#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco s GLY 2 N 0.00 -0.53 -0.07 3.17 0.00 -1.26 -5.17 107.32 103.45 2kco s GLY 2 Ca 0.00 1.73 -0.11 0.00 0.00 0.00 0.00 44.72 46.34 2kco s GLY 2 CO 0.00 1.43 0.27 -0.11 0.00 0.00 0.00 173.10 174.69 2kco s PHE 3 N -0.16 -0.24 -0.13 1.90 -0.71 -1.26 -5.17 117.98 112.23 2kco s PHE 3 Ca -0.04 0.53 -0.01 0.00 -1.04 0.00 0.00 56.93 56.37 2kco s PHE 3 Cb -0.03 0.08 0.04 0.00 -1.21 0.00 0.00 43.02 41.90 2kco s PHE 3 CO 0.04 -0.23 -0.03 0.71 -1.34 0.00 0.00 175.22 174.38 2kco s TYR 4 N -0.40 1.19 -0.29 3.49 2.02 -1.26 -5.11 117.35 116.99 2kco s TYR 4 Ca -0.05 -0.66 -0.29 0.00 -0.37 0.00 0.00 57.07 55.70 2kco s TYR 4 Cb -0.03 -1.08 -0.02 0.00 -0.40 0.00 0.00 41.96 40.43 2kco s TYR 4 CO 0.01 -0.49 1.60 -1.14 -1.57 0.00 0.00 175.55 173.96 2kco s GLN 5 N 1.80 3.65 0.74 -0.62 2.00 -1.26 -5.01 119.66 120.97 2kco s GLN 5 Ca 0.03 1.44 -0.12 0.00 -2.00 0.00 0.00 55.36 54.71 2kco s GLN 5 Cb -0.14 -4.06 0.04 0.00 0.80 0.00 0.00 33.01 29.65 2kco s GLN 5 CO -0.07 -1.47 1.11 0.20 -0.50 0.00 0.00 175.29 174.56 2kco s GLY 6 N 4.52 1.87 0.34 2.59 0.00 -1.26 -4.98 107.32 110.40 2kco s GLY 6 Ca 0.70 0.41 -0.29 0.00 0.00 0.00 0.00 44.72 45.55 2kco s GLY 6 CO 0.30 0.76 1.45 2.56 0.00 0.00 0.00 173.10 178.18 2kco s PRO 7 N -4.57 4.19 0.18 2.90 0.04 -1.26 -5.04 135.00 131.43 2kco s PRO 7 Ca 0.64 2.46 0.02 0.00 0.04 0.00 0.00 61.00 64.16 2kco s PRO 7 Cb -0.19 -3.02 0.02 0.00 0.04 0.00 0.00 34.50 31.35 2kco s PRO 7 CO 0.51 -0.45 0.18 -0.40 0.04 0.00 0.00 177.00 176.88 2kco n ASP 8 N 1.01 1.16 -4.57 6.66 5.75 -1.26 -5.02 116.55 120.28 2kco n ASP 8 Ca 0.02 -1.55 -0.36 0.00 -0.01 0.00 0.00 54.79 52.89 2kco n ASP 8 Cb 0.40 -0.07 -0.03 0.00 -1.03 0.00 0.00 41.12 40.39 2kco n ASP 8 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2kco s ASN 9 N -2.08 6.02 0.19 -1.12 0.01 -1.26 -4.98 114.94 111.73 2kco s ASN 9 Ca 0.14 -1.60 -0.30 0.00 -0.71 0.00 0.00 52.86 50.39 2kco s ASN 9 Cb -0.01 -2.57 -0.08 0.00 0.41 0.00 0.00 41.25 38.99 2kco s ASN 9 CO 0.09 -1.98 1.24 -0.13 -1.51 0.00 0.00 177.10 174.80 2kco s ARG 10 N 5.49 4.46 -0.50 -0.60 0.52 -1.26 -4.94 118.95 122.12 2kco s ARG 10 Ca 0.58 1.94 -0.28 0.00 -0.52 0.00 0.00 55.73 57.44 2kco s ARG 10 Cb -0.00 -3.22 0.01 0.00 0.52 0.00 0.00 34.95 32.26 2kco s ARG 10 CO 0.01 -0.14 1.41 0.15 0.02 0.00 0.00 175.30 176.75 2kco s LYS 11 N -0.24 3.41 0.57 3.54 -0.14 -1.26 -5.02 119.74 120.61 2kco s LYS 11 Ca 0.54 0.65 -0.07 0.00 -1.36 0.00 0.00 55.97 55.73 2kco s LYS 11 Cb -0.34 -4.08 -0.01 0.00 -1.68 0.00 0.00 37.83 31.72 2kco s LYS 11 CO 0.38 -1.78 0.89 0.96 -0.76 0.00 0.00 175.35 175.04 2kco s ILE 12 N 5.79 4.09 0.30 2.17 -5.25 -1.26 -5.12 121.20 121.92 2kco s ILE 12 Ca 0.56 0.17 -0.20 0.00 -0.99 0.00 0.00 60.65 60.19 2kco s ILE 12 Cb -0.12 -3.61 0.03 0.00 2.95 0.00 0.00 42.46 41.72 2kco s ILE 12 CO 0.28 -0.65 0.75 0.28 -1.79 0.00 0.00 174.94 173.82 2kco s THR 13 N -2.97 0.00 -0.30 8.37 -1.32 -1.26 -5.18 115.64 112.99 2kco s THR 13 Ca 0.52 -0.98 -0.14 0.00 -1.21 0.00 0.00 61.69 59.88 2kco s THR 13 Cb -0.11 -2.23 0.15 0.00 -1.51 0.00 0.00 72.50 68.81 2kco s THR 13 CO 0.46 0.00 0.92 -0.83 -2.21 0.00 0.00 174.62 172.96 2kco s GLY 14 N -2.96 -0.27 0.53 6.08 0.00 -1.26 -5.17 107.32 104.27 2kco s GLY 14 Ca 0.12 2.92 -0.20 0.00 0.00 0.00 0.00 44.72 47.57 2kco s GLY 14 CO 0.08 3.06 1.12 -0.32 0.00 0.00 0.00 173.10 177.03 2kco s GLY 15 N 2.29 2.63 -0.47 0.20 0.00 -1.26 -5.03 107.32 105.68 2kco s GLY 15 Ca -0.05 0.80 0.06 0.00 0.00 0.00 0.00 44.72 45.53 2kco s GLY 15 CO -0.17 1.16 0.67 -0.10 0.00 0.00 0.00 173.10 174.66 2kco n LEU 16 N -1.17 -2.27 -4.79 0.66 7.94 -1.26 -5.14 117.00 110.97 2kco n LEU 16 Ca 0.11 -3.54 -0.36 0.00 -1.11 0.00 0.00 56.01 51.11 2kco n LEU 16 Cb 0.51 0.73 -0.07 0.00 0.53 0.00 0.00 43.42 45.12 2kco n LEU 16 CO 0.42 1.96 0.64 -0.75 -1.11 0.00 0.00 177.39 178.56 2kco s LYS 17 N 0.40 4.51 0.00 1.96 2.20 -1.26 -5.09 119.74 122.46 2kco s LYS 17 Ca 0.32 1.28 0.00 0.00 -0.36 0.00 0.00 55.97 57.20 2kco s LYS 17 Cb 0.10 -2.68 0.00 0.00 -1.51 0.00 0.00 37.83 33.74 2kco s LYS 17 CO -0.14 0.22 0.00 0.41 -0.36 0.00 0.00 175.35 175.48 2kco n GLY 18 N 0.33 1.03 3.47 5.54 0.00 -1.26 -5.15 105.19 109.15 2kco n GLY 18 Ca 0.03 -1.42 -0.09 0.00 0.00 0.00 0.00 46.02 44.54 2kco n GLY 18 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kco s LYS 19 N 0.72 1.35 -0.11 1.61 -2.85 -1.26 -5.14 119.74 114.07 2kco s LYS 19 Ca 0.00 -1.15 -0.30 0.00 -1.00 0.00 0.00 55.97 53.52 2kco s LYS 19 Cb 0.00 0.44 -0.02 0.00 -2.06 0.00 0.00 37.83 36.19 2kco s LYS 19 CO 0.00 -0.54 1.11 -1.58 0.10 0.00 0.00 175.35 174.44 2kco s HIS 20 N -3.97 3.30 -0.89 1.78 5.65 -1.26 -4.97 115.29 114.94 2kco s HIS 20 Ca 0.18 1.38 -0.25 0.00 0.25 0.00 0.00 55.06 56.62 2kco s HIS 20 Cb 0.01 -3.32 -0.03 0.00 -1.18 0.00 0.00 32.58 28.06 2kco s HIS 20 CO 0.03 -0.82 1.84 0.50 -0.65 0.00 0.00 174.74 175.64 2kco s ARG 21 N 2.38 2.76 -0.08 2.88 6.06 -1.26 -4.96 118.95 126.73 2kco s ARG 21 Ca 0.51 -0.34 -0.05 0.00 -2.50 0.00 0.00 55.73 53.35 2kco s ARG 21 Cb -0.21 -5.03 -0.04 0.00 0.06 0.00 0.00 34.95 29.74 2kco s ARG 21 CO 0.18 -3.08 0.13 -0.51 -2.50 0.00 0.00 175.30 169.51 2kco s ASP 22 N 7.40 6.17 0.14 -2.12 1.01 -1.26 -5.12 116.67 122.89 2kco s ASP 22 Ca 0.65 0.37 -0.07 0.00 0.71 0.00 0.00 52.55 54.21 2kco s ASP 22 Cb -0.06 -1.94 -0.01 0.00 1.01 0.00 0.00 42.92 41.92 2kco s ASP 22 CO 0.00 0.36 0.21 -1.59 0.21 0.00 0.00 175.17 174.36 2kco s LYS 23 N -1.28 1.03 -0.22 8.23 0.00 -1.26 -5.16 119.74 121.09 2kco s LYS 23 Ca 0.18 -1.19 0.01 0.00 0.00 0.00 0.00 55.97 54.97 2kco s LYS 23 Cb -0.12 0.34 0.05 0.00 0.00 0.00 0.00 37.83 38.10 2kco s LYS 23 CO 0.08 -0.35 -0.08 0.50 0.00 0.00 0.00 175.35 175.51 2kco s ARG 24 N -3.96 1.81 0.56 1.78 6.06 -1.26 -5.13 118.95 118.81 2kco s ARG 24 Ca 0.16 -0.91 0.01 0.00 -2.50 0.00 0.00 55.73 52.49 2kco s ARG 24 Cb 0.05 -2.48 0.11 0.00 0.06 0.00 0.00 34.95 32.68 2kco s ARG 24 CO -0.02 -0.51 0.77 0.36 -2.50 0.00 0.00 175.30 173.40 2kco n LYS 25 N 4.68 0.16 -2.51 5.12 -0.00 -1.26 -5.08 118.16 119.28 2kco n LYS 25 Ca -0.13 -2.25 -0.42 0.00 -0.00 0.00 0.00 58.31 55.50 2kco n LYS 25 Cb 0.45 -0.47 -0.03 0.00 -0.00 0.00 0.00 35.03 34.98 2kco n LYS 25 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.40 178.92 2kco s TYR 26 N -2.33 3.51 0.24 5.58 1.13 -1.26 -5.02 117.35 119.20 2kco s TYR 26 Ca 0.52 1.44 -0.30 0.00 -1.41 0.00 0.00 57.07 57.32 2kco s TYR 26 Cb -0.03 -3.33 -0.09 0.00 -1.10 0.00 0.00 41.96 37.41 2kco s TYR 26 CO 0.35 -0.87 1.17 -1.21 -2.51 0.00 0.00 175.55 172.47 2kco s GLU 27 N 0.91 4.53 0.22 -3.49 0.41 -1.26 -5.00 118.70 115.03 2kco s GLU 27 Ca 0.56 1.89 -0.30 0.00 -0.41 0.00 0.00 54.97 56.70 2kco s GLU 27 Cb -0.27 -3.20 -0.09 0.00 -1.78 0.00 0.00 34.13 28.78 2kco s GLU 27 CO 0.29 0.02 1.39 0.42 -0.49 0.00 0.00 175.26 176.88 2kco s ILE 28 N -0.59 2.90 -0.65 -1.63 1.01 -1.26 -5.00 121.20 115.97 2kco s ILE 28 Ca 0.49 0.75 0.05 0.00 0.00 0.00 0.00 60.65 61.93 2kco s ILE 28 Cb -0.33 -3.48 0.16 0.00 0.01 0.00 0.00 42.46 38.82 2kco s ILE 28 CO 0.40 0.11 0.44 -0.83 0.00 0.00 0.00 174.94 175.07 2kco s GLY 29 N 0.37 2.74 0.79 6.18 0.00 -1.26 -5.12 107.32 111.03 2kco s GLY 29 Ca 0.58 -3.65 -0.10 0.00 0.00 0.00 0.00 44.72 41.55 2kco s GLY 29 CO 0.41 1.13 1.10 0.54 0.00 0.00 0.00 173.10 176.28 2kco s ASN 30 N -1.14 4.26 -0.45 1.64 4.22 -1.26 -4.93 114.94 117.27 2kco s ASN 30 Ca 0.24 1.87 -0.31 0.00 -2.14 0.00 0.00 52.86 52.52 2kco s ASN 30 Cb -0.08 -2.52 -0.11 0.00 1.28 0.00 0.00 41.25 39.82 2kco s ASN 30 CO -0.14 -2.20 2.33 -2.65 -2.04 0.00 0.00 177.10 172.40 2kco n PRO 31 N -3.63 1.06 0.01 3.55 -0.02 -1.26 -4.85 135.00 129.86 2kco n PRO 31 Ca 0.09 0.21 0.14 0.00 -2.02 0.00 0.00 63.50 61.92 2kco n PRO 31 Cb 0.53 -2.73 0.54 0.00 -0.02 0.00 0.00 33.50 31.82 2kco n PRO 31 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2kco n PRO 32 N 8.56 0.03 -3.62 0.52 -0.04 -1.26 -4.87 135.00 134.32 2kco n PRO 32 Ca 0.42 0.02 -0.12 0.00 -0.04 0.00 0.00 63.50 63.78 2kco n PRO 32 Cb 0.33 -1.53 -0.05 0.00 -0.04 0.00 0.00 33.50 32.20 2kco n PRO 32 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2kco s THR 33 N -3.01 0.05 0.12 0.52 -1.32 -1.26 -5.19 115.64 105.55 2kco s THR 33 Ca 0.13 -0.44 0.04 0.00 -1.21 0.00 0.00 61.69 60.21 2kco s THR 33 Cb 0.18 -1.05 -0.04 0.00 -1.51 0.00 0.00 72.50 70.08 2kco s THR 33 CO 0.56 -0.24 -0.09 -0.36 -2.21 0.00 0.00 174.62 172.28 2kco s PHE 34 N -3.14 1.13 0.26 9.09 0.08 -1.26 -5.18 117.98 118.96 2kco s PHE 34 Ca -0.01 -0.76 0.07 0.00 0.12 0.00 0.00 56.93 56.35 2kco s PHE 34 Cb 0.00 -0.60 -0.04 0.00 -0.57 0.00 0.00 43.02 41.82 2kco s PHE 34 CO -0.07 0.01 0.19 -0.08 -0.10 0.00 0.00 175.22 175.17 2kco s THR 35 N -3.13 4.36 0.60 0.64 -1.32 -1.26 -5.15 115.64 110.37 2kco s THR 35 Ca 0.12 -1.43 0.04 0.00 -1.21 0.00 0.00 61.69 59.22 2kco s THR 35 Cb 0.02 -3.37 0.08 0.00 -1.51 0.00 0.00 72.50 67.72 2kco s THR 35 CO -0.01 -0.34 0.83 0.42 -2.21 0.00 0.00 174.62 173.31 2kco s THR 36 N -2.15 2.37 0.70 5.08 -4.23 -1.26 -5.13 115.64 111.01 2kco s THR 36 Ca 0.33 -0.79 -0.10 0.00 -1.18 0.00 0.00 61.69 59.96 2kco s THR 36 Cb -0.08 -2.58 0.03 0.00 1.34 0.00 0.00 72.50 71.21 2kco s THR 36 CO 0.25 0.00 1.06 -1.48 -0.54 0.00 0.00 174.62 173.91 2kco s LEU 37 N -4.81 2.90 0.00 4.79 0.05 -1.26 -5.03 118.68 115.32 2kco s LEU 37 Ca 0.62 0.90 0.08 0.00 0.05 0.00 0.00 54.13 55.78 2kco s LEU 37 Cb -0.07 -3.64 0.14 0.00 -2.05 0.00 0.00 46.19 40.57 2kco s LEU 37 CO 0.40 -1.40 0.95 -1.54 -0.55 0.00 0.00 176.35 174.20 2kco n SER 38 N -2.95 2.12 -0.18 1.48 3.41 -1.26 -4.62 113.62 111.62 2kco n SER 38 Ca 0.07 -1.63 -0.00 0.00 -0.26 0.00 0.00 58.87 57.04 2kco n SER 38 Cb 0.58 -0.07 0.24 0.00 -0.26 0.00 0.00 64.21 64.69 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kco h ALA 39 N 1.58 1.39 0.00 7.33 0.00 -2.01 -2.44 119.26 125.11 2kco h ALA 39 Ca 0.00 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 54.78 2kco h ALA 39 Cb 0.49 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 2kco h ALA 39 CO 0.00 0.50 -0.16 0.93 0.00 0.00 0.00 179.25 180.52 2kco h GLU 40 N 0.93 0.00 -0.21 0.00 5.08 -1.99 -1.92 114.58 116.48 2kco h GLU 40 Ca 0.24 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.48 2kco h GLU 40 Cb 0.01 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2kco h GLU 40 CO -0.04 0.16 -0.39 0.22 -1.00 0.00 0.00 179.01 177.96 2kco h ASP 41 N 0.00 0.49 -0.23 1.42 3.58 -1.76 -0.82 116.42 119.10 2kco h ASP 41 Ca -0.00 -0.21 -0.18 0.00 0.42 0.00 0.00 57.03 57.06 2kco h ASP 41 Cb 0.31 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.23 2kco h ASP 41 CO 0.02 0.83 -0.54 0.40 -2.88 0.00 0.00 179.24 177.07 2kco h ILE 42 N 0.39 1.28 -0.04 2.25 2.04 -1.38 -2.70 117.51 119.34 2kco h ILE 42 Ca 0.04 -1.74 -0.12 0.00 1.00 0.00 0.00 64.86 64.04 2kco h ILE 42 Cb 0.86 1.64 -0.01 0.00 -0.74 0.00 0.00 36.82 38.57 2kco h ILE 42 CO 0.07 0.56 -0.50 0.03 0.00 0.00 0.00 178.15 178.31 2kco h ARG 43 N 0.63 0.12 0.05 2.37 3.08 -1.19 -1.47 114.38 117.96 2kco h ARG 43 Ca 0.01 -0.06 -0.24 0.00 0.07 0.00 0.00 59.98 59.76 2kco h ARG 43 Cb 1.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2kco h ARG 43 CO 0.12 0.59 -1.04 0.97 -1.07 0.00 0.00 179.97 179.54 2kco h ILE 44 N 0.09 1.45 0.00 2.04 6.09 -1.18 0.49 117.51 126.50 2kco h ILE 44 Ca 0.00 -2.68 -0.03 0.00 -1.37 0.00 0.00 64.86 60.78 2kco h ILE 44 Cb 0.92 2.61 -0.00 0.00 0.47 0.00 0.00 36.82 40.82 2kco h ILE 44 CO 0.07 0.79 -0.15 0.50 -3.07 0.00 0.00 178.15 176.30 2kco h LYS 45 N 0.16 0.00 0.00 2.19 3.64 -1.33 -2.76 116.57 118.47 2kco h LYS 45 Ca -0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 2kco h LYS 45 Cb 1.71 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.53 2kco h LYS 45 CO 0.17 0.15 -1.06 -3.47 -2.27 0.00 0.00 179.45 172.97 2kco n ASP 46 N -4.18 0.64 0.00 4.20 2.03 -0.57 -3.17 116.55 115.50 2kco n ASP 46 Ca -0.02 0.04 -0.03 0.00 0.52 0.00 0.00 54.79 55.30 2kco n ASP 46 Cb 0.22 0.71 0.21 0.00 -0.72 0.00 0.00 41.12 41.55 2kco n ASP 46 CO 0.00 0.00 0.00 0.08 -1.92 0.00 0.00 177.20 175.36 2kco h ARG 47 N 0.00 0.52 -0.15 -0.67 0.11 -0.61 -2.63 114.38 110.94 2kco h ARG 47 Ca 0.00 -0.18 -0.06 0.00 0.10 0.00 0.00 59.98 59.84 2kco h ARG 47 Cb 0.85 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 31.88 2kco h ARG 47 CO 0.00 0.69 -0.19 1.15 0.10 0.00 0.00 179.97 181.72 2kco h THR 48 N 0.47 1.21 -2.22 0.08 2.02 -1.56 -3.42 112.91 109.49 2kco h THR 48 Ca 0.08 -0.98 -0.54 0.00 0.77 0.00 0.00 66.41 65.74 2kco h THR 48 Cb 0.60 1.31 -0.02 0.00 -1.74 0.00 0.00 68.15 68.31 2kco h THR 48 CO 0.04 0.30 1.38 -0.22 0.37 0.00 0.00 175.52 177.39 2kco s LEU 49 N -8.65 3.42 0.00 2.58 1.98 -0.99 -4.97 118.68 112.04 2kco s LEU 49 Ca -0.05 1.03 0.00 0.00 -2.89 0.00 0.00 54.13 52.22 2kco s LEU 49 Cb 0.15 -3.05 0.00 0.00 0.66 0.00 0.00 46.19 43.95 2kco s LEU 49 CO 0.74 -2.13 0.00 0.61 -1.89 0.00 0.00 176.35 173.68 2kco n GLY 50 N 5.64 1.45 0.00 7.98 0.00 -1.26 -4.99 105.19 114.01 2kco n GLY 50 Ca 0.25 -1.89 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2kco n GLY 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kco n GLY 51 N 5.00 0.00 3.72 -0.02 0.00 -1.26 -5.15 105.19 107.48 2kco n GLY 51 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2kco n GLY 51 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s ASN 52 N 0.00 7.43 0.61 1.61 4.22 -1.26 -5.05 114.94 122.50 2kco s ASN 52 Ca 0.00 1.73 -0.14 0.00 -2.14 0.00 0.00 52.86 52.31 2kco s ASN 52 Cb 0.00 -2.58 -0.03 0.00 1.28 0.00 0.00 41.25 39.92 2kco s ASN 52 CO 0.00 -0.17 1.04 -0.36 -2.04 0.00 0.00 177.10 175.57 2kco s PHE 53 N 0.54 3.22 0.35 1.54 0.08 -1.26 -5.06 117.98 117.39 2kco s PHE 53 Ca 0.50 1.44 -0.22 0.00 0.12 0.00 0.00 56.93 58.77 2kco s PHE 53 Cb -0.22 -2.88 -0.10 0.00 -0.57 0.00 0.00 43.02 39.25 2kco s PHE 53 CO 0.29 -0.93 0.90 0.21 -0.10 0.00 0.00 175.22 175.58 2kco s LYS 54 N -4.55 4.34 0.49 0.44 2.47 -1.26 -5.04 119.74 116.63 2kco s LYS 54 Ca 0.60 1.12 -0.23 0.00 -1.56 0.00 0.00 55.97 55.89 2kco s LYS 54 Cb -0.13 -2.52 -0.07 0.00 -1.46 0.00 0.00 37.83 33.65 2kco s LYS 54 CO 0.44 0.16 1.35 0.14 0.16 0.00 0.00 175.35 177.59 2kco s VAL 55 N -1.87 2.27 0.28 4.02 -7.23 -1.26 -4.98 120.40 111.63 2kco s VAL 55 Ca 0.54 0.22 -0.29 0.00 -1.81 0.00 0.00 61.98 60.64 2kco s VAL 55 Cb -0.14 -3.12 -0.09 0.00 0.56 0.00 0.00 36.38 33.59 2kco s VAL 55 CO 0.18 0.01 1.08 -0.60 -0.31 0.00 0.00 175.10 175.47 2kco s ARG 56 N -2.66 4.63 -0.25 4.82 6.06 -1.26 -5.00 118.95 125.29 2kco s ARG 56 Ca 0.66 1.77 -0.29 0.00 -2.50 0.00 0.00 55.73 55.36 2kco s ARG 56 Cb -0.40 -3.16 -0.01 0.00 0.06 0.00 0.00 34.95 31.45 2kco s ARG 56 CO 0.49 0.22 1.35 -1.17 -2.50 0.00 0.00 175.30 173.68 2kco s LEU 57 N -1.49 3.96 0.88 -0.88 2.96 -1.26 -5.04 118.68 117.81 2kco s LEU 57 Ca 0.45 1.40 -0.13 0.00 -0.22 0.00 0.00 54.13 55.63 2kco s LEU 57 Cb -0.31 -3.54 0.12 0.00 0.50 0.00 0.00 46.19 42.97 2kco s LEU 57 CO 0.40 -1.03 1.18 -0.54 -1.32 0.00 0.00 176.35 175.04 2kco s LYS 58 N 4.09 1.38 -0.78 1.98 3.01 -1.26 -4.99 119.74 123.17 2kco s LYS 58 Ca 0.58 0.10 -0.26 0.00 -1.01 0.00 0.00 55.97 55.38 2kco s LYS 58 Cb -0.19 -1.88 0.03 0.00 -1.01 0.00 0.00 37.83 34.78 2kco s LYS 58 CO 0.22 -2.00 1.29 0.71 0.51 0.00 0.00 175.35 176.09 2kco s TYR 59 N -3.49 2.34 0.56 3.18 2.02 -1.26 -5.02 117.35 115.67 2kco s TYR 59 Ca 0.65 -0.19 -0.19 0.00 -0.37 0.00 0.00 57.07 56.97 2kco s TYR 59 Cb -0.11 -4.63 -0.05 0.00 -0.40 0.00 0.00 41.96 36.77 2kco s TYR 59 CO 0.51 -2.04 1.14 0.99 -1.57 0.00 0.00 175.55 174.58 2kco s THR 60 N 5.55 3.10 0.09 -0.71 2.01 -1.26 -4.98 115.64 119.44 2kco s THR 60 Ca 0.36 0.67 -0.32 0.00 0.31 0.00 0.00 61.69 62.72 2kco s THR 60 Cb -0.07 -3.26 -0.11 0.00 0.01 0.00 0.00 72.50 69.07 2kco s THR 60 CO 0.11 -0.16 1.84 0.41 -0.69 0.00 0.00 174.62 176.13 2kco n THR 61 N -1.42 0.41 -4.39 -0.82 -1.04 -1.26 -4.95 114.28 100.82 2kco n THR 61 Ca 0.12 -0.07 -0.20 0.00 -2.04 0.00 0.00 64.05 61.85 2kco n THR 61 Cb 0.51 -2.08 -0.10 0.00 -1.82 0.00 0.00 70.33 66.84 2kco n THR 61 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2kco s THR 62 N 2.96 1.85 0.08 12.58 2.01 -0.94 -4.24 115.64 129.94 2kco s THR 62 Ca 0.84 -2.23 0.10 0.00 0.31 0.00 0.00 61.69 60.71 2kco s THR 62 Cb -0.51 -2.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.78 2kco s THR 62 CO 0.39 -0.49 -0.27 0.00 -0.69 0.00 0.00 174.62 173.56 2kco s ALA 63 N -2.90 2.32 -0.52 7.40 0.00 0.08 -1.53 121.76 126.61 2kco s ALA 63 Ca 0.25 -1.36 0.04 0.00 0.00 0.00 0.00 51.96 50.89 2kco s ALA 63 Cb -0.00 -0.43 0.14 0.00 0.00 0.00 0.00 23.12 22.82 2kco s ALA 63 CO 0.09 0.54 0.28 1.21 0.00 0.00 0.00 175.76 177.88 2kco s ASN 64 N -1.63 4.18 0.02 0.00 2.47 -0.44 -0.85 114.94 118.70 2kco s ASN 64 Ca 0.13 -3.01 -0.30 0.00 0.42 0.00 0.00 52.86 50.10 2kco s ASN 64 Cb -0.10 -1.49 -0.04 0.00 -1.45 0.00 0.00 41.25 38.17 2kco s ASN 64 CO 0.04 -0.22 0.97 0.68 -3.72 0.00 0.00 177.10 174.85 2kco s VAL 65 N -0.26 4.79 -0.00 -5.21 -7.23 0.09 -1.12 120.40 111.45 2kco s VAL 65 Ca 0.18 2.05 -0.30 0.00 -1.81 0.00 0.00 61.98 62.10 2kco s VAL 65 Cb -0.23 -4.32 -0.06 0.00 0.56 0.00 0.00 36.38 32.33 2kco s VAL 65 CO -0.02 0.20 1.56 -0.22 -0.31 0.00 0.00 175.10 176.31 2kco s LEU 66 N 0.77 4.33 -0.60 1.32 1.98 -0.34 0.89 118.68 127.03 2kco s LEU 66 Ca 0.51 2.25 -0.19 0.00 -2.89 0.00 0.00 54.13 53.81 2kco s LEU 66 Cb -0.21 -3.55 0.11 0.00 0.66 0.00 0.00 46.19 43.19 2kco s LEU 66 CO 0.28 -0.84 0.70 -0.62 -1.89 0.00 0.00 176.35 173.98 2kco s ASP 67 N 2.55 6.21 0.57 3.68 -1.08 -0.17 -2.74 116.67 125.69 2kco s ASP 67 Ca 0.70 -1.51 0.38 0.00 -0.52 0.00 0.00 52.55 51.60 2kco s ASP 67 Cb -0.34 -2.29 2.05 0.00 -1.46 0.00 0.00 42.92 40.87 2kco s ASP 67 CO 0.29 -1.08 2.16 1.55 0.52 0.00 0.00 175.17 178.61 2kco h PRO 68 N 9.12 0.00 -0.46 4.34 0.13 -1.85 0.22 132.00 143.50 2kco h PRO 68 Ca -0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.73 2kco h PRO 68 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.20 2kco h PRO 68 CO 1.09 0.00 -0.21 0.00 -0.23 0.00 0.00 178.00 178.65 2kco h ALA 69 N 2.00 0.75 0.00 -0.56 0.00 -1.94 -3.24 119.26 116.28 2kco h ALA 69 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2kco h ALA 69 Cb 0.02 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2kco h ALA 69 CO 0.00 0.66 -1.03 0.25 0.00 0.00 0.00 179.25 179.13 2kco n THR 70 N -4.11 0.00 -3.06 0.00 -2.24 -0.91 -5.01 114.28 98.95 2kco n THR 70 Ca 0.00 -0.17 -0.23 0.00 -2.27 0.00 0.00 64.05 61.39 2kco n THR 70 Cb 0.45 0.79 0.04 0.00 -2.10 0.00 0.00 70.33 69.50 2kco n THR 70 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2kco n ASN 71 N -1.56 -6.03 -4.18 3.42 2.85 0.73 -5.01 115.26 105.47 2kco n ASN 71 Ca 0.02 -0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.07 2kco n ASN 71 Cb 0.31 -4.87 -0.10 0.00 1.24 0.00 0.00 39.78 36.35 2kco n ASN 71 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2kco s THR 72 N -3.18 0.51 0.46 -0.44 -4.23 -1.17 -4.96 115.64 102.63 2kco s THR 72 Ca 0.32 -1.93 -0.12 0.00 -1.18 0.00 0.00 61.69 58.77 2kco s THR 72 Cb -0.14 -1.91 -0.07 0.00 1.34 0.00 0.00 72.50 71.72 2kco s THR 72 CO 0.40 -0.64 0.86 0.00 -0.54 0.00 0.00 174.62 174.69 2kco s ALA 73 N -3.76 3.24 -0.21 3.99 0.00 -1.26 -1.00 121.76 122.76 2kco s ALA 73 Ca 0.19 -0.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.02 2kco s ALA 73 Cb 0.06 -2.86 0.10 0.00 0.00 0.00 0.00 23.12 20.42 2kco s ALA 73 CO -0.01 -0.16 0.31 0.21 0.00 0.00 0.00 175.76 176.12 2kco s LYS 74 N -4.08 0.26 -0.46 0.00 2.20 0.26 -4.85 119.74 113.08 2kco s LYS 74 Ca 0.54 0.50 -0.10 0.00 -0.36 0.00 0.00 55.97 56.55 2kco s LYS 74 Cb -0.10 -0.58 0.10 0.00 -1.51 0.00 0.00 37.83 35.74 2kco s LYS 74 CO 0.34 -0.55 0.33 0.21 -0.36 0.00 0.00 175.35 175.32 2kco s LYS 75 N 2.46 2.63 0.07 4.03 2.20 -1.26 -0.73 119.74 129.13 2kco s LYS 75 Ca 0.08 -1.60 0.05 0.00 -0.36 0.00 0.00 55.97 54.14 2kco s LYS 75 Cb -0.15 -3.93 -0.03 0.00 -1.51 0.00 0.00 37.83 32.22 2kco s LYS 75 CO -0.13 -1.10 -0.15 0.14 -0.36 0.00 0.00 175.35 173.76 2kco s VAL 76 N 1.44 1.15 0.69 4.02 -7.23 -0.03 -4.95 120.40 115.49 2kco s VAL 76 Ca 0.04 -1.32 -0.12 0.00 -1.81 0.00 0.00 61.98 58.77 2kco s VAL 76 Cb -0.25 -1.10 0.01 0.00 0.56 0.00 0.00 36.38 35.60 2kco s VAL 76 CO 0.01 -0.21 1.08 -0.75 -0.31 0.00 0.00 175.10 174.92 2kco s LYS 77 N -1.74 2.78 0.02 4.82 2.20 -1.26 -0.74 119.74 125.81 2kco s LYS 77 Ca -0.01 1.15 -0.18 0.00 -0.36 0.00 0.00 55.97 56.57 2kco s LYS 77 Cb -0.10 -1.96 -0.06 0.00 -1.51 0.00 0.00 37.83 34.20 2kco s LYS 77 CO 0.02 -1.24 0.51 0.42 -0.36 0.00 0.00 175.35 174.71 2kco s ILE 78 N -2.75 4.91 -0.00 5.43 1.09 -1.26 -1.46 121.20 127.16 2kco s ILE 78 Ca 0.62 1.07 -0.00 0.00 -1.10 0.00 0.00 60.65 61.24 2kco s ILE 78 Cb -0.17 -3.84 -0.00 0.00 -1.06 0.00 0.00 42.46 37.40 2kco s ILE 78 CO 0.49 0.51 -0.00 0.18 -0.10 0.00 0.00 174.94 176.02 2kco n LEU 79 N 2.14 0.03 -3.57 2.97 4.32 -0.27 -4.93 117.00 117.70 2kco n LEU 79 Ca -0.11 0.16 -0.17 0.00 -0.02 0.00 0.00 56.01 55.88 2kco n LEU 79 Cb 0.51 -0.51 -0.07 0.00 -1.62 0.00 0.00 43.42 41.74 2kco n LEU 79 CO 0.41 -0.50 0.37 -1.83 -1.22 0.00 0.00 177.39 174.62 2kco s GLU 80 N -1.03 0.98 0.03 3.23 -1.05 -1.20 -5.00 118.70 114.66 2kco s GLU 80 Ca -0.00 0.24 -0.13 0.00 -0.15 0.00 0.00 54.97 54.93 2kco s GLU 80 Cb 0.00 0.46 -0.06 0.00 -0.44 0.00 0.00 34.13 34.09 2kco s GLU 80 CO 0.01 -0.29 0.40 0.96 0.95 0.00 0.00 175.26 177.28 2kco s ILE 81 N -1.09 5.07 -0.16 1.83 -0.00 -1.26 -0.40 121.20 125.19 2kco s ILE 81 Ca -0.11 0.67 -0.13 0.00 -0.00 0.00 0.00 60.65 61.09 2kco s ILE 81 Cb -0.01 -3.67 -0.05 0.00 -0.00 0.00 0.00 42.46 38.73 2kco s ILE 81 CO 0.08 0.47 -0.24 0.18 -0.00 0.00 0.00 174.94 175.43 2kco n LEU 82 N 1.46 1.86 -4.61 0.37 7.99 -0.48 -4.81 117.00 118.79 2kco n LEU 82 Ca -0.12 0.50 -0.43 0.00 -0.01 0.00 0.00 56.01 55.96 2kco n LEU 82 Cb 0.52 -0.82 -0.04 0.00 -0.11 0.00 0.00 43.42 42.98 2kco n LEU 82 CO 0.39 -0.35 0.76 -0.70 -1.51 0.00 0.00 177.39 175.98 2kco s GLU 83 N -2.51 3.90 -0.05 3.23 2.12 -1.25 -4.99 118.70 119.15 2kco s GLU 83 Ca -0.21 0.66 -0.30 0.00 0.36 0.00 0.00 54.97 55.48 2kco s GLU 83 Cb 0.03 -3.78 -0.05 0.00 0.26 0.00 0.00 34.13 30.59 2kco s GLU 83 CO 0.32 -0.89 1.60 0.99 -0.54 0.00 0.00 175.26 176.74 2kco s THR 84 N 3.41 3.61 0.41 -1.70 2.01 -1.26 -3.95 115.64 118.17 2kco s THR 84 Ca 0.38 0.79 -0.26 0.00 0.31 0.00 0.00 61.69 62.92 2kco s THR 84 Cb -0.12 -3.51 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 2kco s THR 84 CO 0.17 -0.06 1.31 -2.65 -0.69 0.00 0.00 174.62 172.70 2kco n PRO 85 N 6.82 2.06 -0.04 4.92 -0.02 -1.26 -4.93 135.00 142.55 2kco n PRO 85 Ca 0.16 0.73 0.03 0.00 -2.02 0.00 0.00 63.50 62.40 2kco n PRO 85 Cb 0.43 -2.43 0.38 0.00 -0.02 0.00 0.00 33.50 31.85 2kco n PRO 85 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kco h ALA 86 N 2.24 1.62 -0.58 3.55 0.00 -1.97 -2.79 119.26 121.33 2kco h ALA 86 Ca -0.48 -0.06 -0.73 0.00 0.00 0.00 0.00 54.91 53.64 2kco h ALA 86 Cb 1.29 -0.19 -0.10 0.00 0.00 0.00 0.00 17.79 18.78 2kco h ALA 86 CO 0.61 0.33 2.58 0.27 0.00 0.00 0.00 179.25 183.04 2kco n ASN 87 N -4.44 7.23 0.06 0.00 6.94 -1.26 -4.75 115.26 119.04 2kco n ASN 87 Ca 0.04 -3.03 0.16 0.00 -0.02 0.00 0.00 54.58 51.72 2kco n ASN 87 Cb 0.08 -1.43 0.65 0.00 -2.36 0.00 0.00 39.78 36.71 2kco n ASN 87 CO 0.00 0.00 0.00 0.07 -1.03 0.00 0.00 177.26 176.30 2kco h LYS 88 N 5.01 0.06 -0.87 -3.83 -0.00 -1.89 -1.51 116.57 113.54 2kco h LYS 88 Ca 0.65 -0.00 0.23 0.00 -0.00 0.00 0.00 60.65 61.52 2kco h LYS 88 Cb 0.39 -0.01 -0.05 0.00 -0.00 0.00 0.00 32.23 32.56 2kco h LYS 88 CO 1.58 0.04 0.60 1.05 -0.00 0.00 0.00 179.45 182.73 2kco h GLU 89 N 0.06 0.17 0.05 0.07 4.11 -1.90 -0.39 114.58 116.75 2kco h GLU 89 Ca 0.19 -0.01 -0.36 0.00 0.07 0.00 0.00 59.36 59.24 2kco h GLU 89 Cb 0.66 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.83 2kco h GLU 89 CO -0.01 0.11 -2.08 1.28 0.07 0.00 0.00 179.01 178.38 2kco n LEU 90 N -4.39 2.49 0.11 3.06 4.77 -0.66 -4.40 117.00 117.97 2kco n LEU 90 Ca 0.18 0.17 0.20 0.00 -0.03 0.00 0.00 56.01 56.53 2kco n LEU 90 Cb 0.82 -0.99 0.75 0.00 -2.33 0.00 0.00 43.42 41.68 2kco n LEU 90 CO 0.35 0.73 1.18 0.00 -1.33 0.00 0.00 177.39 178.31 2kco h ALA 91 N -0.21 2.08 -0.22 -1.18 0.00 -0.65 -0.02 119.26 119.06 2kco h ALA 91 Ca -0.50 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.32 2kco h ALA 91 Cb 1.80 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.60 2kco h ALA 91 CO -0.09 -0.61 -0.20 0.07 0.00 0.00 0.00 179.25 178.42 2kco h ARG 92 N 0.00 0.39 -0.00 0.00 0.11 -1.29 -1.98 114.38 111.61 2kco h ARG 92 Ca 0.18 -0.12 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2kco h ARG 92 Cb 1.00 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.04 2kco h ARG 92 CO -0.00 0.58 -0.12 0.54 0.10 0.00 0.00 179.97 181.06 2kco n ARG 93 N -4.17 0.36 -0.35 0.08 1.74 -0.10 -4.90 116.66 109.31 2kco n ARG 93 Ca -0.00 -0.10 0.00 0.00 -0.77 0.00 0.00 57.85 56.98 2kco n ARG 93 Cb 0.35 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2kco n ARG 93 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2kco n GLY 94 N 1.37 0.70 3.51 -0.13 0.00 -0.74 -4.84 105.19 105.05 2kco n GLY 94 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2kco n GLY 94 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kco s ILE 95 N -2.61 4.01 -0.03 -0.61 -1.09 -0.69 -4.89 121.20 115.30 2kco s ILE 95 Ca 0.00 -0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.36 2kco s ILE 95 Cb 0.00 -4.83 -0.04 0.00 -1.58 0.00 0.00 42.46 36.01 2kco s ILE 95 CO 0.00 -1.69 0.07 -0.63 -1.23 0.00 0.00 174.94 171.46 2kco s ILE 96 N 4.90 4.69 0.02 2.92 1.01 -1.26 -1.95 121.20 131.53 2kco s ILE 96 Ca 0.30 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.57 2kco s ILE 96 Cb -0.11 -3.11 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 2kco s ILE 96 CO 0.11 0.41 0.22 -0.51 0.00 0.00 0.00 174.94 175.17 2kco s ILE 97 N -1.13 5.37 0.11 2.92 2.07 -1.26 -4.46 121.20 124.83 2kco s ILE 97 Ca 0.21 -0.11 -0.35 0.00 -1.41 0.00 0.00 60.65 58.99 2kco s ILE 97 Cb -0.12 -3.57 -0.15 0.00 0.13 0.00 0.00 42.46 38.75 2kco s ILE 97 CO 0.11 0.28 1.50 -1.14 -1.91 0.00 0.00 174.94 173.78 2kco n ARG 98 N 0.80 1.72 0.00 3.50 0.63 -1.26 -2.81 116.66 119.24 2kco n ARG 98 Ca -0.09 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.46 2kco n ARG 98 Cb 0.52 -2.34 0.00 0.00 0.45 0.00 0.00 32.46 31.09 2kco n ARG 98 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2kco n GLY 99 N 3.12 2.46 3.73 5.14 0.00 -0.64 -5.04 105.19 113.96 2kco n GLY 99 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 2kco n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kco s ALA 100 N -2.28 3.35 0.15 4.61 0.00 -1.12 -4.83 121.76 121.63 2kco s ALA 100 Ca 0.00 0.18 -0.30 0.00 0.00 0.00 0.00 51.96 51.84 2kco s ALA 100 Cb 0.00 -2.96 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 2kco s ALA 100 CO 0.00 -0.03 1.01 0.15 0.00 0.00 0.00 175.76 176.89 2kco s LYS 101 N 0.47 4.67 0.09 0.00 3.01 -1.25 -2.82 119.74 123.90 2kco s LYS 101 Ca 0.38 1.56 0.06 0.00 -1.01 0.00 0.00 55.97 56.95 2kco s LYS 101 Cb -0.19 -3.33 -0.03 0.00 -1.01 0.00 0.00 37.83 33.27 2kco s LYS 101 CO 0.20 0.19 -0.15 -1.50 0.51 0.00 0.00 175.35 174.59 2kco s ILE 102 N -0.19 1.24 -0.12 2.17 2.07 -0.40 -1.38 121.20 124.59 2kco s ILE 102 Ca 0.47 -1.42 -0.00 0.00 -1.41 0.00 0.00 60.65 58.28 2kco s ILE 102 Cb -0.26 -1.24 -0.02 0.00 0.13 0.00 0.00 42.46 41.08 2kco s ILE 102 CO 0.32 -0.24 -0.11 -0.13 -1.91 0.00 0.00 174.94 172.86 2kco s ARG 103 N -1.96 3.34 0.49 3.50 0.52 0.47 -1.07 118.95 124.24 2kco s ARG 103 Ca 0.01 -0.65 0.03 0.00 -0.52 0.00 0.00 55.73 54.60 2kco s ARG 103 Cb -0.09 -2.66 -0.02 0.00 0.52 0.00 0.00 34.95 32.71 2kco s ARG 103 CO 0.03 0.27 0.07 0.95 0.02 0.00 0.00 175.30 176.64 2kco s THR 104 N 0.21 1.44 0.29 0.02 -4.23 -0.13 -1.11 115.64 112.12 2kco s THR 104 Ca -0.07 -1.91 0.37 0.00 -1.18 0.00 0.00 61.69 58.90 2kco s THR 104 Cb -0.15 -2.35 0.38 0.00 1.34 0.00 0.00 72.50 71.72 2kco s THR 104 CO 0.05 0.00 2.11 -0.33 -0.54 0.00 0.00 174.62 175.90 2kco h GLU 105 N 1.34 0.00 0.00 3.99 4.39 -1.53 -3.25 114.58 119.52 2kco h GLU 105 Ca -0.43 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.27 2kco h GLU 105 Cb 1.30 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.95 2kco h GLU 105 CO 0.73 0.00 -0.01 0.00 -1.16 0.00 0.00 179.01 178.57 2kco h ALA 106 N 2.02 0.00 -2.93 3.43 0.00 -1.93 -3.50 119.26 116.35 2kco h ALA 106 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kco h ALA 106 Cb 0.15 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2kco h ALA 106 CO 0.00 0.01 0.00 0.41 0.00 0.00 0.00 179.25 179.67 2kco n GLY 107 N 1.91 2.37 3.71 0.00 0.00 -1.23 -5.12 105.19 106.83 2kco n GLY 107 Ca -0.00 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2kco n GLY 107 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 108 N 0.00 4.37 0.24 0.99 2.96 -1.26 -0.96 118.68 125.02 2kco s LEU 108 Ca 0.00 2.11 0.02 0.00 -0.22 0.00 0.00 54.13 56.04 2kco s LEU 108 Cb 0.00 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.06 2kco s LEU 108 CO 0.00 -0.53 0.04 0.00 -1.32 0.00 0.00 176.35 174.55 2kco s ALA 109 N 1.09 1.78 -0.09 5.97 0.00 -0.23 -2.26 121.76 128.01 2kco s ALA 109 Ca 0.60 -1.82 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2kco s ALA 109 Cb -0.32 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.53 2kco s ALA 109 CO 0.29 -0.35 -0.20 0.54 0.00 0.00 0.00 175.76 176.04 2kco s VAL 110 N -3.57 2.43 -0.07 0.00 0.11 -0.55 -1.28 120.40 117.47 2kco s VAL 110 Ca 0.32 -0.90 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 2kco s VAL 110 Cb 0.07 -1.95 -0.05 0.00 -1.53 0.00 0.00 36.38 32.92 2kco s VAL 110 CO 0.11 0.56 1.55 0.68 -3.33 0.00 0.00 175.10 174.66 2kco s VAL 111 N 0.11 3.72 -0.47 2.04 -7.23 -1.13 -0.81 120.40 116.64 2kco s VAL 111 Ca -0.10 0.90 0.04 0.00 -1.81 0.00 0.00 61.98 61.02 2kco s VAL 111 Cb -0.16 -3.58 0.06 0.00 0.56 0.00 0.00 36.38 33.26 2kco s VAL 111 CO 0.06 -0.07 0.80 0.35 -0.31 0.00 0.00 175.10 175.93 2kco n THR 112 N 5.36 0.37 -3.98 5.32 -2.24 -0.78 -1.62 114.28 116.71 2kco n THR 112 Ca 0.16 -0.68 -0.11 0.00 -2.27 0.00 0.00 64.05 61.15 2kco n THR 112 Cb 0.43 0.87 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 2kco n THR 112 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2kco s SER 113 N -0.59 0.22 0.43 3.42 0.15 -0.92 -4.99 113.70 111.43 2kco s SER 113 Ca 0.06 -1.12 -0.23 0.00 0.70 0.00 0.00 55.95 55.37 2kco s SER 113 Cb 0.04 0.67 -0.08 0.00 -1.71 0.00 0.00 66.02 64.94 2kco s SER 113 CO 0.06 -1.32 1.08 -0.13 1.20 0.00 0.00 173.24 174.13 2kco s ARG 114 N -3.38 3.99 -0.12 5.44 3.00 -1.26 -4.38 118.95 122.24 2kco s ARG 114 Ca 0.23 1.55 -0.32 0.00 0.00 0.00 0.00 55.73 57.18 2kco s ARG 114 Cb -0.02 -2.42 -0.10 0.00 0.00 0.00 0.00 34.95 32.41 2kco s ARG 114 CO 0.13 -0.30 2.01 -0.35 0.00 0.00 0.00 175.30 176.79 2kco n PRO 115 N -0.34 2.16 -0.57 3.54 -0.04 -1.26 -3.96 135.00 134.53 2kco n PRO 115 Ca 0.06 0.74 -0.29 0.00 -0.04 0.00 0.00 63.50 63.98 2kco n PRO 115 Cb 0.50 -2.83 0.24 0.00 -0.04 0.00 0.00 33.50 31.36 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kco s GLY 116 N 5.44 1.58 0.56 0.55 0.00 -0.26 -4.84 107.32 110.34 2kco s GLY 116 Ca 0.96 0.04 0.31 0.00 0.00 0.00 0.00 44.72 46.03 2kco s GLY 116 CO 0.46 0.69 2.13 0.06 0.00 0.00 0.00 173.10 176.44 2kco h GLN 117 N -2.48 0.00 0.00 2.90 3.07 -1.94 -0.87 115.11 115.78 2kco h GLN 117 Ca -0.58 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.16 2kco h GLN 117 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.88 2kco h GLN 117 CO 0.48 0.07 0.00 -0.25 0.09 0.00 0.00 178.83 179.22 2kco n ASP 118 N -3.50 0.00 -0.20 0.06 9.92 -1.26 -4.89 116.55 116.68 2kco n ASP 118 Ca -0.02 0.30 0.00 0.00 -0.53 0.00 0.00 54.79 54.55 2kco n ASP 118 Cb 0.20 -0.42 0.00 0.00 -0.64 0.00 0.00 41.12 40.26 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kco n GLY 119 N 0.75 0.72 3.12 0.44 0.00 -0.33 -4.87 105.19 105.01 2kco n GLY 119 Ca 0.07 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 2kco n GLY 119 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kco s VAL 120 N -2.40 2.53 -0.41 1.61 1.01 -1.23 -2.23 120.40 119.28 2kco s VAL 120 Ca 0.00 -1.46 -0.20 0.00 0.00 0.00 0.00 61.98 60.32 2kco s VAL 120 Cb 0.00 -2.44 0.02 0.00 0.00 0.00 0.00 36.38 33.96 2kco s VAL 120 CO 0.00 -0.01 0.59 -0.63 0.00 0.00 0.00 175.10 175.05 2kco s ILE 121 N 1.19 4.90 0.01 2.22 1.09 -0.58 -1.10 121.20 128.93 2kco s ILE 121 Ca -0.06 0.15 -0.30 0.00 -1.10 0.00 0.00 60.65 59.33 2kco s ILE 121 Cb -0.19 -4.13 -0.05 0.00 -1.06 0.00 0.00 42.46 37.03 2kco s ILE 121 CO -0.04 -0.47 1.28 0.20 -0.10 0.00 0.00 174.94 175.81 2kco s ASN 122 N 1.91 6.97 0.31 3.58 -0.87 -1.25 -1.32 114.94 124.26 2kco s ASN 122 Ca 0.21 2.02 0.03 0.00 -1.57 0.00 0.00 52.86 53.55 2kco s ASN 122 Cb -0.15 -2.57 -0.04 0.00 -0.02 0.00 0.00 41.25 38.48 2kco s ASN 122 CO 0.17 -0.60 0.16 0.00 -2.57 0.00 0.00 177.10 174.26 2kco s ALA 123 N 1.82 2.01 -0.10 0.60 0.00 -0.27 -1.86 121.76 123.95 2kco s ALA 123 Ca 0.60 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.83 2kco s ALA 123 Cb -0.29 1.14 0.01 0.00 0.00 0.00 0.00 23.12 23.98 2kco s ALA 123 CO 0.26 -0.50 -0.14 0.08 0.00 0.00 0.00 175.76 175.46 2kco s VAL 124 N -3.58 1.39 0.07 0.00 1.01 0.01 -1.20 120.40 118.10 2kco s VAL 124 Ca 0.35 -0.58 -0.31 0.00 0.00 0.00 0.00 61.98 61.44 2kco s VAL 124 Cb 0.05 -1.27 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 2kco s VAL 124 CO 0.18 0.42 1.45 -0.76 0.00 0.00 0.00 175.10 176.38 2kco s LEU 125 N 0.94 4.35 -0.41 3.92 1.43 -1.11 -1.49 118.68 126.31 2kco s LEU 125 Ca -0.08 2.30 0.09 0.00 -1.03 0.00 0.00 54.13 55.41 2kco s LEU 125 Cb -0.15 -3.57 0.43 0.00 0.03 0.00 0.00 46.19 42.92 2kco s LEU 125 CO -0.00 -0.72 1.05 0.00 0.23 0.00 0.00 176.35 176.91 2kco n LEU 126 N 4.68 3.70 -4.56 1.79 -0.00 -0.96 -4.64 117.00 117.00 2kco n LEU 126 Ca 0.13 -4.81 -0.28 0.00 -0.00 0.00 0.00 56.01 51.05 2kco n LEU 126 Cb 0.42 -0.19 -0.05 0.00 -0.00 0.00 0.00 43.42 43.60 2kco n LEU 126 CO 0.59 2.05 1.39 -0.54 -0.00 0.00 0.00 177.39 180.89 2kco s LYS 127 N -3.40 2.64 0.04 1.47 1.02 -1.25 -4.84 119.74 115.42 2kco s LYS 127 Ca 0.42 -0.53 -0.28 0.00 0.02 0.00 0.00 55.97 55.61 2kco s LYS 127 Cb 0.41 -5.12 0.09 0.00 -0.52 0.00 0.00 37.83 32.69 2kco s LYS 127 CO -0.12 -3.39 0.90 0.54 -0.92 0.00 0.00 175.35 172.36 2kco s ASN 128 N 7.50 -0.33 -0.24 2.83 4.22 -1.26 -5.11 114.94 122.56 2kco s ASN 128 Ca 0.68 -0.09 -0.29 0.00 -2.14 0.00 0.00 52.86 51.01 2kco s ASN 128 Cb -0.05 0.41 -0.01 0.00 1.28 0.00 0.00 41.25 42.88 2kco s ASN 128 CO 0.01 -0.70 1.37 -0.70 -2.04 0.00 0.00 177.10 175.05 2kco s GLU 129 N -3.18 3.99 -1.02 3.55 2.12 -1.26 -4.96 118.70 117.94 2kco s GLU 129 Ca 0.07 1.49 -0.23 0.00 0.36 0.00 0.00 54.97 56.65 2kco s GLU 129 Cb -0.01 -3.89 -0.03 0.00 0.26 0.00 0.00 34.13 30.47 2kco s GLU 129 CO -0.07 -1.03 1.83 -1.54 -0.54 0.00 0.00 175.26 173.91 2kco s SER 130 N 2.90 5.53 -0.63 -1.70 1.04 -1.26 -4.93 113.70 114.64 2kco s SER 130 Ca 0.60 -1.21 -0.27 0.00 0.48 0.00 0.00 55.95 55.55 2kco s SER 130 Cb -0.20 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.35 2kco s SER 130 CO 0.22 -2.44 1.56 -1.10 0.98 0.00 0.00 173.24 172.46 2kco s GLN 131 N 6.24 3.00 0.00 4.02 -0.21 -1.26 -4.88 119.66 126.58 2kco s GLN 131 Ca 0.64 0.32 -0.20 0.00 0.02 0.00 0.00 55.36 56.14 2kco s GLN 131 Cb -0.03 -4.25 -0.23 0.00 1.00 0.00 0.00 33.01 29.50 2kco s GLN 131 CO 0.01 -2.31 1.10 -0.09 -2.12 0.00 0.00 175.29 171.88 2kco h ARG 132 N 12.31 0.39 0.00 2.91 2.43 -2.05 -3.57 114.38 126.80 2kco h ARG 132 Ca -0.27 -0.41 0.00 0.00 -0.81 0.00 0.00 59.98 58.48 2kco h ARG 132 Cb 1.11 0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2kco h ARG 132 CO 1.22 1.08 0.00 -1.13 -1.51 0.00 0.00 179.97 179.63