#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kks s ILE 2 N 0.00 2.17 -0.14 3.17 2.07 -0.15 -1.41 121.20 126.92 2kks s ILE 2 Ca 0.00 -0.94 0.02 0.00 -1.41 0.00 0.00 60.65 58.32 2kks s ILE 2 Cb 0.00 -1.88 0.00 0.00 0.13 0.00 0.00 42.46 40.72 2kks s ILE 2 CO 0.00 0.54 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.49 2kks s THR 3 N 0.81 2.36 0.13 4.00 2.01 -0.33 -0.78 115.64 123.83 2kks s THR 3 Ca -0.07 -0.89 -0.06 0.00 0.31 0.00 0.00 61.69 60.99 2kks s THR 3 Cb -0.15 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.38 2kks s THR 3 CO -0.02 0.54 0.17 -1.48 -0.69 0.00 0.00 174.62 173.14 2kks s LEU 4 N 0.67 1.42 0.48 4.42 0.05 -0.53 -0.71 118.68 124.47 2kks s LEU 4 Ca -0.09 -0.96 0.04 0.00 0.05 0.00 0.00 54.13 53.16 2kks s LEU 4 Cb -0.16 0.79 0.02 0.00 -2.05 0.00 0.00 46.19 44.79 2kks s LEU 4 CO 0.02 -0.79 0.67 0.42 -0.55 0.00 0.00 176.35 176.11 2kks s THR 5 N -3.97 3.08 0.34 5.48 -4.23 -1.26 -2.87 115.64 112.20 2kks s THR 5 Ca 0.17 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 59.93 2kks s THR 5 Cb 0.05 -3.10 0.29 0.00 1.34 0.00 0.00 72.50 71.08 2kks s THR 5 CO -0.02 -0.06 1.95 0.50 -0.54 0.00 0.00 174.62 176.46 2kks h LYS 6 N 0.37 0.83 -0.58 3.99 3.11 -0.94 -0.78 116.57 122.58 2kks h LYS 6 Ca -0.42 -0.05 -0.08 0.00 -2.81 0.00 0.00 60.65 57.29 2kks h LYS 6 Cb 1.28 -0.19 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2kks h LYS 6 CO 0.51 0.55 0.05 -0.22 -2.81 0.00 0.00 179.45 177.52 2kks h LYS 7 N 0.85 0.99 -0.66 1.90 3.11 -1.83 0.46 116.57 121.41 2kks h LYS 7 Ca 0.32 -0.29 -0.07 0.00 -2.81 0.00 0.00 60.65 57.80 2kks h LYS 7 Cb 0.19 -0.10 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 2kks h LYS 7 CO -0.11 0.96 0.14 1.96 -2.81 0.00 0.00 179.45 179.59 2kks h GLN 8 N 0.88 1.07 -0.60 1.90 1.08 -1.73 0.40 115.11 118.11 2kks h GLN 8 Ca 0.17 -0.27 -0.01 0.00 -1.45 0.00 0.00 58.65 57.09 2kks h GLN 8 Cb 0.49 -0.13 -0.03 0.00 -0.05 0.00 0.00 27.48 27.76 2kks h GLN 8 CO 0.02 0.97 0.33 1.98 -0.95 0.00 0.00 178.83 181.18 2kks h MET 9 N 0.99 0.83 -0.31 1.46 4.05 -0.89 -1.53 114.93 119.53 2kks h MET 9 Ca 0.20 -0.10 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 2kks h MET 9 Cb 0.40 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.02 2kks h MET 9 CO 0.01 0.64 -0.11 0.93 0.23 0.00 0.00 176.91 178.61 2kks h GLU 10 N 0.81 0.52 -0.92 0.39 4.39 -0.43 0.21 114.58 119.54 2kks h GLU 10 Ca 0.21 -0.15 0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kks h GLU 10 Cb 0.05 -0.06 -0.05 0.00 -0.10 0.00 0.00 28.75 28.59 2kks h GLU 10 CO -0.03 0.63 0.59 0.93 -1.16 0.00 0.00 179.01 179.96 2kks h GLU 11 N 0.49 1.23 -0.00 2.33 5.08 0.35 0.67 114.58 124.73 2kks h GLU 11 Ca 0.09 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kks h GLU 11 Cb 0.48 -0.27 -0.00 0.00 0.50 0.00 0.00 28.75 29.46 2kks h GLU 11 CO 0.03 0.84 -0.01 0.52 -1.00 0.00 0.00 179.01 179.39 2kks h MET 12 N 1.26 0.01 -0.74 2.33 2.86 -0.79 -3.01 114.93 116.86 2kks h MET 12 Ca 0.33 -0.01 -0.04 0.00 -2.06 0.00 0.00 59.70 57.93 2kks h MET 12 Cb -0.10 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 31.52 2kks h MET 12 CO -0.07 0.52 0.29 -0.07 1.06 0.00 0.00 176.91 178.64 2kks h LEU 13 N -0.49 1.02 -1.00 1.22 3.38 -0.36 -2.20 115.31 116.88 2kks h LEU 13 Ca 0.00 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 57.80 2kks h LEU 13 Cb 0.51 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 40.95 2kks h LEU 13 CO 0.00 0.92 0.66 0.00 0.09 0.00 0.00 178.44 180.10 2kks h ALA 14 N 1.14 1.26 -0.77 1.53 0.00 0.26 0.15 119.26 122.83 2kks h ALA 14 Ca 0.25 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kks h ALA 14 Cb 0.22 -0.40 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 2kks h ALA 14 CO -0.02 0.66 0.49 1.25 0.00 0.00 0.00 179.25 181.62 2kks h HIS 15 N 1.35 0.99 -0.34 0.00 -0.00 -1.29 0.21 115.15 116.07 2kks h HIS 15 Ca 0.36 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.72 2kks h HIS 15 Cb -0.15 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 26.91 2kks h HIS 15 CO -0.00 0.65 0.13 0.00 -0.00 0.00 0.00 177.93 178.71 2kks h ALA 16 N 1.26 0.44 -0.83 5.26 0.00 -0.69 0.17 119.26 124.87 2kks h ALA 16 Ca 0.28 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2kks h ALA 16 Cb -0.08 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.54 2kks h ALA 16 CO -0.06 0.04 0.43 0.00 0.00 0.00 0.00 179.25 179.66 2kks h ARG 17 N 0.39 1.17 -0.19 0.00 3.08 -0.31 -1.89 114.38 116.63 2kks h ARG 17 Ca 0.11 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.81 2kks h ARG 17 Cb 0.19 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 30.03 2kks h ARG 17 CO -0.01 0.88 -0.67 0.37 -1.07 0.00 0.00 179.97 179.47 2kks h GLN 18 N 1.16 0.73 -0.30 0.04 4.15 -0.43 -3.21 115.11 117.25 2kks h GLN 18 Ca 0.29 -0.53 0.00 0.00 0.77 0.00 0.00 58.65 59.18 2kks h GLN 18 Cb 0.07 0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.85 2kks h GLN 18 CO -0.04 1.15 0.00 0.00 -1.93 0.00 0.00 178.83 178.01 2kks n ALA 19 N -2.57 2.46 -1.71 3.38 0.00 0.57 -4.91 120.51 117.73 2kks n ALA 19 Ca -0.05 -0.57 -0.40 0.00 0.00 0.00 0.00 53.44 52.42 2kks n ALA 19 Cb 0.68 -1.00 0.02 0.00 0.00 0.00 0.00 19.45 19.16 2kks n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kks n LEU 20 N 0.44 4.46 -2.16 0.00 4.77 -0.73 -0.40 117.00 123.37 2kks n LEU 20 Ca 0.12 1.05 -0.26 0.00 -0.03 0.00 0.00 56.01 56.89 2kks n LEU 20 Cb 0.29 -1.52 0.12 0.00 -2.33 0.00 0.00 43.42 39.98 2kks n LEU 20 CO 0.09 -0.69 1.30 -0.81 -1.33 0.00 0.00 177.39 175.95 2kks n PRO 21 N -0.32 2.30 -0.87 3.23 -0.04 -1.26 -5.09 135.00 132.94 2kks n PRO 21 Ca 0.08 -2.80 -0.11 0.00 -0.04 0.00 0.00 63.50 60.63 2kks n PRO 21 Cb 0.42 -2.10 0.07 0.00 -0.04 0.00 0.00 33.50 31.85 2kks n PRO 21 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2kks n ASN 22 N -0.83 0.15 0.07 3.54 3.02 0.46 -4.27 115.26 117.40 2kks n ASN 22 Ca 0.55 -1.24 0.02 0.00 -0.03 0.00 0.00 54.58 53.88 2kks n ASN 22 Cb 1.13 -0.36 -0.04 0.00 -0.61 0.00 0.00 39.78 39.90 2kks n ASN 22 CO 0.00 0.00 0.00 1.05 -2.62 0.00 0.00 177.26 175.69 2kks h GLU 23 N 0.00 0.00 -4.39 3.52 -0.00 -1.61 -3.42 114.58 108.68 2kks h GLU 23 Ca -0.16 0.00 0.01 0.00 -0.00 0.00 0.00 59.36 59.21 2kks h GLU 23 Cb 0.46 0.00 -0.09 0.00 -0.00 0.00 0.00 28.75 29.12 2kks h GLU 23 CO 0.12 0.30 -1.13 0.00 -0.00 0.00 0.00 179.01 178.31 2kks n ALA 24 N -2.33 -3.34 -2.52 1.06 0.00 -1.26 -2.40 120.51 109.73 2kks n ALA 24 Ca -0.06 1.60 -0.25 0.00 0.00 0.00 0.00 53.44 54.74 2kks n ALA 24 Cb 0.78 -3.19 -0.08 0.00 0.00 0.00 0.00 19.45 16.95 2kks n ALA 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2kks n GLY 26 N -1.04 1.42 3.34 0.00 0.00 -1.21 -3.85 105.19 103.84 2kks n GLY 26 Ca -0.03 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.09 2kks n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kks s LEU 27 N 0.00 2.40 -0.10 0.99 1.43 -0.31 -3.58 118.68 119.51 2kks s LEU 27 Ca 0.00 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.32 2kks s LEU 27 Cb 0.00 -0.92 -0.00 0.00 0.03 0.00 0.00 46.19 45.30 2kks s LEU 27 CO 0.00 0.02 -0.23 -0.76 0.23 0.00 0.00 176.35 175.62 2kks s LEU 28 N -2.48 2.17 0.28 1.79 1.43 -0.09 -0.92 118.68 120.86 2kks s LEU 28 Ca 0.15 -0.52 0.09 0.00 -1.03 0.00 0.00 54.13 52.82 2kks s LEU 28 Cb -0.07 -1.43 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 2kks s LEU 28 CO 0.07 0.18 -0.13 -0.83 0.23 0.00 0.00 176.35 175.86 2kks s GLY 29 N 0.24 1.83 0.00 -3.19 0.00 -0.41 -2.27 107.32 103.53 2kks s GLY 29 Ca -0.15 -1.88 0.00 0.00 0.00 0.00 0.00 44.72 42.69 2kks s GLY 29 CO 0.08 -1.91 0.00 0.61 0.00 0.00 0.00 173.10 171.88 2kks n GLY 30 N -0.59 -0.46 3.05 0.20 0.00 -1.19 -1.76 105.19 104.44 2kks n GLY 30 Ca -0.06 -0.84 -0.14 0.00 0.00 0.00 0.00 46.02 44.98 2kks n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kks s ARG 31 N -2.00 0.53 -0.16 1.61 0.52 -1.21 -1.29 118.95 116.96 2kks s ARG 31 Ca 0.00 -0.67 0.02 0.00 -0.52 0.00 0.00 55.73 54.56 2kks s ARG 31 Cb 0.00 -0.35 0.01 0.00 0.52 0.00 0.00 34.95 35.13 2kks s ARG 31 CO 0.00 0.07 -0.20 -0.98 0.02 0.00 0.00 175.30 174.21 2kks s ARG 32 N -1.32 3.04 -0.21 3.54 1.04 -1.26 -1.38 118.95 122.40 2kks s ARG 32 Ca -0.07 -0.83 0.14 0.00 -1.04 0.00 0.00 55.73 53.92 2kks s ARG 32 Cb -0.09 -2.51 0.45 0.00 -2.04 0.00 0.00 34.95 30.76 2kks s ARG 32 CO 0.00 -0.09 1.18 -3.47 -0.04 0.00 0.00 175.30 172.89 2kks n ASP 33 N 4.28 2.71 0.00 -2.89 2.03 -0.68 -4.90 116.55 117.10 2kks n ASP 33 Ca -0.20 -3.27 0.00 0.00 0.52 0.00 0.00 54.79 51.84 2kks n ASP 33 Cb 0.51 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.49 2kks n ASP 33 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kks n GLY 34 N -0.65 0.44 4.16 0.27 0.00 -1.26 -4.68 105.19 103.48 2kks n GLY 34 Ca 0.24 -0.80 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2kks n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kks n ASP 35 N 0.00 0.00 -4.73 1.61 2.03 -1.26 -4.96 116.55 109.24 2kks n ASP 35 Ca 0.00 0.00 -0.41 0.00 0.52 0.00 0.00 54.79 54.90 2kks n ASP 35 Cb 0.00 -0.13 -0.03 0.00 -0.72 0.00 0.00 41.12 40.24 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kks s ASP 36 N -1.19 7.16 -0.18 1.67 1.11 -1.26 -2.15 116.67 121.83 2kks s ASP 36 Ca 0.00 2.10 -0.01 0.00 0.18 0.00 0.00 52.55 54.81 2kks s ASP 36 Cb 0.00 -2.60 0.05 0.00 1.07 0.00 0.00 42.92 41.44 2kks s ASP 36 CO 0.00 -0.34 -0.01 -0.60 1.18 0.00 0.00 175.17 175.39 2kks s ARG 37 N 0.16 1.07 0.04 8.23 3.00 -0.50 -1.68 118.95 129.27 2kks s ARG 37 Ca 0.53 -0.48 0.03 0.00 -1.00 0.00 0.00 55.73 54.81 2kks s ARG 37 Cb -0.30 -2.02 -0.04 0.00 0.00 0.00 0.00 34.95 32.59 2kks s ARG 37 CO 0.33 -0.52 0.01 -1.58 0.00 0.00 0.00 175.30 173.54 2kks s TRP 38 N 1.72 3.06 -0.79 5.12 0.51 -0.48 -1.19 118.94 126.89 2kks s TRP 38 Ca -0.00 0.04 -0.08 0.00 -2.12 0.00 0.00 56.10 53.94 2kks s TRP 38 Cb -0.16 -1.61 0.20 0.00 -0.81 0.00 0.00 33.47 31.09 2kks s TRP 38 CO -0.07 0.47 0.68 0.08 -0.51 0.00 0.00 176.95 177.60 2kks s VAL 39 N -1.20 4.78 -0.31 4.03 1.01 0.11 -3.28 120.40 125.53 2kks s VAL 39 Ca 0.23 -2.93 0.21 0.00 0.00 0.00 0.00 61.98 59.49 2kks s VAL 39 Cb -0.12 -3.99 0.18 0.00 0.00 0.00 0.00 36.38 32.45 2kks s VAL 39 CO 0.15 -1.00 1.41 -0.33 0.00 0.00 0.00 175.10 175.33 2kks h GLU 40 N 7.16 0.00 -2.85 2.72 5.08 -1.64 -3.43 114.58 121.62 2kks h GLU 40 Ca 0.08 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.33 2kks h GLU 40 Cb 0.96 0.00 -0.21 0.00 0.50 0.00 0.00 28.75 30.01 2kks h GLU 40 CO 0.77 0.14 -0.21 1.03 -1.00 0.00 0.00 179.01 179.74 2kks s ARG 41 N -3.16 0.69 -0.11 2.33 1.81 -1.07 -4.99 118.95 114.45 2kks s ARG 41 Ca 0.04 -0.01 0.03 0.00 -1.72 0.00 0.00 55.73 54.07 2kks s ARG 41 Cb 0.07 0.31 -0.00 0.00 -0.45 0.00 0.00 34.95 34.88 2kks s ARG 41 CO 0.72 -0.18 -0.21 0.08 -0.68 0.00 0.00 175.30 175.03 2kks s VAL 42 N -1.05 2.34 -0.55 3.52 1.01 -1.26 -1.29 120.40 123.11 2kks s VAL 42 Ca -0.11 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 60.99 2kks s VAL 42 Cb -0.04 -1.92 0.14 0.00 0.00 0.00 0.00 36.38 34.56 2kks s VAL 42 CO 0.04 0.55 0.30 -0.31 0.00 0.00 0.00 175.10 175.69 2kks s TYR 43 N 0.35 3.21 -0.59 5.22 2.02 -0.10 -5.01 117.35 122.45 2kks s TYR 43 Ca -0.17 -3.18 -0.26 0.00 -0.37 0.00 0.00 57.07 53.09 2kks s TYR 43 Cb -0.17 -2.76 -0.04 0.00 -0.40 0.00 0.00 41.96 38.58 2kks s TYR 43 CO 0.08 -0.71 2.07 -2.14 -1.57 0.00 0.00 175.55 173.28 2kks s PRO 44 N -0.49 2.41 0.69 -1.71 0.02 -1.26 -1.17 135.00 133.49 2kks s PRO 44 Ca 0.19 0.82 -0.02 0.00 0.02 0.00 0.00 61.00 62.00 2kks s PRO 44 Cb -0.22 -4.50 0.10 0.00 0.02 0.00 0.00 34.50 29.89 2kks s PRO 44 CO -0.03 -3.01 0.96 -0.51 -0.33 0.00 0.00 177.00 174.08 2kks s LEU 45 N 10.38 3.01 0.22 -5.54 1.43 -1.25 -4.99 118.68 121.92 2kks s LEU 45 Ca 0.78 -0.09 -0.26 0.00 -1.03 0.00 0.00 54.13 53.53 2kks s LEU 45 Cb -0.14 -2.42 -0.09 0.00 0.03 0.00 0.00 46.19 43.57 2kks s LEU 45 CO 0.21 -1.70 0.84 0.21 0.23 0.00 0.00 176.35 176.14 2kks s ASN 46 N -4.63 7.41 -0.12 2.29 2.47 -1.26 -4.73 114.94 116.37 2kks s ASN 46 Ca 0.63 1.73 0.03 0.00 0.42 0.00 0.00 52.86 55.67 2kks s ASN 46 Cb -0.07 -2.53 0.01 0.00 -1.45 0.00 0.00 41.25 37.20 2kks s ASN 46 CO 0.43 0.13 -0.22 0.21 -3.72 0.00 0.00 177.10 173.93 2kks s ASN 47 N -1.29 3.06 0.20 -4.21 2.47 -1.26 -4.05 114.94 109.87 2kks s ASN 47 Ca 0.40 -0.58 0.06 0.00 0.42 0.00 0.00 52.86 53.17 2kks s ASN 47 Cb -0.22 -1.41 0.11 0.00 -1.45 0.00 0.00 41.25 38.27 2kks s ASN 47 CO 0.27 0.11 1.46 -0.07 -3.72 0.00 0.00 177.10 175.14 2kks h LEU 48 N 7.11 0.12 -9.57 3.21 3.38 -0.63 -3.44 115.31 115.49 2kks h LEU 48 Ca -0.28 -0.09 -0.53 0.00 0.09 0.00 0.00 57.88 57.08 2kks h LEU 48 Cb 1.21 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.93 2kks h LEU 48 CO 0.52 0.85 0.53 -1.81 0.09 0.00 0.00 178.44 178.62 2kks s ASP 49 N -6.85 7.15 -0.70 -0.43 1.01 -1.25 -4.92 116.67 110.67 2kks s ASP 49 Ca -0.02 2.07 -0.02 0.00 0.71 0.00 0.00 52.55 55.29 2kks s ASP 49 Cb 0.11 -2.59 0.43 0.00 1.01 0.00 0.00 42.92 41.88 2kks s ASP 49 CO 0.80 -0.37 2.04 0.00 0.21 0.00 0.00 175.17 177.85 2kks n GLN 50 N 3.18 2.69 -4.63 8.23 6.02 -1.26 -4.87 117.38 126.74 2kks n GLN 50 Ca 0.06 -3.31 -0.31 0.00 -0.01 0.00 0.00 57.00 53.44 2kks n GLN 50 Cb 0.46 -2.28 -0.12 0.00 1.02 0.00 0.00 30.24 29.32 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kks s SER 51 N -1.65 3.89 0.21 1.08 0.01 -1.26 -4.91 113.70 111.07 2kks s SER 51 Ca 0.62 -0.40 0.05 0.00 1.31 0.00 0.00 55.95 57.53 2kks s SER 51 Cb 0.49 -0.66 0.15 0.00 0.21 0.00 0.00 66.02 66.22 2kks s SER 51 CO -0.09 0.26 1.49 1.55 0.41 0.00 0.00 173.24 176.86 2kks h PRO 52 N 4.52 0.16 -0.01 12.44 0.13 -1.89 -3.20 132.00 144.15 2kks h PRO 52 Ca -0.48 -0.13 0.00 0.00 -0.87 0.00 0.00 66.00 64.52 2kks h PRO 52 Cb 1.16 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kks h PRO 52 CO 0.48 0.81 -0.03 0.39 -0.23 0.00 0.00 178.00 179.42 2kks n GLU 53 N -3.75 0.56 -4.86 0.86 -0.58 -1.26 -3.60 120.64 108.01 2kks n GLU 53 Ca -0.02 -0.78 -0.31 0.00 -0.42 0.00 0.00 57.16 55.63 2kks n GLU 53 Cb 0.70 -1.08 -0.14 0.00 -0.57 0.00 0.00 31.44 30.35 2kks n GLU 53 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 2kks s HIS 54 N -0.68 2.44 0.05 -0.32 3.76 -1.25 -5.01 115.29 114.29 2kks s HIS 54 Ca 0.07 -0.33 0.03 0.00 -0.15 0.00 0.00 55.06 54.68 2kks s HIS 54 Cb 0.05 -1.45 -0.03 0.00 1.11 0.00 0.00 32.58 32.27 2kks s HIS 54 CO 0.10 0.16 -0.11 -0.59 -0.85 0.00 0.00 174.74 173.46 2kks s PHE 55 N -0.82 0.90 -0.25 1.40 -0.71 -1.26 -4.30 117.98 112.94 2kks s PHE 55 Ca 0.13 -0.46 -0.07 0.00 -1.04 0.00 0.00 56.93 55.48 2kks s PHE 55 Cb -0.10 -0.53 0.12 0.00 -1.21 0.00 0.00 43.02 41.30 2kks s PHE 55 CO 0.03 -0.02 0.51 -1.12 -1.34 0.00 0.00 175.22 173.28 2kks s SER 56 N -1.56 -0.61 0.04 1.98 0.01 -1.26 -4.91 113.70 107.38 2kks s SER 56 Ca -0.06 1.12 0.06 0.00 1.31 0.00 0.00 55.95 58.38 2kks s SER 56 Cb -0.10 1.73 -0.03 0.00 0.21 0.00 0.00 66.02 67.83 2kks s SER 56 CO 0.01 -0.24 -0.15 0.00 0.41 0.00 0.00 173.24 173.27 2kks s MET 57 N 2.73 2.16 0.16 12.44 0.23 -1.26 0.19 119.30 135.95 2kks s MET 57 Ca 0.00 -0.94 -0.20 0.00 -1.03 0.00 0.00 55.69 53.52 2kks s MET 57 Cb -0.13 -2.26 -0.08 0.00 -1.53 0.00 0.00 34.83 30.84 2kks s MET 57 CO -0.16 0.55 0.67 0.34 -2.03 0.00 0.00 175.02 174.39 2kks s ASP 58 N -1.54 7.11 0.44 -1.18 2.15 -1.26 -4.97 116.67 117.42 2kks s ASP 58 Ca 0.16 1.39 0.21 0.00 0.43 0.00 0.00 52.55 54.73 2kks s ASP 58 Cb -0.11 -2.41 0.99 0.00 -0.30 0.00 0.00 42.92 41.10 2kks s ASP 58 CO 0.07 0.15 1.89 1.55 -0.17 0.00 0.00 175.17 178.65 2kks h PRO 59 N 3.94 0.00 -0.01 4.34 0.13 -1.99 -2.48 132.00 135.93 2kks h PRO 59 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.47 2kks h PRO 59 Cb 1.20 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kks h PRO 59 CO 0.65 0.26 -0.80 0.00 -0.23 0.00 0.00 178.00 177.88 2kks h ARG 60 N 0.00 0.19 -0.35 0.86 2.47 -1.98 0.23 114.38 115.80 2kks h ARG 60 Ca -0.00 -0.19 -0.02 0.00 -1.26 0.00 0.00 59.98 58.52 2kks h ARG 60 Cb 0.62 0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.97 2kks h ARG 60 CO 0.03 0.89 0.15 0.93 0.56 0.00 0.00 179.97 182.54 2kks h GLU 61 N 0.12 0.51 -0.15 0.04 4.39 -1.89 -1.92 114.58 115.68 2kks h GLU 61 Ca -0.03 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2kks h GLU 61 Cb 1.40 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 2kks h GLU 61 CO 0.12 0.49 0.01 1.96 -1.16 0.00 0.00 179.01 180.43 2kks h GLN 62 N 0.42 0.06 -0.98 2.33 4.20 -1.16 -2.46 115.11 117.53 2kks h GLN 62 Ca 0.12 -0.00 0.08 0.00 0.06 0.00 0.00 58.65 58.90 2kks h GLN 62 Cb 0.16 -0.01 -0.07 0.00 0.30 0.00 0.00 27.48 27.85 2kks h GLN 62 CO -0.01 0.04 0.63 1.25 -0.67 0.00 0.00 178.83 180.07 2kks h LEU 63 N 0.06 0.98 -0.37 1.46 5.85 -0.42 0.25 115.31 123.13 2kks h LEU 63 Ca 0.07 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.79 2kks h LEU 63 Cb 0.07 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.90 2kks h LEU 63 CO -0.11 0.61 0.18 0.74 -0.34 0.00 0.00 178.44 179.52 2kks h THR 64 N 1.11 1.17 -0.22 1.05 2.02 -1.07 0.55 112.91 117.51 2kks h THR 64 Ca 0.44 -0.47 -0.07 0.00 0.77 0.00 0.00 66.41 67.08 2kks h THR 64 Cb 0.24 0.80 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 2kks h THR 64 CO -0.19 0.18 -0.13 0.00 0.37 0.00 0.00 175.52 175.74 2kks h ALA 65 N 1.03 0.32 -0.68 6.16 0.00 -0.80 -2.55 119.26 122.73 2kks h ALA 65 Ca 0.13 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2kks h ALA 65 Cb 0.11 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 2kks h ALA 65 CO -0.02 0.19 0.22 0.28 0.00 0.00 0.00 179.25 179.92 2kks h VAL 66 N 0.19 1.25 -0.24 0.00 2.07 -0.48 0.79 116.25 119.82 2kks h VAL 66 Ca 0.05 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.73 2kks h VAL 66 Cb 0.64 0.48 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 2kks h VAL 66 CO 0.04 0.33 0.16 0.50 0.02 0.00 0.00 177.57 178.61 2kks h LYS 67 N 1.01 0.33 -0.44 1.57 3.64 -0.83 -0.39 116.57 121.46 2kks h LYS 67 Ca 0.22 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.46 2kks h LYS 67 Cb 0.27 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2kks h LYS 67 CO -0.01 0.24 -0.21 0.22 -2.27 0.00 0.00 179.45 177.42 2kks h ASP 68 N 0.32 0.90 0.11 4.20 3.58 -1.20 -1.66 116.42 122.67 2kks h ASP 68 Ca 0.09 -0.33 -0.01 0.00 0.42 0.00 0.00 57.03 57.21 2kks h ASP 68 Cb -0.01 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 40.79 2kks h ASP 68 CO -0.02 1.08 -0.05 -0.03 -2.88 0.00 0.00 179.24 177.34 2kks h MET 69 N 0.77 -0.14 0.00 0.28 4.05 -0.50 -2.75 114.93 116.64 2kks h MET 69 Ca 0.11 0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.46 2kks h MET 69 Cb 0.75 0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.57 2kks h MET 69 CO 0.06 -0.04 -0.35 0.00 0.23 0.00 0.00 176.91 176.81 2kks h ARG 70 N -0.19 0.00 -0.82 0.39 3.08 -1.06 0.26 114.38 116.04 2kks h ARG 70 Ca -0.01 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.00 2kks h ARG 70 Cb 0.16 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.17 2kks h ARG 70 CO 0.02 0.35 0.37 -0.22 -1.07 0.00 0.00 179.97 179.41 2kks h LYS 71 N 0.00 1.19 0.00 0.04 3.64 -1.09 -2.87 116.57 117.48 2kks h LYS 71 Ca -0.00 -0.19 -0.01 0.00 -1.27 0.00 0.00 60.65 59.18 2kks h LYS 71 Cb 1.04 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 32.65 2kks h LYS 71 CO 0.04 0.94 -0.86 -0.97 -2.27 0.00 0.00 179.45 176.33 2kks h ASN 72 N 1.17 0.00 0.00 4.20 -1.24 -1.33 -3.48 115.58 114.90 2kks h ASN 72 Ca 0.28 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.29 2kks h ASN 72 Cb 0.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.21 2kks h ASN 72 CO -0.03 0.03 0.00 0.61 -1.29 0.00 0.00 177.43 176.75 2kks n GLY 73 N 1.18 1.21 3.91 1.57 0.00 -0.92 -5.11 105.19 107.03 2kks n GLY 73 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2kks n GLY 73 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2kks s TRP 74 N -2.00 3.23 0.11 1.61 0.51 0.86 -4.95 118.94 118.29 2kks s TRP 74 Ca 0.00 0.76 0.06 0.00 -2.12 0.00 0.00 56.10 54.80 2kks s TRP 74 Cb 0.00 -2.93 -0.03 0.00 -0.81 0.00 0.00 33.47 29.70 2kks s TRP 74 CO 0.00 -1.04 -0.16 0.14 -0.51 0.00 0.00 176.95 175.38 2kks s VAL 75 N -3.16 1.41 -0.47 4.03 -7.23 -0.41 -3.70 120.40 110.86 2kks s VAL 75 Ca 0.56 -1.58 -0.28 0.00 -1.81 0.00 0.00 61.98 58.88 2kks s VAL 75 Cb -0.11 -1.44 -0.01 0.00 0.56 0.00 0.00 36.38 35.39 2kks s VAL 75 CO 0.47 -0.27 1.66 -0.32 -0.31 0.00 0.00 175.10 176.33 2kks s MET 76 N -2.23 3.18 0.00 4.82 1.75 -1.26 -3.16 119.30 122.40 2kks s MET 76 Ca 0.06 0.90 0.26 0.00 -1.25 0.00 0.00 55.69 55.65 2kks s MET 76 Cb -0.08 -4.20 0.53 0.00 2.84 0.00 0.00 34.83 33.93 2kks s MET 76 CO 0.03 -2.06 1.45 1.28 -0.65 0.00 0.00 175.02 175.08 2kks n LEU 77 N 10.52 2.31 0.00 4.11 4.77 -0.96 -4.99 117.00 132.75 2kks n LEU 77 Ca 0.19 -0.77 0.00 0.00 -0.03 0.00 0.00 56.01 55.39 2kks n LEU 77 Cb 0.49 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2kks n LEU 77 CO 0.70 0.39 0.00 0.61 -1.33 0.00 0.00 177.39 177.76 2kks n GLY 78 N 1.29 0.74 3.45 -0.72 0.00 -1.22 -0.14 105.19 108.58 2kks n GLY 78 Ca 0.16 -1.71 -0.16 0.00 0.00 0.00 0.00 46.02 44.31 2kks n GLY 78 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kks s ASN 79 N -4.00 1.10 0.01 1.61 4.22 -0.86 -0.91 114.94 116.10 2kks s ASN 79 Ca 0.00 -1.55 0.04 0.00 -2.14 0.00 0.00 52.86 49.20 2kks s ASN 79 Cb 0.00 0.65 -0.01 0.00 1.28 0.00 0.00 41.25 43.17 2kks s ASN 79 CO 0.00 -1.26 -0.12 0.72 -2.04 0.00 0.00 177.10 174.40 2kks s PHE 80 N -3.09 1.07 -0.06 1.54 -0.71 -1.24 -1.89 117.98 113.61 2kks s PHE 80 Ca 0.33 -0.25 -0.02 0.00 -1.04 0.00 0.00 56.93 55.94 2kks s PHE 80 Cb 0.00 -0.67 0.04 0.00 -1.21 0.00 0.00 43.02 41.18 2kks s PHE 80 CO 0.22 -0.00 0.12 -1.58 -1.34 0.00 0.00 175.22 172.63 2kks s HIS 81 N -0.48 -0.11 0.21 3.49 2.46 0.29 -3.28 115.29 117.87 2kks s HIS 81 Ca 0.03 0.41 0.09 0.00 0.47 0.00 0.00 55.06 56.07 2kks s HIS 81 Cb -0.06 -0.16 -0.04 0.00 -0.13 0.00 0.00 32.58 32.19 2kks s HIS 81 CO 0.00 -0.17 -0.06 0.45 -2.47 0.00 0.00 174.74 172.49 2kks s SER 82 N 1.36 4.35 -0.04 9.88 0.15 -1.01 -1.68 113.70 126.72 2kks s SER 82 Ca -0.07 -0.61 0.03 0.00 0.70 0.00 0.00 55.95 56.00 2kks s SER 82 Cb -0.12 -0.76 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 2kks s SER 82 CO -0.05 0.06 -0.11 -1.00 1.20 0.00 0.00 173.24 173.34 2kks s HIS 83 N -1.97 2.79 -0.15 3.44 3.76 0.10 -4.55 115.29 118.71 2kks s HIS 83 Ca 0.28 -0.09 -0.13 0.00 -0.15 0.00 0.00 55.06 54.97 2kks s HIS 83 Cb -0.08 -1.64 -0.09 0.00 1.11 0.00 0.00 32.58 31.88 2kks s HIS 83 CO 0.17 0.26 0.04 -1.00 -0.85 0.00 0.00 174.74 173.36 2kks h PRO 84 N 5.15 0.00 -0.26 8.40 0.14 -1.81 0.25 132.00 143.87 2kks h PRO 84 Ca -0.48 0.00 -0.05 0.00 0.14 0.00 0.00 66.00 65.61 2kks h PRO 84 Cb 1.16 0.00 -0.03 0.00 0.14 0.00 0.00 31.00 32.27 2kks h PRO 84 CO 0.51 0.36 -0.02 0.00 0.14 0.00 0.00 178.00 178.99 2kks n ALA 85 N -3.34 3.28 -2.41 -0.56 0.00 -1.26 -3.01 120.51 113.21 2kks n ALA 85 Ca -0.13 -2.58 -0.12 0.00 0.00 0.00 0.00 53.44 50.61 2kks n ALA 85 Cb 0.35 -0.69 -0.11 0.00 0.00 0.00 0.00 19.45 19.01 2kks n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kks s THR 86 N -2.95 0.72 0.59 0.00 -4.23 -1.26 -4.97 115.64 103.53 2kks s THR 86 Ca 0.42 -1.67 -0.10 0.00 -1.18 0.00 0.00 61.69 59.16 2kks s THR 86 Cb 0.35 -1.35 0.14 0.00 1.34 0.00 0.00 72.50 72.98 2kks s THR 86 CO 0.06 -0.68 0.69 -0.81 -0.54 0.00 0.00 174.62 173.33 2kks n PRO 87 N 0.45 -1.23 -1.52 3.99 -0.04 -1.26 -4.11 135.00 131.27 2kks n PRO 87 Ca -0.16 -1.08 -0.27 0.00 -0.04 0.00 0.00 63.50 61.96 2kks n PRO 87 Cb 0.59 -0.81 0.20 0.00 -0.04 0.00 0.00 33.50 33.43 2kks n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kks n ALA 88 N -3.67 -1.82 -0.74 0.55 0.00 -1.26 -4.73 120.51 108.84 2kks n ALA 88 Ca -0.12 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.78 2kks n ALA 88 Cb 0.32 -0.09 0.00 0.00 0.00 0.00 0.00 19.45 19.69 2kks n ALA 88 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2kks n ARG 89 N -3.80 -2.08 -2.35 0.00 0.63 -1.26 -4.92 116.66 102.88 2kks n ARG 89 Ca 0.15 1.56 -0.40 0.00 -0.92 0.00 0.00 57.85 58.23 2kks n ARG 89 Cb 0.53 -1.80 -0.04 0.00 0.45 0.00 0.00 32.46 31.60 2kks n ARG 89 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2kks s PRO 90 N -4.89 4.54 0.28 -0.14 0.04 -1.26 -5.06 135.00 128.52 2kks s PRO 90 Ca 0.00 1.94 -0.05 0.00 0.04 0.00 0.00 61.00 62.94 2kks s PRO 90 Cb 0.00 -3.15 0.06 0.00 0.04 0.00 0.00 34.50 31.45 2kks s PRO 90 CO 0.00 0.07 0.38 -1.13 0.04 0.00 0.00 177.00 176.35 2kks n SER 91 N 1.12 -0.03 -0.15 6.66 3.41 -1.26 -4.68 113.62 118.69 2kks n SER 91 Ca -0.01 -1.12 -0.05 0.00 -0.26 0.00 0.00 58.87 57.44 2kks n SER 91 Cb 0.44 -0.29 0.04 0.00 -0.26 0.00 0.00 64.21 64.14 2kks n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kks h ALA 92 N -1.95 0.58 -0.17 7.33 0.00 -1.99 0.12 119.26 123.19 2kks h ALA 92 Ca -0.12 0.02 -0.22 0.00 0.00 0.00 0.00 54.91 54.60 2kks h ALA 92 Cb 0.34 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.08 2kks h ALA 92 CO 0.09 -0.13 -0.75 0.93 0.00 0.00 0.00 179.25 179.39 2kks h GLU 93 N 0.44 0.78 -0.84 0.00 5.08 -1.99 -2.83 114.58 115.23 2kks h GLU 93 Ca 0.20 -0.61 0.04 0.00 -1.00 0.00 0.00 59.36 57.99 2kks h GLU 93 Cb 0.13 0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.45 2kks h GLU 93 CO -0.15 1.23 0.55 -0.44 -1.00 0.00 0.00 179.01 179.19 2kks h ASP 94 N 0.54 0.89 0.46 1.42 3.32 -1.81 -1.45 116.42 119.79 2kks h ASP 94 Ca -0.04 -0.01 -0.11 0.00 0.02 0.00 0.00 57.03 56.88 2kks h ASP 94 Cb 1.37 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.70 2kks h ASP 94 CO 0.15 0.60 -0.52 0.50 -1.72 0.00 0.00 179.24 178.26 2kks h LYS 95 N 1.03 0.07 0.00 3.56 3.64 -0.92 -2.14 116.57 121.80 2kks h LYS 95 Ca 0.34 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.68 2kks h LYS 95 Cb 0.05 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 2kks h LYS 95 CO -0.10 0.57 0.00 0.00 -2.27 0.00 0.00 179.45 177.65 2kks h ARG 96 N 0.05 0.00 -0.00 1.90 3.08 -1.04 -2.75 114.38 115.62 2kks h ARG 96 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2kks h ARG 96 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2kks h ARG 96 CO 0.07 0.00 -0.08 1.28 -1.07 0.00 0.00 179.97 180.17 2kks n LEU 97 N -2.80 0.11 -4.45 3.04 4.77 -0.73 -4.53 117.00 112.40 2kks n LEU 97 Ca 0.03 0.36 -0.44 0.00 -0.03 0.00 0.00 56.01 55.93 2kks n LEU 97 Cb 0.39 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.04 2kks n LEU 97 CO 0.29 0.03 0.91 0.00 -1.33 0.00 0.00 177.39 177.28 2kks s ALA 98 N -2.90 3.28 -0.14 -1.18 0.00 -1.04 -4.84 121.76 114.94 2kks s ALA 98 Ca 0.17 -2.48 0.16 0.00 0.00 0.00 0.00 51.96 49.81 2kks s ALA 98 Cb 0.19 -3.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.29 2kks s ALA 98 CO 0.54 -2.92 1.16 0.74 0.00 0.00 0.00 175.76 175.29 2kks h PHE 99 N 9.08 0.00 -3.34 0.00 0.04 -1.86 -3.41 116.94 117.45 2kks h PHE 99 Ca 0.02 0.00 -0.64 0.00 2.80 0.00 0.00 57.97 60.15 2kks h PHE 99 Cb 1.04 0.00 -0.41 0.00 2.20 0.00 0.00 35.95 38.78 2kks h PHE 99 CO 1.10 0.52 -0.64 0.34 -0.60 0.00 0.00 178.31 179.03 2kks s ASP 100 N -6.13 4.26 0.00 2.17 2.15 -1.26 -4.96 116.67 112.90 2kks s ASP 100 Ca 0.01 -3.01 0.02 0.00 0.43 0.00 0.00 52.55 50.00 2kks s ASP 100 Cb 0.08 -1.58 0.12 0.00 -0.30 0.00 0.00 42.92 41.24 2kks s ASP 100 CO 0.78 -0.23 0.81 -0.81 -0.17 0.00 0.00 175.17 175.54 2kks n PRO 101 N 3.11 0.04 0.00 4.34 -0.04 -1.26 -1.87 135.00 139.32 2kks n PRO 101 Ca 0.06 0.19 0.13 0.00 -0.04 0.00 0.00 63.50 63.84 2kks n PRO 101 Cb 0.32 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.65 2kks n PRO 101 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2kks n SER 102 N -1.20 1.24 -4.98 3.54 3.41 -1.26 -4.53 113.62 109.83 2kks n SER 102 Ca 0.01 -1.08 -0.20 0.00 -0.26 0.00 0.00 58.87 57.34 2kks n SER 102 Cb 0.01 0.13 0.01 0.00 -0.26 0.00 0.00 64.21 64.11 2kks n SER 102 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kks s LEU 103 N -2.39 3.75 -0.34 1.04 1.43 -0.78 -5.00 118.68 116.39 2kks s LEU 103 Ca 0.27 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 53.14 2kks s LEU 103 Cb 0.19 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.53 2kks s LEU 103 CO 0.48 -0.65 0.46 -0.44 0.23 0.00 0.00 176.35 176.44 2kks s SER 104 N -4.24 6.28 -0.49 2.29 0.01 0.80 -4.58 113.70 113.77 2kks s SER 104 Ca 0.49 -0.03 -0.13 0.00 1.31 0.00 0.00 55.95 57.59 2kks s SER 104 Cb -0.10 -2.25 0.11 0.00 0.21 0.00 0.00 66.02 63.99 2kks s SER 104 CO 0.34 -0.41 0.41 -0.31 0.41 0.00 0.00 173.24 173.68 2kks s TYR 105 N 2.26 3.30 -0.15 2.43 1.51 -0.51 -2.03 117.35 124.17 2kks s TYR 105 Ca 0.17 -1.36 -0.23 0.00 -1.01 0.00 0.00 57.07 54.64 2kks s TYR 105 Cb -0.16 -3.47 -0.03 0.00 -0.11 0.00 0.00 41.96 38.20 2kks s TYR 105 CO 0.12 -0.94 0.70 -0.51 -1.11 0.00 0.00 175.55 173.81 2kks s LEU 106 N 1.54 4.21 -0.20 -1.29 1.02 -0.79 -0.60 118.68 122.57 2kks s LEU 106 Ca 0.04 1.03 -0.03 0.00 0.02 0.00 0.00 54.13 55.18 2kks s LEU 106 Cb -0.27 -3.03 -0.01 0.00 0.02 0.00 0.00 46.19 42.90 2kks s LEU 106 CO 0.03 -0.24 -0.06 -0.63 0.02 0.00 0.00 176.35 175.47 2kks s ILE 107 N 1.57 3.34 -0.11 -0.59 -1.09 -0.22 -0.55 121.20 123.56 2kks s ILE 107 Ca 0.34 -0.52 -0.04 0.00 -2.23 0.00 0.00 60.65 58.20 2kks s ILE 107 Cb -0.17 -2.50 -0.04 0.00 -1.58 0.00 0.00 42.46 38.18 2kks s ILE 107 CO 0.13 0.45 0.04 -0.63 -1.23 0.00 0.00 174.94 173.70 2kks s ILE 108 N 1.18 4.65 -0.41 2.92 1.01 -0.67 -2.28 121.20 127.59 2kks s ILE 108 Ca 0.02 -0.11 -0.08 0.00 0.00 0.00 0.00 60.65 60.47 2kks s ILE 108 Cb -0.14 -2.99 0.08 0.00 0.01 0.00 0.00 42.46 39.42 2kks s ILE 108 CO -0.01 0.59 0.24 -0.55 0.00 0.00 0.00 174.94 175.21 2kks s SER 109 N -0.74 5.56 0.00 3.58 0.15 0.35 -0.72 113.70 121.88 2kks s SER 109 Ca 0.12 -1.56 0.18 0.00 0.70 0.00 0.00 55.95 55.39 2kks s SER 109 Cb -0.12 -1.96 0.64 0.00 -1.71 0.00 0.00 66.02 62.87 2kks s SER 109 CO 0.02 -0.53 1.48 -0.11 1.20 0.00 0.00 173.24 175.30 2kks n LEU 110 N 4.87 1.76 0.29 3.45 -0.00 0.08 -2.96 117.00 124.49 2kks n LEU 110 Ca -0.09 -0.78 0.16 0.00 -0.00 0.00 0.00 56.01 55.30 2kks n LEU 110 Cb 0.43 -0.14 0.94 0.00 -0.00 0.00 0.00 43.42 44.64 2kks n LEU 110 CO 0.38 0.39 1.14 0.00 -0.00 0.00 0.00 177.39 179.29 2kks h ALA 111 N 3.96 1.51 -3.13 1.96 0.00 -1.66 -3.23 119.26 118.67 2kks h ALA 111 Ca 0.00 -0.00 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2kks h ALA 111 Cb 0.49 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.88 2kks h ALA 111 CO 0.00 -0.04 -0.66 -2.00 0.00 0.00 0.00 179.25 176.55 2kks s GLU 112 N -4.58 1.91 0.00 0.00 2.56 -1.25 -4.96 118.70 112.37 2kks s GLU 112 Ca -0.05 -2.68 0.14 0.00 0.00 0.00 0.00 54.97 52.38 2kks s GLU 112 Cb 0.15 -3.01 0.68 0.00 2.00 0.00 0.00 34.13 33.96 2kks s GLU 112 CO 0.53 -1.19 1.38 -2.30 -0.56 0.00 0.00 175.26 173.11 2kks n PRO 113 N 2.83 0.17 -0.01 4.30 -0.02 -1.22 -1.85 135.00 139.19 2kks n PRO 113 Ca 0.12 0.17 -0.18 0.00 -2.02 0.00 0.00 63.50 61.59 2kks n PRO 113 Cb 0.35 -1.50 -0.08 0.00 -0.02 0.00 0.00 33.50 32.25 2kks n PRO 113 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kks h GLN 114 N 0.00 0.76 -1.60 -0.52 4.20 -1.92 -3.41 115.11 112.61 2kks h GLN 114 Ca 0.00 -0.65 -0.33 0.00 0.06 0.00 0.00 58.65 57.73 2kks h GLN 114 Cb 0.14 0.14 -0.26 0.00 0.30 0.00 0.00 27.48 27.81 2kks h GLN 114 CO 0.00 1.25 -0.69 0.15 -0.67 0.00 0.00 178.83 178.88 2kks s LYS 115 N -3.68 0.95 -0.18 1.46 1.02 -0.77 -5.12 119.74 113.42 2kks s LYS 115 Ca -0.10 -1.37 -0.29 0.00 0.02 0.00 0.00 55.97 54.23 2kks s LYS 115 Cb 0.08 -0.61 -0.05 0.00 -0.52 0.00 0.00 37.83 36.73 2kks s LYS 115 CO 0.90 -1.33 1.93 -2.14 -0.92 0.00 0.00 175.35 173.79 2kks s PRO 116 N 0.71 3.56 -0.10 -1.68 0.02 -0.84 -4.80 135.00 131.87 2kks s PRO 116 Ca 0.29 1.96 -0.30 0.00 0.02 0.00 0.00 61.00 62.97 2kks s PRO 116 Cb -0.01 -4.21 -0.04 0.00 0.02 0.00 0.00 34.50 30.27 2kks s PRO 116 CO -0.10 -1.59 1.44 0.08 -0.33 0.00 0.00 177.00 176.49 2kks s VAL 117 N 6.40 3.92 -0.20 3.83 1.01 -1.16 -4.78 120.40 129.42 2kks s VAL 117 Ca 0.86 1.14 -0.01 0.00 0.00 0.00 0.00 61.98 63.98 2kks s VAL 117 Cb -0.31 -3.74 0.01 0.00 0.00 0.00 0.00 36.38 32.34 2kks s VAL 117 CO 0.34 -0.09 -0.13 0.00 0.00 0.00 0.00 175.10 175.23 2kks s LYS 119 N 1.34 1.22 -0.23 0.00 -0.14 -0.96 -5.00 119.74 115.97 2kks s LYS 119 Ca 0.04 -1.54 -0.07 0.00 -1.36 0.00 0.00 55.97 53.05 2kks s LYS 119 Cb -0.14 -0.90 -0.03 0.00 -1.68 0.00 0.00 37.83 35.08 2kks s LYS 119 CO -0.09 0.13 0.06 0.45 -0.76 0.00 0.00 175.35 175.14 2kks s SER 120 N -3.26 5.18 -0.09 2.83 0.15 -1.26 -1.05 113.70 116.19 2kks s SER 120 Ca 0.20 -0.15 0.04 0.00 0.70 0.00 0.00 55.95 56.75 2kks s SER 120 Cb 0.01 -1.91 -0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2kks s SER 120 CO 0.04 0.03 -0.23 -0.36 1.20 0.00 0.00 173.24 173.91 2kks s PHE 121 N 1.25 2.56 -0.48 3.44 0.08 0.23 -0.70 117.98 124.36 2kks s PHE 121 Ca 0.04 -0.96 -0.20 0.00 0.12 0.00 0.00 56.93 55.94 2kks s PHE 121 Cb -0.15 -1.70 0.04 0.00 -0.57 0.00 0.00 43.02 40.65 2kks s PHE 121 CO 0.03 -0.37 0.62 -0.51 -0.10 0.00 0.00 175.22 174.89 2kks s LEU 122 N 0.25 4.80 -0.50 -0.37 1.43 0.22 -1.42 118.68 123.09 2kks s LEU 122 Ca -0.16 -0.72 -0.24 0.00 -1.03 0.00 0.00 54.13 51.98 2kks s LEU 122 Cb -0.17 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.56 2kks s LEU 122 CO 0.08 -0.84 0.88 -0.63 0.23 0.00 0.00 176.35 176.06 2kks s ILE 123 N 2.68 4.50 0.53 -0.59 -1.09 -1.26 -1.74 121.20 124.23 2kks s ILE 123 Ca 0.17 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 2kks s ILE 123 Cb -0.17 -4.44 0.04 0.00 -1.58 0.00 0.00 42.46 36.31 2kks s ILE 123 CO 0.14 -0.92 0.52 -0.54 -1.23 0.00 0.00 174.94 172.91 2kks s LYS 124 N 3.66 2.32 0.06 2.79 1.02 0.15 -4.14 119.74 125.59 2kks s LYS 124 Ca 0.31 -1.83 -0.27 0.00 0.02 0.00 0.00 55.97 54.20 2kks s LYS 124 Cb -0.12 -2.31 -0.17 0.00 -0.52 0.00 0.00 37.83 34.71 2kks s LYS 124 CO 0.22 -0.63 1.55 -0.22 -0.92 0.00 0.00 175.35 175.34 2kks h LYS 125 N 0.61 -0.42 0.00 1.68 3.64 -1.95 -3.35 116.57 116.79 2kks h LYS 125 Ca -0.35 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.06 2kks h LYS 125 Cb 1.29 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2kks h LYS 125 CO 0.52 -0.20 0.00 -0.25 -2.27 0.00 0.00 179.45 177.25 2kks n ASP 126 N -5.23 0.00 0.00 4.20 9.92 -1.26 -5.03 116.55 119.15 2kks n ASP 126 Ca -0.10 0.68 0.00 0.00 -0.53 0.00 0.00 54.79 54.84 2kks n ASP 126 Cb 0.22 -0.18 0.00 0.00 -0.64 0.00 0.00 41.12 40.52 2kks n ASP 126 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kks n GLY 127 N -0.66 4.84 3.06 0.44 0.00 -1.26 -5.16 105.19 106.45 2kks n GLY 127 Ca 0.00 -0.71 -0.29 0.00 0.00 0.00 0.00 46.02 45.02 2kks n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2kks s VAL 128 N 0.86 1.54 -0.14 1.61 1.01 -1.26 -0.68 120.40 123.34 2kks s VAL 128 Ca 0.00 -0.66 -0.03 0.00 0.00 0.00 0.00 61.98 61.30 2kks s VAL 128 Cb 0.00 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 2kks s VAL 128 CO 0.00 0.45 -0.05 -1.81 0.00 0.00 0.00 175.10 173.69 2kks s ASP 129 N 1.07 4.70 0.02 3.32 1.01 -0.71 -4.94 116.67 121.13 2kks s ASP 129 Ca -0.05 -0.13 -0.13 0.00 0.71 0.00 0.00 52.55 52.96 2kks s ASP 129 Cb -0.15 -1.67 -0.06 0.00 1.01 0.00 0.00 42.92 42.06 2kks s ASP 129 CO -0.03 0.20 0.40 -1.83 0.21 0.00 0.00 175.17 174.12 2kks s GLU 130 N 0.15 3.86 -0.14 8.23 -1.05 -1.26 0.71 118.70 129.20 2kks s GLU 130 Ca -0.02 0.33 -0.06 0.00 -0.15 0.00 0.00 54.97 55.07 2kks s GLU 130 Cb -0.14 -3.16 -0.04 0.00 -0.44 0.00 0.00 34.13 30.36 2kks s GLU 130 CO 0.03 0.66 0.08 -2.00 0.95 0.00 0.00 175.26 174.98 2kks s GLU 131 N -1.30 3.57 0.26 -4.83 2.56 0.12 -4.93 118.70 114.14 2kks s GLU 131 Ca 0.26 -0.27 -0.30 0.00 0.00 0.00 0.00 54.97 54.66 2kks s GLU 131 Cb -0.16 -3.12 -0.09 0.00 2.00 0.00 0.00 34.13 32.76 2kks s GLU 131 CO 0.14 0.56 1.11 -1.83 -0.56 0.00 0.00 175.26 174.68 2kks s GLU 132 N -0.42 4.61 -0.18 4.30 -1.05 -1.26 -4.12 118.70 120.57 2kks s GLU 132 Ca 0.10 1.81 -0.05 0.00 -0.15 0.00 0.00 54.97 56.69 2kks s GLU 132 Cb -0.12 -3.20 -0.03 0.00 -0.44 0.00 0.00 34.13 30.34 2kks s GLU 132 CO 0.02 0.16 -0.01 0.42 0.95 0.00 0.00 175.26 176.80 2kks s ILE 133 N -0.94 4.02 -0.14 1.83 1.01 -1.26 -0.98 121.20 124.74 2kks s ILE 133 Ca 0.46 -0.30 -0.03 0.00 0.00 0.00 0.00 60.65 60.77 2kks s ILE 133 Cb -0.32 -2.80 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 2kks s ILE 133 CO 0.40 0.45 -0.03 -0.63 0.00 0.00 0.00 174.94 175.14 2kks s ILE 134 N 0.70 3.98 0.30 2.92 1.09 0.03 -5.00 121.20 125.23 2kks s ILE 134 Ca -0.00 -0.33 0.07 0.00 -1.10 0.00 0.00 60.65 59.28 2kks s ILE 134 Cb -0.14 -2.73 -0.03 0.00 -1.06 0.00 0.00 42.46 38.50 2kks s ILE 134 CO 0.02 0.51 0.29 -0.76 -0.10 0.00 0.00 174.94 174.90 2kks s LEU 135 N 0.17 3.75 0.03 2.97 1.43 -1.25 -1.46 118.68 124.31 2kks s LEU 135 Ca -0.01 -0.35 -0.28 0.00 -1.03 0.00 0.00 54.13 52.46 2kks s LEU 135 Cb -0.14 -2.35 0.09 0.00 0.03 0.00 0.00 46.19 43.83 2kks s LEU 135 CO 0.03 -0.25 0.94 -0.75 0.23 0.00 0.00 176.35 176.55 2kks s LYS 136 N -3.97 0.88 0.23 1.70 2.20 -1.14 -4.94 119.74 114.70 2kks s LYS 136 Ca 0.38 -0.39 0.15 0.00 -0.36 0.00 0.00 55.97 55.76 2kks s LYS 136 Cb -0.07 0.36 0.01 0.00 -1.51 0.00 0.00 37.83 36.63 2kks s LYS 136 CO 0.27 -0.39 1.32 0.93 -0.36 0.00 0.00 175.35 177.11 2kks h GLU 137 N 2.00 0.00 0.00 4.03 3.07 -1.95 0.16 114.58 121.90 2kks h GLU 137 Ca -0.22 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.55 2kks h GLU 137 Cb 1.23 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.12 2kks h GLU 137 CO 0.29 0.48 -0.02 0.39 -1.40 0.00 0.00 179.01 178.74 2kks n GLU 138 N -3.16 0.29 -0.05 2.33 -0.58 -1.26 -4.65 120.64 113.55 2kks n GLU 138 Ca -0.00 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.75 2kks n GLU 138 Cb 0.76 0.99 0.00 0.00 -0.57 0.00 0.00 31.44 32.62 2kks n GLU 138 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 2kks n LEU 139 N 0.00 0.00 -4.88 -4.62 4.77 -1.26 -4.84 117.00 106.16 2kks n LEU 139 Ca -0.00 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.68 2kks n LEU 139 Cb 0.21 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.35 2kks n LEU 139 CO 0.11 -0.08 0.74 -1.61 -1.33 0.00 0.00 177.39 175.21 2kks s GLU 140 N 0.40 2.90 -0.20 3.23 0.41 -1.26 -4.65 118.70 119.53 2kks s GLU 140 Ca 0.00 0.45 -0.01 0.00 -0.41 0.00 0.00 54.97 55.00 2kks s GLU 140 Cb 0.00 -2.04 0.00 0.00 -1.78 0.00 0.00 34.13 30.31 2kks s GLU 140 CO 0.00 -0.99 0.02 0.72 -0.49 0.00 0.00 175.26 174.52 2kks n HIS 141 N -2.97 -2.78 -1.61 1.61 8.25 -1.26 -4.84 115.22 111.62 2kks n HIS 141 Ca 0.07 1.28 -0.39 0.00 -0.26 0.00 0.00 57.72 58.42 2kks n HIS 141 Cb 0.57 -3.22 -0.03 0.00 1.12 0.00 0.00 29.99 28.43 2kks n HIS 141 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kks s HIS 142 N -1.04 1.15 0.39 4.41 3.76 -1.26 -4.90 115.29 117.80 2kks s HIS 142 Ca -0.02 1.17 0.04 0.00 -0.15 0.00 0.00 55.06 56.10 2kks s HIS 142 Cb 0.00 -3.73 -0.06 0.00 1.11 0.00 0.00 32.58 29.90 2kks s HIS 142 CO 0.54 -3.04 0.05 -3.38 -0.85 0.00 0.00 174.74 168.05 2kks s HIS 143 N 10.64 2.10 0.14 1.40 -3.43 -1.26 -5.10 115.29 119.78 2kks s HIS 143 Ca 0.97 -0.91 -0.31 0.00 -0.80 0.00 0.00 55.06 54.00 2kks s HIS 143 Cb -0.22 -1.47 -0.10 0.00 -1.43 0.00 0.00 32.58 29.36 2kks s HIS 143 CO 0.29 0.13 1.58 -3.38 -2.00 0.00 0.00 174.74 171.37 2kks s HIS 144 N -3.04 2.92 -0.02 0.38 -3.43 -1.26 -4.96 115.29 105.88 2kks s HIS 144 Ca 0.30 0.57 -0.28 0.00 -0.80 0.00 0.00 55.06 54.85 2kks s HIS 144 Cb 0.07 -3.93 -0.03 0.00 -1.43 0.00 0.00 32.58 27.26 2kks s HIS 144 CO 0.14 -3.49 0.88 -1.58 -2.00 0.00 0.00 174.74 168.69 2kks s HIS 145 N 1.48 3.63 -1.03 0.38 2.46 -1.26 -5.24 115.29 115.70 2kks s HIS 145 Ca 0.71 1.54 0.08 0.00 0.47 0.00 0.00 55.06 57.86 2kks s HIS 145 Cb -0.43 -3.01 0.07 0.00 -0.13 0.00 0.00 32.58 29.08 2kks s HIS 145 CO 0.31 0.02 0.76 -2.39 -2.47 0.00 0.00 174.74 170.98