#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 4.21 0.00 3.23 -0.14 -1.26 -4.82 119.74 120.95 1x60 s LYS 2 Ca 0.00 2.05 0.00 0.00 -1.36 0.00 0.00 55.97 56.66 1x60 s LYS 2 Cb 0.00 -3.86 0.00 0.00 -1.68 0.00 0.00 37.83 32.29 1x60 s LYS 2 CO 0.00 -0.77 0.00 1.63 -0.76 0.00 0.00 175.35 175.45 1x60 n LYS 3 N 6.70 0.00 -0.03 1.68 5.02 -1.26 -4.94 118.16 125.32 1x60 n LYS 3 Ca 0.16 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.43 1x60 n LYS 3 Cb 0.43 -0.60 -0.01 0.00 -0.02 0.00 0.00 35.03 34.84 1x60 n LYS 3 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1x60 h THR 4 N 0.00 0.00 -2.83 -0.18 1.35 -2.10 -3.49 112.91 105.66 1x60 h THR 4 Ca 0.00 -0.55 -0.13 0.00 -0.55 0.00 0.00 66.41 65.19 1x60 h THR 4 Cb 0.70 0.00 -0.23 0.00 -1.73 0.00 0.00 68.15 66.88 1x60 h THR 4 CO 0.00 0.00 -0.26 -0.44 -0.25 0.00 0.00 175.52 174.57 1x60 s SER 5 N -4.61 -0.37 -0.16 5.36 0.01 -1.26 -5.06 113.70 107.62 1x60 s SER 5 Ca -0.05 0.64 0.02 0.00 1.31 0.00 0.00 55.95 57.87 1x60 s SER 5 Cb 0.01 0.69 -0.11 0.00 0.21 0.00 0.00 66.02 66.82 1x60 s SER 5 CO 0.08 -0.20 -0.13 -1.54 0.41 0.00 0.00 173.24 171.85 1x60 n SER 6 N 2.53 2.74 -1.68 2.44 3.41 -1.26 -4.96 113.62 116.84 1x60 n SER 6 Ca -0.15 -0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.38 1x60 n SER 6 Cb 0.57 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1x60 n SER 6 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1x60 n SER 7 N -2.94 -8.25 -2.50 4.04 2.88 -1.26 -5.01 113.62 100.57 1x60 n SER 7 Ca -0.28 1.16 -0.07 0.00 -1.33 0.00 0.00 58.87 58.35 1x60 n SER 7 Cb 0.80 -4.28 0.05 0.00 -0.75 0.00 0.00 64.21 60.04 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 0.78 -1.34 3.00 0.46 0.00 -1.26 -4.78 105.19 102.06 1x60 n GLY 8 Ca 0.00 -1.66 -0.12 0.00 0.00 0.00 0.00 46.02 44.24 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 1.57 -0.44 0.99 2.01 -0.25 -4.90 118.68 117.65 1x60 s LEU 9 Ca 0.19 0.19 -0.14 0.00 0.01 0.00 0.00 54.13 54.38 1x60 s LEU 9 Cb -0.01 0.42 0.06 0.00 0.01 0.00 0.00 46.19 46.67 1x60 s LEU 9 CO 0.13 -0.07 0.34 -0.31 1.01 0.00 0.00 176.35 177.45 1x60 s TYR 10 N -0.09 3.26 0.14 0.29 2.02 -0.82 -1.50 117.35 120.65 1x60 s TYR 10 Ca -0.02 -0.99 0.08 0.00 -0.37 0.00 0.00 57.07 55.78 1x60 s TYR 10 Cb -0.02 -2.97 -0.04 0.00 -0.40 0.00 0.00 41.96 38.53 1x60 s TYR 10 CO 0.00 -0.76 -0.19 0.15 -1.57 0.00 0.00 175.55 173.19 1x60 s LYS 11 N 1.60 1.18 -0.12 -0.62 1.02 -1.03 -1.01 119.74 120.77 1x60 s LYS 11 Ca 0.04 -1.29 -0.04 0.00 0.02 0.00 0.00 55.97 54.70 1x60 s LYS 11 Cb -0.23 -1.29 -0.03 0.00 -0.52 0.00 0.00 37.83 35.76 1x60 s LYS 11 CO 0.06 0.28 0.02 0.08 -0.92 0.00 0.00 175.35 174.87 1x60 s VAL 12 N -1.73 4.47 -0.04 3.17 1.01 0.06 -1.48 120.40 125.88 1x60 s VAL 12 Ca 0.11 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 61.95 1x60 s VAL 12 Cb -0.07 -2.92 0.00 0.00 0.00 0.00 0.00 36.38 33.39 1x60 s VAL 12 CO 0.05 0.56 -0.12 -1.58 0.00 0.00 0.00 175.10 174.02 1x60 s GLN 13 N -0.48 1.33 0.00 2.72 0.74 0.19 0.13 119.66 124.29 1x60 s GLN 13 Ca 0.09 -0.42 0.15 0.00 0.05 0.00 0.00 55.36 55.24 1x60 s GLN 13 Cb -0.12 -1.19 -0.05 0.00 1.10 0.00 0.00 33.01 32.76 1x60 s GLN 13 CO 0.02 0.14 0.78 0.44 -0.55 0.00 0.00 175.29 176.13 1x60 n ILE 14 N 3.32 0.00 0.00 -2.34 -0.00 -0.84 0.44 119.36 119.94 1x60 n ILE 14 Ca -0.19 -0.29 0.00 0.00 -0.00 0.00 0.00 62.75 62.28 1x60 n ILE 14 Cb 0.53 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 1.19 1.05 3.29 3.28 0.00 -1.23 -4.48 105.19 108.29 1x60 n GLY 15 Ca 0.05 -1.15 -0.12 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.01 121.76 122.10 1x60 s ALA 16 Ca 0.00 1.22 -0.09 0.00 0.00 0.00 0.00 51.96 53.09 1x60 s ALA 16 Cb 0.00 -0.72 0.01 0.00 0.00 0.00 0.00 23.12 22.41 1x60 s ALA 16 CO 0.00 -0.21 0.19 -0.06 0.00 0.00 0.00 175.76 175.68 1x60 s PHE 17 N 0.51 -0.04 -0.21 0.00 0.40 0.56 -4.90 117.98 114.29 1x60 s PHE 17 Ca -0.02 0.02 0.21 0.00 -0.60 0.00 0.00 56.93 56.54 1x60 s PHE 17 Cb -0.04 0.00 1.12 0.00 0.51 0.00 0.00 43.02 44.61 1x60 s PHE 17 CO -0.03 -0.31 1.63 1.17 0.70 0.00 0.00 175.22 178.39 1x60 n LYS 18 N 1.49 0.13 -4.29 0.44 4.81 -1.26 0.77 118.16 120.24 1x60 n LYS 18 Ca -0.22 0.63 -0.34 0.00 -0.87 0.00 0.00 58.31 57.52 1x60 n LYS 18 Cb 0.56 -1.95 -0.11 0.00 0.02 0.00 0.00 35.03 33.54 1x60 n LYS 18 CO 0.00 0.00 0.00 0.08 1.17 0.00 0.00 177.40 178.65 1x60 s VAL 19 N -3.53 4.15 0.11 3.15 1.01 -1.26 -4.57 120.40 119.46 1x60 s VAL 19 Ca -0.02 -0.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.56 1x60 s VAL 19 Cb 0.06 -2.83 -0.12 0.00 0.00 0.00 0.00 36.38 33.48 1x60 s VAL 19 CO 0.19 0.49 1.35 0.50 0.00 0.00 0.00 175.10 177.63 1x60 h LYS 20 N 6.64 0.80 -0.79 2.72 3.11 -1.94 -2.50 116.57 124.61 1x60 h LYS 20 Ca -0.33 -0.57 0.17 0.00 -2.81 0.00 0.00 60.65 57.10 1x60 h LYS 20 Cb 1.18 0.09 -0.05 0.00 -1.00 0.00 0.00 32.23 32.45 1x60 h LYS 20 CO 0.65 1.19 0.53 0.00 -2.81 0.00 0.00 179.45 179.01 1x60 h ALA 21 N 0.61 2.17 -0.01 5.00 0.00 -1.96 0.77 119.26 125.84 1x60 h ALA 21 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.71 1x60 h ALA 21 Cb 1.23 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1x60 h ALA 21 CO 0.13 -0.40 -0.82 -0.91 0.00 0.00 0.00 179.25 177.25 1x60 h ASN 22 N 0.39 0.25 1.33 0.00 4.21 -1.92 -2.61 115.58 117.22 1x60 h ASN 22 Ca 0.40 -0.19 -0.00 0.00 1.21 0.00 0.00 56.30 57.71 1x60 h ASN 22 Cb 0.96 -0.08 -0.00 0.00 -1.12 0.00 0.00 38.32 38.09 1x60 h ASN 22 CO -0.13 0.97 -0.01 0.00 -1.29 0.00 0.00 177.43 176.97 1x60 h ALA 23 N 1.02 1.00 0.18 -0.83 0.00 0.80 -2.60 119.26 118.83 1x60 h ALA 23 Ca -0.04 -0.01 -0.33 0.00 0.00 0.00 0.00 54.91 54.53 1x60 h ALA 23 Cb 1.43 -0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.23 1x60 h ALA 23 CO 0.13 0.02 -1.59 0.22 0.00 0.00 0.00 179.25 178.02 1x60 h ASP 24 N 0.00 0.61 -0.41 0.00 1.82 -0.25 -2.69 116.42 115.49 1x60 h ASP 24 Ca -0.00 -0.79 -0.10 0.00 -0.39 0.00 0.00 57.03 55.75 1x60 h ASP 24 Cb 0.68 -0.20 -0.02 0.00 0.68 0.00 0.00 39.33 40.47 1x60 h ASP 24 CO 0.00 1.65 -0.12 -1.28 -1.61 0.00 0.00 179.24 177.88 1x60 h SER 25 N 0.11 0.87 0.08 2.28 0.87 -1.41 -1.63 113.55 114.71 1x60 h SER 25 Ca -0.28 -0.28 -0.00 0.00 -1.23 0.00 0.00 61.79 60.00 1x60 h SER 25 Cb 2.09 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.82 1x60 h SER 25 CO 0.20 1.00 -0.04 0.25 -0.53 0.00 0.00 176.83 177.71 1x60 h LEU 26 N 0.78 -0.09 -2.44 2.23 5.85 -1.56 -2.42 115.31 117.66 1x60 h LEU 26 Ca 0.13 -0.23 0.01 0.00 0.84 0.00 0.00 57.88 58.63 1x60 h LEU 26 Cb 0.64 0.02 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 1x60 h LEU 26 CO 0.04 0.18 0.06 0.00 -0.34 0.00 0.00 178.44 178.39 1x60 h ALA 27 N 0.51 1.56 -0.26 1.25 0.00 -1.38 -1.04 119.26 119.89 1x60 h ALA 27 Ca -0.01 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.75 1x60 h ALA 27 Cb 0.32 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1x60 h ALA 27 CO 0.02 -0.09 -0.39 1.03 0.00 0.00 0.00 179.25 179.82 1x60 h SER 28 N 0.00 0.80 -0.33 0.00 0.87 -0.84 -2.58 113.55 111.47 1x60 h SER 28 Ca 0.02 -0.51 0.01 0.00 -1.23 0.00 0.00 61.79 60.08 1x60 h SER 28 Cb 0.15 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1x60 h SER 28 CO -0.00 1.16 0.20 -0.55 -0.53 0.00 0.00 176.83 177.11 1x60 h ASN 29 N 0.47 0.32 -0.76 6.23 7.08 -0.75 -2.29 115.58 125.88 1x60 h ASN 29 Ca 0.03 0.00 0.04 0.00 -3.08 0.00 0.00 56.30 53.28 1x60 h ASN 29 Cb 0.98 -0.07 -0.05 0.00 -2.08 0.00 0.00 38.32 37.11 1x60 h ASN 29 CO 0.09 0.24 0.48 0.00 -2.08 0.00 0.00 177.43 176.16 1x60 h ALA 30 N 1.14 1.01 -0.86 4.14 0.00 -1.50 -1.35 119.26 121.85 1x60 h ALA 30 Ca 0.13 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1x60 h ALA 30 Cb -0.01 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.48 1x60 h ALA 30 CO -0.06 0.26 0.56 1.49 0.00 0.00 0.00 179.25 181.50 1x60 h GLU 31 N 0.92 0.74 -0.27 0.00 4.81 -1.00 -1.47 114.58 118.31 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 0.04 -0.17 -0.07 0.00 0.63 0.00 0.00 28.75 29.19 1x60 h GLU 31 CO -0.12 0.49 -0.16 0.00 -0.73 0.00 0.00 179.01 178.49 1x60 h ALA 32 N 1.58 0.04 0.00 2.92 0.00 -0.80 0.32 119.26 123.34 1x60 h ALA 32 Ca 0.41 0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.39 1x60 h ALA 32 Cb 0.53 0.37 -0.00 0.00 0.00 0.00 0.00 17.79 18.69 1x60 h ALA 32 CO -0.18 -0.56 -0.14 0.87 0.00 0.00 0.00 179.25 179.24 1x60 h LYS 33 N -0.13 0.00 0.00 0.00 1.79 -1.29 -3.46 116.57 113.48 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 0.36 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.01 1x60 h LYS 33 CO -0.36 0.14 0.00 0.41 -1.08 0.00 0.00 179.45 178.57 1x60 n GLY 34 N -1.04 1.67 3.92 3.86 0.00 0.11 -5.13 105.19 108.59 1x60 n GLY 34 Ca -0.02 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 -0.06 -0.20 0.00 0.12 0.00 0.00 56.93 56.79 1x60 s PHE 35 Cb 0.00 -1.52 0.10 0.00 -0.57 0.00 0.00 43.02 41.03 1x60 s PHE 35 CO 0.00 0.46 1.04 0.34 -0.10 0.00 0.00 175.22 176.96 1x60 s ASP 36 N -3.94 6.41 0.56 1.36 2.15 -1.26 -4.00 116.67 117.96 1x60 s ASP 36 Ca 0.34 -1.56 -0.13 0.00 0.43 0.00 0.00 52.55 51.63 1x60 s ASP 36 Cb -0.09 -2.41 -0.06 0.00 -0.30 0.00 0.00 42.92 40.07 1x60 s ASP 36 CO 0.28 -1.24 0.99 -0.44 -0.17 0.00 0.00 175.17 174.59 1x60 s SER 37 N 3.70 6.40 -0.24 -0.34 0.01 -1.26 -2.50 113.70 119.48 1x60 s SER 37 Ca 0.27 1.45 -0.22 0.00 1.31 0.00 0.00 55.95 58.76 1x60 s SER 37 Cb -0.11 -2.47 0.06 0.00 0.21 0.00 0.00 66.02 63.72 1x60 s SER 37 CO -0.01 -0.72 0.64 -0.51 0.41 0.00 0.00 173.24 173.05 1x60 s ILE 38 N -2.90 0.00 -0.27 1.44 2.07 0.52 -4.95 121.20 117.10 1x60 s ILE 38 Ca 0.56 -0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.78 1x60 s ILE 38 Cb -0.10 -0.89 0.04 0.00 0.13 0.00 0.00 42.46 41.64 1x60 s ILE 38 CO 0.44 -0.00 -0.03 -0.69 -1.91 0.00 0.00 174.94 172.74 1x60 s VAL 39 N 0.31 2.91 -0.24 4.00 1.01 -1.25 -0.95 120.40 126.18 1x60 s VAL 39 Ca -0.00 -1.22 -0.08 0.00 0.00 0.00 0.00 61.98 60.68 1x60 s VAL 39 Cb -0.04 -2.58 -0.03 0.00 0.00 0.00 0.00 36.38 33.72 1x60 s VAL 39 CO 0.01 0.04 0.09 -0.22 0.00 0.00 0.00 175.10 175.02 1x60 s LEU 40 N 1.28 3.60 -0.46 3.92 2.96 -0.72 -4.90 118.68 124.36 1x60 s LEU 40 Ca -0.03 -0.13 -0.26 0.00 -0.22 0.00 0.00 54.13 53.50 1x60 s LEU 40 Cb -0.18 -1.96 0.03 0.00 0.50 0.00 0.00 46.19 44.57 1x60 s LEU 40 CO -0.03 -0.00 0.95 -0.22 -1.32 0.00 0.00 176.35 175.73 1x60 s LEU 41 N 1.44 3.96 0.47 -0.68 2.96 -1.26 -1.55 118.68 124.01 1x60 s LEU 41 Ca 0.06 0.18 0.01 0.00 -0.22 0.00 0.00 54.13 54.16 1x60 s LEU 41 Cb -0.15 -3.24 0.01 0.00 0.50 0.00 0.00 46.19 43.31 1x60 s LEU 41 CO 0.05 -1.06 0.68 -1.59 -1.32 0.00 0.00 176.35 173.10 1x60 s LYS 42 N 3.82 2.91 0.00 1.98 0.00 0.30 -4.91 119.74 123.83 1x60 s LYS 42 Ca 0.38 -0.64 -0.11 0.00 0.00 0.00 0.00 55.97 55.60 1x60 s LYS 42 Cb -0.10 -2.56 -0.13 0.00 0.00 0.00 0.00 37.83 35.03 1x60 s LYS 42 CO 0.26 -0.37 1.10 -3.47 0.00 0.00 0.00 175.35 172.87 1x60 n ASP 43 N -2.11 0.29 0.00 0.03 -0.08 -1.26 -1.99 116.55 111.43 1x60 n ASP 43 Ca 0.03 -1.97 0.00 0.00 -1.51 0.00 0.00 54.79 51.35 1x60 n ASP 43 Cb 0.58 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.61 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 4.20 1.12 3.10 0.27 0.00 -1.26 -5.13 105.19 107.49 1x60 n GLY 44 Ca 0.16 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.08 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 1.73 -0.11 0.99 1.43 -0.84 -4.54 118.68 117.34 1x60 s LEU 45 Ca 0.00 -0.40 -0.01 0.00 -1.03 0.00 0.00 54.13 52.69 1x60 s LEU 45 Cb 0.00 0.60 -0.03 0.00 0.03 0.00 0.00 46.19 46.79 1x60 s LEU 45 CO 0.00 -0.44 -0.07 -0.31 0.23 0.00 0.00 176.35 175.76 1x60 s TYR 46 N -2.05 2.93 0.21 0.29 1.51 0.23 0.11 117.35 120.58 1x60 s TYR 46 Ca -0.10 -0.21 0.10 0.00 -1.01 0.00 0.00 57.07 55.85 1x60 s TYR 46 Cb -0.04 -1.81 -0.04 0.00 -0.11 0.00 0.00 41.96 39.95 1x60 s TYR 46 CO -0.02 0.10 -0.16 0.15 -1.11 0.00 0.00 175.55 174.51 1x60 s LYS 47 N -0.21 1.81 -0.24 -0.62 3.01 -0.60 0.21 119.74 123.11 1x60 s LYS 47 Ca 0.02 -1.45 0.01 0.00 -1.01 0.00 0.00 55.97 53.54 1x60 s LYS 47 Cb -0.13 -1.98 0.06 0.00 -1.01 0.00 0.00 37.83 34.77 1x60 s LYS 47 CO 0.03 0.40 -0.06 0.08 0.51 0.00 0.00 175.35 176.31 1x60 s VAL 48 N -1.85 1.58 -0.04 3.17 1.01 0.99 -1.76 120.40 123.51 1x60 s VAL 48 Ca 0.24 -1.26 0.02 0.00 0.00 0.00 0.00 61.98 60.98 1x60 s VAL 48 Cb -0.08 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 1x60 s VAL 48 CO 0.13 -0.10 -0.06 -1.58 0.00 0.00 0.00 175.10 173.50 1x60 s GLN 49 N 1.37 2.70 -0.06 2.72 0.74 -0.12 -1.98 119.66 125.02 1x60 s GLN 49 Ca -0.06 -0.61 -0.01 0.00 0.05 0.00 0.00 55.36 54.73 1x60 s GLN 49 Cb -0.19 -2.58 0.03 0.00 1.10 0.00 0.00 33.01 31.37 1x60 s GLN 49 CO -0.06 0.64 -0.00 0.96 -0.55 0.00 0.00 175.29 176.28 1x60 s ILE 50 N -0.91 0.35 0.00 -2.34 -5.25 0.35 -0.35 121.20 113.04 1x60 s ILE 50 Ca 0.15 0.09 0.00 0.00 -0.99 0.00 0.00 60.65 59.90 1x60 s ILE 50 Cb -0.11 -0.49 0.00 0.00 2.95 0.00 0.00 42.46 44.81 1x60 s ILE 50 CO 0.05 0.24 0.00 0.61 -1.79 0.00 0.00 174.94 174.04 1x60 n GLY 51 N 4.85 -2.70 2.89 6.27 0.00 -1.04 -3.08 105.19 112.39 1x60 n GLY 51 Ca -0.12 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.10 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 1.59 0.33 4.61 0.00 -1.26 -0.76 121.76 126.27 1x60 s ALA 52 Ca 0.00 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.01 1x60 s ALA 52 Cb 0.00 -1.22 -0.04 0.00 0.00 0.00 0.00 23.12 21.86 1x60 s ALA 52 CO 0.00 -0.93 0.11 -0.06 0.00 0.00 0.00 175.76 174.88 1x60 s PHE 53 N 1.58 1.72 -0.61 0.00 0.40 -0.18 -4.99 117.98 115.91 1x60 s PHE 53 Ca -0.01 -1.21 0.25 0.00 -0.60 0.00 0.00 56.93 55.35 1x60 s PHE 53 Cb -0.16 -1.05 0.51 0.00 0.51 0.00 0.00 43.02 42.83 1x60 s PHE 53 CO -0.07 -0.30 1.55 1.03 0.70 0.00 0.00 175.22 178.12 1x60 h SER 54 N 2.11 0.00 -3.32 1.36 0.87 -1.95 -2.17 113.55 110.45 1x60 h SER 54 Ca -0.37 -0.06 -0.65 0.00 -1.23 0.00 0.00 61.79 59.48 1x60 h SER 54 Cb 1.25 0.00 -0.26 0.00 -0.44 0.00 0.00 62.40 62.96 1x60 h SER 54 CO 0.59 0.03 -0.74 -0.44 -0.53 0.00 0.00 176.83 175.74 1x60 s SER 55 N -4.83 4.19 0.39 6.23 0.01 -1.26 -4.67 113.70 113.76 1x60 s SER 55 Ca 0.08 -0.29 0.10 0.00 1.31 0.00 0.00 55.95 57.15 1x60 s SER 55 Cb 0.11 -1.65 0.89 0.00 0.21 0.00 0.00 66.02 65.57 1x60 s SER 55 CO 0.66 0.16 1.94 0.50 0.41 0.00 0.00 173.24 176.91 1x60 h LYS 56 N 6.77 0.57 -0.85 12.44 3.11 -1.89 -0.86 116.57 135.86 1x60 h LYS 56 Ca -0.28 -0.03 0.22 0.00 -2.81 0.00 0.00 60.65 57.75 1x60 h LYS 56 Cb 1.21 -0.13 -0.05 0.00 -1.00 0.00 0.00 32.23 32.26 1x60 h LYS 56 CO 0.57 0.38 0.59 0.22 -2.81 0.00 0.00 179.45 178.41 1x60 h ASP 57 N 0.59 0.18 -0.01 4.20 1.82 -1.98 -0.08 116.42 121.15 1x60 h ASP 57 Ca 0.33 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1x60 h ASP 57 Cb 0.51 -0.01 -0.00 0.00 0.68 0.00 0.00 39.33 40.51 1x60 h ASP 57 CO -0.12 0.07 -0.01 0.78 -1.61 0.00 0.00 179.24 178.36 1x60 h ASN 58 N 0.18 0.02 -0.89 2.28 4.21 -1.54 -2.58 115.58 117.26 1x60 h ASN 58 Ca 0.42 -0.52 0.02 0.00 1.21 0.00 0.00 56.30 57.44 1x60 h ASN 58 Cb 1.39 -0.00 -0.05 0.00 -1.12 0.00 0.00 38.32 38.53 1x60 h ASN 58 CO -0.08 0.53 0.58 0.00 -1.29 0.00 0.00 177.43 177.17 1x60 h ALA 59 N 0.49 1.15 0.09 -0.83 0.00 -1.19 -1.48 119.26 117.49 1x60 h ALA 59 Ca 0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 59 Cb 0.53 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1x60 h ALA 59 CO 0.00 0.47 -0.04 -0.44 0.00 0.00 0.00 179.25 179.24 1x60 h ASP 60 N 1.16 -0.10 -0.73 0.00 5.19 -1.10 0.29 116.42 121.14 1x60 h ASP 60 Ca 0.34 -0.01 0.03 0.00 -0.62 0.00 0.00 57.03 56.77 1x60 h ASP 60 Cb -0.06 0.03 -0.04 0.00 0.18 0.00 0.00 39.33 39.43 1x60 h ASP 60 CO -0.10 -0.06 0.48 0.74 -3.12 0.00 0.00 179.24 177.18 1x60 h THR 61 N -0.13 1.12 0.08 0.35 2.02 -1.17 -0.53 112.91 114.65 1x60 h THR 61 Ca -0.01 -0.31 -0.00 0.00 0.77 0.00 0.00 66.41 66.86 1x60 h THR 61 Cb 0.10 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.65 1x60 h THR 61 CO 0.02 0.16 -0.04 0.25 0.37 0.00 0.00 175.52 176.28 1x60 h LEU 62 N 0.90 -0.09 0.46 2.58 7.12 -0.87 -2.46 115.31 122.95 1x60 h LEU 62 Ca 0.29 -0.38 -0.01 0.00 0.13 0.00 0.00 57.88 57.91 1x60 h LEU 62 Cb 0.03 0.02 -0.02 0.00 -0.53 0.00 0.00 40.66 40.16 1x60 h LEU 62 CO -0.08 0.34 -0.50 0.00 -0.13 0.00 0.00 178.44 178.07 1x60 h ALA 63 N 0.31 -1.14 -0.98 1.25 0.00 -0.03 0.15 119.26 118.81 1x60 h ALA 63 Ca -0.01 -0.18 0.22 0.00 0.00 0.00 0.00 54.91 54.94 1x60 h ALA 63 Cb 0.46 0.74 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 1x60 h ALA 63 CO 0.02 -1.18 0.63 0.00 0.00 0.00 0.00 179.25 178.72 1x60 h ALA 64 N -0.89 2.04 -0.62 0.00 0.00 -1.21 0.52 119.26 119.10 1x60 h ALA 64 Ca -0.06 0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1x60 h ALA 64 Cb 0.85 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1x60 h ALA 64 CO -0.08 -0.39 0.06 -0.09 0.00 0.00 0.00 179.25 178.74 1x60 h ARG 65 N 0.52 1.04 -0.57 0.00 2.43 -0.81 -0.23 114.38 116.75 1x60 h ARG 65 Ca 0.54 -0.29 -0.06 0.00 -0.81 0.00 0.00 59.98 59.36 1x60 h ARG 65 Cb 1.19 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.60 1x60 h ARG 65 CO -0.28 0.98 0.13 0.00 -1.51 0.00 0.00 179.97 179.29 1x60 h ALA 66 N 1.09 0.76 -0.30 2.80 0.00 0.27 0.88 119.26 124.76 1x60 h ALA 66 Ca 0.19 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1x60 h ALA 66 Cb 0.47 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1x60 h ALA 66 CO 0.02 0.47 0.17 0.87 0.00 0.00 0.00 179.25 180.78 1x60 h LYS 67 N 0.83 0.43 0.00 0.00 1.57 0.07 1.25 116.57 120.72 1x60 h LYS 67 Ca 0.18 -0.05 -0.06 0.00 -1.87 0.00 0.00 60.65 58.85 1x60 h LYS 67 Cb 0.36 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 1x60 h LYS 67 CO 0.00 0.36 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.01 1x60 h ASN 68 N 0.37 0.00 1.47 0.86 -0.73 -0.76 -2.46 115.58 114.33 1x60 h ASN 68 Ca 0.11 0.00 -0.05 0.00 1.87 0.00 0.00 56.30 58.23 1x60 h ASN 68 Cb 0.06 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.64 1x60 h ASN 68 CO -0.02 0.27 -0.23 0.00 -0.37 0.00 0.00 177.43 177.08 1x60 h ALA 69 N 1.73 0.89 0.00 1.57 0.00 0.19 -3.47 119.26 120.18 1x60 h ALA 69 Ca -0.00 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1x60 h ALA 69 Cb 0.69 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.45 1x60 h ALA 69 CO 0.03 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.98 1x60 n GLY 70 N 0.81 1.75 3.16 0.00 0.00 0.48 -5.04 105.19 106.35 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 1.21 -1.22 1.61 0.08 0.40 -4.98 117.98 113.08 1x60 s PHE 71 Ca 0.00 -0.42 -0.09 0.00 0.12 0.00 0.00 56.93 56.54 1x60 s PHE 71 Cb 0.00 -0.70 0.20 0.00 -0.57 0.00 0.00 43.02 41.95 1x60 s PHE 71 CO 0.00 0.05 1.68 -3.47 -0.10 0.00 0.00 175.22 173.38 1x60 n ASP 72 N 1.53 5.39 -4.79 1.36 2.03 -1.26 -1.54 116.55 119.26 1x60 n ASP 72 Ca -0.20 -3.14 -0.38 0.00 0.52 0.00 0.00 54.79 51.59 1x60 n ASP 72 Cb 0.54 -1.45 -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 -0.09 3.44 0.07 -1.67 0.00 -1.26 -4.07 121.76 118.19 1x60 s ALA 73 Ca 0.38 0.29 0.03 0.00 0.00 0.00 0.00 51.96 52.66 1x60 s ALA 73 Cb 0.05 -2.90 -0.03 0.00 0.00 0.00 0.00 23.12 20.24 1x60 s ALA 73 CO 0.02 0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.94 1x60 s ILE 74 N -1.27 0.83 -0.13 0.00 -4.36 0.17 -4.70 121.20 111.74 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 -0.21 -1.03 -0.04 0.00 1.25 0.00 0.00 42.46 42.43 1x60 s ILE 74 CO 0.24 -0.42 0.07 -0.69 0.24 0.00 0.00 174.94 174.38 1x60 s VAL 75 N -1.81 4.89 0.00 8.37 1.01 -1.26 0.55 120.40 132.16 1x60 s VAL 75 Ca -0.02 -0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.95 1x60 s VAL 75 Cb -0.07 -3.14 -0.00 0.00 0.00 0.00 0.00 36.38 33.17 1x60 s VAL 75 CO 0.01 0.56 -0.02 -0.51 0.00 0.00 0.00 175.10 175.13 1x60 s ILE 76 N -0.46 0.14 -0.49 2.22 2.07 -0.55 -4.99 121.20 119.14 1x60 s ILE 76 Ca 0.10 -0.14 -0.16 0.00 -1.41 0.00 0.00 60.65 59.04 1x60 s ILE 76 Cb -0.12 -0.13 0.08 0.00 0.13 0.00 0.00 42.46 42.42 1x60 s ILE 76 CO 0.02 -0.00 0.44 -0.22 -1.91 0.00 0.00 174.94 173.27 1x60 s LEU 77 N -0.15 5.68 -0.35 8.50 2.96 -1.25 -2.45 118.68 131.62 1x60 s LEU 77 Ca -0.01 -1.39 -0.18 0.00 -0.22 0.00 0.00 54.13 52.33 1x60 s LEU 77 Cb -0.01 -2.21 -0.00 0.00 0.50 0.00 0.00 46.19 44.46 1x60 s LEU 77 CO -0.00 -0.72 0.53 -1.61 -1.32 0.00 0.00 176.35 173.23 1x60 s GLU 78 N 1.74 3.65 0.00 1.98 2.02 -0.56 -4.77 118.70 122.76 1x60 s GLU 78 Ca 0.05 -0.10 0.07 0.00 0.02 0.00 0.00 54.97 55.01 1x60 s GLU 78 Cb -0.25 -3.80 0.06 0.00 0.10 0.00 0.00 34.13 30.24 1x60 s GLU 78 CO 0.06 -0.64 0.72 0.43 0.02 0.00 0.00 175.26 175.85