#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 s LYS 2 N 0.00 0.54 -0.30 3.23 -0.14 -1.26 -4.98 119.74 116.83 1x60 s LYS 2 Ca 0.00 -0.43 -0.01 0.00 -1.36 0.00 0.00 55.97 54.18 1x60 s LYS 2 Cb 0.00 -0.46 0.00 0.00 -1.68 0.00 0.00 37.83 35.69 1x60 s LYS 2 CO 0.00 0.11 0.01 1.63 -0.76 0.00 0.00 175.35 176.35 1x60 n LYS 3 N 2.40 -3.58 -4.25 1.68 5.02 -1.26 -5.06 118.16 113.11 1x60 n LYS 3 Ca -0.16 2.85 -0.18 0.00 -2.02 0.00 0.00 58.31 58.79 1x60 n LYS 3 Cb 0.57 -5.38 -0.11 0.00 -0.02 0.00 0.00 35.03 30.08 1x60 n LYS 3 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1x60 s THR 4 N -1.58 1.36 0.00 -0.18 2.01 -1.26 -5.05 115.64 110.94 1x60 s THR 4 Ca -0.02 -1.72 0.00 0.00 0.31 0.00 0.00 61.69 60.27 1x60 s THR 4 Cb 0.00 -1.54 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1x60 s THR 4 CO 0.79 -0.40 0.00 -1.54 -0.69 0.00 0.00 174.62 172.78 1x60 n SER 5 N 0.55 0.34 -4.42 3.53 3.41 -1.26 -5.02 113.62 110.74 1x60 n SER 5 Ca -0.16 0.00 -0.44 0.00 -0.26 0.00 0.00 58.87 58.01 1x60 n SER 5 Cb 0.57 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.44 1x60 n SER 5 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1x60 s SER 6 N -4.42 6.17 0.20 4.04 0.15 -1.26 -5.00 113.70 113.57 1x60 s SER 6 Ca 0.00 -1.13 -0.13 0.00 0.70 0.00 0.00 55.95 55.39 1x60 s SER 6 Cb 0.00 -2.21 0.05 0.00 -1.71 0.00 0.00 66.02 62.15 1x60 s SER 6 CO 0.00 -0.68 0.63 -0.24 1.20 0.00 0.00 173.24 174.15 1x60 n SER 7 N 5.47 -1.41 -3.65 5.45 2.88 -1.26 -5.20 113.62 115.91 1x60 n SER 7 Ca -0.10 -1.87 -0.03 0.00 -1.33 0.00 0.00 58.87 55.53 1x60 n SER 7 Cb 0.45 2.32 -0.01 0.00 -0.75 0.00 0.00 64.21 66.22 1x60 n SER 7 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 1x60 s GLY 8 N -2.70 -0.34 -0.04 0.46 0.00 -1.24 -4.20 107.32 99.27 1x60 s GLY 8 Ca 0.13 0.64 -0.05 0.00 0.00 0.00 0.00 44.72 45.45 1x60 s GLY 8 CO 0.06 0.16 0.14 1.08 0.00 0.00 0.00 173.10 174.54 1x60 s LEU 9 N -2.78 1.50 -0.43 0.66 1.43 0.14 -4.90 118.68 114.29 1x60 s LEU 9 Ca 0.11 0.19 -0.14 0.00 -1.03 0.00 0.00 54.13 53.27 1x60 s LEU 9 Cb 0.01 0.50 0.05 0.00 0.03 0.00 0.00 46.19 46.78 1x60 s LEU 9 CO -0.02 -0.10 0.32 -0.31 0.23 0.00 0.00 176.35 176.47 1x60 s TYR 10 N -0.18 3.26 0.13 0.29 2.02 -0.83 -0.94 117.35 121.10 1x60 s TYR 10 Ca -0.03 -0.95 0.08 0.00 -0.37 0.00 0.00 57.07 55.80 1x60 s TYR 10 Cb -0.02 -2.89 -0.04 0.00 -0.40 0.00 0.00 41.96 38.61 1x60 s TYR 10 CO 0.00 -0.74 -0.18 0.15 -1.57 0.00 0.00 175.55 173.21 1x60 s LYS 11 N 1.60 1.16 -0.05 -0.62 1.02 -1.03 -0.80 119.74 121.02 1x60 s LYS 11 Ca 0.04 -1.27 -0.02 0.00 0.02 0.00 0.00 55.97 54.74 1x60 s LYS 11 Cb -0.22 -1.27 -0.04 0.00 -0.52 0.00 0.00 37.83 35.78 1x60 s LYS 11 CO 0.07 0.27 0.07 0.08 -0.92 0.00 0.00 175.35 174.92 1x60 s VAL 12 N -1.68 4.77 -0.02 3.17 1.01 -0.32 -1.44 120.40 125.88 1x60 s VAL 12 Ca 0.10 -0.23 0.01 0.00 0.00 0.00 0.00 61.98 61.87 1x60 s VAL 12 Cb -0.07 -3.10 0.01 0.00 0.00 0.00 0.00 36.38 33.21 1x60 s VAL 12 CO 0.05 0.49 -0.04 -1.58 0.00 0.00 0.00 175.10 174.01 1x60 s GLN 13 N -1.32 0.58 0.00 2.72 0.74 0.20 0.12 119.66 122.70 1x60 s GLN 13 Ca 0.18 -0.12 0.14 0.00 0.05 0.00 0.00 55.36 55.62 1x60 s GLN 13 Cb -0.12 -0.60 -0.03 0.00 1.10 0.00 0.00 33.01 33.36 1x60 s GLN 13 CO 0.08 -0.00 0.75 0.44 -0.55 0.00 0.00 175.29 176.01 1x60 n ILE 14 N 3.58 0.00 0.00 -2.34 -0.00 -0.76 0.38 119.36 120.22 1x60 n ILE 14 Ca -0.21 -0.32 0.00 0.00 -0.00 0.00 0.00 62.75 62.23 1x60 n ILE 14 Cb 0.54 1.14 0.00 0.00 -0.00 0.00 0.00 39.64 41.32 1x60 n ILE 14 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1x60 n GLY 15 N 1.12 0.96 3.30 3.28 0.00 -1.24 -4.53 105.19 108.08 1x60 n GLY 15 Ca 0.05 -1.23 -0.14 0.00 0.00 0.00 0.00 46.02 44.70 1x60 n GLY 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 16 N -1.98 -0.99 0.00 4.61 0.00 -1.26 0.36 121.76 122.50 1x60 s ALA 16 Ca 0.00 0.66 -0.18 0.00 0.00 0.00 0.00 51.96 52.44 1x60 s ALA 16 Cb 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 23.12 23.06 1x60 s ALA 16 CO 0.00 -0.26 0.40 -0.06 0.00 0.00 0.00 175.76 175.83 1x60 s PHE 17 N -0.99 -0.27 -0.29 0.00 0.40 0.33 -4.89 117.98 112.26 1x60 s PHE 17 Ca -0.10 0.37 0.20 0.00 -0.60 0.00 0.00 56.93 56.79 1x60 s PHE 17 Cb -0.04 0.18 1.06 0.00 0.51 0.00 0.00 43.02 44.73 1x60 s PHE 17 CO 0.04 -0.48 1.61 0.36 0.70 0.00 0.00 175.22 177.45 1x60 n LYS 18 N 0.95 0.13 -4.17 0.44 2.85 -1.26 0.74 118.16 117.84 1x60 n LYS 18 Ca -0.20 0.61 -0.34 0.00 -1.05 0.00 0.00 58.31 57.32 1x60 n LYS 18 Cb 0.57 -1.91 -0.11 0.00 -0.65 0.00 0.00 35.03 32.93 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 1x60 s VAL 19 N -3.48 4.24 0.17 0.58 1.01 -1.26 -4.67 120.40 116.98 1x60 s VAL 19 Ca -0.02 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 1x60 s VAL 19 Cb 0.06 -2.89 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 1x60 s VAL 19 CO 0.20 0.46 1.46 0.50 0.00 0.00 0.00 175.10 177.72 1x60 h LYS 20 N 6.93 0.60 -0.32 2.72 3.11 -1.96 -1.94 116.57 125.71 1x60 h LYS 20 Ca -0.34 -0.40 0.02 0.00 -2.81 0.00 0.00 60.65 57.12 1x60 h LYS 20 Cb 1.18 0.06 -0.02 0.00 -1.00 0.00 0.00 32.23 32.45 1x60 h LYS 20 CO 0.65 1.02 0.22 0.00 -2.81 0.00 0.00 179.45 178.52 1x60 h ALA 21 N 0.89 1.88 0.03 5.00 0.00 -1.96 0.35 119.26 125.45 1x60 h ALA 21 Ca -0.00 -0.02 -0.23 0.00 0.00 0.00 0.00 54.91 54.66 1x60 h ALA 21 Cb 1.16 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 1x60 h ALA 21 CO 0.11 0.08 -0.99 -0.91 0.00 0.00 0.00 179.25 177.55 1x60 h ASN 22 N 0.34 0.39 1.22 0.00 -0.26 -1.90 -2.55 115.58 112.82 1x60 h ASN 22 Ca 0.13 -0.34 0.00 0.00 -0.56 0.00 0.00 56.30 55.53 1x60 h ASN 22 Cb 0.10 -0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.24 1x60 h ASN 22 CO -0.03 1.17 0.00 0.00 -1.06 0.00 0.00 177.43 177.51 1x60 h ALA 23 N 0.80 1.00 0.18 -0.83 0.00 -0.11 -2.60 119.26 117.69 1x60 h ALA 23 Ca -0.08 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.50 1x60 h ALA 23 Cb 1.64 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.44 1x60 h ALA 23 CO 0.16 0.00 -1.60 0.22 0.00 0.00 0.00 179.25 178.03 1x60 h ASP 24 N 0.00 0.58 -0.40 0.00 3.58 -0.30 -2.67 116.42 117.21 1x60 h ASP 24 Ca 0.00 -0.78 -0.07 0.00 0.42 0.00 0.00 57.03 56.60 1x60 h ASP 24 Cb 0.61 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.45 1x60 h ASP 24 CO 0.00 1.64 -0.01 -1.28 -2.88 0.00 0.00 179.24 176.71 1x60 h SER 25 N 0.10 0.76 -0.07 2.28 0.87 -1.34 -1.82 113.55 114.34 1x60 h SER 25 Ca -0.28 -0.19 -0.02 0.00 -1.23 0.00 0.00 61.79 60.07 1x60 h SER 25 Cb 2.08 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 63.84 1x60 h SER 25 CO 0.19 0.83 -0.02 0.25 -0.53 0.00 0.00 176.83 177.55 1x60 h LEU 26 N 0.74 0.14 -2.23 2.23 5.85 -1.56 -2.34 115.31 118.14 1x60 h LEU 26 Ca 0.14 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.52 1x60 h LEU 26 Cb 0.46 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1x60 h LEU 26 CO 0.02 0.50 0.17 0.00 -0.34 0.00 0.00 178.44 178.79 1x60 h ALA 27 N 0.64 1.83 -0.10 1.25 0.00 -1.29 -0.72 119.26 120.86 1x60 h ALA 27 Ca 0.02 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.69 1x60 h ALA 27 Cb 0.44 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.26 1x60 h ALA 27 CO 0.01 -0.25 -0.83 0.77 0.00 0.00 0.00 179.25 178.95 1x60 h SER 28 N 0.00 0.90 -0.18 0.00 0.02 -0.97 -2.54 113.55 110.79 1x60 h SER 28 Ca 0.08 -0.67 0.01 0.00 -0.84 0.00 0.00 61.79 60.37 1x60 h SER 28 Cb 0.41 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 1x60 h SER 28 CO -0.00 1.43 0.09 -0.55 -1.14 0.00 0.00 176.83 176.66 1x60 h ASN 29 N 0.45 0.14 -0.69 3.07 -1.07 -0.61 -2.16 115.58 114.71 1x60 h ASN 29 Ca -0.08 0.01 -0.03 0.00 0.07 0.00 0.00 56.30 56.27 1x60 h ASN 29 Cb 1.47 -0.02 -0.03 0.00 -2.07 0.00 0.00 38.32 37.67 1x60 h ASN 29 CO 0.17 0.11 0.32 0.00 0.07 0.00 0.00 177.43 178.09 1x60 h ALA 30 N 1.09 1.22 -0.84 4.14 0.00 -1.56 -2.06 119.26 121.24 1x60 h ALA 30 Ca 0.07 -0.16 0.13 0.00 0.00 0.00 0.00 54.91 54.95 1x60 h ALA 30 Cb 0.01 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.45 1x60 h ALA 30 CO -0.04 0.59 0.55 1.49 0.00 0.00 0.00 179.25 181.83 1x60 h GLU 31 N 1.02 0.66 -0.27 0.00 4.81 -0.95 -1.53 114.58 118.31 1x60 h GLU 31 Ca 0.24 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.50 1x60 h GLU 31 Cb 0.14 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.31 1x60 h GLU 31 CO -0.03 0.43 -0.15 0.00 -0.73 0.00 0.00 179.01 178.53 1x60 h ALA 32 N 1.60 0.05 0.00 2.92 0.00 -0.86 0.31 119.26 123.29 1x60 h ALA 32 Ca 0.41 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1x60 h ALA 32 Cb 0.64 0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1x60 h ALA 32 CO -0.17 -0.56 -0.09 0.87 0.00 0.00 0.00 179.25 179.30 1x60 h LYS 33 N -0.12 0.00 0.00 0.00 1.79 -1.36 -3.45 116.57 113.42 1x60 h LYS 33 Ca 0.15 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.62 1x60 h LYS 33 Cb 0.34 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.99 1x60 h LYS 33 CO -0.35 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.52 1x60 n GLY 34 N -1.13 1.64 3.93 3.86 0.00 0.11 -5.13 105.19 108.47 1x60 n GLY 34 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 1x60 n GLY 34 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 35 N -2.00 3.41 -0.79 1.61 0.08 -0.98 -4.99 117.98 114.31 1x60 s PHE 35 Ca 0.00 0.02 -0.22 0.00 0.12 0.00 0.00 56.93 56.84 1x60 s PHE 35 Cb 0.00 -1.58 0.08 0.00 -0.57 0.00 0.00 43.02 40.95 1x60 s PHE 35 CO 0.00 0.48 1.11 0.34 -0.10 0.00 0.00 175.22 177.05 1x60 s ASP 36 N -3.66 6.34 0.52 1.36 2.15 -1.26 -4.09 116.67 118.04 1x60 s ASP 36 Ca 0.34 -1.27 -0.15 0.00 0.43 0.00 0.00 52.55 51.89 1x60 s ASP 36 Cb -0.10 -2.45 -0.07 0.00 -0.30 0.00 0.00 42.92 40.00 1x60 s ASP 36 CO 0.28 -1.40 0.98 -0.94 -0.17 0.00 0.00 175.17 173.92 1x60 s SER 37 N 3.85 6.57 -0.21 -0.34 1.04 -1.26 -2.14 113.70 121.21 1x60 s SER 37 Ca 0.30 1.52 -0.20 0.00 0.48 0.00 0.00 55.95 58.06 1x60 s SER 37 Cb -0.10 -2.49 0.05 0.00 0.10 0.00 0.00 66.02 63.58 1x60 s SER 37 CO 0.03 -0.61 0.56 -0.51 0.98 0.00 0.00 173.24 173.69 1x60 s ILE 38 N -2.68 -0.00 -0.22 -1.02 2.07 0.46 -4.95 121.20 114.85 1x60 s ILE 38 Ca 0.58 0.00 -0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1x60 s ILE 38 Cb -0.10 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.73 1x60 s ILE 38 CO 0.34 0.00 -0.11 -0.69 -1.91 0.00 0.00 174.94 172.57 1x60 s VAL 39 N 0.30 2.52 -0.10 4.00 1.01 -1.25 -1.29 120.40 125.60 1x60 s VAL 39 Ca -0.00 -1.05 0.03 0.00 0.00 0.00 0.00 61.98 60.96 1x60 s VAL 39 Cb -0.04 -2.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1x60 s VAL 39 CO 0.01 0.30 -0.23 -0.22 0.00 0.00 0.00 175.10 174.96 1x60 s LEU 40 N 1.29 2.18 -0.35 3.92 2.96 -0.82 -4.89 118.68 122.97 1x60 s LEU 40 Ca 0.01 -0.53 -0.20 0.00 -0.22 0.00 0.00 54.13 53.19 1x60 s LEU 40 Cb -0.16 -1.44 0.00 0.00 0.50 0.00 0.00 46.19 45.10 1x60 s LEU 40 CO -0.07 0.16 0.63 -0.22 -1.32 0.00 0.00 176.35 175.53 1x60 s LEU 41 N 0.33 4.24 0.11 -0.68 2.96 -1.26 -0.41 118.68 123.98 1x60 s LEU 41 Ca -0.18 0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1x60 s LEU 41 Cb -0.18 -2.79 -0.04 0.00 0.50 0.00 0.00 46.19 43.69 1x60 s LEU 41 CO 0.08 -0.58 0.09 -1.59 -1.32 0.00 0.00 176.35 173.03 1x60 s LYS 42 N 2.69 2.83 0.00 1.98 0.00 0.23 -4.90 119.74 122.56 1x60 s LYS 42 Ca 0.24 -0.79 0.00 0.00 0.00 0.00 0.00 55.97 55.43 1x60 s LYS 42 Cb -0.15 -2.66 0.00 0.00 0.00 0.00 0.00 37.83 35.02 1x60 s LYS 42 CO 0.14 0.53 0.00 -3.47 0.00 0.00 0.00 175.35 172.55 1x60 n ASP 43 N 0.16 0.00 -0.97 0.03 -0.08 -1.26 0.15 116.55 114.59 1x60 n ASP 43 Ca -0.09 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.20 1x60 n ASP 43 Cb 0.53 0.00 -0.00 0.00 2.34 0.00 0.00 41.12 43.99 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1x60 n GLY 44 N 0.00 0.76 3.26 0.27 0.00 -1.26 -5.11 105.19 103.11 1x60 n GLY 44 Ca 0.00 -0.33 -0.14 0.00 0.00 0.00 0.00 46.02 45.54 1x60 n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 45 N 0.00 2.42 -0.07 0.99 1.43 0.41 -4.54 118.68 119.32 1x60 s LEU 45 Ca 0.13 -1.07 0.03 0.00 -1.03 0.00 0.00 54.13 52.19 1x60 s LEU 45 Cb 0.15 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 46.06 1x60 s LEU 45 CO -0.07 -0.40 -0.16 -0.31 0.23 0.00 0.00 176.35 175.64 1x60 s TYR 46 N -3.39 2.67 0.06 0.29 1.51 0.23 0.74 117.35 119.45 1x60 s TYR 46 Ca 0.19 -0.43 0.04 0.00 -1.01 0.00 0.00 57.07 55.86 1x60 s TYR 46 Cb 0.04 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.16 1x60 s TYR 46 CO 0.02 -0.03 -0.00 0.15 -1.11 0.00 0.00 175.55 174.58 1x60 s LYS 47 N -0.28 2.60 -0.36 -0.62 3.01 0.46 0.12 119.74 124.68 1x60 s LYS 47 Ca 0.01 -0.78 0.04 0.00 -1.01 0.00 0.00 55.97 54.23 1x60 s LYS 47 Cb -0.13 -2.57 0.10 0.00 -1.01 0.00 0.00 37.83 34.23 1x60 s LYS 47 CO 0.03 0.56 0.07 0.08 0.51 0.00 0.00 175.35 176.60 1x60 s VAL 48 N -1.24 2.31 -0.09 3.17 1.01 0.16 -1.94 120.40 123.77 1x60 s VAL 48 Ca 0.24 -2.44 -0.05 0.00 0.00 0.00 0.00 61.98 59.73 1x60 s VAL 48 Cb -0.12 -2.70 -0.04 0.00 0.00 0.00 0.00 36.38 33.53 1x60 s VAL 48 CO 0.16 -0.62 0.09 -1.58 0.00 0.00 0.00 175.10 173.15 1x60 s GLN 49 N 0.79 3.26 -0.07 2.72 0.74 -0.41 -1.83 119.66 124.87 1x60 s GLN 49 Ca 0.12 -0.26 -0.00 0.00 0.05 0.00 0.00 55.36 55.26 1x60 s GLN 49 Cb -0.20 -3.03 0.03 0.00 1.10 0.00 0.00 33.01 30.91 1x60 s GLN 49 CO -0.07 0.74 -0.03 0.96 -0.55 0.00 0.00 175.29 176.34 1x60 s ILE 50 N -1.02 0.55 -0.01 -2.34 -5.25 0.33 -0.40 121.20 113.07 1x60 s ILE 50 Ca 0.16 -0.03 -0.01 0.00 -0.99 0.00 0.00 60.65 59.78 1x60 s ILE 50 Cb -0.12 -0.64 0.00 0.00 2.95 0.00 0.00 42.46 44.66 1x60 s ILE 50 CO 0.05 0.27 0.01 0.61 -1.79 0.00 0.00 174.94 174.10 1x60 n GLY 51 N 4.76 -3.12 3.04 6.27 0.00 -0.91 -3.15 105.19 112.08 1x60 n GLY 51 Ca -0.14 -0.31 -0.29 0.00 0.00 0.00 0.00 46.02 45.29 1x60 n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x60 s ALA 52 N -0.06 1.69 0.27 4.61 0.00 -1.26 -1.17 121.76 125.84 1x60 s ALA 52 Ca -0.02 -0.74 0.02 0.00 0.00 0.00 0.00 51.96 51.22 1x60 s ALA 52 Cb 0.00 -0.86 -0.03 0.00 0.00 0.00 0.00 23.12 22.23 1x60 s ALA 52 CO 0.04 -0.14 0.24 -0.06 0.00 0.00 0.00 175.76 175.85 1x60 s PHE 53 N 1.09 1.35 -0.55 0.00 0.40 0.02 -5.00 117.98 115.29 1x60 s PHE 53 Ca -0.04 -1.45 0.24 0.00 -0.60 0.00 0.00 56.93 55.08 1x60 s PHE 53 Cb -0.14 -0.54 0.44 0.00 0.51 0.00 0.00 43.02 43.29 1x60 s PHE 53 CO -0.03 -0.79 1.52 1.03 0.70 0.00 0.00 175.22 177.65 1x60 h SER 54 N 2.37 0.00 -3.32 1.36 0.87 -1.95 -2.22 113.55 110.66 1x60 h SER 54 Ca -0.30 -0.04 -0.65 0.00 -1.23 0.00 0.00 61.79 59.56 1x60 h SER 54 Cb 1.24 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.44 0.02 -0.74 -0.55 -0.53 0.00 0.00 176.83 175.48 1x60 s SER 55 N -5.14 4.24 0.41 6.23 0.15 -1.26 -4.68 113.70 113.65 1x60 s SER 55 Ca 0.07 -0.29 0.11 0.00 0.70 0.00 0.00 55.95 56.54 1x60 s SER 55 Cb 0.10 -1.67 0.92 0.00 -1.71 0.00 0.00 66.02 63.66 1x60 s SER 55 CO 0.67 0.14 1.97 0.50 1.20 0.00 0.00 173.24 177.73 1x60 h LYS 56 N 6.87 0.52 -0.89 5.44 3.11 -1.89 -1.01 116.57 128.72 1x60 h LYS 56 Ca -0.29 -0.03 0.23 0.00 -2.81 0.00 0.00 60.65 57.75 1x60 h LYS 56 Cb 1.20 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 32.26 1x60 h LYS 56 CO 0.58 0.34 0.61 0.22 -2.81 0.00 0.00 179.45 178.40 1x60 h ASP 57 N 0.54 0.21 -0.02 4.20 1.82 -1.98 0.20 116.42 121.40 1x60 h ASP 57 Ca 0.29 0.02 -0.01 0.00 -0.39 0.00 0.00 57.03 56.95 1x60 h ASP 57 Cb 0.45 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.45 1x60 h ASP 57 CO -0.09 0.08 -0.02 0.78 -1.61 0.00 0.00 179.24 178.37 1x60 h ASN 58 N 0.21 0.05 -0.86 2.28 2.35 -1.57 -2.57 115.58 115.47 1x60 h ASN 58 Ca 0.45 -0.52 0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1x60 h ASN 58 Cb 1.42 -0.01 -0.05 0.00 0.05 0.00 0.00 38.32 39.73 1x60 h ASN 58 CO -0.10 0.56 0.56 0.00 -1.65 0.00 0.00 177.43 176.80 1x60 h ALA 59 N 0.49 1.11 0.11 -0.83 0.00 -1.16 -1.53 119.26 117.45 1x60 h ALA 59 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 59 Cb 0.55 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 18.02 1x60 h ALA 59 CO 0.01 0.43 -0.06 -0.44 0.00 0.00 0.00 179.25 179.19 1x60 h ASP 60 N 1.11 -0.14 -0.65 0.00 5.19 -1.05 0.30 116.42 121.18 1x60 h ASP 60 Ca 0.33 0.01 0.04 0.00 -0.62 0.00 0.00 57.03 56.78 1x60 h ASP 60 Cb -0.05 0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.46 1x60 h ASP 60 CO -0.10 -0.10 0.43 0.74 -3.12 0.00 0.00 179.24 177.10 1x60 h THR 61 N -0.16 1.08 0.08 0.35 2.02 -1.17 -0.79 112.91 114.32 1x60 h THR 61 Ca -0.01 -0.26 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1x60 h THR 61 Cb 0.12 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1x60 h THR 61 CO 0.02 0.14 -0.04 0.25 0.37 0.00 0.00 175.52 176.26 1x60 h LEU 62 N 0.75 -0.09 0.27 2.58 7.12 -0.83 -2.41 115.31 122.70 1x60 h LEU 62 Ca 0.26 -0.42 0.00 0.00 0.13 0.00 0.00 57.88 57.86 1x60 h LEU 62 Cb 0.11 0.02 -0.04 0.00 -0.53 0.00 0.00 40.66 40.22 1x60 h LEU 62 CO -0.07 0.40 -0.45 0.00 -0.13 0.00 0.00 178.44 178.18 1x60 h ALA 63 N 0.23 -0.91 -0.89 1.25 0.00 -0.02 0.13 119.26 119.06 1x60 h ALA 63 Ca -0.01 -0.12 0.16 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.51 0.72 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1x60 h ALA 63 CO 0.02 -1.07 0.57 0.00 0.00 0.00 0.00 179.25 178.78 1x60 h ALA 64 N -0.46 1.90 -0.67 0.00 0.00 -1.26 0.29 119.26 119.07 1x60 h ALA 64 Ca -0.01 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 64 Cb 0.75 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.41 1x60 h ALA 64 CO -0.17 -0.16 0.19 -0.09 0.00 0.00 0.00 179.25 179.02 1x60 h ARG 65 N 0.63 1.04 -0.63 0.00 2.43 -0.73 0.24 114.38 117.37 1x60 h ARG 65 Ca 0.45 -0.22 -0.07 0.00 -0.81 0.00 0.00 59.98 59.32 1x60 h ARG 65 Cb 0.81 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 30.19 1x60 h ARG 65 CO -0.20 0.90 0.10 0.00 -1.51 0.00 0.00 179.97 179.26 1x60 h ALA 66 N 1.20 0.84 -0.24 2.80 0.00 0.22 0.77 119.26 124.84 1x60 h ALA 66 Ca 0.22 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 66 Cb 0.32 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1x60 h ALA 66 CO -0.00 0.60 0.12 0.87 0.00 0.00 0.00 179.25 180.84 1x60 h LYS 67 N 0.96 0.35 0.00 0.00 1.57 0.15 1.31 116.57 120.90 1x60 h LYS 67 Ca 0.19 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 1x60 h LYS 67 Cb 0.43 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1x60 h LYS 67 CO 0.01 0.34 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.00 1x60 h ASN 68 N 0.27 0.00 1.54 0.86 -0.73 -0.68 -2.32 115.58 114.52 1x60 h ASN 68 Ca 0.08 0.00 -0.03 0.00 1.87 0.00 0.00 56.30 58.22 1x60 h ASN 68 Cb 0.10 0.00 -0.00 0.00 0.27 0.00 0.00 38.32 38.68 1x60 h ASN 68 CO -0.01 0.26 -0.17 0.00 -0.37 0.00 0.00 177.43 177.14 1x60 h ALA 69 N 1.74 0.92 0.00 1.57 0.00 0.16 -3.47 119.26 120.19 1x60 h ALA 69 Ca -0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1x60 h ALA 69 Cb 0.63 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1x60 h ALA 69 CO 0.03 0.21 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1x60 n GLY 70 N 0.81 1.71 3.15 0.00 0.00 0.37 -5.04 105.19 106.20 1x60 n GLY 70 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1x60 n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1x60 s PHE 71 N -2.00 1.18 -1.21 1.61 0.08 0.42 -4.98 117.98 113.08 1x60 s PHE 71 Ca 0.00 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.68 0.20 0.00 -0.57 0.00 0.00 43.02 41.98 1x60 s PHE 71 CO 0.00 0.04 1.59 -3.47 -0.10 0.00 0.00 175.22 173.28 1x60 n ASP 72 N 1.50 5.38 -4.80 1.36 -0.08 -1.26 -1.39 116.55 117.25 1x60 n ASP 72 Ca -0.20 -3.10 -0.38 0.00 -1.51 0.00 0.00 54.79 49.60 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.48 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1x60 s ALA 73 N 0.13 3.47 0.06 -1.67 0.00 -1.26 -4.06 121.76 118.42 1x60 s ALA 73 Ca 0.38 0.19 0.02 0.00 0.00 0.00 0.00 51.96 52.56 1x60 s ALA 73 Cb 0.03 -2.81 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1x60 s ALA 73 CO 0.01 0.34 -0.08 0.96 0.00 0.00 0.00 175.76 176.99 1x60 s ILE 74 N -1.33 0.63 -0.14 0.00 -4.36 0.16 -4.65 121.20 111.52 1x60 s ILE 74 Ca 0.38 -1.36 -0.06 0.00 -0.26 0.00 0.00 60.65 59.35 1x60 s ILE 74 Cb -0.19 -0.97 -0.04 0.00 1.25 0.00 0.00 42.46 42.51 1x60 s ILE 74 CO 0.22 -0.52 0.08 -0.69 0.24 0.00 0.00 174.94 174.27 1x60 s VAL 75 N -2.06 4.95 -0.00 8.37 1.01 -1.26 0.61 120.40 132.01 1x60 s VAL 75 Ca -0.03 0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1x60 s VAL 75 Cb -0.05 -3.17 -0.00 0.00 0.00 0.00 0.00 36.38 33.16 1x60 s VAL 75 CO -0.01 0.55 -0.02 -0.51 0.00 0.00 0.00 175.10 175.12 1x60 s ILE 76 N -0.43 0.12 -0.50 2.22 2.07 -0.52 -5.00 121.20 119.17 1x60 s ILE 76 Ca 0.10 -0.06 -0.19 0.00 -1.41 0.00 0.00 60.65 59.09 1x60 s ILE 76 Cb -0.12 -0.11 0.06 0.00 0.13 0.00 0.00 42.46 42.42 1x60 s ILE 76 CO 0.02 0.04 0.60 -0.22 -1.91 0.00 0.00 174.94 173.47 1x60 s LEU 77 N -0.03 4.99 -0.23 8.50 2.96 -1.25 -2.45 118.68 131.16 1x60 s LEU 77 Ca 0.00 -0.91 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 1x60 s LEU 77 Cb -0.01 -2.44 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1x60 s LEU 77 CO -0.00 -0.86 0.20 -1.61 -1.32 0.00 0.00 176.35 172.76 1x60 s GLU 78 N 2.55 4.08 0.00 1.98 2.02 -0.11 -4.77 118.70 124.46 1x60 s GLU 78 Ca 0.15 -0.20 0.00 0.00 0.02 0.00 0.00 54.97 54.94 1x60 s GLU 78 Cb -0.19 -3.54 0.00 0.00 0.10 0.00 0.00 34.13 30.50 1x60 s GLU 78 CO 0.12 0.04 0.46 0.43 0.02 0.00 0.00 175.26 176.33