#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 5.42 -0.11 3.17 2.07 -1.19 -0.81 121.20 129.76 2kks s ILE 2 Ca 0.00 0.20 0.03 0.00 -1.41 0.00 0.00 60.65 59.47 2kks s ILE 2 Cb 0.00 -3.46 0.01 0.00 0.13 0.00 0.00 42.46 39.14 2kks s ILE 2 CO 0.00 0.47 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.42 2kks s THR 3 N 0.11 1.73 0.16 4.00 2.01 0.11 -0.80 115.64 122.97 2kks s THR 3 Ca 0.09 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.20 2kks s THR 3 Cb -0.11 -1.54 -0.01 0.00 0.01 0.00 0.00 72.50 70.85 2kks s THR 3 CO -0.01 0.49 0.30 -1.48 -0.69 0.00 0.00 174.62 173.23 2kks s LEU 4 N 0.73 0.91 0.46 4.42 0.05 -0.48 -1.34 118.68 123.43 2kks s LEU 4 Ca -0.11 -0.84 0.06 0.00 0.05 0.00 0.00 54.13 53.29 2kks s LEU 4 Cb -0.16 1.25 0.02 0.00 -2.05 0.00 0.00 46.19 45.25 2kks s LEU 4 CO 0.02 -0.90 0.64 0.42 -0.55 0.00 0.00 176.35 175.98 2kks s THR 5 N -3.96 2.87 0.25 5.48 -4.23 -1.26 -1.14 115.64 113.66 2kks s THR 5 Ca 0.16 -0.90 -0.03 0.00 -1.18 0.00 0.00 61.69 59.74 2kks s THR 5 Cb 0.03 -2.97 0.23 0.00 1.34 0.00 0.00 72.50 71.13 2kks s THR 5 CO -0.00 0.00 1.81 0.11 -0.54 0.00 0.00 174.62 176.00 2kks h LYS 6 N 0.45 0.80 -0.44 3.99 1.79 -1.67 -1.61 116.57 119.89 2kks h LYS 6 Ca -0.40 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.03 2kks h LYS 6 Cb 1.28 -0.18 -0.02 0.00 -1.58 0.00 0.00 32.23 31.73 2kks h LYS 6 CO 0.47 0.53 0.28 -0.22 -1.08 0.00 0.00 179.45 179.43 2kks h LYS 7 N 0.83 0.55 -0.69 3.15 3.11 -1.90 0.30 116.57 121.92 2kks h LYS 7 Ca 0.41 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 58.20 2kks h LYS 7 Cb 0.38 -0.12 -0.03 0.00 -1.00 0.00 0.00 32.23 31.46 2kks h LYS 7 CO -0.25 0.36 0.33 1.96 -2.81 0.00 0.00 179.45 179.04 2kks h GLN 8 N 0.56 0.99 -0.40 1.90 1.08 -1.80 0.27 115.11 117.71 2kks h GLN 8 Ca 0.17 -0.14 -0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2kks h GLN 8 Cb -0.04 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.20 2kks h GLN 8 CO -0.05 0.78 0.19 1.98 -0.95 0.00 0.00 178.83 180.78 2kks h MET 9 N 0.95 0.58 -0.66 1.46 4.05 -0.78 -1.39 114.93 119.14 2kks h MET 9 Ca 0.24 -0.09 0.02 0.00 -0.28 0.00 0.00 59.70 59.59 2kks h MET 9 Cb 0.12 -0.10 -0.04 0.00 -0.80 0.00 0.00 31.60 30.78 2kks h MET 9 CO -0.03 0.51 0.43 0.93 0.23 0.00 0.00 176.91 178.98 2kks h GLU 10 N 0.51 0.83 -0.68 0.39 4.39 0.15 0.51 114.58 120.68 2kks h GLU 10 Ca 0.14 -0.05 0.01 0.00 0.34 0.00 0.00 59.36 59.80 2kks h GLU 10 Cb 0.12 -0.19 -0.04 0.00 -0.10 0.00 0.00 28.75 28.55 2kks h GLU 10 CO -0.02 0.55 0.45 0.93 -1.16 0.00 0.00 179.01 179.76 2kks h GLU 11 N 0.86 0.88 -0.09 2.33 5.08 -0.19 0.16 114.58 123.61 2kks h GLU 11 Ca 0.25 -0.05 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2kks h GLU 11 Cb -0.05 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2kks h GLU 11 CO -0.08 0.58 -0.11 0.52 -1.00 0.00 0.00 179.01 178.92 2kks h MET 12 N 0.90 0.23 -0.65 2.33 2.86 -0.78 -2.99 114.93 116.83 2kks h MET 12 Ca 0.26 -0.13 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 2kks h MET 12 Cb -0.08 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.55 2kks h MET 12 CO -0.07 0.69 0.40 -0.07 1.06 0.00 0.00 176.91 178.91 2kks h LEU 13 N -0.21 0.64 -0.39 1.22 3.38 0.25 0.23 115.31 120.41 2kks h LEU 13 Ca 0.01 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2kks h LEU 13 Cb 0.66 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 2kks h LEU 13 CO 0.03 0.44 0.20 0.00 0.09 0.00 0.00 178.44 179.19 2kks h ALA 14 N 1.29 0.51 -0.46 1.53 0.00 -0.77 0.96 119.26 122.32 2kks h ALA 14 Ca 0.27 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2kks h ALA 14 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2kks h ALA 14 CO -0.12 0.06 -0.02 1.25 0.00 0.00 0.00 179.25 180.42 2kks h HIS 15 N 0.50 0.83 0.21 0.00 -0.00 -1.28 -1.10 115.15 114.30 2kks h HIS 15 Ca 0.14 -0.12 -0.01 0.00 -0.00 0.00 0.00 60.37 60.37 2kks h HIS 15 Cb 0.10 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2kks h HIS 15 CO -0.02 0.78 -0.10 0.00 -0.00 0.00 0.00 177.93 178.59 2kks h ALA 16 N 1.25 -0.29 -0.45 5.26 0.00 -0.06 -1.14 119.26 123.84 2kks h ALA 16 Ca 0.14 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2kks h ALA 16 Cb 0.47 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 2kks h ALA 16 CO 0.02 -0.63 0.22 0.00 0.00 0.00 0.00 179.25 178.87 2kks h ARG 17 N -0.35 0.61 0.00 0.00 2.47 -0.66 0.19 114.38 116.65 2kks h ARG 17 Ca -0.03 -0.06 -0.08 0.00 -1.26 0.00 0.00 59.98 58.54 2kks h ARG 17 Cb 0.27 -0.12 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2kks h ARG 17 CO 0.05 0.47 -0.40 1.96 0.56 0.00 0.00 179.97 182.61 2kks h GLN 18 N 0.62 0.00 0.00 0.04 4.20 -0.97 -3.30 115.11 115.71 2kks h GLN 18 Ca 0.16 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.60 2kks h GLN 18 Cb 0.05 0.00 -0.05 0.00 0.30 0.00 0.00 27.48 27.78 2kks h GLN 18 CO -0.02 0.40 -2.27 0.00 -0.67 0.00 0.00 178.83 176.27 2kks n ALA 19 N -2.30 1.85 -1.24 3.87 0.00 -0.45 -4.95 120.51 117.28 2kks n ALA 19 Ca -0.00 -1.11 -0.32 0.00 0.00 0.00 0.00 53.44 52.01 2kks n ALA 19 Cb 0.53 -0.35 0.09 0.00 0.00 0.00 0.00 19.45 19.73 2kks n ALA 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2kks s LEU 20 N -5.25 3.09 -0.22 0.00 1.43 0.61 -2.20 118.68 116.13 2kks s LEU 20 Ca -0.09 1.93 0.00 0.00 -1.03 0.00 0.00 54.13 54.93 2kks s LEU 20 Cb 0.08 -4.54 0.20 0.00 0.03 0.00 0.00 46.19 41.96 2kks s LEU 20 CO 0.85 -2.11 1.79 -0.81 0.23 0.00 0.00 176.35 176.30 2kks n PRO 21 N -3.37 1.58 0.00 1.29 -0.04 -1.26 -4.94 135.00 128.26 2kks n PRO 21 Ca 0.10 -1.21 0.00 0.00 -0.04 0.00 0.00 63.50 62.35 2kks n PRO 21 Cb 0.53 -1.47 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.35 0.00 -3.60 3.54 3.02 -0.93 -4.12 115.26 113.50 2kks n ASN 22 Ca 0.23 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.71 2kks n ASN 22 Cb 0.69 0.00 -0.05 0.00 -0.61 0.00 0.00 39.78 39.81 2kks n ASN 22 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 2kks s GLU 23 N 0.00 0.39 -0.26 3.52 -6.30 -1.23 -3.48 118.70 111.33 2kks s GLU 23 Ca 0.00 0.11 -0.00 0.00 -2.50 0.00 0.00 54.97 52.58 2kks s GLU 23 Cb 0.00 0.18 0.08 0.00 0.00 0.00 0.00 34.13 34.39 2kks s GLU 23 CO 0.00 -0.12 0.03 0.00 0.02 0.00 0.00 175.26 175.19 2kks s ALA 24 N -1.00 1.70 0.37 6.30 0.00 -1.24 -4.55 121.76 123.34 2kks s ALA 24 Ca 0.02 -1.44 0.08 0.00 0.00 0.00 0.00 51.96 50.63 2kks s ALA 24 Cb -0.01 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.56 2kks s ALA 24 CO -0.02 -1.40 0.07 0.00 0.00 0.00 0.00 175.76 174.41 2kks n GLY 26 N -1.06 -1.03 3.34 0.00 0.00 -1.06 -1.10 105.19 104.28 2kks n GLY 26 Ca -0.03 -0.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.88 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 2.39 -0.09 0.99 1.43 0.01 -3.07 118.68 120.33 2kks s LEU 27 Ca 0.00 -0.80 0.02 0.00 -1.03 0.00 0.00 54.13 52.32 2kks s LEU 27 Cb 0.00 -0.94 0.01 0.00 0.03 0.00 0.00 46.19 45.30 2kks s LEU 27 CO 0.00 0.04 -0.14 -0.76 0.23 0.00 0.00 176.35 175.72 2kks s LEU 28 N -2.40 1.65 0.35 1.79 1.43 -0.22 -1.96 118.68 119.34 2kks s LEU 28 Ca 0.14 -0.37 0.03 0.00 -1.03 0.00 0.00 54.13 52.90 2kks s LEU 28 Cb -0.08 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 2kks s LEU 28 CO 0.06 0.02 0.09 -0.83 0.23 0.00 0.00 176.35 175.92 2kks s GLY 29 N 0.91 2.27 0.00 -3.19 0.00 -1.10 -1.53 107.32 104.69 2kks s GLY 29 Ca -0.09 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 42.95 2kks s GLY 29 CO 0.00 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.90 2kks n GLY 30 N -0.76 -0.00 3.19 0.20 0.00 -0.61 -2.63 105.19 104.58 2kks n GLY 30 Ca -0.04 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.15 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 -0.29 1.43 -0.09 1.61 0.52 -1.25 -2.16 118.95 118.72 2kks s ARG 31 Ca 0.00 -0.71 -0.00 0.00 -0.52 0.00 0.00 55.73 54.50 2kks s ARG 31 Cb 0.00 -1.41 0.02 0.00 0.52 0.00 0.00 34.95 34.08 2kks s ARG 31 CO 0.00 0.38 -0.06 0.50 0.02 0.00 0.00 175.30 176.14 2kks s ARG 32 N -0.61 1.22 0.00 3.54 3.52 -1.26 -1.41 118.95 123.95 2kks s ARG 32 Ca 0.07 -0.16 0.30 0.00 -0.13 0.00 0.00 55.73 55.81 2kks s ARG 32 Cb -0.07 -1.31 1.41 0.00 -1.56 0.00 0.00 34.95 33.42 2kks s ARG 32 CO -0.00 -0.22 1.98 -3.47 -0.81 0.00 0.00 175.30 172.78 2kks n ASP 33 N 4.75 0.16 0.00 -2.12 2.03 -0.54 -4.91 116.55 115.93 2kks n ASP 33 Ca -0.14 -0.30 0.00 0.00 0.52 0.00 0.00 54.79 54.88 2kks n ASP 33 Cb 0.50 -0.20 0.00 0.00 -0.72 0.00 0.00 41.12 40.70 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 1.28 2.21 0.11 0.27 0.00 -1.26 -4.75 105.19 103.06 2kks n GLY 34 Ca 0.14 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.41 2kks n GLY 34 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kks n ASP 35 N 0.00 1.29 -4.80 1.61 8.00 -1.26 -4.92 116.55 116.48 2kks n ASP 35 Ca 0.00 0.17 -0.37 0.00 0.71 0.00 0.00 54.79 55.29 2kks n ASP 35 Cb 0.00 -0.16 -0.06 0.00 -0.02 0.00 0.00 41.12 40.87 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kks s ASP 36 N -6.34 7.21 -0.15 -2.24 1.01 -1.26 -3.46 116.67 111.43 2kks s ASP 36 Ca -0.17 1.55 -0.00 0.00 0.71 0.00 0.00 52.55 54.64 2kks s ASP 36 Cb 0.07 -2.47 0.04 0.00 1.01 0.00 0.00 42.92 41.57 2kks s ASP 36 CO 0.77 0.08 -0.06 -0.60 0.21 0.00 0.00 175.17 175.57 2kks s ARG 37 N -1.70 1.48 0.06 8.23 3.00 0.01 -1.47 118.95 128.57 2kks s ARG 37 Ca 0.41 -0.43 0.05 0.00 -1.00 0.00 0.00 55.73 54.76 2kks s ARG 37 Cb -0.19 -1.87 -0.04 0.00 0.00 0.00 0.00 34.95 32.85 2kks s ARG 37 CO 0.23 -0.37 -0.05 -1.58 0.00 0.00 0.00 175.30 173.53 2kks s TRP 38 N 1.66 2.90 -0.55 5.12 0.51 -0.50 0.09 118.94 128.16 2kks s TRP 38 Ca 0.02 -0.06 -0.01 0.00 -2.12 0.00 0.00 56.10 53.93 2kks s TRP 38 Cb -0.14 -1.54 0.14 0.00 -0.81 0.00 0.00 33.47 31.12 2kks s TRP 38 CO -0.08 0.43 0.34 0.08 -0.51 0.00 0.00 176.95 177.22 2kks s VAL 39 N -1.18 3.36 -0.01 4.03 1.01 -0.45 -3.92 120.40 123.25 2kks s VAL 39 Ca 0.22 -2.82 0.11 0.00 0.00 0.00 0.00 61.98 59.48 2kks s VAL 39 Cb -0.11 -3.25 -0.23 0.00 0.00 0.00 0.00 36.38 32.79 2kks s VAL 39 CO 0.13 -0.82 0.79 -0.33 0.00 0.00 0.00 175.10 174.88 2kks h GLU 40 N 7.16 0.00 -3.27 2.72 5.08 -1.82 -3.43 114.58 121.02 2kks h GLU 40 Ca -0.05 -0.01 -0.21 0.00 -1.00 0.00 0.00 59.36 58.09 2kks h GLU 40 Cb 0.96 0.00 -0.29 0.00 0.50 0.00 0.00 28.75 29.92 2kks h GLU 40 CO 0.70 0.61 -0.56 0.50 -1.00 0.00 0.00 179.01 179.25 2kks s ARG 41 N -2.62 0.14 -0.21 2.33 6.06 -1.15 -5.04 118.95 118.47 2kks s ARG 41 Ca -0.04 0.32 -0.08 0.00 -2.50 0.00 0.00 55.73 53.44 2kks s ARG 41 Cb 0.08 -0.06 -0.04 0.00 0.06 0.00 0.00 34.95 35.00 2kks s ARG 41 CO 0.82 -0.10 0.07 0.08 -2.50 0.00 0.00 175.30 173.67 2kks s VAL 42 N 0.71 4.67 -0.54 7.11 1.01 -1.26 -2.70 120.40 129.40 2kks s VAL 42 Ca -0.05 -0.07 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2kks s VAL 42 Cb -0.07 -3.13 0.14 0.00 0.00 0.00 0.00 36.38 33.32 2kks s VAL 42 CO -0.04 0.41 0.32 -0.31 0.00 0.00 0.00 175.10 175.49 2kks s TYR 43 N 0.83 2.87 0.29 5.22 2.02 -0.83 -5.05 117.35 122.69 2kks s TYR 43 Ca 0.04 -2.99 -0.29 0.00 -0.37 0.00 0.00 57.07 53.46 2kks s TYR 43 Cb -0.14 -2.45 -0.10 0.00 -0.40 0.00 0.00 41.96 38.88 2kks s TYR 43 CO 0.02 -0.70 1.14 -2.14 -1.57 0.00 0.00 175.55 172.30 2kks s PRO 44 N -0.44 4.58 0.00 -1.71 0.02 -1.26 -0.81 135.00 135.38 2kks s PRO 44 Ca 0.20 1.89 0.00 0.00 0.02 0.00 0.00 61.00 63.11 2kks s PRO 44 Cb -0.18 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.17 2kks s PRO 44 CO -0.06 0.12 0.00 1.28 -0.33 0.00 0.00 177.00 178.02 2kks n LEU 45 N 1.18 0.00 -4.84 -5.54 4.77 -0.26 -4.88 117.00 107.42 2kks n LEU 45 Ca -0.01 0.00 -0.30 0.00 -0.03 0.00 0.00 56.01 55.67 2kks n LEU 45 Cb 0.44 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.48 2kks n LEU 45 CO 0.55 -0.15 -0.21 0.21 -1.33 0.00 0.00 177.39 176.46 2kks s ASN 46 N -0.97 5.91 -0.26 -1.43 2.47 -1.26 -4.49 114.94 114.91 2kks s ASN 46 Ca 0.00 0.11 -0.09 0.00 0.42 0.00 0.00 52.86 53.30 2kks s ASN 46 Cb 0.00 -1.70 -0.04 0.00 -1.45 0.00 0.00 41.25 38.06 2kks s ASN 46 CO 0.00 0.16 0.13 0.21 -3.72 0.00 0.00 177.10 173.88 2kks s ASN 47 N -2.50 5.59 0.31 -4.21 2.47 -1.26 -4.79 114.94 110.53 2kks s ASN 47 Ca 0.32 -0.11 0.02 0.00 0.42 0.00 0.00 52.86 53.52 2kks s ASN 47 Cb -0.12 -2.02 0.51 0.00 -1.45 0.00 0.00 41.25 38.16 2kks s ASN 47 CO 0.25 -0.04 1.83 -0.07 -3.72 0.00 0.00 177.10 175.35 2kks h LEU 48 N 8.30 0.58 -8.25 3.21 -0.00 -1.80 -3.40 115.31 113.94 2kks h LEU 48 Ca -0.37 -0.12 -0.68 0.00 -0.00 0.00 0.00 57.88 56.72 2kks h LEU 48 Cb 1.18 -0.15 -0.29 0.00 -0.00 0.00 0.00 40.66 41.40 2kks h LEU 48 CO 0.56 0.65 -0.68 -1.81 -0.00 0.00 0.00 178.44 177.17 2kks s ASP 49 N -6.70 4.80 -1.26 -0.43 1.01 -1.26 -5.00 116.67 107.83 2kks s ASP 49 Ca -0.08 -0.85 -0.19 0.00 0.71 0.00 0.00 52.55 52.14 2kks s ASP 49 Cb 0.15 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.31 2kks s ASP 49 CO 0.78 -0.18 1.83 0.00 0.21 0.00 0.00 175.17 177.81 2kks n GLN 50 N 4.76 2.64 -4.14 8.23 6.02 -1.26 -4.60 117.38 129.03 2kks n GLN 50 Ca -0.15 -2.95 -0.15 0.00 -0.01 0.00 0.00 57.00 53.74 2kks n GLN 50 Cb 0.47 -3.54 -0.13 0.00 1.02 0.00 0.00 30.24 28.06 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 4.87 0.80 0.30 1.08 0.01 -1.25 -4.99 113.70 114.53 2kks s SER 51 Ca 0.58 -0.32 0.08 0.00 1.31 0.00 0.00 55.95 57.61 2kks s SER 51 Cb 0.04 -0.03 0.48 0.00 0.21 0.00 0.00 66.02 66.72 2kks s SER 51 CO 0.09 -0.05 1.70 -0.65 0.41 0.00 0.00 173.24 174.74 2kks h PRO 52 N 5.29 0.14 0.00 12.44 0.11 -1.71 -3.25 132.00 145.01 2kks h PRO 52 Ca -0.32 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2kks h PRO 52 Cb 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kks h PRO 52 CO 0.46 0.57 -1.45 0.39 -0.21 0.00 0.00 178.00 177.76 2kks n GLU 53 N -3.99 0.87 -5.16 1.05 4.71 -1.26 -4.55 120.64 112.32 2kks n GLU 53 Ca -0.02 -0.10 -0.30 0.00 -0.01 0.00 0.00 57.16 56.73 2kks n GLU 53 Cb 0.50 -1.35 -0.16 0.00 -1.01 0.00 0.00 31.44 29.42 2kks n GLU 53 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2kks s HIS 54 N -2.96 2.20 0.03 -0.32 3.76 -1.23 -4.92 115.29 111.85 2kks s HIS 54 Ca -0.02 -0.58 0.00 0.00 -0.15 0.00 0.00 55.06 54.31 2kks s HIS 54 Cb 0.11 -1.44 -0.02 0.00 1.11 0.00 0.00 32.58 32.34 2kks s HIS 54 CO 0.68 -0.15 -0.03 -0.59 -0.85 0.00 0.00 174.74 173.80 2kks s PHE 55 N -0.24 0.33 -0.03 1.40 -0.71 -1.26 -3.74 117.98 113.72 2kks s PHE 55 Ca 0.00 -0.59 -0.02 0.00 -1.04 0.00 0.00 56.93 55.28 2kks s PHE 55 Cb -0.12 -0.23 0.01 0.00 -1.21 0.00 0.00 43.02 41.47 2kks s PHE 55 CO 0.02 -0.20 0.08 -1.12 -1.34 0.00 0.00 175.22 172.66 2kks s SER 56 N -1.64 -0.07 -0.08 1.98 0.01 -1.26 -4.95 113.70 107.69 2kks s SER 56 Ca -0.13 0.16 0.04 0.00 1.31 0.00 0.00 55.95 57.33 2kks s SER 56 Cb -0.08 0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2kks s SER 56 CO -0.02 -0.05 -0.21 -0.32 0.41 0.00 0.00 173.24 173.05 2kks s MET 57 N 0.28 2.61 0.31 12.44 0.00 -1.26 -2.00 119.30 131.69 2kks s MET 57 Ca -0.02 -0.77 -0.10 0.00 0.00 0.00 0.00 55.69 54.80 2kks s MET 57 Cb -0.03 -2.04 -0.07 0.00 0.00 0.00 0.00 34.83 32.69 2kks s MET 57 CO -0.01 0.18 0.65 0.16 0.00 0.00 0.00 175.02 176.01 2kks s ASP 58 N 0.31 6.58 0.54 1.11 -4.77 -1.26 -4.98 116.67 114.20 2kks s ASP 58 Ca -0.15 1.01 0.31 0.00 -3.30 0.00 0.00 52.55 50.42 2kks s ASP 58 Cb -0.16 -2.26 1.47 0.00 -1.09 0.00 0.00 42.92 40.87 2kks s ASP 58 CO 0.07 -0.22 2.04 1.55 0.70 0.00 0.00 175.17 179.31 2kks h PRO 59 N 1.91 0.00 -0.01 2.11 0.13 -2.00 -2.30 132.00 131.84 2kks h PRO 59 Ca -0.47 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.57 2kks h PRO 59 Cb 1.18 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.32 2kks h PRO 59 CO 0.66 0.09 -0.34 0.00 -0.23 0.00 0.00 178.00 178.18 2kks h ARG 60 N 0.00 0.25 -0.59 0.86 3.08 -1.98 0.97 114.38 116.96 2kks h ARG 60 Ca -0.00 -0.25 -0.08 0.00 0.07 0.00 0.00 59.98 59.72 2kks h ARG 60 Cb 0.42 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.51 2kks h ARG 60 CO 0.01 0.96 0.06 0.93 -1.07 0.00 0.00 179.97 180.86 2kks h GLU 61 N -0.36 0.99 -0.01 0.04 4.39 -1.97 -1.29 114.58 116.37 2kks h GLU 61 Ca -0.04 -0.27 -0.00 0.00 0.34 0.00 0.00 59.36 59.39 2kks h GLU 61 Cb 1.07 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.60 2kks h GLU 61 CO 0.07 0.94 0.01 0.37 -1.16 0.00 0.00 179.01 179.23 2kks h GLN 62 N 0.92 0.01 -0.24 2.33 4.15 -1.38 -2.55 115.11 118.36 2kks h GLN 62 Ca 0.18 -0.00 -0.10 0.00 0.77 0.00 0.00 58.65 59.50 2kks h GLN 62 Cb 0.46 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 28.13 2kks h GLN 62 CO 0.02 0.04 -0.27 1.25 -1.93 0.00 0.00 178.83 177.94 2kks h LEU 63 N -0.02 0.47 -0.92 -2.39 5.85 -0.66 -1.77 115.31 115.86 2kks h LEU 63 Ca 0.00 -0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.53 2kks h LEU 63 Cb 0.04 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 40.90 2kks h LEU 63 CO -0.00 0.73 0.41 0.74 -0.34 0.00 0.00 178.44 179.98 2kks h THR 64 N 0.41 1.25 -0.20 1.05 2.02 -1.08 0.13 112.91 116.49 2kks h THR 64 Ca 0.06 -0.69 -0.20 0.00 0.77 0.00 0.00 66.41 66.34 2kks h THR 64 Cb 0.69 0.18 0.01 0.00 -1.74 0.00 0.00 68.15 67.29 2kks h THR 64 CO 0.05 0.30 -0.66 0.00 0.37 0.00 0.00 175.52 175.58 2kks h ALA 65 N 1.27 0.35 -0.40 6.16 0.00 -1.10 -3.02 119.26 122.51 2kks h ALA 65 Ca 0.29 -0.56 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 2kks h ALA 65 Cb 0.10 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 2kks h ALA 65 CO -0.04 0.64 -0.09 0.28 0.00 0.00 0.00 179.25 180.04 2kks h VAL 66 N 0.54 1.24 -0.30 0.00 2.07 -1.02 -1.54 116.25 117.24 2kks h VAL 66 Ca -0.03 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.42 2kks h VAL 66 Cb 1.28 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2kks h VAL 66 CO 0.14 0.37 0.19 0.50 0.02 0.00 0.00 177.57 178.79 2kks h LYS 67 N 0.63 0.39 -0.29 1.57 3.64 -0.74 -1.08 116.57 120.69 2kks h LYS 67 Ca 0.11 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.35 2kks h LYS 67 Cb 0.52 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 2kks h LYS 67 CO 0.03 0.26 -0.31 0.22 -2.27 0.00 0.00 179.45 177.37 2kks h ASP 68 N 0.40 0.62 -0.21 4.20 1.82 -1.39 -1.71 116.42 120.14 2kks h ASP 68 Ca 0.11 -0.25 0.02 0.00 -0.39 0.00 0.00 57.03 56.53 2kks h ASP 68 Cb -0.04 -0.17 -0.02 0.00 0.68 0.00 0.00 39.33 39.78 2kks h ASP 68 CO -0.03 0.90 0.06 -0.03 -1.61 0.00 0.00 179.24 178.53 2kks h MET 69 N 0.52 0.15 0.00 0.28 4.05 -0.86 -2.11 114.93 116.96 2kks h MET 69 Ca 0.06 -0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.39 2kks h MET 69 Cb 0.80 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.55 2kks h MET 69 CO 0.07 0.10 -0.39 -0.09 0.23 0.00 0.00 176.91 176.83 2kks h ARG 70 N 0.16 0.00 0.00 0.39 2.43 -1.03 0.71 114.38 117.04 2kks h ARG 70 Ca 0.09 0.00 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2kks h ARG 70 Cb 0.07 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 2kks h ARG 70 CO -0.11 0.39 -0.28 -0.22 -1.51 0.00 0.00 179.97 178.24 2kks h LYS 71 N 0.00 0.00 -0.00 0.20 1.63 -0.66 -1.25 116.57 116.49 2kks h LYS 71 Ca -0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2kks h LYS 71 Cb 0.84 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2kks h LYS 71 CO 0.05 0.28 -0.45 0.09 -3.45 0.00 0.00 179.45 175.97 2kks n ASN 72 N -4.07 0.53 0.00 4.20 3.02 -0.94 -4.93 115.26 113.07 2kks n ASN 72 Ca -0.02 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.24 2kks n ASN 72 Cb 0.34 0.21 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 2kks n ASN 72 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2kks n GLY 73 N 1.48 0.73 3.92 7.41 0.00 -0.47 -5.08 105.19 113.18 2kks n GLY 73 Ca 0.06 -0.43 -0.19 0.00 0.00 0.00 0.00 46.02 45.46 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 2.82 0.20 1.61 0.51 0.20 -4.97 118.94 117.31 2kks s TRP 74 Ca 0.00 -0.40 0.08 0.00 -2.12 0.00 0.00 56.10 53.65 2kks s TRP 74 Cb 0.00 -2.15 -0.05 0.00 -0.81 0.00 0.00 33.47 30.46 2kks s TRP 74 CO 0.00 -0.15 -0.15 0.14 -0.51 0.00 0.00 176.95 176.28 2kks s VAL 75 N -2.38 1.75 -0.12 4.03 -7.23 -0.92 -3.29 120.40 112.25 2kks s VAL 75 Ca 0.49 -2.20 -0.27 0.00 -1.81 0.00 0.00 61.98 58.18 2kks s VAL 75 Cb -0.06 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.82 2kks s VAL 75 CO 0.30 -0.58 0.90 -0.32 -0.31 0.00 0.00 175.10 175.09 2kks s MET 76 N -3.61 4.38 0.00 4.82 1.75 -1.26 -1.57 119.30 123.81 2kks s MET 76 Ca 0.22 1.19 0.11 0.00 -1.25 0.00 0.00 55.69 55.96 2kks s MET 76 Cb -0.01 -3.54 -0.03 0.00 2.84 0.00 0.00 34.83 34.09 2kks s MET 76 CO 0.07 -0.27 0.62 1.28 -0.65 0.00 0.00 175.02 176.07 2kks n LEU 77 N 4.94 1.11 0.00 4.11 4.77 -0.58 -4.99 117.00 126.36 2kks n LEU 77 Ca 0.06 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 55.34 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 0.50 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 2kks n GLY 78 N 1.02 -1.02 3.40 -0.72 0.00 -1.19 -0.96 105.19 105.73 2kks n GLY 78 Ca 0.04 -1.46 -0.20 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.70 1.92 0.07 1.61 2.20 -1.20 -1.05 114.94 115.79 2kks s ASN 79 Ca 0.00 -1.43 0.04 0.00 -0.94 0.00 0.00 52.86 50.53 2kks s ASN 79 Cb 0.00 0.12 -0.03 0.00 -2.00 0.00 0.00 41.25 39.34 2kks s ASN 79 CO 0.00 -0.71 -0.11 0.72 -2.94 0.00 0.00 177.10 174.06 2kks s PHE 80 N -3.48 0.97 -0.24 1.54 -0.71 -1.18 -1.16 117.98 113.73 2kks s PHE 80 Ca 0.35 -0.54 -0.20 0.00 -1.04 0.00 0.00 56.93 55.51 2kks s PHE 80 Cb 0.07 -0.55 0.07 0.00 -1.21 0.00 0.00 43.02 41.40 2kks s PHE 80 CO 0.15 -0.01 0.63 -3.38 -1.34 0.00 0.00 175.22 171.26 2kks s HIS 81 N -1.70 -0.77 -0.07 3.49 -3.43 -0.55 -2.57 115.29 109.68 2kks s HIS 81 Ca -0.02 1.76 0.03 0.00 -0.80 0.00 0.00 55.06 56.03 2kks s HIS 81 Cb -0.08 0.33 -0.02 0.00 -1.43 0.00 0.00 32.58 31.38 2kks s HIS 81 CO 0.01 -0.38 -0.14 -1.54 -2.00 0.00 0.00 174.74 170.69 2kks s SER 82 N 0.72 4.02 0.02 7.38 1.04 -1.02 -3.29 113.70 122.56 2kks s SER 82 Ca -0.03 -0.23 -0.07 0.00 0.48 0.00 0.00 55.95 56.09 2kks s SER 82 Cb -0.05 -1.06 -0.05 0.00 0.10 0.00 0.00 66.02 64.96 2kks s SER 82 CO -0.05 0.30 0.29 -1.00 0.98 0.00 0.00 173.24 173.76 2kks s HIS 83 N -0.43 3.58 0.00 5.02 3.76 -0.70 -3.65 115.29 122.87 2kks s HIS 83 Ca 0.05 0.61 -0.25 0.00 -0.15 0.00 0.00 55.06 55.33 2kks s HIS 83 Cb -0.12 -2.02 -0.16 0.00 1.11 0.00 0.00 32.58 31.39 2kks s HIS 83 CO 0.02 0.60 1.16 -1.35 -0.85 0.00 0.00 174.74 174.32 2kks h PRO 84 N 3.96 -0.49 -1.06 8.40 0.11 -1.81 -2.72 132.00 138.38 2kks h PRO 84 Ca -0.50 0.03 -0.37 0.00 0.11 0.00 0.00 66.00 65.28 2kks h PRO 84 Cb 1.20 0.11 -0.29 0.00 0.11 0.00 0.00 31.00 32.13 2kks h PRO 84 CO 0.66 -0.18 -0.86 0.00 -0.21 0.00 0.00 178.00 177.41 2kks n ALA 85 N -2.54 0.97 -2.73 -0.75 0.00 -1.26 -3.47 120.51 110.74 2kks n ALA 85 Ca -0.10 -2.53 -0.09 0.00 0.00 0.00 0.00 53.44 50.72 2kks n ALA 85 Cb 0.28 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.64 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 -1.30 0.10 0.71 0.00 -4.23 -1.26 -5.02 115.64 104.64 2kks s THR 86 Ca 0.31 -1.10 -0.16 0.00 -1.18 0.00 0.00 61.69 59.56 2kks s THR 86 Cb 0.34 -1.47 0.02 0.00 1.34 0.00 0.00 72.50 72.73 2kks s THR 86 CO -0.06 -0.46 1.20 -0.81 -0.54 0.00 0.00 174.62 173.95 2kks n PRO 87 N -0.15 0.73 -1.81 3.99 -0.04 -1.26 -4.76 135.00 131.69 2kks n PRO 87 Ca -0.13 0.31 -0.41 0.00 -0.04 0.00 0.00 63.50 63.24 2kks n PRO 87 Cb 0.63 -2.44 -0.01 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.43 6.54 -2.95 0.55 0.00 -1.26 -4.86 120.51 116.10 2kks n ALA 88 Ca 0.15 -3.93 -0.11 0.00 0.00 0.00 0.00 53.44 49.55 2kks n ALA 88 Cb 0.49 -3.13 -0.12 0.00 0.00 0.00 0.00 19.45 16.69 2kks n ALA 88 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kks s ARG 89 N 0.89 0.18 -0.06 0.00 0.52 -1.26 -4.85 118.95 114.38 2kks s ARG 89 Ca 0.55 -0.23 -0.30 0.00 -0.52 0.00 0.00 55.73 55.23 2kks s ARG 89 Cb 0.16 0.07 -0.06 0.00 0.52 0.00 0.00 34.95 35.64 2kks s ARG 89 CO -0.06 -0.03 1.73 -2.14 0.02 0.00 0.00 175.30 174.82 2kks s PRO 90 N -0.64 4.09 1.20 3.54 0.02 -1.26 -5.01 135.00 136.94 2kks s PRO 90 Ca -0.07 2.21 -0.20 0.00 0.02 0.00 0.00 61.00 62.96 2kks s PRO 90 Cb -0.04 -4.04 0.29 0.00 0.02 0.00 0.00 34.50 30.72 2kks s PRO 90 CO -0.00 -0.96 1.13 -1.12 -0.33 0.00 0.00 177.00 175.71 2kks s SER 91 N 3.83 0.94 0.09 2.53 0.01 -1.26 -4.62 113.70 115.22 2kks s SER 91 Ca 0.77 0.56 -0.21 0.00 1.31 0.00 0.00 55.95 58.38 2kks s SER 91 Cb -0.34 -0.75 -0.11 0.00 0.21 0.00 0.00 66.02 65.03 2kks s SER 91 CO 0.32 -4.10 1.66 0.00 0.41 0.00 0.00 173.24 171.53 2kks h ALA 92 N -2.57 0.18 -0.05 1.44 0.00 -1.98 0.32 119.26 116.60 2kks h ALA 92 Ca -0.44 -0.07 -0.18 0.00 0.00 0.00 0.00 54.91 54.21 2kks h ALA 92 Cb 1.29 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2kks h ALA 92 CO 0.32 -0.27 -0.77 1.05 0.00 0.00 0.00 179.25 179.59 2kks h GLU 93 N 0.10 0.32 -0.62 0.00 4.11 -1.97 -0.06 114.58 116.46 2kks h GLU 93 Ca 0.05 -0.28 0.03 0.00 0.07 0.00 0.00 59.36 59.22 2kks h GLU 93 Cb 0.11 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.39 2kks h GLU 93 CO -0.01 0.94 0.38 0.22 0.07 0.00 0.00 179.01 180.61 2kks h ASP 94 N 0.21 0.61 0.04 3.06 1.82 -1.83 -1.96 116.42 118.37 2kks h ASP 94 Ca -0.03 0.00 -0.17 0.00 -0.39 0.00 0.00 57.03 56.44 2kks h ASP 94 Cb 1.35 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 41.22 2kks h ASP 94 CO 0.13 0.43 -0.58 0.50 -1.61 0.00 0.00 179.24 178.10 2kks h LYS 95 N 0.74 0.56 0.00 0.28 3.64 -0.28 -3.24 116.57 118.26 2kks h LYS 95 Ca 0.25 -0.37 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2kks h LYS 95 Cb 0.02 0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2kks h LYS 95 CO -0.10 0.98 -0.09 -0.09 -2.27 0.00 0.00 179.45 177.87 2kks h ARG 96 N 0.42 0.00 -0.19 1.90 2.43 -0.29 -2.27 114.38 116.38 2kks h ARG 96 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kks h ARG 96 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.68 2kks h ARG 96 CO 0.11 0.09 0.00 1.28 -1.51 0.00 0.00 179.97 179.94 2kks n LEU 97 N -3.44 0.59 -4.34 3.80 4.77 -0.82 -4.64 117.00 112.91 2kks n LEU 97 Ca -0.01 -0.29 -0.45 0.00 -0.03 0.00 0.00 56.01 55.22 2kks n LEU 97 Cb 0.24 -0.11 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2kks n LEU 97 CO 0.28 0.14 0.19 0.00 -1.33 0.00 0.00 177.39 176.67 2kks s ALA 98 N -1.80 3.57 -0.30 -1.18 0.00 -0.86 -4.82 121.76 116.37 2kks s ALA 98 Ca 0.06 -2.37 0.11 0.00 0.00 0.00 0.00 51.96 49.76 2kks s ALA 98 Cb 0.03 -3.30 0.27 0.00 0.00 0.00 0.00 23.12 20.13 2kks s ALA 98 CO 0.04 -2.05 1.20 1.19 0.00 0.00 0.00 175.76 176.14 2kks n PHE 99 N 5.52 0.34 -2.24 0.00 3.72 -1.26 -5.04 117.46 118.50 2kks n PHE 99 Ca -0.12 -0.71 -0.27 0.00 -0.05 0.00 0.00 57.45 56.29 2kks n PHE 99 Cb 0.41 -0.13 0.05 0.00 -0.94 0.00 0.00 39.48 38.87 2kks n PHE 99 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2kks s ASP 100 N -1.68 5.26 -0.00 4.37 -4.77 -1.26 -5.04 116.67 113.55 2kks s ASP 100 Ca 0.24 0.69 -0.24 0.00 -3.30 0.00 0.00 52.55 49.94 2kks s ASP 100 Cb 0.18 -1.52 -0.15 0.00 -1.09 0.00 0.00 42.92 40.34 2kks s ASP 100 CO 0.07 -1.32 1.10 -0.65 0.70 0.00 0.00 175.17 175.06 2kks h PRO 101 N -0.42 -0.54 0.00 2.11 0.11 -1.96 -3.45 132.00 127.85 2kks h PRO 101 Ca -0.45 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.55 2kks h PRO 101 Cb 1.28 0.12 -0.12 0.00 0.11 0.00 0.00 31.00 32.39 2kks h PRO 101 CO 0.61 -0.23 -0.05 0.43 -0.21 0.00 0.00 178.00 178.55 2kks n SER 102 N -5.19 -1.51 -4.85 -2.05 7.64 -1.26 -5.01 113.62 101.39 2kks n SER 102 Ca -0.10 -2.19 -0.28 0.00 1.01 0.00 0.00 58.87 57.31 2kks n SER 102 Cb 0.29 1.19 0.09 0.00 -1.01 0.00 0.00 64.21 64.77 2kks n SER 102 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2kks s LEU 103 N -2.16 2.61 -0.35 -3.43 1.43 -1.26 -5.02 118.68 110.49 2kks s LEU 103 Ca 0.15 0.64 -0.08 0.00 -1.03 0.00 0.00 54.13 53.81 2kks s LEU 103 Cb 0.23 -3.14 0.03 0.00 0.03 0.00 0.00 46.19 43.34 2kks s LEU 103 CO -0.08 -1.89 0.14 -0.44 0.23 0.00 0.00 176.35 174.31 2kks s SER 104 N -4.59 5.46 -0.06 2.29 0.01 -0.13 -4.43 113.70 112.25 2kks s SER 104 Ca 0.62 -1.04 -0.15 0.00 1.31 0.00 0.00 55.95 56.69 2kks s SER 104 Cb -0.10 -1.93 -0.05 0.00 0.21 0.00 0.00 66.02 64.15 2kks s SER 104 CO 0.48 -0.33 0.41 -0.31 0.41 0.00 0.00 173.24 173.89 2kks s TYR 105 N 1.47 3.63 -0.15 2.43 1.51 -0.59 -3.26 117.35 122.38 2kks s TYR 105 Ca 0.00 0.90 -0.03 0.00 -1.01 0.00 0.00 57.07 56.93 2kks s TYR 105 Cb -0.19 -2.37 -0.03 0.00 -0.11 0.00 0.00 41.96 39.27 2kks s TYR 105 CO 0.04 0.45 -0.05 -0.51 -1.11 0.00 0.00 175.55 174.38 2kks s LEU 106 N -0.37 3.20 -0.15 -1.29 1.02 -0.31 0.10 118.68 120.87 2kks s LEU 106 Ca 0.23 -0.15 0.00 0.00 0.02 0.00 0.00 54.13 54.24 2kks s LEU 106 Cb -0.16 -1.77 0.03 0.00 0.02 0.00 0.00 46.19 44.32 2kks s LEU 106 CO 0.11 0.17 -0.12 -0.63 0.02 0.00 0.00 176.35 175.90 2kks s ILE 107 N 0.36 1.48 -0.10 -0.59 1.01 -0.40 -1.49 121.20 121.47 2kks s ILE 107 Ca -0.05 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 59.97 2kks s ILE 107 Cb -0.14 -1.45 -0.01 0.00 0.01 0.00 0.00 42.46 40.87 2kks s ILE 107 CO 0.03 0.36 -0.21 -0.63 0.00 0.00 0.00 174.94 174.50 2kks s ILE 108 N 1.51 2.34 -0.31 2.92 1.01 -1.21 -1.63 121.20 125.84 2kks s ILE 108 Ca 0.03 -0.92 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 2kks s ILE 108 Cb -0.14 -1.92 -0.01 0.00 0.01 0.00 0.00 42.46 40.41 2kks s ILE 108 CO -0.10 0.55 0.16 -0.44 0.00 0.00 0.00 174.94 175.11 2kks s SER 109 N 0.25 5.58 -0.52 3.58 0.01 0.67 -1.72 113.70 121.54 2kks s SER 109 Ca -0.14 -0.51 -0.03 0.00 1.31 0.00 0.00 55.95 56.58 2kks s SER 109 Cb -0.17 -2.01 0.12 0.00 0.21 0.00 0.00 66.02 64.18 2kks s SER 109 CO 0.07 -0.19 2.61 0.18 0.41 0.00 0.00 173.24 176.32 2kks n LEU 110 N 4.99 6.68 -0.12 2.44 7.99 -1.03 -1.67 117.00 136.29 2kks n LEU 110 Ca -0.14 -4.19 -0.05 0.00 -0.01 0.00 0.00 56.01 51.62 2kks n LEU 110 Cb 0.49 -1.20 0.03 0.00 -0.11 0.00 0.00 43.42 42.63 2kks n LEU 110 CO 0.34 1.72 0.93 0.00 -1.51 0.00 0.00 177.39 178.86 2kks h ALA 111 N 2.94 0.44 -3.38 -1.18 0.00 -1.80 -3.42 119.26 112.86 2kks h ALA 111 Ca 0.42 0.06 -0.20 0.00 0.00 0.00 0.00 54.91 55.20 2kks h ALA 111 Cb 0.60 0.06 -0.26 0.00 0.00 0.00 0.00 17.79 18.19 2kks h ALA 111 CO 0.98 -0.29 -0.62 -2.00 0.00 0.00 0.00 179.25 177.33 2kks s GLU 112 N -6.16 0.16 0.00 0.00 2.12 -1.26 -4.93 118.70 108.63 2kks s GLU 112 Ca -0.13 -0.03 0.22 0.00 0.36 0.00 0.00 54.97 55.38 2kks s GLU 112 Cb 0.13 0.07 1.13 0.00 0.26 0.00 0.00 34.13 35.71 2kks s GLU 112 CO 0.71 -0.03 1.69 -0.35 -0.54 0.00 0.00 175.26 176.75 2kks n PRO 113 N 2.69 0.37 -0.15 4.30 -0.04 -1.26 -2.88 135.00 138.01 2kks n PRO 113 Ca -0.15 0.07 -0.10 0.00 -0.04 0.00 0.00 63.50 63.29 2kks n PRO 113 Cb 0.58 -1.50 -0.00 0.00 -0.04 0.00 0.00 33.50 32.54 2kks n PRO 113 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 2kks h GLN 114 N 0.00 0.74 -1.62 0.54 3.07 -1.98 -3.41 115.11 112.46 2kks h GLN 114 Ca 0.00 -0.20 -0.30 0.00 0.09 0.00 0.00 58.65 58.24 2kks h GLN 114 Cb 0.17 -0.08 -0.26 0.00 0.08 0.00 0.00 27.48 27.38 2kks h GLN 114 CO 0.00 0.77 -0.65 0.15 0.09 0.00 0.00 178.83 179.19 2kks s LYS 115 N -5.17 0.83 0.17 0.06 -0.14 -1.14 -5.13 119.74 109.22 2kks s LYS 115 Ca -0.13 -1.05 -0.31 0.00 -1.36 0.00 0.00 55.97 53.13 2kks s LYS 115 Cb 0.11 -0.54 -0.09 0.00 -1.68 0.00 0.00 37.83 35.63 2kks s LYS 115 CO 0.79 -1.27 1.38 -1.25 -0.76 0.00 0.00 175.35 174.25 2kks s PRO 116 N 1.10 4.33 -0.17 -1.68 0.04 -1.23 -4.73 135.00 132.65 2kks s PRO 116 Ca 0.23 2.13 -0.29 0.00 0.04 0.00 0.00 61.00 63.11 2kks s PRO 116 Cb -0.06 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.28 2kks s PRO 116 CO -0.07 -0.38 1.13 0.08 0.04 0.00 0.00 177.00 177.80 2kks s VAL 117 N 0.57 4.51 -0.21 -0.36 1.01 -0.67 -4.87 120.40 120.39 2kks s VAL 117 Ca 0.61 1.82 -0.01 0.00 0.00 0.00 0.00 61.98 64.41 2kks s VAL 117 Cb -0.38 -4.17 0.01 0.00 0.00 0.00 0.00 36.38 31.84 2kks s VAL 117 CO 0.35 -0.12 -0.12 0.00 0.00 0.00 0.00 175.10 175.21 2kks s LYS 119 N 1.35 1.07 0.04 0.00 -0.14 -0.64 -4.75 119.74 116.65 2kks s LYS 119 Ca 0.04 -1.46 0.07 0.00 -1.36 0.00 0.00 55.97 53.25 2kks s LYS 119 Cb -0.14 -0.57 -0.02 0.00 -1.68 0.00 0.00 37.83 35.41 2kks s LYS 119 CO -0.08 0.05 -0.20 0.45 -0.76 0.00 0.00 175.35 174.81 2kks s SER 120 N -3.17 2.33 -0.02 2.83 0.15 -0.92 -1.27 113.70 113.62 2kks s SER 120 Ca 0.17 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.35 2kks s SER 120 Cb 0.03 -0.20 0.01 0.00 -1.71 0.00 0.00 66.02 64.15 2kks s SER 120 CO 0.01 0.15 -0.05 -0.36 1.20 0.00 0.00 173.24 174.19 2kks s PHE 121 N -0.76 0.62 -0.44 3.44 0.08 0.11 0.33 117.98 121.36 2kks s PHE 121 Ca 0.07 -0.14 -0.17 0.00 0.12 0.00 0.00 56.93 56.81 2kks s PHE 121 Cb -0.08 -0.49 0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2kks s PHE 121 CO 0.01 -0.09 0.43 -0.51 -0.10 0.00 0.00 175.22 174.96 2kks s LEU 122 N 0.38 5.10 -0.29 -0.37 1.43 0.96 -1.54 118.68 124.35 2kks s LEU 122 Ca -0.05 -0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 51.93 2kks s LEU 122 Cb -0.08 -2.30 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 2kks s LEU 122 CO -0.00 -0.61 0.72 -0.63 0.23 0.00 0.00 176.35 176.05 2kks s ILE 123 N 2.00 4.87 0.45 -0.59 1.01 -1.26 -1.47 121.20 126.20 2kks s ILE 123 Ca 0.09 1.11 0.05 0.00 0.00 0.00 0.00 60.65 61.91 2kks s ILE 123 Cb -0.19 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 2kks s ILE 123 CO 0.11 -0.16 0.07 -0.54 0.00 0.00 0.00 174.94 174.42 2kks s LYS 124 N 2.77 2.10 0.03 2.79 1.02 -0.07 -4.86 119.74 123.52 2kks s LYS 124 Ca 0.30 -2.12 -0.27 0.00 0.02 0.00 0.00 55.97 53.89 2kks s LYS 124 Cb -0.15 -1.71 -0.17 0.00 -0.52 0.00 0.00 37.83 35.28 2kks s LYS 124 CO 0.11 -0.18 1.32 -0.22 -0.92 0.00 0.00 175.35 175.47 2kks h LYS 125 N 1.52 -0.64 -0.69 1.68 3.64 -1.97 -3.25 116.57 116.87 2kks h LYS 125 Ca -0.43 0.04 0.15 0.00 -1.27 0.00 0.00 60.65 59.14 2kks h LYS 125 Cb 1.27 0.14 -0.11 0.00 -0.41 0.00 0.00 32.23 33.13 2kks h LYS 125 CO 0.75 -0.34 0.13 -0.44 -2.27 0.00 0.00 179.45 177.28 2kks h ASP 126 N -0.89 -0.06 -0.01 4.20 5.19 -2.01 -3.47 116.42 119.37 2kks h ASP 126 Ca -0.07 0.14 0.00 0.00 -0.62 0.00 0.00 57.03 56.49 2kks h ASP 126 Cb 0.59 0.21 0.00 0.00 0.18 0.00 0.00 39.33 40.31 2kks h ASP 126 CO 0.11 -0.05 0.00 0.61 -3.12 0.00 0.00 179.24 176.79 2kks n GLY 127 N -1.35 0.59 3.26 2.75 0.00 -1.23 -5.15 105.19 104.07 2kks n GLY 127 Ca 0.12 -0.70 -0.32 0.00 0.00 0.00 0.00 46.02 45.13 2kks n GLY 127 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kks s VAL 128 N -2.03 2.07 -0.14 1.61 0.11 -1.26 -0.89 120.40 119.88 2kks s VAL 128 Ca 0.00 -1.06 -0.03 0.00 -2.93 0.00 0.00 61.98 57.96 2kks s VAL 128 Cb 0.00 -1.75 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 2kks s VAL 128 CO 0.00 0.57 -0.02 -0.62 -3.33 0.00 0.00 175.10 171.69 2kks s ASP 129 N -0.11 4.94 -0.17 3.54 2.15 -0.54 -4.95 116.67 121.52 2kks s ASP 129 Ca -0.05 -0.05 -0.14 0.00 0.43 0.00 0.00 52.55 52.74 2kks s ASP 129 Cb -0.14 -1.68 -0.05 0.00 -0.30 0.00 0.00 42.92 40.76 2kks s ASP 129 CO 0.04 0.23 0.29 -1.83 -0.17 0.00 0.00 175.17 173.73 2kks s GLU 130 N 0.01 4.23 -0.04 4.34 -1.05 -1.26 -0.03 118.70 124.90 2kks s GLU 130 Ca 0.01 0.07 0.00 0.00 -0.15 0.00 0.00 54.97 54.91 2kks s GLU 130 Cb -0.13 -3.45 -0.03 0.00 -0.44 0.00 0.00 34.13 30.08 2kks s GLU 130 CO 0.02 0.19 -0.01 -2.00 0.95 0.00 0.00 175.26 174.42 2kks s GLU 131 N 0.63 2.85 0.20 -4.83 2.56 0.15 -4.98 118.70 115.28 2kks s GLU 131 Ca 0.16 -0.53 -0.12 0.00 0.00 0.00 0.00 54.97 54.48 2kks s GLU 131 Cb -0.13 -2.70 -0.07 0.00 2.00 0.00 0.00 34.13 33.22 2kks s GLU 131 CO 0.04 0.66 0.57 -1.21 -0.56 0.00 0.00 175.26 174.76 2kks s GLU 132 N -1.21 3.90 -0.24 4.30 0.41 -1.26 -2.17 118.70 122.41 2kks s GLU 132 Ca 0.16 0.40 -0.12 0.00 -0.41 0.00 0.00 54.97 55.00 2kks s GLU 132 Cb -0.11 -2.75 -0.05 0.00 -1.78 0.00 0.00 34.13 29.44 2kks s GLU 132 CO 0.06 0.37 0.23 0.42 -0.49 0.00 0.00 175.26 175.85 2kks s ILE 133 N -1.68 5.31 -0.27 -1.63 1.01 -1.26 -3.20 121.20 119.48 2kks s ILE 133 Ca 0.44 0.31 -0.11 0.00 0.00 0.00 0.00 60.65 61.29 2kks s ILE 133 Cb -0.13 -3.56 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 2kks s ILE 133 CO 0.20 0.30 0.20 -0.63 0.00 0.00 0.00 174.94 175.01 2kks s ILE 134 N 1.28 5.31 -0.23 2.92 1.09 0.02 -5.01 121.20 126.59 2kks s ILE 134 Ca 0.10 0.21 -0.13 0.00 -1.10 0.00 0.00 60.65 59.73 2kks s ILE 134 Cb -0.14 -3.54 -0.04 0.00 -1.06 0.00 0.00 42.46 37.68 2kks s ILE 134 CO 0.06 0.27 0.29 -0.76 -0.10 0.00 0.00 174.94 174.70 2kks s LEU 135 N 1.60 4.11 0.19 2.97 1.43 -1.25 -1.38 118.68 126.35 2kks s LEU 135 Ca 0.08 0.29 0.04 0.00 -1.03 0.00 0.00 54.13 53.51 2kks s LEU 135 Cb -0.15 -2.32 -0.03 0.00 0.03 0.00 0.00 46.19 43.71 2kks s LEU 135 CO 0.09 -0.04 0.25 -0.54 0.23 0.00 0.00 176.35 176.35 2kks s LYS 136 N 1.36 3.23 0.12 1.70 1.02 -0.29 -4.94 119.74 121.93 2kks s LYS 136 Ca 0.13 -0.77 0.11 0.00 0.02 0.00 0.00 55.97 55.46 2kks s LYS 136 Cb -0.14 -2.81 -0.15 0.00 -0.52 0.00 0.00 37.83 34.21 2kks s LYS 136 CO 0.07 0.47 1.15 1.49 -0.92 0.00 0.00 175.35 177.62 2kks h GLU 137 N 1.89 0.00 -5.08 1.68 4.22 -1.96 -2.17 114.58 113.16 2kks h GLU 137 Ca -0.49 0.00 -0.33 0.00 0.08 0.00 0.00 59.36 58.61 2kks h GLU 137 Cb 1.21 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 30.30 2kks h GLU 137 CO 0.64 0.74 -0.73 -2.00 -2.18 0.00 0.00 179.01 175.48 2kks s GLU 138 N -2.76 0.98 0.94 1.92 2.12 -1.26 -4.71 118.70 115.92 2kks s GLU 138 Ca 0.00 -1.32 -0.11 0.00 0.36 0.00 0.00 54.97 53.90 2kks s GLU 138 Cb 0.09 -0.63 0.15 0.00 0.26 0.00 0.00 34.13 34.01 2kks s GLU 138 CO 0.81 0.09 1.09 -0.51 -0.54 0.00 0.00 175.26 176.19 2kks s LEU 139 N -2.82 2.14 0.48 2.70 1.43 -1.26 -4.84 118.68 116.50 2kks s LEU 139 Ca 0.12 1.60 -0.21 0.00 -1.03 0.00 0.00 54.13 54.60 2kks s LEU 139 Cb -0.00 -3.94 -0.08 0.00 0.03 0.00 0.00 46.19 42.20 2kks s LEU 139 CO 0.01 -2.93 1.08 -0.70 0.23 0.00 0.00 176.35 174.03 2kks s GLU 140 N -4.82 3.77 0.12 1.70 2.56 -1.26 -4.61 118.70 116.16 2kks s GLU 140 Ca 0.65 1.50 0.00 0.00 0.00 0.00 0.00 54.97 57.12 2kks s GLU 140 Cb -0.20 -2.20 0.00 0.00 2.00 0.00 0.00 34.13 33.73 2kks s GLU 140 CO 0.58 -0.48 0.00 1.58 -0.56 0.00 0.00 175.26 176.38 2kks n HIS 141 N -0.80 -0.95 0.00 5.30 -0.00 -1.26 -4.89 115.22 112.62 2kks n HIS 141 Ca 0.09 0.50 0.00 0.00 0.46 0.00 0.00 57.72 58.76 2kks n HIS 141 Cb 0.51 -0.87 0.00 0.00 -0.12 0.00 0.00 29.99 29.51 2kks n HIS 141 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kks n HIS 142 N -2.87 0.00 -2.00 1.57 -0.00 -1.26 -4.91 115.22 105.75 2kks n HIS 142 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.30 2kks n HIS 142 Cb 0.17 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.14 2kks n HIS 142 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kks s HIS 143 N 0.00 2.95 0.27 1.57 -3.43 -1.26 -5.02 115.29 110.37 2kks s HIS 143 Ca 0.00 1.17 0.03 0.00 -0.80 0.00 0.00 55.06 55.46 2kks s HIS 143 Cb 0.00 -3.82 -0.04 0.00 -1.43 0.00 0.00 32.58 27.30 2kks s HIS 143 CO 0.00 -2.48 0.18 -1.01 -2.00 0.00 0.00 174.74 169.43 2kks s HIS 144 N -0.58 1.48 -0.02 0.38 3.76 -1.26 -5.14 115.29 113.91 2kks s HIS 144 Ca 0.55 -1.45 0.05 0.00 -0.15 0.00 0.00 55.06 54.06 2kks s HIS 144 Cb -0.42 -0.71 -0.01 0.00 1.11 0.00 0.00 32.58 32.55 2kks s HIS 144 CO 0.50 -0.66 -0.19 -3.38 -0.85 0.00 0.00 174.74 170.16 2kks s HIS 145 N -3.76 1.74 0.00 1.40 -3.43 -1.26 -5.26 115.29 104.72 2kks s HIS 145 Ca 0.38 -0.38 0.00 0.00 -0.80 0.00 0.00 55.06 54.26 2kks s HIS 145 Cb 0.05 -1.14 0.00 0.00 -1.43 0.00 0.00 32.58 30.06 2kks s HIS 145 CO 0.18 -0.07 0.00 1.58 -2.00 0.00 0.00 174.74 174.43