#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 4.14 -0.05 3.17 2.07 -0.55 -0.77 121.20 129.21 2kks s ILE 2 Ca 0.00 -0.29 0.04 0.00 -1.41 0.00 0.00 60.65 58.99 2kks s ILE 2 Cb 0.00 -2.77 -0.00 0.00 0.13 0.00 0.00 42.46 39.82 2kks s ILE 2 CO 0.00 0.55 -0.17 -0.89 -1.91 0.00 0.00 174.94 172.52 2kks s THR 3 N -0.33 1.46 0.16 4.00 2.01 0.94 -0.11 115.64 123.77 2kks s THR 3 Ca 0.06 -0.72 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 2kks s THR 3 Cb -0.12 -1.26 -0.00 0.00 0.01 0.00 0.00 72.50 71.12 2kks s THR 3 CO 0.02 0.42 0.31 -1.48 -0.69 0.00 0.00 174.62 173.21 2kks s LEU 4 N 0.14 0.86 0.64 4.42 0.05 -0.13 -2.12 118.68 122.54 2kks s LEU 4 Ca -0.07 -0.77 0.02 0.00 0.05 0.00 0.00 54.13 53.36 2kks s LEU 4 Cb -0.13 1.34 0.10 0.00 -2.05 0.00 0.00 46.19 45.45 2kks s LEU 4 CO 0.03 -0.90 0.89 0.42 -0.55 0.00 0.00 176.35 176.24 2kks s THR 5 N -3.94 2.28 0.25 5.48 -4.23 -1.26 -0.98 115.64 113.24 2kks s THR 5 Ca 0.14 -0.71 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 2kks s THR 5 Cb 0.03 -2.57 0.07 0.00 1.34 0.00 0.00 72.50 71.37 2kks s THR 5 CO -0.02 0.00 1.70 0.11 -0.54 0.00 0.00 174.62 175.87 2kks h LYS 6 N -0.21 0.71 -0.83 3.99 1.57 -1.96 -1.71 116.57 118.12 2kks h LYS 6 Ca -0.36 -0.24 0.09 0.00 -1.87 0.00 0.00 60.65 58.26 2kks h LYS 6 Cb 1.28 -0.06 -0.07 0.00 0.08 0.00 0.00 32.23 33.46 2kks h LYS 6 CO 0.43 0.82 0.49 -0.22 -0.57 0.00 0.00 179.45 180.39 2kks h LYS 7 N 0.64 0.81 -0.48 3.15 3.11 -1.94 0.38 116.57 122.24 2kks h LYS 7 Ca 0.10 -0.05 -0.12 0.00 -2.81 0.00 0.00 60.65 57.77 2kks h LYS 7 Cb 0.61 -0.18 -0.01 0.00 -1.00 0.00 0.00 32.23 31.64 2kks h LYS 7 CO 0.04 0.54 -0.19 1.96 -2.81 0.00 0.00 179.45 178.99 2kks h GLN 8 N 0.84 0.95 -0.26 1.90 1.08 -1.83 0.11 115.11 117.90 2kks h GLN 8 Ca 0.39 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 57.21 2kks h GLN 8 Cb 0.31 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.69 2kks h GLN 8 CO -0.23 1.05 0.17 1.98 -0.95 0.00 0.00 178.83 180.86 2kks h MET 9 N 0.83 0.34 -0.88 1.46 4.05 -0.40 -1.00 114.93 119.32 2kks h MET 9 Ca 0.11 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.54 2kks h MET 9 Cb 0.75 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.43 2kks h MET 9 CO 0.06 0.23 0.57 0.93 0.23 0.00 0.00 176.91 178.94 2kks h GLU 10 N 0.35 1.11 -0.32 0.39 4.39 -0.00 0.41 114.58 120.90 2kks h GLU 10 Ca 0.09 -0.07 0.02 0.00 0.34 0.00 0.00 59.36 59.75 2kks h GLU 10 Cb -0.03 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.34 2kks h GLU 10 CO -0.02 0.73 0.15 0.93 -1.16 0.00 0.00 179.01 179.64 2kks h GLU 11 N 1.14 0.31 -0.39 2.33 4.39 -0.42 0.13 114.58 122.06 2kks h GLU 11 Ca 0.34 -0.02 -0.09 0.00 0.34 0.00 0.00 59.36 59.93 2kks h GLU 11 Cb -0.05 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.52 2kks h GLU 11 CO -0.10 0.20 -0.11 0.52 -1.16 0.00 0.00 179.01 178.36 2kks h MET 12 N 0.32 0.77 -0.36 2.33 2.86 -0.57 -2.63 114.93 117.64 2kks h MET 12 Ca 0.13 -0.30 -0.00 0.00 -2.06 0.00 0.00 59.70 57.47 2kks h MET 12 Cb 0.06 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 2kks h MET 12 CO -0.10 0.91 0.22 -0.07 1.06 0.00 0.00 176.91 178.93 2kks h LEU 13 N 0.58 0.43 -0.61 1.22 3.38 0.05 0.25 115.31 120.62 2kks h LEU 13 Ca 0.10 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2kks h LEU 13 Cb 0.64 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.25 2kks h LEU 13 CO 0.04 0.35 0.40 0.00 0.09 0.00 0.00 178.44 179.33 2kks h ALA 14 N 1.10 0.77 -0.50 1.53 0.00 -0.74 0.47 119.26 121.89 2kks h ALA 14 Ca 0.13 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2kks h ALA 14 Cb -0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 2kks h ALA 14 CO -0.03 0.20 0.12 1.25 0.00 0.00 0.00 179.25 180.80 2kks h HIS 15 N 0.82 0.85 0.21 0.00 -0.00 -1.13 -2.09 115.15 113.81 2kks h HIS 15 Ca 0.22 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.48 2kks h HIS 15 Cb -0.09 -0.24 0.00 0.00 -0.00 0.00 0.00 27.41 27.08 2kks h HIS 15 CO -0.03 0.75 -0.10 0.00 -0.00 0.00 0.00 177.93 178.55 2kks h ALA 16 N 1.00 -0.29 -0.49 5.26 0.00 0.06 -2.72 119.26 122.08 2kks h ALA 16 Ca 0.16 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 2kks h ALA 16 Cb 0.33 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2kks h ALA 16 CO 0.00 -0.66 0.15 0.00 0.00 0.00 0.00 179.25 178.74 2kks h ARG 17 N -0.29 0.72 -0.89 0.00 3.08 -0.92 -1.63 114.38 114.45 2kks h ARG 17 Ca -0.03 -0.12 0.07 0.00 0.07 0.00 0.00 59.98 59.97 2kks h ARG 17 Cb 0.22 -0.12 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 2kks h ARG 17 CO 0.05 0.63 0.55 0.37 -1.07 0.00 0.00 179.97 180.51 2kks h GLN 18 N 0.71 0.96 -0.13 0.04 4.15 -1.17 -2.59 115.11 117.07 2kks h GLN 18 Ca 0.16 -0.06 0.00 0.00 0.77 0.00 0.00 58.65 59.53 2kks h GLN 18 Cb 0.21 -0.22 0.00 0.00 0.21 0.00 0.00 27.48 27.69 2kks h GLN 18 CO -0.01 0.64 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 2kks n ALA 19 N -2.36 2.48 -1.77 3.38 0.00 -0.84 -4.93 120.51 116.48 2kks n ALA 19 Ca 0.14 -0.71 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 2kks n ALA 19 Cb 0.20 -0.92 -0.03 0.00 0.00 0.00 0.00 19.45 18.71 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 -1.82 4.41 -0.44 0.00 1.43 -0.67 0.14 118.68 121.73 2kks s LEU 20 Ca 0.33 2.47 0.04 0.00 -1.03 0.00 0.00 54.13 55.95 2kks s LEU 20 Cb 0.21 -3.73 0.63 0.00 0.03 0.00 0.00 46.19 43.33 2kks s LEU 20 CO 0.31 -0.44 1.86 -0.81 0.23 0.00 0.00 176.35 177.50 2kks n PRO 21 N 0.76 2.22 -0.11 1.29 -0.04 -1.26 -4.90 135.00 132.95 2kks n PRO 21 Ca 0.01 -3.06 0.10 0.00 -0.04 0.00 0.00 63.50 60.50 2kks n PRO 21 Cb 0.44 -2.13 0.32 0.00 -0.04 0.00 0.00 33.50 32.08 2kks n PRO 21 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2kks n ASN 22 N -1.13 1.89 -0.36 3.54 4.05 0.12 -4.77 115.26 118.60 2kks n ASN 22 Ca 0.56 -1.80 0.02 0.00 0.45 0.00 0.00 54.58 53.81 2kks n ASN 22 Cb 1.53 -0.15 -0.01 0.00 1.23 0.00 0.00 39.78 42.38 2kks n ASN 22 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 177.26 173.59 2kks n GLU 23 N 0.48 -0.90 -4.19 1.20 1.02 -0.83 -4.85 120.64 112.57 2kks n GLU 23 Ca 0.16 0.71 -0.19 0.00 -0.02 0.00 0.00 57.16 57.82 2kks n GLU 23 Cb 0.35 -0.93 -0.12 0.00 -0.02 0.00 0.00 31.44 30.71 2kks n GLU 23 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kks s ALA 24 N -3.95 1.27 0.05 0.62 0.00 -1.15 -4.71 121.76 113.89 2kks s ALA 24 Ca 0.00 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.93 2kks s ALA 24 Cb 0.00 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2kks s ALA 24 CO 0.00 0.20 -0.05 0.00 0.00 0.00 0.00 175.76 175.91 2kks n GLY 26 N 0.92 0.65 3.42 0.00 0.00 0.08 -2.92 105.19 107.34 2kks n GLY 26 Ca -0.19 -1.05 -0.21 0.00 0.00 0.00 0.00 46.02 44.56 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 2.56 -0.06 0.99 1.43 0.03 -1.16 118.68 122.47 2kks s LEU 27 Ca 0.18 -1.10 0.06 0.00 -1.03 0.00 0.00 54.13 52.24 2kks s LEU 27 Cb -0.02 -0.78 -0.01 0.00 0.03 0.00 0.00 46.19 45.42 2kks s LEU 27 CO 0.02 -0.19 -0.25 -0.76 0.23 0.00 0.00 176.35 175.41 2kks s LEU 28 N -3.43 2.09 0.10 1.79 1.43 -0.70 -0.91 118.68 119.05 2kks s LEU 28 Ca 0.27 -0.51 0.09 0.00 -1.03 0.00 0.00 54.13 52.95 2kks s LEU 28 Cb 0.00 -1.38 -0.03 0.00 0.03 0.00 0.00 46.19 44.80 2kks s LEU 28 CO 0.11 0.23 -0.23 -0.83 0.23 0.00 0.00 176.35 175.87 2kks s GLY 29 N -0.10 1.32 0.00 -3.19 0.00 -0.85 -0.47 107.32 104.03 2kks s GLY 29 Ca -0.06 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.39 2kks s GLY 29 CO 0.04 -1.25 0.00 0.61 0.00 0.00 0.00 173.10 172.50 2kks n GLY 30 N 1.20 -0.30 3.49 0.20 0.00 -0.14 -1.12 105.19 108.52 2kks n GLY 30 Ca -0.19 -0.51 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.38 3.36 0.06 1.61 0.52 -0.31 -0.81 118.95 121.99 2kks s ARG 31 Ca 0.00 -0.57 0.05 0.00 -0.52 0.00 0.00 55.73 54.69 2kks s ARG 31 Cb 0.00 -2.76 -0.03 0.00 0.52 0.00 0.00 34.95 32.68 2kks s ARG 31 CO 0.00 0.35 -0.14 -0.98 0.02 0.00 0.00 175.30 174.56 2kks s ARG 32 N 0.04 0.82 0.00 3.54 1.04 -1.26 0.22 118.95 123.35 2kks s ARG 32 Ca -0.01 -0.87 0.00 0.00 -1.04 0.00 0.00 55.73 53.80 2kks s ARG 32 Cb -0.14 -0.81 0.00 0.00 -2.04 0.00 0.00 34.95 31.96 2kks s ARG 32 CO 0.03 0.18 0.00 -3.47 -0.04 0.00 0.00 175.30 172.01 2kks n ASP 33 N 1.49 0.98 0.04 -2.89 -0.08 0.98 -5.00 116.55 112.06 2kks n ASP 33 Ca -0.20 0.00 -0.04 0.00 -1.51 0.00 0.00 54.79 53.03 2kks n ASP 33 Cb 0.54 0.00 -0.09 0.00 2.34 0.00 0.00 41.12 43.91 2kks n ASP 33 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 2kks h GLY 34 N 0.00 0.00 0.00 0.27 0.00 -2.01 -3.40 103.07 97.93 2kks h GLY 34 Ca 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.26 2kks h GLY 34 CO 0.00 0.00 -1.28 1.34 0.00 0.00 0.00 176.54 176.60 2kks n ASP 35 N -3.13 3.88 -4.66 0.19 -0.08 -1.26 -5.06 116.55 106.42 2kks n ASP 35 Ca -0.07 -0.01 -0.27 0.00 -1.51 0.00 0.00 54.79 52.93 2kks n ASP 35 Cb 0.92 0.36 -0.08 0.00 2.34 0.00 0.00 41.12 44.67 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kks s ASP 36 N -3.83 4.78 -0.05 1.67 1.01 -1.26 -1.20 116.67 117.79 2kks s ASP 36 Ca -0.04 -0.38 0.02 0.00 0.71 0.00 0.00 52.55 52.87 2kks s ASP 36 Cb 0.01 -1.02 0.01 0.00 1.01 0.00 0.00 42.92 42.93 2kks s ASP 36 CO 0.15 0.10 -0.10 -0.13 0.21 0.00 0.00 175.17 175.39 2kks s ARG 37 N -2.88 1.39 -0.23 8.23 3.00 0.05 -0.01 118.95 128.50 2kks s ARG 37 Ca 0.27 -0.34 0.02 0.00 0.00 0.00 0.00 55.73 55.68 2kks s ARG 37 Cb -0.09 -1.20 0.05 0.00 0.00 0.00 0.00 34.95 33.70 2kks s ARG 37 CO 0.18 0.04 -0.11 -1.58 0.00 0.00 0.00 175.30 173.83 2kks s TRP 38 N 0.59 2.78 -0.25 -0.53 0.51 0.13 -0.04 118.94 122.12 2kks s TRP 38 Ca -0.11 -1.91 -0.23 0.00 -2.12 0.00 0.00 56.10 51.73 2kks s TRP 38 Cb -0.14 -1.77 -0.01 0.00 -0.81 0.00 0.00 33.47 30.74 2kks s TRP 38 CO 0.02 -0.81 0.78 0.08 -0.51 0.00 0.00 176.95 176.51 2kks s VAL 39 N 1.27 4.87 -0.14 4.03 1.01 -0.90 -1.16 120.40 129.38 2kks s VAL 39 Ca -0.04 1.44 0.16 0.00 0.00 0.00 0.00 61.98 63.53 2kks s VAL 39 Cb -0.18 -4.07 -0.24 0.00 0.00 0.00 0.00 36.38 31.89 2kks s VAL 39 CO -0.07 -0.06 0.29 -1.84 0.00 0.00 0.00 175.10 173.42 2kks n GLU 40 N 5.95 0.67 -3.76 2.72 -0.00 -0.27 -4.72 120.64 121.23 2kks n GLU 40 Ca 0.04 0.10 -0.13 0.00 -0.00 0.00 0.00 57.16 57.18 2kks n GLU 40 Cb 0.48 -1.62 -0.11 0.00 -0.00 0.00 0.00 31.44 30.18 2kks n GLU 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2kks s ARG 41 N -2.53 0.33 -0.04 3.44 6.06 -1.04 -4.83 118.95 120.33 2kks s ARG 41 Ca -0.08 0.47 -0.21 0.00 -2.50 0.00 0.00 55.73 53.40 2kks s ARG 41 Cb 0.07 0.10 -0.05 0.00 0.06 0.00 0.00 34.95 35.13 2kks s ARG 41 CO 0.83 -0.07 0.63 0.08 -2.50 0.00 0.00 175.30 174.26 2kks s VAL 42 N 0.46 4.98 -0.66 7.11 1.01 -1.26 -2.01 120.40 130.04 2kks s VAL 42 Ca -0.03 1.30 -0.04 0.00 0.00 0.00 0.00 61.98 63.22 2kks s VAL 42 Cb -0.04 -3.97 0.17 0.00 0.00 0.00 0.00 36.38 32.54 2kks s VAL 42 CO -0.02 0.34 0.48 -0.31 0.00 0.00 0.00 175.10 175.59 2kks s TYR 43 N 0.28 3.44 -0.35 5.22 1.51 -0.09 -4.99 117.35 122.38 2kks s TYR 43 Ca 0.33 -2.69 -0.28 0.00 -1.01 0.00 0.00 57.07 53.42 2kks s TYR 43 Cb -0.18 -3.24 -0.03 0.00 -0.11 0.00 0.00 41.96 38.40 2kks s TYR 43 CO 0.17 -0.84 2.01 -2.14 -1.11 0.00 0.00 175.55 173.64 2kks s PRO 44 N -0.14 3.04 0.00 -1.71 0.02 -1.26 -0.78 135.00 134.16 2kks s PRO 44 Ca 0.18 1.52 0.00 0.00 0.02 0.00 0.00 61.00 62.72 2kks s PRO 44 Cb -0.19 -4.32 0.00 0.00 0.02 0.00 0.00 34.50 30.01 2kks s PRO 44 CO -0.04 -2.21 0.00 1.28 -0.33 0.00 0.00 177.00 175.70 2kks n LEU 45 N 11.70 0.00 0.00 -5.54 7.99 -1.15 -4.97 117.00 125.03 2kks n LEU 45 Ca 0.26 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.26 2kks n LEU 45 Cb 0.48 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.79 2kks n LEU 45 CO 0.68 -0.31 0.00 -3.20 -1.51 0.00 0.00 177.39 173.05 2kks n ASN 46 N -1.88 0.15 -3.41 -1.43 5.15 -1.26 -4.84 115.26 107.75 2kks n ASN 46 Ca 0.00 0.00 -0.20 0.00 -0.60 0.00 0.00 54.58 53.78 2kks n ASN 46 Cb 0.00 0.00 -0.10 0.00 -0.53 0.00 0.00 39.78 39.15 2kks n ASN 46 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2kks s ASN 47 N -0.55 1.83 -0.06 1.20 3.84 -1.26 -4.52 114.94 115.42 2kks s ASN 47 Ca 0.00 -1.31 -0.15 0.00 0.21 0.00 0.00 52.86 51.61 2kks s ASN 47 Cb 0.00 0.33 -0.11 0.00 -0.55 0.00 0.00 41.25 40.92 2kks s ASN 47 CO 0.00 -0.33 0.60 -0.07 -2.79 0.00 0.00 177.10 174.51 2kks h LEU 48 N 7.66 -0.21 -8.14 3.21 3.38 -1.96 -3.40 115.31 115.85 2kks h LEU 48 Ca -0.04 -0.22 -0.68 0.00 0.09 0.00 0.00 57.88 57.02 2kks h LEU 48 Cb 1.05 0.05 -0.18 0.00 0.09 0.00 0.00 40.66 41.67 2kks h LEU 48 CO 0.28 0.33 0.37 -1.81 0.09 0.00 0.00 178.44 177.70 2kks s ASP 49 N -5.39 6.29 0.17 -0.43 1.01 -1.26 -4.91 116.67 112.15 2kks s ASP 49 Ca -0.09 -1.48 -0.16 0.00 0.71 0.00 0.00 52.55 51.53 2kks s ASP 49 Cb 0.00 -2.35 0.11 0.00 1.01 0.00 0.00 42.92 41.70 2kks s ASP 49 CO 0.32 -1.18 1.67 1.56 0.21 0.00 0.00 175.17 177.76 2kks h GLN 50 N 9.16 0.03 -3.21 8.23 4.20 -1.90 -3.35 115.11 128.27 2kks h GLN 50 Ca -0.19 -0.00 0.31 0.00 0.06 0.00 0.00 58.65 58.83 2kks h GLN 50 Cb 1.07 -0.01 -0.16 0.00 0.30 0.00 0.00 27.48 28.68 2kks h GLN 50 CO 1.11 0.02 -1.07 0.43 -0.67 0.00 0.00 178.83 178.65 2kks n SER 51 N -5.28 -6.98 -0.10 1.46 7.64 -1.26 -4.65 113.62 104.45 2kks n SER 51 Ca 0.03 1.22 -0.20 0.00 1.01 0.00 0.00 58.87 60.93 2kks n SER 51 Cb 0.23 -4.54 -0.11 0.00 -1.01 0.00 0.00 64.21 58.77 2kks n SER 51 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2kks h PRO 52 N -1.39 0.00 -0.07 1.43 0.14 -1.93 -3.42 132.00 126.76 2kks h PRO 52 Ca -0.16 0.00 0.00 0.00 0.14 0.00 0.00 66.00 65.98 2kks h PRO 52 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 31.00 32.37 2kks h PRO 52 CO 0.06 0.96 0.00 0.39 0.14 0.00 0.00 178.00 179.56 2kks n GLU 53 N -4.47 0.80 -3.14 0.86 1.02 -1.26 -4.93 120.64 109.51 2kks n GLU 53 Ca -0.27 -1.21 -0.12 0.00 -0.02 0.00 0.00 57.16 55.53 2kks n GLU 53 Cb 0.63 -1.17 -0.03 0.00 -0.02 0.00 0.00 31.44 30.84 2kks n GLU 53 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2kks n HIS 54 N 0.43 0.04 -3.79 -0.32 8.25 -1.26 -5.09 115.22 113.49 2kks n HIS 54 Ca 0.06 -1.26 -0.06 0.00 -0.26 0.00 0.00 57.72 56.20 2kks n HIS 54 Cb 0.25 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.35 2kks n HIS 54 CO 0.00 0.00 0.00 1.97 0.64 0.00 0.00 176.34 178.95 2kks n PHE 55 N -0.43 -0.80 -4.44 4.41 -1.74 -1.26 -4.47 117.46 108.73 2kks n PHE 55 Ca -0.02 -0.95 -0.21 0.00 -0.56 0.00 0.00 57.45 55.70 2kks n PHE 55 Cb 0.29 0.21 -0.11 0.00 1.52 0.00 0.00 39.48 41.40 2kks n PHE 55 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kks s SER 56 N -1.87 2.45 0.00 5.98 0.15 -1.26 -4.82 113.70 114.34 2kks s SER 56 Ca 0.12 -1.32 0.21 0.00 0.70 0.00 0.00 55.95 55.66 2kks s SER 56 Cb -0.00 -0.10 0.06 0.00 -1.71 0.00 0.00 66.02 64.26 2kks s SER 56 CO 0.09 -0.53 1.09 0.23 1.20 0.00 0.00 173.24 175.32 2kks n MET 57 N -0.64 1.61 -3.59 5.44 2.81 -1.26 -4.84 117.12 116.64 2kks n MET 57 Ca -0.03 -1.27 -0.20 0.00 -1.81 0.00 0.00 57.70 54.38 2kks n MET 57 Cb 0.66 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.74 2kks n MET 57 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 2kks n ASP 58 N 0.43 -5.59 -0.32 7.83 8.00 -1.26 -4.31 116.55 121.32 2kks n ASP 58 Ca 0.10 -0.68 0.19 0.00 0.71 0.00 0.00 54.79 55.12 2kks n ASP 58 Cb 0.48 -2.52 0.45 0.00 -0.02 0.00 0.00 41.12 39.51 2kks n ASP 58 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 2kks h PRO 59 N 0.12 0.48 -0.17 -0.24 0.11 -1.98 0.56 132.00 130.89 2kks h PRO 59 Ca -0.48 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.52 2kks h PRO 59 Cb 1.31 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 2kks h PRO 59 CO 0.34 0.32 -0.20 0.00 -0.21 0.00 0.00 178.00 178.25 2kks h ARG 60 N 0.50 0.43 -0.25 1.05 2.47 -2.00 -1.31 114.38 115.27 2kks h ARG 60 Ca 0.57 -0.24 -0.15 0.00 -1.26 0.00 0.00 59.98 58.91 2kks h ARG 60 Cb 1.28 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 29.61 2kks h ARG 60 CO -0.31 0.81 -0.44 0.93 0.56 0.00 0.00 179.97 181.52 2kks h GLU 61 N 0.07 0.63 -0.12 0.04 4.39 -1.41 -2.56 114.58 115.61 2kks h GLU 61 Ca 0.02 -0.34 0.00 0.00 0.34 0.00 0.00 59.36 59.38 2kks h GLU 61 Cb 0.75 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.41 2kks h GLU 61 CO 0.05 0.95 0.07 0.37 -1.16 0.00 0.00 179.01 179.28 2kks h GLN 62 N 0.51 0.13 -0.09 2.33 4.15 0.13 0.17 115.11 122.44 2kks h GLN 62 Ca 0.04 -0.01 -0.08 0.00 0.77 0.00 0.00 58.65 59.37 2kks h GLN 62 Cb 0.97 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 28.62 2kks h GLN 62 CO 0.09 0.09 -0.30 1.25 -1.93 0.00 0.00 178.83 178.02 2kks h LEU 63 N 0.14 0.17 -0.34 -2.39 5.85 -1.19 -1.58 115.31 115.97 2kks h LEU 63 Ca 0.05 -0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.60 2kks h LEU 63 Cb -0.00 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 40.98 2kks h LEU 63 CO -0.02 0.47 -0.24 0.74 -0.34 0.00 0.00 178.44 179.04 2kks h THR 64 N 0.15 1.29 -0.20 1.05 2.02 -1.03 -2.73 112.91 113.46 2kks h THR 64 Ca 0.02 -1.39 -0.06 0.00 0.77 0.00 0.00 66.41 65.75 2kks h THR 64 Cb 0.62 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 68.47 2kks h THR 64 CO 0.04 0.45 -0.12 0.00 0.37 0.00 0.00 175.52 176.27 2kks h ALA 65 N 0.76 0.28 -0.42 6.16 0.00 -0.55 -2.98 119.26 122.51 2kks h ALA 65 Ca 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2kks h ALA 65 Cb 0.80 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kks h ALA 65 CO 0.07 0.14 0.14 0.28 0.00 0.00 0.00 179.25 179.87 2kks h VAL 66 N 0.12 1.17 -0.75 0.00 2.07 -1.37 -1.79 116.25 115.70 2kks h VAL 66 Ca 0.04 -0.57 0.01 0.00 0.82 0.00 0.00 66.70 67.00 2kks h VAL 66 Cb 0.63 0.71 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2kks h VAL 66 CO 0.03 0.22 0.49 0.50 0.02 0.00 0.00 177.57 178.83 2kks h LYS 67 N 0.59 0.97 -0.30 1.57 3.64 -1.37 -2.24 116.57 119.43 2kks h LYS 67 Ca 0.14 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.29 2kks h LYS 67 Cb 0.17 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 2kks h LYS 67 CO -0.01 0.64 -0.49 0.22 -2.27 0.00 0.00 179.45 177.54 2kks h ASP 68 N 1.00 0.89 -0.33 4.20 3.58 -1.25 -2.97 116.42 121.54 2kks h ASP 68 Ca 0.28 -0.45 0.05 0.00 0.42 0.00 0.00 57.03 57.33 2kks h ASP 68 Cb -0.08 -0.25 -0.04 0.00 1.72 0.00 0.00 39.33 40.67 2kks h ASP 68 CO -0.07 1.23 0.07 0.24 -2.88 0.00 0.00 179.24 177.83 2kks h MET 69 N 0.64 0.19 0.00 0.28 2.86 -0.86 -1.27 114.93 116.78 2kks h MET 69 Ca 0.03 -0.01 -0.05 0.00 -2.06 0.00 0.00 59.70 57.61 2kks h MET 69 Cb 1.07 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.68 2kks h MET 69 CO 0.11 0.13 -0.21 0.07 1.06 0.00 0.00 176.91 178.06 2kks h ARG 70 N 0.20 0.00 -0.13 1.72 -0.00 -1.26 0.70 114.38 115.60 2kks h ARG 70 Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 59.98 59.99 2kks h ARG 70 Cb 0.16 0.00 -0.01 0.00 -0.00 0.00 0.00 29.97 30.12 2kks h ARG 70 CO -0.19 0.21 -0.53 -0.22 -0.00 0.00 0.00 179.97 179.25 2kks h LYS 71 N 0.00 0.36 0.00 0.08 3.11 -1.17 -3.01 116.57 115.94 2kks h LYS 71 Ca -0.00 -0.22 0.00 0.00 -2.81 0.00 0.00 60.65 57.62 2kks h LYS 71 Cb 0.75 0.02 0.00 0.00 -1.00 0.00 0.00 32.23 32.01 2kks h LYS 71 CO 0.03 0.80 -0.28 -0.91 -2.81 0.00 0.00 179.45 176.28 2kks h ASN 72 N 0.28 0.00 0.00 4.20 2.35 -0.52 -3.47 115.58 118.42 2kks h ASN 72 Ca 0.01 -0.09 0.00 0.00 -0.55 0.00 0.00 56.30 55.67 2kks h ASN 72 Cb 1.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.39 2kks h ASN 72 CO 0.09 0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.52 2kks n GLY 73 N 1.30 1.37 3.51 2.83 0.00 -0.69 -5.10 105.19 108.42 2kks n GLY 73 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 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 2.03 0.25 1.61 0.51 0.16 -4.99 118.94 116.50 2kks s TRP 74 Ca 0.00 -0.95 0.03 0.00 -2.12 0.00 0.00 56.10 53.06 2kks s TRP 74 Cb 0.00 -1.38 -0.05 0.00 -0.81 0.00 0.00 33.47 31.23 2kks s TRP 74 CO 0.00 0.06 0.02 0.14 -0.51 0.00 0.00 176.95 176.66 2kks s VAL 75 N -3.15 1.00 -0.08 4.03 -7.23 0.01 -2.84 120.40 112.14 2kks s VAL 75 Ca 0.32 -2.02 -0.28 0.00 -1.81 0.00 0.00 61.98 58.19 2kks s VAL 75 Cb 0.08 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.55 2kks s VAL 75 CO 0.15 -0.24 0.91 -0.32 -0.31 0.00 0.00 175.10 175.29 2kks s MET 76 N -3.89 4.44 0.07 4.82 1.75 -1.26 -0.97 119.30 124.26 2kks s MET 76 Ca 0.31 1.24 0.15 0.00 -1.25 0.00 0.00 55.69 56.13 2kks s MET 76 Cb 0.06 -3.51 -0.13 0.00 2.84 0.00 0.00 34.83 34.09 2kks s MET 76 CO 0.10 -0.17 0.91 -0.07 -0.65 0.00 0.00 175.02 175.14 2kks h LEU 77 N 7.48 0.00 0.00 4.11 3.38 -1.12 -3.48 115.31 125.68 2kks h LEU 77 Ca -0.35 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 2kks h LEU 77 Cb 1.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kks h LEU 77 CO 0.80 0.69 0.00 0.61 0.09 0.00 0.00 178.44 180.63 2kks n GLY 78 N 1.40 0.00 3.27 0.83 0.00 -1.25 -2.18 105.19 107.27 2kks n GLY 78 Ca -0.09 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 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 1.20 0.00 1.61 2.20 -0.49 -1.72 114.94 113.75 2kks s ASN 79 Ca 0.00 -1.25 0.02 0.00 -0.94 0.00 0.00 52.86 50.69 2kks s ASN 79 Cb 0.00 0.14 -0.01 0.00 -2.00 0.00 0.00 41.25 39.38 2kks s ASN 79 CO 0.00 -0.63 -0.07 0.72 -2.94 0.00 0.00 177.10 174.19 2kks s PHE 80 N -3.69 0.59 -0.03 1.54 -0.71 -0.31 -0.46 117.98 114.91 2kks s PHE 80 Ca 0.29 -0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.01 2kks s PHE 80 Cb 0.07 -0.37 0.01 0.00 -1.21 0.00 0.00 43.02 41.51 2kks s PHE 80 CO 0.07 -0.02 0.07 -3.38 -1.34 0.00 0.00 175.22 170.63 2kks s HIS 81 N -0.27 -0.08 -0.06 3.49 -3.43 0.13 -0.74 115.29 114.32 2kks s HIS 81 Ca 0.01 0.21 0.03 0.00 -0.80 0.00 0.00 55.06 54.51 2kks s HIS 81 Cb -0.03 0.01 -0.02 0.00 -1.43 0.00 0.00 32.58 31.10 2kks s HIS 81 CO -0.00 -0.05 -0.13 -1.12 -2.00 0.00 0.00 174.74 171.44 2kks s SER 82 N 0.14 4.10 0.03 7.38 0.01 0.29 -0.36 113.70 125.29 2kks s SER 82 Ca -0.01 -0.20 0.07 0.00 1.31 0.00 0.00 55.95 57.12 2kks s SER 82 Cb -0.02 -1.00 -0.03 0.00 0.21 0.00 0.00 66.02 65.18 2kks s SER 82 CO -0.00 0.32 -0.18 -1.00 0.41 0.00 0.00 173.24 172.79 2kks s HIS 83 N -0.57 2.56 0.10 2.43 3.76 0.91 -2.93 115.29 121.56 2kks s HIS 83 Ca 0.08 -0.25 -0.30 0.00 -0.15 0.00 0.00 55.06 54.44 2kks s HIS 83 Cb -0.11 -1.47 -0.12 0.00 1.11 0.00 0.00 32.58 31.98 2kks s HIS 83 CO 0.01 0.24 1.62 -1.00 -0.85 0.00 0.00 174.74 174.77 2kks h PRO 84 N 4.60 -0.63 -0.09 8.40 0.13 -1.87 -1.96 132.00 140.58 2kks h PRO 84 Ca -0.47 0.04 -0.23 0.00 -0.87 0.00 0.00 66.00 64.47 2kks h PRO 84 Cb 1.15 0.14 -0.15 0.00 0.13 0.00 0.00 31.00 32.28 2kks h PRO 84 CO 0.48 -0.42 -0.51 0.00 -0.23 0.00 0.00 178.00 177.32 2kks n ALA 85 N -2.64 -1.34 -2.15 -0.56 0.00 -1.26 -3.17 120.51 109.40 2kks n ALA 85 Ca -0.09 -1.44 -0.09 0.00 0.00 0.00 0.00 53.44 51.82 2kks n ALA 85 Cb 0.34 -1.33 -0.10 0.00 0.00 0.00 0.00 19.45 18.36 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 0.66 0.21 0.51 0.00 -4.23 -1.26 -4.85 115.64 106.68 2kks s THR 86 Ca 0.32 -1.90 -0.23 0.00 -1.18 0.00 0.00 61.69 58.71 2kks s THR 86 Cb 0.22 -1.92 -0.06 0.00 1.34 0.00 0.00 72.50 72.08 2kks s THR 86 CO -0.24 -0.60 1.35 -2.84 -0.54 0.00 0.00 174.62 171.75 2kks s PRO 87 N -4.00 3.34 -1.50 3.99 0.02 -1.26 -4.59 135.00 131.00 2kks s PRO 87 Ca 0.20 2.22 -0.13 0.00 0.02 0.00 0.00 61.00 63.31 2kks s PRO 87 Cb 0.07 -2.37 0.01 0.00 0.02 0.00 0.00 34.50 32.23 2kks s PRO 87 CO -0.01 -1.03 2.42 0.00 -0.33 0.00 0.00 177.00 178.05 2kks n ALA 88 N -0.77 6.07 -2.97 -1.55 0.00 -1.26 -4.85 120.51 115.18 2kks n ALA 88 Ca 0.09 -3.79 -0.11 0.00 0.00 0.00 0.00 53.44 49.63 2kks n ALA 88 Cb 0.45 -3.50 -0.12 0.00 0.00 0.00 0.00 19.45 16.28 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 2.94 0.21 0.51 0.00 0.52 -1.26 -4.77 118.95 117.10 2kks s ARG 89 Ca 0.53 -0.22 -0.22 0.00 -0.52 0.00 0.00 55.73 55.30 2kks s ARG 89 Cb 0.15 0.08 -0.06 0.00 0.52 0.00 0.00 34.95 35.65 2kks s ARG 89 CO -0.08 -0.04 1.22 -1.25 0.02 0.00 0.00 175.30 175.17 2kks s PRO 90 N -0.69 3.42 0.32 3.54 0.04 -1.26 -5.06 135.00 135.32 2kks s PRO 90 Ca -0.08 1.90 0.03 0.00 0.04 0.00 0.00 61.00 62.90 2kks s PRO 90 Cb -0.05 -2.26 0.03 0.00 0.04 0.00 0.00 34.50 32.27 2kks s PRO 90 CO -0.00 -0.86 0.28 0.43 0.04 0.00 0.00 177.00 176.88 2kks n SER 91 N -0.88 1.84 -0.28 6.66 7.64 -1.26 -4.97 113.62 122.37 2kks n SER 91 Ca 0.09 -2.04 -0.02 0.00 1.01 0.00 0.00 58.87 57.92 2kks n SER 91 Cb 0.48 -0.07 0.16 0.00 -1.01 0.00 0.00 64.21 63.77 2kks n SER 91 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2kks h ALA 92 N 0.63 1.29 -0.77 -0.43 0.00 -1.99 -2.15 119.26 115.84 2kks h ALA 92 Ca -0.19 -0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 2kks h ALA 92 Cb 0.72 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2kks h ALA 92 CO 0.29 0.59 0.29 0.93 0.00 0.00 0.00 179.25 181.35 2kks h GLU 93 N 1.14 1.16 -0.78 0.00 3.07 -1.98 -1.04 114.58 116.14 2kks h GLU 93 Ca 0.29 -0.22 -0.01 0.00 -0.50 0.00 0.00 59.36 58.93 2kks h GLU 93 Cb -0.02 -0.18 -0.04 0.00 -0.84 0.00 0.00 28.75 27.67 2kks h GLU 93 CO -0.05 0.95 0.46 -0.44 -1.40 0.00 0.00 179.01 178.53 2kks h ASP 94 N 1.12 0.95 0.41 1.42 3.32 -1.79 -0.80 116.42 121.06 2kks h ASP 94 Ca 0.25 -0.07 -0.10 0.00 0.02 0.00 0.00 57.03 57.13 2kks h ASP 94 Cb 0.24 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2kks h ASP 94 CO -0.02 0.75 -0.46 0.50 -1.72 0.00 0.00 179.24 178.29 2kks h LYS 95 N 1.08 0.07 -0.06 3.56 3.64 -1.01 -2.52 116.57 121.32 2kks h LYS 95 Ca 0.28 -0.03 -0.13 0.00 -1.27 0.00 0.00 60.65 59.49 2kks h LYS 95 Cb -0.02 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.79 2kks h LYS 95 CO -0.05 0.51 -0.57 0.00 -2.27 0.00 0.00 179.45 177.08 2kks h ARG 96 N 0.05 0.19 -0.00 1.90 3.08 -0.51 -2.85 114.38 116.24 2kks h ARG 96 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2kks h ARG 96 Cb 0.84 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.90 2kks h ARG 96 CO 0.06 0.71 -0.02 1.28 -1.07 0.00 0.00 179.97 180.93 2kks n LEU 97 N -3.89 0.09 -4.51 3.04 4.77 -0.37 -4.59 117.00 111.54 2kks n LEU 97 Ca -0.02 0.17 -0.42 0.00 -0.03 0.00 0.00 56.01 55.71 2kks n LEU 97 Cb 0.59 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 2kks n LEU 97 CO 0.43 0.02 1.16 0.00 -1.33 0.00 0.00 177.39 177.67 2kks s ALA 98 N -2.43 2.94 -0.01 -1.18 0.00 -1.05 -4.80 121.76 115.23 2kks s ALA 98 Ca 0.33 -2.07 0.05 0.00 0.00 0.00 0.00 51.96 50.27 2kks s ALA 98 Cb 0.21 -4.23 -0.24 0.00 0.00 0.00 0.00 23.12 18.85 2kks s ALA 98 CO 0.44 -3.24 0.81 0.74 0.00 0.00 0.00 175.76 174.51 2kks h PHE 99 N 9.61 0.19 -3.62 0.00 0.04 -1.87 -3.47 116.94 117.82 2kks h PHE 99 Ca -0.02 -0.14 -0.36 0.00 2.80 0.00 0.00 57.97 60.25 2kks h PHE 99 Cb 1.03 -0.01 -0.18 0.00 2.20 0.00 0.00 35.95 39.00 2kks h PHE 99 CO 1.16 1.20 -0.74 0.16 -0.60 0.00 0.00 178.31 179.48 2kks s ASP 100 N -6.57 1.72 0.00 2.17 1.47 -1.26 -5.05 116.67 109.15 2kks s ASP 100 Ca -0.07 -0.83 0.28 0.00 1.18 0.00 0.00 52.55 53.11 2kks s ASP 100 Cb 0.08 -0.03 0.98 0.00 -0.34 0.00 0.00 42.92 43.61 2kks s ASP 100 CO 0.83 -0.22 1.70 -0.81 0.68 0.00 0.00 175.17 177.35 2kks n PRO 101 N 0.46 1.17 -0.04 2.11 -0.04 -1.26 -4.27 135.00 133.13 2kks n PRO 101 Ca -0.15 -0.64 -0.16 0.00 -0.04 0.00 0.00 63.50 62.51 2kks n PRO 101 Cb 0.58 -1.49 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 2kks n PRO 101 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kks n SER 102 N -0.35 1.46 -4.76 3.54 7.64 -1.26 -4.67 113.62 115.22 2kks n SER 102 Ca 0.16 0.19 -0.34 0.00 1.01 0.00 0.00 58.87 59.89 2kks n SER 102 Cb 0.33 -0.32 0.05 0.00 -1.01 0.00 0.00 64.21 63.26 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 -6.48 3.43 -0.17 -3.43 1.43 -1.26 -5.02 118.68 107.18 2kks s LEU 103 Ca -0.18 2.10 -0.08 0.00 -1.03 0.00 0.00 54.13 54.94 2kks s LEU 103 Cb 0.07 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.68 2kks s LEU 103 CO 0.77 -1.68 0.12 -0.55 0.23 0.00 0.00 176.35 175.23 2kks s SER 104 N -2.35 6.11 -0.40 2.29 0.15 -0.93 -4.67 113.70 113.91 2kks s SER 104 Ca 0.69 0.26 -0.05 0.00 0.70 0.00 0.00 55.95 57.55 2kks s SER 104 Cb -0.23 -2.04 0.09 0.00 -1.71 0.00 0.00 66.02 62.13 2kks s SER 104 CO 0.40 0.24 0.19 -0.31 1.20 0.00 0.00 173.24 174.96 2kks s TYR 105 N -0.02 3.43 -0.02 3.44 1.51 -0.65 -1.39 117.35 123.64 2kks s TYR 105 Ca 0.09 -1.96 -0.17 0.00 -1.01 0.00 0.00 57.07 54.01 2kks s TYR 105 Cb -0.11 -2.93 -0.05 0.00 -0.11 0.00 0.00 41.96 38.75 2kks s TYR 105 CO -0.00 -0.90 0.48 -0.51 -1.11 0.00 0.00 175.55 173.52 2kks s LEU 106 N 1.28 4.41 -0.18 -1.29 1.02 0.39 -0.48 118.68 123.84 2kks s LEU 106 Ca 0.04 0.99 0.01 0.00 0.02 0.00 0.00 54.13 55.19 2kks s LEU 106 Cb -0.22 -2.72 0.01 0.00 0.02 0.00 0.00 46.19 43.28 2kks s LEU 106 CO -0.01 0.19 -0.18 -0.63 0.02 0.00 0.00 176.35 175.74 2kks s ILE 107 N -0.43 2.28 -0.22 -0.59 1.01 0.14 -0.69 121.20 122.70 2kks s ILE 107 Ca 0.26 -0.87 -0.07 0.00 0.00 0.00 0.00 60.65 59.97 2kks s ILE 107 Cb -0.17 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 2kks s ILE 107 CO 0.14 0.52 0.07 -0.63 0.00 0.00 0.00 174.94 175.04 2kks s ILE 108 N 1.20 4.52 -0.21 2.92 1.01 0.51 -1.05 121.20 130.10 2kks s ILE 108 Ca 0.02 -0.11 -0.05 0.00 0.00 0.00 0.00 60.65 60.51 2kks s ILE 108 Cb -0.14 -3.08 -0.02 0.00 0.01 0.00 0.00 42.46 39.23 2kks s ILE 108 CO -0.09 0.39 0.00 -0.44 0.00 0.00 0.00 174.94 174.80 2kks s SER 109 N 1.10 4.78 -0.19 3.58 0.01 0.12 -0.06 113.70 123.05 2kks s SER 109 Ca 0.04 -0.24 0.11 0.00 1.31 0.00 0.00 55.95 57.17 2kks s SER 109 Cb -0.14 -1.83 0.63 0.00 0.21 0.00 0.00 66.02 64.89 2kks s SER 109 CO 0.03 0.03 1.46 0.18 0.41 0.00 0.00 173.24 175.36 2kks n LEU 110 N 4.45 4.67 0.16 2.44 7.99 -0.74 -2.71 117.00 133.26 2kks n LEU 110 Ca -0.17 -2.37 0.10 0.00 -0.01 0.00 0.00 56.01 53.55 2kks n LEU 110 Cb 0.52 -0.65 0.61 0.00 -0.11 0.00 0.00 43.42 43.79 2kks n LEU 110 CO 0.31 0.55 1.11 0.00 -1.51 0.00 0.00 177.39 177.84 2kks h ALA 111 N 3.50 2.05 -3.13 -1.18 0.00 -1.77 -3.26 119.26 115.46 2kks h ALA 111 Ca 0.01 -0.01 -0.62 0.00 0.00 0.00 0.00 54.91 54.29 2kks h ALA 111 Cb 1.66 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 19.02 2kks h ALA 111 CO 0.39 -0.09 -0.68 -2.00 0.00 0.00 0.00 179.25 176.88 2kks s GLU 112 N -5.13 1.75 0.62 0.00 2.56 -1.26 -4.98 118.70 112.26 2kks s GLU 112 Ca -0.06 -2.49 0.41 0.00 0.00 0.00 0.00 54.97 52.84 2kks s GLU 112 Cb 0.18 -2.88 2.16 0.00 2.00 0.00 0.00 34.13 35.59 2kks s GLU 112 CO 0.69 -1.17 2.26 -1.35 -0.56 0.00 0.00 175.26 175.13 2kks h PRO 113 N 6.36 0.00 0.00 4.30 0.11 -1.89 -0.38 132.00 140.49 2kks h PRO 113 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kks h PRO 113 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 2kks h PRO 113 CO 0.60 0.00 -0.78 1.96 -0.21 0.00 0.00 178.00 179.57 2kks h GLN 114 N 0.00 0.00 -1.97 1.05 1.08 -1.93 -3.39 115.11 109.95 2kks h GLN 114 Ca 0.00 0.00 -0.53 0.00 -1.45 0.00 0.00 58.65 56.67 2kks h GLN 114 Cb 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 27.48 27.18 2kks h GLN 114 CO 0.00 0.00 -1.00 1.63 -0.95 0.00 0.00 178.83 178.51 2kks n LYS 115 N -2.69 0.51 -1.79 1.46 4.76 -0.22 -5.11 118.16 115.09 2kks n LYS 115 Ca 0.01 -3.06 -0.43 0.00 -2.87 0.00 0.00 58.31 51.96 2kks n LYS 115 Cb 0.53 -1.40 -0.03 0.00 -1.84 0.00 0.00 35.03 32.29 2kks n LYS 115 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kks s PRO 116 N -0.53 3.62 -0.27 1.97 0.04 -0.79 -4.59 135.00 134.45 2kks s PRO 116 Ca 0.34 2.06 -0.19 0.00 0.04 0.00 0.00 61.00 63.25 2kks s PRO 116 Cb 0.12 -4.21 -0.02 0.00 0.04 0.00 0.00 34.50 30.43 2kks s PRO 116 CO -0.15 -1.54 0.55 0.08 0.04 0.00 0.00 177.00 175.99 2kks s VAL 117 N 6.26 5.03 -0.04 -0.36 1.01 -1.10 -4.92 120.40 126.29 2kks s VAL 117 Ca 0.88 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.84 2kks s VAL 117 Cb -0.33 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.16 2kks s VAL 117 CO 0.35 0.04 -0.22 0.00 0.00 0.00 0.00 175.10 175.28 2kks s LYS 119 N -0.57 1.07 -0.07 0.00 1.02 -0.22 -4.93 119.74 116.04 2kks s LYS 119 Ca 0.08 -1.50 0.05 0.00 0.02 0.00 0.00 55.97 54.62 2kks s LYS 119 Cb -0.11 -0.33 -0.01 0.00 -0.52 0.00 0.00 37.83 36.86 2kks s LYS 119 CO 0.00 -0.08 -0.24 -1.54 -0.92 0.00 0.00 175.35 172.58 2kks s SER 120 N -3.16 3.18 -0.06 2.83 1.04 -1.23 0.28 113.70 116.57 2kks s SER 120 Ca 0.21 -0.50 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2kks s SER 120 Cb 0.05 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.14 2kks s SER 120 CO 0.02 0.22 -0.16 -0.36 0.98 0.00 0.00 173.24 173.95 2kks s PHE 121 N -0.03 1.67 -0.47 5.02 0.08 0.37 0.39 117.98 125.01 2kks s PHE 121 Ca -0.07 -0.57 -0.17 0.00 0.12 0.00 0.00 56.93 56.24 2kks s PHE 121 Cb -0.15 -1.17 0.06 0.00 -0.57 0.00 0.00 43.02 41.19 2kks s PHE 121 CO 0.05 -0.24 0.47 -0.51 -0.10 0.00 0.00 175.22 174.89 2kks s LEU 122 N 0.35 5.27 -0.44 -0.37 1.43 0.13 -1.64 118.68 123.40 2kks s LEU 122 Ca -0.10 -1.07 -0.18 0.00 -1.03 0.00 0.00 54.13 51.74 2kks s LEU 122 Cb -0.14 -2.30 0.03 0.00 0.03 0.00 0.00 46.19 43.81 2kks s LEU 122 CO 0.04 -0.71 0.52 -0.63 0.23 0.00 0.00 176.35 175.80 2kks s ILE 123 N 2.04 4.99 0.57 -0.59 1.01 -1.26 0.08 121.20 128.03 2kks s ILE 123 Ca 0.09 -0.29 0.06 0.00 0.00 0.00 0.00 60.65 60.51 2kks s ILE 123 Cb -0.21 -4.13 0.06 0.00 0.01 0.00 0.00 42.46 38.18 2kks s ILE 123 CO 0.10 -0.55 0.49 -0.54 0.00 0.00 0.00 174.94 174.44 2kks s LYS 124 N 2.38 2.24 0.04 2.79 1.02 -0.42 -4.34 119.74 123.45 2kks s LYS 124 Ca 0.15 -2.00 -0.31 0.00 0.02 0.00 0.00 55.97 53.83 2kks s LYS 124 Cb -0.17 -2.18 -0.17 0.00 -0.52 0.00 0.00 37.83 34.79 2kks s LYS 124 CO 0.14 -0.72 1.34 -0.22 -0.92 0.00 0.00 175.35 174.98 2kks h LYS 125 N 0.60 -0.98 -0.65 1.68 3.64 -1.96 -3.26 116.57 115.64 2kks h LYS 125 Ca -0.35 0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.08 2kks h LYS 125 Cb 1.30 0.22 -0.03 0.00 -0.41 0.00 0.00 32.23 33.32 2kks h LYS 125 CO 0.54 -0.63 0.34 -0.44 -2.27 0.00 0.00 179.45 176.98 2kks h ASP 126 N -1.18 0.83 -5.77 4.20 5.19 -2.01 -3.47 116.42 114.20 2kks h ASP 126 Ca -0.10 -0.11 0.32 0.00 -0.62 0.00 0.00 57.03 56.52 2kks h ASP 126 Cb 0.80 -0.21 -0.08 0.00 0.18 0.00 0.00 39.33 40.01 2kks h ASP 126 CO 0.17 0.70 0.85 -0.83 -3.12 0.00 0.00 179.24 177.01 2kks s GLY 127 N -3.03 -0.21 -0.10 2.75 0.00 -1.23 -5.15 107.32 100.35 2kks s GLY 127 Ca -0.13 0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.74 2kks s GLY 127 CO 0.79 3.39 0.18 0.54 0.00 0.00 0.00 173.10 178.00 2kks s VAL 128 N -2.18 5.44 -0.12 1.40 0.11 -1.26 -1.30 120.40 122.49 2kks s VAL 128 Ca 0.23 0.31 0.01 0.00 -2.93 0.00 0.00 61.98 59.60 2kks s VAL 128 Cb 0.01 -3.45 -0.01 0.00 -1.53 0.00 0.00 36.38 31.40 2kks s VAL 128 CO -0.01 0.61 -0.15 -0.62 -3.33 0.00 0.00 175.10 171.60 2kks s ASP 129 N -1.00 3.86 -0.14 3.54 2.15 0.11 -4.95 116.67 120.24 2kks s ASP 129 Ca 0.16 -0.35 -0.25 0.00 0.43 0.00 0.00 52.55 52.54 2kks s ASP 129 Cb -0.13 -1.50 -0.02 0.00 -0.30 0.00 0.00 42.92 40.97 2kks s ASP 129 CO 0.05 0.18 0.79 -0.70 -0.17 0.00 0.00 175.17 175.32 2kks s GLU 130 N 0.24 4.33 -0.11 4.34 2.12 -1.26 0.19 118.70 128.55 2kks s GLU 130 Ca -0.10 0.96 -0.10 0.00 0.36 0.00 0.00 54.97 56.09 2kks s GLU 130 Cb -0.16 -3.54 -0.05 0.00 0.26 0.00 0.00 34.13 30.65 2kks s GLU 130 CO 0.06 -0.22 0.21 -2.00 -0.54 0.00 0.00 175.26 172.77 2kks s GLU 131 N 1.77 3.72 0.13 4.30 2.56 0.16 -4.95 118.70 126.39 2kks s GLU 131 Ca 0.38 -0.01 -0.15 0.00 0.00 0.00 0.00 54.97 55.19 2kks s GLU 131 Cb -0.17 -3.25 -0.07 0.00 2.00 0.00 0.00 34.13 32.64 2kks s GLU 131 CO 0.14 0.64 0.55 -1.83 -0.56 0.00 0.00 175.26 174.20 2kks s GLU 132 N -0.70 4.00 -0.15 4.30 -1.05 -1.26 -3.55 118.70 120.29 2kks s GLU 132 Ca 0.16 0.51 -0.03 0.00 -0.15 0.00 0.00 54.97 55.46 2kks s GLU 132 Cb -0.13 -2.98 -0.03 0.00 -0.44 0.00 0.00 34.13 30.56 2kks s GLU 132 CO 0.05 0.50 -0.03 0.42 0.95 0.00 0.00 175.26 177.15 2kks s ILE 133 N -1.41 3.95 -0.13 1.83 1.01 -1.26 -1.48 121.20 123.71 2kks s ILE 133 Ca 0.36 -0.34 -0.01 0.00 0.00 0.00 0.00 60.65 60.66 2kks s ILE 133 Cb -0.16 -2.72 -0.02 0.00 0.01 0.00 0.00 42.46 39.58 2kks s ILE 133 CO 0.19 0.51 -0.10 -0.63 0.00 0.00 0.00 174.94 174.91 2kks s ILE 134 N 0.19 3.35 -0.15 2.92 -1.09 0.85 -4.99 121.20 122.27 2kks s ILE 134 Ca -0.02 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 57.67 2kks s ILE 134 Cb -0.14 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.29 2kks s ILE 134 CO 0.03 0.53 0.46 -0.76 -1.23 0.00 0.00 174.94 173.96 2kks s LEU 135 N 0.18 4.22 0.32 2.97 1.43 -1.25 -0.96 118.68 125.60 2kks s LEU 135 Ca -0.06 0.71 0.09 0.00 -1.03 0.00 0.00 54.13 53.84 2kks s LEU 135 Cb -0.15 -2.64 -0.06 0.00 0.03 0.00 0.00 46.19 43.37 2kks s LEU 135 CO 0.04 -0.05 -0.09 -0.54 0.23 0.00 0.00 176.35 175.94 2kks s LYS 136 N 0.96 1.73 -0.00 1.70 1.02 -0.15 -4.95 119.74 120.04 2kks s LYS 136 Ca 0.24 -1.88 0.14 0.00 0.02 0.00 0.00 55.97 54.49 2kks s LYS 136 Cb -0.15 -1.55 -0.17 0.00 -0.52 0.00 0.00 37.83 35.44 2kks s LYS 136 CO 0.09 0.13 0.57 -1.91 -0.92 0.00 0.00 175.35 173.31 2kks n GLU 137 N -0.72 1.97 -3.68 1.68 4.07 -1.26 -3.63 120.64 119.07 2kks n GLU 137 Ca -0.05 -0.02 -0.33 0.00 -0.06 0.00 0.00 57.16 56.69 2kks n GLU 137 Cb 0.63 -1.21 -0.05 0.00 -0.06 0.00 0.00 31.44 30.75 2kks n GLU 137 CO 0.00 0.00 0.00 -1.83 -0.06 0.00 0.00 177.13 175.24 2kks s GLU 138 N -2.46 3.64 0.26 5.31 -1.05 -1.26 -5.03 118.70 118.11 2kks s GLU 138 Ca 0.04 -0.02 0.03 0.00 -0.15 0.00 0.00 54.97 54.87 2kks s GLU 138 Cb 0.11 -2.98 0.03 0.00 -0.44 0.00 0.00 34.13 30.85 2kks s GLU 138 CO 0.60 0.56 0.26 1.28 0.95 0.00 0.00 175.26 178.91 2kks n LEU 139 N 0.69 0.00 -4.72 1.83 4.77 -1.26 -4.79 117.00 113.52 2kks n LEU 139 Ca -0.07 -1.23 -0.40 0.00 -0.03 0.00 0.00 56.01 54.28 2kks n LEU 139 Cb 0.52 -0.09 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2kks n LEU 139 CO 0.44 -0.48 0.94 1.21 -1.33 0.00 0.00 177.39 178.17 2kks n GLU 140 N -1.29 1.88 0.01 3.23 4.07 -1.26 -4.87 120.64 122.41 2kks n GLU 140 Ca 0.02 0.68 0.08 0.00 -0.06 0.00 0.00 57.16 57.88 2kks n GLU 140 Cb 0.28 -2.49 0.35 0.00 -0.06 0.00 0.00 31.44 29.52 2kks n GLU 140 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2kks n HIS 141 N -0.55 0.08 1.41 4.31 8.25 -1.26 -0.42 115.22 127.04 2kks n HIS 141 Ca 0.08 0.03 0.14 0.00 -0.26 0.00 0.00 57.72 57.70 2kks n HIS 141 Cb 0.42 -0.55 0.52 0.00 1.12 0.00 0.00 29.99 31.50 2kks n HIS 141 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2kks n HIS 142 N -1.57 0.00 -3.72 4.41 8.25 -1.26 -4.54 115.22 116.79 2kks n HIS 142 Ca 0.04 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.12 2kks n HIS 142 Cb 0.19 -0.10 -0.11 0.00 1.12 0.00 0.00 29.99 31.10 2kks n HIS 142 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2kks s HIS 143 N -2.32 3.54 -0.68 4.41 3.76 0.44 -4.96 115.29 119.48 2kks s HIS 143 Ca 0.31 -2.30 0.00 0.00 -0.15 0.00 0.00 55.06 52.92 2kks s HIS 143 Cb 0.20 -3.30 0.00 0.00 1.11 0.00 0.00 32.58 30.60 2kks s HIS 143 CO 0.45 -0.97 0.54 -2.39 -0.85 0.00 0.00 174.74 171.51 2kks n HIS 144 N 4.60 0.00 -1.20 1.40 1.44 -1.26 -4.70 115.22 115.50 2kks n HIS 144 Ca -0.03 -0.13 0.00 0.00 -2.01 0.00 0.00 57.72 55.55 2kks n HIS 144 Cb 0.41 -0.13 0.00 0.00 0.12 0.00 0.00 29.99 30.39 2kks n HIS 144 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2kks n HIS 145 N 0.25 -2.93 0.31 -1.40 -0.00 -1.26 -5.21 115.22 104.98 2kks n HIS 145 Ca 0.00 1.59 0.04 0.00 0.46 0.00 0.00 57.72 59.80 2kks n HIS 145 Cb 0.27 -2.87 0.03 0.00 -0.12 0.00 0.00 29.99 27.30 2kks n HIS 145 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38