#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1utd n ASN 6 N 0.00 7.17 -4.14 3.42 4.05 -1.26 -5.03 115.26 119.47 1utd n ASN 6 Ca 0.00 -3.79 -0.30 0.00 0.45 0.00 0.00 54.58 50.94 1utd n ASN 6 Cb 0.00 -0.88 0.19 0.00 1.23 0.00 0.00 39.78 40.31 1utd n ASN 6 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 177.26 173.27 1utd s SER 7 N -2.02 2.94 0.83 1.20 1.04 -1.26 -5.04 113.70 111.39 1utd s SER 7 Ca 0.60 0.34 -0.12 0.00 0.48 0.00 0.00 55.95 57.26 1utd s SER 7 Cb 0.48 -0.43 0.09 0.00 0.10 0.00 0.00 66.02 66.26 1utd s SER 7 CO -0.08 -2.85 1.10 -0.62 0.98 0.00 0.00 173.24 171.77 1utd s ASP 8 N -4.75 4.11 0.11 7.02 -1.08 -1.26 -4.84 116.67 115.98 1utd s ASP 8 Ca 0.73 1.35 -0.03 0.00 -0.52 0.00 0.00 52.55 54.08 1utd s ASP 8 Cb -0.05 -2.06 -0.03 0.00 -1.46 0.00 0.00 42.92 39.32 1utd s ASP 8 CO 0.53 -2.22 0.09 0.72 0.52 0.00 0.00 175.17 174.82 1utd s PHE 9 N -3.09 0.62 0.04 -5.34 -0.12 -1.26 -1.65 117.98 107.19 1utd s PHE 9 Ca 0.62 -1.04 0.07 0.00 -0.05 0.00 0.00 56.93 56.53 1utd s PHE 9 Cb -0.16 -0.34 -0.03 0.00 -0.63 0.00 0.00 43.02 41.87 1utd s PHE 9 CO 0.55 -0.53 -0.20 0.14 -0.05 0.00 0.00 175.22 175.13 1utd s VAL 10 N -3.98 1.63 -0.17 -2.49 -7.23 -0.25 -4.57 120.40 103.34 1utd s VAL 10 Ca 0.17 -1.20 -0.05 0.00 -1.81 0.00 0.00 61.98 59.10 1utd s VAL 10 Cb 0.07 -1.42 -0.03 0.00 0.56 0.00 0.00 36.38 35.56 1utd s VAL 10 CO -0.03 0.18 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.24 1utd s VAL 11 N -0.82 4.06 -0.11 1.32 1.01 -0.26 -1.08 120.40 124.51 1utd s VAL 11 Ca 0.07 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 61.77 1utd s VAL 11 Cb -0.09 -2.80 0.01 0.00 0.00 0.00 0.00 36.38 33.51 1utd s VAL 11 CO 0.02 0.48 -0.16 -0.63 0.00 0.00 0.00 175.10 174.80 1utd s ILE 12 N 0.48 1.58 -0.25 2.22 1.09 0.10 -0.93 121.20 125.49 1utd s ILE 12 Ca -0.02 -0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 58.83 1utd s ILE 12 Cb -0.14 -1.43 0.03 0.00 -1.06 0.00 0.00 42.46 39.85 1utd s ILE 12 CO 0.02 0.46 -0.05 -0.75 -0.10 0.00 0.00 174.94 174.52 1utd s LYS 13 N 0.98 2.82 0.19 2.79 2.20 -0.48 -0.60 119.74 127.64 1utd s LYS 13 Ca -0.06 -0.99 -0.32 0.00 -0.36 0.00 0.00 55.97 54.24 1utd s LYS 13 Cb -0.15 -3.01 -0.11 0.00 -1.51 0.00 0.00 37.83 33.05 1utd s LYS 13 CO -0.02 -0.41 1.65 0.00 -0.36 0.00 0.00 175.35 176.21 1utd s ALA 14 N 1.33 3.86 -2.76 3.13 0.00 -0.60 -1.16 121.76 125.56 1utd s ALA 14 Ca -0.00 1.50 0.23 0.00 0.00 0.00 0.00 51.96 53.68 1utd s ALA 14 Cb -0.17 -3.66 0.16 0.00 0.00 0.00 0.00 23.12 19.45 1utd s ALA 14 CO -0.04 -0.86 1.20 1.28 0.00 0.00 0.00 175.76 177.34 1utd n LEU 15 N 3.89 2.81 -3.97 0.00 4.77 0.38 -0.54 117.00 124.34 1utd n LEU 15 Ca 0.15 -0.98 -0.09 0.00 -0.03 0.00 0.00 56.01 55.06 1utd n LEU 15 Cb 0.37 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.41 1utd n LEU 15 CO 0.63 0.48 0.21 -1.83 -1.33 0.00 0.00 177.39 175.54 1utd s GLU 16 N -1.92 1.55 0.60 3.23 -1.05 -1.23 -4.85 118.70 115.04 1utd s GLU 16 Ca 0.26 -1.21 -0.17 0.00 -0.15 0.00 0.00 54.97 53.70 1utd s GLU 16 Cb 0.19 0.48 -0.03 0.00 -0.44 0.00 0.00 34.13 34.33 1utd s GLU 16 CO 0.30 -0.65 1.13 -0.51 0.95 0.00 0.00 175.26 176.48 1utd s ASP 17 N -3.00 5.36 0.00 0.83 1.01 -1.26 -3.19 116.67 116.42 1utd s ASP 17 Ca 0.21 2.13 0.00 0.00 0.71 0.00 0.00 52.55 55.60 1utd s ASP 17 Cb -0.01 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.35 1utd s ASP 17 CO 0.08 -1.46 0.00 0.61 0.21 0.00 0.00 175.17 174.61 1utd n GLY 18 N -0.07 0.48 3.76 0.21 0.00 -1.13 -4.89 105.19 103.55 1utd n GLY 18 Ca 0.11 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 1utd n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1utd s VAL 19 N -2.00 2.33 -0.17 1.61 1.01 -0.72 -4.81 120.40 117.65 1utd s VAL 19 Ca 0.00 0.30 -0.02 0.00 0.00 0.00 0.00 61.98 62.25 1utd s VAL 19 Cb 0.00 -3.19 -0.01 0.00 0.00 0.00 0.00 36.38 33.17 1utd s VAL 19 CO 0.00 0.06 -0.07 0.20 0.00 0.00 0.00 175.10 175.29 1utd s ASN 20 N 0.11 4.31 -0.33 3.32 0.01 -0.45 -0.09 114.94 121.82 1utd s ASN 20 Ca 0.57 -0.31 -0.10 0.00 -0.71 0.00 0.00 52.86 52.31 1utd s ASN 20 Cb -0.44 -1.70 0.01 0.00 0.41 0.00 0.00 41.25 39.52 1utd s ASN 20 CO 0.52 0.09 0.16 -0.69 -1.51 0.00 0.00 177.10 175.67 1utd s VAL 21 N 0.81 4.48 -0.16 1.60 1.01 0.42 -1.17 120.40 127.40 1utd s VAL 21 Ca -0.03 -0.61 -0.03 0.00 0.00 0.00 0.00 61.98 61.32 1utd s VAL 21 Cb -0.15 -3.36 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1utd s VAL 21 CO 0.01 -0.03 -0.05 -0.63 0.00 0.00 0.00 175.10 174.41 1utd s ILE 22 N 1.57 3.76 -0.13 2.22 1.01 0.11 -0.39 121.20 129.36 1utd s ILE 22 Ca 0.03 -0.40 -0.17 0.00 0.00 0.00 0.00 60.65 60.11 1utd s ILE 22 Cb -0.18 -2.64 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 1utd s ILE 22 CO 0.06 0.49 0.44 -0.83 0.00 0.00 0.00 174.94 175.10 1utd s GLY 23 N 0.42 2.36 -0.13 6.18 0.00 0.28 -0.94 107.32 115.48 1utd s GLY 23 Ca -0.05 -0.24 -0.10 0.00 0.00 0.00 0.00 44.72 44.33 1utd s GLY 23 CO 0.03 0.70 0.20 1.08 0.00 0.00 0.00 173.10 175.12 1utd s LEU 24 N 0.59 4.33 0.29 0.66 1.02 -0.11 -1.24 118.68 124.21 1utd s LEU 24 Ca 0.24 0.48 -0.30 0.00 0.02 0.00 0.00 54.13 54.57 1utd s LEU 24 Cb -0.15 -2.20 -0.11 0.00 0.02 0.00 0.00 46.19 43.75 1utd s LEU 24 CO 0.09 0.28 1.54 0.42 0.02 0.00 0.00 176.35 178.70 1utd s THR 25 N -0.38 2.20 0.35 5.49 -4.23 -0.29 -2.32 115.64 116.46 1utd s THR 25 Ca 0.15 0.18 -0.27 0.00 -1.18 0.00 0.00 61.69 60.56 1utd s THR 25 Cb -0.13 -3.11 -0.09 0.00 1.34 0.00 0.00 72.50 70.51 1utd s THR 25 CO 0.04 0.03 1.16 -0.60 -0.54 0.00 0.00 174.62 174.71 1utd s ARG 26 N -0.68 4.29 0.00 3.99 3.52 -0.91 -4.60 118.95 124.56 1utd s ARG 26 Ca 0.61 1.87 0.00 0.00 -0.13 0.00 0.00 55.73 58.08 1utd s ARG 26 Cb -0.46 -2.88 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 1utd s ARG 26 CO 0.49 -0.13 0.00 0.41 -0.81 0.00 0.00 175.30 175.26 1utd n GLY 27 N 0.80 0.45 0.28 8.12 0.00 -1.26 -4.75 105.19 108.83 1utd n GLY 27 Ca 0.02 -2.19 0.03 0.00 0.00 0.00 0.00 46.02 43.88 1utd n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1utd h ALA 28 N 0.00 1.64 -2.94 4.61 0.00 -2.05 -3.42 119.26 117.10 1utd h ALA 28 Ca 0.00 -0.09 -0.60 0.00 0.00 0.00 0.00 54.91 54.22 1utd h ALA 28 Cb 0.00 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.58 1utd h ALA 28 CO 0.00 0.28 -0.27 0.34 0.00 0.00 0.00 179.25 179.60 1utd s ASP 29 N -6.78 6.56 -0.23 0.00 2.15 -1.26 -5.09 116.67 112.02 1utd s ASP 29 Ca -0.07 0.66 0.02 0.00 0.43 0.00 0.00 52.55 53.59 1utd s ASP 29 Cb 0.17 -2.21 0.04 0.00 -0.30 0.00 0.00 42.92 40.62 1utd s ASP 29 CO 0.73 0.15 -0.14 -0.89 -0.17 0.00 0.00 175.17 174.85 1utd s THR 30 N 0.07 2.11 0.22 1.71 2.01 -1.26 -4.59 115.64 115.91 1utd s THR 30 Ca 0.20 -1.36 -0.14 0.00 0.31 0.00 0.00 61.69 60.70 1utd s THR 30 Cb -0.14 -2.10 0.00 0.00 0.01 0.00 0.00 72.50 70.27 1utd s THR 30 CO 0.07 0.19 0.47 0.00 -0.69 0.00 0.00 174.62 174.65 1utd s ARG 31 N 1.18 1.46 0.05 4.92 1.70 -1.26 -4.96 118.95 122.05 1utd s ARG 31 Ca -0.04 -1.15 -0.30 0.00 -0.47 0.00 0.00 55.73 53.78 1utd s ARG 31 Cb -0.17 0.47 -0.04 0.00 -0.57 0.00 0.00 34.95 34.64 1utd s ARG 31 CO -0.08 -0.60 0.97 -0.06 -1.08 0.00 0.00 175.30 174.45 1utd s PHE 32 N -3.98 3.73 -0.02 5.89 0.08 -1.26 -1.14 117.98 121.28 1utd s PHE 32 Ca 0.18 1.74 0.14 0.00 0.12 0.00 0.00 56.93 59.11 1utd s PHE 32 Cb -0.00 -3.09 -0.21 0.00 -0.57 0.00 0.00 43.02 39.15 1utd s PHE 32 CO 0.05 0.08 0.29 -2.39 -0.10 0.00 0.00 175.22 173.14 1utd n HIS 33 N 3.36 0.00 -3.66 0.36 1.44 -0.37 -4.92 115.22 111.43 1utd n HIS 33 Ca 0.04 0.00 -0.12 0.00 -2.01 0.00 0.00 57.72 55.64 1utd n HIS 33 Cb 0.50 -0.32 -0.08 0.00 0.12 0.00 0.00 29.99 30.21 1utd n HIS 33 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1utd s HIS 34 N -2.91 -0.77 -0.21 -1.40 5.65 -1.25 -5.01 115.29 109.39 1utd s HIS 34 Ca -0.05 1.73 -0.02 0.00 0.25 0.00 0.00 55.06 56.97 1utd s HIS 34 Cb 0.08 0.34 0.00 0.00 -1.18 0.00 0.00 32.58 31.83 1utd s HIS 34 CO 0.56 -0.38 -0.09 0.45 -0.65 0.00 0.00 174.74 174.63 1utd s SER 35 N 0.81 3.96 -0.24 9.88 0.15 -1.26 -0.56 113.70 126.44 1utd s SER 35 Ca -0.04 -0.47 -0.11 0.00 0.70 0.00 0.00 55.95 56.03 1utd s SER 35 Cb -0.05 -1.66 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 1utd s SER 35 CO -0.06 -0.01 0.20 -0.70 1.20 0.00 0.00 173.24 173.86 1utd s GLU 36 N 1.42 4.06 -0.08 5.44 2.56 0.48 -4.91 118.70 127.67 1utd s GLU 36 Ca 0.06 -0.22 -0.22 0.00 0.00 0.00 0.00 54.97 54.58 1utd s GLU 36 Cb -0.14 -3.57 -0.04 0.00 2.00 0.00 0.00 34.13 32.39 1utd s GLU 36 CO -0.06 -0.01 0.64 0.21 -0.56 0.00 0.00 175.26 175.48 1utd s LYS 37 N 1.25 4.41 -0.10 4.30 2.36 -1.26 -0.44 119.74 130.26 1utd s LYS 37 Ca 0.09 0.76 0.04 0.00 -2.55 0.00 0.00 55.97 54.31 1utd s LYS 37 Cb -0.14 -3.44 0.00 0.00 -1.05 0.00 0.00 37.83 33.20 1utd s LYS 37 CO 0.06 0.09 -0.23 -0.51 1.55 0.00 0.00 175.35 176.32 1utd s LEU 38 N 0.74 2.05 0.58 5.43 1.43 0.87 -4.98 118.68 124.80 1utd s LEU 38 Ca 0.34 -0.54 0.04 0.00 -1.03 0.00 0.00 54.13 52.94 1utd s LEU 38 Cb -0.17 -1.37 0.07 0.00 0.03 0.00 0.00 46.19 44.75 1utd s LEU 38 CO 0.16 0.14 0.80 -1.81 0.23 0.00 0.00 176.35 175.87 1utd s ASP 39 N 0.44 5.04 0.20 2.29 1.01 -1.26 -1.75 116.67 122.64 1utd s ASP 39 Ca -0.17 -0.39 -0.32 0.00 0.71 0.00 0.00 52.55 52.38 1utd s ASP 39 Cb -0.17 -0.31 -0.12 0.00 1.01 0.00 0.00 42.92 43.33 1utd s ASP 39 CO 0.07 -1.32 1.72 1.17 0.21 0.00 0.00 175.17 177.02 1utd n LYS 40 N -2.37 2.73 0.00 8.23 4.81 -1.19 -1.73 118.16 128.64 1utd n LYS 40 Ca 0.12 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 1utd n LYS 40 Cb 0.60 -2.83 0.00 0.00 0.02 0.00 0.00 35.03 32.82 1utd n LYS 40 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1utd n GLY 41 N 3.94 2.28 3.79 3.14 0.00 0.30 -4.97 105.19 113.68 1utd n GLY 41 Ca 0.16 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.84 1utd n GLY 41 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1utd s GLU 42 N -0.42 3.87 -0.09 1.61 2.02 -0.70 -4.83 118.70 120.16 1utd s GLU 42 Ca 0.00 1.42 0.03 0.00 0.02 0.00 0.00 54.97 56.44 1utd s GLU 42 Cb 0.00 -2.20 0.01 0.00 0.10 0.00 0.00 34.13 32.03 1utd s GLU 42 CO 0.00 -0.38 -0.18 0.08 0.02 0.00 0.00 175.26 174.79 1utd s VAL 43 N -1.88 1.64 -0.11 2.63 1.01 -1.26 -1.56 120.40 120.87 1utd s VAL 43 Ca 0.65 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.86 1utd s VAL 43 Cb -0.18 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 1utd s VAL 43 CO 0.22 0.47 -0.11 -0.22 0.00 0.00 0.00 175.10 175.46 1utd s LEU 44 N 0.55 2.86 -0.20 3.92 2.96 0.23 -4.99 118.68 124.01 1utd s LEU 44 Ca -0.16 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.52 1utd s LEU 44 Cb -0.17 -1.64 0.02 0.00 0.50 0.00 0.00 46.19 44.91 1utd s LEU 44 CO 0.06 0.22 -0.16 -0.63 -1.32 0.00 0.00 176.35 174.52 1utd s ILE 45 N 0.00 2.30 -0.05 6.68 1.09 -1.26 0.03 121.20 129.99 1utd s ILE 45 Ca -0.03 -0.99 0.01 0.00 -1.10 0.00 0.00 60.65 58.55 1utd s ILE 45 Cb -0.14 -2.05 0.02 0.00 -1.06 0.00 0.00 42.46 39.23 1utd s ILE 45 CO 0.04 0.42 -0.06 0.00 -0.10 0.00 0.00 174.94 175.24 1utd s ALA 46 N 1.29 0.84 0.54 9.38 0.00 -0.24 -4.96 121.76 128.61 1utd s ALA 46 Ca 0.03 -0.17 -0.10 0.00 0.00 0.00 0.00 51.96 51.72 1utd s ALA 46 Cb -0.14 -0.51 -0.05 0.00 0.00 0.00 0.00 23.12 22.42 1utd s ALA 46 CO -0.10 -0.05 0.93 -0.65 0.00 0.00 0.00 175.76 175.89 1utd s GLN 47 N 0.99 3.67 0.32 0.00 -0.21 -1.26 -1.09 119.66 122.07 1utd s GLN 47 Ca -0.10 0.61 -0.27 0.00 0.02 0.00 0.00 55.36 55.62 1utd s GLN 47 Cb -0.14 -2.20 -0.09 0.00 1.00 0.00 0.00 33.01 31.57 1utd s GLN 47 CO -0.00 -0.36 1.03 -0.06 -2.12 0.00 0.00 175.29 173.78 1utd s PHE 48 N -2.87 3.58 0.35 0.91 0.08 -0.66 -4.94 117.98 114.43 1utd s PHE 48 Ca 0.53 1.74 -0.01 0.00 0.12 0.00 0.00 56.93 59.31 1utd s PHE 48 Cb -0.11 -3.12 0.00 0.00 -0.57 0.00 0.00 43.02 39.22 1utd s PHE 48 CO 0.45 -0.27 0.47 0.95 -0.10 0.00 0.00 175.22 176.72 1utd s THR 49 N -1.39 0.00 0.43 0.64 -4.23 -0.48 -4.70 115.64 105.91 1utd s THR 49 Ca 0.49 -1.63 0.17 0.00 -1.18 0.00 0.00 61.69 59.54 1utd s THR 49 Cb -0.26 -2.66 0.36 0.00 1.34 0.00 0.00 72.50 71.29 1utd s THR 49 CO 0.33 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.24 1utd h GLU 50 N 2.09 0.37 0.00 3.99 4.81 -2.03 -2.90 114.58 120.91 1utd h GLU 50 Ca -0.28 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1utd h GLU 50 Cb 1.24 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.53 1utd h GLU 50 CO 0.38 0.25 -1.29 0.72 -0.73 0.00 0.00 179.01 178.34 1utd n HIS 51 N -4.47 0.02 -3.86 0.92 8.25 -1.26 -4.60 115.22 110.23 1utd n HIS 51 Ca 0.15 0.01 -0.29 0.00 -0.26 0.00 0.00 57.72 57.33 1utd n HIS 51 Cb 0.56 -0.19 -0.16 0.00 1.12 0.00 0.00 29.99 31.31 1utd n HIS 51 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 1utd s THR 52 N -3.17 1.07 -0.73 1.59 2.01 -1.10 -2.14 115.64 113.17 1utd s THR 52 Ca 0.03 -0.83 0.07 0.00 0.31 0.00 0.00 61.69 61.27 1utd s THR 52 Cb 0.15 -1.39 0.12 0.00 0.01 0.00 0.00 72.50 71.39 1utd s THR 52 CO 0.87 -0.07 0.93 -1.54 -0.69 0.00 0.00 174.62 174.12 1utd n SER 53 N 4.86 2.05 -3.57 3.53 3.41 -0.98 -1.39 113.62 121.53 1utd n SER 53 Ca -0.11 -1.63 -0.17 0.00 -0.26 0.00 0.00 58.87 56.71 1utd n SER 53 Cb 0.46 -0.07 -0.07 0.00 -0.26 0.00 0.00 64.21 64.28 1utd n SER 53 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1utd s ALA 54 N -0.78 -1.66 -0.05 7.33 0.00 -1.24 -5.02 121.76 120.34 1utd s ALA 54 Ca 0.11 1.38 0.01 0.00 0.00 0.00 0.00 51.96 53.46 1utd s ALA 54 Cb 0.07 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.94 1utd s ALA 54 CO 0.09 -0.35 -0.06 0.42 0.00 0.00 0.00 175.76 175.87 1utd s ILE 55 N -0.82 0.67 -0.11 0.00 1.01 -1.26 -0.94 121.20 119.74 1utd s ILE 55 Ca -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 60.65 60.37 1utd s ILE 55 Cb -0.02 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1utd s ILE 55 CO 0.07 0.26 -0.07 -0.75 0.00 0.00 0.00 174.94 174.45 1utd s LYS 56 N 1.01 3.24 -0.17 2.79 2.20 -0.12 -4.96 119.74 123.74 1utd s LYS 56 Ca -0.09 -0.57 -0.01 0.00 -0.36 0.00 0.00 55.97 54.94 1utd s LYS 56 Cb -0.14 -2.72 -0.01 0.00 -1.51 0.00 0.00 37.83 33.45 1utd s LYS 56 CO -0.00 0.40 -0.12 0.08 -0.36 0.00 0.00 175.35 175.35 1utd s VAL 57 N -0.10 2.94 -0.13 4.02 1.01 -1.26 0.07 120.40 126.95 1utd s VAL 57 Ca 0.01 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.34 1utd s VAL 57 Cb -0.13 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 33.98 1utd s VAL 57 CO 0.03 0.50 -0.21 -0.13 0.00 0.00 0.00 175.10 175.29 1utd s ARG 58 N 0.87 3.10 0.00 2.72 0.52 -0.31 -4.95 118.95 120.89 1utd s ARG 58 Ca -0.03 -0.83 0.00 0.00 -0.52 0.00 0.00 55.73 54.35 1utd s ARG 58 Cb -0.15 -2.44 0.00 0.00 0.52 0.00 0.00 34.95 32.88 1utd s ARG 58 CO -0.00 0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.81 1utd n GLY 59 N 3.83 1.40 3.65 -3.53 0.00 -1.26 -1.34 105.19 107.94 1utd n GLY 59 Ca -0.19 -2.13 -0.43 0.00 0.00 0.00 0.00 46.02 43.27 1utd n GLY 59 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1utd s LYS 60 N -1.60 4.22 -0.02 1.61 2.20 -1.26 -3.89 119.74 121.00 1utd s LYS 60 Ca 0.00 1.23 -0.18 0.00 -0.36 0.00 0.00 55.97 56.66 1utd s LYS 60 Cb 0.00 -3.65 0.03 0.00 -1.51 0.00 0.00 37.83 32.70 1utd s LYS 60 CO 0.00 -0.62 0.39 0.00 -0.36 0.00 0.00 175.35 174.75 1utd s ALA 61 N 3.14 -0.99 -0.26 3.13 0.00 -0.78 -0.47 121.76 125.52 1utd s ALA 61 Ca 0.42 0.54 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 1utd s ALA 61 Cb -0.15 0.06 -0.05 0.00 0.00 0.00 0.00 23.12 22.98 1utd s ALA 61 CO 0.07 -0.28 0.17 -0.47 0.00 0.00 0.00 175.76 175.25 1utd s TYR 62 N -1.29 3.24 -0.08 0.00 5.04 -0.31 -1.77 117.35 122.19 1utd s TYR 62 Ca -0.13 0.12 0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1utd s TYR 62 Cb -0.04 -2.33 -0.01 0.00 0.35 0.00 0.00 41.96 39.93 1utd s TYR 62 CO 0.05 -0.09 -0.21 0.42 -1.34 0.00 0.00 175.55 174.38 1utd s ILE 63 N 1.50 2.42 -0.11 3.14 1.01 0.49 -1.38 121.20 128.27 1utd s ILE 63 Ca 0.07 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.81 1utd s ILE 63 Cb -0.15 -1.92 -0.02 0.00 0.01 0.00 0.00 42.46 40.38 1utd s ILE 63 CO 0.08 0.56 -0.14 -1.10 0.00 0.00 0.00 174.94 174.34 1utd s GLN 64 N -0.10 3.14 0.41 2.79 -0.21 -0.11 -1.24 119.66 124.35 1utd s GLN 64 Ca -0.04 -0.71 0.04 0.00 0.02 0.00 0.00 55.36 54.66 1utd s GLN 64 Cb -0.14 -2.54 -0.03 0.00 1.00 0.00 0.00 33.01 31.30 1utd s GLN 64 CO 0.04 0.31 0.12 0.95 -2.12 0.00 0.00 175.29 174.59 1utd s THR 65 N 0.10 0.67 0.60 -0.19 -4.23 -0.36 -1.10 115.64 111.13 1utd s THR 65 Ca -0.06 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1utd s THR 65 Cb -0.15 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.68 1utd s THR 65 CO 0.05 0.00 1.80 -0.09 -0.54 0.00 0.00 174.62 175.83 1utd h ARG 66 N 1.80 0.00 -0.02 3.99 2.43 -2.01 -0.23 114.38 120.34 1utd h ARG 66 Ca -0.36 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.81 1utd h ARG 66 Cb 1.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.82 1utd h ARG 66 CO 0.59 0.00 -0.03 0.72 -1.51 0.00 0.00 179.97 179.74 1utd n HIS 67 N -3.52 0.00 0.00 2.20 8.25 -1.26 -5.04 115.22 115.85 1utd n HIS 67 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.55 1utd n HIS 67 Cb 0.77 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.87 1utd n HIS 67 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1utd n GLY 68 N 1.25 0.53 3.81 -1.41 0.00 -0.10 -5.04 105.19 104.23 1utd n GLY 68 Ca 0.17 -2.20 -0.38 0.00 0.00 0.00 0.00 46.02 43.61 1utd n GLY 68 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1utd s VAL 69 N -0.31 4.98 0.05 1.61 1.01 -1.26 -1.22 120.40 125.26 1utd s VAL 69 Ca 0.00 0.96 0.01 0.00 0.00 0.00 0.00 61.98 62.94 1utd s VAL 69 Cb 0.00 -3.78 -0.03 0.00 0.00 0.00 0.00 36.38 32.57 1utd s VAL 69 CO 0.00 0.53 -0.05 -0.51 0.00 0.00 0.00 175.10 175.07 1utd s ILE 70 N -0.78 0.38 -0.12 2.22 1.10 -0.37 -5.01 121.20 118.62 1utd s ILE 70 Ca 0.25 -1.50 0.02 0.00 -0.51 0.00 0.00 60.65 58.91 1utd s ILE 70 Cb -0.17 -1.10 0.02 0.00 0.15 0.00 0.00 42.46 41.35 1utd s ILE 70 CO 0.14 -0.73 -0.16 -1.61 -2.11 0.00 0.00 174.94 170.47 1utd s GLU 71 N -2.89 2.32 0.34 3.50 2.02 -1.26 -0.38 118.70 122.36 1utd s GLU 71 Ca -0.00 -0.59 -0.19 0.00 0.02 0.00 0.00 54.97 54.20 1utd s GLU 71 Cb -0.00 -1.98 -0.10 0.00 0.10 0.00 0.00 34.13 32.15 1utd s GLU 71 CO -0.05 -0.08 0.84 -1.54 0.02 0.00 0.00 175.26 174.45 1utd s SER 72 N 1.04 6.95 -0.02 -0.19 1.04 -0.73 -4.93 113.70 116.87 1utd s SER 72 Ca -0.05 1.52 0.07 0.00 0.48 0.00 0.00 55.95 57.97 1utd s SER 72 Cb -0.15 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.49 1utd s SER 72 CO -0.03 -0.20 -0.23 -1.61 0.98 0.00 0.00 173.24 172.15 1utd s GLU 73 N -2.77 1.87 0.00 4.02 2.02 -1.25 -1.87 118.70 120.72 1utd s GLU 73 Ca 0.55 -0.83 0.16 0.00 0.02 0.00 0.00 54.97 54.86 1utd s GLU 73 Cb -0.12 -1.81 0.94 0.00 0.10 0.00 0.00 34.13 33.24 1utd s GLU 73 CO 0.17 0.50 1.35 0.41 0.02 0.00 0.00 175.26 177.71