#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 3.77 2.47 3.03 0.00 -1.26 -4.93 105.19 108.27 2kco n GLY 2 Ca 0.00 -0.85 -0.17 0.00 0.00 0.00 0.00 46.02 45.01 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 -0.08 -2.96 1.61 3.01 -1.26 -4.98 117.46 112.81 2kco n PHE 3 Ca 0.00 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 58.03 2kco n PHE 3 Cb 0.00 -2.93 -0.05 0.00 -0.01 0.00 0.00 39.48 36.49 2kco n PHE 3 CO 0.00 0.00 0.00 0.71 1.01 0.00 0.00 176.76 178.48 2kco s TYR 4 N -2.64 3.00 0.28 1.38 2.02 -1.26 -5.05 117.35 115.08 2kco s TYR 4 Ca 0.00 0.22 -0.27 0.00 -0.37 0.00 0.00 57.07 56.65 2kco s TYR 4 Cb 0.00 -3.64 -0.09 0.00 -0.40 0.00 0.00 41.96 37.83 2kco s TYR 4 CO 0.00 -0.96 0.92 -1.14 -1.57 0.00 0.00 175.55 172.80 2kco s GLN 5 N 3.28 4.65 0.46 -0.62 0.74 -1.26 -5.06 119.66 121.84 2kco s GLN 5 Ca 0.30 1.34 -0.23 0.00 0.05 0.00 0.00 55.36 56.82 2kco s GLN 5 Cb -0.12 -2.98 -0.07 0.00 1.10 0.00 0.00 33.01 30.93 2kco s GLN 5 CO 0.22 0.38 1.18 0.20 -0.55 0.00 0.00 175.29 176.72 2kco s GLY 6 N -1.45 2.80 0.28 2.59 0.00 -1.26 -5.01 107.32 105.26 2kco s GLY 6 Ca 0.46 0.97 -0.29 0.00 0.00 0.00 0.00 44.72 45.86 2kco s GLY 6 CO 0.26 1.44 1.31 2.56 0.00 0.00 0.00 173.10 178.67 2kco s PRO 7 N -2.68 4.37 0.65 2.90 0.04 -1.26 -5.02 135.00 134.01 2kco s PRO 7 Ca 0.64 2.15 -0.15 0.00 0.04 0.00 0.00 61.00 63.68 2kco s PRO 7 Cb -0.30 -3.12 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 2kco s PRO 7 CO 0.36 -0.21 1.12 -0.51 0.04 0.00 0.00 177.00 177.80 2kco s ASP 8 N -0.15 5.10 -0.09 6.66 1.11 -1.26 -5.03 116.67 123.00 2kco s ASP 8 Ca 0.52 2.03 -0.23 0.00 0.18 0.00 0.00 52.55 55.06 2kco s ASP 8 Cb -0.39 -2.56 -0.03 0.00 1.07 0.00 0.00 42.92 41.02 2kco s ASP 8 CO 0.46 -1.64 0.70 0.21 1.18 0.00 0.00 175.17 176.08 2kco s ASN 9 N -2.49 6.94 -0.33 0.27 3.84 -1.26 -5.06 114.94 116.85 2kco s ASN 9 Ca 0.68 1.14 -0.14 0.00 0.21 0.00 0.00 52.86 54.75 2kco s ASN 9 Cb -0.21 -2.40 -0.02 0.00 -0.55 0.00 0.00 41.25 38.06 2kco s ASN 9 CO 0.41 -0.15 0.30 -0.13 -2.79 0.00 0.00 177.10 174.73 2kco s ARG 10 N 1.01 3.59 -0.02 0.43 3.00 -1.26 -5.08 118.95 120.62 2kco s ARG 10 Ca 0.36 -0.48 -0.14 0.00 0.00 0.00 0.00 55.73 55.47 2kco s ARG 10 Cb -0.17 -3.79 -0.05 0.00 0.00 0.00 0.00 34.95 30.94 2kco s ARG 10 CO 0.17 -0.45 0.38 0.15 0.00 0.00 0.00 175.30 175.55 2kco s LYS 11 N 1.87 3.91 0.02 3.54 1.02 -1.26 -5.08 119.74 123.76 2kco s LYS 11 Ca 0.09 0.36 -0.30 0.00 0.02 0.00 0.00 55.97 56.14 2kco s LYS 11 Cb -0.17 -3.23 -0.04 0.00 -0.52 0.00 0.00 37.83 33.87 2kco s LYS 11 CO 0.11 0.66 1.05 0.42 -0.92 0.00 0.00 175.35 176.67 2kco s ILE 12 N -0.95 4.60 0.08 2.17 1.01 -1.26 -5.05 121.20 121.80 2kco s ILE 12 Ca 0.23 1.87 -0.05 0.00 0.00 0.00 0.00 60.65 62.70 2kco s ILE 12 Cb -0.16 -4.20 -0.02 0.00 0.01 0.00 0.00 42.46 38.09 2kco s ILE 12 CO 0.12 0.14 0.10 0.28 0.00 0.00 0.00 174.94 175.58 2kco s THR 13 N 1.03 0.16 0.18 2.92 -1.32 -1.26 -5.19 115.64 112.17 2kco s THR 13 Ca 0.54 -1.52 -0.24 0.00 -1.21 0.00 0.00 61.69 59.26 2kco s THR 13 Cb -0.24 -1.53 0.05 0.00 -1.51 0.00 0.00 72.50 69.28 2kco s THR 13 CO 0.28 -0.74 0.78 -0.83 -2.21 0.00 0.00 174.62 171.90 2kco s GLY 14 N -2.91 -0.29 0.00 6.08 0.00 -1.26 -5.19 107.32 103.75 2kco s GLY 14 Ca 0.09 0.15 0.00 0.00 0.00 0.00 0.00 44.72 44.96 2kco s GLY 14 CO -0.08 0.04 0.00 0.61 0.00 0.00 0.00 173.10 173.67 2kco n GLY 15 N -0.42 1.26 2.77 0.20 0.00 -1.26 -5.13 105.19 102.62 2kco n GLY 15 Ca -0.08 -1.86 -0.01 0.00 0.00 0.00 0.00 46.02 44.08 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 -0.50 -0.15 0.99 2.96 -1.26 -5.15 118.68 115.57 2kco s LEU 16 Ca 0.00 -0.41 -0.29 0.00 -0.22 0.00 0.00 54.13 53.20 2kco s LEU 16 Cb 0.00 0.65 -0.01 0.00 0.50 0.00 0.00 46.19 47.33 2kco s LEU 16 CO 0.00 -0.04 1.23 -0.75 -1.32 0.00 0.00 176.35 175.47 2kco s LYS 17 N 1.48 4.26 -0.20 1.98 2.47 -1.26 -5.02 119.74 123.44 2kco s LYS 17 Ca 0.19 1.64 -0.19 0.00 -1.56 0.00 0.00 55.97 56.05 2kco s LYS 17 Cb 0.06 -3.72 -0.03 0.00 -1.46 0.00 0.00 37.83 32.68 2kco s LYS 17 CO -0.12 -0.65 0.55 0.20 0.16 0.00 0.00 175.35 175.49 2kco s GLY 18 N 1.82 2.05 0.20 5.54 0.00 -1.26 -5.09 107.32 110.59 2kco s GLY 18 Ca 0.54 -0.37 0.08 0.00 0.00 0.00 0.00 44.72 44.96 2kco s GLY 18 CO 0.15 1.15 0.00 0.54 0.00 0.00 0.00 173.10 174.95 2kco s LYS 19 N 1.75 2.39 0.03 2.90 3.01 -1.26 -5.15 119.74 123.41 2kco s LYS 19 Ca 0.25 -1.17 0.03 0.00 -1.01 0.00 0.00 55.97 54.06 2kco s LYS 19 Cb -0.16 -2.32 -0.02 0.00 -1.01 0.00 0.00 37.83 34.33 2kco s LYS 19 CO 0.10 0.43 -0.09 -3.38 0.51 0.00 0.00 175.35 172.92 2kco s HIS 20 N -1.86 0.75 -0.03 3.18 -3.43 -1.26 -5.16 115.29 107.48 2kco s HIS 20 Ca 0.28 -0.36 -0.07 0.00 -0.80 0.00 0.00 55.06 54.11 2kco s HIS 20 Cb -0.09 -0.45 -0.05 0.00 -1.43 0.00 0.00 32.58 30.57 2kco s HIS 20 CO 0.19 -0.03 0.24 1.03 -2.00 0.00 0.00 174.74 174.16 2kco s ARG 21 N -1.11 3.56 0.00 -0.38 0.52 -1.26 -5.13 118.95 115.15 2kco s ARG 21 Ca -0.04 -0.07 0.00 0.00 -0.52 0.00 0.00 55.73 55.10 2kco s ARG 21 Cb -0.07 -3.12 0.00 0.00 0.52 0.00 0.00 34.95 32.27 2kco s ARG 21 CO 0.00 0.69 0.00 -0.25 0.02 0.00 0.00 175.30 175.76 2kco n ASP 22 N 1.39 0.00 -3.94 0.23 9.92 -1.26 -5.14 116.55 117.75 2kco n ASP 22 Ca -0.14 -0.59 -0.08 0.00 -0.53 0.00 0.00 54.79 53.45 2kco n ASP 22 Cb 0.53 0.00 -0.09 0.00 -0.64 0.00 0.00 41.12 40.93 2kco n ASP 22 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 2kco s LYS 23 N -1.25 0.72 0.09 -1.24 0.00 -1.26 -5.15 119.74 111.65 2kco s LYS 23 Ca 0.00 -0.99 -0.29 0.00 0.00 0.00 0.00 55.97 54.69 2kco s LYS 23 Cb 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 37.83 38.05 2kco s LYS 23 CO 0.00 -0.19 0.91 0.50 0.00 0.00 0.00 175.35 176.57 2kco s ARG 24 N -3.61 4.65 0.75 1.78 6.06 -1.26 -5.08 118.95 122.24 2kco s ARG 24 Ca 0.03 1.35 -0.09 0.00 -2.50 0.00 0.00 55.73 54.53 2kco s ARG 24 Cb 0.05 -3.37 0.07 0.00 0.06 0.00 0.00 34.95 31.76 2kco s ARG 24 CO -0.09 0.23 1.09 0.15 -2.50 0.00 0.00 175.30 174.18 2kco s LYS 25 N -0.02 2.06 1.00 5.12 1.02 -1.26 -5.09 119.74 122.57 2kco s LYS 25 Ca 0.45 -0.11 -0.14 0.00 0.02 0.00 0.00 55.97 56.19 2kco s LYS 25 Cb -0.23 -2.07 0.19 0.00 -0.52 0.00 0.00 37.83 35.20 2kco s LYS 25 CO 0.28 -1.42 1.12 1.52 -0.92 0.00 0.00 175.35 175.93 2kco s TYR 26 N -3.40 1.97 0.29 3.18 -0.85 -1.26 -5.11 117.35 112.17 2kco s TYR 26 Ca 0.61 0.83 0.10 0.00 -0.52 0.00 0.00 57.07 58.09 2kco s TYR 26 Cb -0.11 -3.37 -0.06 0.00 0.38 0.00 0.00 41.96 38.80 2kco s TYR 26 CO 0.47 -2.89 -0.13 -1.83 -1.52 0.00 0.00 175.55 169.65 2kco s GLU 27 N -5.17 1.65 -0.08 -3.49 4.04 -1.26 -5.16 118.70 109.22 2kco s GLU 27 Ca 0.66 -1.80 0.03 0.00 0.04 0.00 0.00 54.97 53.90 2kco s GLU 27 Cb -0.15 -1.54 -0.02 0.00 0.02 0.00 0.00 34.13 32.44 2kco s GLU 27 CO 0.56 0.19 -0.18 0.42 -1.84 0.00 0.00 175.26 174.41 2kco s ILE 28 N -2.71 2.66 0.00 1.83 1.01 -1.26 -5.14 121.20 117.59 2kco s ILE 28 Ca 0.30 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 60.11 2kco s ILE 28 Cb -0.00 -2.05 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2kco s ILE 28 CO 0.14 0.56 0.00 0.61 0.00 0.00 0.00 174.94 176.25 2kco n GLY 29 N 3.01 1.07 3.00 6.18 0.00 -1.26 -5.15 105.19 112.05 2kco n GLY 29 Ca -0.18 -1.87 -0.16 0.00 0.00 0.00 0.00 46.02 43.81 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 0.83 0.67 1.61 0.01 -1.26 -5.17 114.94 110.63 2kco s ASN 30 Ca 0.00 -0.20 -0.10 0.00 -0.71 0.00 0.00 52.86 51.85 2kco s ASN 30 Cb 0.00 -0.07 0.00 0.00 0.41 0.00 0.00 41.25 41.59 2kco s ASN 30 CO 0.00 0.04 1.05 -2.16 -1.51 0.00 0.00 177.10 174.52 2kco s PRO 31 N -0.41 3.01 0.48 -0.60 0.04 -1.26 -5.07 135.00 131.20 2kco s PRO 31 Ca 0.01 0.44 -0.22 0.00 0.04 0.00 0.00 61.00 61.26 2kco s PRO 31 Cb -0.04 -2.07 -0.07 0.00 0.04 0.00 0.00 34.50 32.36 2kco s PRO 31 CO -0.00 -0.89 1.20 -1.25 0.04 0.00 0.00 177.00 176.10 2kco s PRO 32 N -5.26 3.60 0.00 0.56 0.04 -1.26 -5.01 135.00 127.67 2kco s PRO 32 Ca 0.57 1.84 -0.02 0.00 0.04 0.00 0.00 61.00 63.43 2kco s PRO 32 Cb -0.11 -2.34 -0.01 0.00 0.04 0.00 0.00 34.50 32.09 2kco s PRO 32 CO 0.51 -0.70 -0.03 0.25 0.04 0.00 0.00 177.00 177.06 2kco n THR 33 N -0.67 0.42 -2.35 1.26 -2.24 -1.26 -5.03 114.28 104.41 2kco n THR 33 Ca 0.08 0.21 -0.43 0.00 -2.27 0.00 0.00 64.05 61.64 2kco n THR 33 Cb 0.48 -1.37 -0.02 0.00 -2.10 0.00 0.00 70.33 67.32 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 -1.41 2.66 -0.24 4.78 0.08 -1.26 -4.99 117.98 117.61 2kco s PHE 34 Ca -0.03 0.85 -0.03 0.00 0.12 0.00 0.00 56.93 57.84 2kco s PHE 34 Cb 0.00 -3.65 0.10 0.00 -0.57 0.00 0.00 43.02 38.90 2kco s PHE 34 CO 0.04 -2.05 0.20 0.99 -0.10 0.00 0.00 175.22 174.30 2kco s THR 35 N 3.83 -0.26 1.05 0.64 2.01 -1.26 -5.17 115.64 116.49 2kco s THR 35 Ca 0.58 -0.33 -0.18 0.00 0.31 0.00 0.00 61.69 62.07 2kco s THR 35 Cb -0.22 -0.79 0.25 0.00 0.01 0.00 0.00 72.50 71.74 2kco s THR 35 CO 0.19 -0.38 1.29 0.35 -0.69 0.00 0.00 174.62 175.38 2kco n THR 36 N 5.30 0.00 -4.21 -0.82 -2.24 -1.26 -5.13 114.28 105.92 2kco n THR 36 Ca -0.05 -0.87 -0.12 0.00 -2.27 0.00 0.00 64.05 60.73 2kco n THR 36 Cb 0.47 -1.44 -0.10 0.00 -2.10 0.00 0.00 70.33 67.16 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 2.38 -0.21 3.22 -0.00 -1.26 -5.07 118.68 117.74 2kco s LEU 37 Ca 0.75 -1.07 0.12 0.00 -0.00 0.00 0.00 54.13 53.93 2kco s LEU 37 Cb -0.03 -0.13 0.43 0.00 -0.00 0.00 0.00 46.19 46.46 2kco s LEU 37 CO 0.54 -0.47 1.21 -1.20 -0.00 0.00 0.00 176.35 176.43 2kco n SER 38 N -0.15 2.22 0.09 1.48 7.64 -1.26 -4.85 113.62 118.79 2kco n SER 38 Ca -0.10 -3.72 -0.12 0.00 1.01 0.00 0.00 58.87 55.95 2kco n SER 38 Cb 0.62 -0.48 -0.06 0.00 -1.01 0.00 0.00 64.21 63.28 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 1.23 -0.20 -0.56 -0.43 0.00 -1.99 -0.85 119.26 116.47 2kco h ALA 39 Ca 0.05 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 54.97 2kco h ALA 39 Cb 1.16 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.10 2kco h ALA 39 CO 0.14 -0.63 0.37 1.05 0.00 0.00 0.00 179.25 180.18 2kco h GLU 40 N -0.24 0.63 -0.51 0.00 4.11 -1.98 -0.73 114.58 115.86 2kco h GLU 40 Ca 0.02 -0.04 -0.09 0.00 0.07 0.00 0.00 59.36 59.32 2kco h GLU 40 Cb 0.25 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.34 2kco h GLU 40 CO -0.06 0.42 -0.04 0.22 0.07 0.00 0.00 179.01 179.62 2kco h ASP 41 N 0.65 0.92 -0.13 3.06 3.58 -1.77 -1.04 116.42 121.69 2kco h ASP 41 Ca 0.22 -0.33 -0.08 0.00 0.42 0.00 0.00 57.03 57.27 2kco h ASP 41 Cb 0.09 -0.25 -0.02 0.00 1.72 0.00 0.00 39.33 40.87 2kco h ASP 41 CO -0.06 1.03 -0.15 0.40 -2.88 0.00 0.00 179.24 177.58 2kco h ILE 42 N 0.79 1.24 0.00 2.25 1.08 -0.57 -1.96 117.51 120.34 2kco h ILE 42 Ca 0.14 -1.08 -0.05 0.00 -0.39 0.00 0.00 64.86 63.49 2kco h ILE 42 Cb 0.58 1.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.51 2kco h ILE 42 CO 0.03 0.35 -0.23 0.03 -0.69 0.00 0.00 178.15 177.64 2kco h ARG 43 N 0.46 0.00 0.18 2.37 2.47 -0.70 -0.92 114.38 118.25 2kco h ARG 43 Ca 0.08 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.50 2kco h ARG 43 Cb 0.53 0.00 0.02 0.00 -1.65 0.00 0.00 29.97 28.87 2kco h ARG 43 CO 0.03 0.23 -1.43 0.82 0.56 0.00 0.00 179.97 180.19 2kco h ILE 44 N 0.00 1.16 0.00 2.04 5.03 -0.98 0.10 117.51 124.86 2kco h ILE 44 Ca -0.00 -2.54 -0.03 0.00 -0.12 0.00 0.00 64.86 62.17 2kco h ILE 44 Cb 0.90 2.91 -0.00 0.00 -3.03 0.00 0.00 36.82 37.60 2kco h ILE 44 CO 0.03 0.78 -0.13 0.11 -0.68 0.00 0.00 178.15 178.26 2kco h LYS 45 N -0.07 0.00 0.18 2.37 1.57 -1.29 -2.70 116.57 116.63 2kco h LYS 45 Ca -0.27 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.26 2kco h LYS 45 Cb 1.96 0.00 0.03 0.00 0.08 0.00 0.00 32.23 34.29 2kco h LYS 45 CO 0.17 0.13 -1.07 0.22 -0.57 0.00 0.00 179.45 178.34 2kco h ASP 46 N 0.00 0.62 -0.15 0.86 3.58 -1.16 -3.39 116.42 116.79 2kco h ASP 46 Ca -0.00 -0.94 -0.09 0.00 0.42 0.00 0.00 57.03 56.42 2kco h ASP 46 Cb 0.33 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2kco h ASP 46 CO 0.02 1.52 -0.20 0.08 -2.88 0.00 0.00 179.24 177.77 2kco h ARG 47 N -0.16 0.57 0.00 0.28 0.11 -0.47 -3.02 114.38 111.69 2kco h ARG 47 Ca -0.19 -0.20 0.00 0.00 0.10 0.00 0.00 59.98 59.69 2kco h ARG 47 Cb 1.84 -0.04 0.00 0.00 1.11 0.00 0.00 29.97 32.88 2kco h ARG 47 CO 0.20 0.74 0.00 -2.37 0.10 0.00 0.00 179.97 178.64 2kco n THR 48 N -4.14 0.93 -1.50 0.08 5.66 -1.11 -4.74 114.28 109.46 2kco n THR 48 Ca 0.00 0.23 -0.31 0.00 -3.05 0.00 0.00 64.05 60.92 2kco n THR 48 Cb 0.39 -0.99 0.06 0.00 -1.55 0.00 0.00 70.33 68.23 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 -2.89 3.12 0.00 1.09 2.01 -1.14 -5.00 118.68 115.86 2kco s LEU 49 Ca 0.08 1.70 0.00 0.00 0.01 0.00 0.00 54.13 55.92 2kco s LEU 49 Cb 0.09 -4.51 0.00 0.00 0.01 0.00 0.00 46.19 41.79 2kco s LEU 49 CO 0.24 -1.61 0.00 0.61 1.01 0.00 0.00 176.35 176.60 2kco n GLY 50 N -1.68 -0.79 0.00 -3.19 0.00 -1.26 -5.12 105.19 93.14 2kco n GLY 50 Ca 0.08 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.29 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 0.30 2.97 3.75 -0.02 0.00 -1.26 -5.14 105.19 105.79 2kco n GLY 51 Ca 0.00 -1.04 -0.40 0.00 0.00 0.00 0.00 46.02 44.58 2kco n GLY 51 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kco s ASN 52 N 0.00 7.46 -0.18 1.61 3.84 -1.26 -5.05 114.94 121.36 2kco s ASN 52 Ca 0.00 1.74 -0.22 0.00 0.21 0.00 0.00 52.86 54.59 2kco s ASN 52 Cb 0.00 -2.55 -0.02 0.00 -0.55 0.00 0.00 41.25 38.13 2kco s ASN 52 CO 0.00 0.08 0.68 -0.36 -2.79 0.00 0.00 177.10 174.71 2kco s PHE 53 N -0.63 3.40 0.40 0.43 0.40 -1.26 -5.05 117.98 115.66 2kco s PHE 53 Ca 0.41 1.02 -0.26 0.00 -0.60 0.00 0.00 56.93 57.50 2kco s PHE 53 Cb -0.24 -2.85 -0.09 0.00 0.51 0.00 0.00 43.02 40.36 2kco s PHE 53 CO 0.28 -0.17 1.21 -1.59 0.70 0.00 0.00 175.22 175.65 2kco s LYS 54 N 1.90 4.05 0.91 0.44 0.00 -1.26 -5.02 119.74 120.76 2kco s LYS 54 Ca 0.31 1.95 -0.12 0.00 0.00 0.00 0.00 55.97 58.11 2kco s LYS 54 Cb -0.16 -2.73 0.14 0.00 0.00 0.00 0.00 37.83 35.07 2kco s LYS 54 CO 0.11 -0.36 1.13 0.14 0.00 0.00 0.00 175.35 176.37 2kco s VAL 55 N -1.34 2.15 0.49 1.79 -7.23 -1.26 -5.05 120.40 109.94 2kco s VAL 55 Ca 0.56 0.05 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 2kco s VAL 55 Cb -0.33 -2.76 -0.09 0.00 0.56 0.00 0.00 36.38 33.76 2kco s VAL 55 CO 0.42 -0.06 0.98 -0.13 -0.31 0.00 0.00 175.10 176.00 2kco s ARG 56 N -5.22 4.01 0.85 4.82 0.52 -1.26 -5.07 118.95 117.60 2kco s ARG 56 Ca 0.64 1.05 -0.11 0.00 -0.52 0.00 0.00 55.73 56.78 2kco s ARG 56 Cb -0.15 -2.14 0.10 0.00 0.52 0.00 0.00 34.95 33.28 2kco s ARG 56 CO 0.54 -0.22 1.09 -0.48 0.02 0.00 0.00 175.30 176.25 2kco s LEU 57 N -3.75 2.54 0.68 2.53 2.34 -1.26 -5.07 118.68 116.69 2kco s LEU 57 Ca 0.61 1.62 -0.07 0.00 0.06 0.00 0.00 54.13 56.35 2kco s LEU 57 Cb -0.10 -4.14 0.05 0.00 -0.56 0.00 0.00 46.19 41.44 2kco s LEU 57 CO 0.25 -2.44 1.00 -0.54 -1.06 0.00 0.00 176.35 173.56 2kco s LYS 58 N -4.91 2.39 0.05 1.48 3.01 -1.26 -5.08 119.74 115.42 2kco s LYS 58 Ca 0.63 -0.14 -0.19 0.00 -1.01 0.00 0.00 55.97 55.26 2kco s LYS 58 Cb -0.18 -2.17 -0.06 0.00 -1.01 0.00 0.00 37.83 34.40 2kco s LYS 58 CO 0.57 -1.12 0.57 0.71 0.51 0.00 0.00 175.35 176.59 2kco s TYR 59 N -3.21 3.78 0.05 3.18 1.51 -1.26 -5.05 117.35 116.35 2kco s TYR 59 Ca 0.59 1.25 -0.31 0.00 -1.01 0.00 0.00 57.07 57.59 2kco s TYR 59 Cb -0.11 -2.52 -0.07 0.00 -0.11 0.00 0.00 41.96 39.16 2kco s TYR 59 CO 0.45 0.54 1.47 0.95 -1.11 0.00 0.00 175.55 177.85 2kco s THR 60 N -0.91 3.41 -0.17 -0.71 -4.23 -1.26 -4.96 115.64 106.80 2kco s THR 60 Ca 0.29 0.88 -0.29 0.00 -1.18 0.00 0.00 61.69 61.40 2kco s THR 60 Cb -0.19 -3.57 -0.05 0.00 1.34 0.00 0.00 72.50 70.04 2kco s THR 60 CO 0.18 0.02 1.88 -0.89 -0.54 0.00 0.00 174.62 175.27 2kco s THR 61 N 2.11 3.34 0.14 3.99 2.01 -1.26 -4.87 115.64 121.10 2kco s THR 61 Ca 0.67 0.38 0.09 0.00 0.31 0.00 0.00 61.69 63.14 2kco s THR 61 Cb -0.35 -3.36 -0.04 0.00 0.01 0.00 0.00 72.50 68.76 2kco s THR 61 CO 0.29 -0.16 -0.22 0.42 -0.69 0.00 0.00 174.62 174.26 2kco s THR 62 N 6.07 1.94 -0.17 -0.82 -4.23 -1.21 -3.15 115.64 114.07 2kco s THR 62 Ca 0.84 -1.75 -0.01 0.00 -1.18 0.00 0.00 61.69 59.58 2kco s THR 62 Cb -0.31 -1.80 -0.00 0.00 1.34 0.00 0.00 72.50 71.73 2kco s THR 62 CO 0.34 -0.10 -0.12 0.00 -0.54 0.00 0.00 174.62 174.20 2kco s ALA 63 N -1.44 2.62 -0.71 3.99 0.00 -0.29 -1.49 121.76 124.44 2kco s ALA 63 Ca 0.12 -1.07 -0.18 0.00 0.00 0.00 0.00 51.96 50.83 2kco s ALA 63 Cb -0.09 -1.38 0.13 0.00 0.00 0.00 0.00 23.12 21.78 2kco s ALA 63 CO 0.06 -0.14 0.80 1.21 0.00 0.00 0.00 175.76 177.70 2kco s ASN 64 N 0.98 6.38 -0.29 0.00 2.47 -0.63 -2.61 114.94 121.25 2kco s ASN 64 Ca -0.01 -1.80 -0.29 0.00 0.42 0.00 0.00 52.86 51.18 2kco s ASN 64 Cb -0.15 -2.30 0.01 0.00 -1.45 0.00 0.00 41.25 37.36 2kco s ASN 64 CO -0.02 -1.00 1.06 0.68 -3.72 0.00 0.00 177.10 174.10 2kco s VAL 65 N 2.21 4.57 0.05 -5.21 -7.23 -0.02 -0.81 120.40 113.95 2kco s VAL 65 Ca 0.17 1.82 -0.31 0.00 -1.81 0.00 0.00 61.98 61.86 2kco s VAL 65 Cb -0.18 -4.38 -0.06 0.00 0.56 0.00 0.00 36.38 32.32 2kco s VAL 65 CO 0.00 -0.38 1.32 -0.22 -0.31 0.00 0.00 175.10 175.51 2kco s LEU 66 N 3.50 4.35 -0.39 1.32 1.98 -0.88 0.56 118.68 129.11 2kco s LEU 66 Ca 0.45 2.13 -0.16 0.00 -2.89 0.00 0.00 54.13 53.67 2kco s LEU 66 Cb -0.13 -3.57 0.01 0.00 0.66 0.00 0.00 46.19 43.16 2kco s LEU 66 CO 0.12 -0.61 0.35 -0.62 -1.89 0.00 0.00 176.35 173.70 2kco s ASP 67 N 1.35 6.15 0.57 3.68 2.15 -0.53 -2.86 116.67 127.17 2kco s ASP 67 Ca 0.62 -0.64 0.33 0.00 0.43 0.00 0.00 52.55 53.29 2kco s ASP 67 Cb -0.32 -2.19 1.79 0.00 -0.30 0.00 0.00 42.92 41.91 2kco s ASP 67 CO 0.28 -0.45 2.00 1.55 -0.17 0.00 0.00 175.17 178.38 2kco h PRO 68 N 8.62 0.00 0.14 4.34 0.13 -1.90 0.15 132.00 143.48 2kco h PRO 68 Ca -0.28 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.84 2kco h PRO 68 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 2kco h PRO 68 CO 0.73 0.00 -0.07 0.00 -0.23 0.00 0.00 178.00 178.44 2kco h ALA 69 N 1.73 -0.19 -0.01 -0.56 0.00 -1.93 -3.38 119.26 114.92 2kco h ALA 69 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2kco h ALA 69 Cb 0.25 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2kco h ALA 69 CO 0.00 -0.18 -0.45 0.25 0.00 0.00 0.00 179.25 178.87 2kco n THR 70 N -4.91 0.00 -3.62 0.00 -2.24 -1.19 -4.98 114.28 97.34 2kco n THR 70 Ca -0.02 -0.11 -0.21 0.00 -2.27 0.00 0.00 64.05 61.43 2kco n THR 70 Cb 0.08 0.62 0.06 0.00 -2.10 0.00 0.00 70.33 68.98 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 -0.83 -2.80 -4.09 3.42 2.85 0.53 -5.02 115.26 109.33 2kco n ASN 71 Ca 0.09 -0.70 -0.18 0.00 -0.11 0.00 0.00 54.58 53.68 2kco n ASN 71 Cb 0.37 -4.56 -0.13 0.00 1.24 0.00 0.00 39.78 36.69 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 -3.46 0.87 0.23 -0.44 -4.23 -1.23 -4.95 115.64 102.44 2kco s THR 72 Ca 0.19 -0.79 -0.15 0.00 -1.18 0.00 0.00 61.69 59.75 2kco s THR 72 Cb -0.09 -0.79 -0.08 0.00 1.34 0.00 0.00 72.50 72.88 2kco s THR 72 CO 0.77 0.01 0.65 0.00 -0.54 0.00 0.00 174.62 175.52 2kco s ALA 73 N -0.70 3.46 -0.11 3.99 0.00 -1.26 -1.45 121.76 125.68 2kco s ALA 73 Ca 0.00 -0.01 -0.04 0.00 0.00 0.00 0.00 51.96 51.91 2kco s ALA 73 Cb -0.07 -2.67 0.06 0.00 0.00 0.00 0.00 23.12 20.44 2kco s ALA 73 CO 0.01 0.39 0.22 0.21 0.00 0.00 0.00 175.76 176.58 2kco s LYS 74 N -2.37 0.11 -0.46 0.00 2.20 0.19 -4.92 119.74 114.49 2kco s LYS 74 Ca 0.45 0.64 -0.20 0.00 -0.36 0.00 0.00 55.97 56.51 2kco s LYS 74 Cb -0.14 -0.14 0.04 0.00 -1.51 0.00 0.00 37.83 36.08 2kco s LYS 74 CO 0.20 -0.28 0.61 0.15 -0.36 0.00 0.00 175.35 175.67 2kco s LYS 75 N 2.21 3.19 0.13 4.03 1.02 -1.26 -0.84 119.74 128.22 2kco s LYS 75 Ca 0.00 -0.62 0.10 0.00 0.02 0.00 0.00 55.97 55.47 2kco s LYS 75 Cb -0.12 -4.01 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 2kco s LYS 75 CO -0.07 -1.07 -0.24 0.14 -0.92 0.00 0.00 175.35 173.19 2kco s VAL 76 N 2.66 2.03 0.64 3.17 -7.23 -1.07 -4.98 120.40 115.62 2kco s VAL 76 Ca 0.18 -1.72 -0.16 0.00 -1.81 0.00 0.00 61.98 58.48 2kco s VAL 76 Cb -0.16 -1.83 -0.01 0.00 0.56 0.00 0.00 36.38 34.93 2kco s VAL 76 CO 0.15 -0.01 1.12 -0.75 -0.31 0.00 0.00 175.10 175.30 2kco s LYS 77 N -2.11 2.88 -0.19 4.82 2.20 -1.26 -1.14 119.74 124.93 2kco s LYS 77 Ca 0.12 1.44 -0.17 0.00 -0.36 0.00 0.00 55.97 56.99 2kco s LYS 77 Cb -0.09 -1.96 -0.04 0.00 -1.51 0.00 0.00 37.83 34.23 2kco s LYS 77 CO 0.06 -1.20 0.46 0.42 -0.36 0.00 0.00 175.35 174.73 2kco s ILE 78 N -2.24 5.16 0.00 5.43 1.01 -1.19 -3.15 121.20 126.23 2kco s ILE 78 Ca 0.68 0.84 0.00 0.00 0.00 0.00 0.00 60.65 62.17 2kco s ILE 78 Cb -0.21 -3.79 0.00 0.00 0.01 0.00 0.00 42.46 38.47 2kco s ILE 78 CO 0.39 0.23 0.00 0.18 0.00 0.00 0.00 174.94 175.74 2kco n LEU 79 N 4.48 0.23 -3.81 2.97 4.32 -0.84 -5.03 117.00 119.31 2kco n LEU 79 Ca -0.07 0.00 -0.13 0.00 -0.02 0.00 0.00 56.01 55.79 2kco n LEU 79 Cb 0.51 0.00 -0.15 0.00 -1.62 0.00 0.00 43.42 42.16 2kco n LEU 79 CO 0.41 0.00 -0.32 -1.83 -1.22 0.00 0.00 177.39 174.43 2kco s GLU 80 N 0.00 0.01 -0.21 3.23 -1.05 -1.12 -4.97 118.70 114.59 2kco s GLU 80 Ca 0.00 0.14 -0.19 0.00 -0.15 0.00 0.00 54.97 54.77 2kco s GLU 80 Cb 0.00 -0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.55 2kco s GLU 80 CO 0.00 -0.09 0.57 0.96 0.95 0.00 0.00 175.26 177.65 2kco s ILE 81 N 0.59 5.05 -0.12 1.83 -0.00 -1.26 -0.28 121.20 127.00 2kco s ILE 81 Ca -0.05 1.05 -0.26 0.00 -0.00 0.00 0.00 60.65 61.39 2kco s ILE 81 Cb -0.07 -3.89 -0.27 0.00 -0.00 0.00 0.00 42.46 38.23 2kco s ILE 81 CO -0.02 0.12 0.75 -0.07 -0.00 0.00 0.00 174.94 175.72 2kco h LEU 82 N 8.27 0.12 -8.13 0.37 -0.00 -1.48 -3.39 115.31 111.07 2kco h LEU 82 Ca -0.31 -0.95 -0.73 0.00 -0.00 0.00 0.00 57.88 55.89 2kco h LEU 82 Cb 1.14 -0.04 -0.22 0.00 -0.00 0.00 0.00 40.66 41.55 2kco h LEU 82 CO 0.75 1.15 -0.05 -0.70 -0.00 0.00 0.00 178.44 179.59 2kco s GLU 83 N -2.29 3.02 -0.30 1.13 2.12 -1.20 -4.99 118.70 116.19 2kco s GLU 83 Ca -0.18 -1.51 -0.29 0.00 0.36 0.00 0.00 54.97 53.35 2kco s GLU 83 Cb -0.01 -4.28 0.02 0.00 0.26 0.00 0.00 34.13 30.11 2kco s GLU 83 CO 0.72 -1.44 1.08 0.99 -0.54 0.00 0.00 175.26 176.07 2kco s THR 84 N 2.16 4.52 0.89 -1.70 2.01 -1.26 -3.57 115.64 118.70 2kco s THR 84 Ca 0.07 1.77 -0.12 0.00 0.31 0.00 0.00 61.69 63.73 2kco s THR 84 Cb -0.27 -4.39 0.13 0.00 0.01 0.00 0.00 72.50 67.98 2kco s THR 84 CO 0.05 -0.43 1.10 -2.16 -0.69 0.00 0.00 174.62 172.49 2kco s PRO 85 N 3.59 1.28 0.50 4.92 0.04 -1.26 -4.94 135.00 139.14 2kco s PRO 85 Ca 0.46 0.67 0.21 0.00 0.04 0.00 0.00 61.00 62.37 2kco s PRO 85 Cb -0.13 -1.82 1.28 0.00 0.04 0.00 0.00 34.50 33.87 2kco s PRO 85 CO 0.14 -2.18 2.01 0.00 0.04 0.00 0.00 177.00 177.01 2kco h ALA 86 N -1.50 2.30 -0.45 8.56 0.00 -2.00 -2.79 119.26 123.38 2kco h ALA 86 Ca -0.50 -0.01 -0.69 0.00 0.00 0.00 0.00 54.91 53.71 2kco h ALA 86 Cb 1.29 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.00 2kco h ALA 86 CO 0.57 -0.42 2.58 0.27 0.00 0.00 0.00 179.25 182.25 2kco n ASN 87 N -4.43 8.07 -0.23 0.00 6.94 -1.26 -4.75 115.26 119.60 2kco n ASN 87 Ca 0.08 -2.98 -0.03 0.00 -0.02 0.00 0.00 54.58 51.63 2kco n ASN 87 Cb 0.47 -1.40 0.08 0.00 -2.36 0.00 0.00 39.78 36.57 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 4.55 0.73 -0.46 -3.83 -0.00 -1.87 -1.60 116.57 114.09 2kco h LYS 88 Ca 0.72 -0.04 0.12 0.00 -0.00 0.00 0.00 60.65 61.44 2kco h LYS 88 Cb 0.36 -0.16 -0.02 0.00 -0.00 0.00 0.00 32.23 32.40 2kco h LYS 88 CO 1.48 0.48 0.33 1.05 -0.00 0.00 0.00 179.45 182.79 2kco h GLU 89 N 0.75 0.08 0.00 0.07 9.09 -1.90 -0.28 114.58 122.39 2kco h GLU 89 Ca 0.28 -0.00 -0.01 0.00 0.05 0.00 0.00 59.36 59.67 2kco h GLU 89 Cb 0.10 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.18 2kco h GLU 89 CO -0.14 0.05 -0.10 -0.07 0.05 0.00 0.00 179.01 178.80 2kco h LEU 90 N 0.08 0.00 -1.98 3.06 -0.00 -1.70 -3.37 115.31 111.40 2kco h LEU 90 Ca 0.22 -0.52 0.22 0.00 -0.00 0.00 0.00 57.88 57.80 2kco h LEU 90 Cb 0.76 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.39 2kco h LEU 90 CO -0.02 0.82 0.58 0.00 -0.00 0.00 0.00 178.44 179.82 2kco h ALA 91 N -0.48 2.67 -0.20 1.53 0.00 -0.32 0.39 119.26 122.84 2kco h ALA 91 Ca -0.02 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.72 2kco h ALA 91 Cb 0.59 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2kco h ALA 91 CO -0.01 -0.97 -0.47 0.00 0.00 0.00 0.00 179.25 177.80 2kco h ARG 92 N 0.00 0.53 0.00 0.00 3.08 -1.27 -2.07 114.38 114.64 2kco h ARG 92 Ca 0.36 -0.30 0.00 0.00 0.07 0.00 0.00 59.98 60.11 2kco h ARG 92 Cb 1.51 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.58 2kco h ARG 92 CO -0.00 0.89 0.00 0.54 -1.07 0.00 0.00 179.97 180.32 2kco n ARG 93 N -3.99 0.16 -0.12 0.04 1.74 0.01 -4.90 116.66 109.60 2kco n ARG 93 Ca -0.02 0.24 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2kco n ARG 93 Cb 0.55 -1.73 0.00 0.00 -1.02 0.00 0.00 32.46 30.27 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 0.80 0.71 3.50 -0.13 0.00 -0.78 -4.93 105.19 104.37 2kco n GLY 94 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.15 4.21 0.00 -0.61 -1.09 -0.51 -4.89 121.20 116.16 2kco s ILE 95 Ca 0.00 -0.72 0.02 0.00 -2.23 0.00 0.00 60.65 57.73 2kco s ILE 95 Cb 0.00 -4.87 -0.03 0.00 -1.58 0.00 0.00 42.46 35.97 2kco s ILE 95 CO 0.00 -1.70 -0.04 -0.63 -1.23 0.00 0.00 174.94 171.35 2kco s ILE 96 N 4.24 3.87 0.16 2.92 1.01 -1.26 -1.84 121.20 130.30 2kco s ILE 96 Ca 0.35 -0.71 -0.03 0.00 0.00 0.00 0.00 60.65 60.27 2kco s ILE 96 Cb -0.06 -2.70 -0.05 0.00 0.01 0.00 0.00 42.46 39.65 2kco s ILE 96 CO -0.01 0.38 0.37 -0.51 0.00 0.00 0.00 174.94 175.17 2kco s ILE 97 N -1.04 5.20 0.29 2.92 2.07 -1.26 -4.19 121.20 125.18 2kco s ILE 97 Ca 0.18 -0.15 -0.28 0.00 -1.41 0.00 0.00 60.65 58.99 2kco s ILE 97 Cb -0.11 -3.67 -0.14 0.00 0.13 0.00 0.00 42.46 38.67 2kco s ILE 97 CO 0.09 -0.04 0.99 -1.14 -1.91 0.00 0.00 174.94 172.93 2kco n ARG 98 N -0.20 1.31 0.00 3.50 0.63 -1.25 -3.09 116.66 117.56 2kco n ARG 98 Ca -0.03 0.46 0.00 0.00 -0.92 0.00 0.00 57.85 57.36 2kco n ARG 98 Cb 0.52 -1.82 0.00 0.00 0.45 0.00 0.00 32.46 31.62 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 1.24 2.90 3.75 5.14 0.00 -0.25 -5.02 105.19 112.96 2kco n GLY 99 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.70 3.38 0.06 4.61 0.00 -1.18 -4.82 121.76 121.11 2kco s ALA 100 Ca 0.00 0.31 -0.26 0.00 0.00 0.00 0.00 51.96 52.01 2kco s ALA 100 Cb 0.00 -3.00 -0.05 0.00 0.00 0.00 0.00 23.12 20.06 2kco s ALA 100 CO 0.00 0.10 0.82 0.15 0.00 0.00 0.00 175.76 176.83 2kco s LYS 101 N -0.23 4.55 0.13 0.00 3.01 -1.23 -1.85 119.74 124.10 2kco s LYS 101 Ca 0.38 1.16 0.04 0.00 -1.01 0.00 0.00 55.97 56.55 2kco s LYS 101 Cb -0.21 -3.37 -0.04 0.00 -1.01 0.00 0.00 37.83 33.20 2kco s LYS 101 CO 0.24 0.25 -0.10 -1.50 0.51 0.00 0.00 175.35 174.75 2kco s ILE 102 N 0.00 1.08 -0.12 2.17 2.07 -0.16 -1.17 121.20 125.07 2kco s ILE 102 Ca 0.41 -1.90 0.03 0.00 -1.41 0.00 0.00 60.65 57.78 2kco s ILE 102 Cb -0.21 -1.67 0.00 0.00 0.13 0.00 0.00 42.46 40.71 2kco s ILE 102 CO 0.25 -0.68 -0.22 -0.13 -1.91 0.00 0.00 174.94 172.25 2kco s ARG 103 N -3.39 3.09 0.27 3.50 0.52 0.61 -1.22 118.95 122.34 2kco s ARG 103 Ca 0.12 -0.84 0.03 0.00 -0.52 0.00 0.00 55.73 54.52 2kco s ARG 103 Cb 0.01 -2.39 0.03 0.00 0.52 0.00 0.00 34.95 33.11 2kco s ARG 103 CO 0.00 0.13 0.24 0.25 0.02 0.00 0.00 175.30 175.94 2kco n THR 104 N 3.67 0.00 0.28 0.02 -2.24 -0.64 -2.00 114.28 113.38 2kco n THR 104 Ca -0.19 -1.02 0.17 0.00 -2.27 0.00 0.00 64.05 60.75 2kco n THR 104 Cb 0.53 -0.39 0.74 0.00 -2.10 0.00 0.00 70.33 69.10 2kco n THR 104 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2kco h GLU 105 N 0.00 0.00 0.00 -0.78 5.08 -1.87 -3.34 114.58 113.67 2kco h GLU 105 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 2kco h GLU 105 Cb 0.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2kco h GLU 105 CO 0.24 0.02 -0.04 0.00 -1.00 0.00 0.00 179.01 178.23 2kco h ALA 106 N 1.98 0.00 -2.58 3.43 0.00 -1.95 -3.51 119.26 116.63 2kco h ALA 106 Ca -0.00 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2kco h ALA 106 Cb 0.46 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2kco h ALA 106 CO 0.00 0.04 0.33 0.41 0.00 0.00 0.00 179.25 180.04 2kco n GLY 107 N 1.87 0.99 3.70 0.00 0.00 -1.26 -5.12 105.19 105.37 2kco n GLY 107 Ca -0.01 -1.16 -0.42 0.00 0.00 0.00 0.00 46.02 44.44 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 0.16 0.99 2.96 -1.26 -1.62 118.68 124.28 2kco s LEU 108 Ca 0.15 2.54 0.03 0.00 -0.22 0.00 0.00 54.13 56.62 2kco s LEU 108 Cb -0.03 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 43.04 2kco s LEU 108 CO 0.07 -0.87 -0.04 0.00 -1.32 0.00 0.00 176.35 174.19 2kco s ALA 109 N 2.14 1.37 -0.16 5.97 0.00 -0.35 -2.25 121.76 128.48 2kco s ALA 109 Ca 0.73 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 2kco s ALA 109 Cb -0.41 0.32 -0.01 0.00 0.00 0.00 0.00 23.12 23.02 2kco s ALA 109 CO 0.32 -0.23 -0.12 0.54 0.00 0.00 0.00 175.76 176.27 2kco s VAL 110 N -3.52 2.92 -0.00 0.00 0.11 -0.37 -0.99 120.40 118.54 2kco s VAL 110 Ca 0.20 -0.68 -0.30 0.00 -2.93 0.00 0.00 61.98 58.27 2kco s VAL 110 Cb 0.05 -2.25 -0.06 0.00 -1.53 0.00 0.00 36.38 32.59 2kco s VAL 110 CO 0.02 0.50 1.50 0.68 -3.33 0.00 0.00 175.10 174.47 2kco s VAL 111 N 0.82 3.55 -0.58 2.04 -7.23 -0.77 -0.90 120.40 117.32 2kco s VAL 111 Ca -0.04 0.89 0.06 0.00 -1.81 0.00 0.00 61.98 61.08 2kco s VAL 111 Cb -0.15 -3.58 0.16 0.00 0.56 0.00 0.00 36.38 33.37 2kco s VAL 111 CO 0.00 -0.02 1.09 0.35 -0.31 0.00 0.00 175.10 176.21 2kco n THR 112 N 4.87 0.86 -4.14 5.32 -2.24 -0.17 -1.09 114.28 117.70 2kco n THR 112 Ca 0.15 -0.93 -0.09 0.00 -2.27 0.00 0.00 64.05 60.91 2kco n THR 112 Cb 0.43 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.15 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 -0.94 0.47 0.46 3.42 0.15 -0.99 -4.96 113.70 111.31 2kco s SER 113 Ca 0.13 -1.13 -0.13 0.00 0.70 0.00 0.00 55.95 55.52 2kco s SER 113 Cb 0.07 0.24 -0.07 0.00 -1.71 0.00 0.00 66.02 64.55 2kco s SER 113 CO 0.09 -0.66 0.87 -0.13 1.20 0.00 0.00 173.24 174.60 2kco s ARG 114 N -3.99 3.82 -0.20 5.44 3.00 -1.26 -3.84 118.95 121.92 2kco s ARG 114 Ca 0.18 0.66 -0.30 0.00 0.00 0.00 0.00 55.73 56.27 2kco s ARG 114 Cb 0.07 -2.28 -0.08 0.00 0.00 0.00 0.00 34.95 32.67 2kco s ARG 114 CO -0.02 -0.16 2.15 -2.30 0.00 0.00 0.00 175.30 174.97 2kco n PRO 115 N -1.52 1.92 -1.22 3.54 -0.02 -1.26 -4.59 135.00 131.85 2kco n PRO 115 Ca 0.04 0.58 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 2kco n PRO 115 Cb 0.54 -2.99 0.21 0.00 -0.02 0.00 0.00 33.50 31.24 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 7.16 1.59 0.37 -1.23 0.00 -0.33 -4.90 107.32 109.98 2kco s GLY 116 Ca 1.00 -0.76 0.05 0.00 0.00 0.00 0.00 44.72 45.01 2kco s GLY 116 CO 0.41 0.01 1.97 -1.61 0.00 0.00 0.00 173.10 173.88 2kco h GLN 117 N -2.21 0.60 0.00 2.90 -0.00 -1.94 -1.85 115.11 112.60 2kco h GLN 117 Ca -0.48 -0.07 -0.03 0.00 -0.00 0.00 0.00 58.65 58.06 2kco h GLN 117 Cb 1.31 -0.12 -0.00 0.00 0.00 0.00 0.00 27.48 28.66 2kco h GLN 117 CO 0.44 0.48 -0.15 0.22 0.00 0.00 0.00 178.83 179.82 2kco h ASP 118 N 0.60 0.00 0.00 -0.69 3.58 -2.02 -3.46 116.42 114.43 2kco h ASP 118 Ca 0.15 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.60 2kco h ASP 118 Cb 0.09 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.14 2kco h ASP 118 CO -0.02 0.15 0.00 0.61 -2.88 0.00 0.00 179.24 177.10 2kco n GLY 119 N -0.89 2.00 3.15 -0.78 0.00 -0.70 -4.91 105.19 103.07 2kco n GLY 119 Ca -0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.75 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 1.39 -0.32 1.61 0.11 -1.26 -3.31 120.40 116.62 2kco s VAL 120 Ca 0.00 -0.73 -0.04 0.00 -2.93 0.00 0.00 61.98 58.28 2kco s VAL 120 Cb 0.00 -1.17 0.05 0.00 -1.53 0.00 0.00 36.38 33.73 2kco s VAL 120 CO 0.00 0.40 0.06 -0.63 -3.33 0.00 0.00 175.10 171.59 2kco s ILE 121 N -0.25 3.32 0.20 7.04 1.09 -0.56 -1.19 121.20 130.85 2kco s ILE 121 Ca 0.03 -1.34 -0.31 0.00 -1.10 0.00 0.00 60.65 57.93 2kco s ILE 121 Cb -0.08 -2.93 -0.09 0.00 -1.06 0.00 0.00 42.46 38.29 2kco s ILE 121 CO 0.00 -0.18 1.43 0.20 -0.10 0.00 0.00 174.94 176.29 2kco s ASN 122 N 1.37 6.72 0.18 3.58 0.01 -1.26 -1.61 114.94 123.93 2kco s ASN 122 Ca -0.03 2.54 0.05 0.00 -0.71 0.00 0.00 52.86 54.72 2kco s ASN 122 Cb -0.20 -2.61 -0.05 0.00 0.41 0.00 0.00 41.25 38.81 2kco s ASN 122 CO 0.00 -0.68 -0.10 0.00 -1.51 0.00 0.00 177.10 174.82 2kco s ALA 123 N 0.44 1.68 -0.18 0.60 0.00 0.01 -1.00 121.76 123.30 2kco s ALA 123 Ca 0.62 -1.59 -0.01 0.00 0.00 0.00 0.00 51.96 50.97 2kco s ALA 123 Cb -0.40 0.09 -0.00 0.00 0.00 0.00 0.00 23.12 22.80 2kco s ALA 123 CO 0.38 -0.08 -0.11 0.08 0.00 0.00 0.00 175.76 176.03 2kco s VAL 124 N -3.24 2.96 -0.04 0.00 1.01 -0.08 -2.08 120.40 118.93 2kco s VAL 124 Ca 0.20 -0.65 -0.30 0.00 0.00 0.00 0.00 61.98 61.23 2kco s VAL 124 Cb 0.02 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 34.04 2kco s VAL 124 CO 0.04 0.48 1.85 -0.76 0.00 0.00 0.00 175.10 176.71 2kco s LEU 125 N 1.06 4.27 0.27 3.92 1.43 -1.14 -1.24 118.68 127.25 2kco s LEU 125 Ca -0.00 2.37 -0.02 0.00 -1.03 0.00 0.00 54.13 55.45 2kco s LEU 125 Cb -0.15 -3.53 0.37 0.00 0.03 0.00 0.00 46.19 42.91 2kco s LEU 125 CO -0.02 -1.10 1.82 -0.07 0.23 0.00 0.00 176.35 177.21 2kco h LEU 126 N 10.94 0.82 0.00 1.79 3.38 -1.80 -3.41 115.31 127.03 2kco h LEU 126 Ca -0.44 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2kco h LEU 126 Cb 1.21 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.75 2kco h LEU 126 CO 0.95 0.79 0.00 0.29 0.09 0.00 0.00 178.44 180.56 2kco n LYS 127 N -4.28 0.00 -2.08 1.13 4.76 -1.26 -4.43 118.16 112.00 2kco n LYS 127 Ca 0.04 0.00 -0.39 0.00 -2.87 0.00 0.00 58.31 55.10 2kco n LYS 127 Cb 0.22 0.00 -0.03 0.00 -1.84 0.00 0.00 35.03 33.38 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 -4.00 5.36 -0.19 4.39 2.47 -1.26 -4.97 114.94 116.73 2kco s ASN 128 Ca 0.00 0.30 -0.02 0.00 0.42 0.00 0.00 52.86 53.55 2kco s ASN 128 Cb 0.00 -2.53 -0.00 0.00 -1.45 0.00 0.00 41.25 37.26 2kco s ASN 128 CO 0.00 -2.32 -0.09 -0.70 -3.72 0.00 0.00 177.10 170.27 2kco s GLU 129 N 6.90 3.31 0.52 0.43 -6.30 -1.26 -5.12 118.70 117.18 2kco s GLU 129 Ca 0.65 -0.68 -0.23 0.00 -2.50 0.00 0.00 54.97 52.21 2kco s GLU 129 Cb -0.12 -2.84 -0.06 0.00 0.00 0.00 0.00 34.13 31.10 2kco s GLU 129 CO 0.21 -0.11 1.38 0.45 0.02 0.00 0.00 175.26 177.20 2kco n SER 130 N 4.47 2.85 -4.54 -1.70 2.88 -1.26 -4.83 113.62 111.49 2kco n SER 130 Ca -0.19 1.02 -0.39 0.00 -1.33 0.00 0.00 58.87 57.98 2kco n SER 130 Cb 0.51 -1.58 -0.05 0.00 -0.75 0.00 0.00 64.21 62.34 2kco n SER 130 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2kco n GLN 131 N -0.76 1.08 -3.87 -1.46 7.27 -1.26 -4.91 117.38 113.47 2kco n GLN 131 Ca 0.09 0.11 -0.11 0.00 0.07 0.00 0.00 57.00 57.15 2kco n GLN 131 Cb 0.44 -3.11 -0.11 0.00 2.41 0.00 0.00 30.24 29.87 2kco n GLN 131 CO 0.00 0.00 0.00 1.03 0.07 0.00 0.00 177.06 178.16 2kco s ARG 132 N 7.87 0.33 0.00 3.69 0.52 -1.26 -5.36 118.95 124.74 2kco s ARG 132 Ca 1.04 -0.20 0.00 0.00 -0.52 0.00 0.00 55.73 56.05 2kco s ARG 132 Cb -0.39 0.14 0.00 0.00 0.52 0.00 0.00 34.95 35.22 2kco s ARG 132 CO 0.32 -0.07 0.00 0.43 0.02 0.00 0.00 175.30 176.00