#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kco n GLY 2 N 0.00 3.35 3.71 3.17 0.00 -1.26 -5.19 105.19 108.97 2kco n GLY 2 Ca 0.00 -0.13 -0.31 0.00 0.00 0.00 0.00 46.02 45.58 2kco n GLY 2 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kco s PHE 3 N 0.00 2.06 -0.04 1.61 -0.12 -1.26 -5.17 117.98 115.07 2kco s PHE 3 Ca 0.00 -0.88 0.07 0.00 -0.05 0.00 0.00 56.93 56.07 2kco s PHE 3 Cb 0.00 -1.65 -0.02 0.00 -0.63 0.00 0.00 43.02 40.72 2kco s PHE 3 CO 0.00 0.28 -0.24 0.71 -0.05 0.00 0.00 175.22 175.92 2kco s TYR 4 N -2.84 2.41 0.34 3.49 2.02 -1.26 -5.13 117.35 116.39 2kco s TYR 4 Ca 0.15 -0.52 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 2kco s TYR 4 Cb 0.04 -1.55 0.01 0.00 -0.40 0.00 0.00 41.96 40.06 2kco s TYR 4 CO 0.08 -0.09 0.52 1.14 -1.57 0.00 0.00 175.55 175.63 2kco s GLN 5 N -0.44 1.94 0.00 -0.62 -2.07 -1.26 -5.14 119.66 112.07 2kco s GLN 5 Ca 0.05 -1.68 0.00 0.00 -1.82 0.00 0.00 55.36 51.91 2kco s GLN 5 Cb -0.12 0.47 0.00 0.00 -1.09 0.00 0.00 33.01 32.28 2kco s GLN 5 CO 0.01 -0.82 0.00 0.41 -1.32 0.00 0.00 175.29 173.57 2kco n GLY 6 N -0.55 -0.24 3.68 2.60 0.00 -1.26 -5.12 105.19 104.30 2kco n GLY 6 Ca -0.01 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 2kco n GLY 6 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kco s PRO 7 N 0.00 4.15 0.28 1.61 0.02 -1.26 -5.02 135.00 134.77 2kco s PRO 7 Ca 0.00 2.55 0.01 0.00 0.02 0.00 0.00 61.00 63.58 2kco s PRO 7 Cb 0.00 -3.87 0.01 0.00 0.02 0.00 0.00 34.50 30.66 2kco s PRO 7 CO 0.00 -0.88 0.10 -0.40 -0.33 0.00 0.00 177.00 175.49 2kco n ASP 8 N 6.58 2.35 -3.78 2.53 5.68 -1.26 -5.11 116.55 123.54 2kco n ASP 8 Ca 0.18 -2.08 -0.28 0.00 -0.50 0.00 0.00 54.79 52.11 2kco n ASP 8 Cb 0.40 0.09 -0.12 0.00 -1.14 0.00 0.00 41.12 40.35 2kco n ASP 8 CO 0.00 0.00 0.00 0.20 -1.33 0.00 0.00 177.20 176.07 2kco s ASN 9 N -2.56 3.92 -0.14 -1.12 0.02 -1.26 -5.05 114.94 108.75 2kco s ASN 9 Ca 0.08 -3.43 -0.01 0.00 -1.02 0.00 0.00 52.86 48.48 2kco s ASN 9 Cb -0.01 -1.31 0.04 0.00 0.02 0.00 0.00 41.25 39.99 2kco s ASN 9 CO 0.05 -0.14 -0.05 -0.13 0.02 0.00 0.00 177.10 176.85 2kco s ARG 10 N -0.77 1.32 -0.35 -0.60 0.52 -1.26 -5.13 118.95 112.68 2kco s ARG 10 Ca 0.25 -0.37 -0.13 0.00 -0.52 0.00 0.00 55.73 54.95 2kco s ARG 10 Cb -0.08 -1.79 -0.01 0.00 0.52 0.00 0.00 34.95 33.59 2kco s ARG 10 CO -0.13 -0.39 0.25 0.21 0.02 0.00 0.00 175.30 175.26 2kco s LYS 11 N 1.70 3.38 0.02 3.54 2.20 -1.26 -5.08 119.74 124.25 2kco s LYS 11 Ca 0.02 -0.73 -0.26 0.00 -0.36 0.00 0.00 55.97 54.65 2kco s LYS 11 Cb -0.14 -3.84 -0.05 0.00 -1.51 0.00 0.00 37.83 32.29 2kco s LYS 11 CO -0.08 -0.51 0.81 -1.50 -0.36 0.00 0.00 175.35 173.71 2kco s ILE 12 N 1.71 4.79 -0.29 5.43 -1.16 -1.26 -5.04 121.20 125.39 2kco s ILE 12 Ca 0.06 1.71 0.04 0.00 -0.51 0.00 0.00 60.65 61.94 2kco s ILE 12 Cb -0.18 -4.16 0.18 0.00 0.61 0.00 0.00 42.46 38.92 2kco s ILE 12 CO 0.10 0.30 0.52 0.28 -2.81 0.00 0.00 174.94 173.34 2kco s THR 13 N 0.29 -0.86 0.04 4.00 -1.32 -1.26 -5.05 115.64 111.48 2kco s THR 13 Ca 0.41 -0.11 0.08 0.00 -1.21 0.00 0.00 61.69 60.87 2kco s THR 13 Cb -0.20 -0.99 -0.22 0.00 -1.51 0.00 0.00 72.50 69.57 2kco s THR 13 CO 0.24 -0.11 0.99 1.23 -2.21 0.00 0.00 174.62 174.76 2kco h GLY 14 N 8.06 0.02 0.00 6.08 0.00 -2.08 -3.50 103.07 111.66 2kco h GLY 14 Ca -0.06 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2kco h GLY 14 CO 0.20 0.05 0.00 0.61 0.00 0.00 0.00 176.54 177.41 2kco n GLY 15 N 1.46 -0.83 0.12 4.60 0.00 -1.26 -5.02 105.19 104.26 2kco n GLY 15 Ca -0.08 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.73 2kco n GLY 15 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kco n LEU 16 N 0.00 2.23 -2.41 0.99 4.77 -1.26 -5.10 117.00 116.22 2kco n LEU 16 Ca 0.00 0.28 -0.04 0.00 -0.03 0.00 0.00 56.01 56.22 2kco n LEU 16 Cb 0.00 -0.98 -0.03 0.00 -2.33 0.00 0.00 43.42 40.08 2kco n LEU 16 CO 0.00 0.58 -0.57 1.17 -1.33 0.00 0.00 177.39 177.24 2kco n LYS 17 N -3.99 -4.45 -4.56 3.23 3.00 -1.26 -5.08 118.16 105.04 2kco n LYS 17 Ca -0.38 3.34 -0.21 0.00 -0.00 0.00 0.00 58.31 61.06 2kco n LYS 17 Cb 0.86 -4.64 -0.15 0.00 0.00 0.00 0.00 35.03 31.10 2kco n LYS 17 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 2kco s GLY 18 N -0.59 0.61 -0.39 3.14 0.00 -1.26 -5.12 107.32 103.71 2kco s GLY 18 Ca -0.18 -0.54 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 2kco s GLY 18 CO 0.48 -0.44 0.17 0.54 0.00 0.00 0.00 173.10 173.86 2kco s LYS 19 N -0.27 1.94 -0.43 2.90 1.02 -1.26 -5.07 119.74 118.56 2kco s LYS 19 Ca 0.04 -1.81 -0.28 0.00 0.02 0.00 0.00 55.97 53.95 2kco s LYS 19 Cb -0.05 -3.51 -0.02 0.00 -0.52 0.00 0.00 37.83 33.73 2kco s LYS 19 CO -0.00 -1.04 1.80 -3.38 -0.92 0.00 0.00 175.35 171.81 2kco s HIS 20 N 1.11 1.79 -0.76 3.18 -3.43 -1.26 -4.95 115.29 110.97 2kco s HIS 20 Ca 0.08 0.70 -0.26 0.00 -0.80 0.00 0.00 55.06 54.78 2kco s HIS 20 Cb -0.22 -4.12 0.02 0.00 -1.43 0.00 0.00 32.58 26.83 2kco s HIS 20 CO -0.05 -2.66 1.42 0.50 -2.00 0.00 0.00 174.74 171.95 2kco s ARG 21 N 6.09 3.14 0.00 -0.38 6.06 -1.26 -5.01 118.95 127.58 2kco s ARG 21 Ca 0.75 -0.23 0.00 0.00 -2.50 0.00 0.00 55.73 53.75 2kco s ARG 21 Cb -0.19 -4.41 0.00 0.00 0.06 0.00 0.00 34.95 30.42 2kco s ARG 21 CO 0.29 -2.29 0.00 -0.40 -2.50 0.00 0.00 175.30 170.40 2kco n ASP 22 N 10.00 0.00 -4.21 -2.12 5.75 -1.26 -5.14 116.55 119.57 2kco n ASP 22 Ca 0.11 -0.96 -0.17 0.00 -0.01 0.00 0.00 54.79 53.77 2kco n ASP 22 Cb 0.50 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.48 2kco n ASP 22 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2kco s LYS 23 N -2.45 0.94 -0.07 0.11 0.00 -1.26 -5.16 119.74 111.85 2kco s LYS 23 Ca 0.00 -1.18 0.02 0.00 0.00 0.00 0.00 55.97 54.81 2kco s LYS 23 Cb 0.00 -0.77 -0.02 0.00 0.00 0.00 0.00 37.83 37.04 2kco s LYS 23 CO 0.00 0.14 -0.14 1.03 0.00 0.00 0.00 175.35 176.38 2kco s ARG 24 N -2.62 2.78 0.36 1.78 0.52 -1.26 -5.13 118.95 115.38 2kco s ARG 24 Ca 0.07 -0.69 -0.25 0.00 -0.52 0.00 0.00 55.73 54.33 2kco s ARG 24 Cb -0.05 -2.46 -0.09 0.00 0.52 0.00 0.00 34.95 32.87 2kco s ARG 24 CO 0.02 0.50 1.03 0.15 0.02 0.00 0.00 175.30 177.02 2kco s LYS 25 N -0.40 4.34 0.71 3.54 1.02 -1.26 -5.06 119.74 122.63 2kco s LYS 25 Ca 0.05 1.50 -0.11 0.00 0.02 0.00 0.00 55.97 57.43 2kco s LYS 25 Cb -0.12 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.51 2kco s LYS 25 CO 0.02 0.02 1.09 0.71 -0.92 0.00 0.00 175.35 176.28 2kco s TYR 26 N -1.58 3.27 0.31 3.18 2.02 -1.26 -5.07 117.35 118.21 2kco s TYR 26 Ca 0.54 0.97 -0.18 0.00 -0.37 0.00 0.00 57.07 58.03 2kco s TYR 26 Cb -0.22 -3.10 -0.09 0.00 -0.40 0.00 0.00 41.96 38.14 2kco s TYR 26 CO 0.28 -1.23 0.78 -1.21 -1.57 0.00 0.00 175.55 172.60 2kco s GLU 27 N -5.36 4.15 0.45 -0.62 2.02 -1.26 -5.07 118.70 113.02 2kco s GLU 27 Ca 0.58 0.84 -0.22 0.00 0.02 0.00 0.00 54.97 56.20 2kco s GLU 27 Cb -0.11 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.49 2kco s GLU 27 CO 0.51 0.21 1.08 0.42 0.02 0.00 0.00 175.26 177.49 2kco s ILE 28 N -1.85 3.57 1.31 -1.63 1.01 -1.26 -5.06 121.20 117.30 2kco s ILE 28 Ca 0.52 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 62.05 2kco s ILE 28 Cb -0.13 -3.52 0.33 0.00 0.01 0.00 0.00 42.46 39.16 2kco s ILE 28 CO 0.18 -0.09 1.06 -0.83 0.00 0.00 0.00 174.94 175.25 2kco s GLY 29 N -1.68 1.53 0.10 6.18 0.00 -1.26 -5.07 107.32 107.12 2kco s GLY 29 Ca 0.63 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 44.32 2kco s GLY 29 CO 0.26 -0.05 0.27 0.54 0.00 0.00 0.00 173.10 174.11 2kco s ASN 30 N -3.78 6.38 0.36 1.64 2.20 -1.26 -5.09 114.94 115.39 2kco s ASN 30 Ca 0.71 0.30 -0.28 0.00 -0.94 0.00 0.00 52.86 52.66 2kco s ASN 30 Cb -0.09 -1.97 -0.10 0.00 -2.00 0.00 0.00 41.25 37.09 2kco s ASN 30 CO 0.56 0.11 1.40 -2.84 -2.94 0.00 0.00 177.10 173.39 2kco s PRO 31 N -2.76 4.17 0.97 3.55 0.02 -1.26 -5.05 135.00 134.65 2kco s PRO 31 Ca 0.36 2.40 -0.15 0.00 0.02 0.00 0.00 61.00 63.64 2kco s PRO 31 Cb -0.12 -2.98 0.18 0.00 0.02 0.00 0.00 34.50 31.60 2kco s PRO 31 CO 0.28 -0.41 1.20 -1.25 -0.33 0.00 0.00 177.00 176.49 2kco s PRO 32 N -2.01 0.65 0.29 5.54 0.04 -1.26 -5.07 135.00 133.18 2kco s PRO 32 Ca 0.52 -0.04 -0.15 0.00 0.04 0.00 0.00 61.00 61.37 2kco s PRO 32 Cb -0.43 -1.81 -0.09 0.00 0.04 0.00 0.00 34.50 32.21 2kco s PRO 32 CO 0.58 -2.47 0.71 0.99 0.04 0.00 0.00 177.00 176.85 2kco s THR 33 N -3.48 4.69 0.48 1.26 2.01 -1.26 -5.09 115.64 114.25 2kco s THR 33 Ca 0.68 0.96 -0.08 0.00 0.31 0.00 0.00 61.69 63.56 2kco s THR 33 Cb -0.10 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.71 2kco s THR 33 CO 0.53 -0.08 0.83 0.12 -0.69 0.00 0.00 174.62 175.33 2kco s PHE 34 N -1.86 3.54 0.59 4.92 5.36 -1.26 -5.09 117.98 124.18 2kco s PHE 34 Ca 0.51 0.99 -0.11 0.00 -0.96 0.00 0.00 56.93 57.35 2kco s PHE 34 Cb -0.12 -2.43 -0.05 0.00 -0.34 0.00 0.00 43.02 40.09 2kco s PHE 34 CO 0.18 -0.30 0.99 0.95 -1.46 0.00 0.00 175.22 175.58 2kco s THR 35 N -2.71 4.71 0.63 0.12 -4.23 -1.26 -5.11 115.64 107.79 2kco s THR 35 Ca 0.50 0.84 0.07 0.00 -1.18 0.00 0.00 61.69 61.92 2kco s THR 35 Cb -0.10 -3.85 0.10 0.00 1.34 0.00 0.00 72.50 69.99 2kco s THR 35 CO 0.42 -1.04 0.86 0.42 -0.54 0.00 0.00 174.62 174.74 2kco s THR 36 N -3.04 2.09 0.05 3.99 -4.23 -1.26 -5.16 115.64 108.09 2kco s THR 36 Ca 0.55 -0.89 0.02 0.00 -1.18 0.00 0.00 61.69 60.19 2kco s THR 36 Cb -0.11 -2.20 -0.03 0.00 1.34 0.00 0.00 72.50 71.50 2kco s THR 36 CO 0.50 0.00 -0.07 -1.48 -0.54 0.00 0.00 174.62 173.02 2kco s LEU 37 N -4.82 2.31 -0.14 4.79 0.05 -1.26 -5.04 118.68 114.56 2kco s LEU 37 Ca 0.64 -0.65 0.18 0.00 0.05 0.00 0.00 54.13 54.35 2kco s LEU 37 Cb -0.05 -0.12 0.31 0.00 -2.05 0.00 0.00 46.19 44.28 2kco s LEU 37 CO 0.41 -0.27 1.17 -1.20 -0.55 0.00 0.00 176.35 175.90 2kco n SER 38 N 1.14 2.30 -0.01 1.48 7.64 -1.26 -4.74 113.62 120.17 2kco n SER 38 Ca -0.21 -3.20 0.02 0.00 1.01 0.00 0.00 58.87 56.50 2kco n SER 38 Cb 0.56 -0.45 0.37 0.00 -1.01 0.00 0.00 64.21 63.68 2kco n SER 38 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco h ALA 39 N 0.17 1.58 -0.09 -0.43 0.00 -2.00 -1.99 119.26 116.50 2kco h ALA 39 Ca 0.00 -0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.74 2kco h ALA 39 Cb 1.01 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2kco h ALA 39 CO 0.01 0.34 -0.31 1.05 0.00 0.00 0.00 179.25 180.34 2kco h GLU 40 N 0.56 0.17 -0.34 0.00 4.11 -1.99 -2.11 114.58 114.97 2kco h GLU 40 Ca 0.14 -0.06 -0.09 0.00 0.07 0.00 0.00 59.36 59.42 2kco h GLU 40 Cb 0.07 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2kco h GLU 40 CO -0.02 0.47 -0.15 -0.44 0.07 0.00 0.00 179.01 178.93 2kco h ASP 41 N 0.15 0.61 -0.71 3.06 5.19 -1.72 -1.48 116.42 121.52 2kco h ASP 41 Ca 0.02 -0.18 -0.07 0.00 -0.62 0.00 0.00 57.03 56.18 2kco h ASP 41 Cb 0.63 -0.16 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 2kco h ASP 41 CO 0.05 0.78 0.19 0.40 -3.12 0.00 0.00 179.24 177.53 2kco h ILE 42 N 0.56 1.26 -0.05 0.35 1.08 -1.20 -2.59 117.51 116.92 2kco h ILE 42 Ca 0.09 -0.95 -0.12 0.00 -0.39 0.00 0.00 64.86 63.49 2kco h ILE 42 Cb 0.58 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.84 2kco h ILE 42 CO 0.04 0.37 -0.52 0.03 -0.69 0.00 0.00 178.15 177.38 2kco h ARG 43 N 1.07 0.15 0.00 2.37 2.47 -0.89 0.15 114.38 119.70 2kco h ARG 43 Ca 0.22 -0.09 -0.07 0.00 -1.26 0.00 0.00 59.98 58.79 2kco h ARG 43 Cb 0.35 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.67 2kco h ARG 43 CO -0.00 0.63 -0.32 0.97 0.56 0.00 0.00 179.97 181.81 2kco h ILE 44 N 0.12 0.58 0.00 2.04 6.09 -1.27 -1.44 117.51 123.63 2kco h ILE 44 Ca 0.00 -1.69 -0.12 0.00 -1.37 0.00 0.00 64.86 61.69 2kco h ILE 44 Cb 0.96 2.18 -0.02 0.00 0.47 0.00 0.00 36.82 40.41 2kco h ILE 44 CO 0.08 0.31 -0.56 0.50 -3.07 0.00 0.00 178.15 175.41 2kco h LYS 45 N 0.00 0.00 0.00 2.19 1.63 -1.02 -2.98 116.57 116.40 2kco h LYS 45 Ca -0.00 0.00 -0.15 0.00 -0.85 0.00 0.00 60.65 59.65 2kco h LYS 45 Cb 1.16 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.77 2kco h LYS 45 CO 0.04 0.56 -0.70 -0.44 -3.45 0.00 0.00 179.45 175.46 2kco h ASP 46 N 0.00 0.00 0.42 4.20 3.32 -0.37 -3.02 116.42 120.96 2kco h ASP 46 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 2kco h ASP 46 Cb 1.42 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.94 2kco h ASP 46 CO 0.07 0.70 -0.45 -0.09 -1.72 0.00 0.00 179.24 177.75 2kco h ARG 47 N 0.00 -0.85 0.00 3.56 2.43 -1.25 -3.28 114.38 115.00 2kco h ARG 47 Ca -0.01 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.22 2kco h ARG 47 Cb 1.26 0.19 0.00 0.00 -0.42 0.00 0.00 29.97 31.00 2kco h ARG 47 CO 0.09 -0.56 0.00 -2.37 -1.51 0.00 0.00 179.97 175.62 2kco n THR 48 N -5.17 0.49 -2.26 0.20 5.66 -1.13 -4.60 114.28 107.48 2kco n THR 48 Ca -0.10 0.12 -0.43 0.00 -3.05 0.00 0.00 64.05 60.59 2kco n THR 48 Cb 0.41 -0.82 -0.02 0.00 -1.55 0.00 0.00 70.33 68.34 2kco n THR 48 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kco s LEU 49 N -2.62 3.68 0.00 1.09 2.96 -1.16 -5.00 118.68 117.64 2kco s LEU 49 Ca 0.16 1.12 0.00 0.00 -0.22 0.00 0.00 54.13 55.19 2kco s LEU 49 Cb 0.12 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.27 2kco s LEU 49 CO 0.28 -1.38 0.00 0.61 -1.32 0.00 0.00 176.35 174.54 2kco n GLY 50 N 4.92 2.51 0.24 7.98 0.00 -1.26 -5.04 105.19 114.54 2kco n GLY 50 Ca 0.18 -2.00 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 4.02 3.84 -0.02 0.00 -1.26 -5.19 105.19 111.59 2kco n GLY 51 Ca 0.00 -1.86 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 2kco n GLY 51 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 52 N -1.18 4.79 0.51 1.61 0.01 -1.26 -5.16 114.94 114.26 2kco s ASN 52 Ca 0.02 -0.94 -0.03 0.00 -0.71 0.00 0.00 52.86 51.20 2kco s ASN 52 Cb 0.00 -0.34 0.00 0.00 0.41 0.00 0.00 41.25 41.32 2kco s ASN 52 CO 0.01 -0.72 0.78 0.72 -1.51 0.00 0.00 177.10 176.38 2kco s PHE 53 N -2.57 3.25 0.23 2.20 -0.71 -1.26 -5.13 117.98 113.99 2kco s PHE 53 Ca 0.43 0.43 0.10 0.00 -1.04 0.00 0.00 56.93 56.85 2kco s PHE 53 Cb -0.01 -2.50 -0.04 0.00 -1.21 0.00 0.00 43.02 39.26 2kco s PHE 53 CO 0.25 -0.56 -0.07 0.15 -1.34 0.00 0.00 175.22 173.66 2kco s LYS 54 N -4.75 2.11 0.18 1.99 1.02 -1.26 -5.13 119.74 113.91 2kco s LYS 54 Ca 0.51 -1.40 -0.30 0.00 0.02 0.00 0.00 55.97 54.80 2kco s LYS 54 Cb -0.10 -2.11 -0.08 0.00 -0.52 0.00 0.00 37.83 35.02 2kco s LYS 54 CO 0.41 0.39 0.95 0.54 -0.92 0.00 0.00 175.35 176.72 2kco s VAL 55 N -2.08 4.25 -0.04 3.17 0.11 -1.26 -5.07 120.40 119.48 2kco s VAL 55 Ca 0.28 2.08 -0.12 0.00 -2.93 0.00 0.00 61.98 61.30 2kco s VAL 55 Cb -0.07 -4.32 -0.05 0.00 -1.53 0.00 0.00 36.38 30.40 2kco s VAL 55 CO 0.17 0.42 0.31 -0.13 -3.33 0.00 0.00 175.10 172.54 2kco s ARG 56 N -0.67 3.73 0.02 1.54 3.00 -1.26 -5.11 118.95 120.19 2kco s ARG 56 Ca 0.44 0.19 -0.01 0.00 0.00 0.00 0.00 55.73 56.35 2kco s ARG 56 Cb -0.25 -3.20 -0.04 0.00 0.00 0.00 0.00 34.95 31.46 2kco s ARG 56 CO 0.31 0.72 0.17 -0.51 0.00 0.00 0.00 175.30 176.00 2kco s LEU 57 N -1.10 4.28 0.00 2.53 1.02 -1.26 -5.13 118.68 119.02 2kco s LEU 57 Ca 0.21 0.28 0.08 0.00 0.02 0.00 0.00 54.13 54.72 2kco s LEU 57 Cb -0.15 -2.67 0.08 0.00 0.02 0.00 0.00 46.19 43.47 2kco s LEU 57 CO 0.10 0.23 0.69 0.29 0.02 0.00 0.00 176.35 177.68 2kco n LYS 58 N 0.75 0.66 -3.44 1.70 5.02 -1.26 -5.15 118.16 116.44 2kco n LYS 58 Ca -0.09 -2.70 -0.22 0.00 -2.02 0.00 0.00 58.31 53.28 2kco n LYS 58 Cb 0.52 -0.20 0.01 0.00 -0.02 0.00 0.00 35.03 35.34 2kco n LYS 58 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2kco s TYR 59 N -2.11 1.93 0.05 2.13 2.02 -1.26 -5.16 117.35 114.95 2kco s TYR 59 Ca 0.52 -0.68 0.02 0.00 -0.37 0.00 0.00 57.07 56.56 2kco s TYR 59 Cb -0.04 -2.12 -0.03 0.00 -0.40 0.00 0.00 41.96 39.37 2kco s TYR 59 CO 0.33 -0.62 -0.07 -0.08 -1.57 0.00 0.00 175.55 173.55 2kco s THR 60 N -2.62 0.49 -0.38 -0.71 -1.32 -1.26 -5.13 115.64 104.70 2kco s THR 60 Ca 0.49 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.75 2kco s THR 60 Cb -0.04 -0.76 0.10 0.00 -1.51 0.00 0.00 72.50 70.29 2kco s THR 60 CO 0.30 -0.50 0.14 -0.89 -2.21 0.00 0.00 174.62 171.46 2kco s THR 61 N -1.83 2.96 0.06 5.08 2.01 -1.26 -4.09 115.64 118.56 2kco s THR 61 Ca -0.07 -2.11 0.02 0.00 0.31 0.00 0.00 61.69 59.85 2kco s THR 61 Cb -0.07 -3.05 -0.03 0.00 0.01 0.00 0.00 72.50 69.36 2kco s THR 61 CO -0.01 -0.63 -0.08 -0.89 -0.69 0.00 0.00 174.62 172.32 2kco s THR 62 N 1.07 0.63 -0.08 -0.82 2.01 -0.71 -3.50 115.64 114.24 2kco s THR 62 Ca 0.08 -1.36 0.05 0.00 0.31 0.00 0.00 61.69 60.77 2kco s THR 62 Cb -0.21 -0.97 -0.00 0.00 0.01 0.00 0.00 72.50 71.32 2kco s THR 62 CO -0.05 -0.52 -0.24 0.00 -0.69 0.00 0.00 174.62 173.11 2kco s ALA 63 N -2.06 2.13 -0.59 7.40 0.00 -0.21 -1.93 121.76 126.49 2kco s ALA 63 Ca -0.03 -0.99 -0.10 0.00 0.00 0.00 0.00 51.96 50.85 2kco s ALA 63 Cb -0.05 -0.73 0.15 0.00 0.00 0.00 0.00 23.12 22.49 2kco s ALA 63 CO -0.01 0.35 0.48 1.21 0.00 0.00 0.00 175.76 177.79 2kco s ASN 64 N 0.10 5.93 -0.03 0.00 3.04 -0.39 -1.48 114.94 122.10 2kco s ASN 64 Ca -0.11 -2.26 -0.29 0.00 0.04 0.00 0.00 52.86 50.24 2kco s ASN 64 Cb -0.16 -2.05 -0.03 0.00 -1.54 0.00 0.00 41.25 37.47 2kco s ASN 64 CO 0.06 -0.62 0.92 0.68 -3.04 0.00 0.00 177.10 175.10 2kco s VAL 65 N 0.83 4.90 -0.02 -5.21 -7.23 0.49 -0.94 120.40 113.22 2kco s VAL 65 Ca 0.10 1.93 -0.30 0.00 -1.81 0.00 0.00 61.98 61.90 2kco s VAL 65 Cb -0.22 -4.26 -0.04 0.00 0.56 0.00 0.00 36.38 32.42 2kco s VAL 65 CO -0.03 0.16 1.23 -0.22 -0.31 0.00 0.00 175.10 175.93 2kco s LEU 66 N 1.09 4.31 -0.38 1.32 1.98 -0.45 1.00 118.68 127.55 2kco s LEU 66 Ca 0.48 1.91 -0.19 0.00 -2.89 0.00 0.00 54.13 53.44 2kco s LEU 66 Cb -0.20 -3.56 0.01 0.00 0.66 0.00 0.00 46.19 43.09 2kco s LEU 66 CO 0.25 -0.57 0.54 -0.62 -1.89 0.00 0.00 176.35 174.06 2kco s ASP 67 N 1.43 6.31 0.55 3.68 2.15 -0.51 -2.72 116.67 127.56 2kco s ASP 67 Ca 0.58 -0.15 0.26 0.00 0.43 0.00 0.00 52.55 53.67 2kco s ASP 67 Cb -0.27 -2.28 1.46 0.00 -0.30 0.00 0.00 42.92 41.53 2kco s ASP 67 CO 0.24 -0.56 2.01 1.55 -0.17 0.00 0.00 175.17 178.25 2kco h PRO 68 N 8.57 0.00 0.63 4.34 0.13 -1.89 0.20 132.00 143.99 2kco h PRO 68 Ca -0.27 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.83 2kco h PRO 68 Cb 1.12 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.25 2kco h PRO 68 CO 0.80 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.27 2kco h ALA 69 N 1.71 -0.87 0.00 -0.56 0.00 -1.93 -3.32 119.26 114.29 2kco h ALA 69 Ca 0.20 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2kco h ALA 69 Cb 0.88 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kco h ALA 69 CO -0.00 -0.81 -0.63 1.79 0.00 0.00 0.00 179.25 179.60 2kco h THR 70 N -1.19 0.00 -5.75 0.00 1.35 -1.99 -3.48 112.91 101.84 2kco h THR 70 Ca -0.09 -0.66 -0.36 0.00 -0.55 0.00 0.00 66.41 64.75 2kco h THR 70 Cb 0.65 1.28 0.15 0.00 -1.73 0.00 0.00 68.15 68.51 2kco h THR 70 CO 0.14 0.00 -0.73 -3.20 -0.25 0.00 0.00 175.52 171.49 2kco n ASN 71 N -2.35 -4.17 -4.15 5.36 2.85 0.71 -5.04 115.26 108.48 2kco n ASN 71 Ca 0.03 -0.58 -0.21 0.00 -0.11 0.00 0.00 54.58 53.71 2kco n ASN 71 Cb 0.47 -5.08 -0.14 0.00 1.24 0.00 0.00 39.78 36.28 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 -3.34 1.18 0.32 -0.44 -4.23 -1.21 -4.93 115.64 102.99 2kco s THR 72 Ca 0.29 -1.00 -0.16 0.00 -1.18 0.00 0.00 61.69 59.65 2kco s THR 72 Cb -0.13 -1.06 -0.09 0.00 1.34 0.00 0.00 72.50 72.57 2kco s THR 72 CO 0.73 0.05 0.75 0.00 -0.54 0.00 0.00 174.62 175.61 2kco s ALA 73 N -0.81 3.31 -0.17 3.99 0.00 -1.26 -1.43 121.76 125.39 2kco s ALA 73 Ca 0.03 0.07 -0.04 0.00 0.00 0.00 0.00 51.96 52.01 2kco s ALA 73 Cb -0.08 -2.80 0.08 0.00 0.00 0.00 0.00 23.12 20.33 2kco s ALA 73 CO 0.01 0.32 0.29 0.21 0.00 0.00 0.00 175.76 176.59 2kco s LYS 74 N -2.94 0.20 -0.48 0.00 2.20 0.28 -4.94 119.74 114.08 2kco s LYS 74 Ca 0.54 0.62 -0.14 0.00 -0.36 0.00 0.00 55.97 56.64 2kco s LYS 74 Cb -0.10 -0.33 0.09 0.00 -1.51 0.00 0.00 37.83 35.98 2kco s LYS 74 CO 0.17 -0.42 0.39 0.21 -0.36 0.00 0.00 175.35 175.34 2kco s LYS 75 N 2.44 2.85 0.14 4.03 2.20 -1.26 -0.38 119.74 129.76 2kco s LYS 75 Ca 0.04 -1.50 0.07 0.00 -0.36 0.00 0.00 55.97 54.22 2kco s LYS 75 Cb -0.13 -4.08 -0.04 0.00 -1.51 0.00 0.00 37.83 32.07 2kco s LYS 75 CO -0.11 -1.10 -0.16 0.14 -0.36 0.00 0.00 175.35 173.76 2kco s VAL 76 N 1.56 1.56 0.63 4.02 -7.23 -0.55 -4.98 120.40 115.41 2kco s VAL 76 Ca 0.04 -1.80 -0.17 0.00 -1.81 0.00 0.00 61.98 58.23 2kco s VAL 76 Cb -0.26 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.99 2kco s VAL 76 CO 0.04 -0.36 1.18 -0.75 -0.31 0.00 0.00 175.10 174.90 2kco s LYS 77 N -2.71 2.80 -0.05 4.82 2.20 -1.26 -1.05 119.74 124.49 2kco s LYS 77 Ca 0.12 1.71 -0.24 0.00 -0.36 0.00 0.00 55.97 57.20 2kco s LYS 77 Cb -0.05 -1.92 -0.04 0.00 -1.51 0.00 0.00 37.83 34.31 2kco s LYS 77 CO 0.05 -1.32 0.73 0.42 -0.36 0.00 0.00 175.35 174.87 2kco s ILE 78 N -1.83 5.00 0.00 5.43 1.01 -1.23 -3.10 121.20 126.49 2kco s ILE 78 Ca 0.74 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.91 2kco s ILE 78 Cb -0.28 -4.07 0.00 0.00 0.01 0.00 0.00 42.46 38.12 2kco s ILE 78 CO 0.37 0.26 0.00 0.18 0.00 0.00 0.00 174.94 175.74 2kco n LEU 79 N 3.67 1.00 -3.55 2.97 4.77 -0.16 -5.00 117.00 120.70 2kco n LEU 79 Ca -0.01 0.06 -0.09 0.00 -0.03 0.00 0.00 56.01 55.93 2kco n LEU 79 Cb 0.51 -0.13 -0.02 0.00 -2.33 0.00 0.00 43.42 41.46 2kco n LEU 79 CO 0.47 -0.13 0.51 -1.83 -1.33 0.00 0.00 177.39 175.09 2kco s GLU 80 N -0.25 1.26 -0.10 3.23 -1.05 -1.23 -4.97 118.70 115.59 2kco s GLU 80 Ca 0.00 -0.55 -0.18 0.00 -0.15 0.00 0.00 54.97 54.10 2kco s GLU 80 Cb 0.00 0.53 -0.04 0.00 -0.44 0.00 0.00 34.13 34.17 2kco s GLU 80 CO 0.00 -0.56 0.47 0.96 0.95 0.00 0.00 175.26 177.07 2kco s ILE 81 N -3.60 5.17 -0.05 1.83 -0.00 -1.26 -0.86 121.20 122.43 2kco s ILE 81 Ca 0.05 0.93 -0.04 0.00 -0.00 0.00 0.00 60.65 61.59 2kco s ILE 81 Cb -0.02 -3.80 -0.01 0.00 -0.00 0.00 0.00 42.46 38.62 2kco s ILE 81 CO -0.07 0.36 -0.08 0.18 -0.00 0.00 0.00 174.94 175.33 2kco n LEU 82 N 3.44 0.64 -4.59 0.37 7.99 -0.34 -4.74 117.00 119.77 2kco n LEU 82 Ca -0.08 0.29 -0.42 0.00 -0.01 0.00 0.00 56.01 55.79 2kco n LEU 82 Cb 0.52 -0.61 -0.03 0.00 -0.11 0.00 0.00 43.42 43.19 2kco n LEU 82 CO 0.42 -0.47 1.39 -0.70 -1.51 0.00 0.00 177.39 176.52 2kco s GLU 83 N -1.50 3.28 -0.27 3.23 2.12 -1.25 -4.96 118.70 119.34 2kco s GLU 83 Ca -0.07 0.90 -0.29 0.00 0.36 0.00 0.00 54.97 55.87 2kco s GLU 83 Cb 0.01 -4.16 0.01 0.00 0.26 0.00 0.00 34.13 30.25 2kco s GLU 83 CO 0.10 -1.94 1.09 0.99 -0.54 0.00 0.00 175.26 174.96 2kco s THR 84 N 6.61 4.54 0.83 -1.70 2.01 -1.26 -3.63 115.64 123.04 2kco s THR 84 Ca 0.65 1.81 -0.12 0.00 0.31 0.00 0.00 61.69 64.35 2kco s THR 84 Cb -0.15 -4.32 0.09 0.00 0.01 0.00 0.00 72.50 68.12 2kco s THR 84 CO 0.29 -0.33 1.10 -2.16 -0.69 0.00 0.00 174.62 172.83 2kco s PRO 85 N 3.49 1.82 0.57 4.92 0.04 -1.26 -4.95 135.00 139.63 2kco s PRO 85 Ca 0.46 0.67 0.33 0.00 0.04 0.00 0.00 61.00 62.50 2kco s PRO 85 Cb -0.14 -1.89 1.73 0.00 0.04 0.00 0.00 34.50 34.24 2kco s PRO 85 CO 0.12 -1.81 2.15 0.00 0.04 0.00 0.00 177.00 177.50 2kco h ALA 86 N -1.23 1.18 -0.91 8.56 0.00 -1.99 -1.88 119.26 122.98 2kco h ALA 86 Ca -0.48 -0.05 -0.65 0.00 0.00 0.00 0.00 54.91 53.73 2kco h ALA 86 Cb 1.28 -0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.80 2kco h ALA 86 CO 0.58 0.07 0.85 0.27 0.00 0.00 0.00 179.25 181.02 2kco n ASN 87 N -3.41 7.46 -0.23 0.00 6.94 -1.26 -4.77 115.26 119.99 2kco n ASN 87 Ca -0.02 -3.69 0.03 0.00 -0.02 0.00 0.00 54.58 50.88 2kco n ASN 87 Cb 0.19 -1.03 0.12 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 2.26 0.11 -0.30 -3.83 -0.00 -1.70 -1.28 116.57 111.84 2kco h LYS 88 Ca 0.55 -0.01 -0.01 0.00 -0.00 0.00 0.00 60.65 61.18 2kco h LYS 88 Cb 0.61 -0.03 -0.02 0.00 -0.00 0.00 0.00 32.23 32.80 2kco h LYS 88 CO 1.42 0.07 0.14 1.05 -0.00 0.00 0.00 179.45 182.14 2kco h GLU 89 N 0.12 0.41 0.01 0.07 4.11 -1.88 -1.50 114.58 115.90 2kco h GLU 89 Ca 0.36 -0.04 -0.07 0.00 0.07 0.00 0.00 59.36 59.68 2kco h GLU 89 Cb 0.60 -0.08 0.01 0.00 0.50 0.00 0.00 28.75 29.78 2kco h GLU 89 CO -0.58 0.32 -0.27 -0.07 0.07 0.00 0.00 179.01 178.48 2kco h LEU 90 N 0.41 0.22 -2.19 3.06 3.38 -1.65 -3.27 115.31 115.28 2kco h LEU 90 Ca 0.11 -0.81 0.06 0.00 0.09 0.00 0.00 57.88 57.33 2kco h LEU 90 Cb 0.05 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2kco h LEU 90 CO -0.02 1.00 0.26 0.00 0.09 0.00 0.00 178.44 179.78 2kco h ALA 91 N 0.23 1.77 -0.41 1.53 0.00 -0.35 0.08 119.26 122.11 2kco h ALA 91 Ca -0.04 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.75 2kco h ALA 91 Cb 1.05 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2kco h ALA 91 CO 0.05 -0.37 -0.23 0.00 0.00 0.00 0.00 179.25 178.70 2kco h ARG 92 N 0.00 0.83 0.00 0.00 3.08 -1.35 -2.33 114.38 114.61 2kco h ARG 92 Ca 0.10 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2kco h ARG 92 Cb 0.62 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.64 2kco h ARG 92 CO -0.00 0.98 0.00 0.00 -1.07 0.00 0.00 179.97 179.88 2kco h ARG 93 N 0.72 0.00 0.00 0.04 3.08 -1.16 -3.47 114.38 113.59 2kco h ARG 93 Ca 0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 2kco h ARG 93 Cb 0.77 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.82 2kco h ARG 93 CO 0.06 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.37 2kco n GLY 94 N 0.76 0.72 3.57 0.04 0.00 -0.38 -4.89 105.19 105.01 2kco n GLY 94 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.00 4.05 -0.07 -0.61 -1.09 -0.20 -4.82 121.20 116.46 2kco s ILE 95 Ca 0.00 -1.49 -0.04 0.00 -2.23 0.00 0.00 60.65 56.89 2kco s ILE 95 Cb 0.00 -5.15 -0.04 0.00 -1.58 0.00 0.00 42.46 35.70 2kco s ILE 95 CO 0.00 -1.99 0.10 -0.63 -1.23 0.00 0.00 174.94 171.19 2kco s ILE 96 N 4.49 5.07 0.14 2.92 1.01 -1.26 -1.70 121.20 131.87 2kco s ILE 96 Ca 0.51 -0.09 -0.06 0.00 0.00 0.00 0.00 60.65 61.01 2kco s ILE 96 Cb 0.02 -3.25 -0.06 0.00 0.01 0.00 0.00 42.46 39.19 2kco s ILE 96 CO 0.01 0.51 0.39 -0.51 0.00 0.00 0.00 174.94 175.34 2kco s ILE 97 N -1.09 5.14 0.20 2.92 2.07 -1.26 -4.06 121.20 125.12 2kco s ILE 97 Ca 0.18 0.13 -0.33 0.00 -1.41 0.00 0.00 60.65 59.22 2kco s ILE 97 Cb -0.12 -3.62 -0.13 0.00 0.13 0.00 0.00 42.46 38.72 2kco s ILE 97 CO 0.08 0.06 1.59 -1.14 -1.91 0.00 0.00 174.94 173.63 2kco n ARG 98 N 0.18 2.35 0.00 3.50 0.63 -1.25 -2.88 116.66 119.19 2kco n ARG 98 Ca -0.03 0.84 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 2kco n ARG 98 Cb 0.52 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.81 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 3.23 1.37 3.73 5.14 0.00 -0.45 -5.02 105.19 113.19 2kco n GLY 99 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 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 -1.62 3.27 0.17 4.61 0.00 -1.14 -4.83 121.76 122.23 2kco s ALA 100 Ca 0.00 0.46 -0.30 0.00 0.00 0.00 0.00 51.96 52.12 2kco s ALA 100 Cb 0.00 -3.19 -0.07 0.00 0.00 0.00 0.00 23.12 19.86 2kco s ALA 100 CO 0.00 -0.04 0.99 0.15 0.00 0.00 0.00 175.76 176.86 2kco s LYS 101 N 0.21 4.72 0.07 0.00 3.01 -1.24 -2.47 119.74 124.03 2kco s LYS 101 Ca 0.45 1.54 0.04 0.00 -1.01 0.00 0.00 55.97 56.99 2kco s LYS 101 Cb -0.22 -3.32 -0.03 0.00 -1.01 0.00 0.00 37.83 33.26 2kco s LYS 101 CO 0.27 0.27 -0.11 -1.50 0.51 0.00 0.00 175.35 174.79 2kco s ILE 102 N -0.46 0.86 -0.10 2.17 2.07 -0.21 -1.20 121.20 124.32 2kco s ILE 102 Ca 0.46 -1.32 -0.01 0.00 -1.41 0.00 0.00 60.65 58.36 2kco s ILE 102 Cb -0.26 -0.99 -0.03 0.00 0.13 0.00 0.00 42.46 41.31 2kco s ILE 102 CO 0.32 -0.38 -0.05 -0.13 -1.91 0.00 0.00 174.94 172.79 2kco s ARG 103 N -1.99 3.13 0.49 3.50 0.52 -0.04 -0.92 118.95 123.64 2kco s ARG 103 Ca -0.03 -0.52 0.01 0.00 -0.52 0.00 0.00 55.73 54.68 2kco s ARG 103 Cb -0.08 -2.73 -0.01 0.00 0.52 0.00 0.00 34.95 32.65 2kco s ARG 103 CO 0.01 0.51 0.04 0.95 0.02 0.00 0.00 175.30 176.83 2kco s THR 104 N -0.38 0.92 0.53 0.02 -4.23 -0.55 -0.98 115.64 110.97 2kco s THR 104 Ca 0.06 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.76 2kco s THR 104 Cb -0.12 -2.13 0.29 0.00 1.34 0.00 0.00 72.50 71.87 2kco s THR 104 CO 0.02 0.00 2.17 -0.33 -0.54 0.00 0.00 174.62 175.94 2kco h GLU 105 N 1.43 0.00 0.00 3.99 4.39 -1.85 -3.29 114.58 119.25 2kco h GLU 105 Ca -0.41 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.29 2kco h GLU 105 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2kco h GLU 105 CO 0.68 0.01 -0.00 0.00 -1.16 0.00 0.00 179.01 178.54 2kco h ALA 106 N 1.99 -0.18 -2.49 3.43 0.00 -1.96 -3.51 119.26 116.54 2kco h ALA 106 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2kco h ALA 106 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2kco h ALA 106 CO 0.00 -0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.48 2kco n GLY 107 N 1.46 2.31 3.74 0.00 0.00 -1.24 -5.13 105.19 106.33 2kco n GLY 107 Ca -0.00 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 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 4.44 0.20 0.99 2.96 -1.26 -1.48 118.68 124.53 2kco s LEU 108 Ca 0.00 2.29 0.03 0.00 -0.22 0.00 0.00 54.13 56.23 2kco s LEU 108 Cb 0.00 -3.61 -0.05 0.00 0.50 0.00 0.00 46.19 43.03 2kco s LEU 108 CO 0.00 -0.43 -0.01 0.00 -1.32 0.00 0.00 176.35 174.60 2kco s ALA 109 N -0.01 1.61 -0.16 5.97 0.00 -0.10 -1.16 121.76 127.92 2kco s ALA 109 Ca 0.54 -1.68 -0.03 0.00 0.00 0.00 0.00 51.96 50.79 2kco s ALA 109 Cb -0.34 0.49 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2kco s ALA 109 CO 0.37 -0.27 -0.05 0.54 0.00 0.00 0.00 175.76 176.36 2kco s VAL 110 N -3.51 3.77 -0.00 0.00 0.11 -0.22 -1.05 120.40 119.50 2kco s VAL 110 Ca 0.26 -0.40 -0.30 0.00 -2.93 0.00 0.00 61.98 58.61 2kco s VAL 110 Cb 0.06 -2.65 -0.07 0.00 -1.53 0.00 0.00 36.38 32.19 2kco s VAL 110 CO 0.06 0.49 1.67 0.68 -3.33 0.00 0.00 175.10 174.68 2kco s VAL 111 N 0.47 3.37 -0.18 2.04 -7.23 -1.03 -1.03 120.40 116.80 2kco s VAL 111 Ca -0.04 0.59 0.13 0.00 -1.81 0.00 0.00 61.98 60.85 2kco s VAL 111 Cb -0.14 -3.38 0.27 0.00 0.56 0.00 0.00 36.38 33.69 2kco s VAL 111 CO 0.03 -0.03 1.18 1.07 -0.31 0.00 0.00 175.10 177.03 2kco n THR 112 N 5.22 1.68 -4.14 5.32 5.66 -0.59 -1.34 114.28 126.09 2kco n THR 112 Ca 0.17 -1.79 -0.13 0.00 -3.05 0.00 0.00 64.05 59.26 2kco n THR 112 Cb 0.42 -0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.12 2kco n THR 112 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 2kco s SER 113 N -2.09 0.39 0.34 1.09 1.04 -1.01 -4.96 113.70 108.50 2kco s SER 113 Ca 0.26 -1.32 -0.11 0.00 0.48 0.00 0.00 55.95 55.25 2kco s SER 113 Cb 0.21 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.77 2kco s SER 113 CO 0.05 -1.03 0.70 -0.13 0.98 0.00 0.00 173.24 173.81 2kco s ARG 114 N -3.85 3.83 0.14 4.02 3.00 -1.26 -3.76 118.95 121.07 2kco s ARG 114 Ca 0.33 0.45 -0.32 0.00 0.00 0.00 0.00 55.73 56.19 2kco s ARG 114 Cb 0.03 -2.47 -0.12 0.00 0.00 0.00 0.00 34.95 32.40 2kco s ARG 114 CO 0.14 0.10 1.78 -0.35 0.00 0.00 0.00 175.30 176.97 2kco n PRO 115 N -0.81 2.67 -1.18 3.54 -0.04 -1.26 -4.72 135.00 133.19 2kco n PRO 115 Ca 0.02 0.97 -0.29 0.00 -0.04 0.00 0.00 63.50 64.16 2kco n PRO 115 Cb 0.53 -2.83 0.16 0.00 -0.04 0.00 0.00 33.50 31.33 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 2.16 1.59 0.56 0.55 0.00 -0.86 -4.94 107.32 106.38 2kco s GLY 116 Ca 0.80 -0.25 0.35 0.00 0.00 0.00 0.00 44.72 45.62 2kco s GLY 116 CO 0.37 0.32 2.05 -1.61 0.00 0.00 0.00 173.10 174.23 2kco h GLN 117 N -1.76 0.00 0.00 2.90 4.15 -1.95 -1.00 115.11 117.44 2kco h GLN 117 Ca -0.53 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.89 2kco h GLN 117 Cb 1.31 0.00 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2kco h GLN 117 CO 0.56 0.03 0.00 -0.25 -1.93 0.00 0.00 178.83 177.24 2kco n ASP 118 N -3.16 0.00 -0.58 -0.69 8.00 -1.26 -4.88 116.55 113.99 2kco n ASP 118 Ca -0.00 0.20 -0.07 0.00 0.71 0.00 0.00 54.79 55.62 2kco n ASP 118 Cb 0.27 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kco n GLY 119 N 0.43 0.91 3.44 0.44 0.00 -0.38 -4.21 105.19 105.83 2kco n GLY 119 Ca 0.08 -0.71 -0.37 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.28 4.40 -0.26 1.61 1.01 -1.25 -1.75 120.40 121.88 2kco s VAL 120 Ca 0.00 -0.24 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2kco s VAL 120 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.26 2kco s VAL 120 CO 0.00 0.26 0.04 -0.63 0.00 0.00 0.00 175.10 174.78 2kco s ILE 121 N 1.61 3.93 0.09 2.22 1.09 -0.81 -2.03 121.20 127.29 2kco s ILE 121 Ca 0.06 -0.47 -0.31 0.00 -1.10 0.00 0.00 60.65 58.83 2kco s ILE 121 Cb -0.16 -2.90 -0.07 0.00 -1.06 0.00 0.00 42.46 38.27 2kco s ILE 121 CO 0.04 0.25 1.41 0.20 -0.10 0.00 0.00 174.94 176.75 2kco s ASN 122 N 1.53 6.81 0.27 3.58 0.01 -1.26 -1.27 114.94 124.61 2kco s ASN 122 Ca 0.05 2.30 0.04 0.00 -0.71 0.00 0.00 52.86 54.54 2kco s ASN 122 Cb -0.16 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 38.87 2kco s ASN 122 CO 0.01 -0.69 -0.00 0.00 -1.51 0.00 0.00 177.10 174.91 2kco s ALA 123 N 1.49 2.08 -0.13 0.60 0.00 -0.11 -1.55 121.76 124.14 2kco s ALA 123 Ca 0.65 -1.87 0.03 0.00 0.00 0.00 0.00 51.96 50.77 2kco s ALA 123 Cb -0.36 0.46 0.01 0.00 0.00 0.00 0.00 23.12 23.22 2kco s ALA 123 CO 0.30 -0.22 -0.22 0.08 0.00 0.00 0.00 175.76 175.69 2kco s VAL 124 N -3.29 2.07 -0.06 0.00 1.01 -0.20 -1.34 120.40 118.60 2kco s VAL 124 Ca 0.31 -0.99 -0.29 0.00 0.00 0.00 0.00 61.98 61.01 2kco s VAL 124 Cb 0.06 -1.82 -0.07 0.00 0.00 0.00 0.00 36.38 34.56 2kco s VAL 124 CO 0.11 0.55 1.88 -0.76 0.00 0.00 0.00 175.10 176.88 2kco s LEU 125 N 0.69 4.19 0.26 3.92 1.43 -1.10 -1.06 118.68 127.01 2kco s LEU 125 Ca -0.10 2.31 0.00 0.00 -1.03 0.00 0.00 54.13 55.31 2kco s LEU 125 Cb -0.16 -3.53 0.34 0.00 0.03 0.00 0.00 46.19 42.87 2kco s LEU 125 CO 0.01 -1.19 1.70 -0.07 0.23 0.00 0.00 176.35 177.03 2kco h LEU 126 N 11.34 0.58 0.00 1.79 3.38 -1.45 -3.41 115.31 127.53 2kco h LEU 126 Ca -0.44 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.34 2kco h LEU 126 Cb 1.21 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2kco h LEU 126 CO 0.95 0.81 0.00 0.29 0.09 0.00 0.00 178.44 180.58 2kco n LYS 127 N -4.12 0.00 -4.87 1.13 4.76 -1.24 -4.53 118.16 109.28 2kco n LYS 127 Ca -0.00 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.11 2kco n LYS 127 Cb 0.41 0.00 -0.14 0.00 -1.84 0.00 0.00 35.03 33.46 2kco n LYS 127 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kco s ASN 128 N 0.00 3.91 -0.02 4.39 6.03 -1.26 -4.95 114.94 123.04 2kco s ASN 128 Ca 0.00 -0.30 0.02 0.00 -1.03 0.00 0.00 52.86 51.55 2kco s ASN 128 Cb 0.00 -1.29 -0.03 0.00 -3.03 0.00 0.00 41.25 36.90 2kco s ASN 128 CO 0.00 0.23 -0.05 -1.83 -2.03 0.00 0.00 177.10 173.42 2kco s GLU 129 N -0.06 2.66 -1.48 3.55 1.03 -1.26 -5.03 118.70 118.11 2kco s GLU 129 Ca -0.03 -0.64 -0.13 0.00 0.03 0.00 0.00 54.97 54.20 2kco s GLU 129 Cb -0.14 -2.57 0.02 0.00 -0.80 0.00 0.00 34.13 30.65 2kco s GLU 129 CO 0.04 0.63 2.35 0.43 -1.33 0.00 0.00 175.26 177.38 2kco n SER 130 N 1.75 4.85 -4.60 0.83 7.64 -1.26 -4.95 113.62 117.89 2kco n SER 130 Ca -0.16 -2.81 -0.43 0.00 1.01 0.00 0.00 58.87 56.48 2kco n SER 130 Cb 0.53 -1.63 -0.02 0.00 -1.01 0.00 0.00 64.21 62.08 2kco n SER 130 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kco s GLN 131 N 2.84 3.65 -0.72 1.43 -2.07 -1.26 -4.97 119.66 118.56 2kco s GLN 131 Ca 0.51 0.82 -0.27 0.00 -1.82 0.00 0.00 55.36 54.60 2kco s GLN 131 Cb 0.15 -3.97 0.02 0.00 -1.09 0.00 0.00 33.01 28.11 2kco s GLN 131 CO -0.08 -1.47 1.46 0.50 -1.32 0.00 0.00 175.29 174.38 2kco s ARG 132 N 4.71 3.05 0.00 9.60 3.00 -1.26 -5.33 118.95 132.72 2kco s ARG 132 Ca 0.56 -0.06 0.31 0.00 -1.00 0.00 0.00 55.73 55.54 2kco s ARG 132 Cb -0.11 -4.32 1.74 0.00 0.00 0.00 0.00 34.95 32.26 2kco s ARG 132 CO 0.32 -2.34 2.13 -1.13 0.00 0.00 0.00 175.30 174.28