#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 1.26 0.00 1.96 4.01 -1.26 -4.52 118.16 119.62 1x60 n LYS 2 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 1x60 n LYS 2 Cb 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.52 1x60 n LYS 2 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 1x60 n LYS 3 N -0.66 0.00 -2.65 1.97 4.01 -1.26 -4.74 118.16 114.83 1x60 n LYS 3 Ca 0.00 0.00 -0.27 0.00 -0.51 0.00 0.00 58.31 57.53 1x60 n LYS 3 Cb 0.00 0.00 0.01 0.00 -0.51 0.00 0.00 35.03 34.53 1x60 n LYS 3 CO 0.00 0.00 0.00 0.95 -1.11 0.00 0.00 177.40 177.24 1x60 s THR 4 N 0.00 4.58 -0.44 -0.18 -4.23 -1.26 -5.03 115.64 109.08 1x60 s THR 4 Ca 0.00 0.07 -0.27 0.00 -1.18 0.00 0.00 61.69 60.31 1x60 s THR 4 Cb 0.00 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.12 1x60 s THR 4 CO 0.00 -0.71 1.01 -0.94 -0.54 0.00 0.00 174.62 173.44 1x60 s SER 5 N -4.15 6.62 0.49 3.99 1.04 -1.26 -4.80 113.70 115.62 1x60 s SER 5 Ca 0.48 0.41 0.00 0.00 0.48 0.00 0.00 55.95 57.33 1x60 s SER 5 Cb -0.10 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 63.52 1x60 s SER 5 CO 0.44 -1.06 0.00 -1.20 0.98 0.00 0.00 173.24 172.40 1x60 n SER 6 N 7.29 -7.83 -2.39 7.02 7.64 -1.26 -4.73 113.62 119.37 1x60 n SER 6 Ca 0.09 1.23 -0.35 0.00 1.01 0.00 0.00 58.87 60.85 1x60 n SER 6 Cb 0.48 -4.29 0.07 0.00 -1.01 0.00 0.00 64.21 59.46 1x60 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x60 n SER 7 N -1.20 7.41 -3.69 6.43 7.64 -1.26 -4.94 113.62 124.01 1x60 n SER 7 Ca 0.00 -3.79 -0.13 0.00 1.01 0.00 0.00 58.87 55.96 1x60 n SER 7 Cb 0.08 -0.93 -0.07 0.00 -1.01 0.00 0.00 64.21 62.28 1x60 n SER 7 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 1x60 s GLY 8 N -1.91 -0.24 -0.05 0.23 0.00 -1.25 -4.19 107.32 99.90 1x60 s GLY 8 Ca 0.62 0.32 -0.05 0.00 0.00 0.00 0.00 44.72 45.61 1x60 s GLY 8 CO -0.06 0.08 0.14 1.08 0.00 0.00 0.00 173.10 174.33 1x60 s LEU 9 N -1.83 1.45 -0.44 0.66 1.43 -0.94 -4.89 118.68 114.12 1x60 s LEU 9 Ca -0.07 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.16 1x60 s LEU 9 Cb -0.02 0.50 0.06 0.00 0.03 0.00 0.00 46.19 46.77 1x60 s LEU 9 CO -0.00 -0.07 0.32 -0.31 0.23 0.00 0.00 176.35 176.52 1x60 s TYR 10 N 0.00 3.27 0.16 0.29 2.02 -0.81 -0.08 117.35 122.20 1x60 s TYR 10 Ca -0.01 -1.04 0.09 0.00 -0.37 0.00 0.00 57.07 55.74 1x60 s TYR 10 Cb -0.01 -2.93 -0.04 0.00 -0.40 0.00 0.00 41.96 38.57 1x60 s TYR 10 CO 0.00 -0.76 -0.19 0.15 -1.57 0.00 0.00 175.55 173.18 1x60 s LYS 11 N 1.58 1.29 0.01 -0.62 1.02 -1.02 -0.99 119.74 121.01 1x60 s LYS 11 Ca 0.04 -1.40 0.00 0.00 0.02 0.00 0.00 55.97 54.62 1x60 s LYS 11 Cb -0.22 -1.39 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 1x60 s LYS 11 CO 0.06 0.29 0.08 0.08 -0.92 0.00 0.00 175.35 174.93 1x60 s VAL 12 N -1.95 4.68 -0.02 3.17 1.01 -0.16 -1.38 120.40 125.75 1x60 s VAL 12 Ca 0.16 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.68 1x60 s VAL 12 Cb -0.06 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.18 1x60 s VAL 12 CO 0.07 0.32 -0.01 -1.58 0.00 0.00 0.00 175.10 173.90 1x60 s GLN 13 N -1.80 0.27 0.00 2.72 -0.44 0.20 0.12 119.66 120.73 1x60 s GLN 13 Ca 0.23 0.00 0.14 0.00 -2.50 0.00 0.00 55.36 53.24 1x60 s GLN 13 Cb -0.12 -0.38 -0.02 0.00 -1.64 0.00 0.00 33.01 30.85 1x60 s GLN 13 CO 0.15 -0.05 0.76 0.44 0.50 0.00 0.00 175.29 177.09 1x60 n ILE 14 N 3.67 0.00 0.00 -2.34 -0.00 -0.82 0.19 119.36 120.06 1x60 n ILE 14 Ca -0.21 -0.33 0.00 0.00 -0.00 0.00 0.00 62.75 62.21 1x60 n ILE 14 Cb 0.54 1.15 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 1.11 1.78 3.28 3.28 0.00 -1.23 -4.52 105.19 108.89 1x60 n GLY 15 Ca 0.05 -1.04 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -0.97 -0.02 4.61 0.00 -1.26 0.11 121.76 122.23 1x60 s ALA 16 Ca 0.00 1.06 -0.18 0.00 0.00 0.00 0.00 51.96 52.84 1x60 s ALA 16 Cb 0.00 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.56 1x60 s ALA 16 CO 0.00 -0.19 0.37 -0.06 0.00 0.00 0.00 175.76 175.88 1x60 s PHE 17 N 0.09 -0.26 -0.38 0.00 0.40 0.36 -4.90 117.98 113.29 1x60 s PHE 17 Ca -0.01 0.41 0.18 0.00 -0.60 0.00 0.00 56.93 56.90 1x60 s PHE 17 Cb -0.03 0.15 0.93 0.00 0.51 0.00 0.00 43.02 44.59 1x60 s PHE 17 CO 0.01 -0.43 1.54 0.36 0.70 0.00 0.00 175.22 177.40 1x60 n LYS 18 N 1.20 0.11 -4.13 0.44 2.85 -1.26 0.69 118.16 118.06 1x60 n LYS 18 Ca -0.21 0.59 -0.34 0.00 -1.05 0.00 0.00 58.31 57.30 1x60 n LYS 18 Cb 0.56 -1.86 -0.11 0.00 -0.65 0.00 0.00 35.03 32.97 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 -3.42 4.39 0.10 0.58 1.01 -1.26 -4.62 120.40 117.18 1x60 s VAL 19 Ca -0.01 -0.17 -0.13 0.00 0.00 0.00 0.00 61.98 61.66 1x60 s VAL 19 Cb 0.05 -2.97 -0.12 0.00 0.00 0.00 0.00 36.38 33.35 1x60 s VAL 19 CO 0.17 0.46 1.36 0.50 0.00 0.00 0.00 175.10 177.60 1x60 h LYS 20 N 6.85 0.79 -0.77 2.72 3.64 -1.96 -2.47 116.57 125.38 1x60 h LYS 20 Ca -0.35 -0.53 0.22 0.00 -1.27 0.00 0.00 60.65 58.72 1x60 h LYS 20 Cb 1.18 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 33.04 1x60 h LYS 20 CO 0.66 1.16 0.57 0.00 -2.27 0.00 0.00 179.45 179.57 1x60 h ALA 21 N 0.63 2.70 0.04 5.00 0.00 -1.96 1.04 119.26 126.71 1x60 h ALA 21 Ca -0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 54.91 54.63 1x60 h ALA 21 Cb 1.16 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1x60 h ALA 21 CO 0.12 -0.97 -1.21 -0.91 0.00 0.00 0.00 179.25 176.28 1x60 h ASN 22 N 0.00 0.15 1.25 0.00 2.35 -1.90 -2.71 115.58 114.71 1x60 h ASN 22 Ca 0.37 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 1x60 h ASN 22 Cb 1.51 -0.05 -0.01 0.00 0.05 0.00 0.00 38.32 39.82 1x60 h ASN 22 CO -0.00 1.14 -0.23 0.00 -1.65 0.00 0.00 177.43 176.69 1x60 h ALA 23 N 0.84 0.93 0.21 -0.83 0.00 0.13 -2.56 119.26 117.99 1x60 h ALA 23 Ca -0.10 -0.21 -0.34 0.00 0.00 0.00 0.00 54.91 54.26 1x60 h ALA 23 Cb 1.88 -0.04 0.02 0.00 0.00 0.00 0.00 17.79 19.65 1x60 h ALA 23 CO 0.14 0.28 -1.59 -0.44 0.00 0.00 0.00 179.25 177.64 1x60 h ASP 24 N 0.00 0.70 -0.49 0.00 5.19 -0.27 -2.63 116.42 118.93 1x60 h ASP 24 Ca -0.00 -0.93 -0.06 0.00 -0.62 0.00 0.00 57.03 55.42 1x60 h ASP 24 Cb 0.91 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 40.17 1x60 h ASP 24 CO 0.03 1.74 0.10 -1.28 -3.12 0.00 0.00 179.24 176.71 1x60 h SER 25 N 0.09 0.80 -0.12 6.45 0.87 -1.48 -1.81 113.55 118.34 1x60 h SER 25 Ca -0.30 -0.16 -0.03 0.00 -1.23 0.00 0.00 61.79 60.07 1x60 h SER 25 Cb 2.10 -0.21 -0.00 0.00 -0.44 0.00 0.00 62.40 63.85 1x60 h SER 25 CO 0.21 0.80 -0.05 0.25 -0.53 0.00 0.00 176.83 177.51 1x60 h LEU 26 N 0.81 0.26 -2.33 2.23 5.85 -1.55 -2.40 115.31 118.18 1x60 h LEU 26 Ca 0.17 -0.41 0.02 0.00 0.84 0.00 0.00 57.88 58.51 1x60 h LEU 26 Cb 0.34 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 41.30 1x60 h LEU 26 CO 0.00 0.61 0.09 0.00 -0.34 0.00 0.00 178.44 178.80 1x60 h ALA 27 N 0.66 1.69 -0.07 1.25 0.00 -1.24 -1.27 119.26 120.29 1x60 h ALA 27 Ca 0.03 -0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 27 Cb 0.51 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.32 1x60 h ALA 27 CO 0.02 -0.13 -0.82 0.77 0.00 0.00 0.00 179.25 179.08 1x60 h SER 28 N 0.00 0.84 -0.17 0.00 0.02 -1.00 -2.51 113.55 110.73 1x60 h SER 28 Ca 0.04 -0.69 0.01 0.00 -0.84 0.00 0.00 61.79 60.31 1x60 h SER 28 Cb 0.22 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 1x60 h SER 28 CO -0.00 1.41 0.08 -0.55 -1.14 0.00 0.00 176.83 176.62 1x60 h ASN 29 N 0.34 0.11 -0.65 3.07 -1.07 -0.75 -2.15 115.58 114.48 1x60 h ASN 29 Ca -0.08 0.01 -0.04 0.00 0.07 0.00 0.00 56.30 56.26 1x60 h ASN 29 Cb 1.48 -0.01 -0.03 0.00 -2.07 0.00 0.00 38.32 37.69 1x60 h ASN 29 CO 0.17 0.09 0.27 0.00 0.07 0.00 0.00 177.43 178.02 1x60 h ALA 30 N 1.09 1.20 -0.86 4.14 0.00 -1.57 -2.14 119.26 121.12 1x60 h ALA 30 Ca 0.07 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 30 Cb 0.02 -0.27 -0.07 0.00 0.00 0.00 0.00 17.79 17.48 1x60 h ALA 30 CO -0.06 0.58 0.56 1.49 0.00 0.00 0.00 179.25 181.82 1x60 h GLU 31 N 0.98 0.67 -0.34 0.00 4.81 -0.93 -1.30 114.58 118.46 1x60 h GLU 31 Ca 0.23 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.49 1x60 h GLU 31 Cb 0.19 -0.15 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 1x60 h GLU 31 CO -0.02 0.44 -0.10 0.00 -0.73 0.00 0.00 179.01 178.61 1x60 h ALA 32 N 1.60 0.21 0.00 2.92 0.00 -0.86 0.37 119.26 123.49 1x60 h ALA 32 Ca 0.42 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 1x60 h ALA 32 Cb 0.65 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 18.72 1x60 h ALA 32 CO -0.18 -0.47 -0.09 0.87 0.00 0.00 0.00 179.25 179.37 1x60 h LYS 33 N -0.02 0.00 0.00 0.00 1.79 -1.32 -3.45 116.57 113.57 1x60 h LYS 33 Ca 0.16 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1x60 h LYS 33 Cb 0.27 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.92 1x60 h LYS 33 CO -0.36 0.09 0.00 0.41 -1.08 0.00 0.00 179.45 178.52 1x60 n GLY 34 N -1.13 1.78 3.94 3.86 0.00 0.13 -5.12 105.19 108.64 1x60 n GLY 34 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 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 3.49 -0.93 1.61 0.08 -1.01 -4.99 117.98 114.22 1x60 s PHE 35 Ca 0.00 0.19 -0.23 0.00 0.12 0.00 0.00 56.93 57.01 1x60 s PHE 35 Cb 0.00 -1.73 0.06 0.00 -0.57 0.00 0.00 43.02 40.78 1x60 s PHE 35 CO 0.00 0.49 1.35 0.34 -0.10 0.00 0.00 175.22 177.30 1x60 s ASP 36 N -3.12 6.43 0.53 1.36 2.15 -1.26 -4.10 116.67 118.66 1x60 s ASP 36 Ca 0.36 -1.30 -0.16 0.00 0.43 0.00 0.00 52.55 51.88 1x60 s ASP 36 Cb -0.11 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.90 1x60 s ASP 36 CO 0.28 -1.52 1.00 -0.94 -0.17 0.00 0.00 175.17 173.82 1x60 s SER 37 N 4.50 6.52 -0.22 -0.34 1.04 -1.26 -1.69 113.70 122.26 1x60 s SER 37 Ca 0.41 1.56 -0.22 0.00 0.48 0.00 0.00 55.95 58.18 1x60 s SER 37 Cb -0.03 -2.50 0.06 0.00 0.10 0.00 0.00 66.02 63.65 1x60 s SER 37 CO -0.04 -0.66 0.62 -0.51 0.98 0.00 0.00 173.24 173.63 1x60 s ILE 38 N -2.69 0.00 -0.20 -1.02 2.07 0.14 -4.94 121.20 114.55 1x60 s ILE 38 Ca 0.59 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.82 1x60 s ILE 38 Cb -0.10 -0.87 0.02 0.00 0.13 0.00 0.00 42.46 41.64 1x60 s ILE 38 CO 0.35 -0.01 -0.16 -0.69 -1.91 0.00 0.00 174.94 172.53 1x60 s VAL 39 N 0.19 2.31 -0.15 4.00 1.01 -1.25 -0.69 120.40 125.82 1x60 s VAL 39 Ca -0.01 -0.99 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1x60 s VAL 39 Cb -0.04 -2.05 -0.01 0.00 0.00 0.00 0.00 36.38 34.28 1x60 s VAL 39 CO 0.02 0.42 -0.15 -0.22 0.00 0.00 0.00 175.10 175.17 1x60 s LEU 40 N 1.29 2.55 -0.39 3.92 2.96 -0.71 -4.90 118.68 123.40 1x60 s LEU 40 Ca 0.03 -0.43 -0.23 0.00 -0.22 0.00 0.00 54.13 53.28 1x60 s LEU 40 Cb -0.14 -1.58 0.01 0.00 0.50 0.00 0.00 46.19 44.98 1x60 s LEU 40 CO -0.10 0.11 0.78 -0.22 -1.32 0.00 0.00 176.35 175.60 1x60 s LEU 41 N 0.68 4.17 0.43 -0.68 2.96 -1.26 -0.73 118.68 124.25 1x60 s LEU 41 Ca -0.07 0.20 0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1x60 s LEU 41 Cb -0.16 -3.00 0.01 0.00 0.50 0.00 0.00 46.19 43.54 1x60 s LEU 41 CO 0.02 -0.79 0.61 -1.59 -1.32 0.00 0.00 176.35 173.28 1x60 s LYS 42 N 3.16 2.92 0.00 1.98 0.00 0.24 -4.92 119.74 123.13 1x60 s LYS 42 Ca 0.31 -0.85 -0.18 0.00 0.00 0.00 0.00 55.97 55.25 1x60 s LYS 42 Cb -0.13 -2.66 -0.22 0.00 0.00 0.00 0.00 37.83 34.82 1x60 s LYS 42 CO 0.19 -0.26 1.20 -0.25 0.00 0.00 0.00 175.35 176.23 1x60 n ASP 43 N -1.96 0.42 0.00 0.03 9.92 -1.26 -2.04 116.55 121.66 1x60 n ASP 43 Ca 0.04 -1.98 0.00 0.00 -0.53 0.00 0.00 54.79 52.32 1x60 n ASP 43 Cb 0.58 -0.40 0.00 0.00 -0.64 0.00 0.00 41.12 40.67 1x60 n ASP 43 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1x60 n GLY 44 N 4.41 1.26 3.26 0.44 0.00 -1.26 -5.13 105.19 108.17 1x60 n GLY 44 Ca 0.27 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.19 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 1.24 -0.10 0.99 1.43 -0.87 -4.54 118.68 116.83 1x60 s LEU 45 Ca 0.00 -1.14 0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1x60 s LEU 45 Cb 0.00 0.70 -0.02 0.00 0.03 0.00 0.00 46.19 46.90 1x60 s LEU 45 CO 0.00 -0.84 -0.11 -0.31 0.23 0.00 0.00 176.35 175.31 1x60 s TYR 46 N -4.06 2.83 0.11 0.29 1.51 0.22 0.82 117.35 119.08 1x60 s TYR 46 Ca 0.26 -0.34 0.05 0.00 -1.01 0.00 0.00 57.07 56.04 1x60 s TYR 46 Cb 0.05 -1.77 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 1x60 s TYR 46 CO 0.05 0.02 0.00 0.15 -1.11 0.00 0.00 175.55 174.67 1x60 s LYS 47 N -0.17 2.51 -0.31 -0.62 3.01 0.09 0.13 119.74 124.39 1x60 s LYS 47 Ca 0.01 -0.90 0.02 0.00 -1.01 0.00 0.00 55.97 54.09 1x60 s LYS 47 Cb -0.13 -2.50 0.09 0.00 -1.01 0.00 0.00 37.83 34.28 1x60 s LYS 47 CO 0.03 0.52 0.04 0.08 0.51 0.00 0.00 175.35 176.52 1x60 s VAL 48 N -1.41 1.80 -0.05 3.17 1.01 0.12 -1.74 120.40 123.29 1x60 s VAL 48 Ca 0.26 -1.89 -0.01 0.00 0.00 0.00 0.00 61.98 60.34 1x60 s VAL 48 Cb -0.11 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.97 1x60 s VAL 48 CO 0.18 -0.51 0.01 -1.58 0.00 0.00 0.00 175.10 173.21 1x60 s GLN 49 N 1.17 2.95 -0.07 2.72 0.74 0.14 -1.95 119.66 125.36 1x60 s GLN 49 Ca 0.07 -0.47 -0.00 0.00 0.05 0.00 0.00 55.36 55.01 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 -0.12 0.68 -0.02 0.96 -0.55 0.00 0.00 175.29 176.24 1x60 s ILE 50 N -0.98 0.49 -0.00 -2.34 -5.25 0.31 0.24 121.20 113.67 1x60 s ILE 50 Ca 0.16 0.00 -0.00 0.00 -0.99 0.00 0.00 60.65 59.82 1x60 s ILE 50 Cb -0.11 -0.59 0.00 0.00 2.95 0.00 0.00 42.46 44.70 1x60 s ILE 50 CO 0.06 0.26 0.00 0.61 -1.79 0.00 0.00 174.94 174.08 1x60 n GLY 51 N 4.77 -2.95 3.03 6.27 0.00 -0.68 -3.10 105.19 112.53 1x60 n GLY 51 Ca -0.13 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.02 1.67 0.26 4.61 0.00 -1.26 -0.99 121.76 126.03 1x60 s ALA 52 Ca -0.00 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.24 1x60 s ALA 52 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.22 1x60 s ALA 52 CO 0.01 -0.16 0.23 -0.06 0.00 0.00 0.00 175.76 175.78 1x60 s PHE 53 N 1.14 1.37 -0.58 0.00 0.40 -0.16 -5.00 117.98 115.16 1x60 s PHE 53 Ca -0.03 -1.46 0.24 0.00 -0.60 0.00 0.00 56.93 55.08 1x60 s PHE 53 Cb -0.14 -0.56 0.47 0.00 0.51 0.00 0.00 43.02 43.30 1x60 s PHE 53 CO -0.04 -0.78 1.52 0.77 0.70 0.00 0.00 175.22 177.39 1x60 h SER 54 N 2.37 0.00 -3.36 1.36 0.02 -1.95 -2.15 113.55 109.85 1x60 h SER 54 Ca -0.30 -0.06 -0.66 0.00 -0.84 0.00 0.00 61.79 59.93 1x60 h SER 54 Cb 1.24 0.00 -0.26 0.00 0.14 0.00 0.00 62.40 63.52 1x60 h SER 54 CO 0.44 0.03 -0.76 -0.55 -1.14 0.00 0.00 176.83 174.86 1x60 s SER 55 N -4.95 4.07 0.41 3.07 0.15 -1.26 -4.66 113.70 110.52 1x60 s SER 55 Ca 0.07 -0.30 0.11 0.00 0.70 0.00 0.00 55.95 56.53 1x60 s SER 55 Cb 0.11 -1.58 0.93 0.00 -1.71 0.00 0.00 66.02 63.76 1x60 s SER 55 CO 0.67 0.18 1.97 0.50 1.20 0.00 0.00 173.24 177.76 1x60 h LYS 56 N 6.62 0.52 -0.83 5.44 3.11 -1.89 -0.95 116.57 128.59 1x60 h LYS 56 Ca -0.27 -0.03 0.21 0.00 -2.81 0.00 0.00 60.65 57.75 1x60 h LYS 56 Cb 1.21 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 32.27 1x60 h LYS 56 CO 0.56 0.34 0.57 0.22 -2.81 0.00 0.00 179.45 178.33 1x60 h ASP 57 N 0.53 0.22 -0.06 4.20 3.58 -1.97 0.21 116.42 123.13 1x60 h ASP 57 Ca 0.29 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.74 1x60 h ASP 57 Cb 0.45 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.48 1x60 h ASP 57 CO -0.09 0.09 -0.07 0.78 -2.88 0.00 0.00 179.24 177.07 1x60 h ASN 58 N 0.22 0.16 -0.93 2.28 4.21 -1.55 -2.62 115.58 117.34 1x60 h ASN 58 Ca 0.41 -0.51 -0.01 0.00 1.21 0.00 0.00 56.30 57.40 1x60 h ASN 58 Cb 1.28 -0.04 -0.04 0.00 -1.12 0.00 0.00 38.32 38.39 1x60 h ASN 58 CO -0.09 0.63 0.54 0.00 -1.29 0.00 0.00 177.43 177.22 1x60 h ALA 59 N 0.53 1.19 0.18 -0.83 0.00 -1.19 -2.08 119.26 117.05 1x60 h ALA 59 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1x60 h ALA 59 Cb 0.59 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1x60 h ALA 59 CO 0.02 0.67 -0.09 -0.44 0.00 0.00 0.00 179.25 179.41 1x60 h ASP 60 N 1.29 -0.20 -0.54 0.00 5.19 -1.02 0.29 116.42 121.43 1x60 h ASP 60 Ca 0.33 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.77 1x60 h ASP 60 Cb -0.02 0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.52 1x60 h ASP 60 CO -0.06 -0.14 0.36 0.00 -3.12 0.00 0.00 179.24 176.28 1x60 h THR 61 N -0.25 1.06 0.05 0.35 1.03 -1.29 -1.14 112.91 112.73 1x60 h THR 61 Ca -0.02 -0.21 -0.00 0.00 -0.01 0.00 0.00 66.41 66.16 1x60 h THR 61 Cb 0.19 0.39 0.00 0.00 -1.07 0.00 0.00 68.15 67.67 1x60 h THR 61 CO 0.04 0.11 -0.02 0.25 -0.01 0.00 0.00 175.52 175.89 1x60 h LEU 62 N 0.61 -0.05 0.19 0.00 7.12 -0.96 -2.37 115.31 119.86 1x60 h LEU 62 Ca 0.22 -0.47 0.01 0.00 0.13 0.00 0.00 57.88 57.77 1x60 h LEU 62 Cb 0.10 0.01 -0.04 0.00 -0.53 0.00 0.00 40.66 40.20 1x60 h LEU 62 CO -0.06 0.46 -0.45 0.00 -0.13 0.00 0.00 178.44 178.26 1x60 h ALA 63 N 0.32 -0.85 -0.75 1.25 0.00 0.05 0.12 119.26 119.40 1x60 h ALA 63 Ca -0.01 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 54.92 1x60 h ALA 63 Cb 0.52 0.73 -0.05 0.00 0.00 0.00 0.00 17.79 18.98 1x60 h ALA 63 CO 0.01 -1.04 0.49 0.00 0.00 0.00 0.00 179.25 178.72 1x60 h ALA 64 N -0.34 1.90 -0.69 0.00 0.00 -1.32 0.65 119.26 119.46 1x60 h ALA 64 Ca 0.00 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1x60 h ALA 64 Cb 0.72 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1x60 h ALA 64 CO -0.21 -0.08 0.22 -0.09 0.00 0.00 0.00 179.25 179.09 1x60 h ARG 65 N 0.58 1.07 -0.73 0.00 2.43 -0.68 0.36 114.38 117.42 1x60 h ARG 65 Ca 0.35 -0.23 -0.07 0.00 -0.81 0.00 0.00 59.98 59.23 1x60 h ARG 65 Cb 0.58 -0.16 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1x60 h ARG 65 CO -0.13 0.92 0.20 0.00 -1.51 0.00 0.00 179.97 179.45 1x60 h ALA 66 N 1.10 0.96 -0.25 2.80 0.00 0.14 0.73 119.26 124.73 1x60 h ALA 66 Ca 0.22 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1x60 h ALA 66 Cb 0.29 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1x60 h ALA 66 CO -0.01 0.67 0.13 0.87 0.00 0.00 0.00 179.25 180.91 1x60 h LYS 67 N 1.10 0.35 0.00 0.00 1.79 0.15 1.26 116.57 121.21 1x60 h LYS 67 Ca 0.23 -0.04 -0.06 0.00 -2.18 0.00 0.00 60.65 58.60 1x60 h LYS 67 Cb 0.35 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 30.92 1x60 h LYS 67 CO -0.00 0.32 -0.27 -0.97 -1.08 0.00 0.00 179.45 177.44 1x60 h ASN 68 N 0.29 0.00 1.51 0.86 -1.24 -0.58 -2.36 115.58 114.05 1x60 h ASN 68 Ca 0.09 0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.06 1x60 h ASN 68 Cb 0.07 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.12 1x60 h ASN 68 CO -0.01 0.27 -0.16 0.00 -1.29 0.00 0.00 177.43 176.24 1x60 h ALA 69 N 1.73 0.93 0.00 1.57 0.00 0.15 -3.47 119.26 120.17 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 0.64 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.41 1x60 h ALA 69 CO 0.04 0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.90 1x60 n GLY 70 N 0.76 1.72 3.16 0.00 0.00 0.34 -5.04 105.19 106.13 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 1.21 -1.21 1.61 0.08 0.41 -4.98 117.98 113.10 1x60 s PHE 71 Ca 0.00 -0.43 -0.10 0.00 0.12 0.00 0.00 56.93 56.52 1x60 s PHE 71 Cb 0.00 -0.69 0.20 0.00 -0.57 0.00 0.00 43.02 41.96 1x60 s PHE 71 CO 0.00 0.05 1.59 -3.47 -0.10 0.00 0.00 175.22 173.29 1x60 n ASP 72 N 1.43 5.37 -4.81 1.36 -0.08 -1.26 -1.33 116.55 117.22 1x60 n ASP 72 Ca -0.20 -3.10 -0.37 0.00 -1.51 0.00 0.00 54.79 49.61 1x60 n ASP 72 Cb 0.54 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.47 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 0.19 3.47 0.13 -1.67 0.00 -1.26 -4.06 121.76 118.57 1x60 s ALA 73 Ca 0.39 0.12 0.01 0.00 0.00 0.00 0.00 51.96 52.48 1x60 s ALA 73 Cb 0.02 -2.76 -0.04 0.00 0.00 0.00 0.00 23.12 20.34 1x60 s ALA 73 CO 0.01 0.36 -0.01 0.96 0.00 0.00 0.00 175.76 177.07 1x60 s ILE 74 N -1.39 0.54 -0.09 0.00 -5.25 0.13 -4.62 121.20 110.53 1x60 s ILE 74 Ca 0.39 -1.94 0.01 0.00 -0.99 0.00 0.00 60.65 58.11 1x60 s ILE 74 Cb -0.18 -1.93 -0.03 0.00 2.95 0.00 0.00 42.46 43.27 1x60 s ILE 74 CO 0.21 -0.63 -0.09 -0.69 -1.79 0.00 0.00 174.94 171.95 1x60 s VAL 75 N -3.74 3.50 -0.01 8.37 1.01 -1.26 0.60 120.40 128.86 1x60 s VAL 75 Ca 0.19 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1x60 s VAL 75 Cb 0.06 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 34.00 1x60 s VAL 75 CO -0.00 0.57 0.03 -0.51 0.00 0.00 0.00 175.10 175.19 1x60 s ILE 76 N -0.42 0.00 -0.29 2.22 2.07 -0.48 -4.99 121.20 119.31 1x60 s ILE 76 Ca 0.06 -0.00 -0.21 0.00 -1.41 0.00 0.00 60.65 59.09 1x60 s ILE 76 Cb -0.12 -0.05 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 1x60 s ILE 76 CO 0.02 -0.00 0.66 -0.22 -1.91 0.00 0.00 174.94 173.49 1x60 s LEU 77 N 0.01 4.12 -0.63 8.50 2.96 -1.26 -2.43 118.68 129.95 1x60 s LEU 77 Ca -0.00 0.52 -0.22 0.00 -0.22 0.00 0.00 54.13 54.21 1x60 s LEU 77 Cb -0.00 -2.87 0.07 0.00 0.50 0.00 0.00 46.19 43.89 1x60 s LEU 77 CO 0.00 -0.48 0.93 -1.61 -1.32 0.00 0.00 176.35 173.87 1x60 s GLU 78 N 2.65 3.14 0.00 1.98 0.41 0.88 -4.82 118.70 122.94 1x60 s GLU 78 Ca 0.27 -0.78 0.24 0.00 -0.41 0.00 0.00 54.97 54.29 1x60 s GLU 78 Cb -0.15 -4.20 0.28 0.00 -1.78 0.00 0.00 34.13 28.28 1x60 s GLU 78 CO 0.11 -1.73 1.31 0.43 -0.49 0.00 0.00 175.26 174.89