#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 4.18 2.48 3.03 0.00 -1.26 -4.91 105.19 108.70 2kco n GLY 2 Ca 0.00 -1.44 -0.18 0.00 0.00 0.00 0.00 46.02 44.40 2kco n GLY 2 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2kco n PHE 3 N 0.00 -0.26 -3.35 1.61 3.72 -1.26 -4.98 117.46 112.94 2kco n PHE 3 Ca 0.00 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 56.97 2kco n PHE 3 Cb 0.00 -3.26 -0.08 0.00 -0.94 0.00 0.00 39.48 35.20 2kco n PHE 3 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 176.76 177.42 2kco s TYR 4 N -2.75 3.19 0.32 1.38 2.02 -1.26 -5.07 117.35 115.18 2kco s TYR 4 Ca 0.00 -0.58 -0.10 0.00 -0.37 0.00 0.00 57.07 56.02 2kco s TYR 4 Cb 0.00 -2.97 -0.07 0.00 -0.40 0.00 0.00 41.96 38.52 2kco s TYR 4 CO 0.00 -0.74 0.67 -1.14 -1.57 0.00 0.00 175.55 172.77 2kco s GLN 5 N 1.97 3.81 0.14 -0.62 0.74 -1.26 -5.10 119.66 119.33 2kco s GLN 5 Ca 0.09 0.38 -0.05 0.00 0.05 0.00 0.00 55.36 55.83 2kco s GLN 5 Cb -0.19 -2.51 -0.06 0.00 1.10 0.00 0.00 33.01 31.35 2kco s GLN 5 CO 0.11 0.14 0.38 0.20 -0.55 0.00 0.00 175.29 175.56 2kco s GLY 6 N -2.78 2.24 0.11 2.59 0.00 -1.26 -5.08 107.32 103.14 2kco s GLY 6 Ca 0.50 -0.55 -0.30 0.00 0.00 0.00 0.00 44.72 44.36 2kco s GLY 6 CO 0.26 -0.47 1.15 2.56 0.00 0.00 0.00 173.10 176.60 2kco s PRO 7 N -2.62 4.50 -0.02 2.90 0.04 -1.26 -5.01 135.00 133.52 2kco s PRO 7 Ca 0.41 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 62.88 2kco s PRO 7 Cb -0.12 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 2kco s PRO 7 CO 0.24 -0.12 1.33 -0.51 0.04 0.00 0.00 177.00 177.98 2kco s ASP 8 N 0.58 6.92 0.07 6.66 1.01 -1.26 -5.01 116.67 125.64 2kco s ASP 8 Ca 0.55 1.99 -0.30 0.00 0.71 0.00 0.00 52.55 55.50 2kco s ASP 8 Cb -0.29 -2.56 -0.05 0.00 1.01 0.00 0.00 42.92 41.03 2kco s ASP 8 CO 0.32 -0.67 1.15 0.21 0.21 0.00 0.00 175.17 176.38 2kco s ASN 9 N 1.75 7.16 -0.26 0.27 2.47 -1.26 -5.02 114.94 120.04 2kco s ASN 9 Ca 0.61 1.97 -0.27 0.00 0.42 0.00 0.00 52.86 55.59 2kco s ASN 9 Cb -0.29 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 36.94 2kco s ASN 9 CO 0.25 -0.40 0.93 -0.13 -3.72 0.00 0.00 177.10 174.03 2kco s ARG 10 N 0.83 4.16 0.20 0.43 3.00 -1.26 -5.03 118.95 121.28 2kco s ARG 10 Ca 0.56 1.05 -0.30 0.00 0.00 0.00 0.00 55.73 57.04 2kco s ARG 10 Cb -0.28 -3.67 -0.09 0.00 0.00 0.00 0.00 34.95 30.91 2kco s ARG 10 CO 0.30 -0.64 1.29 0.15 0.00 0.00 0.00 175.30 176.40 2kco s LYS 11 N 3.11 4.41 0.06 3.54 1.02 -1.26 -4.97 119.74 125.64 2kco s LYS 11 Ca 0.39 2.03 -0.33 0.00 0.02 0.00 0.00 55.97 58.08 2kco s LYS 11 Cb -0.14 -3.20 -0.12 0.00 -0.52 0.00 0.00 37.83 33.85 2kco s LYS 11 CO 0.09 -0.22 1.78 -0.89 -0.92 0.00 0.00 175.35 175.19 2kco n ILE 12 N 2.53 0.34 -4.49 2.17 5.41 -1.26 -5.00 119.36 119.06 2kco n ILE 12 Ca 0.06 -0.06 -0.24 0.00 1.00 0.00 0.00 62.75 63.51 2kco n ILE 12 Cb 0.43 -1.86 -0.10 0.00 -0.71 0.00 0.00 39.64 37.40 2kco n ILE 12 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.55 176.83 2kco s THR 13 N 2.68 1.96 -0.16 1.39 -1.32 -1.26 -5.17 115.64 113.76 2kco s THR 13 Ca 0.85 -2.17 -0.29 0.00 -1.21 0.00 0.00 61.69 58.88 2kco s THR 13 Cb -0.62 -2.55 0.09 0.00 -1.51 0.00 0.00 72.50 67.91 2kco s THR 13 CO 0.43 -0.25 0.80 -0.83 -2.21 0.00 0.00 174.62 172.56 2kco s GLY 14 N -3.53 -0.45 0.00 6.08 0.00 -1.26 -5.19 107.32 102.97 2kco s GLY 14 Ca 0.31 1.82 0.00 0.00 0.00 0.00 0.00 44.72 46.85 2kco s GLY 14 CO 0.14 1.28 0.00 0.61 0.00 0.00 0.00 173.10 175.13 2kco n GLY 15 N 1.46 0.93 2.87 0.20 0.00 -1.26 -5.13 105.19 104.27 2kco n GLY 15 Ca -0.15 -1.90 0.02 0.00 0.00 0.00 0.00 46.02 43.99 2kco n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kco s LEU 16 N 0.00 -0.53 -0.62 0.99 2.96 -1.26 -5.12 118.68 115.09 2kco s LEU 16 Ca 0.00 -0.24 -0.25 0.00 -0.22 0.00 0.00 54.13 53.42 2kco s LEU 16 Cb 0.00 0.74 0.04 0.00 0.50 0.00 0.00 46.19 47.47 2kco s LEU 16 CO 0.00 -0.06 1.06 -0.75 -1.32 0.00 0.00 176.35 175.28 2kco s LYS 17 N 2.03 3.27 -0.31 1.98 2.47 -1.26 -5.02 119.74 122.91 2kco s LYS 17 Ca 0.16 -0.33 -0.27 0.00 -1.56 0.00 0.00 55.97 53.97 2kco s LYS 17 Cb 0.01 -4.12 0.01 0.00 -1.46 0.00 0.00 37.83 32.28 2kco s LYS 17 CO -0.14 -1.74 0.96 0.20 0.16 0.00 0.00 175.35 174.79 2kco s GLY 18 N 3.27 1.63 0.75 5.54 0.00 -1.26 -5.06 107.32 112.19 2kco s GLY 18 Ca 0.31 -0.17 -0.06 0.00 0.00 0.00 0.00 44.72 44.80 2kco s GLY 18 CO 0.17 2.06 1.06 0.54 0.00 0.00 0.00 173.10 176.93 2kco s LYS 19 N 3.34 1.71 0.08 2.90 3.01 -1.26 -5.14 119.74 124.39 2kco s LYS 19 Ca 0.40 -0.61 -0.00 0.00 -1.01 0.00 0.00 55.97 54.75 2kco s LYS 19 Cb -0.13 -2.17 -0.04 0.00 -1.01 0.00 0.00 37.83 34.47 2kco s LYS 19 CO 0.13 -1.53 -0.02 -3.38 0.51 0.00 0.00 175.35 171.06 2kco s HIS 20 N -3.32 0.72 0.05 3.18 -3.43 -1.26 -5.18 115.29 106.05 2kco s HIS 20 Ca 0.65 -1.06 0.04 0.00 -0.80 0.00 0.00 55.06 53.89 2kco s HIS 20 Cb -0.07 -0.46 -0.02 0.00 -1.43 0.00 0.00 32.58 30.60 2kco s HIS 20 CO 0.46 -0.34 -0.12 1.03 -2.00 0.00 0.00 174.74 173.77 2kco s ARG 21 N -3.92 0.76 0.79 -0.38 0.52 -1.26 -5.17 118.95 110.30 2kco s ARG 21 Ca 0.12 -0.80 -0.12 0.00 -0.52 0.00 0.00 55.73 54.41 2kco s ARG 21 Cb 0.07 -0.72 0.07 0.00 0.52 0.00 0.00 34.95 34.89 2kco s ARG 21 CO -0.06 0.16 1.17 -0.51 0.02 0.00 0.00 175.30 176.08 2kco s ASP 22 N -1.41 4.66 0.13 0.23 1.11 -1.26 -5.12 116.67 115.01 2kco s ASP 22 Ca -0.02 0.84 0.05 0.00 0.18 0.00 0.00 52.55 53.59 2kco s ASP 22 Cb -0.09 -1.38 -0.04 0.00 1.07 0.00 0.00 42.92 42.48 2kco s ASP 22 CO 0.01 -1.82 -0.12 -1.59 1.18 0.00 0.00 175.17 172.84 2kco s LYS 23 N -5.54 1.03 -0.24 8.23 0.00 -1.26 -5.11 119.74 116.85 2kco s LYS 23 Ca 0.61 -1.33 -0.29 0.00 0.00 0.00 0.00 55.97 54.96 2kco s LYS 23 Cb -0.11 -0.74 -0.02 0.00 0.00 0.00 0.00 37.83 36.96 2kco s LYS 23 CO 0.49 0.12 1.59 0.50 0.00 0.00 0.00 175.35 178.06 2kco s ARG 24 N -3.18 3.78 0.76 1.78 6.06 -1.26 -5.00 118.95 121.89 2kco s ARG 24 Ca 0.12 1.60 -0.11 0.00 -2.50 0.00 0.00 55.73 54.84 2kco s ARG 24 Cb -0.01 -4.03 0.05 0.00 0.06 0.00 0.00 34.95 31.01 2kco s ARG 24 CO 0.02 -1.31 1.09 0.15 -2.50 0.00 0.00 175.30 172.75 2kco s LYS 25 N 4.68 2.41 0.75 5.12 1.02 -1.26 -5.02 119.74 127.45 2kco s LYS 25 Ca 0.70 0.63 -0.15 0.00 0.02 0.00 0.00 55.97 57.17 2kco s LYS 25 Cb -0.24 -1.96 0.04 0.00 -0.52 0.00 0.00 37.83 35.15 2kco s LYS 25 CO 0.29 -1.39 1.12 2.48 -0.92 0.00 0.00 175.35 176.94 2kco n TYR 26 N -3.27 1.14 -3.95 3.18 4.11 -1.26 -5.08 117.16 112.03 2kco n TYR 26 Ca 0.07 0.40 -0.09 0.00 -0.00 0.00 0.00 57.90 58.29 2kco n TYR 26 Cb 0.56 -2.12 -0.08 0.00 -0.00 0.00 0.00 39.34 37.70 2kco n TYR 26 CO 0.00 0.00 0.00 -1.83 -0.00 0.00 0.00 176.86 175.03 2kco s GLU 27 N -3.69 0.85 0.07 -3.48 4.04 -1.26 -5.19 118.70 110.04 2kco s GLU 27 Ca 0.75 -1.09 0.08 0.00 0.04 0.00 0.00 54.97 54.75 2kco s GLU 27 Cb -0.33 0.31 -0.03 0.00 0.02 0.00 0.00 34.13 34.10 2kco s GLU 27 CO 0.49 -0.26 -0.22 0.42 -1.84 0.00 0.00 175.26 173.85 2kco s ILE 28 N -3.91 1.77 0.00 1.83 1.01 -1.26 -5.16 121.20 115.49 2kco s ILE 28 Ca 0.09 -1.36 0.00 0.00 0.00 0.00 0.00 60.65 59.37 2kco s ILE 28 Cb 0.06 -1.56 0.00 0.00 0.01 0.00 0.00 42.46 40.96 2kco s ILE 28 CO -0.08 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.60 2kco n GLY 29 N 1.54 1.01 3.30 6.18 0.00 -1.26 -5.11 105.19 110.85 2kco n GLY 29 Ca -0.18 -1.47 -0.31 0.00 0.00 0.00 0.00 46.02 44.06 2kco n GLY 29 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2kco s ASN 30 N -1.00 3.01 0.75 1.61 0.01 -1.26 -5.15 114.94 112.91 2kco s ASN 30 Ca 0.00 -0.47 -0.11 0.00 -0.71 0.00 0.00 52.86 51.57 2kco s ASN 30 Cb 0.00 -0.35 0.04 0.00 0.41 0.00 0.00 41.25 41.35 2kco s ASN 30 CO 0.00 0.31 1.09 -2.16 -1.51 0.00 0.00 177.10 174.83 2kco s PRO 31 N -0.59 2.47 0.28 -0.60 0.04 -1.26 -5.01 135.00 130.33 2kco s PRO 31 Ca 0.09 0.69 -0.29 0.00 0.04 0.00 0.00 61.00 61.54 2kco s PRO 31 Cb -0.10 -1.96 -0.14 0.00 0.04 0.00 0.00 34.50 32.34 2kco s PRO 31 CO -0.01 -1.36 1.07 -2.30 0.04 0.00 0.00 177.00 174.44 2kco n PRO 32 N -3.27 1.46 0.00 0.56 -0.02 -1.26 -5.01 135.00 127.46 2kco n PRO 32 Ca 0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 2kco n PRO 32 Cb 0.56 -1.93 0.00 0.00 -0.02 0.00 0.00 33.50 32.11 2kco n PRO 32 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2kco n THR 33 N 0.42 0.00 -4.25 3.45 -2.24 -1.26 -5.08 114.28 105.32 2kco n THR 33 Ca 0.10 0.00 -0.15 0.00 -2.27 0.00 0.00 64.05 61.73 2kco n THR 33 Cb 0.32 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 68.29 2kco n THR 33 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2kco s PHE 34 N 0.02 1.29 -0.16 4.78 0.08 -1.26 -5.16 117.98 117.57 2kco s PHE 34 Ca 0.00 -0.73 -0.07 0.00 0.12 0.00 0.00 56.93 56.25 2kco s PHE 34 Cb 0.00 -0.65 0.07 0.00 -0.57 0.00 0.00 43.02 41.87 2kco s PHE 34 CO 0.00 0.10 0.36 0.99 -0.10 0.00 0.00 175.22 176.57 2kco s THR 35 N -3.23 -0.35 1.15 0.64 2.01 -1.26 -5.18 115.64 109.42 2kco s THR 35 Ca 0.16 0.17 -0.19 0.00 0.31 0.00 0.00 61.69 62.14 2kco s THR 35 Cb 0.02 -0.56 0.28 0.00 0.01 0.00 0.00 72.50 72.25 2kco s THR 35 CO 0.01 0.07 1.15 0.35 -0.69 0.00 0.00 174.62 175.51 2kco n THR 36 N 4.93 0.00 -4.39 -0.82 -2.24 -1.26 -5.12 114.28 105.39 2kco n THR 36 Ca -0.14 -0.62 -0.20 0.00 -2.27 0.00 0.00 64.05 60.82 2kco n THR 36 Cb 0.51 -1.32 -0.10 0.00 -2.10 0.00 0.00 70.33 67.33 2kco n THR 36 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kco s LEU 37 N 0.00 2.46 -0.09 3.22 -0.00 -1.26 -5.07 118.68 117.94 2kco s LEU 37 Ca 0.72 -1.15 0.14 0.00 -0.00 0.00 0.00 54.13 53.84 2kco s LEU 37 Cb -0.05 -0.58 0.21 0.00 -0.00 0.00 0.00 46.19 45.77 2kco s LEU 37 CO 0.54 -0.32 1.11 -1.20 -0.00 0.00 0.00 176.35 176.47 2kco n SER 38 N -0.50 1.67 -0.28 1.48 7.64 -1.26 -4.79 113.62 117.60 2kco n SER 38 Ca -0.06 -2.79 -0.02 0.00 1.01 0.00 0.00 58.87 57.00 2kco n SER 38 Cb 0.63 -0.37 0.10 0.00 -1.01 0.00 0.00 64.21 63.56 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 0.02 1.02 -0.92 -0.43 0.00 -1.99 -1.22 119.26 115.74 2kco h ALA 39 Ca -0.00 -0.02 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2kco h ALA 39 Cb 1.12 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 18.59 2kco h ALA 39 CO 0.00 0.27 0.56 1.05 0.00 0.00 0.00 179.25 181.13 2kco h GLU 40 N 0.93 0.90 -0.13 0.00 4.11 -2.00 -2.31 114.58 116.08 2kco h GLU 40 Ca 0.31 -0.05 -0.17 0.00 0.07 0.00 0.00 59.36 59.52 2kco h GLU 40 Cb 0.04 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.08 2kco h GLU 40 CO -0.12 0.60 -0.63 0.22 0.07 0.00 0.00 179.01 179.15 2kco h ASP 41 N 0.93 0.54 -0.47 3.06 3.58 -1.62 -2.71 116.42 119.74 2kco h ASP 41 Ca 0.44 -0.32 -0.04 0.00 0.42 0.00 0.00 57.03 57.53 2kco h ASP 41 Cb 0.38 -0.16 -0.02 0.00 1.72 0.00 0.00 39.33 41.25 2kco h ASP 41 CO -0.24 1.03 0.16 0.40 -2.88 0.00 0.00 179.24 177.71 2kco h ILE 42 N 0.35 1.21 -0.12 2.25 1.08 -0.94 -1.83 117.51 119.51 2kco h ILE 42 Ca -0.01 -0.71 -0.09 0.00 -0.39 0.00 0.00 64.86 63.66 2kco h ILE 42 Cb 1.18 0.64 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 2kco h ILE 42 CO 0.11 0.27 -0.31 0.03 -0.69 0.00 0.00 178.15 177.56 2kco h ARG 43 N 0.76 0.22 -0.02 2.37 2.47 -1.13 -1.33 114.38 117.72 2kco h ARG 43 Ca 0.17 -0.08 -0.21 0.00 -1.26 0.00 0.00 59.98 58.60 2kco h ARG 43 Cb 0.23 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.53 2kco h ARG 43 CO -0.01 0.52 -0.87 0.97 0.56 0.00 0.00 179.97 181.14 2kco h ILE 44 N 0.20 1.41 -0.61 2.04 6.09 -1.14 -0.83 117.51 124.67 2kco h ILE 44 Ca 0.03 -2.39 -0.02 0.00 -1.37 0.00 0.00 64.86 61.10 2kco h ILE 44 Cb 0.66 2.34 -0.03 0.00 0.47 0.00 0.00 36.82 40.26 2kco h ILE 44 CO 0.05 0.71 0.29 0.11 -3.07 0.00 0.00 178.15 176.24 2kco h LYS 45 N 0.22 0.87 -0.29 2.19 1.57 -1.13 -2.74 116.57 117.25 2kco h LYS 45 Ca -0.06 -0.11 -0.16 0.00 -1.87 0.00 0.00 60.65 58.44 2kco h LYS 45 Cb 1.49 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.63 2kco h LYS 45 CO 0.15 0.68 -0.48 0.22 -0.57 0.00 0.00 179.45 179.45 2kco h ASP 46 N 0.86 0.84 -0.30 0.86 3.58 -1.07 -3.30 116.42 117.91 2kco h ASP 46 Ca 0.21 -0.42 -0.11 0.00 0.42 0.00 0.00 57.03 57.13 2kco h ASP 46 Cb 0.10 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 40.90 2kco h ASP 46 CO -0.03 1.18 -0.20 0.08 -2.88 0.00 0.00 179.24 177.40 2kco h ARG 47 N 0.61 0.76 -0.00 0.28 0.11 -0.85 -2.92 114.38 112.37 2kco h ARG 47 Ca 0.03 -0.29 0.00 0.00 0.10 0.00 0.00 59.98 59.82 2kco h ARG 47 Cb 1.05 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.09 2kco h ARG 47 CO 0.10 0.90 -0.02 -2.37 0.10 0.00 0.00 179.97 178.68 2kco n THR 48 N -4.12 0.00 -4.01 0.08 5.66 -1.13 -4.66 114.28 106.10 2kco n THR 48 Ca 0.00 -0.05 -0.35 0.00 -3.05 0.00 0.00 64.05 60.60 2kco n THR 48 Cb 0.42 -0.25 -0.14 0.00 -1.55 0.00 0.00 70.33 68.81 2kco n THR 48 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 2kco s LEU 49 N -2.16 2.92 0.00 1.09 2.01 -1.10 -5.04 118.68 116.39 2kco s LEU 49 Ca 0.40 -0.36 0.00 0.00 0.01 0.00 0.00 54.13 54.18 2kco s LEU 49 Cb 0.21 -1.74 0.00 0.00 0.01 0.00 0.00 46.19 44.68 2kco s LEU 49 CO 0.40 0.01 0.00 0.61 1.01 0.00 0.00 176.35 178.37 2kco n GLY 50 N 4.60 -0.21 3.92 -3.19 0.00 -1.26 -4.94 105.19 104.11 2kco n GLY 50 Ca -0.18 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.82 2kco n GLY 50 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kco s GLY 51 N -1.10 0.06 0.10 -0.02 0.00 -1.26 -5.17 107.32 99.94 2kco s GLY 51 Ca 0.00 -0.25 -0.19 0.00 0.00 0.00 0.00 44.72 44.28 2kco s GLY 51 CO 0.00 3.37 0.59 0.21 0.00 0.00 0.00 173.10 177.27 2kco s ASN 52 N -3.53 7.03 -0.28 1.64 3.84 -1.26 -5.08 114.94 117.30 2kco s ASN 52 Ca 0.24 1.25 -0.08 0.00 0.21 0.00 0.00 52.86 54.49 2kco s ASN 52 Cb -0.02 -2.35 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2kco s ASN 52 CO 0.04 0.22 0.09 -0.36 -2.79 0.00 0.00 177.10 174.29 2kco s PHE 53 N -1.22 3.12 0.83 0.43 0.40 -1.26 -5.12 117.98 115.16 2kco s PHE 53 Ca 0.32 -0.63 -0.12 0.00 -0.60 0.00 0.00 56.93 55.91 2kco s PHE 53 Cb -0.18 -2.27 0.09 0.00 0.51 0.00 0.00 43.02 41.17 2kco s PHE 53 CO 0.19 -0.45 1.14 -1.59 0.70 0.00 0.00 175.22 175.21 2kco s LYS 54 N 1.58 1.81 0.93 0.44 0.00 -1.26 -5.09 119.74 118.14 2kco s LYS 54 Ca 0.05 0.32 -0.13 0.00 0.00 0.00 0.00 55.97 56.21 2kco s LYS 54 Cb -0.16 -1.91 0.20 0.00 0.00 0.00 0.00 37.83 35.95 2kco s LYS 54 CO 0.04 -1.74 1.27 0.14 0.00 0.00 0.00 175.35 175.06 2kco s VAL 55 N -3.36 2.02 0.31 1.79 -7.23 -1.26 -5.10 120.40 107.57 2kco s VAL 55 Ca 0.62 -0.12 -0.07 0.00 -1.81 0.00 0.00 61.98 60.59 2kco s VAL 55 Cb -0.13 -2.90 -0.06 0.00 0.56 0.00 0.00 36.38 33.85 2kco s VAL 55 CO 0.52 0.00 0.61 -0.13 -0.31 0.00 0.00 175.10 175.79 2kco s ARG 56 N -5.77 3.71 1.14 4.82 0.52 -1.26 -5.10 118.95 117.01 2kco s ARG 56 Ca 0.73 0.19 -0.13 0.00 -0.52 0.00 0.00 55.73 56.01 2kco s ARG 56 Cb -0.03 -2.58 0.25 0.00 0.52 0.00 0.00 34.95 33.11 2kco s ARG 56 CO 0.52 0.17 0.91 1.47 0.02 0.00 0.00 175.30 178.38 2kco n LEU 57 N -0.86 -0.96 -4.90 2.53 -0.00 -1.26 -5.04 117.00 106.51 2kco n LEU 57 Ca -0.00 -0.08 -0.28 0.00 -0.00 0.00 0.00 56.01 55.65 2kco n LEU 57 Cb 0.54 -1.25 -0.00 0.00 -0.00 0.00 0.00 43.42 42.70 2kco n LEU 57 CO 0.47 -3.15 0.46 -0.54 -0.00 0.00 0.00 177.39 174.63 2kco s LYS 58 N -4.30 3.54 0.02 1.47 3.01 -1.26 -5.05 119.74 117.17 2kco s LYS 58 Ca 0.67 0.23 -0.30 0.00 -1.01 0.00 0.00 55.97 55.56 2kco s LYS 58 Cb -0.24 -2.36 -0.04 0.00 -1.01 0.00 0.00 37.83 34.18 2kco s LYS 58 CO 0.65 -0.23 1.16 0.71 0.51 0.00 0.00 175.35 178.14 2kco s TYR 59 N -2.77 3.42 -0.17 3.18 1.51 -1.26 -5.01 117.35 116.25 2kco s TYR 59 Ca 0.48 1.35 -0.29 0.00 -1.01 0.00 0.00 57.07 57.60 2kco s TYR 59 Cb -0.10 -3.36 -0.00 0.00 -0.11 0.00 0.00 41.96 38.38 2kco s TYR 59 CO 0.45 -1.04 1.07 0.95 -1.11 0.00 0.00 175.55 175.87 2kco s THR 60 N 1.35 4.62 -0.02 -0.71 -4.23 -1.26 -4.95 115.64 110.44 2kco s THR 60 Ca 0.57 1.93 -0.30 0.00 -1.18 0.00 0.00 61.69 62.71 2kco s THR 60 Cb -0.27 -4.24 -0.05 0.00 1.34 0.00 0.00 72.50 69.28 2kco s THR 60 CO 0.27 -0.10 1.46 -0.89 -0.54 0.00 0.00 174.62 174.82 2kco s THR 61 N 2.78 3.69 0.12 3.99 2.01 -1.26 -4.62 115.64 122.35 2kco s THR 61 Ca 0.48 1.01 -0.03 0.00 0.31 0.00 0.00 61.69 63.46 2kco s THR 61 Cb -0.18 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 2kco s THR 61 CO 0.12 -0.03 0.09 -0.89 -0.69 0.00 0.00 174.62 173.23 2kco s THR 62 N 2.90 0.13 -0.06 -0.82 2.01 -0.74 -4.39 115.64 114.66 2kco s THR 62 Ca 0.66 -1.72 0.06 0.00 0.31 0.00 0.00 61.69 61.00 2kco s THR 62 Cb -0.31 -1.82 -0.01 0.00 0.01 0.00 0.00 72.50 70.36 2kco s THR 62 CO 0.26 -0.57 -0.25 0.00 -0.69 0.00 0.00 174.62 173.38 2kco s ALA 63 N -3.99 2.18 -0.76 7.40 0.00 -0.19 -1.38 121.76 125.02 2kco s ALA 63 Ca 0.17 -1.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.00 2kco s ALA 63 Cb 0.07 -0.69 0.20 0.00 0.00 0.00 0.00 23.12 22.70 2kco s ALA 63 CO -0.02 0.42 0.64 1.21 0.00 0.00 0.00 175.76 178.00 2kco s ASN 64 N -0.16 6.09 -0.31 0.00 3.04 -0.67 -1.80 114.94 121.12 2kco s ASN 64 Ca -0.04 -2.84 -0.29 0.00 0.04 0.00 0.00 52.86 49.73 2kco s ASN 64 Cb -0.14 -2.05 0.01 0.00 -1.54 0.00 0.00 41.25 37.54 2kco s ASN 64 CO 0.04 -0.46 1.14 0.68 -3.04 0.00 0.00 177.10 175.46 2kco s VAL 65 N -0.06 4.40 0.04 -5.21 -7.23 0.09 -0.91 120.40 111.52 2kco s VAL 65 Ca 0.18 1.60 -0.31 0.00 -1.81 0.00 0.00 61.98 61.65 2kco s VAL 65 Cb -0.14 -4.34 -0.07 0.00 0.56 0.00 0.00 36.38 32.39 2kco s VAL 65 CO -0.07 -0.49 1.44 -0.22 -0.31 0.00 0.00 175.10 175.46 2kco s LEU 66 N 3.85 4.34 -0.34 1.32 1.98 -0.75 0.64 118.68 129.72 2kco s LEU 66 Ca 0.49 2.23 -0.18 0.00 -2.89 0.00 0.00 54.13 53.77 2kco s LEU 66 Cb -0.13 -3.57 -0.00 0.00 0.66 0.00 0.00 46.19 43.14 2kco s LEU 66 CO 0.18 -0.73 0.53 -0.62 -1.89 0.00 0.00 176.35 173.82 2kco s ASP 67 N 1.79 6.34 0.61 3.68 2.15 -0.42 -3.04 116.67 127.78 2kco s ASP 67 Ca 0.66 0.05 0.32 0.00 0.43 0.00 0.00 52.55 54.01 2kco s ASP 67 Cb -0.34 -2.28 1.91 0.00 -0.30 0.00 0.00 42.92 41.91 2kco s ASP 67 CO 0.28 -0.48 2.25 1.55 -0.17 0.00 0.00 175.17 178.61 2kco h PRO 68 N 8.42 0.00 0.07 4.34 0.13 -1.90 0.35 132.00 143.40 2kco h PRO 68 Ca -0.28 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 64.85 2kco h PRO 68 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 2kco h PRO 68 CO 0.78 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.51 2kco h ALA 69 N 1.96 -0.09 0.00 -0.56 0.00 -1.93 -3.35 119.26 115.29 2kco h ALA 69 Ca 0.01 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2kco h ALA 69 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.90 2kco h ALA 69 CO -0.00 -0.28 -1.33 0.25 0.00 0.00 0.00 179.25 177.89 2kco n THR 70 N -4.88 0.00 -3.48 0.00 -2.24 -1.20 -5.03 114.28 97.46 2kco n THR 70 Ca -0.09 -0.18 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 2kco n THR 70 Cb 0.27 0.64 0.03 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.76 -6.08 -3.86 3.42 2.85 0.12 -5.04 115.26 104.91 2kco n ASN 71 Ca 0.01 -0.75 -0.13 0.00 -0.11 0.00 0.00 54.58 53.61 2kco n ASN 71 Cb 0.40 -3.93 -0.14 0.00 1.24 0.00 0.00 39.78 37.35 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 -3.29 0.00 0.24 -0.44 -4.23 -1.22 -4.94 115.64 101.78 2kco s THR 72 Ca 0.31 0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.68 2kco s THR 72 Cb -0.09 -0.03 -0.08 0.00 1.34 0.00 0.00 72.50 73.64 2kco s THR 72 CO 0.82 0.02 0.69 0.00 -0.54 0.00 0.00 174.62 175.60 2kco s ALA 73 N 0.14 3.42 -0.09 3.99 0.00 -1.26 -1.29 121.76 126.66 2kco s ALA 73 Ca -0.01 0.04 -0.04 0.00 0.00 0.00 0.00 51.96 51.95 2kco s ALA 73 Cb -0.02 -2.73 0.05 0.00 0.00 0.00 0.00 23.12 20.42 2kco s ALA 73 CO -0.00 0.36 0.21 0.21 0.00 0.00 0.00 175.76 176.54 2kco s LYS 74 N -2.37 0.14 -0.42 0.00 2.20 0.21 -4.91 119.74 114.58 2kco s LYS 74 Ca 0.46 0.52 -0.14 0.00 -0.36 0.00 0.00 55.97 56.44 2kco s LYS 74 Cb -0.14 -0.15 0.03 0.00 -1.51 0.00 0.00 37.83 36.07 2kco s LYS 74 CO 0.19 -0.20 0.31 0.15 -0.36 0.00 0.00 175.35 175.44 2kco s LYS 75 N 1.53 2.94 0.10 4.03 1.02 -1.26 -0.73 119.74 127.38 2kco s LYS 75 Ca -0.06 -1.11 0.07 0.00 0.02 0.00 0.00 55.97 54.89 2kco s LYS 75 Cb -0.11 -3.98 -0.03 0.00 -0.52 0.00 0.00 37.83 33.19 2kco s LYS 75 CO -0.07 -0.81 -0.17 0.14 -0.92 0.00 0.00 175.35 173.52 2kco s VAL 76 N 1.65 1.47 0.71 3.17 -7.23 -0.74 -4.97 120.40 114.45 2kco s VAL 76 Ca 0.04 -1.54 -0.14 0.00 -1.81 0.00 0.00 61.98 58.53 2kco s VAL 76 Cb -0.20 -1.44 0.03 0.00 0.56 0.00 0.00 36.38 35.33 2kco s VAL 76 CO 0.09 -0.20 1.14 -0.75 -0.31 0.00 0.00 175.10 175.06 2kco s LYS 77 N -2.10 2.44 -0.19 4.82 2.20 -1.26 -1.03 119.74 124.63 2kco s LYS 77 Ca 0.05 1.49 -0.23 0.00 -0.36 0.00 0.00 55.97 56.92 2kco s LYS 77 Cb -0.09 -1.90 -0.02 0.00 -1.51 0.00 0.00 37.83 34.32 2kco s LYS 77 CO 0.04 -1.55 0.73 0.42 -0.36 0.00 0.00 175.35 174.62 2kco s ILE 78 N -2.31 4.95 0.00 5.43 1.01 -1.26 -3.39 121.20 125.63 2kco s ILE 78 Ca 0.68 1.40 0.00 0.00 0.00 0.00 0.00 60.65 62.73 2kco s ILE 78 Cb -0.23 -4.04 0.00 0.00 0.01 0.00 0.00 42.46 38.21 2kco s ILE 78 CO 0.45 0.07 0.00 0.18 0.00 0.00 0.00 174.94 175.64 2kco n LEU 79 N 5.16 0.19 -3.89 2.97 4.32 -0.52 -5.03 117.00 120.19 2kco n LEU 79 Ca 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 56.01 55.89 2kco n LEU 79 Cb 0.49 0.00 -0.13 0.00 -1.62 0.00 0.00 43.42 42.16 2kco n LEU 79 CO 0.46 0.00 -0.32 -1.83 -1.22 0.00 0.00 177.39 174.48 2kco s GLU 80 N 0.00 0.14 -0.35 3.23 -1.05 -1.20 -4.95 118.70 114.52 2kco s GLU 80 Ca 0.00 -0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.49 2kco s GLU 80 Cb 0.00 0.06 -0.00 0.00 -0.44 0.00 0.00 34.13 33.75 2kco s GLU 80 CO 0.00 -0.02 0.56 0.96 0.95 0.00 0.00 175.26 177.70 2kco s ILE 81 N -0.45 4.97 -0.04 1.83 -0.00 -1.26 -0.57 121.20 125.68 2kco s ILE 81 Ca -0.05 0.42 -0.04 0.00 -0.00 0.00 0.00 60.65 60.98 2kco s ILE 81 Cb -0.03 -4.01 -0.02 0.00 -0.00 0.00 0.00 42.46 38.40 2kco s ILE 81 CO -0.00 -0.26 0.26 -0.07 -0.00 0.00 0.00 174.94 174.87 2kco h LEU 82 N 9.20 -0.12 -8.68 0.37 -0.00 -1.50 -3.40 115.31 111.19 2kco h LEU 82 Ca -0.27 0.00 -0.56 0.00 -0.00 0.00 0.00 57.88 57.05 2kco h LEU 82 Cb 1.12 0.03 -0.07 0.00 -0.00 0.00 0.00 40.66 41.74 2kco h LEU 82 CO 0.80 0.12 1.00 -0.70 -0.00 0.00 0.00 178.44 179.66 2kco s GLU 83 N -1.95 3.57 -0.09 1.13 2.12 -1.24 -4.99 118.70 117.25 2kco s GLU 83 Ca -0.02 0.54 -0.30 0.00 0.36 0.00 0.00 54.97 55.55 2kco s GLU 83 Cb 0.00 -4.00 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2kco s GLU 83 CO 0.06 -1.59 1.44 0.99 -0.54 0.00 0.00 175.26 175.62 2kco s THR 84 N 5.05 3.90 0.69 -1.70 2.01 -1.26 -3.84 115.64 120.50 2kco s THR 84 Ca 0.50 1.13 -0.17 0.00 0.31 0.00 0.00 61.69 63.46 2kco s THR 84 Cb -0.09 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.71 2kco s THR 84 CO 0.29 -0.08 1.26 -2.65 -0.69 0.00 0.00 174.62 172.76 2kco n PRO 85 N 6.57 0.85 0.21 4.92 -0.02 -1.26 -4.93 135.00 141.33 2kco n PRO 85 Ca 0.15 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.06 2kco n PRO 85 Cb 0.44 -2.50 0.61 0.00 -0.02 0.00 0.00 33.50 32.03 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 0.12 1.99 -0.67 3.55 0.00 -2.00 -2.49 119.26 119.76 2kco h ALA 86 Ca -0.50 -0.00 -0.72 0.00 0.00 0.00 0.00 54.91 53.69 2kco h ALA 86 Cb 1.33 -0.02 -0.14 0.00 0.00 0.00 0.00 17.79 18.96 2kco h ALA 86 CO 0.51 -0.00 2.11 0.27 0.00 0.00 0.00 179.25 182.13 2kco n ASN 87 N -4.52 7.85 -0.29 0.00 6.94 -1.26 -4.76 115.26 119.21 2kco n ASN 87 Ca -0.01 -3.19 0.00 0.00 -0.02 0.00 0.00 54.58 51.36 2kco n ASN 87 Cb 0.12 -1.33 0.14 0.00 -2.36 0.00 0.00 39.78 36.34 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 4.40 0.87 0.00 -3.83 -0.00 -1.82 -2.14 116.57 114.05 2kco h LYS 88 Ca 0.66 -0.05 -0.01 0.00 -0.00 0.00 0.00 60.65 61.25 2kco h LYS 88 Cb 0.34 -0.20 -0.00 0.00 -0.00 0.00 0.00 32.23 32.38 2kco h LYS 88 CO 1.39 0.58 -0.05 1.05 -0.00 0.00 0.00 179.45 182.42 2kco h GLU 89 N 0.90 0.00 0.00 0.07 9.09 -1.89 -0.61 114.58 122.14 2kco h GLU 89 Ca 0.36 0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.76 2kco h GLU 89 Cb 0.19 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.29 2kco h GLU 89 CO -0.18 0.05 -0.06 -0.07 0.05 0.00 0.00 179.01 178.80 2kco h LEU 90 N 0.00 0.00 -1.94 3.06 -0.00 -1.74 -3.37 115.31 111.31 2kco h LEU 90 Ca -0.00 -0.62 0.28 0.00 -0.00 0.00 0.00 57.88 57.54 2kco h LEU 90 Cb 0.11 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 40.73 2kco h LEU 90 CO 0.01 0.85 0.70 0.00 -0.00 0.00 0.00 178.44 179.99 2kco h ALA 91 N -0.38 2.86 -0.28 1.53 0.00 -0.52 -0.19 119.26 122.29 2kco h ALA 91 Ca -0.01 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 2kco h ALA 91 Cb 0.67 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2kco h ALA 91 CO -0.01 -1.15 -0.40 0.00 0.00 0.00 0.00 179.25 177.70 2kco h ARG 92 N 0.04 0.66 0.00 0.00 3.08 -1.32 -2.06 114.38 114.77 2kco h ARG 92 Ca 0.47 -0.34 0.00 0.00 0.07 0.00 0.00 59.98 60.19 2kco h ARG 92 Cb 1.82 0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.87 2kco h ARG 92 CO -0.03 0.94 0.00 0.00 -1.07 0.00 0.00 179.97 179.81 2kco h ARG 93 N 0.54 0.00 0.00 0.04 3.08 -1.24 -3.46 114.38 113.34 2kco h ARG 93 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.10 2kco h ARG 93 Cb 0.92 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2kco h ARG 93 CO 0.08 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.39 2kco n GLY 94 N 0.21 0.65 3.53 0.04 0.00 -0.77 -4.99 105.19 103.85 2kco n GLY 94 Ca 0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.61 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 4.34 0.04 -0.61 -1.09 -0.53 -4.87 121.20 116.47 2kco s ILE 95 Ca 0.00 -1.62 -0.01 0.00 -2.23 0.00 0.00 60.65 56.79 2kco s ILE 95 Cb 0.00 -5.02 -0.04 0.00 -1.58 0.00 0.00 42.46 35.82 2kco s ILE 95 CO 0.00 -1.83 0.19 -0.63 -1.23 0.00 0.00 174.94 171.44 2kco s ILE 96 N 3.69 5.36 0.04 2.92 1.01 -1.26 -1.81 121.20 131.15 2kco s ILE 96 Ca 0.45 -0.33 -0.08 0.00 0.00 0.00 0.00 60.65 60.70 2kco s ILE 96 Cb -0.00 -3.57 -0.05 0.00 0.01 0.00 0.00 42.46 38.84 2kco s ILE 96 CO -0.02 0.21 0.33 -0.51 0.00 0.00 0.00 174.94 174.94 2kco s ILE 97 N -1.44 5.20 0.19 2.92 2.07 -1.26 -4.65 121.20 124.23 2kco s ILE 97 Ca 0.32 0.31 -0.33 0.00 -1.41 0.00 0.00 60.65 59.54 2kco s ILE 97 Cb -0.13 -3.61 -0.15 0.00 0.13 0.00 0.00 42.46 38.71 2kco s ILE 97 CO 0.24 0.34 1.31 -1.14 -1.91 0.00 0.00 174.94 173.78 2kco n ARG 98 N 1.04 1.57 0.00 3.50 0.63 -1.26 -2.69 116.66 119.45 2kco n ARG 98 Ca -0.10 0.56 0.00 0.00 -0.92 0.00 0.00 57.85 57.39 2kco n ARG 98 Cb 0.53 -2.16 0.00 0.00 0.45 0.00 0.00 32.46 31.28 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 2.25 2.09 3.82 5.14 0.00 -0.34 -5.02 105.19 113.13 2kco n GLY 99 Ca 0.14 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.45 3.61 0.11 4.61 0.00 -1.10 -4.85 121.76 121.70 2kco s ALA 100 Ca 0.00 -0.03 -0.25 0.00 0.00 0.00 0.00 51.96 51.68 2kco s ALA 100 Cb 0.00 -2.58 -0.07 0.00 0.00 0.00 0.00 23.12 20.48 2kco s ALA 100 CO 0.00 0.42 0.78 0.15 0.00 0.00 0.00 175.76 177.11 2kco s LYS 101 N -1.21 4.54 0.07 0.00 3.01 -1.25 -1.59 119.74 123.32 2kco s LYS 101 Ca 0.29 1.14 0.03 0.00 -1.01 0.00 0.00 55.97 56.42 2kco s LYS 101 Cb -0.18 -3.31 -0.03 0.00 -1.01 0.00 0.00 37.83 33.29 2kco s LYS 101 CO 0.18 0.42 -0.09 -1.50 0.51 0.00 0.00 175.35 174.87 2kco s ILE 102 N -0.60 0.74 -0.12 2.17 2.07 -0.24 -1.18 121.20 124.04 2kco s ILE 102 Ca 0.38 -1.34 -0.01 0.00 -1.41 0.00 0.00 60.65 58.27 2kco s ILE 102 Cb -0.22 -0.98 -0.02 0.00 0.13 0.00 0.00 42.46 41.37 2kco s ILE 102 CO 0.25 -0.45 -0.09 -0.13 -1.91 0.00 0.00 174.94 172.61 2kco s ARG 103 N -2.14 3.24 0.54 3.50 0.52 0.26 -1.11 118.95 123.78 2kco s ARG 103 Ca -0.03 -0.60 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2kco s ARG 103 Cb -0.07 -2.69 0.02 0.00 0.52 0.00 0.00 34.95 32.73 2kco s ARG 103 CO 0.00 0.37 0.18 0.95 0.02 0.00 0.00 175.30 176.82 2kco s THR 104 N -0.03 1.24 -0.43 0.02 -4.23 -0.43 -1.44 115.64 110.35 2kco s THR 104 Ca -0.01 -1.79 0.25 0.00 -1.18 0.00 0.00 61.69 58.96 2kco s THR 104 Cb -0.14 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 71.95 2kco s THR 104 CO 0.03 0.00 1.76 -0.33 -0.54 0.00 0.00 174.62 175.54 2kco h GLU 105 N 1.04 0.00 0.00 3.99 5.08 -1.86 -3.30 114.58 119.53 2kco h GLU 105 Ca -0.41 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 2kco h GLU 105 Cb 1.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.57 2kco h GLU 105 CO 0.66 0.00 -0.02 0.00 -1.00 0.00 0.00 179.01 178.65 2kco h ALA 106 N 2.25 0.00 -2.80 3.43 0.00 -1.95 -3.51 119.26 116.68 2kco h ALA 106 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kco h ALA 106 Cb 0.43 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2kco h ALA 106 CO 0.00 0.02 0.00 0.41 0.00 0.00 0.00 179.25 179.68 2kco n GLY 107 N 1.90 2.36 3.73 0.00 0.00 -1.24 -5.13 105.19 106.79 2kco n GLY 107 Ca -0.00 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 4.42 0.20 0.99 2.96 -1.26 -1.32 118.68 124.67 2kco s LEU 108 Ca 0.00 2.13 0.01 0.00 -0.22 0.00 0.00 54.13 56.06 2kco s LEU 108 Cb 0.00 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.05 2kco s LEU 108 CO 0.00 -0.39 0.04 0.00 -1.32 0.00 0.00 176.35 174.68 2kco s ALA 109 N 0.35 1.43 -0.13 5.97 0.00 -0.26 -1.02 121.76 128.09 2kco s ALA 109 Ca 0.55 -1.68 0.01 0.00 0.00 0.00 0.00 51.96 50.85 2kco s ALA 109 Cb -0.31 0.76 -0.00 0.00 0.00 0.00 0.00 23.12 23.57 2kco s ALA 109 CO 0.33 -0.39 -0.18 0.54 0.00 0.00 0.00 175.76 176.07 2kco s VAL 110 N -3.73 2.53 0.07 0.00 0.11 -0.34 -1.08 120.40 117.96 2kco s VAL 110 Ca 0.29 -0.83 -0.31 0.00 -2.93 0.00 0.00 61.98 58.20 2kco s VAL 110 Cb 0.07 -2.04 -0.08 0.00 -1.53 0.00 0.00 36.38 32.80 2kco s VAL 110 CO 0.07 0.53 1.53 0.68 -3.33 0.00 0.00 175.10 174.58 2kco s VAL 111 N 0.60 3.19 -0.11 2.04 -7.23 -0.62 -0.89 120.40 117.38 2kco s VAL 111 Ca -0.10 0.72 0.01 0.00 -1.81 0.00 0.00 61.98 60.80 2kco s VAL 111 Cb -0.16 -3.46 0.03 0.00 0.56 0.00 0.00 36.38 33.34 2kco s VAL 111 CO 0.03 0.02 0.90 0.35 -0.31 0.00 0.00 175.10 176.09 2kco n THR 112 N 4.45 0.75 -3.87 5.32 -2.24 -0.33 -1.19 114.28 117.16 2kco n THR 112 Ca 0.14 -0.87 -0.09 0.00 -2.27 0.00 0.00 64.05 60.96 2kco n THR 112 Cb 0.41 0.63 -0.07 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.77 0.05 0.23 3.42 0.15 -1.11 -4.97 113.70 110.70 2kco s SER 113 Ca 0.02 -0.69 -0.17 0.00 0.70 0.00 0.00 55.95 55.81 2kco s SER 113 Cb 0.01 0.39 -0.08 0.00 -1.71 0.00 0.00 66.02 64.63 2kco s SER 113 CO 0.02 -0.80 0.69 -0.13 1.20 0.00 0.00 173.24 174.21 2kco s ARG 114 N -3.89 4.12 -0.11 5.44 3.00 -1.26 -4.43 118.95 121.81 2kco s ARG 114 Ca 0.09 0.72 -0.39 0.00 0.00 0.00 0.00 55.73 56.15 2kco s ARG 114 Cb 0.04 -2.77 -0.17 0.00 0.00 0.00 0.00 34.95 32.05 2kco s ARG 114 CO -0.07 0.35 1.48 -2.30 0.00 0.00 0.00 175.30 174.76 2kco n PRO 115 N 0.42 0.92 -1.38 3.54 -0.02 -1.26 -4.76 135.00 132.46 2kco n PRO 115 Ca -0.01 0.33 -0.29 0.00 -2.02 0.00 0.00 63.50 61.51 2kco n PRO 115 Cb 0.52 -1.96 0.16 0.00 -0.02 0.00 0.00 33.50 32.20 2kco n PRO 115 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2kco s GLY 116 N 1.77 1.58 0.52 -1.23 0.00 -0.53 -4.93 107.32 104.50 2kco s GLY 116 Ca 0.92 -0.55 0.29 0.00 0.00 0.00 0.00 44.72 45.39 2kco s GLY 116 CO 0.58 0.07 2.03 -1.61 0.00 0.00 0.00 173.10 174.17 2kco h GLN 117 N -1.76 0.00 0.00 2.90 -0.00 -1.95 -1.39 115.11 112.91 2kco h GLN 117 Ca -0.51 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.14 2kco h GLN 117 Cb 1.33 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.81 2kco h GLN 117 CO 0.57 0.11 0.00 -3.47 0.00 0.00 0.00 178.83 176.04 2kco n ASP 118 N -3.44 0.66 0.00 -0.69 2.03 -1.26 -4.89 116.55 108.97 2kco n ASP 118 Ca -0.01 0.65 0.00 0.00 0.52 0.00 0.00 54.79 55.94 2kco n ASP 118 Cb 0.28 -0.79 0.00 0.00 -0.72 0.00 0.00 41.12 39.88 2kco n ASP 118 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kco n GLY 119 N 0.21 0.56 3.40 0.27 0.00 -0.52 -4.20 105.19 104.91 2kco n GLY 119 Ca 0.03 -0.83 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 2kco n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kco s VAL 120 N -2.00 3.48 -0.34 1.61 0.11 -1.25 -1.79 120.40 120.21 2kco s VAL 120 Ca 0.00 -0.49 -0.08 0.00 -2.93 0.00 0.00 61.98 58.48 2kco s VAL 120 Cb 0.00 -2.52 0.03 0.00 -1.53 0.00 0.00 36.38 32.36 2kco s VAL 120 CO 0.00 0.48 0.13 -0.63 -3.33 0.00 0.00 175.10 171.75 2kco s ILE 121 N 0.70 4.08 0.24 7.04 1.09 -0.48 -1.45 121.20 132.42 2kco s ILE 121 Ca -0.03 -0.97 -0.30 0.00 -1.10 0.00 0.00 60.65 58.25 2kco s ILE 121 Cb -0.15 -3.26 -0.09 0.00 -1.06 0.00 0.00 42.46 37.90 2kco s ILE 121 CO 0.02 -0.16 1.27 0.20 -0.10 0.00 0.00 174.94 176.18 2kco s ASN 122 N 1.47 6.93 0.20 3.58 0.02 -1.26 -1.67 114.94 124.20 2kco s ASN 122 Ca 0.00 2.45 0.01 0.00 -1.02 0.00 0.00 52.86 54.30 2kco s ASN 122 Cb -0.19 -2.62 -0.05 0.00 0.02 0.00 0.00 41.25 38.41 2kco s ASN 122 CO 0.04 -0.47 0.04 0.00 0.02 0.00 0.00 177.10 176.74 2kco s ALA 123 N -0.38 1.46 -0.16 0.60 0.00 -0.08 -1.19 121.76 122.01 2kco s ALA 123 Ca 0.53 -1.69 0.02 0.00 0.00 0.00 0.00 51.96 50.81 2kco s ALA 123 Cb -0.36 0.78 0.01 0.00 0.00 0.00 0.00 23.12 23.55 2kco s ALA 123 CO 0.42 -0.39 -0.20 0.08 0.00 0.00 0.00 175.76 175.67 2kco s VAL 124 N -3.73 2.20 -0.11 0.00 1.01 -0.07 -1.80 120.40 117.89 2kco s VAL 124 Ca 0.30 -0.92 -0.29 0.00 0.00 0.00 0.00 61.98 61.07 2kco s VAL 124 Cb 0.07 -1.90 -0.06 0.00 0.00 0.00 0.00 36.38 34.49 2kco s VAL 124 CO 0.08 0.54 1.94 -0.76 0.00 0.00 0.00 175.10 176.90 2kco s LEU 125 N 0.97 3.99 0.17 3.92 1.43 -1.17 -1.20 118.68 126.79 2kco s LEU 125 Ca -0.03 2.15 -0.10 0.00 -1.03 0.00 0.00 54.13 55.12 2kco s LEU 125 Cb -0.15 -3.52 0.06 0.00 0.03 0.00 0.00 46.19 42.61 2kco s LEU 125 CO -0.05 -1.38 1.64 -0.07 0.23 0.00 0.00 176.35 176.72 2kco h LEU 126 N 12.25 1.01 0.00 1.79 3.38 -1.39 -3.42 115.31 128.93 2kco h LEU 126 Ca -0.42 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.25 2kco h LEU 126 Cb 1.21 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kco h LEU 126 CO 0.96 1.06 0.00 0.29 0.09 0.00 0.00 178.44 180.84 2kco n LYS 127 N -4.22 0.00 -2.27 1.13 4.76 -1.23 -4.54 118.16 111.79 2kco n LYS 127 Ca 0.03 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.04 2kco n LYS 127 Cb 0.33 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.50 2kco n LYS 127 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2kco s ASN 128 N -3.99 6.40 0.12 4.39 2.47 -1.26 -4.96 114.94 118.11 2kco s ASN 128 Ca 0.00 1.20 0.07 0.00 0.42 0.00 0.00 52.86 54.55 2kco s ASN 128 Cb 0.00 -2.54 -0.04 0.00 -1.45 0.00 0.00 41.25 37.23 2kco s ASN 128 CO 0.00 -1.31 -0.16 -0.70 -3.72 0.00 0.00 177.10 171.21 2kco s GLU 129 N 4.72 1.06 -0.02 0.43 -6.30 -1.26 -5.11 118.70 112.22 2kco s GLU 129 Ca 0.64 -1.22 -0.34 0.00 -2.50 0.00 0.00 54.97 51.56 2kco s GLU 129 Cb -0.18 -1.07 -0.12 0.00 0.00 0.00 0.00 34.13 32.75 2kco s GLU 129 CO 0.29 0.22 1.79 0.45 0.02 0.00 0.00 175.26 178.03 2kco n SER 130 N 0.70 3.32 -4.57 -1.70 2.88 -1.26 -4.87 113.62 108.13 2kco n SER 130 Ca -0.17 1.01 -0.30 0.00 -1.33 0.00 0.00 58.87 58.08 2kco n SER 130 Cb 0.56 -1.38 -0.05 0.00 -0.75 0.00 0.00 64.21 62.59 2kco n SER 130 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2kco s GLN 131 N 3.12 2.74 -1.25 -1.46 0.74 -1.26 -4.89 119.66 117.40 2kco s GLN 131 Ca 0.89 -0.68 -0.14 0.00 0.05 0.00 0.00 55.36 55.48 2kco s GLN 131 Cb -0.69 -5.17 0.14 0.00 1.10 0.00 0.00 33.01 28.39 2kco s GLN 131 CO 0.48 -3.31 1.60 0.54 -0.55 0.00 0.00 175.29 174.04 2kco n ARG 132 N 8.71 3.34 0.00 1.67 1.74 -1.26 -5.36 116.66 125.50 2kco n ARG 132 Ca 0.41 -3.63 0.00 0.00 -0.77 0.00 0.00 57.85 53.86 2kco n ARG 132 Cb 0.47 -3.14 0.00 0.00 -1.02 0.00 0.00 32.46 28.77 2kco n ARG 132 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54