#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 6.18 -4.06 3.42 4.05 -1.26 -5.04 115.26 118.55 1utd n ASN 6 Ca 0.00 -3.78 -0.29 0.00 0.45 0.00 0.00 54.58 50.96 1utd n ASN 6 Cb 0.00 -0.74 0.24 0.00 1.23 0.00 0.00 39.78 40.51 1utd n ASN 6 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 177.26 173.77 1utd s SER 7 N -2.39 0.79 0.81 1.20 0.01 -1.26 -5.04 113.70 107.83 1utd s SER 7 Ca 0.52 0.98 -0.11 0.00 1.31 0.00 0.00 55.95 58.64 1utd s SER 7 Cb 0.43 -1.46 0.08 0.00 0.21 0.00 0.00 66.02 65.27 1utd s SER 7 CO -0.24 -4.24 1.09 -1.81 0.41 0.00 0.00 173.24 168.45 1utd s ASP 8 N -3.33 4.25 0.08 2.44 1.01 -1.26 -4.89 116.67 114.98 1utd s ASP 8 Ca 0.69 1.50 0.01 0.00 0.71 0.00 0.00 52.55 55.45 1utd s ASP 8 Cb -0.16 -2.23 -0.04 0.00 1.01 0.00 0.00 42.92 41.50 1utd s ASP 8 CO 0.59 -2.15 -0.04 0.72 0.21 0.00 0.00 175.17 174.49 1utd s PHE 9 N -3.02 0.76 0.04 4.23 -0.12 -1.26 -1.91 117.98 116.70 1utd s PHE 9 Ca 0.61 -0.99 0.09 0.00 -0.05 0.00 0.00 56.93 56.59 1utd s PHE 9 Cb -0.16 -0.47 -0.03 0.00 -0.63 0.00 0.00 43.02 41.73 1utd s PHE 9 CO 0.56 -0.25 -0.24 0.14 -0.05 0.00 0.00 175.22 175.37 1utd s VAL 10 N -3.75 2.31 -0.22 -2.49 -7.23 -0.03 -4.57 120.40 104.42 1utd s VAL 10 Ca 0.11 -1.34 -0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1utd s VAL 10 Cb 0.06 -1.92 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 1utd s VAL 10 CO -0.06 0.36 0.08 -0.69 -0.31 0.00 0.00 175.10 174.48 1utd s VAL 11 N -0.84 4.69 -0.18 1.32 1.01 -0.21 -1.00 120.40 125.18 1utd s VAL 11 Ca 0.12 -0.06 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1utd s VAL 11 Cb -0.10 -3.16 0.02 0.00 0.00 0.00 0.00 36.38 33.15 1utd s VAL 11 CO 0.03 0.39 -0.19 -0.63 0.00 0.00 0.00 175.10 174.70 1utd s ILE 12 N 0.99 2.01 -0.26 2.22 1.09 0.11 -0.91 121.20 126.46 1utd s ILE 12 Ca 0.04 -0.95 -0.06 0.00 -1.10 0.00 0.00 60.65 58.59 1utd s ILE 12 Cb -0.14 -1.84 -0.01 0.00 -1.06 0.00 0.00 42.46 39.41 1utd s ILE 12 CO 0.03 0.49 0.03 -0.75 -0.10 0.00 0.00 174.94 174.64 1utd s LYS 13 N 1.30 3.31 0.11 2.79 2.20 -0.30 -0.54 119.74 128.62 1utd s LYS 13 Ca 0.04 -0.69 -0.31 0.00 -0.36 0.00 0.00 55.97 54.65 1utd s LYS 13 Cb -0.13 -3.22 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 1utd s LYS 13 CO -0.12 -0.30 1.67 0.00 -0.36 0.00 0.00 175.35 176.25 1utd s ALA 14 N 1.51 3.74 -2.26 3.13 0.00 -0.90 -0.95 121.76 126.03 1utd s ALA 14 Ca 0.04 1.32 0.24 0.00 0.00 0.00 0.00 51.96 53.57 1utd s ALA 14 Cb -0.16 -3.69 0.31 0.00 0.00 0.00 0.00 23.12 19.58 1utd s ALA 14 CO 0.00 -1.04 1.30 1.28 0.00 0.00 0.00 175.76 177.30 1utd n LEU 15 N 5.12 2.01 -4.01 0.00 4.77 0.41 -0.07 117.00 125.22 1utd n LEU 15 Ca 0.16 -0.69 -0.09 0.00 -0.03 0.00 0.00 56.01 55.35 1utd n LEU 15 Cb 0.39 -0.02 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 1utd n LEU 15 CO 0.63 0.36 0.15 -1.83 -1.33 0.00 0.00 177.39 175.37 1utd s GLU 16 N -2.32 1.55 0.56 3.23 -1.05 -1.21 -4.86 118.70 114.60 1utd s GLU 16 Ca 0.24 -1.30 -0.18 0.00 -0.15 0.00 0.00 54.97 53.58 1utd s GLU 16 Cb 0.19 0.46 -0.05 0.00 -0.44 0.00 0.00 34.13 34.29 1utd s GLU 16 CO 0.47 -0.64 1.10 -0.51 0.95 0.00 0.00 175.26 176.63 1utd s ASP 17 N -3.04 5.75 -0.12 0.83 1.01 -1.26 -2.92 116.67 116.92 1utd s ASP 17 Ca 0.24 2.04 0.00 0.00 0.71 0.00 0.00 52.55 55.54 1utd s ASP 17 Cb -0.00 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.36 1utd s ASP 17 CO 0.10 -1.19 0.00 0.61 0.21 0.00 0.00 175.17 174.89 1utd n GLY 18 N -0.22 0.49 3.76 0.21 0.00 -0.97 -4.87 105.19 103.60 1utd n GLY 18 Ca 0.10 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.02 2.48 -0.13 1.61 1.01 -0.91 -4.82 120.40 117.63 1utd s VAL 19 Ca 0.00 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.45 1utd s VAL 19 Cb 0.00 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 33.08 1utd s VAL 19 CO 0.00 0.10 -0.18 0.20 0.00 0.00 0.00 175.10 175.22 1utd s ASN 20 N -0.11 3.56 -0.37 3.32 0.01 -0.39 -0.11 114.94 120.86 1utd s ASN 20 Ca 0.54 -0.46 -0.10 0.00 -0.71 0.00 0.00 52.86 52.13 1utd s ASN 20 Cb -0.43 -1.53 0.03 0.00 0.41 0.00 0.00 41.25 39.74 1utd s ASN 20 CO 0.53 0.13 0.18 -0.69 -1.51 0.00 0.00 177.10 175.74 1utd s VAL 21 N 0.54 4.36 -0.17 1.60 1.01 -0.26 -1.38 120.40 126.10 1utd s VAL 21 Ca -0.11 -0.94 -0.04 0.00 0.00 0.00 0.00 61.98 60.89 1utd s VAL 21 Cb -0.16 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 1utd s VAL 21 CO 0.04 -0.22 -0.02 -0.63 0.00 0.00 0.00 175.10 174.27 1utd s ILE 22 N 1.51 3.97 -0.10 2.22 1.01 0.48 -0.53 121.20 129.77 1utd s ILE 22 Ca 0.01 -0.32 -0.18 0.00 0.00 0.00 0.00 60.65 60.16 1utd s ILE 22 Cb -0.19 -2.76 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1utd s ILE 22 CO 0.06 0.47 0.48 -0.83 0.00 0.00 0.00 174.94 175.11 1utd s GLY 23 N 0.61 2.42 -0.13 6.18 0.00 -0.24 -0.81 107.32 115.35 1utd s GLY 23 Ca -0.01 -0.17 -0.11 0.00 0.00 0.00 0.00 44.72 44.42 1utd s GLY 23 CO 0.02 0.70 0.23 1.08 0.00 0.00 0.00 173.10 175.13 1utd s LEU 24 N 0.37 4.32 0.28 0.66 1.02 0.08 -1.40 118.68 124.02 1utd s LEU 24 Ca 0.26 0.51 -0.30 0.00 0.02 0.00 0.00 54.13 54.61 1utd s LEU 24 Cb -0.16 -2.25 -0.12 0.00 0.02 0.00 0.00 46.19 43.68 1utd s LEU 24 CO 0.11 0.25 1.58 0.35 0.02 0.00 0.00 176.35 178.66 1utd n THR 25 N 2.80 0.95 -2.19 5.49 -2.24 0.03 -2.37 114.28 116.76 1utd n THR 25 Ca -0.16 -0.24 -0.39 0.00 -2.27 0.00 0.00 64.05 61.00 1utd n THR 25 Cb 0.53 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.84 1utd n THR 25 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1utd s ARG 26 N -0.39 3.96 0.00 -0.78 3.52 -0.86 -4.59 118.95 119.81 1utd s ARG 26 Ca 0.65 1.96 0.00 0.00 -0.13 0.00 0.00 55.73 58.21 1utd s ARG 26 Cb -0.51 -2.67 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 1utd s ARG 26 CO 0.48 -0.43 0.00 0.41 -0.81 0.00 0.00 175.30 174.94 1utd n GLY 27 N 0.64 0.50 0.18 8.12 0.00 -1.26 -4.74 105.19 108.62 1utd n GLY 27 Ca 0.05 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.91 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 1.07 -2.67 4.61 0.00 -2.05 -3.42 119.26 116.79 1utd h ALA 28 Ca 0.00 -0.39 -0.65 0.00 0.00 0.00 0.00 54.91 53.87 1utd h ALA 28 Cb 0.00 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.65 1utd h ALA 28 CO 0.00 0.54 -0.41 -0.51 0.00 0.00 0.00 179.25 178.87 1utd s ASP 29 N -6.62 6.49 -0.24 0.00 1.11 -1.26 -5.09 116.67 111.06 1utd s ASP 29 Ca -0.01 0.58 0.02 0.00 0.18 0.00 0.00 52.55 53.33 1utd s ASP 29 Cb 0.12 -2.12 0.05 0.00 1.07 0.00 0.00 42.92 42.05 1utd s ASP 29 CO 0.71 0.38 -0.12 -0.89 1.18 0.00 0.00 175.17 176.43 1utd s THR 30 N -0.98 2.05 0.19 -1.27 2.01 -1.26 -4.60 115.64 111.77 1utd s THR 30 Ca 0.17 -1.45 -0.12 0.00 0.31 0.00 0.00 61.69 60.60 1utd s THR 30 Cb -0.13 -2.13 0.00 0.00 0.01 0.00 0.00 72.50 70.25 1utd s THR 30 CO 0.06 0.06 0.38 0.00 -0.69 0.00 0.00 174.62 174.43 1utd s ARG 31 N 1.18 1.29 -0.10 4.92 1.70 -1.26 -4.93 118.95 121.74 1utd s ARG 31 Ca -0.06 -1.11 -0.29 0.00 -0.47 0.00 0.00 55.73 53.80 1utd s ARG 31 Cb -0.19 0.43 -0.02 0.00 -0.57 0.00 0.00 34.95 34.61 1utd s ARG 31 CO -0.06 -0.51 0.96 -0.06 -1.08 0.00 0.00 175.30 174.55 1utd s PHE 32 N -3.95 3.52 -0.03 5.89 0.08 -1.26 -0.79 117.98 121.43 1utd s PHE 32 Ca 0.16 1.54 0.14 0.00 0.12 0.00 0.00 56.93 58.89 1utd s PHE 32 Cb 0.01 -3.13 -0.21 0.00 -0.57 0.00 0.00 43.02 39.12 1utd s PHE 32 CO 0.01 -0.19 0.28 -2.39 -0.10 0.00 0.00 175.22 172.83 1utd n HIS 33 N 4.86 0.00 -3.73 0.36 1.44 -0.49 -4.94 115.22 112.71 1utd n HIS 33 Ca 0.07 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.65 1utd n HIS 33 Cb 0.49 -0.35 -0.10 0.00 0.12 0.00 0.00 29.99 30.15 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 -0.40 -0.16 -1.40 5.65 -1.24 -5.01 115.29 109.82 1utd s HIS 34 Ca -0.05 0.92 0.01 0.00 0.25 0.00 0.00 55.06 56.19 1utd s HIS 34 Cb 0.08 0.15 0.02 0.00 -1.18 0.00 0.00 32.58 31.65 1utd s HIS 34 CO 0.57 -0.26 -0.17 0.45 -0.65 0.00 0.00 174.74 174.69 1utd s SER 35 N -0.12 2.90 -0.32 9.88 0.15 -1.26 -1.08 113.70 123.85 1utd s SER 35 Ca -0.03 -0.57 -0.16 0.00 0.70 0.00 0.00 55.95 55.89 1utd s SER 35 Cb -0.03 -1.32 -0.02 0.00 -1.71 0.00 0.00 66.02 62.94 1utd s SER 35 CO 0.02 -0.03 0.44 -0.70 1.20 0.00 0.00 173.24 174.16 1utd s GLU 36 N 1.40 3.76 -0.09 5.44 2.56 0.31 -4.87 118.70 127.21 1utd s GLU 36 Ca 0.05 -0.12 -0.30 0.00 0.00 0.00 0.00 54.97 54.60 1utd s GLU 36 Cb -0.13 -3.75 -0.02 0.00 2.00 0.00 0.00 34.13 32.23 1utd s GLU 36 CO -0.12 -0.48 1.05 -1.59 -0.56 0.00 0.00 175.26 173.56 1utd s LYS 37 N 2.20 4.41 -0.16 4.30 -2.85 -1.26 -1.10 119.74 125.28 1utd s LYS 37 Ca 0.16 1.45 -0.01 0.00 -1.00 0.00 0.00 55.97 56.58 1utd s LYS 37 Cb -0.16 -3.54 -0.01 0.00 -2.06 0.00 0.00 37.83 32.06 1utd s LYS 37 CO 0.12 -0.33 -0.11 -0.51 0.10 0.00 0.00 175.35 174.61 1utd s LEU 38 N 2.00 2.71 0.57 2.77 1.43 0.84 -4.98 118.68 124.02 1utd s LEU 38 Ca 0.50 -0.38 -0.06 0.00 -1.03 0.00 0.00 54.13 53.17 1utd s LEU 38 Cb -0.20 -1.63 -0.00 0.00 0.03 0.00 0.00 46.19 44.39 1utd s LEU 38 CO 0.19 0.10 0.89 -1.81 0.23 0.00 0.00 176.35 175.95 1utd s ASP 39 N 0.75 5.72 -0.06 2.29 1.01 -1.26 -2.15 116.67 122.97 1utd s ASP 39 Ca -0.05 0.77 -0.36 0.00 0.71 0.00 0.00 52.55 53.62 1utd s ASP 39 Cb -0.15 -1.82 -0.14 0.00 1.01 0.00 0.00 42.92 41.82 1utd s ASP 39 CO 0.01 -0.98 1.69 1.17 0.21 0.00 0.00 175.17 177.27 1utd n LYS 40 N -2.54 1.70 -0.04 8.23 4.81 -1.15 -1.47 118.16 127.70 1utd n LYS 40 Ca 0.04 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 58.10 1utd n LYS 40 Cb 0.57 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.25 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 3.82 1.31 3.80 3.14 0.00 0.90 -4.95 105.19 113.20 1utd n GLY 41 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.54 4.03 -0.08 1.61 2.02 -0.54 -4.85 118.70 120.34 1utd s GLU 42 Ca 0.00 1.35 0.03 0.00 0.02 0.00 0.00 54.97 56.37 1utd s GLU 42 Cb 0.00 -2.27 0.01 0.00 0.10 0.00 0.00 34.13 31.97 1utd s GLU 42 CO 0.00 -0.24 -0.17 0.08 0.02 0.00 0.00 175.26 174.95 1utd s VAL 43 N -1.92 1.53 -0.14 2.63 1.01 -1.26 -2.12 120.40 120.13 1utd s VAL 43 Ca 0.63 -0.70 -0.01 0.00 0.00 0.00 0.00 61.98 61.90 1utd s VAL 43 Cb -0.16 -1.36 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1utd s VAL 43 CO 0.21 0.44 -0.10 -0.22 0.00 0.00 0.00 175.10 175.43 1utd s LEU 44 N 0.59 2.85 -0.30 3.92 2.96 0.30 -4.98 118.68 124.02 1utd s LEU 44 Ca -0.15 -0.29 -0.00 0.00 -0.22 0.00 0.00 54.13 53.47 1utd s LEU 44 Cb -0.16 -1.66 0.06 0.00 0.50 0.00 0.00 46.19 44.92 1utd s LEU 44 CO 0.05 0.15 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.59 1utd s ILE 45 N 0.43 2.79 -0.06 6.68 1.01 -1.26 0.06 121.20 130.84 1utd s ILE 45 Ca -0.08 -1.51 0.04 0.00 0.00 0.00 0.00 60.65 59.09 1utd s ILE 45 Cb -0.15 -2.64 0.00 0.00 0.01 0.00 0.00 42.46 39.67 1utd s ILE 45 CO 0.04 -0.14 -0.18 0.00 0.00 0.00 0.00 174.94 174.66 1utd s ALA 46 N 1.20 1.67 0.38 9.38 0.00 -0.17 -4.95 121.76 129.26 1utd s ALA 46 Ca -0.05 -0.72 -0.04 0.00 0.00 0.00 0.00 51.96 51.16 1utd s ALA 46 Cb -0.20 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.27 1utd s ALA 46 CO -0.02 0.25 0.64 -0.65 0.00 0.00 0.00 175.76 175.98 1utd s GLN 47 N 0.25 3.57 0.24 0.00 -0.21 -1.26 -0.85 119.66 121.39 1utd s GLN 47 Ca -0.10 -0.01 -0.30 0.00 0.02 0.00 0.00 55.36 54.98 1utd s GLN 47 Cb -0.14 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 31.23 1utd s GLN 47 CO 0.04 0.04 1.02 -0.06 -2.12 0.00 0.00 175.29 174.21 1utd s PHE 48 N -2.39 3.77 0.29 0.91 0.08 -0.80 -4.94 117.98 114.89 1utd s PHE 48 Ca 0.44 1.79 0.04 0.00 0.12 0.00 0.00 56.93 59.32 1utd s PHE 48 Cb -0.10 -3.14 -0.03 0.00 -0.57 0.00 0.00 43.02 39.18 1utd s PHE 48 CO 0.37 -0.08 0.25 0.95 -0.10 0.00 0.00 175.22 176.60 1utd s THR 49 N -0.99 0.00 0.44 0.64 -4.23 -0.24 -4.64 115.64 106.63 1utd s THR 49 Ca 0.44 -1.98 0.26 0.00 -1.18 0.00 0.00 61.69 59.23 1utd s THR 49 Cb -0.29 -2.50 0.46 0.00 1.34 0.00 0.00 72.50 71.51 1utd s THR 49 CO 0.36 0.00 1.73 -0.08 -0.54 0.00 0.00 174.62 176.09 1utd h GLU 50 N 2.27 0.21 0.00 3.99 4.81 -2.03 -2.61 114.58 121.23 1utd h GLU 50 Ca -0.28 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1utd h GLU 50 Cb 1.24 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1utd h GLU 50 CO 0.41 0.14 -1.22 0.72 -0.73 0.00 0.00 179.01 178.33 1utd n HIS 51 N -4.53 0.00 -3.88 0.92 8.25 -1.26 -4.61 115.22 110.11 1utd n HIS 51 Ca 0.29 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.46 1utd n HIS 51 Cb 1.14 -0.14 -0.16 0.00 1.12 0.00 0.00 29.99 31.95 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 -3.00 1.14 -0.78 1.59 2.01 -0.98 -2.02 115.64 113.60 1utd s THR 52 Ca 0.03 -0.80 0.06 0.00 0.31 0.00 0.00 61.69 61.29 1utd s THR 52 Cb 0.14 -1.40 0.06 0.00 0.01 0.00 0.00 72.50 71.31 1utd s THR 52 CO 0.80 -0.00 0.74 -1.54 -0.69 0.00 0.00 174.62 173.93 1utd n SER 53 N 4.84 1.62 -3.63 3.53 3.41 -1.00 -1.08 113.62 121.31 1utd n SER 53 Ca -0.11 -1.33 -0.16 0.00 -0.26 0.00 0.00 58.87 57.01 1utd n SER 53 Cb 0.46 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 64.33 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 -0.57 -1.35 -0.04 7.33 0.00 -1.24 -5.01 121.76 120.87 1utd s ALA 54 Ca 0.08 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.04 1utd s ALA 54 Cb 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.10 1utd s ALA 54 CO 0.08 -0.31 -0.04 0.42 0.00 0.00 0.00 175.76 175.90 1utd s ILE 55 N -1.03 0.52 -0.09 0.00 1.01 -1.26 -0.74 121.20 119.60 1utd s ILE 55 Ca -0.10 -0.12 0.03 0.00 0.00 0.00 0.00 60.65 60.46 1utd s ILE 55 Cb -0.02 -0.54 -0.01 0.00 0.01 0.00 0.00 42.46 41.89 1utd s ILE 55 CO 0.07 0.22 -0.19 -0.75 0.00 0.00 0.00 174.94 174.29 1utd s LYS 56 N 0.89 2.94 -0.15 2.79 2.20 0.01 -4.96 119.74 123.45 1utd s LYS 56 Ca -0.12 -0.79 0.00 0.00 -0.36 0.00 0.00 55.97 54.71 1utd s LYS 56 Cb -0.14 -2.39 -0.00 0.00 -1.51 0.00 0.00 37.83 33.78 1utd s LYS 56 CO 0.00 0.32 -0.15 0.08 -0.36 0.00 0.00 175.35 175.24 1utd s VAL 57 N 0.02 2.68 -0.10 4.02 1.01 -1.26 -0.39 120.40 126.39 1utd s VAL 57 Ca -0.07 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.18 1utd s VAL 57 Cb -0.15 -2.13 -0.00 0.00 0.00 0.00 0.00 36.38 34.10 1utd s VAL 57 CO 0.05 0.52 -0.23 -0.13 0.00 0.00 0.00 175.10 175.30 1utd s ARG 58 N 0.72 3.00 0.00 2.72 0.52 -0.48 -4.95 118.95 120.48 1utd s ARG 58 Ca -0.07 -0.87 0.00 0.00 -0.52 0.00 0.00 55.73 54.27 1utd s ARG 58 Cb -0.16 -2.30 0.00 0.00 0.52 0.00 0.00 34.95 33.01 1utd s ARG 58 CO 0.01 0.21 0.00 0.41 0.02 0.00 0.00 175.30 175.95 1utd n GLY 59 N 3.44 1.44 3.64 -3.53 0.00 -1.26 -1.26 105.19 107.65 1utd n GLY 59 Ca -0.19 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.33 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 -1.79 4.09 -0.03 1.61 2.20 -1.26 -3.93 119.74 120.62 1utd s LYS 60 Ca 0.00 1.04 -0.15 0.00 -0.36 0.00 0.00 55.97 56.50 1utd s LYS 60 Cb 0.00 -3.72 0.03 0.00 -1.51 0.00 0.00 37.83 32.63 1utd s LYS 60 CO 0.00 -0.81 0.34 0.00 -0.36 0.00 0.00 175.35 174.51 1utd s ALA 61 N 3.45 -0.85 -0.20 3.13 0.00 -0.90 -0.44 121.76 125.94 1utd s ALA 61 Ca 0.43 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 52.73 1utd s ALA 61 Cb -0.13 -0.03 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 1utd s ALA 61 CO 0.13 -0.25 0.35 -0.47 0.00 0.00 0.00 175.76 175.51 1utd s TYR 62 N -1.08 3.38 -0.04 0.00 5.04 -0.13 -1.57 117.35 122.95 1utd s TYR 62 Ca -0.11 0.55 0.06 0.00 -2.44 0.00 0.00 57.07 55.13 1utd s TYR 62 Cb -0.05 -2.46 -0.01 0.00 0.35 0.00 0.00 41.96 39.80 1utd s TYR 62 CO 0.04 0.04 -0.22 0.42 -1.34 0.00 0.00 175.55 174.49 1utd s ILE 63 N 1.13 1.80 -0.07 3.14 1.01 0.76 -1.15 121.20 127.84 1utd s ILE 63 Ca 0.17 -0.94 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1utd s ILE 63 Cb -0.14 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.79 1utd s ILE 63 CO 0.07 0.51 -0.22 -1.10 0.00 0.00 0.00 174.94 174.20 1utd s GLN 64 N -0.23 2.67 0.39 2.79 -0.21 -0.08 -1.25 119.66 123.74 1utd s GLN 64 Ca 0.00 -0.85 0.05 0.00 0.02 0.00 0.00 55.36 54.58 1utd s GLN 64 Cb -0.12 -2.25 -0.02 0.00 1.00 0.00 0.00 33.01 31.62 1utd s GLN 64 CO 0.02 0.38 0.18 0.95 -2.12 0.00 0.00 175.29 174.71 1utd s THR 65 N -0.16 0.36 0.63 -0.19 -4.23 -0.53 -1.05 115.64 110.48 1utd s THR 65 Ca -0.03 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.79 1utd s THR 65 Cb -0.14 -2.37 0.35 0.00 1.34 0.00 0.00 72.50 71.69 1utd s THR 65 CO 0.04 0.00 2.02 -0.09 -0.54 0.00 0.00 174.62 176.04 1utd h ARG 66 N 1.87 0.00 -0.01 3.99 2.43 -2.01 -0.55 114.38 120.11 1utd h ARG 66 Ca -0.31 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 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 0.49 0.00 -0.24 0.72 -1.51 0.00 0.00 179.97 179.43 1utd n HIS 67 N -3.34 0.00 0.00 2.20 8.25 -1.26 -5.05 115.22 116.02 1utd n HIS 67 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 1utd n HIS 67 Cb 0.39 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 1.33 0.55 3.87 -1.41 0.00 -0.22 -5.04 105.19 104.27 1utd n GLY 68 Ca 0.13 -2.25 -0.34 0.00 0.00 0.00 0.00 46.02 43.56 1utd n GLY 68 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1utd s VAL 69 N -0.31 5.08 0.02 1.61 -7.23 -1.26 -1.45 120.40 116.87 1utd s VAL 69 Ca 0.00 0.42 -0.04 0.00 -1.81 0.00 0.00 61.98 60.55 1utd s VAL 69 Cb 0.00 -3.65 -0.01 0.00 0.56 0.00 0.00 36.38 33.28 1utd s VAL 69 CO 0.00 0.23 0.07 -0.51 -0.31 0.00 0.00 175.10 174.58 1utd s ILE 70 N -1.46 0.12 -0.14 -0.62 1.10 -0.38 -5.01 121.20 114.81 1utd s ILE 70 Ca 0.35 -0.97 0.01 0.00 -0.51 0.00 0.00 60.65 59.54 1utd s ILE 70 Cb -0.14 -0.64 -0.00 0.00 0.15 0.00 0.00 42.46 41.83 1utd s ILE 70 CO 0.19 -0.54 -0.18 -1.61 -2.11 0.00 0.00 174.94 170.69 1utd s GLU 71 N -2.05 3.16 0.35 3.50 2.02 -1.26 -0.17 118.70 124.26 1utd s GLU 71 Ca -0.10 -0.79 -0.19 0.00 0.02 0.00 0.00 54.97 53.91 1utd s GLU 71 Cb -0.05 -2.52 -0.10 0.00 0.10 0.00 0.00 34.13 31.57 1utd s GLU 71 CO -0.02 0.07 0.84 -1.54 0.02 0.00 0.00 175.26 174.63 1utd s SER 72 N 0.65 6.94 -0.04 -0.19 1.04 -0.61 -4.95 113.70 116.54 1utd s SER 72 Ca -0.09 1.52 0.07 0.00 0.48 0.00 0.00 55.95 57.93 1utd s SER 72 Cb -0.16 -2.47 -0.02 0.00 0.10 0.00 0.00 66.02 63.48 1utd s SER 72 CO 0.02 -0.22 -0.25 -1.61 0.98 0.00 0.00 173.24 172.16 1utd s GLU 73 N -2.84 2.29 0.00 4.02 2.02 -1.25 -2.11 118.70 120.82 1utd s GLU 73 Ca 0.56 -0.91 0.00 0.00 0.02 0.00 0.00 54.97 54.64 1utd s GLU 73 Cb -0.11 -2.11 0.00 0.00 0.10 0.00 0.00 34.13 32.01 1utd s GLU 73 CO 0.17 0.50 0.49 0.41 0.02 0.00 0.00 175.26 176.85