#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yuu s SER 2 N 0.00 -0.76 0.18 1.61 0.15 -1.26 -5.18 113.70 108.45 2yuu s SER 2 Ca 0.00 1.19 0.09 0.00 0.70 0.00 0.00 55.95 57.93 2yuu s SER 2 Cb 0.00 1.39 -0.04 0.00 -1.71 0.00 0.00 66.02 65.66 2yuu s SER 2 CO 0.00 -0.19 -0.18 -0.55 1.20 0.00 0.00 173.24 173.53 2yuu s SER 3 N 1.65 2.72 0.34 5.45 0.15 -1.26 -5.16 113.70 117.59 2yuu s SER 3 Ca -0.09 -0.91 -0.01 0.00 0.70 0.00 0.00 55.95 55.64 2yuu s SER 3 Cb -0.05 -0.16 0.01 0.00 -1.71 0.00 0.00 66.02 64.11 2yuu s SER 3 CO -0.18 -0.06 0.47 0.61 1.20 0.00 0.00 173.24 175.28 2yuu n GLY 4 N 0.08 2.16 3.13 9.45 0.00 -1.26 -5.18 105.19 113.57 2yuu n GLY 4 Ca -0.11 -1.62 -0.09 0.00 0.00 0.00 0.00 46.02 44.20 2yuu n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yuu s SER 5 N -3.12 0.23 -0.23 1.61 0.15 -1.26 -5.08 113.70 106.01 2yuu s SER 5 Ca 0.29 -0.66 -0.10 0.00 0.70 0.00 0.00 55.95 56.18 2yuu s SER 5 Cb -0.01 0.25 -0.10 0.00 -1.71 0.00 0.00 66.02 64.45 2yuu s SER 5 CO 0.21 -0.58 -0.28 -1.20 1.20 0.00 0.00 173.24 172.58 2yuu n SER 6 N 0.44 1.68 0.00 5.45 7.64 -1.26 -5.14 113.62 122.44 2yuu n SER 6 Ca -0.17 0.24 0.00 0.00 1.01 0.00 0.00 58.87 59.95 2yuu n SER 6 Cb 0.60 -0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 2yuu n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2yuu n GLY 7 N 1.66 0.57 3.79 0.23 0.00 -1.26 -5.13 105.19 105.06 2yuu n GLY 7 Ca -0.44 -2.08 -0.04 0.00 0.00 0.00 0.00 46.02 43.45 2yuu n GLY 7 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2yuu s LYS 8 N -0.58 1.40 -0.36 1.61 -2.85 -1.26 -5.12 119.74 112.57 2yuu s LYS 8 Ca 0.00 -0.79 -0.29 0.00 -1.00 0.00 0.00 55.97 53.89 2yuu s LYS 8 Cb 0.00 0.46 0.01 0.00 -2.06 0.00 0.00 37.83 36.24 2yuu s LYS 8 CO 0.00 -0.64 1.30 -0.65 0.10 0.00 0.00 175.35 175.46 2yuu s GLN 9 N -3.30 3.80 0.32 1.78 -1.52 -1.26 -4.97 119.66 114.51 2yuu s GLN 9 Ca 0.13 1.05 0.02 0.00 -1.95 0.00 0.00 55.36 54.61 2yuu s GLN 9 Cb -0.03 -3.92 -0.01 0.00 -0.22 0.00 0.00 33.01 28.84 2yuu s GLN 9 CO 0.04 -1.28 0.38 0.00 -0.25 0.00 0.00 175.29 174.19 2yuu n ALA 10 N 7.97 0.08 -3.29 6.09 0.00 -1.26 -5.15 120.51 124.95 2yuu n ALA 10 Ca 0.15 -1.64 -0.14 0.00 0.00 0.00 0.00 53.44 51.80 2yuu n ALA 10 Cb 0.47 1.33 -0.08 0.00 0.00 0.00 0.00 19.45 21.17 2yuu n ALA 10 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2yuu s LYS 11 N -2.96 0.72 -0.09 0.00 -2.85 -1.26 -5.13 119.74 108.18 2yuu s LYS 11 Ca 0.31 -0.08 -0.04 0.00 -1.00 0.00 0.00 55.97 55.16 2yuu s LYS 11 Cb 0.00 0.33 -0.04 0.00 -2.06 0.00 0.00 37.83 36.06 2yuu s LYS 11 CO 0.22 -0.20 0.09 0.42 0.10 0.00 0.00 175.35 175.98 2yuu s ILE 12 N -1.23 5.02 -0.38 3.79 1.01 -1.26 -4.19 121.20 123.95 2yuu s ILE 12 Ca -0.12 -0.03 -0.13 0.00 0.00 0.00 0.00 60.65 60.37 2yuu s ILE 12 Cb -0.04 -3.18 0.02 0.00 0.01 0.00 0.00 42.46 39.27 2yuu s ILE 12 CO 0.05 0.57 0.24 -1.00 0.00 0.00 0.00 174.94 174.80 2yuu s HIS 13 N -1.02 3.24 -0.68 3.97 3.76 -0.43 -4.98 115.29 119.16 2yuu s HIS 13 Ca 0.16 -0.76 -0.07 0.00 -0.15 0.00 0.00 55.06 54.23 2yuu s HIS 13 Cb -0.12 -2.50 -0.16 0.00 1.11 0.00 0.00 32.58 30.92 2yuu s HIS 13 CO 0.05 -0.60 3.26 0.66 -0.85 0.00 0.00 174.74 177.26 2yuu n TYR 14 N 5.07 1.12 -3.35 1.40 4.01 -1.25 -3.32 117.16 120.83 2yuu n TYR 14 Ca -0.12 -2.17 -0.38 0.00 -0.16 0.00 0.00 57.90 55.07 2yuu n TYR 14 Cb 0.47 -1.91 -0.06 0.00 -0.31 0.00 0.00 39.34 37.52 2yuu n TYR 14 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2yuu s ILE 15 N 1.05 4.90 -0.56 -0.72 1.09 -1.25 -4.07 121.20 121.64 2yuu s ILE 15 Ca 0.67 1.06 0.00 0.00 -1.10 0.00 0.00 60.65 61.28 2yuu s ILE 15 Cb 0.27 -3.83 0.00 0.00 -1.06 0.00 0.00 42.46 37.84 2yuu s ILE 15 CO -0.04 0.53 0.00 0.29 -0.10 0.00 0.00 174.94 175.62 2yuu n LYS 16 N 2.02 -1.95 -2.51 2.79 4.76 -1.26 0.15 118.16 122.16 2yuu n LYS 16 Ca -0.11 0.32 -0.06 0.00 -2.87 0.00 0.00 58.31 55.58 2yuu n LYS 16 Cb 0.51 -4.67 0.01 0.00 -1.84 0.00 0.00 35.03 29.05 2yuu n LYS 16 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2yuu n ASN 17 N -0.75 -2.87 -4.87 4.39 5.15 -1.26 -3.27 115.26 111.78 2yuu n ASN 17 Ca -0.07 -0.09 -0.29 0.00 -0.60 0.00 0.00 54.58 53.54 2yuu n ASN 17 Cb 0.39 -1.75 -0.02 0.00 -0.53 0.00 0.00 39.78 37.87 2yuu n ASN 17 CO 0.00 0.00 0.00 -1.00 1.40 0.00 0.00 177.26 177.66 2yuu s HIS 18 N -2.75 1.62 -0.12 1.20 3.76 0.40 -3.90 115.29 115.50 2yuu s HIS 18 Ca 0.09 -0.90 0.17 0.00 -0.15 0.00 0.00 55.06 54.27 2yuu s HIS 18 Cb -0.04 -1.81 0.40 0.00 1.11 0.00 0.00 32.58 32.23 2yuu s HIS 18 CO 0.12 -0.30 1.19 0.39 -0.85 0.00 0.00 174.74 175.28 2yuu n GLU 19 N -1.64 0.91 -1.62 1.40 4.71 -1.24 -3.81 120.64 119.35 2yuu n GLU 19 Ca -0.07 -2.67 -0.63 0.00 -0.01 0.00 0.00 57.16 53.78 2yuu n GLU 19 Cb 0.65 -0.96 -0.09 0.00 -1.01 0.00 0.00 31.44 30.03 2yuu n GLU 19 CO 0.00 0.00 0.00 1.19 0.09 0.00 0.00 177.13 178.41 2yuu n PHE 20 N -0.49 1.20 -5.09 -0.32 3.72 -1.21 -4.17 117.46 111.10 2yuu n PHE 20 Ca 0.13 1.07 -0.30 0.00 -0.05 0.00 0.00 57.45 58.29 2yuu n PHE 20 Cb 0.86 -2.17 -0.17 0.00 -0.94 0.00 0.00 39.48 37.06 2yuu n PHE 20 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2yuu s ILE 21 N 1.44 1.87 -0.26 4.37 1.01 0.61 -1.31 121.20 128.93 2yuu s ILE 21 Ca 0.97 -0.91 -0.39 0.00 0.00 0.00 0.00 60.65 60.33 2yuu s ILE 21 Cb -1.35 -1.62 -0.14 0.00 0.01 0.00 0.00 42.46 39.35 2yuu s ILE 21 CO 0.68 0.52 1.83 0.00 0.00 0.00 0.00 174.94 177.96 2yuu n ALA 22 N 3.56 0.16 -3.12 9.38 0.00 -1.26 -3.02 120.51 126.21 2yuu n ALA 22 Ca -0.20 0.32 -0.12 0.00 0.00 0.00 0.00 53.44 53.44 2yuu n ALA 22 Cb 0.53 -2.31 -0.11 0.00 0.00 0.00 0.00 19.45 17.56 2yuu n ALA 22 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2yuu s THR 23 N 4.11 0.03 -0.15 0.00 -1.32 -1.25 -4.97 115.64 112.09 2yuu s THR 23 Ca 0.99 -0.26 -0.20 0.00 -1.21 0.00 0.00 61.69 61.01 2yuu s THR 23 Cb -0.98 -0.39 -0.03 0.00 -1.51 0.00 0.00 72.50 69.59 2yuu s THR 23 CO 0.62 -0.14 0.55 0.12 -2.21 0.00 0.00 174.62 173.56 2yuu s PHE 24 N -0.50 3.45 -0.63 9.09 5.36 -1.26 -3.68 117.98 129.82 2yuu s PHE 24 Ca -0.06 0.92 -0.08 0.00 -0.96 0.00 0.00 56.93 56.75 2yuu s PHE 24 Cb -0.04 -2.67 0.16 0.00 -0.34 0.00 0.00 43.02 40.13 2yuu s PHE 24 CO 0.01 0.01 0.49 -0.06 -1.46 0.00 0.00 175.22 174.21 2yuu s PHE 25 N 1.20 3.51 -1.65 10.12 0.40 -1.26 -4.91 117.98 125.39 2yuu s PHE 25 Ca 0.28 -2.26 0.10 0.00 -0.60 0.00 0.00 56.93 54.45 2yuu s PHE 25 Cb -0.16 -3.46 0.52 0.00 0.51 0.00 0.00 43.02 40.43 2yuu s PHE 25 CO 0.11 -0.93 1.12 0.41 0.70 0.00 0.00 175.22 176.63 2yuu n GLY 26 N 4.09 -0.48 3.21 4.36 0.00 -1.26 -4.65 105.19 110.45 2yuu n GLY 26 Ca 0.04 -0.05 -0.18 0.00 0.00 0.00 0.00 46.02 45.83 2yuu n GLY 26 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2yuu s GLN 27 N -2.35 0.94 -0.81 1.61 -2.07 -1.26 -5.05 119.66 110.67 2yuu s GLN 27 Ca 0.11 -1.12 -0.25 0.00 -1.82 0.00 0.00 55.36 52.28 2yuu s GLN 27 Cb 0.06 -0.90 -0.04 0.00 -1.09 0.00 0.00 33.01 31.05 2yuu s GLN 27 CO 0.13 0.19 1.92 -1.25 -1.32 0.00 0.00 175.29 174.96 2yuu s PRO 28 N -2.24 2.58 0.28 9.60 0.04 -1.26 -4.72 135.00 139.28 2yuu s PRO 28 Ca 0.04 -0.02 -0.18 0.00 0.04 0.00 0.00 61.00 60.89 2yuu s PRO 28 Cb -0.07 -4.86 -0.09 0.00 0.04 0.00 0.00 34.50 29.52 2yuu s PRO 28 CO 0.03 -3.18 0.74 0.99 0.04 0.00 0.00 177.00 175.62 2yuu s THR 29 N 9.76 4.60 -0.33 1.26 2.01 0.14 -4.86 115.64 128.22 2yuu s THR 29 Ca 0.69 1.14 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 2yuu s THR 29 Cb -0.08 -3.73 0.00 0.00 0.01 0.00 0.00 72.50 68.69 2yuu s THR 29 CO 0.06 -0.00 1.37 0.12 -0.69 0.00 0.00 174.62 175.47 2yuu s PHE 30 N -1.77 2.53 0.89 4.92 5.36 -1.26 -3.76 117.98 124.89 2yuu s PHE 30 Ca 0.49 0.77 -0.11 0.00 -0.96 0.00 0.00 56.93 57.12 2yuu s PHE 30 Cb -0.13 -4.06 0.13 0.00 -0.34 0.00 0.00 43.02 38.61 2yuu s PHE 30 CO 0.19 -1.92 1.10 0.00 -1.46 0.00 0.00 175.22 173.13 2yuu n SER 32 N -4.00 0.75 -0.07 0.00 2.88 -1.19 -3.52 113.62 108.47 2yuu n SER 32 Ca 0.09 -0.88 -0.10 0.00 -1.33 0.00 0.00 58.87 56.65 2yuu n SER 32 Cb 0.53 0.93 -0.03 0.00 -0.75 0.00 0.00 64.21 64.89 2yuu n SER 32 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 2yuu n VAL 33 N -1.16 1.42 0.81 2.46 0.31 -1.26 -4.73 118.33 116.18 2yuu n VAL 33 Ca 0.03 0.12 0.08 0.00 -0.01 0.00 0.00 64.34 64.56 2yuu n VAL 33 Cb 0.22 -2.15 -0.06 0.00 -0.91 0.00 0.00 33.84 30.94 2yuu n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2yuu n LYS 35 N -0.92 -3.08 -2.56 0.00 4.01 -1.23 -4.95 118.16 109.42 2yuu n LYS 35 Ca 0.05 0.52 -0.13 0.00 -0.51 0.00 0.00 58.31 58.24 2yuu n LYS 35 Cb 0.31 -4.69 0.01 0.00 -0.51 0.00 0.00 35.03 30.15 2yuu n LYS 35 CO 0.00 0.00 0.00 -3.47 -1.11 0.00 0.00 177.40 172.82 2yuu n ASP 36 N -2.92 1.74 -0.26 4.39 2.03 -1.26 -4.66 116.55 115.60 2yuu n ASP 36 Ca -0.22 -1.95 -0.06 0.00 0.52 0.00 0.00 54.79 53.08 2yuu n ASP 36 Cb 0.65 -0.06 0.05 0.00 -0.72 0.00 0.00 41.12 41.04 2yuu n ASP 36 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2yuu h PHE 37 N 0.47 1.13 -4.87 -0.67 0.04 -1.91 -2.93 116.94 108.19 2yuu h PHE 37 Ca -0.17 -0.09 -0.25 0.00 2.80 0.00 0.00 57.97 60.26 2yuu h PHE 37 Cb 0.66 -0.33 0.14 0.00 2.20 0.00 0.00 35.95 38.61 2yuu h PHE 37 CO 0.00 0.87 -0.61 0.28 -0.60 0.00 0.00 178.31 178.25 2yuu n VAL 38 N -4.33 -5.12 -4.06 -0.55 0.31 -1.25 0.28 118.33 103.62 2yuu n VAL 38 Ca 0.06 -0.49 -0.15 0.00 -0.01 0.00 0.00 64.34 63.75 2yuu n VAL 38 Cb 0.19 -4.66 -0.14 0.00 -0.91 0.00 0.00 33.84 28.32 2yuu n VAL 38 CO 0.00 0.00 0.00 -1.66 -1.32 0.00 0.00 176.83 173.85 2yuu s TRP 39 N -3.29 0.33 -0.25 3.52 1.48 -1.26 -4.05 118.94 115.42 2yuu s TRP 39 Ca 0.05 -0.06 -0.10 0.00 -1.06 0.00 0.00 56.10 54.94 2yuu s TRP 39 Cb -0.01 -0.22 0.10 0.00 -1.16 0.00 0.00 33.47 32.19 2yuu s TRP 39 CO 0.57 -0.01 0.56 0.20 -4.06 0.00 0.00 176.95 174.21 2yuu s GLY 40 N -0.03 -0.57 0.28 3.67 0.00 -1.24 -4.99 107.32 104.44 2yuu s GLY 40 Ca 0.01 2.03 -0.01 0.00 0.00 0.00 0.00 44.72 46.75 2yuu s GLY 40 CO -0.00 2.65 1.62 -2.00 0.00 0.00 0.00 173.10 175.37 2yuu h LEU 41 N 7.83 -0.25 -4.53 0.66 7.12 -2.01 -2.10 115.31 122.03 2yuu h LEU 41 Ca -0.21 0.22 -0.42 0.00 0.13 0.00 0.00 57.88 57.60 2yuu h LEU 41 Cb 1.13 0.36 -0.42 0.00 -0.53 0.00 0.00 40.66 41.20 2yuu h LEU 41 CO 0.13 -0.22 -0.95 0.59 -0.13 0.00 0.00 178.44 177.86 2yuu n ASN 42 N -5.34 3.41 -3.66 1.25 4.13 -1.26 -5.02 115.26 108.77 2yuu n ASN 42 Ca 0.19 -3.03 -0.17 0.00 1.68 0.00 0.00 54.58 53.26 2yuu n ASN 42 Cb 0.64 -0.42 -0.15 0.00 -1.54 0.00 0.00 39.78 38.31 2yuu n ASN 42 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 2yuu s LYS 43 N -3.64 0.05 0.41 3.52 2.20 -0.79 -5.16 119.74 116.33 2yuu s LYS 43 Ca 0.40 0.56 0.08 0.00 -0.36 0.00 0.00 55.97 56.65 2yuu s LYS 43 Cb 0.38 -0.31 0.00 0.00 -1.51 0.00 0.00 37.83 36.39 2yuu s LYS 43 CO -0.01 -0.32 0.52 1.14 -0.36 0.00 0.00 175.35 176.31 2yuu s GLN 44 N 2.30 2.79 0.00 4.03 0.00 -1.26 -3.73 119.66 123.80 2yuu s GLN 44 Ca 0.03 -1.28 0.00 0.00 -0.00 0.00 0.00 55.36 54.11 2yuu s GLN 44 Cb -0.12 -2.69 0.00 0.00 0.00 0.00 0.00 33.01 30.20 2yuu s GLN 44 CO -0.06 -0.22 0.00 0.41 0.00 0.00 0.00 175.29 175.42 2yuu n GLY 45 N -1.76 5.35 2.99 2.60 0.00 -1.24 -4.32 105.19 108.80 2yuu n GLY 45 Ca 0.06 -1.39 -0.10 0.00 0.00 0.00 0.00 46.02 44.59 2yuu n GLY 45 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2yuu s TYR 46 N 2.92 0.14 -0.10 1.61 2.02 0.30 -3.90 117.35 120.33 2yuu s TYR 46 Ca 0.00 -0.28 -0.05 0.00 -0.37 0.00 0.00 57.07 56.36 2yuu s TYR 46 Cb 0.00 -0.11 0.04 0.00 -0.40 0.00 0.00 41.96 41.50 2yuu s TYR 46 CO 0.00 -0.16 0.24 0.21 -1.57 0.00 0.00 175.55 174.26 2yuu s LYS 47 N -1.05 0.20 -0.15 -0.62 2.20 -1.17 -0.05 119.74 119.10 2yuu s LYS 47 Ca -0.11 0.50 -0.27 0.00 -0.36 0.00 0.00 55.97 55.72 2yuu s LYS 47 Cb -0.07 -0.10 -0.01 0.00 -1.51 0.00 0.00 37.83 36.14 2yuu s LYS 47 CO -0.00 -0.15 0.93 0.00 -0.36 0.00 0.00 175.35 175.76 2yuu n ARG 49 N 5.30 0.93 -0.03 0.00 1.85 -1.26 -0.27 116.66 123.19 2yuu n ARG 49 Ca 0.07 0.00 -0.06 0.00 -1.00 0.00 0.00 57.85 56.86 2yuu n ARG 49 Cb 0.48 -1.03 -0.02 0.00 -1.05 0.00 0.00 32.46 30.84 2yuu n ARG 49 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 2yuu n GLN 50 N -0.46 0.25 0.01 2.89 1.13 -1.26 -4.77 117.38 115.16 2yuu n GLN 50 Ca 0.00 0.10 0.11 0.00 -1.94 0.00 0.00 57.00 55.27 2yuu n GLN 50 Cb 0.02 -0.94 -0.09 0.00 0.11 0.00 0.00 30.24 29.34 2yuu n GLN 50 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2yuu n ASN 52 N -1.91 -2.47 -4.22 0.00 4.13 0.63 -5.01 115.26 106.41 2yuu n ASN 52 Ca 0.01 -0.37 -0.38 0.00 1.68 0.00 0.00 54.58 55.51 2yuu n ASN 52 Cb 0.45 -3.24 -0.11 0.00 -1.54 0.00 0.00 39.78 35.33 2yuu n ASN 52 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yuu s ALA 53 N -3.22 3.15 0.08 5.41 0.00 -1.24 -4.85 121.76 121.09 2yuu s ALA 53 Ca 0.04 -2.12 -0.25 0.00 0.00 0.00 0.00 51.96 49.63 2yuu s ALA 53 Cb -0.01 -2.43 -0.06 0.00 0.00 0.00 0.00 23.12 20.62 2yuu s ALA 53 CO 0.43 -1.58 0.77 0.00 0.00 0.00 0.00 175.76 175.38 2yuu s ALA 54 N 1.33 3.40 0.20 0.00 0.00 -1.26 -2.90 121.76 122.52 2yuu s ALA 54 Ca 0.02 0.30 -0.09 0.00 0.00 0.00 0.00 51.96 52.19 2yuu s ALA 54 Cb -0.22 -2.98 -0.01 0.00 0.00 0.00 0.00 23.12 19.91 2yuu s ALA 54 CO 0.00 0.14 0.34 0.96 0.00 0.00 0.00 175.76 177.20 2yuu s ILE 55 N -0.40 0.03 0.49 0.00 -4.36 0.92 -3.14 121.20 114.74 2yuu s ILE 55 Ca 0.38 -1.45 -0.19 0.00 -0.26 0.00 0.00 60.65 59.12 2yuu s ILE 55 Cb -0.21 -2.04 -0.08 0.00 1.25 0.00 0.00 42.46 41.37 2yuu s ILE 55 CO 0.24 -0.15 1.00 -1.00 0.24 0.00 0.00 174.94 175.27 2yuu s HIS 56 N -4.01 3.19 0.51 1.37 3.76 -1.26 -0.54 115.29 118.31 2yuu s HIS 56 Ca 0.22 1.55 0.25 0.00 -0.15 0.00 0.00 55.06 56.92 2yuu s HIS 56 Cb 0.02 -2.93 1.35 0.00 1.11 0.00 0.00 32.58 32.13 2yuu s HIS 56 CO 0.04 -0.56 1.97 -0.22 -0.85 0.00 0.00 174.74 175.12 2yuu h LYS 57 N 1.36 0.07 0.00 1.40 3.64 -1.86 0.12 116.57 121.29 2yuu h LYS 57 Ca -0.48 -0.00 -0.18 0.00 -1.27 0.00 0.00 60.65 58.71 2yuu h LYS 57 Cb 1.20 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 2yuu h LYS 57 CO 0.60 0.05 -1.29 1.57 -2.27 0.00 0.00 179.45 178.10 2yuu h LYS 58 N 0.07 0.00 0.00 1.90 2.10 -1.94 -3.30 116.57 115.40 2yuu h LYS 58 Ca 0.30 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.95 2yuu h LYS 58 Cb 1.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.41 2yuu h LYS 58 CO -0.02 0.40 0.00 0.00 -2.00 0.00 0.00 179.45 177.83 2yuu h ILE 60 N 0.00 1.12 -0.01 0.00 2.10 -1.50 -0.64 117.51 118.58 2yuu h ILE 60 Ca 0.00 -0.58 0.00 0.00 1.08 0.00 0.00 64.86 65.36 2yuu h ILE 60 Cb 0.40 1.28 0.00 0.00 -1.09 0.00 0.00 36.82 37.41 2yuu h ILE 60 CO 0.00 0.17 -0.00 0.47 -1.08 0.00 0.00 178.15 177.70 2yuu n ASP 61 N -4.34 1.47 -0.12 2.19 9.92 -1.04 -4.00 116.55 120.63 2yuu n ASP 61 Ca -0.02 -1.48 -0.17 0.00 -0.53 0.00 0.00 54.79 52.58 2yuu n ASP 61 Cb 0.23 0.00 -0.11 0.00 -0.64 0.00 0.00 41.12 40.60 2yuu n ASP 61 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 2yuu n LYS 62 N 0.14 0.62 -0.96 -1.24 4.76 -0.35 -5.01 118.16 116.13 2yuu n LYS 62 Ca 0.19 0.15 -0.30 0.00 -2.87 0.00 0.00 58.31 55.48 2yuu n LYS 62 Cb 0.35 -1.49 0.01 0.00 -1.84 0.00 0.00 35.03 32.06 2yuu n LYS 62 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2yuu n ILE 63 N -3.25 0.00 0.00 -0.18 5.41 -0.61 -4.92 119.36 115.81 2yuu n ILE 63 Ca -0.44 -0.38 0.00 0.00 1.00 0.00 0.00 62.75 62.93 2yuu n ILE 63 Cb 0.96 0.00 0.00 0.00 -0.71 0.00 0.00 39.64 39.89 2yuu n ILE 63 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 2yuu n ILE 64 N -1.16 0.00 -0.76 1.39 5.41 -1.26 -5.06 119.36 117.92 2yuu n ILE 64 Ca 0.06 0.00 -0.26 0.00 1.00 0.00 0.00 62.75 63.55 2yuu n ILE 64 Cb 0.36 -0.24 0.23 0.00 -0.71 0.00 0.00 39.64 39.28 2yuu n ILE 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2yuu n GLY 65 N 2.40 -3.06 3.83 7.39 0.00 -1.26 -5.05 105.19 109.44 2yuu n GLY 65 Ca 0.00 -1.43 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2yuu n GLY 65 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yuu s ARG 66 N -5.05 2.23 0.05 1.61 0.52 -1.26 -4.83 118.95 112.22 2yuu s ARG 66 Ca 0.61 -2.28 -0.19 0.00 -0.52 0.00 0.00 55.73 53.35 2yuu s ARG 66 Cb -0.07 -1.75 -0.06 0.00 0.52 0.00 0.00 34.95 33.59 2yuu s ARG 66 CO 0.48 -0.50 0.55 0.00 0.02 0.00 0.00 175.30 175.84 2yuu n THR 68 N 1.87 1.56 -1.38 0.00 -2.24 -1.26 -4.46 114.28 108.36 2yuu n THR 68 Ca -0.10 -0.76 -0.30 0.00 -2.27 0.00 0.00 64.05 60.61 2yuu n THR 68 Cb 0.51 -1.04 -0.07 0.00 -2.10 0.00 0.00 70.33 67.63 2yuu n THR 68 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2yuu n GLY 69 N 1.79 4.11 3.72 3.38 0.00 -1.26 -4.90 105.19 112.03 2yuu n GLY 69 Ca -0.28 -1.58 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 2yuu n GLY 69 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2yuu s THR 70 N 0.61 3.10 -0.41 2.61 -1.32 -1.26 -4.75 115.64 114.22 2yuu s THR 70 Ca 0.65 -1.72 0.03 0.00 -1.21 0.00 0.00 61.69 59.44 2yuu s THR 70 Cb 0.25 -2.97 0.11 0.00 -1.51 0.00 0.00 72.50 68.38 2yuu s THR 70 CO -0.07 -0.21 0.15 0.00 -2.21 0.00 0.00 174.62 172.28 2yuu s ALA 71 N -2.41 3.08 0.19 11.08 0.00 -1.26 -4.88 121.76 127.57 2yuu s ALA 71 Ca 0.37 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.55 2yuu s ALA 71 Cb -0.03 -2.13 0.00 0.00 0.00 0.00 0.00 23.12 20.96 2yuu s ALA 71 CO 0.22 -1.82 0.00 0.00 0.00 0.00 0.00 175.76 174.17 2yuu n ALA 72 N 3.96 3.00 -1.46 0.00 0.00 -1.26 -5.02 120.51 119.72 2yuu n ALA 72 Ca 0.04 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 53.04 2yuu n ALA 72 Cb 0.39 0.08 -0.12 0.00 0.00 0.00 0.00 19.45 19.80 2yuu n ALA 72 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2yuu n ASN 73 N -3.34 0.86 -3.64 0.00 2.85 -1.26 -4.82 115.26 105.90 2yuu n ASN 73 Ca 0.00 0.17 -0.06 0.00 -0.11 0.00 0.00 54.58 54.58 2yuu n ASN 73 Cb 0.00 -1.05 -0.07 0.00 1.24 0.00 0.00 39.78 39.90 2yuu n ASN 73 CO 0.00 0.00 0.00 -0.94 -2.11 0.00 0.00 177.26 174.21 2yuu s SER 74 N 8.89 -0.25 0.96 1.20 1.04 -1.26 -5.16 113.70 119.11 2yuu s SER 74 Ca 1.25 0.47 -0.16 0.00 0.48 0.00 0.00 55.95 57.99 2yuu s SER 74 Cb -1.09 0.47 -0.09 0.00 0.10 0.00 0.00 66.02 65.41 2yuu s SER 74 CO 0.48 -0.10 -0.36 -1.14 0.98 0.00 0.00 173.24 173.11 2yuu n ARG 75 N 1.79 -0.08 -1.24 4.02 3.00 -1.26 -4.79 116.66 118.10 2yuu n ARG 75 Ca -0.11 -0.01 -0.38 0.00 -0.00 0.00 0.00 57.85 57.35 2yuu n ARG 75 Cb 0.56 -1.30 0.02 0.00 0.00 0.00 0.00 32.46 31.75 2yuu n ARG 75 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2yuu n ASP 76 N 1.82 -3.49 -3.59 6.15 8.00 -1.26 -5.00 116.55 119.18 2yuu n ASP 76 Ca 0.01 0.60 -0.16 0.00 0.71 0.00 0.00 54.79 55.96 2yuu n ASP 76 Cb 0.55 -0.90 -0.07 0.00 -0.02 0.00 0.00 41.12 40.68 2yuu n ASP 76 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2yuu s THR 77 N -1.96 0.00 0.29 -3.53 -1.32 -1.26 -5.15 115.64 102.71 2yuu s THR 77 Ca 0.57 -0.02 -0.29 0.00 -1.21 0.00 0.00 61.69 60.73 2yuu s THR 77 Cb -0.44 -0.96 -0.10 0.00 -1.51 0.00 0.00 72.50 69.49 2yuu s THR 77 CO 0.66 -0.01 1.14 -0.55 -2.21 0.00 0.00 174.62 173.65 2yuu s SER 78 N -0.47 7.17 0.00 8.08 0.15 -1.26 -4.86 113.70 122.51 2yuu s SER 78 Ca -0.06 2.35 0.00 0.00 0.70 0.00 0.00 55.95 58.94 2yuu s SER 78 Cb -0.02 -2.63 0.00 0.00 -1.71 0.00 0.00 66.02 61.65 2yuu s SER 78 CO 0.05 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.89 2yuu n GLY 79 N 1.11 -0.75 3.61 9.45 0.00 -1.26 -5.17 105.19 112.18 2yuu n GLY 79 Ca -0.01 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2yuu n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yuu s PRO 80 N 0.00 -0.81 0.31 1.61 0.04 -1.26 -5.09 135.00 129.80 2yuu s PRO 80 Ca 0.00 0.08 0.03 0.00 0.04 0.00 0.00 61.00 61.15 2yuu s PRO 80 Cb 0.00 -1.63 -0.04 0.00 0.04 0.00 0.00 34.50 32.87 2yuu s PRO 80 CO 0.00 -3.47 0.14 -1.54 0.04 0.00 0.00 177.00 172.17 2yuu s SER 81 N -3.77 1.70 0.07 6.66 1.04 -1.26 -5.08 113.70 113.07 2yuu s SER 81 Ca 0.69 -1.53 -0.34 0.00 0.48 0.00 0.00 55.95 55.26 2yuu s SER 81 Cb -0.12 0.33 -0.18 0.00 0.10 0.00 0.00 66.02 66.15 2yuu s SER 81 CO 0.56 -0.85 1.61 -1.28 0.98 0.00 0.00 173.24 174.27 2yuu h SER 82 N 2.18 -0.91 0.00 7.02 0.87 -2.11 -3.58 113.55 117.02 2yuu h SER 82 Ca -0.35 0.04 0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2yuu h SER 82 Cb 1.25 0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.47 2yuu h SER 82 CO 0.55 -0.60 0.00 0.61 -0.53 0.00 0.00 176.83 176.86