#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sku n LEU 7 N 0.00 -1.24 -2.46 3.14 -0.00 -1.26 -5.11 117.00 110.08 1sku n LEU 7 Ca 0.00 0.27 -0.03 0.00 -0.00 0.00 0.00 56.01 56.25 1sku n LEU 7 Cb 0.00 1.48 0.00 0.00 -0.00 0.00 0.00 43.42 44.91 1sku n LEU 7 CO 0.00 -0.24 -0.13 1.67 -0.00 0.00 0.00 177.39 178.69 1sku n GLN 8 N -2.76 -2.13 -2.07 1.47 -0.06 -1.26 -4.97 117.38 105.60 1sku n GLN 8 Ca 0.00 1.92 -0.33 0.00 -2.00 0.00 0.00 57.00 56.59 1sku n GLN 8 Cb 0.00 -4.47 0.03 0.00 -4.06 0.00 0.00 30.24 21.74 1sku n GLN 8 CO 0.00 0.00 0.00 1.33 -0.20 0.00 0.00 177.06 178.19 1sku n VAL 9 N 0.01 3.05 -1.50 1.69 0.24 -1.26 -5.08 118.33 115.48 1sku n VAL 9 Ca 0.05 -4.38 -0.52 0.00 -2.04 0.00 0.00 64.34 57.45 1sku n VAL 9 Cb 0.20 -1.23 -0.05 0.00 -1.47 0.00 0.00 33.84 31.28 1sku n VAL 9 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 1sku n GLU 10 N -0.57 0.45 -2.37 7.34 0.28 -1.26 -4.82 120.64 119.68 1sku n GLU 10 Ca 0.49 0.16 -0.42 0.00 -0.16 0.00 0.00 57.16 57.22 1sku n GLU 10 Cb 0.50 -1.53 -0.03 0.00 1.43 0.00 0.00 31.44 31.82 1sku n GLU 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1sku s ALA 11 N -0.34 3.54 -0.37 -1.84 0.00 -1.26 -4.99 121.76 116.51 1sku s ALA 11 Ca 0.77 0.69 0.00 0.00 0.00 0.00 0.00 51.96 53.42 1sku s ALA 11 Cb -1.02 -3.56 0.13 0.00 0.00 0.00 0.00 23.12 18.68 1sku s ALA 11 CO 0.55 -0.87 0.20 0.96 0.00 0.00 0.00 175.76 176.60 1sku s ILE 12 N 2.46 0.52 0.00 0.00 -4.36 -1.26 -4.98 121.20 113.57 1sku s ILE 12 Ca 0.59 -1.83 0.00 0.00 -0.26 0.00 0.00 60.65 59.14 1sku s ILE 12 Cb -0.27 -1.38 0.00 0.00 1.25 0.00 0.00 42.46 42.06 1sku s ILE 12 CO 0.23 -0.92 0.00 0.29 0.24 0.00 0.00 174.94 174.78 1sku n LYS 13 N 4.07 1.04 -0.67 0.37 4.76 -1.26 -4.80 118.16 121.67 1sku n LYS 13 Ca 0.08 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.21 1sku n LYS 13 Cb 0.37 0.00 0.17 0.00 -1.84 0.00 0.00 35.03 33.73 1sku n LYS 13 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1sku n ARG 14 N -0.80 -0.91 0.00 1.97 3.00 -1.26 -4.71 116.66 113.95 1sku n ARG 14 Ca 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 57.85 57.63 1sku n ARG 14 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 32.46 30.34 1sku n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1sku n GLY 15 N 0.94 0.94 3.35 5.14 0.00 -1.25 -0.62 105.19 113.69 1sku n GLY 15 Ca 0.08 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.87 1sku n GLY 15 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1sku s THR 16 N 0.00 0.00 0.00 2.61 -4.23 -1.25 -3.97 115.64 108.80 1sku s THR 16 Ca 0.00 -1.78 0.00 0.00 -1.18 0.00 0.00 61.69 58.73 1sku s THR 16 Cb 0.00 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.44 1sku s THR 16 CO 0.00 0.00 0.00 0.55 -0.54 0.00 0.00 174.62 174.63 1sku n VAL 17 N -0.33 0.00 -4.18 2.29 3.14 -1.15 -4.50 118.33 113.61 1sku n VAL 17 Ca 0.01 0.00 -0.24 0.00 -2.96 0.00 0.00 64.34 61.15 1sku n VAL 17 Cb 0.64 0.00 -0.07 0.00 -1.06 0.00 0.00 33.84 33.35 1sku n VAL 17 CO 0.00 0.00 0.00 -0.51 -6.46 0.00 0.00 176.83 169.86 1sku s ILE 18 N -0.91 2.76 0.00 1.55 -1.16 -1.26 -3.64 121.20 118.54 1sku s ILE 18 Ca 0.00 -1.78 0.00 0.00 -0.51 0.00 0.00 60.65 58.36 1sku s ILE 18 Cb 0.00 -2.92 0.00 0.00 0.61 0.00 0.00 42.46 40.15 1sku s ILE 18 CO 0.00 -0.15 0.00 -0.90 -2.81 0.00 0.00 174.94 171.08 1sku n ASP 19 N -1.10 0.23 -0.01 4.50 3.85 -1.26 -4.31 116.55 118.45 1sku n ASP 19 Ca -0.03 -0.63 -0.00 0.00 -0.71 0.00 0.00 54.79 53.41 1sku n ASP 19 Cb 0.62 0.00 -0.00 0.00 -1.35 0.00 0.00 41.12 40.39 1sku n ASP 19 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 1sku n HIS 20 N -0.56 0.00 -2.80 2.11 -0.00 -1.21 -4.80 115.22 107.96 1sku n HIS 20 Ca 0.00 0.00 -0.38 0.00 0.46 0.00 0.00 57.72 57.80 1sku n HIS 20 Cb 0.00 -0.22 -0.06 0.00 -0.12 0.00 0.00 29.99 29.58 1sku n HIS 20 CO 0.00 0.00 0.00 0.42 0.46 0.00 0.00 176.34 177.22 1sku s ILE 21 N -1.99 4.20 0.98 3.57 1.01 -1.08 -4.75 121.20 123.13 1sku s ILE 21 Ca 0.00 1.87 -0.15 0.00 0.00 0.00 0.00 60.65 62.37 1sku s ILE 21 Cb 0.00 -4.09 0.23 0.00 0.01 0.00 0.00 42.46 38.61 1sku s ILE 21 CO 0.00 0.25 0.53 -2.65 0.00 0.00 0.00 174.94 173.07 1sku n PRO 22 N 0.85 -2.95 -2.61 2.79 -0.02 -1.26 -4.15 135.00 127.65 1sku n PRO 22 Ca 0.00 -0.89 -0.40 0.00 -2.02 0.00 0.00 63.50 60.20 1sku n PRO 22 Cb 0.49 -1.31 -0.05 0.00 -0.02 0.00 0.00 33.50 32.61 1sku n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1sku s ALA 23 N -2.07 3.37 -1.41 3.55 0.00 -1.26 -3.61 121.76 120.34 1sku s ALA 23 Ca 0.41 0.76 -0.04 0.00 0.00 0.00 0.00 51.96 53.09 1sku s ALA 23 Cb -0.07 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.78 1sku s ALA 23 CO 0.34 0.02 0.36 1.04 0.00 0.00 0.00 175.76 177.51 1sku n GLN 24 N 1.30 -2.37 0.00 0.00 3.00 -1.26 -4.88 117.38 113.17 1sku n GLN 24 Ca -0.01 0.31 0.00 0.00 -0.01 0.00 0.00 57.00 57.29 1sku n GLN 24 Cb 0.46 -4.14 0.00 0.00 0.00 0.00 0.00 30.24 26.56 1sku n GLN 24 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.06 176.17 1sku n ILE 25 N -4.47 0.00 -0.14 5.09 2.08 -1.24 -4.63 119.36 116.06 1sku n ILE 25 Ca -0.29 0.00 -0.11 0.00 0.56 0.00 0.00 62.75 62.91 1sku n ILE 25 Cb 0.68 -0.11 -0.01 0.00 -0.75 0.00 0.00 39.64 39.44 1sku n ILE 25 CO 0.00 0.00 0.00 1.23 0.56 0.00 0.00 176.55 178.34 1sku h GLY 26 N 0.00 0.87 2.00 7.39 0.00 -1.90 -0.17 103.07 111.27 1sku h GLY 26 Ca 0.00 -0.73 -0.08 0.00 0.00 0.00 0.00 47.33 46.52 1sku h GLY 26 CO 0.00 0.67 -0.37 -2.75 0.00 0.00 0.00 176.54 174.09 1sku h PHE 27 N 0.63 0.00 0.00 5.60 3.57 -1.98 -2.64 116.94 122.12 1sku h PHE 27 Ca 0.10 0.00 -0.02 0.00 3.53 0.00 0.00 57.97 61.59 1sku h PHE 27 Cb 0.64 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.38 1sku h PHE 27 CO 0.05 0.37 -0.07 -0.22 -2.23 0.00 0.00 178.31 176.21 1sku h LYS 28 N 0.00 0.00 -0.77 1.11 3.64 -1.68 -2.83 116.57 116.04 1sku h LYS 28 Ca -0.00 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 59.21 1sku h LYS 28 Cb 0.88 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.60 1sku h LYS 28 CO 0.05 0.07 0.21 1.28 -2.27 0.00 0.00 179.45 178.79 1sku n LEU 29 N -3.17 5.58 0.02 5.20 4.77 -0.13 -4.09 117.00 125.19 1sku n LEU 29 Ca 0.01 -2.89 0.00 0.00 -0.03 0.00 0.00 56.01 53.10 1sku n LEU 29 Cb 0.39 -0.71 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 1sku n LEU 29 CO 0.30 0.73 -0.27 0.18 -1.33 0.00 0.00 177.39 177.01 1sku n LEU 30 N -0.01 0.41 -0.03 2.23 4.77 -1.07 -4.64 117.00 118.67 1sku n LEU 30 Ca 0.35 0.07 -0.17 0.00 -0.03 0.00 0.00 56.01 56.23 1sku n LEU 30 Cb 1.25 -0.11 -0.08 0.00 -2.33 0.00 0.00 43.42 42.15 1sku n LEU 30 CO 0.38 -0.34 0.33 0.28 -1.33 0.00 0.00 177.39 176.70 1sku h SER 31 N 0.00 0.81 0.36 -1.43 0.02 -1.77 -2.89 113.55 108.65 1sku h SER 31 Ca 0.00 -0.63 -0.02 0.00 -0.84 0.00 0.00 61.79 60.31 1sku h SER 31 Cb 0.53 -0.24 0.00 0.00 0.14 0.00 0.00 62.40 62.84 1sku h SER 31 CO 0.00 1.30 -0.17 -0.07 -1.14 0.00 0.00 176.83 176.75 1sku h LEU 32 N 0.36 -0.41 -0.46 5.07 3.38 -1.85 -3.22 115.31 118.19 1sku h LEU 32 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1sku h LEU 32 Cb 1.27 0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.12 1sku h LEU 32 CO 0.13 -0.10 0.00 0.49 0.09 0.00 0.00 178.44 179.05 1sku n PHE 33 N -4.37 0.54 -3.34 1.13 0.99 -1.26 -4.91 117.46 106.23 1sku n PHE 33 Ca -0.06 0.21 -0.17 0.00 -0.00 0.00 0.00 57.45 57.43 1sku n PHE 33 Cb 0.19 -0.84 0.07 0.00 -1.00 0.00 0.00 39.48 37.90 1sku n PHE 33 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.76 178.39 1sku n LYS 34 N -1.99 -3.66 0.21 -1.08 5.02 -1.10 -4.92 118.16 110.63 1sku n LYS 34 Ca 0.03 0.84 0.10 0.00 -2.02 0.00 0.00 58.31 57.25 1sku n LYS 34 Cb 0.21 -5.75 0.23 0.00 -0.02 0.00 0.00 35.03 29.70 1sku n LYS 34 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1sku h LEU 35 N -1.40 0.00 -1.62 -0.35 3.38 -1.79 -3.03 115.31 110.50 1sku h LEU 35 Ca -0.61 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.33 1sku h LEU 35 Cb 1.32 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.07 1sku h LEU 35 CO 0.47 0.17 -0.15 0.71 0.09 0.00 0.00 178.44 179.72 1sku h THR 36 N 0.00 0.49 0.00 0.22 1.35 -1.92 -3.23 112.91 109.83 1sku h THR 36 Ca -0.00 -0.74 0.00 0.00 -0.55 0.00 0.00 66.41 65.12 1sku h THR 36 Cb 1.02 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1sku h THR 36 CO 0.02 0.14 0.00 -0.62 -0.25 0.00 0.00 175.52 174.82 1sku n GLU 37 N -3.48 0.81 -0.17 4.72 -0.58 -1.14 -3.08 120.64 117.73 1sku n GLU 37 Ca -0.01 0.00 -0.03 0.00 -0.42 0.00 0.00 57.16 56.70 1sku n GLU 37 Cb 0.31 -1.14 0.18 0.00 -0.57 0.00 0.00 31.44 30.22 1sku n GLU 37 CO 0.00 0.00 0.00 1.15 -0.48 0.00 0.00 177.13 177.80 1sku h THR 38 N 0.00 1.23 -5.64 2.62 2.02 -1.78 -3.47 112.91 107.88 1sku h THR 38 Ca 0.00 -0.75 -0.28 0.00 0.77 0.00 0.00 66.41 66.14 1sku h THR 38 Cb 0.00 0.54 0.16 0.00 -1.74 0.00 0.00 68.15 67.11 1sku h THR 38 CO 0.00 0.29 -0.83 0.47 0.37 0.00 0.00 175.52 175.82 1sku n ASP 39 N -4.29 -6.40 0.00 4.18 8.00 -1.18 -4.91 116.55 111.95 1sku n ASP 39 Ca 0.05 -0.75 0.00 0.00 0.71 0.00 0.00 54.79 54.80 1sku n ASP 39 Cb 0.19 -4.75 0.00 0.00 -0.02 0.00 0.00 41.12 36.55 1sku n ASP 39 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1sku n GLN 40 N -3.37 0.00 -3.64 -1.24 10.64 -1.26 -5.16 117.38 113.35 1sku n GLN 40 Ca -0.07 0.00 -0.07 0.00 -1.83 0.00 0.00 57.00 55.03 1sku n GLN 40 Cb 0.61 0.00 -0.07 0.00 -0.86 0.00 0.00 30.24 29.92 1sku n GLN 40 CO 0.00 0.00 0.00 -0.98 -1.83 0.00 0.00 177.06 174.25 1sku s ARG 41 N -0.02 0.68 0.22 2.61 3.03 -1.26 -5.17 118.95 119.04 1sku s ARG 41 Ca 0.00 1.22 -0.20 0.00 2.03 0.00 0.00 55.73 58.77 1sku s ARG 41 Cb 0.00 0.18 0.04 0.00 -1.03 0.00 0.00 34.95 34.13 1sku s ARG 41 CO 0.00 -0.15 0.63 0.42 -1.13 0.00 0.00 175.30 175.06 1sku s ILE 42 N 1.71 0.01 0.15 4.99 1.01 -1.26 -4.43 121.20 123.37 1sku s ILE 42 Ca -0.10 -0.67 -0.19 0.00 0.00 0.00 0.00 60.65 59.69 1sku s ILE 42 Cb -0.06 -1.61 0.05 0.00 0.01 0.00 0.00 42.46 40.85 1sku s ILE 42 CO -0.19 -0.03 0.50 0.28 0.00 0.00 0.00 174.94 175.50 1sku s THR 43 N -3.86 0.04 0.35 2.92 -1.32 -1.26 -4.98 115.64 107.52 1sku s THR 43 Ca 0.08 -0.37 0.03 0.00 -1.21 0.00 0.00 61.69 60.22 1sku s THR 43 Cb -0.03 -1.16 -0.05 0.00 -1.51 0.00 0.00 72.50 69.75 1sku s THR 43 CO -0.01 -0.16 0.08 -0.51 -2.21 0.00 0.00 174.62 171.81 1sku s ILE 44 N -3.79 0.95 -0.47 5.08 -1.16 -1.26 -1.81 121.20 118.74 1sku s ILE 44 Ca 0.03 -2.00 0.07 0.00 -0.51 0.00 0.00 60.65 58.24 1sku s ILE 44 Cb 0.00 -2.64 0.18 0.00 0.61 0.00 0.00 42.46 40.62 1sku s ILE 44 CO -0.11 0.00 0.63 -0.83 -2.81 0.00 0.00 174.94 171.82 1sku s GLY 45 N -3.51 -0.88 0.25 1.50 0.00 -0.50 -4.94 107.32 99.23 1sku s GLY 45 Ca 0.32 -0.55 -0.12 0.00 0.00 0.00 0.00 44.72 44.37 1sku s GLY 45 CO 0.15 3.41 0.61 1.08 0.00 0.00 0.00 173.10 178.35 1sku s LEU 46 N 1.05 4.16 -0.97 0.66 1.43 -1.26 -1.27 118.68 122.48 1sku s LEU 46 Ca 0.26 1.07 -0.10 0.00 -1.03 0.00 0.00 54.13 54.33 1sku s LEU 46 Cb -0.02 -3.75 -0.01 0.00 0.03 0.00 0.00 46.19 42.44 1sku s LEU 46 CO -0.07 -0.09 0.76 0.59 0.23 0.00 0.00 176.35 177.77 1sku n ASN 47 N -0.06 -6.11 -4.43 2.29 4.13 -1.26 -4.75 115.26 105.07 1sku n ASN 47 Ca 0.01 -0.71 -0.31 0.00 1.68 0.00 0.00 54.58 55.25 1sku n ASN 47 Cb 0.52 -3.87 -0.13 0.00 -1.54 0.00 0.00 39.78 34.76 1sku n ASN 47 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 1sku s LEU 48 N -5.40 2.50 0.10 3.41 1.43 -1.26 -4.81 118.68 114.65 1sku s LEU 48 Ca 0.27 -0.48 -0.36 0.00 -1.03 0.00 0.00 54.13 52.53 1sku s LEU 48 Cb -0.08 -1.46 -0.16 0.00 0.03 0.00 0.00 46.19 44.52 1sku s LEU 48 CO 0.82 0.25 1.37 -0.81 0.23 0.00 0.00 176.35 178.21 1sku n PRO 49 N 1.56 1.29 -3.92 1.29 -0.04 -1.26 -1.93 135.00 131.99 1sku n PRO 49 Ca -0.16 0.47 -0.25 0.00 -0.04 0.00 0.00 63.50 63.51 1sku n PRO 49 Cb 0.52 -2.12 -0.03 0.00 -0.04 0.00 0.00 33.50 31.84 1sku n PRO 49 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 1sku s SER 50 N 0.52 4.64 0.00 3.54 1.04 -1.17 -4.89 113.70 117.38 1sku s SER 50 Ca 0.83 -1.15 0.00 0.00 0.48 0.00 0.00 55.95 56.11 1sku s SER 50 Cb -0.91 0.10 0.00 0.00 0.10 0.00 0.00 66.02 65.31 1sku s SER 50 CO 0.46 -0.92 0.02 0.61 0.98 0.00 0.00 173.24 174.39 1sku n GLY 51 N -1.61 0.39 2.42 7.32 0.00 -1.26 -4.63 105.19 107.81 1sku n GLY 51 Ca -0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.66 1sku n GLY 51 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1sku n GLU 52 N -0.06 2.66 0.00 1.61 0.28 -1.26 -4.93 120.64 118.93 1sku n GLU 52 Ca 0.00 -3.24 0.00 0.00 -0.16 0.00 0.00 57.16 53.76 1sku n GLU 52 Cb 0.00 -2.25 0.00 0.00 1.43 0.00 0.00 31.44 30.62 1sku n GLU 52 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1sku n MET 53 N -0.77 0.00 0.00 3.44 1.56 -1.26 -5.15 117.12 114.94 1sku n MET 53 Ca 0.60 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 58.03 1sku n MET 53 Cb 0.58 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.95 1sku n MET 53 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65 1sku n GLY 54 N 0.00 -0.62 3.40 -5.12 0.00 -1.26 -4.69 105.19 96.90 1sku n GLY 54 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 46.02 45.79 1sku n GLY 54 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1sku s ARG 55 N 0.00 0.94 0.00 1.61 1.70 -1.26 -3.04 118.95 118.90 1sku s ARG 55 Ca 0.00 -0.02 0.00 0.00 -0.47 0.00 0.00 55.73 55.24 1sku s ARG 55 Cb 0.00 0.43 0.00 0.00 -0.57 0.00 0.00 34.95 34.81 1sku s ARG 55 CO 0.00 -0.30 0.00 1.63 -1.08 0.00 0.00 175.30 175.55 1sku n LYS 56 N 0.86 0.00 -0.34 3.89 5.02 -0.81 -4.35 118.16 122.42 1sku n LYS 56 Ca -0.20 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.09 1sku n LYS 56 Cb 0.58 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.59 1sku n LYS 56 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1sku n ASP 57 N 0.00 -3.32 -2.96 4.39 8.00 -1.18 -2.65 116.55 118.84 1sku n ASP 57 Ca 0.00 0.24 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 1sku n ASP 57 Cb 0.00 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 1sku n ASP 57 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1sku s LEU 58 N -1.15 -1.48 -0.24 0.64 0.20 -0.40 -3.35 118.68 112.90 1sku s LEU 58 Ca 0.00 -1.31 -0.09 0.00 0.69 0.00 0.00 54.13 53.42 1sku s LEU 58 Cb 0.00 1.92 -0.04 0.00 -0.43 0.00 0.00 46.19 47.64 1sku s LEU 58 CO 0.00 -0.10 0.11 -0.51 -0.29 0.00 0.00 176.35 175.56 1sku s ILE 59 N 1.30 4.80 0.04 6.68 2.07 -1.26 -1.40 121.20 133.43 1sku s ILE 59 Ca 0.24 -0.01 0.00 0.00 -1.41 0.00 0.00 60.65 59.47 1sku s ILE 59 Cb -0.02 -3.24 0.00 0.00 0.13 0.00 0.00 42.46 39.33 1sku s ILE 59 CO -0.06 0.34 0.00 0.29 -1.91 0.00 0.00 174.94 173.60 1sku n LYS 60 N 4.60 -0.34 0.00 3.50 4.76 -0.75 -4.72 118.16 125.21 1sku n LYS 60 Ca -0.16 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.51 1sku n LYS 60 Cb 0.52 -0.42 0.00 0.00 -1.84 0.00 0.00 35.03 33.29 1sku n LYS 60 CO 0.00 0.00 0.00 1.51 -1.37 0.00 0.00 177.40 177.54 1sku n ILE 61 N -1.43 0.00 -2.05 -0.18 0.13 -1.26 -4.66 119.36 109.91 1sku n ILE 61 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 1sku n ILE 61 Cb 0.08 0.00 0.00 0.00 -0.84 0.00 0.00 39.64 38.88 1sku n ILE 61 CO 0.00 0.00 0.00 -0.62 2.80 0.00 0.00 176.55 178.73 1sku n GLU 62 N -0.43 -5.39 -3.96 9.51 -0.58 0.21 -4.49 120.64 115.52 1sku n GLU 62 Ca 0.00 3.82 -0.32 0.00 -0.42 0.00 0.00 57.16 60.25 1sku n GLU 62 Cb 0.00 -4.18 -0.01 0.00 -0.57 0.00 0.00 31.44 26.68 1sku n GLU 62 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1sku n ASN 63 N 1.56 -2.09 -3.00 1.62 2.85 -1.26 -4.88 115.26 110.06 1sku n ASN 63 Ca 0.00 -1.10 -0.16 0.00 -0.11 0.00 0.00 54.58 53.21 1sku n ASN 63 Cb 0.00 -2.68 -0.00 0.00 1.24 0.00 0.00 39.78 38.34 1sku n ASN 63 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 1sku n THR 64 N -4.49 -0.28 -1.88 -0.44 -2.24 -1.26 -5.09 114.28 98.60 1sku n THR 64 Ca -0.22 -3.09 -0.42 0.00 -2.27 0.00 0.00 64.05 58.05 1sku n THR 64 Cb 0.64 -0.11 -0.03 0.00 -2.10 0.00 0.00 70.33 68.73 1sku n THR 64 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 1sku s PHE 65 N -0.75 1.71 -0.21 4.78 -0.71 -1.26 -4.43 117.98 117.11 1sku s PHE 65 Ca 0.33 -0.05 -0.08 0.00 -1.04 0.00 0.00 56.93 56.09 1sku s PHE 65 Cb 0.25 -4.04 -0.04 0.00 -1.21 0.00 0.00 43.02 37.97 1sku s PHE 65 CO -0.13 -4.50 0.09 -0.51 -1.34 0.00 0.00 175.22 168.83 1sku s LEU 66 N 4.25 3.85 1.09 -1.99 2.01 -1.26 -5.09 118.68 121.54 1sku s LEU 66 Ca 0.79 0.06 -0.13 0.00 0.01 0.00 0.00 54.13 54.85 1sku s LEU 66 Cb -0.37 -2.00 0.24 0.00 0.01 0.00 0.00 46.19 44.07 1sku s LEU 66 CO 0.34 0.12 1.07 -0.55 1.01 0.00 0.00 176.35 178.34 1sku s SER 67 N 0.71 1.78 0.06 2.29 0.15 -1.26 -4.82 113.70 112.61 1sku s SER 67 Ca 0.05 1.19 -0.21 0.00 0.70 0.00 0.00 55.95 57.68 1sku s SER 67 Cb -0.13 -1.86 -0.13 0.00 -1.71 0.00 0.00 66.02 62.20 1sku s SER 67 CO 0.02 -3.66 1.49 -0.33 1.20 0.00 0.00 173.24 171.96 1sku h GLU 68 N -2.25 0.25 0.00 5.44 3.07 -1.99 -2.34 114.58 116.76 1sku h GLU 68 Ca -0.56 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.22 1sku h GLU 68 Cb 1.33 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.22 1sku h GLU 68 CO 0.53 0.48 0.00 0.38 -1.40 0.00 0.00 179.01 179.00 1sku h ASP 69 N -0.02 0.00 1.16 1.42 3.04 -1.99 -2.55 116.42 117.48 1sku h ASP 69 Ca 0.04 0.00 -0.15 0.00 -3.24 0.00 0.00 57.03 53.68 1sku h ASP 69 Cb 0.37 0.00 -0.02 0.00 -1.04 0.00 0.00 39.33 38.64 1sku h ASP 69 CO 0.01 0.00 -0.72 -0.61 -2.04 0.00 0.00 179.24 175.88 1sku h GLN 70 N 0.00 0.00 0.00 4.15 5.75 -1.87 -3.07 115.11 120.07 1sku h GLN 70 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1sku h GLN 70 Cb 0.57 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.12 1sku h GLN 70 CO 0.00 0.72 -0.54 0.28 -2.65 0.00 0.00 178.83 176.64 1sku h VAL 71 N 0.00 0.00 -0.04 2.39 2.07 -1.25 -3.10 116.25 116.32 1sku h VAL 71 Ca -0.01 -0.58 -0.09 0.00 0.82 0.00 0.00 66.70 66.84 1sku h VAL 71 Cb 1.49 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 1sku h VAL 71 CO 0.09 0.00 -0.41 0.44 0.02 0.00 0.00 177.57 177.71 1sku h ASP 72 N 0.00 0.08 -0.41 0.57 5.19 -1.40 -2.92 116.42 117.54 1sku h ASP 72 Ca 0.00 -0.03 0.02 0.00 -0.62 0.00 0.00 57.03 56.40 1sku h ASP 72 Cb 0.79 -0.02 -0.02 0.00 0.18 0.00 0.00 39.33 40.25 1sku h ASP 72 CO 0.00 0.49 0.27 1.56 -3.12 0.00 0.00 179.24 178.44 1sku h GLN 73 N 0.07 0.45 -0.08 3.56 1.08 -1.45 -1.78 115.11 116.96 1sku h GLN 73 Ca 0.00 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.08 1sku h GLN 73 Cb 0.76 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.07 1sku h GLN 73 CO 0.06 0.30 -0.38 -0.07 -0.95 0.00 0.00 178.83 177.79 1sku h LEU 74 N 0.47 0.16 -0.55 1.46 4.07 -1.64 -3.35 115.31 115.93 1sku h LEU 74 Ca 0.16 -0.06 0.11 0.00 0.08 0.00 0.00 57.88 58.17 1sku h LEU 74 Cb 0.07 -0.04 -0.11 0.00 1.08 0.00 0.00 40.66 41.66 1sku h LEU 74 CO -0.04 0.53 -0.23 0.00 -1.08 0.00 0.00 178.44 177.62 1sku h ALA 75 N 1.48 0.17 -0.27 1.53 0.00 -1.35 0.32 119.26 121.14 1sku h ALA 75 Ca 0.01 0.19 0.05 0.00 0.00 0.00 0.00 54.91 55.17 1sku h ALA 75 Cb 0.73 0.59 -0.05 0.00 0.00 0.00 0.00 17.79 19.06 1sku h ALA 75 CO 0.06 -0.55 -0.08 1.25 0.00 0.00 0.00 179.25 179.93 1sku h LEU 76 N -0.10 -0.27 0.29 0.00 6.46 -1.72 -3.20 115.31 116.77 1sku h LEU 76 Ca 0.25 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.08 1sku h LEU 76 Cb 0.49 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 40.60 1sku h LEU 76 CO -0.61 -0.10 -0.14 1.88 -0.62 0.00 0.00 178.44 178.85 1sku h TYR 77 N -0.01 -0.37 -3.49 1.25 0.05 -1.57 -3.43 116.97 109.40 1sku h TYR 77 Ca 0.13 -0.01 -0.67 0.00 0.05 0.00 0.00 58.73 58.24 1sku h TYR 77 Cb 0.21 0.12 -0.29 0.00 1.01 0.00 0.00 36.73 37.79 1sku h TYR 77 CO -0.27 -0.23 -0.71 0.00 -1.05 0.00 0.00 178.16 175.91 1sku s ALA 78 N -3.67 2.84 -0.35 3.88 0.00 0.11 -4.99 121.76 119.58 1sku s ALA 78 Ca -0.06 -1.33 0.03 0.00 0.00 0.00 0.00 51.96 50.60 1sku s ALA 78 Cb 0.01 -1.81 0.49 0.00 0.00 0.00 0.00 23.12 21.81 1sku s ALA 78 CO 0.17 -0.67 1.72 -0.35 0.00 0.00 0.00 175.76 176.63 1sku n PRO 79 N 4.77 1.97 -2.62 0.00 -0.04 -1.21 -3.68 135.00 134.19 1sku n PRO 79 Ca -0.17 -2.28 -0.11 0.00 -0.04 0.00 0.00 63.50 60.89 1sku n PRO 79 Cb 0.49 -1.90 0.03 0.00 -0.04 0.00 0.00 33.50 32.08 1sku n PRO 79 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 1sku n GLN 80 N -0.71 1.82 -4.12 0.54 7.27 -1.26 -5.06 117.38 115.86 1sku n GLN 80 Ca 0.45 -3.58 -0.16 0.00 0.07 0.00 0.00 57.00 53.78 1sku n GLN 80 Cb 1.33 -1.56 -0.05 0.00 2.41 0.00 0.00 30.24 32.38 1sku n GLN 80 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1sku s ALA 81 N -3.36 0.95 0.00 1.69 0.00 -1.26 -3.81 121.76 115.97 1sku s ALA 81 Ca 0.32 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.67 1sku s ALA 81 Cb 0.42 1.20 0.00 0.00 0.00 0.00 0.00 23.12 24.74 1sku s ALA 81 CO -0.02 -0.77 0.00 -2.37 0.00 0.00 0.00 175.76 172.60 1sku n THR 82 N -0.58 0.00 -1.16 0.00 5.66 -1.26 -4.28 114.28 112.65 1sku n THR 82 Ca 0.02 0.00 -0.43 0.00 -3.05 0.00 0.00 64.05 60.59 1sku n THR 82 Cb 0.62 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.35 1sku n THR 82 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 1sku n VAL 83 N 0.00 0.74 -4.11 1.08 0.31 -1.09 -4.48 118.33 110.78 1sku n VAL 83 Ca 0.00 -0.18 -0.34 0.00 -0.01 0.00 0.00 64.34 63.81 1sku n VAL 83 Cb 0.00 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 32.78 1sku n VAL 83 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1sku s ASN 84 N -0.37 3.48 -1.11 4.52 0.01 -1.24 -4.06 114.94 116.18 1sku s ASN 84 Ca 0.63 -0.57 -0.03 0.00 -0.71 0.00 0.00 52.86 52.18 1sku s ASN 84 Cb -0.89 -1.55 0.27 0.00 0.41 0.00 0.00 41.25 39.49 1sku s ASN 84 CO 0.45 0.00 1.88 0.54 -1.51 0.00 0.00 177.10 178.46 1sku n ARG 85 N 4.61 5.05 -1.69 -0.60 1.74 -1.00 -2.93 116.66 121.84 1sku n ARG 85 Ca -0.20 -4.37 -0.38 0.00 -0.77 0.00 0.00 57.85 52.13 1sku n ARG 85 Cb 0.50 -2.53 0.05 0.00 -1.02 0.00 0.00 32.46 29.46 1sku n ARG 85 CO 0.00 0.00 0.00 -0.89 -1.52 0.00 0.00 177.63 175.22 1sku n ILE 86 N 0.67 3.86 0.00 0.55 5.41 -1.26 -4.63 119.36 123.96 1sku n ILE 86 Ca 0.46 -0.50 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1sku n ILE 86 Cb 0.27 -1.45 0.00 0.00 -0.71 0.00 0.00 39.64 37.76 1sku n ILE 86 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1sku n ASP 87 N -0.94 2.52 -2.71 4.38 8.00 -1.21 -3.79 116.55 122.81 1sku n ASP 87 Ca 0.12 0.00 -0.07 0.00 0.71 0.00 0.00 54.79 55.55 1sku n ASP 87 Cb 0.45 0.05 0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1sku n ASP 87 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1sku n ASN 88 N -1.98 -1.94 -1.61 -2.24 4.05 -1.26 -4.87 115.26 105.41 1sku n ASN 88 Ca 0.00 -2.97 -0.16 0.00 0.45 0.00 0.00 54.58 51.90 1sku n ASN 88 Cb 0.30 1.57 -0.03 0.00 1.23 0.00 0.00 39.78 42.85 1sku n ASN 88 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1sku n TYR 89 N 0.22 -0.46 -4.09 1.20 4.11 -1.26 -4.90 117.16 111.97 1sku n TYR 89 Ca -0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.90 57.57 1sku n TYR 89 Cb 0.73 -3.11 -0.16 0.00 -0.00 0.00 0.00 39.34 36.80 1sku n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.86 174.86 1sku s GLU 90 N -4.23 2.72 0.13 -3.48 2.12 -1.26 -5.06 118.70 109.65 1sku s GLU 90 Ca 0.00 -1.02 -0.22 0.00 0.36 0.00 0.00 54.97 54.09 1sku s GLU 90 Cb 0.00 -2.70 -0.07 0.00 0.26 0.00 0.00 34.13 31.61 1sku s GLU 90 CO 0.00 -0.34 0.68 0.14 -0.54 0.00 0.00 175.26 175.20 1sku s VAL 91 N 1.23 4.55 -0.15 3.70 -7.23 -1.26 -3.29 120.40 117.94 1sku s VAL 91 Ca -0.00 1.44 -0.30 0.00 -1.81 0.00 0.00 61.98 61.31 1sku s VAL 91 Cb -0.16 -4.00 0.11 0.00 0.56 0.00 0.00 36.38 32.90 1sku s VAL 91 CO -0.10 0.49 0.92 0.54 -0.31 0.00 0.00 175.10 176.65 1sku s VAL 92 N -1.18 0.00 -0.42 1.32 0.11 -1.26 -5.00 120.40 113.97 1sku s VAL 92 Ca 0.34 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.29 1sku s VAL 92 Cb -0.21 -1.00 0.01 0.00 -1.53 0.00 0.00 36.38 33.65 1sku s VAL 92 CO 0.23 0.00 0.51 0.61 -3.33 0.00 0.00 175.10 173.12 1sku n GLY 93 N 0.99 -1.17 3.68 6.54 0.00 -1.26 -2.38 105.19 111.59 1sku n GLY 93 Ca -0.13 0.83 -0.41 0.00 0.00 0.00 0.00 46.02 46.32 1sku n GLY 93 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1sku s LYS 94 N -2.50 4.32 -0.05 1.61 2.47 -1.26 -4.57 119.74 119.75 1sku s LYS 94 Ca 0.15 0.89 -0.02 0.00 -1.56 0.00 0.00 55.97 55.43 1sku s LYS 94 Cb -0.04 -3.54 0.04 0.00 -1.46 0.00 0.00 37.83 32.82 1sku s LYS 94 CO 0.62 -0.20 0.09 -1.54 0.16 0.00 0.00 175.35 174.48 1sku s SER 95 N 1.08 0.71 -0.06 1.43 1.04 -1.26 -5.02 113.70 111.63 1sku s SER 95 Ca 0.36 0.16 -0.05 0.00 0.48 0.00 0.00 55.95 56.90 1sku s SER 95 Cb -0.17 0.01 -0.04 0.00 0.10 0.00 0.00 66.02 65.92 1sku s SER 95 CO 0.14 -0.22 0.18 -0.60 0.98 0.00 0.00 173.24 173.72 1sku s ARG 96 N 1.89 3.47 -0.68 4.02 3.52 -1.26 -2.68 118.95 127.23 1sku s ARG 96 Ca 0.00 -0.19 -0.28 0.00 -0.13 0.00 0.00 55.73 55.13 1sku s ARG 96 Cb -0.12 -3.14 -0.13 0.00 -1.56 0.00 0.00 34.95 30.00 1sku s ARG 96 CO -0.04 0.72 2.52 -0.35 -0.81 0.00 0.00 175.30 177.34 1sku n PRO 97 N 1.45 0.66 -0.25 5.12 -0.04 -1.26 -4.79 135.00 135.90 1sku n PRO 97 Ca -0.15 -0.00 0.10 0.00 -0.04 0.00 0.00 63.50 63.40 1sku n PRO 97 Cb 0.54 -2.73 0.23 0.00 -0.04 0.00 0.00 33.50 31.49 1sku n PRO 97 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1sku n SER 98 N 13.93 3.42 -1.62 3.54 2.88 -1.26 -4.80 113.62 129.72 1sku n SER 98 Ca 0.48 -1.96 0.00 0.00 -1.33 0.00 0.00 58.87 56.06 1sku n SER 98 Cb 0.36 -0.32 0.00 0.00 -0.75 0.00 0.00 64.21 63.49 1sku n SER 98 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1sku n LEU 99 N 1.24 -4.62 -4.95 2.46 4.77 -1.26 -5.04 117.00 109.59 1sku n LEU 99 Ca 0.18 1.87 -0.27 0.00 -0.03 0.00 0.00 56.01 57.77 1sku n LEU 99 Cb 0.54 -2.33 0.13 0.00 -2.33 0.00 0.00 43.42 39.43 1sku n LEU 99 CO 0.13 -1.38 0.70 -2.16 -1.33 0.00 0.00 177.39 173.35 1sku s PRO 100 N -1.39 1.43 0.03 3.23 0.04 -1.26 -5.01 135.00 132.08 1sku s PRO 100 Ca 0.00 -0.59 0.23 0.00 0.04 0.00 0.00 61.00 60.69 1sku s PRO 100 Cb 0.00 -2.09 0.12 0.00 0.04 0.00 0.00 34.50 32.57 1sku s PRO 100 CO 0.00 -1.76 1.11 -0.85 0.04 0.00 0.00 177.00 175.54 1sku n GLU 101 N -3.22 0.18 -4.29 4.56 0.28 -1.26 -4.74 120.64 112.15 1sku n GLU 101 Ca 0.13 0.00 -0.18 0.00 -0.16 0.00 0.00 57.16 56.95 1sku n GLU 101 Cb 0.60 -1.56 -0.14 0.00 1.43 0.00 0.00 31.44 31.77 1sku n GLU 101 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1sku s ARG 102 N -3.12 0.72 -0.16 3.44 0.52 -1.26 -3.11 118.95 115.97 1sku s ARG 102 Ca 0.06 -0.50 -0.01 0.00 -0.52 0.00 0.00 55.73 54.76 1sku s ARG 102 Cb 0.15 -0.67 0.05 0.00 0.52 0.00 0.00 34.95 35.00 1sku s ARG 102 CO 0.78 0.17 -0.01 0.42 0.02 0.00 0.00 175.30 176.68 1sku s ILE 103 N -0.57 0.79 0.20 1.52 1.01 -0.65 -4.92 121.20 118.58 1sku s ILE 103 Ca 0.01 -0.49 0.11 0.00 0.00 0.00 0.00 60.65 60.28 1sku s ILE 103 Cb -0.06 -1.08 -0.04 0.00 0.01 0.00 0.00 42.46 41.29 1sku s ILE 103 CO 0.00 0.03 -0.23 -1.81 0.00 0.00 0.00 174.94 172.92 1sku s ASP 104 N 1.76 3.46 0.00 3.58 1.11 -1.26 -2.04 116.67 123.29 1sku s ASP 104 Ca 0.01 -0.88 0.00 0.00 0.18 0.00 0.00 52.55 51.86 1sku s ASP 104 Cb -0.15 -0.27 0.00 0.00 1.07 0.00 0.00 42.92 43.57 1sku s ASP 104 CO -0.07 0.11 0.00 0.59 1.18 0.00 0.00 175.17 176.98 1sku n ASN 105 N 0.19 0.00 -0.13 0.27 3.02 -1.12 -4.75 115.26 112.74 1sku n ASN 105 Ca -0.12 0.00 -0.28 0.00 -0.03 0.00 0.00 54.58 54.16 1sku n ASN 105 Cb 0.56 -0.04 -0.09 0.00 -0.61 0.00 0.00 39.78 39.60 1sku n ASN 105 CO 0.00 0.00 0.00 1.33 -2.62 0.00 0.00 177.26 175.97 1sku n VAL 106 N -1.49 1.53 -2.22 2.41 0.24 -1.26 -4.84 118.33 112.70 1sku n VAL 106 Ca 0.00 -0.33 -0.27 0.00 -2.04 0.00 0.00 64.34 61.71 1sku n VAL 106 Cb 0.00 -1.93 0.05 0.00 -1.47 0.00 0.00 33.84 30.49 1sku n VAL 106 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 1sku s LEU 107 N -7.56 2.97 0.06 1.34 1.43 -1.26 -5.10 118.68 110.56 1sku s LEU 107 Ca -0.38 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.46 1sku s LEU 107 Cb 0.14 -3.38 -0.03 0.00 0.03 0.00 0.00 46.19 42.95 1sku s LEU 107 CO 0.48 -1.38 -0.23 -0.69 0.23 0.00 0.00 176.35 174.76 1sku s VAL 108 N -3.18 1.87 -0.22 -1.59 1.01 -1.26 -4.87 120.40 112.15 1sku s VAL 108 Ca 0.58 -1.34 -0.29 0.00 0.00 0.00 0.00 61.98 60.93 1sku s VAL 108 Cb -0.11 -1.62 -0.01 0.00 0.00 0.00 0.00 36.38 34.64 1sku s VAL 108 CO 0.46 0.22 1.34 0.00 0.00 0.00 0.00 175.10 177.13 1sku h PRO 110 N 9.01 0.00 -6.42 0.00 0.11 -1.96 -3.42 132.00 129.31 1sku h PRO 110 Ca -0.28 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.30 1sku h PRO 110 Cb 1.11 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.25 1sku h PRO 110 CO 1.00 0.00 1.19 -1.71 -0.21 0.00 0.00 178.00 178.27 1sku n ASN 111 N -4.25 4.13 0.04 -2.05 5.15 -1.26 -4.90 115.26 112.11 1sku n ASN 111 Ca 0.00 0.94 -0.11 0.00 -0.60 0.00 0.00 54.58 54.81 1sku n ASN 111 Cb 0.23 -1.54 0.02 0.00 -0.53 0.00 0.00 39.78 37.97 1sku n ASN 111 CO 0.00 0.00 0.00 0.77 1.40 0.00 0.00 177.26 179.43 1sku h SER 112 N 9.78 0.55 0.55 1.20 4.64 -2.04 -3.19 113.55 125.03 1sku h SER 112 Ca -0.48 -0.35 0.00 0.00 -0.47 0.00 0.00 61.79 60.48 1sku h SER 112 Cb 1.23 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 1sku h SER 112 CO 0.94 1.09 0.00 -3.20 -0.87 0.00 0.00 176.83 174.80 1sku n ASN 113 N -3.87 0.00 -4.74 4.97 5.15 -1.26 -4.84 115.26 110.68 1sku n ASN 113 Ca -0.04 0.10 -0.39 0.00 -0.60 0.00 0.00 54.58 53.65 1sku n ASN 113 Cb 0.69 -0.34 0.04 0.00 -0.53 0.00 0.00 39.78 39.64 1sku n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1sku n ILE 115 N -1.06 3.23 -0.27 0.00 3.06 -1.26 -4.23 119.36 118.83 1sku n ILE 115 Ca 0.11 -2.35 0.06 0.00 -2.50 0.00 0.00 62.75 58.07 1sku n ILE 115 Cb 0.45 -0.66 0.17 0.00 0.54 0.00 0.00 39.64 40.14 1sku n ILE 115 CO 0.00 0.00 0.00 -1.54 -2.50 0.00 0.00 176.55 172.51 1sku n SER 116 N -1.07 3.06 -0.12 9.51 3.41 -1.26 -4.64 113.62 122.52 1sku n SER 116 Ca 0.57 -2.11 -0.18 0.00 -0.26 0.00 0.00 58.87 56.89 1sku n SER 116 Cb 1.32 -0.27 -0.12 0.00 -0.26 0.00 0.00 64.21 64.87 1sku n SER 116 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1sku n HIS 117 N 0.43 0.10 -1.78 7.33 8.25 -1.26 -4.48 115.22 123.81 1sku n HIS 117 Ca 0.13 0.02 -0.28 0.00 -0.26 0.00 0.00 57.72 57.33 1sku n HIS 117 Cb 0.48 -1.01 0.04 0.00 1.12 0.00 0.00 29.99 30.62 1sku n HIS 117 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1sku n ALA 118 N -3.20 5.50 -2.31 -1.41 0.00 -1.26 -5.01 120.51 112.81 1sku n ALA 118 Ca -0.44 -3.69 -0.13 0.00 0.00 0.00 0.00 53.44 49.19 1sku n ALA 118 Cb 1.01 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 19.50 1sku n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1sku s GLU 119 N -3.68 0.89 -1.27 0.00 0.41 -1.26 -5.08 118.70 108.70 1sku s GLU 119 Ca 0.56 -1.29 -0.15 0.00 -0.41 0.00 0.00 54.97 53.68 1sku s GLU 119 Cb 0.45 -0.42 0.12 0.00 -1.78 0.00 0.00 34.13 32.50 1sku s GLU 119 CO 0.02 0.04 1.65 -0.35 -0.49 0.00 0.00 175.26 176.13 1sku n PRO 120 N 0.15 3.28 -4.26 0.39 -0.04 -1.26 -4.95 135.00 128.32 1sku n PRO 120 Ca -0.13 -3.51 -0.14 0.00 -0.04 0.00 0.00 63.50 59.68 1sku n PRO 120 Cb 0.60 -3.24 -0.10 0.00 -0.04 0.00 0.00 33.50 30.72 1sku n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1sku s VAL 121 N 2.68 0.85 -0.23 0.52 -7.23 -1.26 -5.14 120.40 110.59 1sku s VAL 121 Ca 0.48 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.57 1sku s VAL 121 Cb 0.02 -2.08 -0.03 0.00 0.56 0.00 0.00 36.38 34.85 1sku s VAL 121 CO 0.03 -0.52 0.06 -0.44 -0.31 0.00 0.00 175.10 173.91 1sku s SER 122 N -3.19 5.15 0.79 4.85 0.01 -1.26 -5.08 113.70 114.97 1sku s SER 122 Ca 0.23 -0.16 -0.13 0.00 1.31 0.00 0.00 55.95 57.19 1sku s SER 122 Cb 0.05 -1.91 0.07 0.00 0.21 0.00 0.00 66.02 64.44 1sku s SER 122 CO 0.04 0.01 1.19 -0.94 0.41 0.00 0.00 173.24 173.94 1sku s SER 123 N 1.33 3.79 -0.04 2.44 1.04 -1.26 -4.82 113.70 116.17 1sku s SER 123 Ca 0.05 2.29 -0.03 0.00 0.48 0.00 0.00 55.95 58.73 1sku s SER 123 Cb -0.15 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.41 1sku s SER 123 CO 0.03 -2.53 0.11 -0.55 0.98 0.00 0.00 173.24 171.28 1sku s SER 124 N -2.29 -0.10 -0.25 7.02 0.15 -1.26 -2.78 113.70 114.19 1sku s SER 124 Ca 0.71 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 57.56 1sku s SER 124 Cb -0.27 0.19 0.12 0.00 -1.71 0.00 0.00 66.02 64.35 1sku s SER 124 CO 0.50 -0.06 0.27 -0.36 1.20 0.00 0.00 173.24 174.79 1sku s PHE 125 N 0.34 -0.42 0.81 3.44 0.40 -0.87 -3.24 117.98 118.45 1sku s PHE 125 Ca -0.02 0.09 -0.11 0.00 -0.60 0.00 0.00 56.93 56.29 1sku s PHE 125 Cb -0.04 -0.37 0.08 0.00 0.51 0.00 0.00 43.02 43.20 1sku s PHE 125 CO -0.01 -0.77 1.11 0.00 0.70 0.00 0.00 175.22 176.25 1sku s ALA 126 N 2.37 2.03 -0.07 5.36 0.00 -0.80 -1.64 121.76 129.00 1sku s ALA 126 Ca 0.09 0.39 -0.06 0.00 0.00 0.00 0.00 51.96 52.38 1sku s ALA 126 Cb -0.15 -3.33 0.02 0.00 0.00 0.00 0.00 23.12 19.66 1sku s ALA 126 CO -0.23 -2.04 0.19 0.54 0.00 0.00 0.00 175.76 174.22 1sku s VAL 127 N -2.78 -0.00 0.01 0.00 0.11 -1.18 -1.75 120.40 114.80 1sku s VAL 127 Ca 0.63 0.02 -0.01 0.00 -2.93 0.00 0.00 61.98 59.69 1sku s VAL 127 Cb -0.19 -0.28 -0.01 0.00 -1.53 0.00 0.00 36.38 34.37 1sku s VAL 127 CO 0.56 0.01 0.00 0.00 -3.33 0.00 0.00 175.10 172.34 1sku s ARG 128 N 0.22 0.20 0.77 1.54 3.03 -1.23 -4.83 118.95 118.64 1sku s ARG 128 Ca -0.01 -0.32 -0.11 0.00 2.03 0.00 0.00 55.73 57.32 1sku s ARG 128 Cb -0.02 0.07 0.05 0.00 -1.03 0.00 0.00 34.95 34.03 1sku s ARG 128 CO -0.01 -0.03 1.10 0.15 -1.13 0.00 0.00 175.30 175.38 1sku s LYS 129 N -0.82 2.25 -0.43 3.89 -0.14 -1.26 -2.48 119.74 120.74 1sku s LYS 129 Ca -0.09 1.23 0.03 0.00 -1.36 0.00 0.00 55.97 55.78 1sku s LYS 129 Cb -0.06 -1.89 0.26 0.00 -1.68 0.00 0.00 37.83 34.46 1sku s LYS 129 CO -0.00 -1.66 1.04 0.54 -0.76 0.00 0.00 175.35 174.51 1sku n ARG 130 N -3.41 0.56 -3.20 1.68 1.74 0.54 -4.85 116.66 109.72 1sku n ARG 130 Ca 0.09 -1.37 -0.10 0.00 -0.77 0.00 0.00 57.85 55.71 1sku n ARG 130 Cb 0.53 -0.98 0.01 0.00 -1.02 0.00 0.00 32.46 30.99 1sku n ARG 130 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1sku n ALA 131 N 1.47 -2.65 -0.90 7.54 0.00 -1.26 -2.75 120.51 121.96 1sku n ALA 131 Ca 0.06 0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.71 1sku n ALA 131 Cb 0.67 -1.87 0.00 0.00 0.00 0.00 0.00 19.45 18.24 1sku n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1sku n ASN 132 N -1.52 -3.12 -0.62 0.00 2.85 -1.26 -4.93 115.26 106.67 1sku n ASN 132 Ca -0.05 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.42 1sku n ASN 132 Cb 0.55 -2.01 0.00 0.00 1.24 0.00 0.00 39.78 39.56 1sku n ASN 132 CO 0.00 0.00 0.00 -0.90 -2.11 0.00 0.00 177.26 174.25 1sku n ASP 133 N -0.39 0.00 -3.99 1.20 5.75 -1.11 -5.20 116.55 112.81 1sku n ASP 133 Ca 0.00 -0.62 -0.12 0.00 -0.01 0.00 0.00 54.79 54.04 1sku n ASP 133 Cb 0.19 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.20 1sku n ASP 133 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 1sku s ILE 134 N -2.15 0.00 -0.21 2.12 -4.36 -1.26 -0.34 121.20 115.00 1sku s ILE 134 Ca 0.00 -1.80 -0.03 0.00 -0.26 0.00 0.00 60.65 58.56 1sku s ILE 134 Cb 0.00 -2.43 0.06 0.00 1.25 0.00 0.00 42.46 41.35 1sku s ILE 134 CO 0.00 0.00 0.04 0.00 0.24 0.00 0.00 174.94 175.22 1sku s ALA 135 N -3.97 1.04 -0.61 2.27 0.00 -1.03 -2.83 121.76 116.63 1sku s ALA 135 Ca 0.34 -0.80 -0.23 0.00 0.00 0.00 0.00 51.96 51.27 1sku s ALA 135 Cb 0.04 -1.23 0.06 0.00 0.00 0.00 0.00 23.12 21.99 1sku s ALA 135 CO 0.13 -1.24 0.92 -0.51 0.00 0.00 0.00 175.76 175.07 1sku s LEU 136 N 1.85 4.35 0.46 0.00 1.43 -0.72 -3.57 118.68 122.48 1sku s LEU 136 Ca 0.00 -0.76 -0.20 0.00 -1.03 0.00 0.00 54.13 52.14 1sku s LEU 136 Cb -0.17 -2.56 -0.10 0.00 0.03 0.00 0.00 46.19 43.39 1sku s LEU 136 CO -0.10 -1.31 0.97 -0.75 0.23 0.00 0.00 176.35 175.38 1sku s LYS 137 N 3.87 4.11 0.12 1.70 2.20 -0.72 -3.20 119.74 127.81 1sku s LYS 137 Ca 0.24 1.09 -0.08 0.00 -0.36 0.00 0.00 55.97 56.86 1sku s LYS 137 Cb -0.16 -2.16 -0.06 0.00 -1.51 0.00 0.00 37.83 33.95 1sku s LYS 137 CO 0.13 -0.14 0.40 0.00 -0.36 0.00 0.00 175.35 175.39 1sku h LYS 139 N 3.24 0.00 0.00 0.00 3.64 -1.95 -2.87 116.57 118.64 1sku h LYS 139 Ca -0.48 0.00 -0.17 0.00 -1.27 0.00 0.00 60.65 58.73 1sku h LYS 139 Cb 1.18 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.97 1sku h LYS 139 CO 0.69 0.59 -1.51 0.66 -2.27 0.00 0.00 179.45 177.61 1sku n TYR 140 N -3.26 0.10 0.00 1.91 4.01 -1.26 -4.52 117.16 114.15 1sku n TYR 140 Ca 0.02 0.04 -0.03 0.00 -0.16 0.00 0.00 57.90 57.77 1sku n TYR 140 Cb 0.77 -0.71 0.20 0.00 -0.31 0.00 0.00 39.34 39.29 1sku n TYR 140 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1sku n GLU 142 N -4.14 -5.13 -4.29 0.00 1.02 -1.08 -4.99 120.64 102.03 1sku n GLU 142 Ca -0.00 0.75 -0.33 0.00 -0.02 0.00 0.00 57.16 57.56 1sku n GLU 142 Cb 0.39 -5.62 -0.15 0.00 -0.02 0.00 0.00 31.44 26.03 1sku n GLU 142 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1sku s LYS 143 N -6.00 3.13 -0.32 3.49 3.01 -1.26 -4.91 119.74 116.87 1sku s LYS 143 Ca 0.42 -0.77 -0.28 0.00 -1.01 0.00 0.00 55.97 54.33 1sku s LYS 143 Cb -0.20 -2.64 0.01 0.00 -1.01 0.00 0.00 37.83 33.99 1sku s LYS 143 CO 0.52 -0.11 1.01 -2.00 0.51 0.00 0.00 175.35 175.28 1sku s GLU 144 N 1.11 4.02 0.23 1.68 2.12 -1.26 -3.57 118.70 123.03 1sku s GLU 144 Ca 0.00 0.93 0.07 0.00 0.36 0.00 0.00 54.97 56.33 1sku s GLU 144 Cb -0.14 -3.74 -0.04 0.00 0.26 0.00 0.00 34.13 30.47 1sku s GLU 144 CO -0.06 -0.87 0.13 -0.06 -0.54 0.00 0.00 175.26 173.87 1sku s PHE 145 N 3.51 3.02 0.68 5.30 0.08 -1.20 -4.98 117.98 124.39 1sku s PHE 145 Ca 0.42 -0.12 -0.12 0.00 0.12 0.00 0.00 56.93 57.23 1sku s PHE 145 Cb -0.12 -1.38 0.00 0.00 -0.57 0.00 0.00 43.02 40.95 1sku s PHE 145 CO 0.15 0.54 1.06 0.45 -0.10 0.00 0.00 175.22 177.32 1sku s SER 146 N -3.61 5.39 -0.12 1.36 0.15 -1.26 -1.76 113.70 113.85 1sku s SER 146 Ca 0.32 1.69 0.06 0.00 0.70 0.00 0.00 55.95 58.72 1sku s SER 146 Cb -0.08 -2.51 0.37 0.00 -1.71 0.00 0.00 66.02 62.09 1sku s SER 146 CO 0.23 -1.43 1.11 0.00 1.20 0.00 0.00 173.24 174.35 1sku n HIS 147 N -2.89 1.01 -0.02 3.44 1.44 -1.13 -4.16 115.22 112.91 1sku n HIS 147 Ca 0.08 -0.41 -0.03 0.00 -2.01 0.00 0.00 57.72 55.35 1sku n HIS 147 Cb 0.53 -0.32 -0.02 0.00 0.12 0.00 0.00 29.99 30.30 1sku n HIS 147 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 1sku n ASN 148 N 0.23 3.64 0.10 4.39 2.85 -1.26 -4.59 115.26 120.63 1sku n ASN 148 Ca 0.14 -0.02 0.13 0.00 -0.11 0.00 0.00 54.58 54.71 1sku n ASN 148 Cb 0.72 -0.07 0.45 0.00 1.24 0.00 0.00 39.78 42.12 1sku n ASN 148 CO 0.00 0.00 0.00 1.33 -2.11 0.00 0.00 177.26 176.48 1sku n VAL 149 N -2.63 0.65 0.09 3.44 0.24 -1.26 -2.98 118.33 115.87 1sku n VAL 149 Ca -0.08 -0.07 -0.05 0.00 -2.04 0.00 0.00 64.34 62.10 1sku n VAL 149 Cb 0.58 -0.79 0.10 0.00 -1.47 0.00 0.00 33.84 32.26 1sku n VAL 149 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1sku h VAL 150 N 0.00 1.41 0.00 3.34 2.07 -1.82 -3.08 116.25 118.17 1sku h VAL 150 Ca 0.00 -2.11 -0.01 0.00 0.82 0.00 0.00 66.70 65.40 1sku h VAL 150 Cb 0.58 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.44 1sku h VAL 150 CO 0.00 0.62 -0.05 -0.07 0.02 0.00 0.00 177.57 178.09 1sku h LEU 151 N 0.15 0.00 -0.00 2.57 3.38 -1.78 -3.13 115.31 116.50 1sku h LEU 151 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1sku h LEU 151 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 1sku h LEU 151 CO 0.10 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.68 1sku h ALA 152 N 1.95 1.00 -0.03 1.53 0.00 -1.65 -3.53 119.26 118.53 1sku h ALA 152 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1sku h ALA 152 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1sku h ALA 152 CO 0.01 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.35