#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 0.40 -2.03 1.96 4.76 -1.26 -5.09 118.16 116.91 1x60 n LYS 2 Ca 0.00 -2.64 -0.02 0.00 -2.87 0.00 0.00 58.31 52.78 1x60 n LYS 2 Cb 0.00 2.25 0.06 0.00 -1.84 0.00 0.00 35.03 35.51 1x60 n LYS 2 CO 0.00 0.00 0.00 1.17 -1.37 0.00 0.00 177.40 177.20 1x60 n LYS 3 N -0.51 0.78 -3.78 1.97 4.81 -1.26 -5.08 118.16 115.08 1x60 n LYS 3 Ca 0.05 -0.83 -0.36 0.00 -0.87 0.00 0.00 58.31 56.30 1x60 n LYS 3 Cb 0.50 0.35 -0.11 0.00 0.02 0.00 0.00 35.03 35.78 1x60 n LYS 3 CO 0.00 0.00 0.00 0.95 1.17 0.00 0.00 177.40 179.52 1x60 s THR 4 N 0.07 3.36 -0.19 3.15 -4.23 -1.26 -5.08 115.64 111.47 1x60 s THR 4 Ca 0.05 -2.54 -0.09 0.00 -1.18 0.00 0.00 61.69 57.92 1x60 s THR 4 Cb 0.25 -3.26 -0.05 0.00 1.34 0.00 0.00 72.50 70.79 1x60 s THR 4 CO -0.07 -0.77 0.13 -0.94 -0.54 0.00 0.00 174.62 172.42 1x60 s SER 5 N 1.15 6.19 0.01 3.99 1.04 -1.26 -5.09 113.70 119.73 1x60 s SER 5 Ca 0.13 0.25 0.05 0.00 0.48 0.00 0.00 55.95 56.85 1x60 s SER 5 Cb -0.22 -2.08 -0.02 0.00 0.10 0.00 0.00 66.02 63.81 1x60 s SER 5 CO -0.04 0.21 -0.15 -0.55 0.98 0.00 0.00 173.24 173.69 1x60 s SER 6 N 0.19 1.77 0.53 7.02 0.15 -1.26 -5.07 113.70 117.03 1x60 s SER 6 Ca 0.09 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 56.38 1x60 s SER 6 Cb -0.11 -0.16 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 1x60 s SER 6 CO -0.01 0.13 0.00 -0.24 1.20 0.00 0.00 173.24 174.31 1x60 n SER 7 N 2.34 -7.64 0.00 5.45 2.88 -1.26 -5.08 113.62 110.32 1x60 n SER 7 Ca -0.16 1.69 0.00 0.00 -1.33 0.00 0.00 58.87 59.07 1x60 n SER 7 Cb 0.55 -4.48 0.00 0.00 -0.75 0.00 0.00 64.21 59.53 1x60 n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1x60 n GLY 8 N -2.48 2.81 2.99 0.46 0.00 -1.26 -4.91 105.19 102.81 1x60 n GLY 8 Ca 0.00 -2.07 -0.13 0.00 0.00 0.00 0.00 46.02 43.83 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 1.41 -0.45 0.99 1.43 0.15 -4.91 118.68 117.30 1x60 s LEU 9 Ca 0.00 0.26 -0.14 0.00 -1.03 0.00 0.00 54.13 53.22 1x60 s LEU 9 Cb 0.00 0.42 0.07 0.00 0.03 0.00 0.00 46.19 46.71 1x60 s LEU 9 CO 0.00 -0.06 0.34 -0.31 0.23 0.00 0.00 176.35 176.56 1x60 s TYR 10 N 0.23 3.27 0.18 0.29 2.02 -0.77 -1.70 117.35 120.86 1x60 s TYR 10 Ca -0.01 -1.07 0.09 0.00 -0.37 0.00 0.00 57.07 55.70 1x60 s TYR 10 Cb -0.02 -3.04 -0.04 0.00 -0.40 0.00 0.00 41.96 38.45 1x60 s TYR 10 CO -0.01 -0.79 -0.18 0.15 -1.57 0.00 0.00 175.55 173.16 1x60 s LYS 11 N 1.58 1.31 -0.08 -0.62 1.02 -1.03 -0.84 119.74 121.08 1x60 s LYS 11 Ca 0.04 -1.46 0.00 0.00 0.02 0.00 0.00 55.97 54.57 1x60 s LYS 11 Cb -0.23 -1.32 -0.03 0.00 -0.52 0.00 0.00 37.83 35.73 1x60 s LYS 11 CO 0.06 0.26 -0.07 0.08 -0.92 0.00 0.00 175.35 174.76 1x60 s VAL 12 N -2.24 3.69 -0.02 3.17 1.01 0.98 -1.43 120.40 125.55 1x60 s VAL 12 Ca 0.18 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1x60 s VAL 12 Cb -0.05 -2.52 0.00 0.00 0.00 0.00 0.00 36.38 33.81 1x60 s VAL 12 CO 0.07 0.58 -0.09 -1.58 0.00 0.00 0.00 175.10 174.08 1x60 s GLN 13 N -0.59 0.94 0.00 2.72 0.74 0.17 0.13 119.66 123.77 1x60 s GLN 13 Ca 0.09 -0.31 0.12 0.00 0.05 0.00 0.00 55.36 55.31 1x60 s GLN 13 Cb -0.12 -0.88 -0.02 0.00 1.10 0.00 0.00 33.01 33.09 1x60 s GLN 13 CO 0.02 0.13 0.69 0.44 -0.55 0.00 0.00 175.29 176.02 1x60 n ILE 14 N 3.22 0.00 0.00 -2.34 -0.00 -0.88 0.26 119.36 119.62 1x60 n ILE 14 Ca -0.17 -0.35 0.00 0.00 -0.00 0.00 0.00 62.75 62.22 1x60 n ILE 14 Cb 0.55 1.13 0.00 0.00 -0.00 0.00 0.00 39.64 41.31 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 1.03 1.00 3.30 3.28 0.00 -1.22 -4.54 105.19 108.04 1x60 n GLY 15 Ca 0.05 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.76 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 -1.00 -0.01 4.61 0.00 -1.26 0.43 121.76 122.53 1x60 s ALA 16 Ca 0.00 0.98 -0.09 0.00 0.00 0.00 0.00 51.96 52.85 1x60 s ALA 16 Cb 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.66 1x60 s ALA 16 CO 0.00 -0.22 0.19 -0.06 0.00 0.00 0.00 175.76 175.67 1x60 s PHE 17 N -0.19 -0.04 -0.14 0.00 0.40 0.38 -4.89 117.98 113.50 1x60 s PHE 17 Ca -0.04 0.03 0.24 0.00 -0.60 0.00 0.00 56.93 56.56 1x60 s PHE 17 Cb -0.03 0.00 1.28 0.00 0.51 0.00 0.00 43.02 44.78 1x60 s PHE 17 CO 0.02 -0.30 1.73 -0.22 0.70 0.00 0.00 175.22 177.15 1x60 h LYS 18 N 4.27 0.00 -5.32 0.44 3.64 -1.83 0.67 116.57 118.45 1x60 h LYS 18 Ca -0.30 0.00 -0.63 0.00 -1.27 0.00 0.00 60.65 58.45 1x60 h LYS 18 Cb 1.19 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.81 1x60 h LYS 18 CO 0.40 0.00 -0.64 0.08 -2.27 0.00 0.00 179.45 177.02 1x60 s VAL 19 N -3.59 4.10 0.14 2.00 1.01 -1.26 -4.61 120.40 118.19 1x60 s VAL 19 Ca -0.02 -0.28 -0.11 0.00 0.00 0.00 0.00 61.98 61.56 1x60 s VAL 19 Cb 0.07 -2.81 -0.03 0.00 0.00 0.00 0.00 36.38 33.61 1x60 s VAL 19 CO 0.23 0.49 1.49 0.50 0.00 0.00 0.00 175.10 177.81 1x60 h LYS 20 N 6.64 0.95 -0.75 2.72 3.11 -1.95 -1.86 116.57 125.42 1x60 h LYS 20 Ca -0.33 -0.48 0.11 0.00 -2.81 0.00 0.00 60.65 57.14 1x60 h LYS 20 Cb 1.19 0.01 -0.05 0.00 -1.00 0.00 0.00 32.23 32.37 1x60 h LYS 20 CO 0.64 1.14 0.49 0.00 -2.81 0.00 0.00 179.45 178.92 1x60 h ALA 21 N 0.79 1.89 -0.05 5.00 0.00 -1.96 0.44 119.26 125.37 1x60 h ALA 21 Ca 0.07 -0.00 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 1x60 h ALA 21 Cb 0.94 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1x60 h ALA 21 CO 0.09 -0.06 -0.76 -0.91 0.00 0.00 0.00 179.25 177.61 1x60 h ASN 22 N 0.59 0.40 1.23 0.00 2.35 -1.89 -2.49 115.58 115.77 1x60 h ASN 22 Ca 0.35 -0.27 0.00 0.00 -0.55 0.00 0.00 56.30 55.83 1x60 h ASN 22 Cb 0.57 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1x60 h ASN 22 CO -0.13 1.02 0.00 0.00 -1.65 0.00 0.00 177.43 176.67 1x60 h ALA 23 N 0.97 1.00 0.12 -0.83 0.00 0.45 -2.66 119.26 118.31 1x60 h ALA 23 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.58 1x60 h ALA 23 Cb 1.34 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.13 1x60 h ALA 23 CO 0.12 0.00 -1.45 0.22 0.00 0.00 0.00 179.25 178.14 1x60 h ASP 24 N 0.00 0.40 -0.42 0.00 3.58 -0.09 -2.77 116.42 117.12 1x60 h ASP 24 Ca 0.00 -0.51 -0.12 0.00 0.42 0.00 0.00 57.03 56.82 1x60 h ASP 24 Cb 0.61 -0.13 -0.02 0.00 1.72 0.00 0.00 39.33 41.52 1x60 h ASP 24 CO 0.00 1.42 -0.18 -1.28 -2.88 0.00 0.00 179.24 176.32 1x60 h SER 25 N 0.07 0.93 0.24 2.28 0.87 -1.30 -1.20 113.55 115.45 1x60 h SER 25 Ca -0.21 -0.33 -0.01 0.00 -1.23 0.00 0.00 61.79 60.00 1x60 h SER 25 Cb 2.00 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 63.71 1x60 h SER 25 CO 0.17 1.09 -0.11 0.25 -0.53 0.00 0.00 176.83 177.70 1x60 h LEU 26 N 0.80 -0.27 -2.49 2.23 5.85 -1.57 -2.42 115.31 117.44 1x60 h LEU 26 Ca 0.11 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.66 1x60 h LEU 26 Cb 0.73 0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 1x60 h LEU 26 CO 0.06 0.05 0.04 0.00 -0.34 0.00 0.00 178.44 178.25 1x60 h ALA 27 N 0.06 1.50 -0.24 1.25 0.00 -1.47 -1.35 119.26 119.01 1x60 h ALA 27 Ca -0.03 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1x60 h ALA 27 Cb 0.44 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1x60 h ALA 27 CO 0.05 -0.05 -0.38 0.77 0.00 0.00 0.00 179.25 179.64 1x60 h SER 28 N 0.00 0.76 -0.38 0.00 0.02 -0.88 -2.49 113.55 110.58 1x60 h SER 28 Ca 0.01 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.45 1x60 h SER 28 Cb 0.09 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.39 1x60 h SER 28 CO -0.00 1.13 0.25 -0.55 -1.14 0.00 0.00 176.83 176.52 1x60 h ASN 29 N 0.41 0.43 -0.82 3.07 7.08 -0.77 -2.39 115.58 122.60 1x60 h ASN 29 Ca 0.02 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 53.24 1x60 h ASN 29 Cb 0.97 -0.11 -0.04 0.00 -2.08 0.00 0.00 38.32 37.07 1x60 h ASN 29 CO 0.09 0.31 0.53 0.00 -2.08 0.00 0.00 177.43 176.27 1x60 h ALA 30 N 1.14 1.04 -0.85 4.14 0.00 -1.51 -1.76 119.26 121.46 1x60 h ALA 30 Ca 0.14 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1x60 h ALA 30 Cb -0.05 -0.33 -0.06 0.00 0.00 0.00 0.00 17.79 17.34 1x60 h ALA 30 CO -0.03 0.47 0.55 1.49 0.00 0.00 0.00 179.25 181.73 1x60 h GLU 31 N 1.12 0.74 -0.30 0.00 4.81 -0.96 -1.10 114.58 118.88 1x60 h GLU 31 Ca 0.30 -0.04 0.06 0.00 -0.13 0.00 0.00 59.36 59.54 1x60 h GLU 31 Cb -0.10 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.06 1x60 h GLU 31 CO -0.06 0.49 -0.08 0.00 -0.73 0.00 0.00 179.01 178.63 1x60 h ALA 32 N 1.59 0.20 0.00 2.92 0.00 -0.89 0.28 119.26 123.36 1x60 h ALA 32 Ca 0.41 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.41 1x60 h ALA 32 Cb 0.53 0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1x60 h ALA 32 CO -0.17 -0.46 -0.13 0.87 0.00 0.00 0.00 179.25 179.36 1x60 h LYS 33 N 0.00 0.00 0.00 0.00 1.79 -1.21 -3.46 116.57 113.70 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 0.22 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.87 1x60 h LYS 33 CO -0.31 0.13 0.00 0.41 -1.08 0.00 0.00 179.45 178.60 1x60 n GLY 34 N -1.10 1.71 3.92 3.86 0.00 0.98 -5.13 105.19 109.44 1x60 n GLY 34 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 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 3.38 -0.81 1.61 0.08 -0.85 -4.98 117.98 114.41 1x60 s PHE 35 Ca 0.00 -0.00 -0.21 0.00 0.12 0.00 0.00 56.93 56.83 1x60 s PHE 35 Cb 0.00 -1.56 0.09 0.00 -0.57 0.00 0.00 43.02 40.98 1x60 s PHE 35 CO 0.00 0.48 1.10 -0.51 -0.10 0.00 0.00 175.22 176.19 1x60 s ASP 36 N -3.70 6.39 0.57 1.36 1.01 -1.26 -4.02 116.67 117.02 1x60 s ASP 36 Ca 0.34 -1.43 -0.14 0.00 0.71 0.00 0.00 52.55 52.03 1x60 s ASP 36 Cb -0.09 -2.44 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 1x60 s ASP 36 CO 0.28 -1.32 1.01 -0.94 0.21 0.00 0.00 175.17 174.40 1x60 s SER 37 N 3.82 6.42 -0.20 0.27 1.04 -1.26 -2.39 113.70 121.40 1x60 s SER 37 Ca 0.30 1.49 -0.17 0.00 0.48 0.00 0.00 55.95 58.04 1x60 s SER 37 Cb -0.10 -2.49 0.06 0.00 0.10 0.00 0.00 66.02 63.59 1x60 s SER 37 CO 0.00 -0.73 0.53 -0.51 0.98 0.00 0.00 173.24 173.51 1x60 s ILE 38 N -2.91 -0.00 -0.28 -1.02 2.07 0.66 -4.96 121.20 114.76 1x60 s ILE 38 Ca 0.57 0.01 -0.02 0.00 -1.41 0.00 0.00 60.65 59.80 1x60 s ILE 38 Cb -0.10 -0.75 0.03 0.00 0.13 0.00 0.00 42.46 41.77 1x60 s ILE 38 CO 0.43 0.01 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.76 1x60 s VAL 39 N 0.60 3.04 -0.21 4.00 1.01 -1.25 -1.29 120.40 126.30 1x60 s VAL 39 Ca -0.03 -1.15 -0.05 0.00 0.00 0.00 0.00 61.98 60.76 1x60 s VAL 39 Cb -0.05 -2.64 -0.02 0.00 0.00 0.00 0.00 36.38 33.67 1x60 s VAL 39 CO -0.03 0.05 -0.00 -0.22 0.00 0.00 0.00 175.10 174.89 1x60 s LEU 40 N 1.31 3.18 -0.35 3.92 2.96 -0.73 -4.89 118.68 124.09 1x60 s LEU 40 Ca -0.02 -0.25 -0.23 0.00 -0.22 0.00 0.00 54.13 53.41 1x60 s LEU 40 Cb -0.18 -1.81 0.01 0.00 0.50 0.00 0.00 46.19 44.70 1x60 s LEU 40 CO -0.02 0.03 0.76 -0.22 -1.32 0.00 0.00 176.35 175.58 1x60 s LEU 41 N 1.19 4.14 0.36 -0.68 2.96 -1.26 -0.76 118.68 124.62 1x60 s LEU 41 Ca 0.03 0.38 0.07 0.00 -0.22 0.00 0.00 54.13 54.39 1x60 s LEU 41 Cb -0.15 -2.99 -0.01 0.00 0.50 0.00 0.00 46.19 43.54 1x60 s LEU 41 CO 0.01 -0.68 0.46 -1.59 -1.32 0.00 0.00 176.35 173.22 1x60 s LYS 42 N 3.01 2.96 0.00 1.98 0.00 0.22 -4.93 119.74 122.98 1x60 s LYS 42 Ca 0.30 -1.14 -0.14 0.00 0.00 0.00 0.00 55.97 55.00 1x60 s LYS 42 Cb -0.14 -2.73 -0.17 0.00 0.00 0.00 0.00 37.83 34.80 1x60 s LYS 42 CO 0.16 -0.01 1.09 -3.47 0.00 0.00 0.00 175.35 173.11 1x60 n ASP 43 N -1.63 0.30 0.00 0.03 -0.08 -1.26 -2.01 116.55 111.90 1x60 n ASP 43 Ca 0.01 -1.85 0.00 0.00 -1.51 0.00 0.00 54.79 51.44 1x60 n ASP 43 Cb 0.59 -0.38 0.00 0.00 2.34 0.00 0.00 41.12 43.67 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 4.22 1.30 3.13 0.27 0.00 -1.26 -5.13 105.19 107.72 1x60 n GLY 44 Ca 0.21 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.15 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 2.08 -0.10 0.99 1.43 -0.85 -4.53 118.68 117.71 1x60 s LEU 45 Ca 0.00 -1.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.09 1x60 s LEU 45 Cb 0.00 0.38 -0.02 0.00 0.03 0.00 0.00 46.19 46.57 1x60 s LEU 45 CO 0.00 -0.67 -0.11 -0.31 0.23 0.00 0.00 176.35 175.50 1x60 s TYR 46 N -3.95 2.84 0.07 0.29 1.51 0.23 0.73 117.35 119.07 1x60 s TYR 46 Ca 0.12 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.87 1x60 s TYR 46 Cb 0.07 -1.78 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1x60 s TYR 46 CO -0.06 0.02 0.03 0.15 -1.11 0.00 0.00 175.55 174.57 1x60 s LYS 47 N -0.13 2.72 -0.35 -0.62 3.01 0.06 0.14 119.74 124.57 1x60 s LYS 47 Ca -0.00 -0.73 0.03 0.00 -1.01 0.00 0.00 55.97 54.26 1x60 s LYS 47 Cb -0.13 -2.64 0.10 0.00 -1.01 0.00 0.00 37.83 34.15 1x60 s LYS 47 CO 0.03 0.57 0.08 0.08 0.51 0.00 0.00 175.35 176.62 1x60 s VAL 48 N -1.29 2.09 -0.04 3.17 1.01 0.17 -1.77 120.40 123.74 1x60 s VAL 48 Ca 0.26 -2.30 -0.00 0.00 0.00 0.00 0.00 61.98 59.93 1x60 s VAL 48 Cb -0.12 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.69 1x60 s VAL 48 CO 0.18 -0.63 0.03 -1.58 0.00 0.00 0.00 175.10 173.09 1x60 s GLN 49 N 0.90 2.94 -0.06 2.72 0.74 -0.41 -2.07 119.66 124.42 1x60 s GLN 49 Ca 0.11 -0.49 -0.01 0.00 0.05 0.00 0.00 55.36 55.03 1x60 s GLN 49 Cb -0.19 -2.78 0.03 0.00 1.10 0.00 0.00 33.01 31.17 1x60 s GLN 49 CO -0.10 0.66 -0.01 0.96 -0.55 0.00 0.00 175.29 176.26 1x60 s ILE 50 N -1.04 0.36 0.00 -2.34 -5.25 0.35 -0.25 121.20 113.03 1x60 s ILE 50 Ca 0.18 0.08 0.00 0.00 -0.99 0.00 0.00 60.65 59.92 1x60 s ILE 50 Cb -0.12 -0.49 0.00 0.00 2.95 0.00 0.00 42.46 44.81 1x60 s ILE 50 CO 0.08 0.23 0.00 0.61 -1.79 0.00 0.00 174.94 174.07 1x60 n GLY 51 N 4.78 -2.67 2.75 6.27 0.00 -1.00 -3.09 105.19 112.23 1x60 n GLY 51 Ca -0.13 -0.60 -0.26 0.00 0.00 0.00 0.00 46.02 45.02 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 0.94 0.34 4.61 0.00 -1.26 -0.02 121.76 126.37 1x60 s ALA 52 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1x60 s ALA 52 Cb 0.00 -1.06 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 1x60 s ALA 52 CO 0.00 -0.97 0.13 -0.06 0.00 0.00 0.00 175.76 174.86 1x60 s PHE 53 N 1.88 1.72 -0.59 0.00 0.40 -0.02 -4.98 117.98 116.39 1x60 s PHE 53 Ca 0.01 -1.26 0.24 0.00 -0.60 0.00 0.00 56.93 55.32 1x60 s PHE 53 Cb -0.16 -1.03 0.45 0.00 0.51 0.00 0.00 43.02 42.79 1x60 s PHE 53 CO -0.07 -0.35 1.47 1.03 0.70 0.00 0.00 175.22 178.00 1x60 h SER 54 N 2.07 0.00 -3.33 1.36 0.87 -1.95 -2.05 113.55 110.52 1x60 h SER 54 Ca -0.36 -0.09 -0.65 0.00 -1.23 0.00 0.00 61.79 59.47 1x60 h SER 54 Cb 1.26 0.00 -0.25 0.00 -0.44 0.00 0.00 62.40 62.97 1x60 h SER 54 CO 0.57 0.04 -0.72 -0.55 -0.53 0.00 0.00 176.83 175.65 1x60 s SER 55 N -4.75 4.38 0.36 6.23 0.15 -1.26 -4.65 113.70 114.15 1x60 s SER 55 Ca 0.07 -0.26 0.08 0.00 0.70 0.00 0.00 55.95 56.54 1x60 s SER 55 Cb 0.11 -1.70 0.80 0.00 -1.71 0.00 0.00 66.02 63.52 1x60 s SER 55 CO 0.68 0.14 1.89 0.50 1.20 0.00 0.00 173.24 177.65 1x60 h LYS 56 N 6.94 0.68 -0.71 5.44 3.11 -1.89 -0.03 116.57 130.11 1x60 h LYS 56 Ca -0.30 -0.04 0.20 0.00 -2.81 0.00 0.00 60.65 57.70 1x60 h LYS 56 Cb 1.20 -0.15 -0.03 0.00 -1.00 0.00 0.00 32.23 32.24 1x60 h LYS 56 CO 0.59 0.45 0.51 0.22 -2.81 0.00 0.00 179.45 178.41 1x60 h ASP 57 N 0.71 0.02 -0.02 4.20 1.82 -1.97 0.37 116.42 121.55 1x60 h ASP 57 Ca 0.41 0.00 -0.02 0.00 -0.39 0.00 0.00 57.03 57.04 1x60 h ASP 57 Cb 0.60 -0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.61 1x60 h ASP 57 CO -0.17 0.01 -0.05 0.78 -1.61 0.00 0.00 179.24 178.19 1x60 h ASN 58 N 0.02 0.08 -0.78 2.28 4.21 -1.38 -2.65 115.58 117.36 1x60 h ASN 58 Ca 0.34 -0.61 -0.02 0.00 1.21 0.00 0.00 56.30 57.22 1x60 h ASN 58 Cb 1.32 -0.02 -0.04 0.00 -1.12 0.00 0.00 38.32 38.46 1x60 h ASN 58 CO -0.01 0.67 0.40 0.00 -1.29 0.00 0.00 177.43 177.20 1x60 h ALA 59 N 0.41 1.00 0.08 -0.83 0.00 -1.20 -2.18 119.26 116.53 1x60 h ALA 59 Ca -0.00 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.77 1x60 h ALA 59 Cb 0.66 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 1x60 h ALA 59 CO 0.01 0.54 -0.05 -0.44 0.00 0.00 0.00 179.25 179.31 1x60 h ASP 60 N 1.09 -0.13 -0.84 0.00 5.19 -1.04 0.27 116.42 120.96 1x60 h ASP 60 Ca 0.27 0.01 0.07 0.00 -0.62 0.00 0.00 57.03 56.76 1x60 h ASP 60 Cb 0.08 0.04 -0.06 0.00 0.18 0.00 0.00 39.33 39.57 1x60 h ASP 60 CO -0.04 -0.09 0.55 0.74 -3.12 0.00 0.00 179.24 177.28 1x60 h THR 61 N -0.13 1.03 0.01 0.35 2.02 -1.31 -0.92 112.91 113.94 1x60 h THR 61 Ca -0.00 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.87 1x60 h THR 61 Cb 0.12 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.58 1x60 h THR 61 CO 0.00 0.16 -0.00 0.25 0.37 0.00 0.00 175.52 176.30 1x60 h LEU 62 N 0.90 -0.01 0.38 2.58 7.12 -0.91 -2.48 115.31 122.89 1x60 h LEU 62 Ca 0.37 -0.43 -0.01 0.00 0.13 0.00 0.00 57.88 57.94 1x60 h LEU 62 Cb 0.27 0.00 -0.03 0.00 -0.53 0.00 0.00 40.66 40.38 1x60 h LEU 62 CO -0.14 0.43 -0.49 0.00 -0.13 0.00 0.00 178.44 178.11 1x60 h ALA 63 N 0.55 -1.09 -0.91 1.25 0.00 0.12 0.43 119.26 119.59 1x60 h ALA 63 Ca -0.00 -0.16 0.17 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 63 Cb 0.44 0.76 -0.07 0.00 0.00 0.00 0.00 17.79 18.91 1x60 h ALA 63 CO 0.00 -1.15 0.59 0.00 0.00 0.00 0.00 179.25 178.69 1x60 h ALA 64 N -0.86 1.95 -0.75 0.00 0.00 -1.29 0.19 119.26 118.50 1x60 h ALA 64 Ca -0.05 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1x60 h ALA 64 Cb 0.80 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1x60 h ALA 64 CO -0.12 -0.23 0.25 -0.09 0.00 0.00 0.00 179.25 179.06 1x60 h ARG 65 N 0.59 1.17 -0.69 0.00 2.43 -0.86 -0.23 114.38 116.78 1x60 h ARG 65 Ca 0.48 -0.24 -0.06 0.00 -0.81 0.00 0.00 59.98 59.34 1x60 h ARG 65 Cb 0.92 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 30.27 1x60 h ARG 65 CO -0.22 0.98 0.18 0.00 -1.51 0.00 0.00 179.97 179.40 1x60 h ALA 66 N 1.13 0.91 -0.29 2.80 0.00 0.15 0.86 119.26 124.83 1x60 h ALA 66 Ca 0.24 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1x60 h ALA 66 Cb 0.29 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1x60 h ALA 66 CO -0.01 0.62 0.15 0.87 0.00 0.00 0.00 179.25 180.88 1x60 h LYS 67 N 1.03 0.40 0.00 0.00 1.57 -0.09 1.34 116.57 120.83 1x60 h LYS 67 Ca 0.22 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.88 1x60 h LYS 67 Cb 0.35 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1x60 h LYS 67 CO -0.00 0.37 -0.30 -0.97 -0.57 0.00 0.00 179.45 177.98 1x60 h ASN 68 N 0.33 0.00 1.46 0.86 -1.24 -0.70 -2.46 115.58 113.83 1x60 h ASN 68 Ca 0.10 0.00 -0.04 0.00 0.71 0.00 0.00 56.30 57.07 1x60 h ASN 68 Cb 0.09 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.14 1x60 h ASN 68 CO -0.01 0.30 -0.20 0.00 -1.29 0.00 0.00 177.43 176.22 1x60 h ALA 69 N 1.70 0.91 0.00 1.57 0.00 0.18 -3.47 119.26 120.15 1x60 h ALA 69 Ca -0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1x60 h ALA 69 Cb 0.69 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x60 h ALA 69 CO 0.04 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1x60 n GLY 70 N 0.76 1.76 3.16 0.00 0.00 0.43 -5.04 105.19 106.26 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 1.19 -1.21 1.61 0.08 0.43 -4.98 117.98 113.10 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 -0.68 0.21 0.00 -0.57 0.00 0.00 43.02 41.98 1x60 s PHE 71 CO 0.00 0.05 1.65 -3.47 -0.10 0.00 0.00 175.22 173.35 1x60 n ASP 72 N 1.44 5.45 -4.80 1.36 2.03 -1.26 -1.50 116.55 119.28 1x60 n ASP 72 Ca -0.20 -3.15 -0.38 0.00 0.52 0.00 0.00 54.79 51.58 1x60 n ASP 72 Cb 0.54 -1.44 -0.06 0.00 -0.72 0.00 0.00 41.12 39.44 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 -0.24 3.44 0.09 -1.67 0.00 -1.26 -4.11 121.76 118.02 1x60 s ALA 73 Ca 0.38 0.25 0.04 0.00 0.00 0.00 0.00 51.96 52.63 1x60 s ALA 73 Cb 0.05 -2.87 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 1x60 s ALA 73 CO 0.02 0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.95 1x60 s ILE 74 N -1.30 0.92 -0.11 0.00 -4.36 0.14 -4.68 121.20 111.81 1x60 s ILE 74 Ca 0.38 -1.59 -0.02 0.00 -0.26 0.00 0.00 60.65 59.16 1x60 s ILE 74 Cb -0.20 -1.30 -0.03 0.00 1.25 0.00 0.00 42.46 42.18 1x60 s ILE 74 CO 0.23 -0.53 -0.03 -0.69 0.24 0.00 0.00 174.94 174.16 1x60 s VAL 75 N -2.32 4.02 0.00 8.37 1.01 -1.26 0.45 120.40 130.67 1x60 s VAL 75 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.69 1x60 s VAL 75 Cb -0.04 -2.71 -0.00 0.00 0.00 0.00 0.00 36.38 33.63 1x60 s VAL 75 CO 0.00 0.56 -0.03 0.27 0.00 0.00 0.00 175.10 175.89 1x60 s ILE 76 N -0.35 0.26 -0.49 2.22 -4.36 -0.51 -4.99 121.20 112.97 1x60 s ILE 76 Ca 0.06 -0.24 -0.15 0.00 -0.26 0.00 0.00 60.65 60.06 1x60 s ILE 76 Cb -0.12 -0.24 0.10 0.00 1.25 0.00 0.00 42.46 43.44 1x60 s ILE 76 CO 0.02 0.01 0.42 -0.22 0.24 0.00 0.00 174.94 175.41 1x60 s LEU 77 N -0.26 5.79 -0.11 0.37 2.96 -1.25 -2.47 118.68 123.71 1x60 s LEU 77 Ca -0.01 -1.55 -0.03 0.00 -0.22 0.00 0.00 54.13 52.32 1x60 s LEU 77 Cb -0.02 -2.16 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1x60 s LEU 77 CO -0.00 -0.72 0.03 -1.61 -1.32 0.00 0.00 176.35 172.74 1x60 s GLU 78 N 1.59 3.21 0.00 1.98 2.02 -0.69 -4.77 118.70 122.04 1x60 s GLU 78 Ca 0.04 -0.35 0.17 0.00 0.02 0.00 0.00 54.97 54.84 1x60 s GLU 78 Cb -0.26 -2.92 0.13 0.00 0.10 0.00 0.00 34.13 31.18 1x60 s GLU 78 CO 0.04 0.65 1.03 0.45 0.02 0.00 0.00 175.26 177.45