#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 0.52 0.04 3.23 3.01 -1.26 -5.12 119.74 120.16 1x60 s LYS 2 Ca 0.00 -1.21 -0.27 0.00 -1.01 0.00 0.00 55.97 53.48 1x60 s LYS 2 Cb 0.00 -1.23 0.09 0.00 -1.01 0.00 0.00 37.83 35.68 1x60 s LYS 2 CO 0.00 -1.19 0.80 -1.59 0.51 0.00 0.00 175.35 173.88 1x60 s LYS 3 N 1.20 0.96 0.36 1.68 -2.85 -1.26 -5.15 119.74 114.68 1x60 s LYS 3 Ca 0.17 -0.33 0.00 0.00 -1.00 0.00 0.00 55.97 54.81 1x60 s LYS 3 Cb -0.22 0.44 0.00 0.00 -2.06 0.00 0.00 37.83 35.99 1x60 s LYS 3 CO -0.03 -0.41 0.00 0.25 0.10 0.00 0.00 175.35 175.26 1x60 n THR 4 N -0.24 0.00 0.00 3.79 -2.24 -1.26 -4.87 114.28 109.46 1x60 n THR 4 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 1x60 n THR 4 Cb 0.63 -0.21 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1x60 n THR 4 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1x60 n SER 5 N -4.20 0.00 -4.56 3.42 3.41 -1.26 -4.89 113.62 105.54 1x60 n SER 5 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 58.24 1x60 n SER 5 Cb 0.28 -0.21 -0.03 0.00 -0.26 0.00 0.00 64.21 63.99 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 -2.39 4.77 -0.08 4.04 0.15 -1.26 -4.91 113.70 114.01 1x60 s SER 6 Ca 0.00 1.02 -0.04 0.00 0.70 0.00 0.00 55.95 57.62 1x60 s SER 6 Cb 0.00 -2.51 0.04 0.00 -1.71 0.00 0.00 66.02 61.84 1x60 s SER 6 CO 0.00 -2.64 0.19 -0.44 1.20 0.00 0.00 173.24 171.55 1x60 s SER 7 N 10.70 -0.18 0.00 5.45 0.01 -1.26 -5.09 113.70 123.33 1x60 s SER 7 Ca 0.91 0.40 0.00 0.00 1.31 0.00 0.00 55.95 58.56 1x60 s SER 7 Cb -0.18 0.30 0.00 0.00 0.21 0.00 0.00 66.02 66.35 1x60 s SER 7 CO 0.26 -0.14 0.00 0.61 0.41 0.00 0.00 173.24 174.38 1x60 n GLY 8 N 4.03 3.70 3.04 3.44 0.00 -1.25 -4.93 105.19 113.22 1x60 n GLY 8 Ca -0.24 -1.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.49 1x60 n GLY 8 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1x60 s LEU 9 N 0.00 1.44 -0.44 0.99 1.43 0.32 -4.85 118.68 117.57 1x60 s LEU 9 Ca 0.00 0.23 -0.14 0.00 -1.03 0.00 0.00 54.13 53.19 1x60 s LEU 9 Cb 0.00 0.54 0.06 0.00 0.03 0.00 0.00 46.19 46.82 1x60 s LEU 9 CO 0.00 -0.10 0.32 -0.31 0.23 0.00 0.00 176.35 176.49 1x60 s TYR 10 N -0.14 3.26 0.16 0.29 2.02 -0.76 -1.10 117.35 121.07 1x60 s TYR 10 Ca -0.02 -0.98 0.08 0.00 -0.37 0.00 0.00 57.07 55.79 1x60 s TYR 10 Cb -0.02 -2.91 -0.04 0.00 -0.40 0.00 0.00 41.96 38.59 1x60 s TYR 10 CO 0.00 -0.74 -0.19 0.15 -1.57 0.00 0.00 175.55 173.20 1x60 s LYS 11 N 1.60 1.25 -0.10 -0.62 1.02 -1.02 -0.84 119.74 121.03 1x60 s LYS 11 Ca 0.04 -1.37 -0.02 0.00 0.02 0.00 0.00 55.97 54.64 1x60 s LYS 11 Cb -0.22 -1.34 -0.03 0.00 -0.52 0.00 0.00 37.83 35.72 1x60 s LYS 11 CO 0.06 0.28 -0.03 0.08 -0.92 0.00 0.00 175.35 174.83 1x60 s VAL 12 N -1.91 4.05 -0.03 3.17 1.01 0.76 -1.39 120.40 126.05 1x60 s VAL 12 Ca 0.14 -0.33 0.03 0.00 0.00 0.00 0.00 61.98 61.82 1x60 s VAL 12 Cb -0.06 -2.71 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1x60 s VAL 12 CO 0.06 0.57 -0.12 -1.58 0.00 0.00 0.00 175.10 174.03 1x60 s GLN 13 N -0.49 1.31 0.00 2.72 0.74 0.19 0.13 119.66 124.26 1x60 s GLN 13 Ca 0.08 -0.43 0.15 0.00 0.05 0.00 0.00 55.36 55.22 1x60 s GLN 13 Cb -0.12 -1.18 -0.01 0.00 1.10 0.00 0.00 33.01 32.80 1x60 s GLN 13 CO 0.02 0.16 0.82 0.44 -0.55 0.00 0.00 175.29 176.19 1x60 n ILE 14 N 3.24 0.00 0.00 -2.34 -0.00 -0.84 0.45 119.36 119.87 1x60 n ILE 14 Ca -0.18 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.24 1x60 n ILE 14 Cb 0.54 1.17 0.00 0.00 -0.00 0.00 0.00 39.64 41.35 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 3.31 3.28 0.00 -1.20 -4.47 105.19 108.27 1x60 n GLY 15 Ca 0.06 -1.19 -0.14 0.00 0.00 0.00 0.00 46.02 44.75 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 -1.99 -1.04 -0.04 4.61 0.00 -1.26 0.36 121.76 122.40 1x60 s ALA 16 Ca 0.00 0.97 -0.15 0.00 0.00 0.00 0.00 51.96 52.78 1x60 s ALA 16 Cb 0.00 -0.43 0.03 0.00 0.00 0.00 0.00 23.12 22.71 1x60 s ALA 16 CO 0.00 -0.23 0.33 -0.06 0.00 0.00 0.00 175.76 175.80 1x60 s PHE 17 N -0.31 -0.23 -0.37 0.00 0.40 0.36 -4.90 117.98 112.93 1x60 s PHE 17 Ca -0.05 0.42 0.18 0.00 -0.60 0.00 0.00 56.93 56.88 1x60 s PHE 17 Cb -0.03 0.12 0.95 0.00 0.51 0.00 0.00 43.02 44.56 1x60 s PHE 17 CO 0.02 -0.36 1.55 0.36 0.70 0.00 0.00 175.22 177.49 1x60 n LYS 18 N 1.53 0.12 -3.94 0.44 2.85 -1.26 0.78 118.16 118.67 1x60 n LYS 18 Ca -0.20 0.60 -0.35 0.00 -1.05 0.00 0.00 58.31 57.30 1x60 n LYS 18 Cb 0.56 -1.87 -0.12 0.00 -0.65 0.00 0.00 35.03 32.96 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 -3.43 4.35 0.12 0.58 1.01 -1.26 -4.62 120.40 117.15 1x60 s VAL 19 Ca -0.01 -0.17 -0.16 0.00 0.00 0.00 0.00 61.98 61.63 1x60 s VAL 19 Cb 0.05 -2.99 -0.03 0.00 0.00 0.00 0.00 36.38 33.41 1x60 s VAL 19 CO 0.18 0.40 1.61 0.50 0.00 0.00 0.00 175.10 177.78 1x60 h LYS 20 N 7.54 0.60 -0.70 2.72 3.64 -1.95 -1.24 116.57 127.18 1x60 h LYS 20 Ca -0.37 -0.15 0.18 0.00 -1.27 0.00 0.00 60.65 59.04 1x60 h LYS 20 Cb 1.18 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.88 1x60 h LYS 20 CO 0.62 0.66 0.49 0.00 -2.27 0.00 0.00 179.45 178.94 1x60 h ALA 21 N 0.92 2.42 0.07 5.00 0.00 -1.96 0.54 119.26 126.25 1x60 h ALA 21 Ca 0.11 -0.01 -0.25 0.00 0.00 0.00 0.00 54.91 54.76 1x60 h ALA 21 Cb 0.34 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1x60 h ALA 21 CO 0.00 -0.62 -1.11 -0.91 0.00 0.00 0.00 179.25 176.62 1x60 h ASN 22 N 0.17 0.51 1.11 0.00 -0.26 -1.81 -2.58 115.58 112.73 1x60 h ASN 22 Ca 0.34 -0.48 -0.02 0.00 -0.56 0.00 0.00 56.30 55.58 1x60 h ASN 22 Cb 1.10 -0.16 -0.00 0.00 -1.06 0.00 0.00 38.32 38.20 1x60 h ASN 22 CO -0.06 1.32 -0.09 0.00 -1.06 0.00 0.00 177.43 177.54 1x60 h ALA 23 N 0.63 1.00 0.17 -0.83 0.00 0.10 -2.66 119.26 117.67 1x60 h ALA 23 Ca -0.12 -0.08 -0.32 0.00 0.00 0.00 0.00 54.91 54.39 1x60 h ALA 23 Cb 1.79 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 19.58 1x60 h ALA 23 CO 0.19 0.11 -1.52 0.22 0.00 0.00 0.00 179.25 178.25 1x60 h ASP 24 N 0.00 0.58 -0.46 0.00 1.82 -0.22 -2.72 116.42 115.42 1x60 h ASP 24 Ca -0.00 -0.72 -0.06 0.00 -0.39 0.00 0.00 57.03 55.86 1x60 h ASP 24 Cb 0.67 -0.19 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1x60 h ASP 24 CO 0.01 1.58 0.07 -1.28 -1.61 0.00 0.00 179.24 178.02 1x60 h SER 25 N 0.10 0.79 0.05 2.28 0.87 -1.34 -1.87 113.55 114.42 1x60 h SER 25 Ca -0.25 -0.16 -0.00 0.00 -1.23 0.00 0.00 61.79 60.14 1x60 h SER 25 Cb 2.07 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 63.83 1x60 h SER 25 CO 0.21 0.81 -0.02 0.25 -0.53 0.00 0.00 176.83 177.54 1x60 h LEU 26 N 0.79 -0.06 -2.16 2.23 5.85 -1.55 -2.37 115.31 118.03 1x60 h LEU 26 Ca 0.16 -0.34 0.07 0.00 0.84 0.00 0.00 57.88 58.61 1x60 h LEU 26 Cb 0.37 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 1x60 h LEU 26 CO 0.01 0.31 0.23 0.00 -0.34 0.00 0.00 178.44 178.65 1x60 h ALA 27 N 0.48 1.92 -0.09 1.25 0.00 -1.31 -0.59 119.26 120.92 1x60 h ALA 27 Ca -0.01 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 54.68 1x60 h ALA 27 Cb 0.39 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.21 1x60 h ALA 27 CO 0.01 -0.35 -0.79 1.03 0.00 0.00 0.00 179.25 179.15 1x60 h SER 28 N 0.00 0.85 -0.13 0.00 0.87 -1.05 -2.58 113.55 111.51 1x60 h SER 28 Ca 0.11 -0.67 0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1x60 h SER 28 Cb 0.57 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.27 1x60 h SER 28 CO -0.00 1.39 0.07 -0.55 -0.53 0.00 0.00 176.83 177.21 1x60 h ASN 29 N 0.37 0.10 -0.87 6.23 -1.07 -0.60 -2.21 115.58 117.53 1x60 h ASN 29 Ca -0.07 0.01 -0.01 0.00 0.07 0.00 0.00 56.30 56.29 1x60 h ASN 29 Cb 1.43 -0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 37.63 1x60 h ASN 29 CO 0.16 0.08 0.51 0.00 0.07 0.00 0.00 177.43 178.24 1x60 h ALA 30 N 1.07 1.25 -0.88 4.14 0.00 -1.55 -1.78 119.26 121.49 1x60 h ALA 30 Ca 0.05 -0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.99 1x60 h ALA 30 Cb 0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 17.79 17.38 1x60 h ALA 30 CO -0.04 0.63 0.57 1.49 0.00 0.00 0.00 179.25 181.90 1x60 h GLU 31 N 1.21 0.68 -0.31 0.00 4.81 -0.99 -1.21 114.58 118.78 1x60 h GLU 31 Ca 0.31 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.56 1x60 h GLU 31 Cb -0.02 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.15 1x60 h GLU 31 CO -0.05 0.45 -0.11 0.00 -0.73 0.00 0.00 179.01 178.57 1x60 h ALA 32 N 1.60 0.15 0.00 2.92 0.00 -0.81 0.33 119.26 123.45 1x60 h ALA 32 Ca 0.44 0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1x60 h ALA 32 Cb 0.68 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1x60 h ALA 32 CO -0.20 -0.50 -0.10 0.87 0.00 0.00 0.00 179.25 179.32 1x60 h LYS 33 N -0.05 0.00 0.00 0.00 1.79 -1.28 -3.46 116.57 113.57 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 0.28 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.93 1x60 h LYS 33 CO -0.34 0.10 0.00 0.41 -1.08 0.00 0.00 179.45 178.54 1x60 n GLY 34 N -1.13 1.62 3.92 3.86 0.00 0.12 -5.13 105.19 108.44 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 -0.83 1.61 0.08 -0.98 -4.99 117.98 114.20 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 1.11 0.34 -0.10 0.00 0.00 175.22 177.04 1x60 s ASP 36 N -3.92 6.43 0.57 1.36 2.15 -1.26 -4.09 116.67 117.91 1x60 s ASP 36 Ca 0.34 -1.53 -0.13 0.00 0.43 0.00 0.00 52.55 51.66 1x60 s ASP 36 Cb -0.09 -2.43 -0.05 0.00 -0.30 0.00 0.00 42.92 40.05 1x60 s ASP 36 CO 0.28 -1.28 1.00 -0.94 -0.17 0.00 0.00 175.17 174.05 1x60 s SER 37 N 3.82 6.38 -0.23 -0.34 1.04 -1.26 -2.39 113.70 120.72 1x60 s SER 37 Ca 0.30 1.45 -0.22 0.00 0.48 0.00 0.00 55.95 57.96 1x60 s SER 37 Cb -0.09 -2.47 0.06 0.00 0.10 0.00 0.00 66.02 63.62 1x60 s SER 37 CO -0.01 -0.75 0.63 -0.51 0.98 0.00 0.00 173.24 173.57 1x60 s ILE 38 N -2.95 0.00 -0.20 -1.02 2.07 0.61 -4.95 121.20 114.77 1x60 s ILE 38 Ca 0.56 -0.00 0.01 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.11 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.63 1x60 s ILE 38 CO 0.45 -0.00 -0.17 -0.69 -1.91 0.00 0.00 174.94 172.62 1x60 s VAL 39 N 0.31 2.24 -0.16 4.00 1.01 -1.25 -1.19 120.40 125.36 1x60 s VAL 39 Ca -0.00 -0.97 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 1x60 s VAL 39 Cb -0.04 -1.99 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 1x60 s VAL 39 CO 0.01 0.46 -0.12 -0.22 0.00 0.00 0.00 175.10 175.22 1x60 s LEU 40 N 1.29 2.64 -0.37 3.92 2.96 -0.71 -4.90 118.68 123.50 1x60 s LEU 40 Ca 0.03 -0.41 -0.24 0.00 -0.22 0.00 0.00 54.13 53.30 1x60 s LEU 40 Cb -0.14 -1.61 0.01 0.00 0.50 0.00 0.00 46.19 44.95 1x60 s LEU 40 CO -0.11 0.09 0.84 -0.22 -1.32 0.00 0.00 176.35 175.63 1x60 s LEU 41 N 0.78 4.08 0.37 -0.68 2.96 -1.26 -1.05 118.68 123.88 1x60 s LEU 41 Ca -0.05 0.43 0.07 0.00 -0.22 0.00 0.00 54.13 54.37 1x60 s LEU 41 Cb -0.15 -3.12 -0.01 0.00 0.50 0.00 0.00 46.19 43.41 1x60 s LEU 41 CO 0.01 -0.78 0.45 -1.59 -1.32 0.00 0.00 176.35 173.12 1x60 s LYS 42 N 3.25 2.88 0.00 1.98 0.00 0.23 -4.94 119.74 123.14 1x60 s LYS 42 Ca 0.34 -1.20 -0.10 0.00 0.00 0.00 0.00 55.97 55.01 1x60 s LYS 42 Cb -0.13 -2.68 -0.12 0.00 0.00 0.00 0.00 37.83 34.91 1x60 s LYS 42 CO 0.18 -0.06 1.03 -0.40 0.00 0.00 0.00 175.35 176.10 1x60 n ASP 43 N -1.63 0.23 0.00 0.03 5.75 -1.26 -2.03 116.55 117.64 1x60 n ASP 43 Ca 0.02 -1.87 0.00 0.00 -0.01 0.00 0.00 54.79 52.94 1x60 n ASP 43 Cb 0.59 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 40.28 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1x60 n GLY 44 N 4.09 1.29 3.11 6.12 0.00 -1.26 -5.13 105.19 113.42 1x60 n GLY 44 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 1.63 -0.17 0.99 1.43 -0.86 -4.41 118.68 117.29 1x60 s LEU 45 Ca 0.00 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.72 1x60 s LEU 45 Cb 0.00 0.67 -0.03 0.00 0.03 0.00 0.00 46.19 46.86 1x60 s LEU 45 CO 0.00 -0.43 -0.01 -0.31 0.23 0.00 0.00 176.35 175.83 1x60 s TYR 46 N -1.89 3.06 0.01 0.29 1.51 0.23 0.75 117.35 121.31 1x60 s TYR 46 Ca -0.11 -0.30 -0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1x60 s TYR 46 Cb -0.05 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.75 1x60 s TYR 46 CO -0.01 -0.07 0.12 0.15 -1.11 0.00 0.00 175.55 174.63 1x60 s LYS 47 N 0.55 3.20 -0.31 -0.62 3.01 -0.22 0.13 119.74 125.49 1x60 s LYS 47 Ca -0.02 -0.45 0.03 0.00 -1.01 0.00 0.00 55.97 54.52 1x60 s LYS 47 Cb -0.14 -2.94 0.09 0.00 -1.01 0.00 0.00 37.83 33.83 1x60 s LYS 47 CO 0.02 0.64 0.01 0.08 0.51 0.00 0.00 175.35 176.61 1x60 s VAL 48 N -1.28 2.04 -0.01 3.17 1.01 0.16 -1.75 120.40 123.74 1x60 s VAL 48 Ca 0.26 -1.97 0.03 0.00 0.00 0.00 0.00 61.98 60.30 1x60 s VAL 48 Cb -0.12 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.83 1x60 s VAL 48 CO 0.17 -0.42 -0.06 -1.58 0.00 0.00 0.00 175.10 173.21 1x60 s GLN 49 N 1.07 2.60 -0.06 2.72 0.74 -0.33 -1.99 119.66 124.41 1x60 s GLN 49 Ca 0.04 -0.69 -0.01 0.00 0.05 0.00 0.00 55.36 54.76 1x60 s GLN 49 Cb -0.19 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.42 1x60 s GLN 49 CO -0.09 0.61 0.00 0.96 -0.55 0.00 0.00 175.29 176.23 1x60 s ILE 50 N -0.98 0.32 0.00 -2.34 -5.25 0.35 -0.28 121.20 113.02 1x60 s ILE 50 Ca 0.17 0.11 0.00 0.00 -0.99 0.00 0.00 60.65 59.94 1x60 s ILE 50 Cb -0.11 -0.45 0.00 0.00 2.95 0.00 0.00 42.46 44.84 1x60 s ILE 50 CO 0.07 0.23 0.00 0.61 -1.79 0.00 0.00 174.94 174.06 1x60 n GLY 51 N 4.83 -2.83 2.76 6.27 0.00 -1.00 -3.07 105.19 112.15 1x60 n GLY 51 Ca -0.13 -0.63 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 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 1.01 0.36 4.61 0.00 -1.26 -0.17 121.76 126.31 1x60 s ALA 52 Ca 0.00 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.39 1x60 s ALA 52 Cb 0.00 -1.09 -0.04 0.00 0.00 0.00 0.00 23.12 21.99 1x60 s ALA 52 CO 0.00 -0.98 0.10 -0.06 0.00 0.00 0.00 175.76 174.82 1x60 s PHE 53 N 1.85 1.83 -0.51 0.00 0.40 -0.02 -4.99 117.98 116.55 1x60 s PHE 53 Ca 0.00 -1.14 0.24 0.00 -0.60 0.00 0.00 56.93 55.44 1x60 s PHE 53 Cb -0.16 -1.18 0.39 0.00 0.51 0.00 0.00 43.02 42.57 1x60 s PHE 53 CO -0.07 -0.17 1.47 0.77 0.70 0.00 0.00 175.22 177.92 1x60 h SER 54 N 1.99 0.00 -3.45 1.36 0.02 -1.95 -2.03 113.55 109.49 1x60 h SER 54 Ca -0.38 -0.04 -0.66 0.00 -0.84 0.00 0.00 61.79 59.86 1x60 h SER 54 Cb 1.26 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.54 1x60 h SER 54 CO 0.63 0.02 -0.76 -0.44 -1.14 0.00 0.00 176.83 175.14 1x60 s SER 55 N -5.21 4.06 0.27 3.07 0.01 -1.26 -4.63 113.70 110.01 1x60 s SER 55 Ca 0.06 -0.29 -0.03 0.00 1.31 0.00 0.00 55.95 57.01 1x60 s SER 55 Cb 0.09 -1.48 0.40 0.00 0.21 0.00 0.00 66.02 65.25 1x60 s SER 55 CO 0.69 0.20 1.90 0.50 0.41 0.00 0.00 173.24 176.94 1x60 h LYS 56 N 6.43 1.16 -1.29 12.44 3.64 -1.89 -1.69 116.57 135.36 1x60 h LYS 56 Ca -0.30 -0.07 0.38 0.00 -1.27 0.00 0.00 60.65 59.39 1x60 h LYS 56 Cb 1.20 -0.26 -0.08 0.00 -0.41 0.00 0.00 32.23 32.68 1x60 h LYS 56 CO 0.55 0.76 0.90 0.38 -2.27 0.00 0.00 179.45 179.77 1x60 h ASP 57 N 1.19 0.14 -0.01 4.20 3.04 -1.98 0.36 116.42 123.37 1x60 h ASP 57 Ca 0.40 0.04 -0.01 0.00 -3.24 0.00 0.00 57.03 54.23 1x60 h ASP 57 Cb 0.09 0.03 -0.00 0.00 -1.04 0.00 0.00 39.33 38.40 1x60 h ASP 57 CO -0.14 -0.01 -0.02 0.78 -2.04 0.00 0.00 179.24 177.81 1x60 h ASN 58 N 0.10 0.04 -0.92 4.15 2.35 -1.70 -2.72 115.58 116.88 1x60 h ASN 58 Ca 0.67 -0.55 0.08 0.00 -0.55 0.00 0.00 56.30 55.95 1x60 h ASN 58 Cb 2.37 -0.01 -0.07 0.00 0.05 0.00 0.00 38.32 40.66 1x60 h ASN 58 CO -0.15 0.58 0.58 0.00 -1.65 0.00 0.00 177.43 176.79 1x60 h ALA 59 N 0.46 1.30 -0.07 -0.83 0.00 -0.39 -1.00 119.26 118.74 1x60 h ALA 59 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 59 Cb 0.57 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.12 1x60 h ALA 59 CO 0.00 0.30 0.04 -0.44 0.00 0.00 0.00 179.25 179.15 1x60 h ASP 60 N 1.01 0.08 -0.45 0.00 3.32 -1.14 0.31 116.42 119.56 1x60 h ASP 60 Ca 0.42 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.38 1x60 h ASP 60 Cb 0.25 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.75 1x60 h ASP 60 CO -0.20 0.13 0.26 0.71 -1.72 0.00 0.00 179.24 178.42 1x60 h THR 61 N 0.03 1.15 0.14 0.35 1.35 -1.10 -0.13 112.91 114.69 1x60 h THR 61 Ca 0.02 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.51 1x60 h THR 61 Cb 0.07 0.51 0.00 0.00 -1.73 0.00 0.00 68.15 67.00 1x60 h THR 61 CO -0.00 0.16 -0.07 0.25 -0.25 0.00 0.00 175.52 175.61 1x60 h LEU 62 N 0.65 -0.16 0.40 3.87 7.12 -0.80 -2.48 115.31 123.90 1x60 h LEU 62 Ca 0.17 -0.37 -0.01 0.00 0.13 0.00 0.00 57.88 57.80 1x60 h LEU 62 Cb 0.02 0.04 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 1x60 h LEU 62 CO -0.03 0.35 -0.46 0.00 -0.13 0.00 0.00 178.44 178.16 1x60 h ALA 63 N -0.04 -1.00 -0.96 1.25 0.00 -0.14 0.14 119.26 118.50 1x60 h ALA 63 Ca -0.02 -0.15 0.19 0.00 0.00 0.00 0.00 54.91 54.93 1x60 h ALA 63 Cb 0.52 0.69 -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 0.00 179.25 178.79 1x60 h ALA 64 N -0.62 1.89 -0.66 0.00 0.00 -1.14 0.39 119.26 119.12 1x60 h ALA 64 Ca -0.04 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1x60 h ALA 64 Cb 0.80 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.49 1x60 h ALA 64 CO -0.10 -0.22 0.12 -0.09 0.00 0.00 0.00 179.25 178.96 1x60 h ARG 65 N 0.63 1.07 -0.57 0.00 2.43 -0.83 0.22 114.38 117.34 1x60 h ARG 65 Ca 0.53 -0.27 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1x60 h ARG 65 Cb 0.98 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 30.38 1x60 h ARG 65 CO -0.28 0.97 0.10 0.00 -1.51 0.00 0.00 179.97 179.26 1x60 h ALA 66 N 1.11 0.75 -0.25 2.80 0.00 0.24 0.89 119.26 124.80 1x60 h ALA 66 Ca 0.20 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.41 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1x60 h ALA 66 CO 0.01 0.49 0.13 0.87 0.00 0.00 0.00 179.25 180.75 1x60 h LYS 67 N 0.83 0.36 0.00 0.00 1.57 0.19 1.32 116.57 120.83 1x60 h LYS 67 Ca 0.17 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.85 1x60 h LYS 67 Cb 0.40 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 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 0.28 0.00 1.48 0.86 -0.73 -0.70 -2.34 115.58 114.44 1x60 h ASN 68 Ca 0.09 0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.22 1x60 h ASN 68 Cb 0.10 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.68 1x60 h ASN 68 CO -0.01 0.26 -0.19 0.00 -0.37 0.00 0.00 177.43 177.12 1x60 h ALA 69 N 1.74 0.92 0.00 1.57 0.00 0.18 -3.47 119.26 120.21 1x60 h ALA 69 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1x60 h ALA 69 Cb 0.65 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x60 h ALA 69 CO 0.03 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.93 1x60 n GLY 70 N 0.77 1.71 3.17 0.00 0.00 0.33 -5.04 105.19 106.14 1x60 n GLY 70 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 1.27 -1.22 1.61 0.08 0.43 -4.98 117.98 113.17 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 -0.72 0.20 0.00 -0.57 0.00 0.00 43.02 41.93 1x60 s PHE 71 CO 0.00 0.06 1.62 -3.47 -0.10 0.00 0.00 175.22 173.33 1x60 n ASP 72 N 1.47 5.38 -4.79 1.36 -0.08 -1.26 -1.50 116.55 117.13 1x60 n ASP 72 Ca -0.20 -3.11 -0.39 0.00 -1.51 0.00 0.00 54.79 49.58 1x60 n ASP 72 Cb 0.54 -1.46 -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 0.08 3.46 0.07 -1.67 0.00 -1.26 -4.05 121.76 118.39 1x60 s ALA 73 Ca 0.38 0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.67 1x60 s ALA 73 Cb 0.04 -2.89 -0.03 0.00 0.00 0.00 0.00 23.12 20.23 1x60 s ALA 73 CO 0.01 0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.19 0.86 -0.12 0.00 -4.36 0.17 -4.70 121.20 111.85 1x60 s ILE 74 Ca 0.36 -1.37 -0.05 0.00 -0.26 0.00 0.00 60.65 59.33 1x60 s ILE 74 Cb -0.22 -1.04 -0.04 0.00 1.25 0.00 0.00 42.46 42.42 1x60 s ILE 74 CO 0.25 -0.41 0.08 -0.69 0.24 0.00 0.00 174.94 174.40 1x60 s VAL 75 N -1.77 4.95 -0.02 8.37 1.01 -1.26 0.54 120.40 132.21 1x60 s VAL 75 Ca -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.95 1x60 s VAL 75 Cb -0.07 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.17 1x60 s VAL 75 CO 0.01 0.59 0.06 0.27 0.00 0.00 0.00 175.10 176.02 1x60 s ILE 76 N -0.72 -0.01 -0.49 2.22 -4.36 -0.49 -5.00 121.20 112.35 1x60 s ILE 76 Ca 0.12 0.02 -0.18 0.00 -0.26 0.00 0.00 60.65 60.36 1x60 s ILE 76 Cb -0.12 -0.09 0.06 0.00 1.25 0.00 0.00 42.46 43.56 1x60 s ILE 76 CO 0.03 0.01 0.56 -0.22 0.24 0.00 0.00 174.94 175.56 1x60 s LEU 77 N 0.16 5.09 0.10 0.37 2.96 -1.25 -2.44 118.68 123.67 1x60 s LEU 77 Ca -0.01 -0.97 0.06 0.00 -0.22 0.00 0.00 54.13 52.98 1x60 s LEU 77 Cb -0.02 -2.39 -0.03 0.00 0.50 0.00 0.00 46.19 44.25 1x60 s LEU 77 CO -0.00 -0.82 -0.15 -1.61 -1.32 0.00 0.00 176.35 172.44 1x60 s GLU 78 N 2.39 0.96 0.00 1.98 2.02 -0.26 -4.77 118.70 121.02 1x60 s GLU 78 Ca 0.13 -1.10 0.26 0.00 0.02 0.00 0.00 54.97 54.27 1x60 s GLU 78 Cb -0.20 -0.97 0.54 0.00 0.10 0.00 0.00 34.13 33.60 1x60 s GLU 78 CO 0.11 0.21 1.46 0.43 0.02 0.00 0.00 175.26 177.49