#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x60 n LYS 2 N 0.00 0.00 -3.50 3.23 0.00 -1.26 -5.02 118.16 111.61 1x60 n LYS 2 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 58.31 57.89 1x60 n LYS 2 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 35.03 34.87 1x60 n LYS 2 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 1x60 s LYS 3 N -1.74 3.04 0.00 1.64 1.02 -1.26 -4.74 119.74 117.69 1x60 s LYS 3 Ca 0.00 -2.36 0.00 0.00 0.02 0.00 0.00 55.97 53.63 1x60 s LYS 3 Cb 0.00 -4.10 0.00 0.00 -0.52 0.00 0.00 37.83 33.21 1x60 s LYS 3 CO 0.00 -1.24 0.00 2.41 -0.92 0.00 0.00 175.35 175.60 1x60 n THR 4 N 3.98 0.00 -3.60 2.17 -1.04 -1.26 -5.11 114.28 109.43 1x60 n THR 4 Ca 0.07 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.07 1x60 n THR 4 Cb 0.42 -0.70 -0.06 0.00 -1.82 0.00 0.00 70.33 68.17 1x60 n THR 4 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1x60 s SER 5 N -4.41 -0.47 -0.53 8.00 0.01 -1.26 -5.04 113.70 110.01 1x60 s SER 5 Ca 0.00 0.72 0.01 0.00 1.31 0.00 0.00 55.95 58.00 1x60 s SER 5 Cb 0.00 1.27 0.54 0.00 0.21 0.00 0.00 66.02 68.03 1x60 s SER 5 CO 0.00 -0.11 1.95 -0.24 0.41 0.00 0.00 173.24 175.25 1x60 n SER 6 N 3.87 5.53 -0.10 2.44 2.88 -1.26 -4.26 113.62 122.73 1x60 n SER 6 Ca -0.17 -3.62 -0.10 0.00 -1.33 0.00 0.00 58.87 53.65 1x60 n SER 6 Cb 0.57 -0.90 -0.15 0.00 -0.75 0.00 0.00 64.21 62.97 1x60 n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1x60 n SER 7 N -0.94 0.32 -3.61 -3.46 2.88 -1.26 -4.98 113.62 102.58 1x60 n SER 7 Ca 0.58 -0.01 -0.03 0.00 -1.33 0.00 0.00 58.87 58.09 1x60 n SER 7 Cb 1.17 0.89 -0.02 0.00 -0.75 0.00 0.00 64.21 65.50 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 -5.46 -0.31 -0.05 0.46 0.00 -1.26 -4.35 107.32 96.35 1x60 s GLY 8 Ca -0.11 1.46 -0.05 0.00 0.00 0.00 0.00 44.72 46.02 1x60 s GLY 8 CO 0.78 0.46 0.14 1.08 0.00 0.00 0.00 173.10 175.57 1x60 s LEU 9 N -2.32 1.41 -0.44 0.66 1.02 0.29 -4.88 118.68 114.41 1x60 s LEU 9 Ca 0.11 0.29 -0.14 0.00 0.02 0.00 0.00 54.13 54.40 1x60 s LEU 9 Cb 0.00 0.48 0.06 0.00 0.02 0.00 0.00 46.19 46.75 1x60 s LEU 9 CO -0.04 -0.06 0.34 -0.31 0.02 0.00 0.00 176.35 176.30 1x60 s TYR 10 N 0.15 3.26 0.13 0.29 2.02 -0.81 -0.29 117.35 122.11 1x60 s TYR 10 Ca -0.01 -0.96 0.08 0.00 -0.37 0.00 0.00 57.07 55.82 1x60 s TYR 10 Cb -0.02 -2.94 -0.04 0.00 -0.40 0.00 0.00 41.96 38.56 1x60 s TYR 10 CO -0.00 -0.75 -0.19 0.15 -1.57 0.00 0.00 175.55 173.19 1x60 s LYS 11 N 1.61 1.17 -0.12 -0.62 1.02 -1.03 -0.93 119.74 120.84 1x60 s LYS 11 Ca 0.04 -1.26 -0.04 0.00 0.02 0.00 0.00 55.97 54.73 1x60 s LYS 11 Cb -0.22 -1.31 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1x60 s LYS 11 CO 0.07 0.29 0.03 0.08 -0.92 0.00 0.00 175.35 174.89 1x60 s VAL 12 N -1.60 4.52 -0.04 3.17 1.01 0.02 -1.41 120.40 126.08 1x60 s VAL 12 Ca 0.10 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 61.96 1x60 s VAL 12 Cb -0.08 -2.95 -0.00 0.00 0.00 0.00 0.00 36.38 33.35 1x60 s VAL 12 CO 0.05 0.56 -0.14 -1.58 0.00 0.00 0.00 175.10 173.99 1x60 s GLN 13 N -0.49 1.51 0.00 2.72 0.74 0.19 0.13 119.66 124.45 1x60 s GLN 13 Ca 0.09 -0.51 0.14 0.00 0.05 0.00 0.00 55.36 55.14 1x60 s GLN 13 Cb -0.12 -1.33 -0.04 0.00 1.10 0.00 0.00 33.01 32.61 1x60 s GLN 13 CO 0.02 0.20 0.73 0.44 -0.55 0.00 0.00 175.29 176.13 1x60 n ILE 14 N 3.19 0.00 0.00 -2.34 -0.00 -0.71 0.41 119.36 119.91 1x60 n ILE 14 Ca -0.18 -0.31 0.00 0.00 -0.00 0.00 0.00 62.75 62.26 1x60 n ILE 14 Cb 0.53 1.12 0.00 0.00 -0.00 0.00 0.00 39.64 41.30 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 1.14 1.03 3.30 3.28 0.00 -1.23 -4.49 105.19 108.21 1x60 n GLY 15 Ca 0.05 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.00 -0.99 -0.02 4.61 0.00 -1.26 -0.14 121.76 121.95 1x60 s ALA 16 Ca 0.00 0.97 -0.20 0.00 0.00 0.00 0.00 51.96 52.73 1x60 s ALA 16 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 23.12 22.69 1x60 s ALA 16 CO 0.00 -0.22 0.44 -0.06 0.00 0.00 0.00 175.76 175.93 1x60 s PHE 17 N -0.19 -0.35 -0.10 0.00 0.40 0.35 -4.93 117.98 113.16 1x60 s PHE 17 Ca -0.04 0.55 0.24 0.00 -0.60 0.00 0.00 56.93 57.08 1x60 s PHE 17 Cb -0.03 0.21 1.31 0.00 0.51 0.00 0.00 43.02 45.02 1x60 s PHE 17 CO 0.02 -0.48 1.74 1.57 0.70 0.00 0.00 175.22 178.77 1x60 h LYS 18 N 3.51 0.00 -5.21 0.44 2.10 -1.83 0.63 116.57 116.21 1x60 h LYS 18 Ca -0.29 0.00 -0.64 0.00 -2.00 0.00 0.00 60.65 57.72 1x60 h LYS 18 Cb 1.17 0.00 -0.21 0.00 -0.90 0.00 0.00 32.23 32.28 1x60 h LYS 18 CO 0.40 0.00 -0.65 0.08 -2.00 0.00 0.00 179.45 177.28 1x60 s VAL 19 N -3.62 4.07 0.14 0.07 1.01 -1.26 -4.61 120.40 116.21 1x60 s VAL 19 Ca -0.03 -0.28 -0.08 0.00 0.00 0.00 0.00 61.98 61.59 1x60 s VAL 19 Cb 0.07 -2.82 -0.11 0.00 0.00 0.00 0.00 36.38 33.52 1x60 s VAL 19 CO 0.22 0.45 1.40 0.50 0.00 0.00 0.00 175.10 177.67 1x60 h LYS 20 N 7.10 0.70 -0.79 2.72 3.11 -1.93 -2.64 116.57 124.84 1x60 h LYS 20 Ca -0.34 -0.50 0.15 0.00 -2.81 0.00 0.00 60.65 57.14 1x60 h LYS 20 Cb 1.18 0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 32.44 1x60 h LYS 20 CO 0.63 1.12 0.52 0.00 -2.81 0.00 0.00 179.45 178.91 1x60 h ALA 21 N 0.75 2.05 -0.03 5.00 0.00 -1.96 0.78 119.26 125.85 1x60 h ALA 21 Ca -0.02 0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.73 1x60 h ALA 21 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 1x60 h ALA 21 CO 0.13 -0.26 -0.73 -0.91 0.00 0.00 0.00 179.25 177.48 1x60 h ASN 22 N 0.48 0.23 1.38 0.00 2.35 -1.92 -2.64 115.58 115.45 1x60 h ASN 22 Ca 0.39 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 1x60 h ASN 22 Cb 0.81 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 39.12 1x60 h ASN 22 CO -0.14 0.88 0.00 0.00 -1.65 0.00 0.00 177.43 176.52 1x60 h ALA 23 N 1.11 1.00 0.20 -0.83 0.00 0.72 -2.57 119.26 118.90 1x60 h ALA 23 Ca -0.02 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.56 1x60 h ALA 23 Cb 1.29 0.00 0.02 0.00 0.00 0.00 0.00 17.79 19.10 1x60 h ALA 23 CO 0.11 0.00 -1.54 0.22 0.00 0.00 0.00 179.25 178.04 1x60 h ASP 24 N 0.00 0.67 -0.18 0.00 1.82 -0.16 -2.70 116.42 115.87 1x60 h ASP 24 Ca 0.00 -0.81 -0.12 0.00 -0.39 0.00 0.00 57.03 55.71 1x60 h ASP 24 Cb 0.69 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 40.47 1x60 h ASP 24 CO 0.00 1.65 -0.31 -1.28 -1.61 0.00 0.00 179.24 177.70 1x60 h SER 25 N 0.12 0.70 0.14 2.28 0.87 -1.42 -2.00 113.55 114.24 1x60 h SER 25 Ca -0.26 -0.28 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 1x60 h SER 25 Cb 2.11 -0.19 0.00 0.00 -0.44 0.00 0.00 62.40 63.88 1x60 h SER 25 CO 0.23 0.96 -0.07 0.25 -0.53 0.00 0.00 176.83 177.66 1x60 h LEU 26 N 0.57 -0.16 -2.11 2.23 5.85 -1.55 -2.46 115.31 117.68 1x60 h LEU 26 Ca 0.07 -0.22 0.05 0.00 0.84 0.00 0.00 57.88 58.62 1x60 h LEU 26 Cb 0.81 0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 1x60 h LEU 26 CO 0.07 0.13 0.13 0.00 -0.34 0.00 0.00 178.44 178.43 1x60 h ALA 27 N 0.33 2.01 -0.46 1.25 0.00 -1.44 -0.90 119.26 120.06 1x60 h ALA 27 Ca -0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 1x60 h ALA 27 Cb 0.37 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1x60 h ALA 27 CO 0.03 -0.21 -0.08 0.77 0.00 0.00 0.00 179.25 179.76 1x60 h SER 28 N 0.00 0.87 -0.22 0.00 0.02 -1.01 -2.32 113.55 110.90 1x60 h SER 28 Ca 0.08 -0.35 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1x60 h SER 28 Cb 0.33 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.62 1x60 h SER 28 CO -0.00 1.02 0.14 -0.55 -1.14 0.00 0.00 176.83 176.29 1x60 h ASN 29 N 0.72 0.23 -0.81 3.07 7.08 -0.71 -2.44 115.58 122.71 1x60 h ASN 29 Ca 0.12 -0.00 0.03 0.00 -3.08 0.00 0.00 56.30 53.37 1x60 h ASN 29 Cb 0.62 -0.05 -0.05 0.00 -2.08 0.00 0.00 38.32 36.76 1x60 h ASN 29 CO 0.04 0.17 0.52 0.00 -2.08 0.00 0.00 177.43 176.08 1x60 h ALA 30 N 1.09 1.06 -0.84 4.14 0.00 -1.44 -1.42 119.26 121.85 1x60 h ALA 30 Ca 0.08 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.06 1x60 h ALA 30 Cb -0.02 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 17.43 1x60 h ALA 30 CO -0.03 0.35 0.55 1.49 0.00 0.00 0.00 179.25 181.61 1x60 h GLU 31 N 1.02 0.76 -0.26 0.00 4.81 -0.99 -1.52 114.58 118.39 1x60 h GLU 31 Ca 0.32 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.57 1x60 h GLU 31 Cb 0.00 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 1x60 h GLU 31 CO -0.11 0.50 -0.13 0.00 -0.73 0.00 0.00 179.01 178.54 1x60 h ALA 32 N 1.58 0.08 0.00 2.92 0.00 -0.80 0.28 119.26 123.32 1x60 h ALA 32 Ca 0.39 0.10 -0.02 0.00 0.00 0.00 0.00 54.91 55.38 1x60 h ALA 32 Cb 0.46 0.32 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1x60 h ALA 32 CO -0.16 -0.54 -0.11 0.87 0.00 0.00 0.00 179.25 179.31 1x60 h LYS 33 N -0.10 0.00 0.00 0.00 1.79 -1.28 -3.46 116.57 113.52 1x60 h LYS 33 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1x60 h LYS 33 Cb 0.31 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.96 1x60 h LYS 33 CO -0.33 0.11 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1x60 n GLY 34 N -1.12 1.72 3.92 3.86 0.00 0.99 -5.13 105.19 109.43 1x60 n GLY 34 Ca -0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.78 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 3.33 -0.80 1.61 0.08 -0.82 -4.98 117.98 114.40 1x60 s PHE 35 Ca 0.00 -0.05 -0.21 0.00 0.12 0.00 0.00 56.93 56.79 1x60 s PHE 35 Cb 0.00 -1.51 0.10 0.00 -0.57 0.00 0.00 43.02 41.03 1x60 s PHE 35 CO 0.00 0.47 1.06 0.16 -0.10 0.00 0.00 175.22 176.81 1x60 s ASP 36 N -3.90 6.40 0.54 1.36 -4.77 -1.26 -3.99 116.67 111.04 1x60 s ASP 36 Ca 0.34 -1.50 -0.14 0.00 -3.30 0.00 0.00 52.55 47.95 1x60 s ASP 36 Cb -0.09 -2.42 -0.06 0.00 -1.09 0.00 0.00 42.92 39.26 1x60 s ASP 36 CO 0.27 -1.27 0.98 -0.94 0.70 0.00 0.00 175.17 174.91 1x60 s SER 37 N 3.74 6.47 -0.21 2.11 1.04 -1.26 -2.66 113.70 122.94 1x60 s SER 37 Ca 0.28 1.46 -0.16 0.00 0.48 0.00 0.00 55.95 58.02 1x60 s SER 37 Cb -0.11 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.60 1x60 s SER 37 CO -0.00 -0.67 0.53 -0.51 0.98 0.00 0.00 173.24 173.57 1x60 s ILE 38 N -2.81 -0.01 -0.30 -1.02 2.07 0.11 -4.96 121.20 114.29 1x60 s ILE 38 Ca 0.57 0.02 -0.04 0.00 -1.41 0.00 0.00 60.65 59.79 1x60 s ILE 38 Cb -0.10 -0.76 0.03 0.00 0.13 0.00 0.00 42.46 41.76 1x60 s ILE 38 CO 0.40 0.01 0.03 -0.69 -1.91 0.00 0.00 174.94 172.78 1x60 s VAL 39 N 0.79 3.39 -0.11 4.00 1.01 -1.26 -1.51 120.40 126.72 1x60 s VAL 39 Ca -0.04 -1.10 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1x60 s VAL 39 Cb -0.05 -2.85 -0.02 0.00 0.00 0.00 0.00 36.38 33.46 1x60 s VAL 39 CO -0.06 -0.03 -0.14 -0.22 0.00 0.00 0.00 175.10 174.65 1x60 s LEU 40 N 1.36 2.66 -0.41 3.92 2.96 -0.85 -4.91 118.68 123.41 1x60 s LEU 40 Ca -0.02 -0.32 -0.21 0.00 -0.22 0.00 0.00 54.13 53.36 1x60 s LEU 40 Cb -0.19 -1.58 0.02 0.00 0.50 0.00 0.00 46.19 44.94 1x60 s LEU 40 CO 0.00 0.20 0.67 -0.22 -1.32 0.00 0.00 176.35 175.69 1x60 s LEU 41 N 0.11 4.35 0.12 -0.68 2.96 -1.26 -1.00 118.68 123.28 1x60 s LEU 41 Ca -0.07 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.78 1x60 s LEU 41 Cb -0.15 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.70 1x60 s LEU 41 CO 0.05 -0.74 0.13 -1.59 -1.32 0.00 0.00 176.35 172.88 1x60 s LYS 42 N 2.88 2.98 0.00 1.98 0.00 0.21 -4.91 119.74 122.88 1x60 s LYS 42 Ca 0.25 -0.74 0.00 0.00 0.00 0.00 0.00 55.97 55.48 1x60 s LYS 42 Cb -0.14 -2.74 0.00 0.00 0.00 0.00 0.00 37.83 34.95 1x60 s LYS 42 CO 0.18 0.53 0.00 -3.47 0.00 0.00 0.00 175.35 172.59 1x60 n ASP 43 N 0.03 0.00 -0.37 0.03 -0.08 -1.26 0.14 116.55 115.04 1x60 n ASP 43 Ca -0.08 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 -0.08 3.44 0.27 0.00 -1.26 -5.11 105.19 102.44 1x60 n GLY 44 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.04 0.99 1.43 0.38 -4.67 118.68 119.18 1x60 s LEU 45 Ca 0.00 -1.25 0.05 0.00 -1.03 0.00 0.00 54.13 51.91 1x60 s LEU 45 Cb 0.00 -0.57 -0.02 0.00 0.03 0.00 0.00 46.19 45.63 1x60 s LEU 45 CO 0.00 -0.42 -0.21 -0.31 0.23 0.00 0.00 176.35 175.64 1x60 s TYR 46 N -3.08 2.52 0.23 0.29 1.51 0.22 0.66 117.35 119.69 1x60 s TYR 46 Ca 0.31 -0.39 0.11 0.00 -1.01 0.00 0.00 57.07 56.09 1x60 s TYR 46 Cb 0.05 -1.59 -0.05 0.00 -0.11 0.00 0.00 41.96 40.27 1x60 s TYR 46 CO 0.13 0.01 -0.20 0.15 -1.11 0.00 0.00 175.55 174.53 1x60 s LYS 47 N -0.52 1.67 -0.25 -0.62 3.01 -0.17 0.13 119.74 122.99 1x60 s LYS 47 Ca 0.07 -1.58 0.01 0.00 -1.01 0.00 0.00 55.97 53.46 1x60 s LYS 47 Cb -0.11 -1.87 0.06 0.00 -1.01 0.00 0.00 37.83 34.90 1x60 s LYS 47 CO 0.01 0.38 -0.05 0.08 0.51 0.00 0.00 175.35 176.27 1x60 s VAL 48 N -2.00 1.66 -0.07 3.17 1.01 0.80 -2.01 120.40 122.97 1x60 s VAL 48 Ca 0.25 -1.37 -0.01 0.00 0.00 0.00 0.00 61.98 60.85 1x60 s VAL 48 Cb -0.07 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.35 1x60 s VAL 48 CO 0.13 -0.14 -0.00 -1.58 0.00 0.00 0.00 175.10 173.50 1x60 s GLN 49 N 1.32 2.92 -0.06 2.72 0.74 -0.57 -1.73 119.66 125.01 1x60 s GLN 49 Ca -0.05 -0.46 -0.01 0.00 0.05 0.00 0.00 55.36 54.89 1x60 s GLN 49 Cb -0.19 -2.75 0.03 0.00 1.10 0.00 0.00 33.01 31.20 1x60 s GLN 49 CO -0.07 0.68 -0.01 0.96 -0.55 0.00 0.00 175.29 176.31 1x60 s ILE 50 N -0.92 0.37 0.00 -2.34 -5.25 0.34 -0.71 121.20 112.69 1x60 s ILE 50 Ca 0.15 0.08 0.00 0.00 -0.99 0.00 0.00 60.65 59.89 1x60 s ILE 50 Cb -0.11 -0.50 0.00 0.00 2.95 0.00 0.00 42.46 44.80 1x60 s ILE 50 CO 0.04 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.83 -2.77 2.90 6.27 0.00 -1.09 -3.12 105.19 112.21 1x60 n GLY 51 Ca -0.13 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 1.66 0.31 4.61 0.00 -1.26 -0.80 121.76 126.28 1x60 s ALA 52 Ca 0.00 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 50.94 1x60 s ALA 52 Cb 0.00 -1.26 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 1x60 s ALA 52 CO 0.00 -0.98 0.08 -0.06 0.00 0.00 0.00 175.76 174.80 1x60 s PHE 53 N 1.55 1.81 -0.55 0.00 0.40 -0.10 -4.99 117.98 116.09 1x60 s PHE 53 Ca -0.02 -1.07 0.24 0.00 -0.60 0.00 0.00 56.93 55.48 1x60 s PHE 53 Cb -0.17 -1.15 0.51 0.00 0.51 0.00 0.00 43.02 42.72 1x60 s PHE 53 CO -0.07 -0.14 1.64 1.03 0.70 0.00 0.00 175.22 178.37 1x60 h SER 54 N 2.16 0.00 -3.37 1.36 0.87 -1.94 -2.14 113.55 110.48 1x60 h SER 54 Ca -0.39 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.50 1x60 h SER 54 Cb 1.25 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.95 1x60 h SER 54 CO 0.65 0.00 -0.75 -0.44 -0.53 0.00 0.00 176.83 175.77 1x60 s SER 55 N -5.43 4.16 0.30 6.23 0.01 -1.26 -4.65 113.70 113.06 1x60 s SER 55 Ca 0.08 -0.28 0.01 0.00 1.31 0.00 0.00 55.95 57.07 1x60 s SER 55 Cb 0.08 -1.58 0.53 0.00 0.21 0.00 0.00 66.02 65.26 1x60 s SER 55 CO 0.65 0.18 1.90 0.50 0.41 0.00 0.00 173.24 176.88 1x60 h LYS 56 N 6.57 1.01 -1.28 12.44 3.64 -1.89 -1.44 116.57 135.61 1x60 h LYS 56 Ca -0.28 -0.06 0.37 0.00 -1.27 0.00 0.00 60.65 59.41 1x60 h LYS 56 Cb 1.20 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 32.73 1x60 h LYS 56 CO 0.56 0.67 0.90 0.38 -2.27 0.00 0.00 179.45 179.69 1x60 h ASP 57 N 1.04 0.08 -0.01 4.20 3.04 -1.98 0.32 116.42 123.11 1x60 h ASP 57 Ca 0.41 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 54.21 1x60 h ASP 57 Cb 0.23 0.01 0.00 0.00 -1.04 0.00 0.00 39.33 38.54 1x60 h ASP 57 CO -0.16 -0.00 -0.02 0.78 -2.04 0.00 0.00 179.24 177.80 1x60 h ASN 58 N 0.06 0.02 -0.73 4.15 4.21 -1.65 -2.68 115.58 118.97 1x60 h ASN 58 Ca 0.64 -0.61 0.06 0.00 1.21 0.00 0.00 56.30 57.60 1x60 h ASN 58 Cb 2.39 -0.01 -0.06 0.00 -1.12 0.00 0.00 38.32 39.52 1x60 h ASN 58 CO -0.08 0.63 0.42 0.00 -1.29 0.00 0.00 177.43 177.11 1x60 h ALA 59 N 0.40 0.98 -0.04 -0.83 0.00 -0.49 -0.82 119.26 118.46 1x60 h ALA 59 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 59 Cb 0.63 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1x60 h ALA 59 CO 0.00 0.12 0.03 -0.44 0.00 0.00 0.00 179.25 178.96 1x60 h ASP 60 N 0.77 0.05 -0.54 0.00 5.19 -1.14 0.31 116.42 121.06 1x60 h ASP 60 Ca 0.32 -0.02 0.00 0.00 -0.62 0.00 0.00 57.03 56.72 1x60 h ASP 60 Cb 0.18 -0.01 -0.03 0.00 0.18 0.00 0.00 39.33 39.65 1x60 h ASP 60 CO -0.18 0.05 0.35 0.74 -3.12 0.00 0.00 179.24 177.08 1x60 h THR 61 N 0.04 1.14 0.14 0.35 2.02 -1.10 -0.21 112.91 115.30 1x60 h THR 61 Ca 0.01 -0.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1x60 h THR 61 Cb 0.01 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1x60 h THR 61 CO -0.00 0.14 -0.07 0.25 0.37 0.00 0.00 175.52 176.21 1x60 h LEU 62 N 0.74 -0.16 0.38 2.58 7.12 -0.69 -2.48 115.31 122.80 1x60 h LEU 62 Ca 0.20 -0.36 -0.00 0.00 0.13 0.00 0.00 57.88 57.84 1x60 h LEU 62 Cb -0.07 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.07 1x60 h LEU 62 CO -0.04 0.33 -0.47 0.00 -0.13 0.00 0.00 178.44 178.12 1x60 h ALA 63 N 0.01 -1.00 -0.97 1.25 0.00 -0.11 0.16 119.26 118.59 1x60 h ALA 63 Ca -0.02 -0.15 0.20 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.51 0.70 -0.09 0.00 0.00 0.00 0.00 17.79 18.92 1x60 h ALA 63 CO 0.03 -1.11 0.61 0.00 0.00 0.00 0.00 179.25 178.78 1x60 h ALA 64 N -0.62 1.91 -0.54 0.00 0.00 -1.15 0.51 119.26 119.36 1x60 h ALA 64 Ca -0.04 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.80 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 1x60 h ALA 64 CO -0.11 -0.24 0.03 -0.09 0.00 0.00 0.00 179.25 178.83 1x60 h ARG 65 N 0.62 0.90 -0.50 0.00 2.43 -0.82 -0.12 114.38 116.89 1x60 h ARG 65 Ca 0.53 -0.25 -0.06 0.00 -0.81 0.00 0.00 59.98 59.39 1x60 h ARG 65 Cb 1.02 -0.10 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1x60 h ARG 65 CO -0.29 0.88 0.06 0.00 -1.51 0.00 0.00 179.97 179.11 1x60 h ALA 66 N 1.19 0.67 -0.32 2.80 0.00 0.28 0.89 119.26 124.76 1x60 h ALA 66 Ca 0.16 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 66 Cb 0.46 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1x60 h ALA 66 CO 0.02 0.42 0.18 0.87 0.00 0.00 0.00 179.25 180.73 1x60 h LYS 67 N 0.71 0.44 0.00 0.00 1.57 0.20 1.28 116.57 120.77 1x60 h LYS 67 Ca 0.15 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 1x60 h LYS 67 Cb 0.42 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1x60 h LYS 67 CO 0.01 0.37 -0.26 -0.97 -0.57 0.00 0.00 179.45 178.03 1x60 h ASN 68 N 0.40 0.00 1.46 0.86 -1.24 -0.79 -2.45 115.58 113.82 1x60 h ASN 68 Ca 0.11 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.06 1x60 h ASN 68 Cb 0.06 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.10 1x60 h ASN 68 CO -0.02 0.26 -0.28 0.00 -1.29 0.00 0.00 177.43 176.11 1x60 h ALA 69 N 1.74 0.86 0.00 1.57 0.00 0.20 -3.47 119.26 120.16 1x60 h ALA 69 Ca -0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1x60 h ALA 69 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1x60 h ALA 69 CO 0.03 0.34 0.00 0.41 0.00 0.00 0.00 179.25 180.04 1x60 n GLY 70 N 0.87 1.76 3.15 0.00 0.00 0.69 -5.03 105.19 106.62 1x60 n GLY 70 Ca 0.02 0.00 -0.18 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 1.16 -1.21 1.61 0.08 0.41 -4.98 117.98 113.05 1x60 s PHE 71 Ca 0.00 -0.43 -0.09 0.00 0.12 0.00 0.00 56.93 56.53 1x60 s PHE 71 Cb 0.00 -0.67 0.20 0.00 -0.57 0.00 0.00 43.02 41.99 1x60 s PHE 71 CO 0.00 0.04 1.63 -3.47 -0.10 0.00 0.00 175.22 173.32 1x60 n ASP 72 N 1.48 5.40 -4.79 1.36 2.03 -1.26 -1.49 116.55 119.27 1x60 n ASP 72 Ca -0.20 -3.12 -0.39 0.00 0.52 0.00 0.00 54.79 51.59 1x60 n ASP 72 Cb 0.54 -1.46 -0.06 0.00 -0.72 0.00 0.00 41.12 39.43 1x60 n ASP 72 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1x60 s ALA 73 N -0.02 3.50 0.08 -1.67 0.00 -1.26 -4.05 121.76 118.33 1x60 s ALA 73 Ca 0.38 0.23 0.04 0.00 0.00 0.00 0.00 51.96 52.61 1x60 s ALA 73 Cb 0.04 -2.83 -0.03 0.00 0.00 0.00 0.00 23.12 20.30 1x60 s ALA 73 CO 0.01 0.34 -0.11 0.96 0.00 0.00 0.00 175.76 176.96 1x60 s ILE 74 N -1.17 0.91 -0.13 0.00 -4.36 0.17 -4.69 121.20 111.93 1x60 s ILE 74 Ca 0.34 -1.40 -0.06 0.00 -0.26 0.00 0.00 60.65 59.26 1x60 s ILE 74 Cb -0.21 -1.10 -0.04 0.00 1.25 0.00 0.00 42.46 42.36 1x60 s ILE 74 CO 0.23 -0.41 0.11 -0.69 0.24 0.00 0.00 174.94 174.42 1x60 s VAL 75 N -1.81 5.21 -0.02 8.37 1.01 -1.26 0.52 120.40 132.41 1x60 s VAL 75 Ca -0.00 0.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1x60 s VAL 75 Cb -0.07 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 33.05 1x60 s VAL 75 CO 0.01 0.58 0.05 0.27 0.00 0.00 0.00 175.10 176.01 1x60 s ILE 76 N -0.73 -0.01 -0.49 2.22 -4.36 -0.50 -4.99 121.20 112.33 1x60 s ILE 76 Ca 0.13 0.04 -0.21 0.00 -0.26 0.00 0.00 60.65 60.35 1x60 s ILE 76 Cb -0.12 -0.09 0.04 0.00 1.25 0.00 0.00 42.46 43.55 1x60 s ILE 76 CO 0.03 0.02 0.71 -0.22 0.24 0.00 0.00 174.94 175.72 1x60 s LEU 77 N 0.23 4.57 -0.24 0.37 2.96 -1.25 -2.45 118.68 122.87 1x60 s LEU 77 Ca -0.02 -0.55 -0.10 0.00 -0.22 0.00 0.00 54.13 53.24 1x60 s LEU 77 Cb -0.03 -2.66 -0.05 0.00 0.50 0.00 0.00 46.19 43.96 1x60 s LEU 77 CO -0.01 -0.94 0.15 -1.61 -1.32 0.00 0.00 176.35 172.63 1x60 s GLU 78 N 3.04 4.05 0.00 1.98 2.02 0.61 -4.76 118.70 125.63 1x60 s GLU 78 Ca 0.22 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 54.93 1x60 s GLU 78 Cb -0.16 -3.52 0.00 0.00 0.10 0.00 0.00 34.13 30.55 1x60 s GLU 78 CO 0.17 0.05 0.45 0.45 0.02 0.00 0.00 175.26 176.40