#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 3.21 -4.56 3.42 4.05 -1.26 -5.05 115.26 115.07 1utd n ASN 6 Ca 0.00 -1.94 -0.31 0.00 0.45 0.00 0.00 54.58 52.79 1utd n ASN 6 Cb 0.00 -0.19 0.19 0.00 1.23 0.00 0.00 39.78 41.01 1utd n ASN 6 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 177.26 173.01 1utd n SER 7 N 1.31 -0.74 -4.55 1.20 7.64 -1.26 -5.01 113.62 112.21 1utd n SER 7 Ca 0.17 0.20 -0.31 0.00 1.01 0.00 0.00 58.87 59.94 1utd n SER 7 Cb 0.56 -1.35 0.19 0.00 -1.01 0.00 0.00 64.21 62.60 1utd n SER 7 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1utd n ASP 8 N -3.97 -0.75 -3.97 6.43 8.00 -1.26 -4.84 116.55 116.19 1utd n ASP 8 Ca 0.08 0.21 -0.09 0.00 0.71 0.00 0.00 54.79 55.70 1utd n ASP 8 Cb 0.53 -1.35 -0.09 0.00 -0.02 0.00 0.00 41.12 40.19 1utd n ASP 8 CO 0.00 0.00 0.00 0.72 -0.39 0.00 0.00 177.20 177.53 1utd s PHE 9 N -2.51 0.28 0.08 1.24 -0.12 -1.26 -1.98 117.98 113.70 1utd s PHE 9 Ca 0.65 -0.65 0.08 0.00 -0.05 0.00 0.00 56.93 56.97 1utd s PHE 9 Cb -0.23 -0.20 -0.04 0.00 -0.63 0.00 0.00 43.02 41.93 1utd s PHE 9 CO 0.62 -0.37 -0.20 0.14 -0.05 0.00 0.00 175.22 175.37 1utd s VAL 10 N -2.90 2.70 -0.18 -2.49 -7.23 0.27 -4.58 120.40 105.98 1utd s VAL 10 Ca -0.02 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 58.72 1utd s VAL 10 Cb 0.01 -2.17 -0.03 0.00 0.56 0.00 0.00 36.38 34.74 1utd s VAL 10 CO -0.06 0.23 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.26 1utd s VAL 11 N -1.01 4.04 -0.13 1.32 1.01 -0.55 -0.67 120.40 124.41 1utd s VAL 11 Ca 0.16 -0.29 0.01 0.00 0.00 0.00 0.00 61.98 61.86 1utd s VAL 11 Cb -0.10 -2.81 0.02 0.00 0.00 0.00 0.00 36.38 33.48 1utd s VAL 11 CO 0.07 0.45 -0.17 -0.63 0.00 0.00 0.00 175.10 174.83 1utd s ILE 12 N 0.70 1.67 -0.25 2.22 1.01 0.17 -1.38 121.20 125.34 1utd s ILE 12 Ca -0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 60.65 59.87 1utd s ILE 12 Cb -0.14 -1.53 -0.00 0.00 0.01 0.00 0.00 42.46 40.80 1utd s ILE 12 CO 0.02 0.48 -0.00 -0.75 0.00 0.00 0.00 174.94 174.68 1utd s LYS 13 N 1.13 3.26 0.03 2.79 2.20 -0.12 -0.21 119.74 128.82 1utd s LYS 13 Ca -0.02 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.57 1utd s LYS 13 Cb -0.14 -3.13 -0.07 0.00 -1.51 0.00 0.00 37.83 32.98 1utd s LYS 13 CO -0.05 -0.29 1.54 0.00 -0.36 0.00 0.00 175.35 176.19 1utd s ALA 14 N 1.48 3.64 -2.73 3.13 0.00 -0.66 -0.79 121.76 125.82 1utd s ALA 14 Ca 0.04 1.04 0.24 0.00 0.00 0.00 0.00 51.96 53.29 1utd s ALA 14 Cb -0.15 -3.66 0.30 0.00 0.00 0.00 0.00 23.12 19.61 1utd s ALA 14 CO -0.01 -1.05 1.31 1.28 0.00 0.00 0.00 175.76 177.29 1utd n LEU 15 N 5.63 2.56 -4.00 0.00 4.77 0.93 0.31 117.00 127.20 1utd n LEU 15 Ca 0.15 -0.86 -0.09 0.00 -0.03 0.00 0.00 56.01 55.17 1utd n LEU 15 Cb 0.42 -0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.45 1utd n LEU 15 CO 0.61 0.43 0.18 -1.83 -1.33 0.00 0.00 177.39 175.45 1utd s GLU 16 N -2.09 1.56 0.54 3.23 -1.05 -1.22 -4.86 118.70 114.80 1utd s GLU 16 Ca 0.28 -1.27 -0.20 0.00 -0.15 0.00 0.00 54.97 53.63 1utd s GLU 16 Cb 0.20 0.47 -0.06 0.00 -0.44 0.00 0.00 34.13 34.30 1utd s GLU 16 CO 0.36 -0.65 1.16 -0.51 0.95 0.00 0.00 175.26 176.56 1utd s ASP 17 N -3.03 5.68 0.00 0.83 1.01 -1.26 -2.90 116.67 117.00 1utd s ASP 17 Ca 0.23 2.26 0.00 0.00 0.71 0.00 0.00 52.55 55.75 1utd s ASP 17 Cb -0.01 -2.59 0.00 0.00 1.01 0.00 0.00 42.92 41.33 1utd s ASP 17 CO 0.09 -1.25 0.00 0.61 0.21 0.00 0.00 175.17 174.83 1utd n GLY 18 N 0.30 0.40 3.73 0.21 0.00 -0.70 -4.87 105.19 104.26 1utd n GLY 18 Ca 0.11 -1.00 -0.42 0.00 0.00 0.00 0.00 46.02 44.72 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 3.38 -0.23 1.61 1.01 -0.54 -4.82 120.40 118.81 1utd s VAL 19 Ca 0.00 1.09 -0.06 0.00 0.00 0.00 0.00 61.98 63.01 1utd s VAL 19 Cb 0.00 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.66 1utd s VAL 19 CO 0.00 0.14 0.03 0.20 0.00 0.00 0.00 175.10 175.47 1utd s ASN 20 N 0.51 4.90 -0.37 3.32 0.01 0.00 0.29 114.94 123.61 1utd s ASN 20 Ca 0.58 -0.24 -0.11 0.00 -0.71 0.00 0.00 52.86 52.37 1utd s ASN 20 Cb -0.35 -1.86 0.02 0.00 0.41 0.00 0.00 41.25 39.47 1utd s ASN 20 CO 0.35 -0.01 0.21 -0.69 -1.51 0.00 0.00 177.10 175.46 1utd s VAL 21 N 1.46 4.68 -0.19 1.60 1.01 0.27 -1.04 120.40 128.19 1utd s VAL 21 Ca 0.05 -0.76 -0.04 0.00 0.00 0.00 0.00 61.98 61.23 1utd s VAL 21 Cb -0.15 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1utd s VAL 21 CO 0.02 -0.20 -0.02 -0.63 0.00 0.00 0.00 175.10 174.27 1utd s ILE 22 N 1.58 3.83 -0.12 2.22 1.01 0.43 -0.39 121.20 129.76 1utd s ILE 22 Ca 0.03 -0.36 -0.18 0.00 0.00 0.00 0.00 60.65 60.14 1utd s ILE 22 Cb -0.19 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.52 1utd s ILE 22 CO 0.07 0.44 0.46 -0.83 0.00 0.00 0.00 174.94 175.08 1utd s GLY 23 N 0.96 2.37 -0.12 6.18 0.00 0.07 -0.86 107.32 115.92 1utd s GLY 23 Ca 0.01 -0.22 -0.06 0.00 0.00 0.00 0.00 44.72 44.45 1utd s GLY 23 CO 0.01 0.75 0.12 1.08 0.00 0.00 0.00 173.10 175.06 1utd s LEU 24 N 0.64 4.24 0.25 0.66 1.02 -0.18 -0.95 118.68 124.36 1utd s LEU 24 Ca 0.25 0.39 -0.30 0.00 0.02 0.00 0.00 54.13 54.49 1utd s LEU 24 Cb -0.15 -2.03 -0.11 0.00 0.02 0.00 0.00 46.19 43.92 1utd s LEU 24 CO 0.10 0.38 1.54 0.42 0.02 0.00 0.00 176.35 178.81 1utd s THR 25 N -0.86 2.39 0.30 5.49 -4.23 0.01 -2.45 115.64 116.29 1utd s THR 25 Ca 0.14 0.32 -0.29 0.00 -1.18 0.00 0.00 61.69 60.67 1utd s THR 25 Cb -0.12 -3.20 -0.10 0.00 1.34 0.00 0.00 72.50 70.42 1utd s THR 25 CO 0.03 0.04 1.20 -0.60 -0.54 0.00 0.00 174.62 174.75 1utd s ARG 26 N -0.02 4.51 0.00 3.99 3.52 -0.56 -4.61 118.95 125.77 1utd s ARG 26 Ca 0.64 1.99 0.00 0.00 -0.13 0.00 0.00 55.73 58.23 1utd s ARG 26 Cb -0.45 -3.14 0.00 0.00 -1.56 0.00 0.00 34.95 29.80 1utd s ARG 26 CO 0.42 0.02 0.00 0.41 -0.81 0.00 0.00 175.30 175.34 1utd n GLY 27 N 1.08 0.62 0.22 8.12 0.00 -1.26 -4.79 105.19 109.18 1utd n GLY 27 Ca -0.00 -2.11 -0.00 0.00 0.00 0.00 0.00 46.02 43.90 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 1.29 -2.91 4.61 0.00 -2.05 -3.42 119.26 116.78 1utd h ALA 28 Ca 0.00 -0.31 -0.65 0.00 0.00 0.00 0.00 54.91 53.95 1utd h ALA 28 Cb 0.00 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.63 1utd h ALA 28 CO 0.00 0.48 -0.52 -0.51 0.00 0.00 0.00 179.25 178.70 1utd s ASP 29 N -6.87 6.11 -0.24 0.00 1.01 -1.26 -5.09 116.67 110.33 1utd s ASP 29 Ca -0.05 0.28 0.02 0.00 0.71 0.00 0.00 52.55 53.51 1utd s ASP 29 Cb 0.14 -1.87 0.06 0.00 1.01 0.00 0.00 42.92 42.26 1utd s ASP 29 CO 0.76 0.28 -0.10 -0.89 0.21 0.00 0.00 175.17 175.43 1utd s THR 30 N -1.25 1.89 0.20 -1.27 2.01 -1.26 -4.63 115.64 111.32 1utd s THR 30 Ca 0.25 -1.38 -0.09 0.00 0.31 0.00 0.00 61.69 60.78 1utd s THR 30 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 1utd s THR 30 CO 0.16 0.01 0.31 0.00 -0.69 0.00 0.00 174.62 174.41 1utd s ARG 31 N 1.25 1.29 0.02 4.92 1.70 -1.26 -4.94 118.95 121.93 1utd s ARG 31 Ca -0.06 -1.29 -0.30 0.00 -0.47 0.00 0.00 55.73 53.61 1utd s ARG 31 Cb -0.19 0.39 -0.04 0.00 -0.57 0.00 0.00 34.95 34.54 1utd s ARG 31 CO -0.06 -0.49 1.00 -0.06 -1.08 0.00 0.00 175.30 174.61 1utd s PHE 32 N -4.02 3.66 -0.22 5.89 0.08 -1.26 -0.81 117.98 121.29 1utd s PHE 32 Ca 0.23 1.67 0.14 0.00 0.12 0.00 0.00 56.93 59.09 1utd s PHE 32 Cb 0.03 -3.14 -0.20 0.00 -0.57 0.00 0.00 43.02 39.14 1utd s PHE 32 CO 0.05 -0.11 0.40 -2.39 -0.10 0.00 0.00 175.22 173.06 1utd n HIS 33 N 3.75 0.00 -3.63 0.36 1.44 -0.12 -4.92 115.22 112.10 1utd n HIS 33 Ca 0.06 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.62 1utd n HIS 33 Cb 0.50 -0.22 -0.07 0.00 0.12 0.00 0.00 29.99 30.32 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 -2.75 -0.75 -0.18 -1.40 5.65 -1.24 -5.02 115.29 109.60 1utd s HIS 34 Ca -0.02 1.78 0.01 0.00 0.25 0.00 0.00 55.06 57.08 1utd s HIS 34 Cb 0.09 0.27 0.03 0.00 -1.18 0.00 0.00 32.58 31.80 1utd s HIS 34 CO 0.58 -0.39 -0.16 0.45 -0.65 0.00 0.00 174.74 174.56 1utd s SER 35 N 0.20 3.22 -0.29 9.88 0.15 -1.26 -0.75 113.70 124.86 1utd s SER 35 Ca -0.01 -0.73 -0.15 0.00 0.70 0.00 0.00 55.95 55.76 1utd s SER 35 Cb -0.04 -1.38 -0.03 0.00 -1.71 0.00 0.00 66.02 62.85 1utd s SER 35 CO 0.02 -0.06 0.36 -0.70 1.20 0.00 0.00 173.24 174.06 1utd s GLU 36 N 1.33 3.88 -0.16 5.44 2.56 0.48 -4.90 118.70 127.34 1utd s GLU 36 Ca 0.02 -0.12 -0.22 0.00 0.00 0.00 0.00 54.97 54.66 1utd s GLU 36 Cb -0.14 -3.70 -0.03 0.00 2.00 0.00 0.00 34.13 32.26 1utd s GLU 36 CO -0.11 -0.34 0.68 0.15 -0.56 0.00 0.00 175.26 175.08 1utd s LYS 37 N 2.04 4.29 -0.10 4.30 1.02 -1.26 -0.56 119.74 129.47 1utd s LYS 37 Ca 0.14 0.76 0.01 0.00 0.02 0.00 0.00 55.97 56.89 1utd s LYS 37 Cb -0.16 -3.54 -0.02 0.00 -0.52 0.00 0.00 37.83 33.59 1utd s LYS 37 CO 0.11 -0.17 -0.11 -0.51 -0.92 0.00 0.00 175.35 173.75 1utd s LEU 38 N 1.63 2.85 0.38 3.17 1.43 0.15 -4.96 118.68 123.32 1utd s LEU 38 Ca 0.33 -0.22 0.04 0.00 -1.03 0.00 0.00 54.13 53.25 1utd s LEU 38 Cb -0.16 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.43 1utd s LEU 38 CO 0.13 0.24 0.55 -1.81 0.23 0.00 0.00 176.35 175.69 1utd s ASP 39 N -0.11 5.90 -0.03 2.29 1.01 -1.26 -1.46 116.67 123.01 1utd s ASP 39 Ca -0.01 -0.02 -0.37 0.00 0.71 0.00 0.00 52.55 52.87 1utd s ASP 39 Cb -0.14 -1.32 -0.15 0.00 1.01 0.00 0.00 42.92 42.32 1utd s ASP 39 CO 0.03 -0.55 1.61 1.17 0.21 0.00 0.00 175.17 177.64 1utd n LYS 40 N -1.81 1.56 0.00 8.23 4.81 -1.14 -1.56 118.16 128.25 1utd n LYS 40 Ca 0.01 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 58.01 1utd n LYS 40 Cb 0.58 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.34 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 3.53 2.11 3.78 3.14 0.00 0.15 -4.96 105.19 112.94 1utd n GLY 41 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.65 3.42 -0.10 1.61 2.02 -0.60 -4.79 118.70 119.61 1utd s GLU 42 Ca 0.00 1.55 0.03 0.00 0.02 0.00 0.00 54.97 56.57 1utd s GLU 42 Cb 0.00 -2.02 0.01 0.00 0.10 0.00 0.00 34.13 32.22 1utd s GLU 42 CO 0.00 -0.78 -0.19 0.08 0.02 0.00 0.00 175.26 174.39 1utd s VAL 43 N -1.84 1.70 -0.12 2.63 1.01 -1.26 -1.65 120.40 120.87 1utd s VAL 43 Ca 0.71 -0.80 0.00 0.00 0.00 0.00 0.00 61.98 61.90 1utd s VAL 43 Cb -0.22 -1.51 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1utd s VAL 43 CO 0.26 0.48 -0.13 -0.22 0.00 0.00 0.00 175.10 175.49 1utd s LEU 44 N 0.62 2.74 -0.28 3.92 2.96 0.71 -4.97 118.68 124.37 1utd s LEU 44 Ca -0.14 -0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 1utd s LEU 44 Cb -0.16 -1.61 0.04 0.00 0.50 0.00 0.00 46.19 44.96 1utd s LEU 44 CO 0.04 0.18 -0.03 -0.63 -1.32 0.00 0.00 176.35 174.60 1utd s ILE 45 N 0.25 2.88 -0.09 6.68 1.09 -1.26 0.42 121.20 131.17 1utd s ILE 45 Ca -0.09 -1.31 0.02 0.00 -1.10 0.00 0.00 60.65 58.18 1utd s ILE 45 Cb -0.15 -2.61 0.01 0.00 -1.06 0.00 0.00 42.46 38.65 1utd s ILE 45 CO 0.05 -0.01 -0.15 0.00 -0.10 0.00 0.00 174.94 174.73 1utd s ALA 46 N 1.26 1.56 0.49 9.38 0.00 0.15 -4.95 121.76 129.65 1utd s ALA 46 Ca -0.04 -0.62 -0.11 0.00 0.00 0.00 0.00 51.96 51.19 1utd s ALA 46 Cb -0.19 -0.70 -0.06 0.00 0.00 0.00 0.00 23.12 22.17 1utd s ALA 46 CO -0.02 0.07 0.88 -0.65 0.00 0.00 0.00 175.76 176.04 1utd s GLN 47 N 0.74 3.74 0.34 0.00 -0.21 -1.26 -0.57 119.66 122.44 1utd s GLN 47 Ca -0.12 0.60 -0.26 0.00 0.02 0.00 0.00 55.36 55.60 1utd s GLN 47 Cb -0.16 -2.25 -0.09 0.00 1.00 0.00 0.00 33.01 31.50 1utd s GLN 47 CO 0.03 -0.25 1.03 -0.06 -2.12 0.00 0.00 175.29 173.93 1utd s PHE 48 N -2.69 3.48 0.31 0.91 0.08 -0.84 -4.94 117.98 114.30 1utd s PHE 48 Ca 0.53 1.71 0.01 0.00 0.12 0.00 0.00 56.93 59.30 1utd s PHE 48 Cb -0.10 -3.12 -0.02 0.00 -0.57 0.00 0.00 43.02 39.21 1utd s PHE 48 CO 0.39 -0.37 0.36 0.95 -0.10 0.00 0.00 175.22 176.45 1utd s THR 49 N -1.49 0.00 0.51 0.64 -4.23 -0.36 -4.67 115.64 106.05 1utd s THR 49 Ca 0.52 -1.79 0.34 0.00 -1.18 0.00 0.00 61.69 59.58 1utd s THR 49 Cb -0.24 -2.55 0.53 0.00 1.34 0.00 0.00 72.50 71.58 1utd s THR 49 CO 0.31 0.00 1.79 -0.08 -0.54 0.00 0.00 174.62 176.09 1utd h GLU 50 N 2.19 0.07 0.00 3.99 4.81 -2.02 -2.91 114.58 120.71 1utd h GLU 50 Ca -0.28 -0.00 -0.04 0.00 -0.13 0.00 0.00 59.36 58.91 1utd h GLU 50 Cb 1.24 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 1utd h GLU 50 CO 0.39 0.05 -1.75 0.72 -0.73 0.00 0.00 179.01 177.70 1utd n HIS 51 N -4.27 0.00 -4.08 0.92 8.25 -1.26 -4.61 115.22 110.17 1utd n HIS 51 Ca 0.26 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.40 1utd n HIS 51 Cb 1.21 -0.40 -0.15 0.00 1.12 0.00 0.00 29.99 31.77 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 -2.97 2.15 -0.92 1.59 2.01 -1.10 -1.50 115.64 114.90 1utd s THR 52 Ca -0.06 -1.41 0.07 0.00 0.31 0.00 0.00 61.69 60.61 1utd s THR 52 Cb 0.09 -2.15 0.07 0.00 0.01 0.00 0.00 72.50 70.52 1utd s THR 52 CO 0.63 0.16 0.77 -1.54 -0.69 0.00 0.00 174.62 173.95 1utd n SER 53 N 4.50 1.70 -3.59 3.53 3.41 -1.02 -1.22 113.62 120.93 1utd n SER 53 Ca -0.16 -1.37 -0.16 0.00 -0.26 0.00 0.00 58.87 56.92 1utd n SER 53 Cb 0.45 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.32 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 -0.66 -1.61 -0.06 7.33 0.00 -1.24 -5.02 121.76 120.51 1utd s ALA 54 Ca 0.09 1.35 0.01 0.00 0.00 0.00 0.00 51.96 53.41 1utd s ALA 54 Cb 0.06 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1utd s ALA 54 CO 0.09 -0.34 -0.05 0.42 0.00 0.00 0.00 175.76 175.89 1utd s ILE 55 N -0.77 0.64 -0.13 0.00 1.01 -1.26 -1.01 121.20 119.67 1utd s ILE 55 Ca -0.08 -0.14 -0.01 0.00 0.00 0.00 0.00 60.65 60.42 1utd s ILE 55 Cb -0.02 -0.67 -0.02 0.00 0.01 0.00 0.00 42.46 41.76 1utd s ILE 55 CO 0.07 0.26 -0.08 -0.75 0.00 0.00 0.00 174.94 174.44 1utd s LYS 56 N 1.17 3.35 -0.16 2.79 2.20 -0.04 -4.96 119.74 124.09 1utd s LYS 56 Ca -0.07 -0.59 -0.02 0.00 -0.36 0.00 0.00 55.97 54.93 1utd s LYS 56 Cb -0.14 -2.73 -0.01 0.00 -1.51 0.00 0.00 37.83 33.44 1utd s LYS 56 CO -0.01 0.33 -0.09 0.08 -0.36 0.00 0.00 175.35 175.29 1utd s VAL 57 N 0.10 3.27 -0.12 4.02 1.01 -1.26 -0.43 120.40 126.98 1utd s VAL 57 Ca -0.03 -0.57 0.03 0.00 0.00 0.00 0.00 61.98 61.41 1utd s VAL 57 Cb -0.14 -2.42 0.01 0.00 0.00 0.00 0.00 36.38 33.83 1utd s VAL 57 CO 0.04 0.49 -0.22 -0.60 0.00 0.00 0.00 175.10 174.81 1utd s ARG 58 N 0.68 2.97 0.00 2.72 3.52 -0.20 -4.95 118.95 123.69 1utd s ARG 58 Ca -0.05 -0.84 0.00 0.00 -0.13 0.00 0.00 55.73 54.71 1utd s ARG 58 Cb -0.15 -2.34 0.00 0.00 -1.56 0.00 0.00 34.95 30.90 1utd s ARG 58 CO 0.02 0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.98 1utd n GLY 59 N 3.87 1.39 3.62 8.12 0.00 -1.26 -0.82 105.19 120.12 1utd n GLY 59 Ca -0.20 -2.15 -0.43 0.00 0.00 0.00 0.00 46.02 43.25 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 -1.56 3.85 0.03 1.61 2.20 -1.26 -3.64 119.74 120.98 1utd s LYS 60 Ca 0.00 1.18 -0.05 0.00 -0.36 0.00 0.00 55.97 56.74 1utd s LYS 60 Cb 0.00 -3.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.40 1utd s LYS 60 CO 0.00 -1.21 0.08 0.00 -0.36 0.00 0.00 175.35 173.87 1utd s ALA 61 N 4.56 -0.05 -0.22 3.13 0.00 -1.03 -0.05 121.76 128.11 1utd s ALA 61 Ca 0.57 -0.53 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 1utd s ALA 61 Cb -0.16 0.22 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1utd s ALA 61 CO 0.25 -0.29 0.11 -0.47 0.00 0.00 0.00 175.76 175.36 1utd s TYR 62 N -2.36 3.27 -0.07 0.00 5.04 0.03 -2.02 117.35 121.25 1utd s TYR 62 Ca -0.07 0.10 0.04 0.00 -2.44 0.00 0.00 57.07 54.70 1utd s TYR 62 Cb -0.03 -2.19 -0.00 0.00 0.35 0.00 0.00 41.96 40.10 1utd s TYR 62 CO -0.04 0.07 -0.21 0.42 -1.34 0.00 0.00 175.55 174.45 1utd s ILE 63 N 0.81 1.76 -0.09 3.14 1.01 0.48 -0.94 121.20 127.36 1utd s ILE 63 Ca 0.06 -0.87 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1utd s ILE 63 Cb -0.13 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.82 1utd s ILE 63 CO 0.02 0.49 -0.21 -1.10 0.00 0.00 0.00 174.94 174.15 1utd s GLN 64 N 0.16 2.99 0.37 2.79 -0.21 -0.48 -1.04 119.66 124.24 1utd s GLN 64 Ca -0.10 -0.82 0.04 0.00 0.02 0.00 0.00 55.36 54.50 1utd s GLN 64 Cb -0.15 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1utd s GLN 64 CO 0.05 0.27 0.14 0.95 -2.12 0.00 0.00 175.29 174.58 1utd s THR 65 N 0.15 0.53 0.58 -0.19 -4.23 -0.31 -1.49 115.64 110.68 1utd s THR 65 Ca -0.11 -2.00 0.30 0.00 -1.18 0.00 0.00 61.69 58.70 1utd s THR 65 Cb -0.16 -2.43 0.42 0.00 1.34 0.00 0.00 72.50 71.67 1utd s THR 65 CO 0.06 0.00 1.81 -0.09 -0.54 0.00 0.00 174.62 175.86 1utd h ARG 66 N 1.93 0.00 -0.05 3.99 2.43 -2.01 -0.78 114.38 119.89 1utd h ARG 66 Ca -0.34 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.83 1utd h ARG 66 Cb 1.26 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.81 1utd h ARG 66 CO 0.55 0.00 0.00 0.72 -1.51 0.00 0.00 179.97 179.73 1utd n HIS 67 N -3.78 0.04 0.00 2.20 8.25 -1.26 -5.05 115.22 115.62 1utd n HIS 67 Ca 0.14 -0.02 0.00 0.00 -0.26 0.00 0.00 57.72 57.58 1utd n HIS 67 Cb 0.90 0.00 0.00 0.00 1.12 0.00 0.00 29.99 32.01 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 1.23 0.55 3.82 -1.41 0.00 -0.30 -5.04 105.19 104.04 1utd n GLY 68 Ca 0.17 -2.27 -0.38 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.12 4.97 0.02 1.61 1.01 -1.26 -1.16 120.40 125.46 1utd s VAL 69 Ca 0.00 0.95 -0.02 0.00 0.00 0.00 0.00 61.98 62.91 1utd s VAL 69 Cb 0.00 -3.77 -0.02 0.00 0.00 0.00 0.00 36.38 32.59 1utd s VAL 69 CO 0.00 0.54 0.02 -0.51 0.00 0.00 0.00 175.10 175.15 1utd s ILE 70 N -0.88 0.12 -0.10 2.22 1.10 -0.20 -5.02 121.20 118.44 1utd s ILE 70 Ca 0.25 -1.00 0.03 0.00 -0.51 0.00 0.00 60.65 59.43 1utd s ILE 70 Cb -0.17 -0.52 0.00 0.00 0.15 0.00 0.00 42.46 41.92 1utd s ILE 70 CO 0.14 -0.55 -0.21 -1.61 -2.11 0.00 0.00 174.94 170.60 1utd s GLU 71 N -1.88 2.77 0.36 3.50 2.02 -1.26 -0.39 118.70 123.82 1utd s GLU 71 Ca -0.12 -0.78 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 1utd s GLU 71 Cb -0.06 -2.14 -0.07 0.00 0.10 0.00 0.00 34.13 31.96 1utd s GLU 71 CO -0.02 0.12 0.72 -1.54 0.02 0.00 0.00 175.26 174.56 1utd s SER 72 N 0.48 6.56 -0.02 -0.19 1.04 -0.86 -4.95 113.70 115.76 1utd s SER 72 Ca -0.16 1.08 0.06 0.00 0.48 0.00 0.00 55.95 57.40 1utd s SER 72 Cb -0.17 -2.30 -0.01 0.00 0.10 0.00 0.00 66.02 63.64 1utd s SER 72 CO 0.06 -0.31 -0.19 -1.61 0.98 0.00 0.00 173.24 172.17 1utd s GLU 73 N -3.59 1.66 0.91 4.02 2.02 -1.24 -2.45 118.70 120.03 1utd s GLU 73 Ca 0.50 -0.68 -0.15 0.00 0.02 0.00 0.00 54.97 54.66 1utd s GLU 73 Cb -0.10 -1.55 0.21 0.00 0.10 0.00 0.00 34.13 32.79 1utd s GLU 73 CO 0.28 0.37 1.19 0.41 0.02 0.00 0.00 175.26 177.53 1utd n GLY 74 N 2.76 -1.59 3.51 -1.39 0.00 -1.25 -4.37 105.19 102.85 1utd n GLY 74 Ca -0.16 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1utd n GLY 74 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49