 103.07 100.25 1yju h GLY 31 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 1yju h GLY 31 CO 0.00 0.00 -0.11 -1.50 0.00 0.00 0.00 176.54 174.93 1yju s ILE 32 N -3.19 4.89 -0.26 2.60 -1.16 -1.05 -1.12 121.20 121.91 1yju s ILE 32 Ca 0.05 1.05 -0.02 0.00 -0.51 0.00 0.00 60.65 61.22 1yju s ILE 32 Cb 0.06 -3.82 -0.15 0.00 0.61 0.00 0.00 42.46 39.16 1yju s ILE 32 CO 0.71 0.54 -0.26 0.18 -2.81 0.00 0.00 174.94 173.30 1yju n LEU 33 N 1.97 2.70 -3.79 8.50 4.77 0.75 -4.96 117.00 126.94 1yju n LEU 33 Ca -0.11 -0.01 -0.13 0.00 -0.03 0.00 0.00 56.01 55.73 1yju n LEU 33 Cb 0.51 -0.86 -0.09 0.00 -2.33 0.00 0.00 43.42 40.66 1yju n LEU 33 CO 0.40 0.83 -0.03 -0.47 -1.33 0.00 0.00 177.39 176.80 1yju s TYR 34 N -2.50 -0.12 -0.41 -1.77 5.04 -0.20 -4.98 117.35 112.41 1yju s TYR 34 Ca -0.35 0.16 0.06 0.00 -2.44 0.00 0.00 57.07 54.51 1yju s TYR 34 Cb 0.10 0.06 0.22 0.00 0.35 0.00 0.00 41.96 42.69 1yju s TYR 34 CO 0.55 -0.37 0.48 0.00 -1.34 0.00 0.00 175.55 174.88 1yju s SER 36 N -0.65 6.86 -0.13 0.00 0.15 0.43 -4.66 113.70 115.70 1yju s SER 36 Ca 0.34 -2.48 -0.24 0.00 0.70 0.00 0.00 55.95 54.27 1yju s SER 36 Cb 0.12 -2.48 -0.03 0.00 -1.71 0.00 0.00 66.02 61.92 1yju s SER 36 CO -0.15 -1.02 0.74 0.54 1.20 0.00 0.00 173.24 174.55 1yju s VAL 37 N 3.01 4.97 -0.28 4.45 0.11 -1.26 -0.83 120.40 130.57 1yju s VAL 37 Ca 0.45 1.48 0.01 0.00 -2.93 0.00 0.00 61.98 60.99 1yju s VAL 37 Cb -0.01 -4.07 0.08 0.00 -1.53 0.00 0.00 36.38 30.86 1yju s VAL 37 CO -0.00 0.14 0.03 0.00 -3.33 0.00 0.00 175.10 171.94 1yju s ALA 38 N 1.53 1.94 0.53 1.54 0.00 0.14 -4.97 121.76 122.48 1yju s ALA 38 Ca 0.36 -1.68 0.27 0.00 0.00 0.00 0.00 51.96 50.92 1yju s ALA 38 Cb -0.17 -1.60 1.43 0.00 0.00 0.00 0.00 23.12 22.78 1yju s ALA 38 CO 0.15 -1.47 1.96 1.37 0.00 0.00 0.00 175.76 177.77 1yju h LEU 39 N 7.95 0.00 -1.93 0.00 8.10 -1.91 -0.81 115.31 126.70 1yju h LEU 39 Ca -0.13 0.00 0.17 0.00 0.11 0.00 0.00 57.88 58.03 1yju h LEU 39 Cb 1.04 -0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 41.24 1yju h LEU 39 CO 0.45 0.00 0.43 0.00 -4.11 0.00 0.00 178.44 175.22 1yju h ALA 40 N 1.67 2.49 0.00 0.17 0.00 -1.94 0.04 119.26 121.69 1yju h ALA 40 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1yju h ALA 40 Cb 1.24 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1yju h ALA 40 CO -0.00 -0.66 -0.02 -2.37 0.00 0.00 0.00 179.25 176.20 1yju n THR 41 N -4.38 1.23 -3.89 0.00 5.66 -0.42 -5.02 114.28 107.46 1yju n THR 41 Ca 0.12 -1.37 -0.28 0.00 -3.05 0.00 0.00 64.05 59.46 1yju n THR 41 Cb 0.64 0.25 -0.03 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 -0.80 -1.16 -3.76 1.09 4.13 -0.00 -4.88 115.26 109.88 1yju n ASN 42 Ca 0.06 -0.92 -0.13 0.00 1.68 0.00 0.00 54.58 55.27 1yju n ASN 42 Cb 0.43 -1.12 -0.10 0.00 -1.54 0.00 0.00 39.78 37.45 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 -6.46 0.49 -0.38 3.52 2.36 -1.09 -0.53 119.74 117.65 1yju s LYS 43 Ca 0.18 0.26 -0.15 0.00 -2.55 0.00 0.00 55.97 53.71 1yju s LYS 43 Cb -0.10 0.23 0.01 0.00 -1.05 0.00 0.00 37.83 36.91 1yju s LYS 43 CO 0.70 -0.09 0.32 0.00 1.55 0.00 0.00 175.35 177.83 1yju s ALA 44 N -0.32 3.48 -0.85 3.13 0.00 0.76 -0.68 121.76 127.28 1yju s ALA 44 Ca -0.05 -1.50 -0.25 0.00 0.00 0.00 0.00 51.96 50.16 1yju s ALA 44 Cb -0.03 -2.85 0.03 0.00 0.00 0.00 0.00 23.12 20.26 1yju s ALA 44 CO 0.02 -1.29 1.43 -1.58 0.00 0.00 0.00 175.76 174.34 1yju s HIS 45 N 1.84 2.30 0.08 0.00 2.46 -0.01 -0.69 115.29 121.26 1yju s HIS 45 Ca 0.08 -0.24 -0.15 0.00 0.47 0.00 0.00 55.06 55.22 1yju s HIS 45 Cb -0.18 -4.58 -0.06 0.00 -0.13 0.00 0.00 32.58 27.63 1yju s HIS 45 CO 0.11 -2.02 0.50 0.42 -2.47 0.00 0.00 174.74 171.28 1yju s ILE 46 N 5.99 4.90 -0.25 0.89 1.01 -0.59 -0.43 121.20 132.71 1yju s ILE 46 Ca 0.44 0.89 0.02 0.00 0.00 0.00 0.00 60.65 62.00 1yju s ILE 46 Cb -0.05 -3.76 0.05 0.00 0.01 0.00 0.00 42.46 38.71 1yju s ILE 46 CO 0.05 0.42 -0.11 -0.54 0.00 0.00 0.00 174.94 174.76 1yju s LYS 47 N -1.49 2.38 0.06 2.79 1.02 0.30 -0.51 119.74 124.28 1yju s LYS 47 Ca 0.31 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.88 1yju s LYS 47 Cb -0.17 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.29 1yju s LYS 47 CO 0.17 -0.52 0.39 1.52 -0.92 0.00 0.00 175.35 175.99 1yju s TYR 48 N 1.15 -0.22 -0.57 3.18 1.13 -1.26 -0.18 117.35 120.59 1yju s TYR 48 Ca -0.06 0.11 -0.18 0.00 -1.41 0.00 0.00 57.07 55.53 1yju s TYR 48 Cb -0.19 0.20 0.11 0.00 -1.10 0.00 0.00 41.96 40.98 1yju s TYR 48 CO -0.06 -0.58 0.61 -0.51 -2.51 0.00 0.00 175.55 172.50 1yju s ASP 49 N -2.15 6.19 0.25 -0.18 1.01 -0.27 -3.63 116.67 117.88 1yju s ASP 49 Ca -0.04 -1.59 -0.03 0.00 0.71 0.00 0.00 52.55 51.61 1yju s ASP 49 Cb -0.00 -2.26 0.45 0.00 1.01 0.00 0.00 42.92 42.11 1yju s ASP 49 CO -0.04 -0.99 1.81 1.55 0.21 0.00 0.00 175.17 177.71 1yju h PRO 50 N 9.04 0.77 -0.02 8.23 0.13 -1.87 -1.83 132.00 146.45 1yju h PRO 50 Ca -0.30 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1yju h PRO 50 Cb 1.09 -0.17 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 1yju h PRO 50 CO 1.07 0.51 -0.00 0.39 -0.23 0.00 0.00 178.00 179.73 1yju n GLU 51 N -4.75 -0.00 -0.29 0.86 -0.58 -1.26 0.41 120.64 115.04 1yju n GLU 51 Ca 0.15 0.03 0.07 0.00 -0.42 0.00 0.00 57.16 56.99 1yju n GLU 51 Cb 0.32 -0.04 0.19 0.00 -0.57 0.00 0.00 31.44 31.34 1yju n GLU 51 CO 0.00 0.00 0.00 0.44 -0.48 0.00 0.00 177.13 177.09 1yju n ILE 52 N -4.03 1.75 0.00 -3.67 -5.35 -0.69 -4.79 119.36 102.58 1yju n ILE 52 Ca 0.00 -1.58 0.00 0.00 -0.27 0.00 0.00 62.75 60.90 1yju n ILE 52 Cb 0.01 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 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 -0.29 0.00 -0.21 7.28 3.06 0.14 -4.60 119.36 124.75 1yju n ILE 53 Ca 0.16 0.00 0.02 0.00 -2.50 0.00 0.00 62.75 60.43 1yju n ILE 53 Cb 0.67 0.00 -0.01 0.00 0.54 0.00 0.00 39.64 40.84 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 -1.48 -2.80 0.20 4.50 0.00 0.17 -4.25 105.19 101.53 1yju n GLY 54 Ca 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.14 0.61 -0.53 1.61 0.13 -1.97 -3.30 132.00 128.40 1yju h PRO 55 Ca -0.02 -0.04 0.09 0.00 -0.87 0.00 0.00 66.00 65.16 1yju h PRO 55 Cb 0.18 -0.14 -0.10 0.00 0.13 0.00 0.00 31.00 31.07 1yju h PRO 55 CO 0.01 0.40 -0.39 0.00 -0.23 0.00 0.00 178.00 177.79 1yju h ARG 56 N 0.63 -0.22 -0.31 0.86 -0.00 -1.99 0.12 114.38 113.47 1yju h ARG 56 Ca 0.18 0.01 0.04 0.00 -0.50 0.00 0.00 59.98 59.72 1yju h ARG 56 Cb -0.04 0.05 -0.04 0.00 0.00 0.00 0.00 29.97 29.94 1yju h ARG 56 CO -0.06 -0.14 0.07 0.22 0.00 0.00 0.00 179.97 180.06 1yju h ASP 57 N -0.23 0.03 0.16 7.04 3.58 -1.74 0.98 116.42 126.26 1yju h ASP 57 Ca 0.19 0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.68 1yju h ASP 57 Cb 0.56 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.67 1yju h ASP 57 CO -0.65 0.05 -0.08 0.40 -2.88 0.00 0.00 179.24 176.09 1yju h ILE 58 N 0.19 0.88 -0.04 2.25 2.04 -1.45 -1.16 117.51 120.20 1yju h ILE 58 Ca 0.14 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.87 1yju h ILE 58 Cb 0.15 0.98 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 1yju h ILE 58 CO -0.18 0.04 -0.49 0.40 0.00 0.00 0.00 178.15 177.91 1yju h ILE 59 N -0.30 0.00 -0.75 -0.67 2.04 -0.35 0.15 117.51 117.63 1yju h ILE 59 Ca -0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.00 1yju h ILE 59 Cb 0.23 0.00 -0.14 0.00 -0.74 0.00 0.00 36.82 36.17 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 -0.59 -0.25 -0.12 1.37 3.86 -0.74 0.24 115.15 118.92 1yju h HIS 60 Ca 0.02 0.06 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 1yju h HIS 60 Cb 0.65 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.34 1yju h HIS 60 CO -0.53 -0.29 0.05 1.15 0.86 0.00 0.00 177.93 179.17 1yju h THR 61 N 0.04 1.15 0.12 2.45 2.02 -0.06 0.96 112.91 119.58 1yju h THR 61 Ca 0.38 -0.44 0.00 0.00 0.77 0.00 0.00 66.41 67.13 1yju h THR 61 Cb 0.63 1.22 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1yju h THR 61 CO -0.73 0.13 -0.27 0.40 0.37 0.00 0.00 175.52 175.42 1yju h ILE 62 N 0.04 0.00 -0.27 3.11 2.04 0.11 -1.09 117.51 121.45 1yju h ILE 62 Ca 0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.91 1yju h ILE 62 Cb 0.17 0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.23 1yju h ILE 62 CO -0.00 0.00 0.15 1.05 0.00 0.00 0.00 178.15 179.34 1yju h GLU 63 N -0.43 0.30 0.00 2.37 4.11 -1.02 -2.35 114.58 117.55 1yju h GLU 63 Ca -0.01 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1yju h GLU 63 Cb 0.41 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.60 1yju h GLU 63 CO -0.12 0.20 0.00 1.03 0.07 0.00 0.00 179.01 180.19 1yju h SER 64 N 0.31 0.00 0.00 3.06 0.87 -0.67 0.09 113.55 117.20 1yju h SER 64 Ca 0.11 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.67 1yju h SER 64 Cb 0.01 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.97 1yju h SER 64 CO -0.06 0.00 0.00 0.18 -0.53 0.00 0.00 176.83 176.42 1yju n LEU 65 N -3.01 0.00 -0.73 2.23 4.77 -0.42 -4.89 117.00 114.95 1yju n LEU 65 Ca -0.02 0.87 -0.03 0.00 -0.03 0.00 0.00 56.01 56.79 1yju n LEU 65 Cb 0.10 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 40.66 1yju n LEU 65 CO 0.20 -0.50 0.29 0.61 -1.33 0.00 0.00 177.39 176.66 1yju n GLY 66 N -0.24 0.73 3.49 -0.72 0.00 -0.86 -5.14 105.19 102.45 1yju n GLY 66 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 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 1.87 0.11 1.61 0.08 -0.04 -4.78 117.98 116.83 1yju s PHE 67 Ca 0.00 -1.10 0.02 0.00 0.12 0.00 0.00 56.93 55.97 1yju s PHE 67 Cb 0.00 -1.23 -0.04 0.00 -0.57 0.00 0.00 43.02 41.18 1yju s PHE 67 CO 0.00 -0.12 0.21 -2.00 -0.10 0.00 0.00 175.22 173.20 1yju s GLU 68 N -3.82 3.27 0.15 0.44 2.12 -0.05 -4.32 118.70 116.49 1yju s GLU 68 Ca 0.30 -0.61 -0.15 0.00 0.36 0.00 0.00 54.97 54.87 1yju s GLU 68 Cb 0.06 -2.90 0.02 0.00 0.26 0.00 0.00 34.13 31.57 1yju s GLU 68 CO 0.14 0.55 0.41 0.00 -0.54 0.00 0.00 175.26 175.82 1yju s ALA 69 N -1.62 -0.72 -0.19 6.30 0.00 -1.26 -0.29 121.76 123.98 1yju s ALA 69 Ca 0.33 -0.29 -0.21 0.00 0.00 0.00 0.00 51.96 51.79 1yju s ALA 69 Cb -0.12 0.76 0.06 0.00 0.00 0.00 0.00 23.12 23.82 1yju s ALA 69 CO 0.27 -0.69 0.58 0.45 0.00 0.00 0.00 175.76 176.36 1yju s SER 70 N -2.86 -0.59 -1.23 0.00 0.15 -0.17 -4.97 113.70 104.03 1yju s SER 70 Ca 0.08 1.05 -0.17 0.00 0.70 0.00 0.00 55.95 57.61 1yju s SER 70 Cb 0.01 1.06 -0.03 0.00 -1.71 0.00 0.00 66.02 65.36 1yju s SER 70 CO -0.07 -0.27 2.12 0.00 1.20 0.00 0.00 173.24 176.22 1yju n LEU 71 N 2.45 5.88 0.00 3.45 -0.00 -1.26 -0.35 117.00 127.17 1yju n LEU 71 Ca -0.15 -3.72 0.00 0.00 -0.00 0.00 0.00 56.01 52.14 1yju n LEU 71 Cb 0.56 -1.48 0.00 0.00 -0.00 0.00 0.00 43.42 42.50 1yju n LEU 71 CO 0.10 0.58 0.00 1.33 -0.00 0.00 0.00 177.39 179.40 1yju n VAL 72 N 5.45 0.00 -3.97 1.47 0.24 -0.51 -4.94 118.33 116.06 1yju n VAL 72 Ca 0.51 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.73 1yju n VAL 72 Cb 0.40 -0.81 -0.10 0.00 -1.47 0.00 0.00 33.84 31.87 1yju n VAL 72 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1yju s LYS 73 N -0.58 0.58 -0.08 7.34 2.47 -1.26 -4.07 119.74 124.14 1yju s LYS 73 Ca 0.00 -0.88 0.04 0.00 -1.56 0.00 0.00 55.97 53.57 1yju s LYS 73 Cb 0.00 0.22 -0.01 0.00 -1.46 0.00 0.00 37.83 36.58 1yju s LYS 73 CO 0.00 -0.13 -0.22 -1.50 0.16 0.00 0.00 175.35 173.66 1yju s ILE 74 N -2.94 2.32 0.00 5.43 2.07 -1.26 -4.93 121.20 121.89 1yju s ILE 74 Ca -0.02 -0.96 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 1yju s ILE 74 Cb 0.01 -1.88 0.00 0.00 0.13 0.00 0.00 42.46 40.72 1yju s ILE 74 CO -0.06 0.56 0.00 -1.84 -1.91 0.00 0.00 174.94 171.69