#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 -3.12 3.95 -5.12 0.00 -1.26 -5.03 105.19 94.62 1yju n GLY 2 Ca 0.00 -1.21 -0.23 0.00 0.00 0.00 0.00 46.02 44.59 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 -5.14 6.31 0.71 1.61 -4.77 -1.26 -5.10 116.67 109.03 1yju s ASP 3 Ca 0.00 0.29 -0.11 0.00 -3.30 0.00 0.00 52.55 49.43 1yju s ASP 3 Cb 0.00 -1.96 0.02 0.00 -1.09 0.00 0.00 42.92 39.88 1yju s ASP 3 CO 0.00 -0.20 1.08 -0.83 0.70 0.00 0.00 175.17 175.92 1yju s GLY 4 N -4.00 1.64 -0.03 2.12 0.00 -1.20 -4.95 107.32 100.91 1yju s GLY 4 Ca 0.37 -0.17 -0.22 0.00 0.00 0.00 0.00 44.72 44.71 1yju s GLY 4 CO 0.33 0.18 0.48 0.54 0.00 0.00 0.00 173.10 174.63 1yju s VAL 5 N -3.21 0.03 0.09 1.40 0.11 -1.17 -1.57 120.40 116.08 1yju s VAL 5 Ca 0.58 -0.26 -0.12 0.00 -2.93 0.00 0.00 61.98 59.25 1yju s VAL 5 Cb -0.12 -0.79 0.02 0.00 -1.53 0.00 0.00 36.38 33.96 1yju s VAL 5 CO 0.54 -0.14 0.29 -0.22 -3.33 0.00 0.00 175.10 172.23 1yju s LEU 6 N -1.23 0.95 0.15 2.54 2.96 0.59 -4.91 118.68 119.73 1yju s LEU 6 Ca -0.12 -0.41 0.06 0.00 -0.22 0.00 0.00 54.13 53.44 1yju s LEU 6 Cb -0.03 1.37 -0.04 0.00 0.50 0.00 0.00 46.19 47.99 1yju s LEU 6 CO 0.07 -0.73 -0.14 -1.61 -1.32 0.00 0.00 176.35 172.62 1yju s GLU 7 N -3.43 1.13 0.01 1.98 2.02 -1.26 -0.49 118.70 118.66 1yju s GLU 7 Ca 0.01 -1.40 0.04 0.00 0.02 0.00 0.00 54.97 53.64 1yju s GLU 7 Cb 0.02 -0.93 -0.01 0.00 0.10 0.00 0.00 34.13 33.31 1yju s GLU 7 CO -0.09 0.16 -0.11 -0.48 0.02 0.00 0.00 175.26 174.76 1yju s LEU 8 N -2.87 2.09 0.01 1.80 -0.00 -0.81 -1.06 118.68 117.85 1yju s LEU 8 Ca 0.15 -0.31 -0.30 0.00 -0.00 0.00 0.00 54.13 53.66 1yju s LEU 8 Cb -0.02 -0.53 -0.04 0.00 -0.00 0.00 0.00 46.19 45.60 1yju s LEU 8 CO 0.04 0.06 1.11 -0.69 -0.00 0.00 0.00 176.35 176.87 1yju s VAL 9 N -0.56 4.42 0.04 1.48 1.01 0.21 -0.54 120.40 126.47 1yju s VAL 9 Ca 0.02 1.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.67 1yju s VAL 9 Cb -0.06 -4.11 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1yju s VAL 9 CO 0.00 0.10 0.30 -0.69 0.00 0.00 0.00 175.10 174.81 1yju s VAL 10 N 1.29 5.26 -0.01 2.92 1.01 0.07 -0.32 120.40 130.62 1yju s VAL 10 Ca 0.55 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.72 1yju s VAL 10 Cb -0.25 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.51 1yju s VAL 10 CO 0.27 0.29 -0.11 -0.13 0.00 0.00 0.00 175.10 175.41 1yju s ARG 11 N -1.96 2.45 0.00 2.72 3.00 -0.14 -4.77 118.95 120.24 1yju s ARG 11 Ca 0.31 -0.75 0.00 0.00 0.00 0.00 0.00 55.73 55.29 1yju s ARG 11 Cb -0.13 -2.41 0.00 0.00 0.00 0.00 0.00 34.95 32.41 1yju s ARG 11 CO 0.18 0.60 0.00 0.41 0.00 0.00 0.00 175.30 176.50 1yju n GLY 12 N 1.85 2.89 3.76 -3.53 0.00 -1.26 -3.24 105.19 105.66 1yju n GLY 12 Ca -0.16 -0.75 -0.39 0.00 0.00 0.00 0.00 46.02 44.71 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 3.58 0.15 1.61 0.23 -1.26 -4.83 119.30 118.77 1yju s MET 13 Ca 0.00 2.37 0.00 0.00 -1.03 0.00 0.00 55.69 57.03 1yju s MET 13 Cb 0.00 -2.57 0.00 0.00 -1.53 0.00 0.00 34.83 30.73 1yju s MET 13 CO 0.00 -0.89 0.00 -2.37 -2.03 0.00 0.00 175.02 169.73 1yju n THR 14 N -0.36 0.00 -1.96 3.16 5.66 -1.26 -5.03 114.28 114.48 1yju n THR 14 Ca 0.06 0.00 -0.37 0.00 -3.05 0.00 0.00 64.05 60.69 1yju n THR 14 Cb 0.43 0.00 0.03 0.00 -1.55 0.00 0.00 70.33 69.24 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 -1.21 0.34 -0.22 0.00 0.00 -1.26 -0.03 120.51 118.13 1yju n ALA 16 Ca 0.11 0.77 0.00 0.00 0.00 0.00 0.00 53.44 54.33 1yju n ALA 16 Cb 0.48 -0.55 0.24 0.00 0.00 0.00 0.00 19.45 19.61 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 0.88 -0.00 0.00 4.64 -1.99 0.37 113.55 117.44 1yju h SER 17 Ca 0.42 -0.03 -0.08 0.00 -0.47 0.00 0.00 61.79 61.64 1yju h SER 17 Cb 0.84 -0.22 0.01 0.00 -0.31 0.00 0.00 62.40 62.72 1yju h SER 17 CO -0.69 0.64 -0.31 0.00 -0.87 0.00 0.00 176.83 175.61 1yju h VAL 19 N -0.42 0.00 0.00 0.00 2.07 -0.37 0.41 116.25 117.94 1yju h VAL 19 Ca -0.04 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.41 1yju h VAL 19 Cb 1.05 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1yju h VAL 19 CO 0.06 0.00 -0.36 1.12 0.02 0.00 0.00 177.57 178.41 1yju h HIS 20 N -0.08 0.00 0.31 1.57 2.07 -1.13 -2.48 115.15 115.42 1yju h HIS 20 Ca 0.02 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.53 1yju h HIS 20 Cb 0.13 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.12 1yju h HIS 20 CO -0.68 0.36 -0.15 -0.22 -3.07 0.00 0.00 177.93 174.17 1yju h LYS 21 N 0.00 -0.40 -0.15 5.12 3.64 -1.40 0.65 116.57 124.03 1yju h LYS 21 Ca -0.00 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 1yju h LYS 21 Cb 0.78 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.63 1yju h LYS 21 CO 0.05 -0.23 -0.35 0.82 -2.27 0.00 0.00 179.45 177.46 1yju h ILE 22 N -0.47 0.23 0.13 2.00 2.04 -0.59 0.43 117.51 121.29 1yju h ILE 22 Ca -0.04 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1yju h ILE 22 Cb 0.35 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 36.62 1yju h ILE 22 CO 0.07 0.00 -0.50 -0.33 0.00 0.00 0.00 178.15 177.39 1yju h GLU 23 N -0.42 -0.71 -0.77 2.37 5.08 -1.26 0.50 114.58 119.36 1yju h GLU 23 Ca 0.09 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.61 1yju h GLU 23 Cb 0.57 0.16 -0.08 0.00 0.50 0.00 0.00 28.75 29.91 1yju h GLU 23 CO -0.38 -0.48 0.39 1.03 -1.00 0.00 0.00 179.01 178.58 1yju h SER 24 N -0.74 0.50 0.04 1.42 0.87 -0.69 -0.08 113.55 114.87 1yju h SER 24 Ca 0.00 0.07 -0.00 0.00 -1.23 0.00 0.00 61.79 60.63 1yju h SER 24 Cb 0.75 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 1yju h SER 24 CO -0.27 0.26 -0.02 0.28 -0.53 0.00 0.00 176.83 176.55 1yju h SER 25 N 0.63 -0.05 -0.05 6.23 0.02 0.96 -2.83 113.55 118.46 1yju h SER 25 Ca 0.39 -0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.17 1yju h SER 25 Cb 0.46 0.01 -0.00 0.00 0.14 0.00 0.00 62.40 63.01 1yju h SER 25 CO -0.30 -0.03 -0.57 -0.07 -1.14 0.00 0.00 176.83 174.72 1yju h LEU 26 N -0.06 0.72 -2.02 5.07 -0.00 -0.55 -3.12 115.31 115.35 1yju h LEU 26 Ca -0.01 -0.39 0.07 0.00 -0.00 0.00 0.00 57.88 57.56 1yju h LEU 26 Cb 0.05 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 40.49 1yju h LEU 26 CO 0.01 1.13 0.38 0.74 -0.00 0.00 0.00 178.44 180.70 1yju h THR 27 N 0.49 0.27 -0.13 0.22 2.02 -0.78 0.44 112.91 115.43 1yju h THR 27 Ca 0.01 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 1yju h THR 27 Cb 1.13 0.68 -0.01 0.00 -1.74 0.00 0.00 68.15 68.21 1yju h THR 27 CO 0.11 0.00 0.08 0.07 0.37 0.00 0.00 175.52 176.15 1yju h LYS 28 N 0.00 0.18 -7.05 6.66 2.10 -1.45 -3.44 116.57 113.58 1yju h LYS 28 Ca 0.12 -0.01 -0.50 0.00 -2.00 0.00 0.00 60.65 58.26 1yju h LYS 28 Cb 0.88 -0.04 0.06 0.00 -0.90 0.00 0.00 32.23 32.23 1yju h LYS 28 CO -0.00 0.13 0.45 -1.01 -2.00 0.00 0.00 179.45 177.01 1yju s HIS 29 N -5.19 2.80 -0.53 0.07 3.76 0.14 -4.96 115.29 111.39 1yju s HIS 29 Ca -0.06 1.55 0.02 0.00 -0.15 0.00 0.00 55.06 56.41 1yju s HIS 29 Cb 0.17 -3.29 0.49 0.00 1.11 0.00 0.00 32.58 31.06 1yju s HIS 29 CO 0.69 -1.43 1.80 0.54 -0.85 0.00 0.00 174.74 175.49 1yju n ARG 30 N -0.92 2.74 -0.78 1.40 5.12 -1.26 -4.08 116.66 118.88 1yju n ARG 30 Ca 0.10 -3.42 -0.02 0.00 -1.93 0.00 0.00 57.85 52.57 1yju n ARG 30 Cb 0.50 -2.23 -0.02 0.00 -1.16 0.00 0.00 32.46 29.55 1yju n ARG 30 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1yju n GLY 31 N -0.93 0.76 3.42 -0.13 0.00 -1.26 -4.93 105.19 102.12 1yju n GLY 31 Ca 0.56 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 1yju n GLY 31 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1yju s ILE 32 N 0.00 3.07 -0.16 -0.61 2.07 -1.26 -2.76 121.20 121.55 1yju s ILE 32 Ca 0.04 -0.68 -0.04 0.00 -1.41 0.00 0.00 60.65 58.55 1yju s ILE 32 Cb 0.04 -2.25 -0.23 0.00 0.13 0.00 0.00 42.46 40.15 1yju s ILE 32 CO -0.02 0.55 0.18 0.18 -1.91 0.00 0.00 174.94 173.93 1yju n LEU 33 N 3.01 2.74 -3.68 8.50 4.77 0.90 -4.95 117.00 128.29 1yju n LEU 33 Ca -0.18 0.11 -0.12 0.00 -0.03 0.00 0.00 56.01 55.79 1yju n LEU 33 Cb 0.52 -1.06 -0.09 0.00 -2.33 0.00 0.00 43.42 40.47 1yju n LEU 33 CO 0.28 0.88 0.23 -0.47 -1.33 0.00 0.00 177.39 176.98 1yju s TYR 34 N -2.55 -0.68 -0.10 -1.77 5.04 -0.17 -4.98 117.35 112.14 1yju s TYR 34 Ca -0.26 1.56 0.01 0.00 -2.44 0.00 0.00 57.07 55.94 1yju s TYR 34 Cb 0.07 0.28 -0.02 0.00 0.35 0.00 0.00 41.96 42.65 1yju s TYR 34 CO 0.72 -0.34 -0.15 0.00 -1.34 0.00 0.00 175.55 174.44 1yju s SER 36 N 0.07 0.28 -0.63 0.00 0.15 -0.34 -4.91 113.70 108.32 1yju s SER 36 Ca -0.06 -0.04 -0.09 0.00 0.70 0.00 0.00 55.95 56.46 1yju s SER 36 Cb -0.15 -0.06 0.16 0.00 -1.71 0.00 0.00 66.02 64.26 1yju s SER 36 CO 0.05 0.00 0.51 0.54 1.20 0.00 0.00 173.24 175.54 1yju s VAL 37 N 0.14 4.54 -1.03 4.45 0.11 -1.26 -0.60 120.40 126.75 1yju s VAL 37 Ca -0.01 -2.31 -0.21 0.00 -2.93 0.00 0.00 61.98 56.52 1yju s VAL 37 Cb -0.03 -3.91 0.08 0.00 -1.53 0.00 0.00 36.38 30.99 1yju s VAL 37 CO -0.00 -0.89 1.38 0.00 -3.33 0.00 0.00 175.10 172.26 1yju s ALA 38 N 0.61 3.02 0.15 1.54 0.00 0.53 -4.85 121.76 122.75 1yju s ALA 38 Ca 0.12 -2.52 -0.04 0.00 0.00 0.00 0.00 51.96 49.52 1yju s ALA 38 Cb -0.20 -4.38 0.24 0.00 0.00 0.00 0.00 23.12 18.78 1yju s ALA 38 CO -0.04 -3.36 0.83 -0.11 0.00 0.00 0.00 175.76 173.08 1yju n LEU 39 N 8.01 -0.19 -0.13 0.00 0.00 -1.26 -0.48 117.00 122.94 1yju n LEU 39 Ca 0.32 0.92 0.19 0.00 0.00 0.00 0.00 56.01 57.44 1yju n LEU 39 Cb 0.50 -0.28 0.59 0.00 0.00 0.00 0.00 43.42 44.23 1yju n LEU 39 CO 0.62 -0.88 1.21 0.00 0.00 0.00 0.00 177.39 178.34 1yju h ALA 40 N 1.07 2.33 -0.04 1.96 0.00 -1.96 0.77 119.26 123.39 1yju h ALA 40 Ca 0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1yju h ALA 40 Cb 0.39 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1yju h ALA 40 CO -0.55 -0.53 0.00 -2.37 0.00 0.00 0.00 179.25 175.80 1yju n THR 41 N -4.43 1.49 -3.04 0.00 5.66 0.37 -5.02 114.28 109.31 1yju n THR 41 Ca 0.14 -1.64 0.00 0.00 -3.05 0.00 0.00 64.05 59.50 1yju n THR 41 Cb 0.63 0.11 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 1yju n THR 41 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1yju n ASN 42 N -0.88 0.00 -4.17 1.09 2.85 0.26 -4.89 115.26 109.52 1yju n ASN 42 Ca 0.09 0.00 -0.19 0.00 -0.11 0.00 0.00 54.58 54.37 1yju n ASN 42 Cb 0.48 0.00 -0.12 0.00 1.24 0.00 0.00 39.78 41.38 1yju n ASN 42 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 1yju s LYS 43 N -4.04 0.87 -0.39 1.20 2.36 -1.20 -0.75 119.74 117.79 1yju s LYS 43 Ca 0.00 -0.90 -0.15 0.00 -2.55 0.00 0.00 55.97 52.37 1yju s LYS 43 Cb 0.00 -0.88 0.01 0.00 -1.05 0.00 0.00 37.83 35.91 1yju s LYS 43 CO 0.00 0.20 0.33 0.00 1.55 0.00 0.00 175.35 177.43 1yju s ALA 44 N -1.14 3.47 -0.21 3.13 0.00 0.30 -0.34 121.76 126.97 1yju s ALA 44 Ca -0.01 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.11 1yju s ALA 44 Cb -0.09 -2.88 0.01 0.00 0.00 0.00 0.00 23.12 20.15 1yju s ALA 44 CO 0.02 -1.36 1.05 -1.58 0.00 0.00 0.00 175.76 173.90 1yju s HIS 45 N 1.84 3.32 -0.37 0.00 2.46 0.23 -1.92 115.29 120.85 1yju s HIS 45 Ca 0.08 1.45 0.02 0.00 0.47 0.00 0.00 55.06 57.07 1yju s HIS 45 Cb -0.18 -3.28 0.11 0.00 -0.13 0.00 0.00 32.58 29.10 1yju s HIS 45 CO 0.11 -0.55 0.12 0.42 -2.47 0.00 0.00 174.74 172.37 1yju s ILE 46 N 3.10 1.70 -0.21 0.89 1.01 0.35 -1.20 121.20 126.84 1yju s ILE 46 Ca 0.45 -2.17 -0.29 0.00 0.00 0.00 0.00 60.65 58.65 1yju s ILE 46 Cb -0.16 -2.24 0.00 0.00 0.01 0.00 0.00 42.46 40.07 1yju s ILE 46 CO 0.08 -0.70 1.01 -0.54 0.00 0.00 0.00 174.94 174.80 1yju s LYS 47 N 0.92 4.28 0.06 2.79 1.02 0.40 -0.30 119.74 128.91 1yju s LYS 47 Ca 0.12 1.32 -0.27 0.00 0.02 0.00 0.00 55.97 57.16 1yju s LYS 47 Cb -0.20 -3.62 0.09 0.00 -0.52 0.00 0.00 37.83 33.57 1yju s LYS 47 CO -0.12 -0.57 0.93 1.52 -0.92 0.00 0.00 175.35 176.19 1yju s TYR 48 N 2.97 -0.25 -0.05 3.18 1.13 -0.61 -0.07 117.35 123.65 1yju s TYR 48 Ca 0.44 0.05 0.03 0.00 -1.41 0.00 0.00 57.07 56.17 1yju s TYR 48 Cb -0.16 0.58 0.01 0.00 -1.10 0.00 0.00 41.96 41.29 1yju s TYR 48 CO 0.08 -0.65 -0.14 -0.51 -2.51 0.00 0.00 175.55 171.82 1yju s ASP 49 N -2.68 1.86 0.04 -0.18 1.01 -1.11 -3.06 116.67 112.55 1yju s ASP 49 Ca 0.08 -0.31 -0.26 0.00 0.71 0.00 0.00 52.55 52.77 1yju s ASP 49 Cb -0.01 -0.70 -0.17 0.00 1.01 0.00 0.00 42.92 43.05 1yju s ASP 49 CO -0.04 0.08 1.49 1.55 0.21 0.00 0.00 175.17 178.45 1yju h PRO 50 N 6.65 -0.30 -0.80 8.23 0.13 -1.98 -3.13 132.00 140.81 1yju h PRO 50 Ca -0.31 0.02 0.19 0.00 -0.87 0.00 0.00 66.00 65.03 1yju h PRO 50 Cb 1.18 0.07 -0.05 0.00 0.13 0.00 0.00 31.00 32.33 1yju h PRO 50 CO 0.48 -0.06 0.55 1.05 -0.23 0.00 0.00 178.00 179.78 1yju h GLU 51 N -0.49 0.24 -0.18 0.86 4.11 -1.98 0.43 114.58 117.57 1yju h GLU 51 Ca -0.03 -0.01 0.00 0.00 0.07 0.00 0.00 59.36 59.38 1yju h GLU 51 Cb 0.37 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.56 1yju h GLU 51 CO 0.05 0.16 0.00 0.44 0.07 0.00 0.00 179.01 179.73 1yju n ILE 52 N -4.43 0.23 0.06 -1.06 -5.35 -1.18 -4.65 119.36 102.99 1yju n ILE 52 Ca 0.16 -0.33 0.00 0.00 -0.27 0.00 0.00 62.75 62.31 1yju n ILE 52 Cb 0.70 0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 0.24 0.00 -0.74 7.28 0.00 -0.07 -4.08 119.36 121.99 1yju n ILE 53 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.90 1yju n ILE 53 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 39.64 39.74 1yju n ILE 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1yju n GLY 54 N -0.36 -2.84 0.34 4.50 0.00 0.13 -4.53 105.19 102.44 1yju n GLY 54 Ca 0.00 -0.69 0.13 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.20 -0.87 1.61 0.13 -1.94 -0.11 132.00 131.02 1yju h PRO 55 Ca 0.00 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 65.26 1yju h PRO 55 Cb 0.00 -0.04 -0.07 0.00 0.13 0.00 0.00 31.00 31.02 1yju h PRO 55 CO 0.00 0.13 0.56 -0.09 -0.23 0.00 0.00 178.00 178.38 1yju h ARG 56 N 0.21 0.64 -0.17 0.86 2.43 -1.98 0.48 114.38 116.85 1yju h ARG 56 Ca 0.20 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.30 1yju h ARG 56 Cb 0.53 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.93 1yju h ARG 56 CO -0.03 0.42 -0.03 0.22 -1.51 0.00 0.00 179.97 179.04 1yju h ASP 57 N 0.66 0.32 -0.11 -3.80 3.58 -1.24 0.19 116.42 116.00 1yju h ASP 57 Ca 0.44 -0.36 0.04 0.00 0.42 0.00 0.00 57.03 57.57 1yju h ASP 57 Cb 0.73 -0.09 -0.04 0.00 1.72 0.00 0.00 39.33 41.65 1yju h ASP 57 CO -0.19 0.60 -0.15 0.40 -2.88 0.00 0.00 179.24 177.02 1yju h ILE 58 N 0.03 0.61 0.06 2.25 2.04 -1.47 -0.47 117.51 120.55 1yju h ILE 58 Ca 0.04 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.92 1yju h ILE 58 Cb 0.45 0.61 -0.03 0.00 -0.74 0.00 0.00 36.82 37.11 1yju h ILE 58 CO 0.01 0.00 -0.18 0.40 0.00 0.00 0.00 178.15 178.39 1yju h ILE 59 N -0.19 0.58 -0.75 -0.67 2.04 -0.68 0.47 117.51 118.31 1yju h ILE 59 Ca 0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.12 1yju h ILE 59 Cb 0.31 0.58 -0.13 0.00 -0.74 0.00 0.00 36.82 36.85 1yju h ILE 59 CO -0.23 0.00 -0.02 0.45 0.00 0.00 0.00 178.15 178.36 1yju h HIS 60 N -0.32 -0.09 -0.04 1.37 3.86 -0.50 0.02 115.15 119.44 1yju h HIS 60 Ca 0.04 0.06 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1yju h HIS 60 Cb 0.36 0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.99 1yju h HIS 60 CO -0.20 -0.25 0.02 1.15 0.86 0.00 0.00 177.93 179.51 1yju h THR 61 N 0.09 1.12 -0.08 2.45 2.02 0.35 0.24 112.91 119.10 1yju h THR 61 Ca 0.40 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 67.25 1yju h THR 61 Cb 0.70 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.37 1yju h THR 61 CO -0.67 0.10 -0.09 0.40 0.37 0.00 0.00 175.52 175.62 1yju h ILE 62 N -0.08 0.74 -0.39 3.11 2.04 0.36 0.42 117.51 123.71 1yju h ILE 62 Ca 0.01 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 65.72 1yju h ILE 62 Cb 0.14 0.74 -0.01 0.00 -0.74 0.00 0.00 36.82 36.95 1yju h ILE 62 CO -0.00 0.00 -0.37 1.05 0.00 0.00 0.00 178.15 178.83 1yju h GLU 63 N -0.13 0.94 0.00 2.37 4.11 -0.84 -2.84 114.58 118.18 1yju h GLU 63 Ca 0.06 -0.49 -0.02 0.00 0.07 0.00 0.00 59.36 58.99 1yju h GLU 63 Cb 0.22 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.48 1yju h GLU 63 CO -0.15 1.14 -0.08 1.03 0.07 0.00 0.00 179.01 181.01 1yju h SER 64 N 0.76 0.00 0.00 3.06 0.87 -0.20 -3.20 113.55 114.83 1yju h SER 64 Ca 0.06 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 1yju h SER 64 Cb 0.96 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.92 1yju h SER 64 CO 0.09 0.08 0.00 0.18 -0.53 0.00 0.00 176.83 176.66 1yju n LEU 65 N -3.45 0.36 -0.45 2.23 4.77 0.11 -4.97 117.00 115.60 1yju n LEU 65 Ca -0.01 0.11 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 1yju n LEU 65 Cb 0.23 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1yju n LEU 65 CO 0.28 0.00 0.23 0.61 -1.33 0.00 0.00 177.39 177.18 1yju n GLY 66 N 0.85 0.96 2.74 -0.72 0.00 -1.20 -5.12 105.19 102.70 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 0.66 0.58 1.61 0.08 -1.08 -4.77 117.98 115.06 1yju s PHE 67 Ca 0.00 -0.33 -0.16 0.00 0.12 0.00 0.00 56.93 56.56 1yju s PHE 67 Cb 0.00 -0.82 -0.04 0.00 -0.57 0.00 0.00 43.02 41.58 1yju s PHE 67 CO 0.00 -0.41 1.05 -1.21 -0.10 0.00 0.00 175.22 174.55 1yju s GLU 68 N 1.98 3.43 0.34 0.44 8.01 -1.20 -2.72 118.70 128.97 1yju s GLU 68 Ca 0.03 1.18 0.10 0.00 0.01 0.00 0.00 54.97 56.28 1yju s GLU 68 Cb -0.14 -2.05 -0.06 0.00 -4.31 0.00 0.00 34.13 27.57 1yju s GLU 68 CO -0.06 -0.72 -0.08 0.00 0.01 0.00 0.00 175.26 174.41 1yju s ALA 69 N -2.46 2.99 -0.35 5.21 0.00 -1.26 -0.97 121.76 124.92 1yju s ALA 69 Ca 0.63 -2.04 0.03 0.00 0.00 0.00 0.00 51.96 50.57 1yju s ALA 69 Cb -0.15 -0.14 0.15 0.00 0.00 0.00 0.00 23.12 22.98 1yju s ALA 69 CO 0.35 0.10 0.37 -1.12 0.00 0.00 0.00 175.76 175.47 1yju s SER 70 N -3.62 1.10 0.07 0.00 0.01 0.56 -4.95 113.70 106.86 1yju s SER 70 Ca 0.33 -1.31 -0.34 0.00 1.31 0.00 0.00 55.95 55.94 1yju s SER 70 Cb 0.01 0.64 -0.13 0.00 0.21 0.00 0.00 66.02 66.75 1yju s SER 70 CO 0.17 -0.29 1.68 0.00 0.41 0.00 0.00 173.24 175.21 1yju n LEU 71 N 4.53 3.19 -4.54 2.44 -0.00 -1.26 -0.62 117.00 120.75 1yju n LEU 71 Ca 0.08 1.04 -0.31 0.00 -0.00 0.00 0.00 56.01 56.82 1yju n LEU 71 Cb 0.46 -1.40 -0.11 0.00 -0.00 0.00 0.00 43.42 42.37 1yju n LEU 71 CO 0.06 -0.22 -0.44 0.68 -0.00 0.00 0.00 177.39 177.47 1yju s VAL 72 N 2.03 3.25 0.02 1.47 -7.23 -0.22 -4.90 120.40 114.81 1yju s VAL 72 Ca 0.84 -1.08 -0.25 0.00 -1.81 0.00 0.00 61.98 59.68 1yju s VAL 72 Cb -0.69 -2.43 -0.17 0.00 0.56 0.00 0.00 36.38 33.65 1yju s VAL 72 CO 0.43 0.29 1.34 0.50 -0.31 0.00 0.00 175.10 177.34 1yju h LYS 73 N 4.25 -0.27 0.00 4.82 1.63 -1.94 -3.38 116.57 121.68 1yju h LYS 73 Ca -0.48 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.34 1yju h LYS 73 Cb 1.16 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 1yju h LYS 73 CO 0.51 0.04 0.00 1.51 -3.45 0.00 0.00 179.45 178.06 1yju n ILE 74 N -5.08 0.00 -1.34 2.00 3.06 -1.26 -4.91 119.36 111.84 1yju n ILE 74 Ca -0.09 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.16 1yju n ILE 74 Cb 0.23 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.41 1yju n ILE 74 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43