#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 4.35 -0.14 1.12 2.07 -0.63 -0.96 121.20 127.01 2kks s ILE 2 Ca 0.00 -0.23 0.02 0.00 -1.41 0.00 0.00 60.65 59.03 2kks s ILE 2 Cb 0.00 -2.85 0.01 0.00 0.13 0.00 0.00 42.46 39.76 2kks s ILE 2 CO 0.00 0.59 -0.18 -0.89 -1.91 0.00 0.00 174.94 172.55 2kks s THR 3 N -0.70 1.78 0.12 4.00 2.01 0.16 -0.56 115.64 122.44 2kks s THR 3 Ca 0.11 -0.80 -0.02 0.00 0.31 0.00 0.00 61.69 61.29 2kks s THR 3 Cb -0.12 -1.61 -0.03 0.00 0.01 0.00 0.00 72.50 70.75 2kks s THR 3 CO 0.02 0.49 0.07 -1.48 -0.69 0.00 0.00 174.62 173.04 2kks s LEU 4 N 1.05 1.79 0.46 4.42 0.05 -1.07 -1.61 118.68 123.77 2kks s LEU 4 Ca -0.03 -1.11 -0.01 0.00 0.05 0.00 0.00 54.13 53.03 2kks s LEU 4 Cb -0.15 0.42 -0.01 0.00 -2.05 0.00 0.00 46.19 44.40 2kks s LEU 4 CO -0.05 -0.73 0.70 0.42 -0.55 0.00 0.00 176.35 176.14 2kks s THR 5 N -4.01 4.21 0.26 5.48 -4.23 -1.26 -1.65 115.64 114.45 2kks s THR 5 Ca 0.19 -0.35 -0.02 0.00 -1.18 0.00 0.00 61.69 60.34 2kks s THR 5 Cb 0.07 -3.57 0.26 0.00 1.34 0.00 0.00 72.50 70.60 2kks s THR 5 CO -0.01 -0.44 1.85 0.50 -0.54 0.00 0.00 174.62 175.98 2kks h LYS 6 N 0.35 1.01 -0.25 3.99 3.11 -1.48 -0.42 116.57 122.88 2kks h LYS 6 Ca -0.47 -0.06 0.03 0.00 -2.81 0.00 0.00 60.65 57.34 2kks h LYS 6 Cb 1.24 -0.23 -0.03 0.00 -1.00 0.00 0.00 32.23 32.22 2kks h LYS 6 CO 0.59 0.67 0.08 -0.22 -2.81 0.00 0.00 179.45 177.75 2kks h LYS 7 N 1.04 0.18 -0.74 1.90 3.11 -1.84 0.23 116.57 120.45 2kks h LYS 7 Ca 0.44 -0.01 0.01 0.00 -2.81 0.00 0.00 60.65 58.28 2kks h LYS 7 Cb 0.30 -0.04 -0.04 0.00 -1.00 0.00 0.00 32.23 31.45 2kks h LYS 7 CO -0.21 0.12 0.49 1.96 -2.81 0.00 0.00 179.45 178.99 2kks h GLN 8 N 0.18 0.96 -0.45 1.90 1.08 -1.71 0.12 115.11 117.20 2kks h GLN 8 Ca 0.11 -0.06 0.00 0.00 -1.45 0.00 0.00 58.65 57.26 2kks h GLN 8 Cb 0.09 -0.22 -0.02 0.00 -0.05 0.00 0.00 27.48 27.28 2kks h GLN 8 CO -0.12 0.63 0.29 1.98 -0.95 0.00 0.00 178.83 180.67 2kks h MET 9 N 0.99 0.59 -0.89 1.46 4.05 -0.63 -1.20 114.93 119.29 2kks h MET 9 Ca 0.28 -0.04 -0.01 0.00 -0.28 0.00 0.00 59.70 59.65 2kks h MET 9 Cb -0.09 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 30.54 2kks h MET 9 CO -0.07 0.40 0.50 0.93 0.23 0.00 0.00 176.91 178.89 2kks h GLU 10 N 0.61 1.23 -0.63 0.39 5.08 0.05 0.36 114.58 121.66 2kks h GLU 10 Ca 0.16 -0.13 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 2kks h GLU 10 Cb -0.06 -0.25 -0.03 0.00 0.50 0.00 0.00 28.75 28.91 2kks h GLU 10 CO -0.03 0.89 0.41 0.93 -1.00 0.00 0.00 179.01 180.20 2kks h GLU 11 N 1.24 0.81 -0.11 2.33 5.08 -0.25 0.25 114.58 123.92 2kks h GLU 11 Ca 0.31 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 2kks h GLU 11 Cb 0.01 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 29.07 2kks h GLU 11 CO -0.05 0.54 -0.11 0.52 -1.00 0.00 0.00 179.01 178.90 2kks h MET 12 N 0.83 0.27 -0.61 2.33 2.86 -0.68 -2.71 114.93 117.21 2kks h MET 12 Ca 0.24 -0.14 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 2kks h MET 12 Cb -0.07 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 31.56 2kks h MET 12 CO -0.06 0.68 0.38 -0.07 1.06 0.00 0.00 176.91 178.90 2kks h LEU 13 N -0.14 0.63 -0.70 1.22 3.38 -0.07 0.19 115.31 119.82 2kks h LEU 13 Ca 0.02 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2kks h LEU 13 Cb 0.63 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.22 2kks h LEU 13 CO 0.03 0.44 0.33 0.00 0.09 0.00 0.00 178.44 179.32 2kks h ALA 14 N 1.26 0.90 -0.47 1.53 0.00 -0.57 -1.20 119.26 120.72 2kks h ALA 14 Ca 0.24 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.88 2kks h ALA 14 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2kks h ALA 14 CO -0.09 0.48 -0.21 1.25 0.00 0.00 0.00 179.25 180.67 2kks h HIS 15 N 0.98 1.09 0.23 0.00 -0.00 -1.07 -1.37 115.15 115.00 2kks h HIS 15 Ca 0.24 -0.26 -0.01 0.00 -0.00 0.00 0.00 60.37 60.34 2kks h HIS 15 Cb 0.13 -0.26 0.00 0.00 -0.00 0.00 0.00 27.41 27.29 2kks h HIS 15 CO 0.01 1.07 -0.12 0.00 -0.00 0.00 0.00 177.93 178.88 2kks h ALA 16 N 0.92 -0.32 -0.16 5.26 0.00 -0.27 -1.67 119.26 123.02 2kks h ALA 16 Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2kks h ALA 16 Cb 0.78 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2kks h ALA 16 CO 0.06 -0.68 -0.21 0.00 0.00 0.00 0.00 179.25 178.42 2kks h ARG 17 N -0.32 0.27 -0.68 0.00 3.08 -1.23 -2.51 114.38 112.99 2kks h ARG 17 Ca -0.03 -0.08 0.02 0.00 0.07 0.00 0.00 59.98 59.96 2kks h ARG 17 Cb 0.26 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 2kks h ARG 17 CO 0.04 0.47 0.43 0.37 -1.07 0.00 0.00 179.97 180.22 2kks h GLN 18 N 0.25 0.83 -0.58 0.04 4.15 -0.90 -3.06 115.11 115.84 2kks h GLN 18 Ca 0.04 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.41 2kks h GLN 18 Cb 0.52 -0.19 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2kks h GLN 18 CO 0.03 0.55 0.00 0.00 -1.93 0.00 0.00 178.83 177.48 2kks n ALA 19 N -2.30 3.61 -1.89 3.38 0.00 -0.66 -4.96 120.51 117.69 2kks n ALA 19 Ca 0.07 -1.86 -0.41 0.00 0.00 0.00 0.00 53.44 51.24 2kks n ALA 19 Cb 0.06 -1.06 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.52 4.49 -0.47 0.00 1.43 -1.02 -1.40 118.68 119.20 2kks s LEU 20 Ca 0.53 2.31 -0.16 0.00 -1.03 0.00 0.00 54.13 55.78 2kks s LEU 20 Cb 0.39 -3.62 0.07 0.00 0.03 0.00 0.00 46.19 43.06 2kks s LEU 20 CO 0.18 -0.29 0.41 -2.16 0.23 0.00 0.00 176.35 174.71 2kks s PRO 21 N -0.96 2.99 0.17 1.29 0.04 -1.26 -5.08 135.00 132.18 2kks s PRO 21 Ca 0.49 -1.32 0.03 0.00 0.04 0.00 0.00 61.00 60.23 2kks s PRO 21 Cb -0.33 -4.13 -0.01 0.00 0.04 0.00 0.00 34.50 30.07 2kks s PRO 21 CO 0.41 -1.04 0.17 0.09 0.04 0.00 0.00 177.00 176.67 2kks n ASN 22 N 5.26 -0.44 0.18 6.66 3.02 -0.49 -4.59 115.26 124.87 2kks n ASN 22 Ca -0.12 -2.05 0.07 0.00 -0.03 0.00 0.00 54.58 52.45 2kks n ASN 22 Cb 0.44 0.94 0.20 0.00 -0.61 0.00 0.00 39.78 40.75 2kks n ASN 22 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 2kks h GLU 23 N 0.00 0.00 -6.69 3.52 4.22 -1.63 -3.33 114.58 110.67 2kks h GLU 23 Ca -0.12 0.00 -0.54 0.00 0.08 0.00 0.00 59.36 58.78 2kks h GLU 23 Cb 0.59 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 29.73 2kks h GLU 23 CO 0.17 0.33 -0.90 0.00 -2.18 0.00 0.00 179.01 176.43 2kks n ALA 24 N -2.21 -1.91 -2.49 2.92 0.00 -1.26 -1.89 120.51 113.68 2kks n ALA 24 Ca 0.02 -0.27 -0.24 0.00 0.00 0.00 0.00 53.44 52.94 2kks n ALA 24 Cb 0.60 -1.56 -0.08 0.00 0.00 0.00 0.00 19.45 18.41 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 -1.13 3.23 3.39 0.00 0.00 -1.06 -2.68 105.19 106.94 2kks n GLY 26 Ca -0.02 -0.29 -0.21 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.04 0.99 1.43 0.52 -2.92 118.68 121.20 2kks s LEU 27 Ca 0.00 -1.01 0.04 0.00 -1.03 0.00 0.00 54.13 52.14 2kks s LEU 27 Cb 0.00 -0.84 -0.00 0.00 0.03 0.00 0.00 46.19 45.38 2kks s LEU 27 CO 0.00 -0.08 -0.17 -0.76 0.23 0.00 0.00 176.35 175.56 2kks s LEU 28 N -3.31 1.93 0.23 1.79 1.43 -0.26 -0.39 118.68 120.10 2kks s LEU 28 Ca 0.24 -0.35 0.10 0.00 -1.03 0.00 0.00 54.13 53.08 2kks s LEU 28 Cb -0.03 -0.98 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 2kks s LEU 28 CO 0.10 0.16 -0.17 -0.83 0.23 0.00 0.00 176.35 175.83 2kks s GLY 29 N 0.01 1.61 0.00 -3.19 0.00 0.44 -1.69 107.32 104.50 2kks s GLY 29 Ca -0.03 -1.72 0.00 0.00 0.00 0.00 0.00 44.72 42.97 2kks s GLY 29 CO 0.02 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.92 2kks n GLY 30 N -0.37 -0.21 3.19 0.20 0.00 -0.01 -1.67 105.19 106.32 2kks n GLY 30 Ca -0.08 -0.58 -0.31 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.28 2.78 -0.08 1.61 1.81 -0.39 -0.48 118.95 122.90 2kks s ARG 31 Ca 0.00 -0.80 0.05 0.00 -1.72 0.00 0.00 55.73 53.26 2kks s ARG 31 Cb 0.00 -2.13 -0.01 0.00 -0.45 0.00 0.00 34.95 32.36 2kks s ARG 31 CO 0.00 0.17 -0.23 -0.98 -0.68 0.00 0.00 175.30 173.58 2kks s ARG 32 N 0.36 2.82 0.38 3.54 1.70 -1.26 -0.17 118.95 126.32 2kks s ARG 32 Ca -0.17 -0.87 0.08 0.00 -0.47 0.00 0.00 55.73 54.30 2kks s ARG 32 Cb -0.17 -2.27 -0.06 0.00 -0.57 0.00 0.00 34.95 31.88 2kks s ARG 32 CO 0.08 0.30 0.11 0.34 -1.08 0.00 0.00 175.30 175.04 2kks s ASP 33 N 0.06 4.30 0.41 -2.89 2.15 0.14 -5.01 116.67 115.83 2kks s ASP 33 Ca -0.10 -1.06 0.08 0.00 0.43 0.00 0.00 52.55 51.90 2kks s ASP 33 Cb -0.15 -0.51 0.85 0.00 -0.30 0.00 0.00 42.92 42.81 2kks s ASP 33 CO 0.06 -0.42 2.01 1.23 -0.17 0.00 0.00 175.17 177.88 2kks h GLY 34 N 1.59 0.44 0.07 2.66 0.00 -2.01 -3.25 103.07 102.57 2kks h GLY 34 Ca -0.43 -0.20 -0.39 0.00 0.00 0.00 0.00 47.33 46.32 2kks h GLY 34 CO 0.70 0.19 -2.43 1.22 0.00 0.00 0.00 176.54 176.22 2kks n ASP 35 N -4.41 1.96 -4.44 0.19 8.00 -1.26 -4.94 116.55 111.66 2kks n ASP 35 Ca 0.01 -0.10 -0.25 0.00 0.71 0.00 0.00 54.79 55.16 2kks n ASP 35 Cb 0.14 -0.44 -0.11 0.00 -0.02 0.00 0.00 41.12 40.69 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 -6.56 3.44 -0.10 -2.24 1.01 -1.23 -0.36 116.67 110.64 2kks s ASP 36 Ca -0.33 -0.95 0.00 0.00 0.71 0.00 0.00 52.55 51.98 2kks s ASP 36 Cb 0.09 -0.27 0.02 0.00 1.01 0.00 0.00 42.92 43.77 2kks s ASP 36 CO 0.62 0.07 -0.08 -0.13 0.21 0.00 0.00 175.17 175.85 2kks s ARG 37 N -3.11 1.50 -0.28 8.23 3.00 -0.13 0.27 118.95 128.44 2kks s ARG 37 Ca 0.25 -0.27 -0.02 0.00 0.00 0.00 0.00 55.73 55.69 2kks s ARG 37 Cb -0.06 -1.47 0.04 0.00 0.00 0.00 0.00 34.95 33.45 2kks s ARG 37 CO 0.12 -0.18 -0.02 -1.58 0.00 0.00 0.00 175.30 173.63 2kks s TRP 38 N 1.40 3.17 -0.25 -0.53 0.51 0.76 0.38 118.94 124.38 2kks s TRP 38 Ca -0.01 -1.69 -0.15 0.00 -2.12 0.00 0.00 56.10 52.13 2kks s TRP 38 Cb -0.13 -2.09 -0.04 0.00 -0.81 0.00 0.00 33.47 30.39 2kks s TRP 38 CO -0.05 -0.76 0.36 0.08 -0.51 0.00 0.00 176.95 176.07 2kks s VAL 39 N 1.30 5.20 0.00 4.03 1.01 -0.63 -1.27 120.40 130.04 2kks s VAL 39 Ca -0.03 0.55 0.00 0.00 0.00 0.00 0.00 61.98 62.51 2kks s VAL 39 Cb -0.18 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.51 2kks s VAL 39 CO -0.02 0.19 0.00 -1.84 0.00 0.00 0.00 175.10 173.43 2kks n GLU 40 N 5.07 2.13 -5.00 2.72 -0.00 -0.90 -4.63 120.64 120.03 2kks n GLU 40 Ca -0.09 0.00 -0.32 0.00 -0.00 0.00 0.00 57.16 56.75 2kks n GLU 40 Cb 0.51 -0.95 -0.16 0.00 -0.00 0.00 0.00 31.44 30.84 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 -1.87 3.16 -0.10 3.44 6.06 -0.67 -5.01 118.95 123.96 2kks s ARG 41 Ca 0.00 -0.78 0.01 0.00 -2.50 0.00 0.00 55.73 52.46 2kks s ARG 41 Cb 0.00 -2.45 -0.02 0.00 0.06 0.00 0.00 34.95 32.54 2kks s ARG 41 CO 0.00 0.22 -0.14 0.08 -2.50 0.00 0.00 175.30 172.97 2kks s VAL 42 N 0.28 3.04 -0.62 7.11 1.01 -1.26 -0.42 120.40 129.54 2kks s VAL 42 Ca -0.13 -0.69 0.03 0.00 0.00 0.00 0.00 61.98 61.19 2kks s VAL 42 Cb -0.17 -2.24 0.15 0.00 0.00 0.00 0.00 36.38 34.12 2kks s VAL 42 CO 0.07 0.55 0.39 -0.31 0.00 0.00 0.00 175.10 175.80 2kks s TYR 43 N -0.06 3.38 -0.31 5.22 2.02 0.48 -4.99 117.35 123.08 2kks s TYR 43 Ca -0.03 -3.17 -0.29 0.00 -0.37 0.00 0.00 57.07 53.21 2kks s TYR 43 Cb -0.14 -2.85 0.00 0.00 -0.40 0.00 0.00 41.96 38.57 2kks s TYR 43 CO 0.04 -0.69 1.27 -1.25 -1.57 0.00 0.00 175.55 173.35 2kks s PRO 44 N -0.72 3.92 0.53 -1.71 0.04 -1.26 -0.36 135.00 135.44 2kks s PRO 44 Ca 0.20 1.19 0.05 0.00 0.04 0.00 0.00 61.00 62.48 2kks s PRO 44 Cb -0.17 -3.87 0.05 0.00 0.04 0.00 0.00 34.50 30.55 2kks s PRO 44 CO -0.06 -1.12 0.40 1.28 0.04 0.00 0.00 177.00 177.54 2kks n LEU 45 N 7.58 0.00 -4.38 -3.56 4.77 -1.09 -4.97 117.00 115.35 2kks n LEU 45 Ca 0.14 -2.76 -0.24 0.00 -0.03 0.00 0.00 56.01 53.12 2kks n LEU 45 Cb 0.47 -0.04 -0.11 0.00 -2.33 0.00 0.00 43.42 41.40 2kks n LEU 45 CO 0.63 -0.58 -0.51 0.21 -1.33 0.00 0.00 177.39 175.82 2kks s ASN 46 N -4.12 3.07 -0.62 -1.43 2.47 -1.26 -4.25 114.94 108.81 2kks s ASN 46 Ca 0.30 -0.86 -0.28 0.00 0.42 0.00 0.00 52.86 52.44 2kks s ASN 46 Cb -0.02 -0.21 0.02 0.00 -1.45 0.00 0.00 41.25 39.59 2kks s ASN 46 CO 0.19 0.05 1.32 0.20 -3.72 0.00 0.00 177.10 175.14 2kks s ASN 47 N -2.67 6.22 0.35 -4.21 -0.87 -1.26 -4.84 114.94 107.66 2kks s ASN 47 Ca 0.18 0.04 0.04 0.00 -1.57 0.00 0.00 52.86 51.55 2kks s ASN 47 Cb -0.07 -2.55 0.68 0.00 -0.02 0.00 0.00 41.25 39.29 2kks s ASN 47 CO 0.08 -1.68 1.99 -0.07 -2.57 0.00 0.00 177.10 174.85 2kks h LEU 48 N 12.77 0.70 -1.81 0.60 -0.00 -1.89 -1.87 115.31 123.82 2kks h LEU 48 Ca -0.26 -0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 57.60 2kks h LEU 48 Cb 1.07 -0.16 -0.00 0.00 -0.00 0.00 0.00 40.66 41.57 2kks h LEU 48 CO 1.21 0.48 -0.04 0.44 -0.00 0.00 0.00 178.44 180.53 2kks h ASP 49 N 0.82 0.00 -0.13 -0.43 5.19 -1.89 -3.46 116.42 116.52 2kks h ASP 49 Ca 0.27 0.00 -0.06 0.00 -0.62 0.00 0.00 57.03 56.62 2kks h ASP 49 Cb 0.07 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.55 2kks h ASP 49 CO -0.08 0.04 -0.05 1.67 -3.12 0.00 0.00 179.24 177.71 2kks n GLN 50 N -3.21 -1.44 -4.18 3.56 -0.06 -0.70 -4.98 117.38 106.36 2kks n GLN 50 Ca -0.01 0.50 -0.33 0.00 -2.00 0.00 0.00 57.00 55.16 2kks n GLN 50 Cb 0.26 -4.64 -0.08 0.00 -4.06 0.00 0.00 30.24 21.72 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 -0.20 0.00 0.00 177.06 175.74 2kks s SER 51 N -2.14 5.49 0.32 1.69 0.01 -1.26 -5.02 113.70 112.78 2kks s SER 51 Ca 0.00 0.12 0.15 0.00 1.31 0.00 0.00 55.95 57.53 2kks s SER 51 Cb 0.00 -1.55 0.50 0.00 0.21 0.00 0.00 66.02 65.18 2kks s SER 51 CO 0.00 0.30 1.66 1.55 0.41 0.00 0.00 173.24 177.16 2kks h PRO 52 N 4.39 0.00 -0.23 12.44 0.13 -1.93 -3.14 132.00 143.66 2kks h PRO 52 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kks h PRO 52 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kks h PRO 52 CO 0.59 0.50 0.00 0.39 -0.23 0.00 0.00 178.00 179.25 2kks n GLU 53 N -3.62 1.92 -4.53 0.86 -0.58 -1.26 -2.53 120.64 110.89 2kks n GLU 53 Ca -0.00 -1.81 -0.24 0.00 -0.42 0.00 0.00 57.16 54.68 2kks n GLU 53 Cb 0.57 -1.33 -0.14 0.00 -0.57 0.00 0.00 31.44 29.98 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 -1.14 1.72 -0.29 -0.32 3.76 -1.19 -4.84 115.29 112.98 2kks s HIS 54 Ca 0.24 -0.38 0.04 0.00 -0.15 0.00 0.00 55.06 54.81 2kks s HIS 54 Cb 0.15 -1.01 0.19 0.00 1.11 0.00 0.00 32.58 33.02 2kks s HIS 54 CO 0.20 0.10 0.56 0.12 -0.85 0.00 0.00 174.74 174.88 2kks s PHE 55 N -0.87 -1.68 -2.51 1.40 5.36 -1.26 -4.46 117.98 113.95 2kks s PHE 55 Ca 0.06 1.09 0.25 0.00 -0.96 0.00 0.00 56.93 57.38 2kks s PHE 55 Cb -0.09 0.29 0.81 0.00 -0.34 0.00 0.00 43.02 43.69 2kks s PHE 55 CO 0.02 -1.03 1.60 0.43 -1.46 0.00 0.00 175.22 174.78 2kks n SER 56 N 5.41 1.88 -0.72 6.13 7.64 -1.26 -5.05 113.62 127.66 2kks n SER 56 Ca 0.03 -1.66 0.00 0.00 1.01 0.00 0.00 58.87 58.25 2kks n SER 56 Cb 0.53 -0.05 0.00 0.00 -1.01 0.00 0.00 64.21 63.68 2kks n SER 56 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 2kks n MET 57 N 0.47 0.00 -4.10 1.43 1.56 -1.26 -4.88 117.12 110.34 2kks n MET 57 Ca 0.18 0.00 -0.15 0.00 -0.27 0.00 0.00 57.70 57.45 2kks n MET 57 Cb 0.40 0.00 -0.14 0.00 2.15 0.00 0.00 33.22 35.62 2kks n MET 57 CO 0.00 0.00 0.00 0.34 -0.73 0.00 0.00 175.97 175.58 2kks s ASP 58 N -4.00 0.50 0.17 6.12 2.15 -1.26 -4.80 116.67 115.55 2kks s ASP 58 Ca 0.00 -0.08 0.04 0.00 0.43 0.00 0.00 52.55 52.94 2kks s ASP 58 Cb 0.00 -0.06 0.01 0.00 -0.30 0.00 0.00 42.92 42.57 2kks s ASP 58 CO 0.00 0.05 1.39 -0.65 -0.17 0.00 0.00 175.17 175.79 2kks h PRO 59 N 6.08 0.16 -0.37 4.34 0.11 -1.99 -2.58 132.00 137.76 2kks h PRO 59 Ca -0.28 -0.17 -0.15 0.00 0.11 0.00 0.00 66.00 65.51 2kks h PRO 59 Cb 1.19 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 2kks h PRO 59 CO 0.50 0.92 -0.37 0.00 -0.21 0.00 0.00 178.00 178.84 2kks h ARG 60 N 0.09 0.87 -0.61 1.05 3.08 -1.99 -0.32 114.38 116.55 2kks h ARG 60 Ca -0.04 -0.45 -0.09 0.00 0.07 0.00 0.00 59.98 59.48 2kks h ARG 60 Cb 1.49 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.52 2kks h ARG 60 CO 0.13 1.09 0.04 0.93 -1.07 0.00 0.00 179.97 181.09 2kks h GLU 61 N 0.72 1.04 -0.09 0.04 4.39 -1.99 -1.85 114.58 116.84 2kks h GLU 61 Ca 0.06 -0.30 0.00 0.00 0.34 0.00 0.00 59.36 59.46 2kks h GLU 61 Cb 0.95 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 29.48 2kks h GLU 61 CO 0.09 0.99 0.06 1.96 -1.16 0.00 0.00 179.01 180.95 2kks h GLN 62 N 0.96 0.12 -0.95 2.33 4.20 -1.12 0.22 115.11 120.87 2kks h GLN 62 Ca 0.18 -0.01 0.05 0.00 0.06 0.00 0.00 58.65 58.93 2kks h GLN 62 Cb 0.49 -0.03 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 2kks h GLN 62 CO 0.02 0.09 0.61 1.25 -0.67 0.00 0.00 178.83 180.13 2kks h LEU 63 N 0.11 1.01 -0.64 1.46 5.85 -0.91 0.19 115.31 122.36 2kks h LEU 63 Ca 0.03 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.67 2kks h LEU 63 Cb -0.00 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 2kks h LEU 63 CO -0.01 0.67 0.08 0.74 -0.34 0.00 0.00 178.44 179.59 2kks h THR 64 N 1.16 1.26 -0.64 1.05 2.02 -1.05 -2.42 112.91 114.29 2kks h THR 64 Ca 0.39 -1.06 -0.09 0.00 0.77 0.00 0.00 66.41 66.42 2kks h THR 64 Cb 0.06 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 2kks h THR 64 CO -0.14 0.39 0.05 0.00 0.37 0.00 0.00 175.52 176.19 2kks h ALA 65 N 1.03 0.87 -0.82 6.16 0.00 0.29 -1.72 119.26 125.07 2kks h ALA 65 Ca 0.19 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2kks h ALA 65 Cb 0.47 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.98 2kks h ALA 65 CO 0.02 0.67 0.54 0.28 0.00 0.00 0.00 179.25 180.76 2kks h VAL 66 N 1.02 1.20 -0.39 0.00 2.07 -0.52 0.22 116.25 119.84 2kks h VAL 66 Ca 0.19 -0.38 -0.03 0.00 0.82 0.00 0.00 66.70 67.30 2kks h VAL 66 Cb 0.51 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.27 2kks h VAL 66 CO 0.02 0.20 0.13 0.50 0.02 0.00 0.00 177.57 178.44 2kks h LYS 67 N 1.10 0.60 -0.11 1.57 3.64 -1.10 0.10 116.57 122.38 2kks h LYS 67 Ca 0.30 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.56 2kks h LYS 67 Cb -0.11 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 2kks h LYS 67 CO -0.07 0.60 0.06 0.22 -2.27 0.00 0.00 179.45 177.99 2kks h ASP 68 N 0.48 0.13 -0.22 4.20 3.58 -0.93 0.13 116.42 123.78 2kks h ASP 68 Ca 0.13 -0.05 0.01 0.00 0.42 0.00 0.00 57.03 57.53 2kks h ASP 68 Cb 0.24 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.25 2kks h ASP 68 CO -0.01 0.14 0.13 -0.03 -2.88 0.00 0.00 179.24 176.60 2kks h MET 69 N 0.11 0.27 0.00 0.28 4.05 -0.41 -2.13 114.93 117.10 2kks h MET 69 Ca 0.04 -0.02 -0.07 0.00 -0.28 0.00 0.00 59.70 59.37 2kks h MET 69 Cb 0.03 -0.06 -0.01 0.00 -0.80 0.00 0.00 31.60 30.76 2kks h MET 69 CO -0.01 0.18 -0.33 -0.09 0.23 0.00 0.00 176.91 176.89 2kks h ARG 70 N 0.28 0.00 -0.66 0.39 1.12 -0.70 -0.29 114.38 114.51 2kks h ARG 70 Ca 0.09 0.00 -0.08 0.00 -1.11 0.00 0.00 59.98 58.88 2kks h ARG 70 Cb -0.01 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 29.92 2kks h ARG 70 CO -0.03 0.33 0.11 -0.22 -3.11 0.00 0.00 179.97 177.04 2kks h LYS 71 N 0.00 1.09 0.00 0.20 1.63 -0.18 -2.97 116.57 116.34 2kks h LYS 71 Ca -0.00 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 2kks h LYS 71 Cb 0.91 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.41 2kks h LYS 71 CO 0.04 1.00 -0.78 -0.91 -3.45 0.00 0.00 179.45 175.35 2kks h ASN 72 N 1.02 0.00 -0.08 4.20 2.35 -1.13 -3.48 115.58 118.46 2kks h ASN 72 Ca 0.20 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.95 2kks h ASN 72 Cb 0.43 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.80 2kks h ASN 72 CO 0.01 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 176.41 2kks n GLY 73 N 1.17 1.25 3.81 2.83 0.00 -0.30 -5.09 105.19 108.85 2kks n GLY 73 Ca 0.01 -0.36 -0.31 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.08 1.75 0.29 1.61 0.51 -0.28 -5.01 118.94 115.73 2kks s TRP 74 Ca 0.00 -0.94 0.03 0.00 -2.12 0.00 0.00 56.10 53.06 2kks s TRP 74 Cb 0.00 -1.68 -0.06 0.00 -0.81 0.00 0.00 33.47 30.92 2kks s TRP 74 CO 0.00 0.02 0.06 0.14 -0.51 0.00 0.00 176.95 176.65 2kks s VAL 75 N -2.86 0.97 -0.24 4.03 -7.23 0.36 -4.31 120.40 111.12 2kks s VAL 75 Ca 0.12 -2.01 -0.24 0.00 -1.81 0.00 0.00 61.98 58.04 2kks s VAL 75 Cb 0.00 -2.66 -0.01 0.00 0.56 0.00 0.00 36.38 34.27 2kks s VAL 75 CO 0.07 -0.06 0.82 -0.32 -0.31 0.00 0.00 175.10 175.30 2kks s MET 76 N -3.93 4.18 -0.00 4.82 1.75 -1.26 -0.83 119.30 124.02 2kks s MET 76 Ca 0.35 0.91 0.04 0.00 -1.25 0.00 0.00 55.69 55.75 2kks s MET 76 Cb 0.08 -3.65 -0.25 0.00 2.84 0.00 0.00 34.83 33.86 2kks s MET 76 CO 0.14 -0.51 0.83 -0.07 -0.65 0.00 0.00 175.02 174.76 2kks h LEU 77 N 9.17 0.18 0.00 4.11 3.38 -1.65 -3.48 115.31 127.02 2kks h LEU 77 Ca -0.23 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2kks h LEU 77 Cb 1.09 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.79 2kks h LEU 77 CO 0.87 1.24 0.00 0.61 0.09 0.00 0.00 178.44 181.24 2kks n GLY 78 N 1.59 -0.06 3.20 0.83 0.00 -1.20 -3.39 105.19 106.17 2kks n GLY 78 Ca -0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 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 0.23 -0.03 1.61 2.20 -1.21 -1.10 114.94 112.65 2kks s ASN 79 Ca 0.00 -1.09 0.06 0.00 -0.94 0.00 0.00 52.86 50.89 2kks s ASN 79 Cb 0.00 0.33 -0.01 0.00 -2.00 0.00 0.00 41.25 39.57 2kks s ASN 79 CO 0.00 -0.77 -0.22 0.72 -2.94 0.00 0.00 177.10 173.89 2kks s PHE 80 N -4.02 2.01 0.24 1.54 -0.71 -1.15 -2.22 117.98 113.68 2kks s PHE 80 Ca 0.21 -0.45 0.11 0.00 -1.04 0.00 0.00 56.93 55.76 2kks s PHE 80 Cb 0.06 -1.31 -0.05 0.00 -1.21 0.00 0.00 43.02 40.52 2kks s PHE 80 CO 0.00 -0.09 -0.20 -1.01 -1.34 0.00 0.00 175.22 172.59 2kks s HIS 81 N -0.37 2.16 -0.10 3.49 3.76 0.29 -2.55 115.29 121.98 2kks s HIS 81 Ca 0.04 -0.38 -0.08 0.00 -0.15 0.00 0.00 55.06 54.49 2kks s HIS 81 Cb -0.10 -0.98 0.03 0.00 1.11 0.00 0.00 32.58 32.65 2kks s HIS 81 CO 0.00 0.59 0.26 -1.12 -0.85 0.00 0.00 174.74 173.63 2kks s SER 82 N -3.26 -0.28 -0.08 1.40 0.01 -0.79 -0.61 113.70 110.09 2kks s SER 82 Ca 0.26 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 58.00 2kks s SER 82 Cb -0.05 0.50 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 2kks s SER 82 CO 0.12 -0.12 0.15 -1.00 0.41 0.00 0.00 173.24 172.81 2kks s HIS 83 N 0.57 3.58 0.06 2.43 3.76 0.03 -4.04 115.29 121.68 2kks s HIS 83 Ca -0.04 0.48 -0.15 0.00 -0.15 0.00 0.00 55.06 55.20 2kks s HIS 83 Cb -0.05 -1.91 -0.25 0.00 1.11 0.00 0.00 32.58 31.49 2kks s HIS 83 CO -0.03 0.71 1.16 -1.00 -0.85 0.00 0.00 174.74 174.73 2kks h PRO 84 N 4.61 0.67 0.00 8.40 0.13 -1.86 -0.67 132.00 143.27 2kks h PRO 84 Ca -0.53 -0.76 -0.15 0.00 -0.87 0.00 0.00 66.00 63.69 2kks h PRO 84 Cb 1.22 0.23 -0.28 0.00 0.13 0.00 0.00 31.00 32.29 2kks h PRO 84 CO 0.62 1.33 -0.76 0.00 -0.23 0.00 0.00 178.00 178.96 2kks n ALA 85 N -2.65 2.74 -2.55 -0.56 0.00 -1.26 -3.80 120.51 112.43 2kks n ALA 85 Ca -0.12 -1.72 -0.12 0.00 0.00 0.00 0.00 53.44 51.49 2kks n ALA 85 Cb 0.90 -0.58 -0.11 0.00 0.00 0.00 0.00 19.45 19.66 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 0.00 0.57 1.18 0.00 -4.23 -1.26 -4.98 115.64 106.92 2kks s THR 86 Ca 0.21 -1.46 -0.16 0.00 -1.18 0.00 0.00 61.69 59.10 2kks s THR 86 Cb 0.24 -1.08 0.28 0.00 1.34 0.00 0.00 72.50 73.28 2kks s THR 86 CO -0.11 -0.62 1.05 -2.84 -0.54 0.00 0.00 174.62 171.57 2kks s PRO 87 N -2.61 -1.04 -1.17 3.99 0.02 -1.26 -4.57 135.00 128.35 2kks s PRO 87 Ca -0.00 0.33 -0.17 0.00 0.02 0.00 0.00 61.00 61.18 2kks s PRO 87 Cb -0.03 -1.58 0.12 0.00 0.02 0.00 0.00 34.50 33.03 2kks s PRO 87 CO -0.02 -3.68 1.48 0.00 -0.33 0.00 0.00 177.00 174.45 2kks s ALA 88 N -2.73 3.54 -0.23 -1.55 0.00 -1.26 -4.81 121.76 114.70 2kks s ALA 88 Ca 0.68 -3.00 -0.26 0.00 0.00 0.00 0.00 51.96 49.38 2kks s ALA 88 Cb -0.17 -4.33 0.08 0.00 0.00 0.00 0.00 23.12 18.71 2kks s ALA 88 CO 0.59 -3.07 0.79 0.50 0.00 0.00 0.00 175.76 174.56 2kks s ARG 89 N 2.98 0.80 -0.22 0.00 3.52 -1.26 -5.00 118.95 119.77 2kks s ARG 89 Ca 0.45 0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 56.53 2kks s ARG 89 Cb -0.01 0.39 0.00 0.00 -1.56 0.00 0.00 34.95 33.77 2kks s ARG 89 CO -0.00 -0.13 1.13 -2.14 -0.81 0.00 0.00 175.30 173.35 2kks s PRO 90 N 0.05 4.23 0.77 5.12 0.02 -1.26 -5.05 135.00 138.88 2kks s PRO 90 Ca -0.01 1.45 -0.13 0.00 0.02 0.00 0.00 61.00 62.32 2kks s PRO 90 Cb -0.04 -3.70 0.18 0.00 0.02 0.00 0.00 34.50 30.96 2kks s PRO 90 CO 0.01 -0.69 0.88 0.43 -0.33 0.00 0.00 177.00 177.30 2kks n SER 91 N 6.50 -0.65 -0.05 2.53 7.64 -1.26 -4.74 113.62 123.60 2kks n SER 91 Ca 0.13 -1.20 -0.10 0.00 1.01 0.00 0.00 58.87 58.71 2kks n SER 91 Cb 0.46 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.90 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 -2.12 0.27 -0.02 -0.43 0.00 -1.99 -0.54 119.26 114.44 2kks h ALA 92 Ca -0.30 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.42 2kks h ALA 92 Cb 0.86 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2kks h ALA 92 CO 0.21 -0.25 -0.76 1.05 0.00 0.00 0.00 179.25 179.49 2kks h GLU 93 N 0.29 0.17 -0.99 0.00 4.11 -1.99 -2.64 114.58 113.53 2kks h GLU 93 Ca 0.08 -0.15 0.05 0.00 0.07 0.00 0.00 59.36 59.41 2kks h GLU 93 Cb -0.03 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.20 2kks h GLU 93 CO -0.02 0.85 0.65 -0.44 0.07 0.00 0.00 179.01 180.12 2kks h ASP 94 N 0.10 1.05 0.24 3.06 5.19 -1.81 -1.62 116.42 122.64 2kks h ASP 94 Ca -0.02 0.00 -0.09 0.00 -0.62 0.00 0.00 57.03 56.29 2kks h ASP 94 Cb 1.34 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2kks h ASP 94 CO 0.11 0.69 -0.36 0.50 -3.12 0.00 0.00 179.24 177.07 2kks h LYS 95 N 1.21 0.18 0.00 3.56 3.11 -0.87 -2.04 116.57 121.72 2kks h LYS 95 Ca 0.41 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 58.15 2kks h LYS 95 Cb 0.09 -0.01 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2kks h LYS 95 CO -0.15 0.52 -0.15 0.00 -2.81 0.00 0.00 179.45 176.86 2kks h ARG 96 N 0.16 0.00 -0.31 1.90 3.08 -0.95 -2.27 114.38 115.99 2kks h ARG 96 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2kks h ARG 96 Cb 0.71 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.76 2kks h ARG 96 CO 0.05 0.15 0.00 1.28 -1.07 0.00 0.00 179.97 180.39 2kks n LEU 97 N -3.99 1.10 -4.57 3.04 4.77 -0.77 -4.65 117.00 111.93 2kks n LEU 97 Ca -0.02 -0.55 -0.40 0.00 -0.03 0.00 0.00 56.01 55.01 2kks n LEU 97 Cb 0.24 -0.19 -0.02 0.00 -2.33 0.00 0.00 43.42 41.12 2kks n LEU 97 CO 0.33 0.24 1.70 0.00 -1.33 0.00 0.00 177.39 178.33 2kks s ALA 98 N -1.70 2.85 -1.09 -1.18 0.00 -0.85 -4.65 121.76 115.13 2kks s ALA 98 Ca 0.11 -2.50 0.22 0.00 0.00 0.00 0.00 51.96 49.79 2kks s ALA 98 Cb 0.06 -4.60 -0.04 0.00 0.00 0.00 0.00 23.12 18.54 2kks s ALA 98 CO 0.07 -3.67 1.03 1.19 0.00 0.00 0.00 175.76 174.38 2kks n PHE 99 N 9.38 0.00 -2.48 0.00 3.72 -1.26 -4.94 117.46 121.88 2kks n PHE 99 Ca 0.41 0.00 -0.37 0.00 -0.05 0.00 0.00 57.45 57.44 2kks n PHE 99 Cb 0.48 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.93 2kks n PHE 99 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2kks s ASP 100 N -2.95 6.75 0.01 4.37 1.11 -1.26 -4.99 116.67 119.72 2kks s ASP 100 Ca 0.10 2.13 -0.26 0.00 0.18 0.00 0.00 52.55 54.70 2kks s ASP 100 Cb 0.17 -2.60 -0.16 0.00 1.07 0.00 0.00 42.92 41.40 2kks s ASP 100 CO 0.81 -0.50 1.20 -0.65 1.18 0.00 0.00 175.17 177.21 2kks h PRO 101 N 2.67 -0.65 -0.00 8.23 0.11 -1.99 -3.42 132.00 136.96 2kks h PRO 101 Ca -0.48 0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.53 2kks h PRO 101 Cb 1.22 0.15 -0.17 0.00 0.11 0.00 0.00 31.00 32.31 2kks h PRO 101 CO 0.63 -0.35 -0.40 0.43 -0.21 0.00 0.00 178.00 178.10 2kks n SER 102 N -5.27 -0.71 -4.88 -2.05 7.64 -1.26 -5.06 113.62 102.02 2kks n SER 102 Ca -0.11 -2.00 -0.29 0.00 1.01 0.00 0.00 58.87 57.48 2kks n SER 102 Cb 0.32 0.22 0.08 0.00 -1.01 0.00 0.00 64.21 63.82 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 -0.08 2.55 -0.20 -3.43 1.43 -1.26 -5.01 118.68 112.68 2kks s LEU 103 Ca 0.05 0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 53.82 2kks s LEU 103 Cb 0.06 -3.45 -0.02 0.00 0.03 0.00 0.00 46.19 42.82 2kks s LEU 103 CO -0.03 -1.84 0.75 -0.44 0.23 0.00 0.00 176.35 175.02 2kks s SER 104 N -4.45 6.81 -0.73 2.29 0.01 -1.22 -4.66 113.70 111.75 2kks s SER 104 Ca 0.61 1.00 -0.19 0.00 1.31 0.00 0.00 55.95 58.69 2kks s SER 104 Cb -0.11 -2.41 0.12 0.00 0.21 0.00 0.00 66.02 63.83 2kks s SER 104 CO 0.50 -0.38 0.86 -0.31 0.41 0.00 0.00 173.24 174.32 2kks s TYR 105 N 2.26 3.11 0.01 2.43 1.51 -0.15 -3.29 117.35 123.22 2kks s TYR 105 Ca 0.34 -1.19 -0.30 0.00 -1.01 0.00 0.00 57.07 54.91 2kks s TYR 105 Cb -0.16 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 37.56 2kks s TYR 105 CO 0.10 -1.35 1.13 -0.51 -1.11 0.00 0.00 175.55 173.82 2kks s LEU 106 N 2.47 4.34 -0.16 -1.29 1.02 -0.94 0.26 118.68 124.37 2kks s LEU 106 Ca 0.20 1.84 0.00 0.00 0.02 0.00 0.00 54.13 56.19 2kks s LEU 106 Cb -0.16 -3.57 0.04 0.00 0.02 0.00 0.00 46.19 42.52 2kks s LEU 106 CO 0.00 -0.45 -0.09 -0.63 0.02 0.00 0.00 176.35 175.21 2kks s ILE 107 N 1.41 1.33 -0.11 -0.59 1.01 0.11 0.11 121.20 124.47 2kks s ILE 107 Ca 0.56 -0.69 -0.02 0.00 0.00 0.00 0.00 60.65 60.49 2kks s ILE 107 Cb -0.25 -1.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2kks s ILE 107 CO 0.26 0.23 -0.01 -0.63 0.00 0.00 0.00 174.94 174.79 2kks s ILE 108 N 1.55 4.19 -0.41 2.92 1.01 0.22 -1.65 121.20 129.04 2kks s ILE 108 Ca 0.01 -0.28 -0.18 0.00 0.00 0.00 0.00 60.65 60.21 2kks s ILE 108 Cb -0.15 -2.79 0.02 0.00 0.01 0.00 0.00 42.46 39.55 2kks s ILE 108 CO -0.08 0.57 0.49 -0.55 0.00 0.00 0.00 174.94 175.36 2kks s SER 109 N -0.47 6.24 -0.50 3.58 0.15 0.47 -0.79 113.70 122.39 2kks s SER 109 Ca 0.08 -0.47 0.03 0.00 0.70 0.00 0.00 55.95 56.29 2kks s SER 109 Cb -0.12 -2.25 0.58 0.00 -1.71 0.00 0.00 66.02 62.52 2kks s SER 109 CO 0.02 -0.59 1.89 -0.11 1.20 0.00 0.00 173.24 175.65 2kks n LEU 110 N 5.76 6.74 -0.27 3.45 -0.00 -0.26 -3.15 117.00 129.27 2kks n LEU 110 Ca -0.06 -3.86 -0.02 0.00 -0.00 0.00 0.00 56.01 52.07 2kks n LEU 110 Cb 0.48 -0.85 0.10 0.00 -0.00 0.00 0.00 43.42 43.15 2kks n LEU 110 CO 0.47 1.23 1.16 0.00 -0.00 0.00 0.00 177.39 180.25 2kks h ALA 111 N 1.33 1.02 -3.00 1.96 0.00 -1.68 -3.43 119.26 115.45 2kks h ALA 111 Ca 0.59 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.33 2kks h ALA 111 Cb 2.12 -0.23 -0.25 0.00 0.00 0.00 0.00 17.79 19.43 2kks h ALA 111 CO 1.18 0.25 -0.37 -2.00 0.00 0.00 0.00 179.25 178.31 2kks s GLU 112 N -6.10 0.35 0.00 0.00 2.56 -1.26 -4.93 118.70 109.33 2kks s GLU 112 Ca -0.13 0.38 0.24 0.00 0.00 0.00 0.00 54.97 55.46 2kks s GLU 112 Cb 0.16 0.17 1.20 0.00 2.00 0.00 0.00 34.13 37.67 2kks s GLU 112 CO 0.78 -0.05 1.77 -2.30 -0.56 0.00 0.00 175.26 174.91 2kks n PRO 113 N 2.85 0.36 -0.18 4.30 -0.02 -1.26 -3.09 135.00 137.97 2kks n PRO 113 Ca -0.13 0.06 -0.08 0.00 -2.02 0.00 0.00 63.50 61.33 2kks n PRO 113 Cb 0.58 -1.50 0.01 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.79 -1.70 -0.52 1.08 -1.99 -3.39 115.11 109.38 2kks h GLN 114 Ca 0.00 -0.15 -0.36 0.00 -1.45 0.00 0.00 58.65 56.69 2kks h GLN 114 Cb 0.20 -0.12 -0.27 0.00 -0.05 0.00 0.00 27.48 27.24 2kks h GLN 114 CO 0.00 0.70 -0.72 0.15 -0.95 0.00 0.00 178.83 178.01 2kks s LYS 115 N -5.51 0.94 -0.55 1.46 -0.14 -1.18 -5.10 119.74 109.65 2kks s LYS 115 Ca -0.13 -1.46 -0.28 0.00 -1.36 0.00 0.00 55.97 52.74 2kks s LYS 115 Cb 0.12 -0.71 0.02 0.00 -1.68 0.00 0.00 37.83 35.58 2kks s LYS 115 CO 0.78 -1.33 1.30 -2.14 -0.76 0.00 0.00 175.35 173.20 2kks s PRO 116 N 0.63 3.44 -0.11 -1.68 0.02 -1.20 -4.76 135.00 131.34 2kks s PRO 116 Ca 0.29 0.40 -0.30 0.00 0.02 0.00 0.00 61.00 61.42 2kks s PRO 116 Cb -0.01 -4.05 -0.02 0.00 0.02 0.00 0.00 34.50 30.43 2kks s PRO 116 CO -0.11 -1.76 1.24 0.08 -0.33 0.00 0.00 177.00 176.12 2kks s VAL 117 N 5.42 4.24 -0.19 3.83 1.01 -1.19 -4.79 120.40 128.74 2kks s VAL 117 Ca 0.48 1.54 -0.02 0.00 0.00 0.00 0.00 61.98 63.99 2kks s VAL 117 Cb -0.09 -3.99 -0.00 0.00 0.00 0.00 0.00 36.38 32.29 2kks s VAL 117 CO 0.26 -0.07 -0.10 0.00 0.00 0.00 0.00 175.10 175.19 2kks s LYS 119 N 1.15 1.10 -0.17 0.00 1.02 -0.66 -4.91 119.74 117.28 2kks s LYS 119 Ca 0.01 -1.53 0.01 0.00 0.02 0.00 0.00 55.97 54.49 2kks s LYS 119 Cb -0.14 -0.20 0.02 0.00 -0.52 0.00 0.00 37.83 36.98 2kks s LYS 119 CO -0.03 -0.15 -0.20 -1.12 -0.92 0.00 0.00 175.35 172.92 2kks s SER 120 N -3.16 3.16 -0.15 2.83 0.01 -1.25 0.04 113.70 115.18 2kks s SER 120 Ca 0.24 -0.63 -0.04 0.00 1.31 0.00 0.00 55.95 56.83 2kks s SER 120 Cb 0.06 -1.48 -0.03 0.00 0.21 0.00 0.00 66.02 64.79 2kks s SER 120 CO 0.04 0.02 -0.01 -0.36 0.41 0.00 0.00 173.24 173.34 2kks s PHE 121 N 1.16 3.08 -0.42 2.43 0.40 0.14 0.49 117.98 125.26 2kks s PHE 121 Ca 0.02 -0.17 -0.13 0.00 -0.60 0.00 0.00 56.93 56.05 2kks s PHE 121 Cb -0.14 -1.96 0.05 0.00 0.51 0.00 0.00 43.02 41.48 2kks s PHE 121 CO -0.10 0.06 0.29 -0.51 0.70 0.00 0.00 175.22 175.66 2kks s LEU 122 N 0.22 5.14 -0.48 -0.37 1.43 0.21 -0.97 118.68 123.85 2kks s LEU 122 Ca -0.01 -1.18 -0.24 0.00 -1.03 0.00 0.00 54.13 51.67 2kks s LEU 122 Cb -0.13 -2.09 0.03 0.00 0.03 0.00 0.00 46.19 44.03 2kks s LEU 122 CO 0.02 -0.50 0.89 -0.63 0.23 0.00 0.00 176.35 176.36 2kks s ILE 123 N 1.57 4.50 0.42 -0.59 1.01 -1.26 -0.08 121.20 126.77 2kks s ILE 123 Ca 0.03 0.51 0.08 0.00 0.00 0.00 0.00 60.65 61.27 2kks s ILE 123 Cb -0.21 -4.43 0.00 0.00 0.01 0.00 0.00 42.46 37.83 2kks s ILE 123 CO 0.06 -0.88 0.51 -0.54 0.00 0.00 0.00 174.94 174.10 2kks s LYS 124 N 3.66 2.73 0.13 2.79 3.01 -0.16 -4.93 119.74 126.97 2kks s LYS 124 Ca 0.33 -1.34 -0.30 0.00 -1.01 0.00 0.00 55.97 53.65 2kks s LYS 124 Cb -0.11 -2.64 -0.07 0.00 -1.01 0.00 0.00 37.83 33.99 2kks s LYS 124 CO 0.23 -0.25 1.57 -0.22 0.51 0.00 0.00 175.35 177.19 2kks h LYS 125 N 0.76 -0.49 -0.99 1.68 3.64 -1.98 -2.91 116.57 116.28 2kks h LYS 125 Ca -0.40 0.03 -0.39 0.00 -1.27 0.00 0.00 60.65 58.62 2kks h LYS 125 Cb 1.28 0.11 -0.23 0.00 -0.41 0.00 0.00 32.23 32.97 2kks h LYS 125 CO 0.49 -0.33 0.50 -0.25 -2.27 0.00 0.00 179.45 177.59 2kks n ASP 126 N -5.44 3.64 0.00 4.20 8.00 -1.26 -4.96 116.55 120.73 2kks n ASP 126 Ca -0.04 -3.24 0.00 0.00 0.71 0.00 0.00 54.79 52.21 2kks n ASP 126 Cb 0.37 -0.76 0.00 0.00 -0.02 0.00 0.00 41.12 40.71 2kks n ASP 126 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kks n GLY 127 N -0.74 3.99 3.77 0.44 0.00 -1.10 -5.09 105.19 106.46 2kks n GLY 127 Ca 0.46 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.15 5.38 -0.07 1.61 0.11 -1.26 -0.98 120.40 123.04 2kks s VAL 128 Ca 0.00 0.34 0.04 0.00 -2.93 0.00 0.00 61.98 59.43 2kks s VAL 128 Cb 0.00 -3.52 -0.02 0.00 -1.53 0.00 0.00 36.38 31.32 2kks s VAL 128 CO 0.00 0.48 -0.19 -0.62 -3.33 0.00 0.00 175.10 171.44 2kks s ASP 129 N -0.04 3.62 -0.13 3.54 2.15 0.88 -4.93 116.67 121.77 2kks s ASP 129 Ca 0.13 -0.36 -0.16 0.00 0.43 0.00 0.00 52.55 52.60 2kks s ASP 129 Cb -0.12 -1.01 -0.05 0.00 -0.30 0.00 0.00 42.92 41.44 2kks s ASP 129 CO 0.02 0.26 0.38 -1.83 -0.17 0.00 0.00 175.17 173.83 2kks s GLU 130 N -0.25 4.24 0.35 4.34 -1.05 -1.26 0.64 118.70 125.71 2kks s GLU 130 Ca 0.00 0.27 0.07 0.00 -0.15 0.00 0.00 54.97 55.16 2kks s GLU 130 Cb -0.13 -3.41 -0.01 0.00 -0.44 0.00 0.00 34.13 30.15 2kks s GLU 130 CO 0.03 0.26 0.48 -2.00 0.95 0.00 0.00 175.26 174.98 2kks s GLU 131 N 0.35 3.03 0.00 -4.83 2.12 0.18 -4.95 118.70 114.60 2kks s GLU 131 Ca 0.21 -1.08 -0.02 0.00 0.36 0.00 0.00 54.97 54.44 2kks s GLU 131 Cb -0.14 -2.78 -0.04 0.00 0.26 0.00 0.00 34.13 31.43 2kks s GLU 131 CO 0.07 -0.01 0.17 -1.83 -0.54 0.00 0.00 175.26 173.13 2kks s GLU 132 N -4.20 3.38 -0.18 4.30 1.03 -1.26 -3.81 118.70 117.97 2kks s GLU 132 Ca 0.47 -0.37 -0.03 0.00 0.03 0.00 0.00 54.97 55.07 2kks s GLU 132 Cb -0.09 -3.05 -0.01 0.00 -0.80 0.00 0.00 34.13 30.17 2kks s GLU 132 CO 0.31 0.66 -0.07 0.42 -1.33 0.00 0.00 175.26 175.25 2kks s ILE 133 N -1.34 3.40 -0.12 1.83 1.01 -1.26 -1.61 121.20 123.11 2kks s ILE 133 Ca 0.28 -0.51 0.00 0.00 0.00 0.00 0.00 60.65 60.43 2kks s ILE 133 Cb -0.13 -2.50 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 2kks s ILE 133 CO 0.20 0.47 -0.13 -0.63 0.00 0.00 0.00 174.94 174.85 2kks s ILE 134 N 0.88 3.11 0.15 2.92 1.09 0.28 -4.97 121.20 124.65 2kks s ILE 134 Ca -0.02 -0.65 -0.03 0.00 -1.10 0.00 0.00 60.65 58.85 2kks s ILE 134 Cb -0.15 -2.29 -0.05 0.00 -1.06 0.00 0.00 42.46 38.91 2kks s ILE 134 CO 0.01 0.54 0.35 -0.76 -0.10 0.00 0.00 174.94 174.98 2kks s LEU 135 N 0.14 4.27 0.13 2.97 1.43 -1.26 -2.60 118.68 123.76 2kks s LEU 135 Ca -0.06 0.48 0.06 0.00 -1.03 0.00 0.00 54.13 53.58 2kks s LEU 135 Cb -0.15 -3.21 -0.04 0.00 0.03 0.00 0.00 46.19 42.82 2kks s LEU 135 CO 0.05 0.04 -0.13 -0.54 0.23 0.00 0.00 176.35 176.00 2kks s LYS 136 N -2.83 1.05 0.19 1.70 -0.14 -0.66 -4.93 119.74 114.11 2kks s LYS 136 Ca 0.39 -1.30 0.09 0.00 -1.36 0.00 0.00 55.97 53.79 2kks s LYS 136 Cb -0.12 -0.85 0.04 0.00 -1.68 0.00 0.00 37.83 35.22 2kks s LYS 136 CO 0.27 0.15 1.43 0.93 -0.76 0.00 0.00 175.35 177.36 2kks h GLU 137 N 3.31 0.00 -3.63 1.68 3.07 -1.96 -1.34 114.58 115.71 2kks h GLU 137 Ca -0.39 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.38 2kks h GLU 137 Cb 1.20 0.00 -0.07 0.00 -0.84 0.00 0.00 28.75 29.03 2kks h GLU 137 CO 0.54 0.82 -0.06 -2.00 -1.40 0.00 0.00 179.01 176.91 2kks s GLU 138 N -3.09 1.74 0.00 2.33 2.12 -1.26 -4.58 118.70 115.97 2kks s GLU 138 Ca 0.00 -1.38 0.00 0.00 0.36 0.00 0.00 54.97 53.95 2kks s GLU 138 Cb 0.11 0.49 0.00 0.00 0.26 0.00 0.00 34.13 34.99 2kks s GLU 138 CO 0.79 -0.75 0.00 1.28 -0.54 0.00 0.00 175.26 176.05 2kks n LEU 139 N -0.45 0.00 0.00 2.70 4.77 -1.26 -4.69 117.00 118.07 2kks n LEU 139 Ca -0.02 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 55.97 2kks n LEU 139 Cb 0.61 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 2kks n LEU 139 CO 0.24 -0.66 -0.01 -0.62 -1.33 0.00 0.00 177.39 175.01 2kks n GLU 140 N -0.89 -0.13 -2.27 3.23 1.02 -1.26 -3.92 120.64 116.42 2kks n GLU 140 Ca 0.00 0.08 -0.41 0.00 -0.02 0.00 0.00 57.16 56.81 2kks n GLU 140 Cb 0.00 -0.16 0.00 0.00 -0.02 0.00 0.00 31.44 31.27 2kks n GLU 140 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kks n HIS 141 N -1.30 2.67 -1.78 -0.32 -0.00 -1.26 -5.00 115.22 108.24 2kks n HIS 141 Ca 0.00 -2.75 -0.41 0.00 0.46 0.00 0.00 57.72 55.02 2kks n HIS 141 Cb 0.03 -1.72 -0.01 0.00 -0.12 0.00 0.00 29.99 28.17 2kks n HIS 141 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2kks s HIS 142 N -1.31 2.68 -0.17 1.57 3.76 -1.25 -5.01 115.29 115.56 2kks s HIS 142 Ca 0.46 0.91 -0.05 0.00 -0.15 0.00 0.00 55.06 56.23 2kks s HIS 142 Cb 0.15 -4.06 0.06 0.00 1.11 0.00 0.00 32.58 29.83 2kks s HIS 142 CO -0.05 -3.42 0.10 -3.38 -0.85 0.00 0.00 174.74 167.14 2kks s HIS 143 N -0.39 0.16 -0.06 1.40 -3.43 -1.26 -5.04 115.29 106.67 2kks s HIS 143 Ca 0.60 -0.26 -0.10 0.00 -0.80 0.00 0.00 55.06 54.49 2kks s HIS 143 Cb -0.48 -0.67 0.02 0.00 -1.43 0.00 0.00 32.58 30.03 2kks s HIS 143 CO 0.53 -0.50 0.25 -1.01 -2.00 0.00 0.00 174.74 172.01 2kks s HIS 144 N 2.15 -0.20 -0.11 0.38 3.76 -1.26 -5.08 115.29 114.93 2kks s HIS 144 Ca 0.02 0.45 -0.04 0.00 -0.15 0.00 0.00 55.06 55.35 2kks s HIS 144 Cb -0.16 0.07 0.01 0.00 1.11 0.00 0.00 32.58 33.62 2kks s HIS 144 CO -0.09 -0.23 0.07 1.58 -0.85 0.00 0.00 174.74 175.23 2kks n HIS 145 N 2.28 -2.05 -0.21 1.40 -0.00 -1.26 -5.18 115.22 110.20 2kks n HIS 145 Ca -0.17 1.09 0.00 0.00 -0.00 0.00 0.00 57.72 58.64 2kks n HIS 145 Cb 0.57 -2.40 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 2kks n HIS 145 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06