#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kks s ILE 2 N 0.00 2.66 -0.19 3.17 2.07 -1.14 -3.62 121.20 124.15 2kks s ILE 2 Ca 0.00 -0.80 -0.03 0.00 -1.41 0.00 0.00 60.65 58.41 2kks s ILE 2 Cb 0.00 -2.09 -0.01 0.00 0.13 0.00 0.00 42.46 40.49 2kks s ILE 2 CO 0.00 0.54 -0.06 -0.89 -1.91 0.00 0.00 174.94 172.61 2kks s THR 3 N 0.38 3.38 0.16 4.00 2.01 -0.45 -0.86 115.64 124.26 2kks s THR 3 Ca -0.13 -0.51 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 2kks s THR 3 Cb -0.17 -2.50 -0.01 0.00 0.01 0.00 0.00 72.50 69.83 2kks s THR 3 CO 0.06 0.46 0.26 -1.48 -0.69 0.00 0.00 174.62 173.24 2kks s LEU 4 N 1.04 1.03 0.36 4.42 0.05 -0.53 0.02 118.68 125.07 2kks s LEU 4 Ca 0.00 -0.90 0.05 0.00 0.05 0.00 0.00 54.13 53.33 2kks s LEU 4 Cb -0.15 1.11 -0.01 0.00 -2.05 0.00 0.00 46.19 45.10 2kks s LEU 4 CO -0.00 -0.88 0.52 0.42 -0.55 0.00 0.00 176.35 175.86 2kks s THR 5 N -3.98 4.15 0.31 5.48 -4.23 -1.26 -1.83 115.64 114.28 2kks s THR 5 Ca 0.18 -0.85 -0.00 0.00 -1.18 0.00 0.00 61.69 59.84 2kks s THR 5 Cb 0.04 -3.47 0.27 0.00 1.34 0.00 0.00 72.50 70.68 2kks s THR 5 CO 0.00 -0.22 1.97 0.11 -0.54 0.00 0.00 174.62 175.94 2kks h LYS 6 N 0.77 1.00 -0.68 3.99 1.79 -0.72 -1.54 116.57 121.18 2kks h LYS 6 Ca -0.46 -0.06 -0.00 0.00 -2.18 0.00 0.00 60.65 57.95 2kks h LYS 6 Cb 1.25 -0.22 -0.03 0.00 -1.58 0.00 0.00 32.23 31.65 2kks h LYS 6 CO 0.55 0.66 0.42 -0.22 -1.08 0.00 0.00 179.45 179.78 2kks h LYS 7 N 1.03 0.92 -0.56 3.15 3.11 -1.82 0.27 116.57 122.67 2kks h LYS 7 Ca 0.31 -0.07 -0.03 0.00 -2.81 0.00 0.00 60.65 58.04 2kks h LYS 7 Cb -0.04 -0.20 -0.02 0.00 -1.00 0.00 0.00 32.23 30.97 2kks h LYS 7 CO -0.08 0.64 0.23 1.96 -2.81 0.00 0.00 179.45 179.39 2kks h GLN 8 N 0.93 0.84 -0.53 1.90 1.08 -1.79 0.16 115.11 117.70 2kks h GLN 8 Ca 0.25 -0.15 -0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2kks h GLN 8 Cb -0.05 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.21 2kks h GLN 8 CO -0.05 0.73 0.32 1.98 -0.95 0.00 0.00 178.83 180.86 2kks h MET 9 N 0.77 0.71 -0.94 1.46 4.05 -0.76 -1.24 114.93 118.98 2kks h MET 9 Ca 0.19 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.55 2kks h MET 9 Cb 0.20 -0.15 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 2kks h MET 9 CO -0.02 0.51 0.59 0.93 0.23 0.00 0.00 176.91 179.16 2kks h GLU 10 N 0.71 1.26 -0.59 0.39 4.39 -0.13 0.37 114.58 120.99 2kks h GLU 10 Ca 0.19 -0.10 0.03 0.00 0.34 0.00 0.00 59.36 59.82 2kks h GLU 10 Cb -0.02 -0.27 -0.04 0.00 -0.10 0.00 0.00 28.75 28.32 2kks h GLU 10 CO -0.04 0.86 0.36 0.93 -1.16 0.00 0.00 179.01 179.97 2kks h GLU 11 N 1.29 0.69 -0.11 2.33 5.08 -0.15 0.28 114.58 123.99 2kks h GLU 11 Ca 0.34 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 2kks h GLU 11 Cb -0.09 -0.16 -0.00 0.00 0.50 0.00 0.00 28.75 29.00 2kks h GLU 11 CO -0.07 0.46 -0.14 0.52 -1.00 0.00 0.00 179.01 178.79 2kks h MET 12 N 0.71 0.29 -0.21 2.33 2.86 -0.70 -2.77 114.93 117.44 2kks h MET 12 Ca 0.24 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2kks h MET 12 Cb 0.02 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 2kks h MET 12 CO -0.10 0.72 0.12 -0.07 1.06 0.00 0.00 176.91 178.64 2kks h LEU 13 N -0.12 0.19 -0.92 1.22 3.38 -0.04 0.15 115.31 119.17 2kks h LEU 13 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2kks h LEU 13 Cb 0.68 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.35 2kks h LEU 13 CO 0.03 0.14 0.54 0.00 0.09 0.00 0.00 178.44 179.24 2kks h ALA 14 N 1.10 1.17 -0.28 1.53 0.00 -0.52 -0.16 119.26 122.10 2kks h ALA 14 Ca 0.08 -0.11 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 2kks h ALA 14 Cb 0.00 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 2kks h ALA 14 CO -0.04 0.65 -0.49 1.25 0.00 0.00 0.00 179.25 180.61 2kks h HIS 15 N 1.27 0.95 -0.05 0.00 -0.00 -1.17 -1.77 115.15 114.39 2kks h HIS 15 Ca 0.33 -0.32 -0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2kks h HIS 15 Cb -0.03 -0.19 -0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2kks h HIS 15 CO 0.01 1.11 0.02 0.00 -0.00 0.00 0.00 177.93 179.06 2kks h ALA 16 N 0.83 0.06 -0.13 5.26 0.00 -0.17 -0.09 119.26 125.03 2kks h ALA 16 Ca 0.03 -0.09 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 2kks h ALA 16 Cb 1.07 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2kks h ALA 16 CO 0.11 -0.36 -0.17 0.07 0.00 0.00 0.00 179.25 178.90 2kks h ARG 17 N -0.08 0.20 -0.30 0.00 0.11 -1.06 -2.49 114.38 110.75 2kks h ARG 17 Ca 0.02 -0.05 -0.05 0.00 0.10 0.00 0.00 59.98 59.99 2kks h ARG 17 Cb 0.16 -0.03 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 2kks h ARG 17 CO -0.00 0.38 -0.01 0.37 0.10 0.00 0.00 179.97 180.81 2kks h GLN 18 N 0.19 0.54 -0.02 0.08 4.15 -1.02 -3.22 115.11 115.81 2kks h GLN 18 Ca 0.04 -0.18 0.00 0.00 0.77 0.00 0.00 58.65 59.28 2kks h GLN 18 Cb 0.42 -0.05 0.00 0.00 0.21 0.00 0.00 27.48 28.06 2kks h GLN 18 CO 0.03 0.69 0.00 0.00 -1.93 0.00 0.00 178.83 177.61 2kks n ALA 19 N -2.37 2.62 -1.72 3.38 0.00 -0.07 -4.89 120.51 117.46 2kks n ALA 19 Ca -0.03 -0.28 -0.39 0.00 0.00 0.00 0.00 53.44 52.75 2kks n ALA 19 Cb 0.27 -1.33 0.04 0.00 0.00 0.00 0.00 19.45 18.43 2kks n ALA 19 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2kks n LEU 20 N -0.52 5.15 -1.57 0.00 4.77 -1.03 -0.88 117.00 122.94 2kks n LEU 20 Ca 0.19 0.95 -0.01 0.00 -0.03 0.00 0.00 56.01 57.12 2kks n LEU 20 Cb 0.18 -1.54 0.24 0.00 -2.33 0.00 0.00 43.42 39.97 2kks n LEU 20 CO 0.15 -0.82 0.78 -0.81 -1.33 0.00 0.00 177.39 175.36 2kks n PRO 21 N -0.99 3.19 -2.75 3.23 -0.04 -1.26 -5.09 135.00 131.29 2kks n PRO 21 Ca 0.11 -2.14 -0.39 0.00 -0.04 0.00 0.00 63.50 61.04 2kks n PRO 21 Cb 0.45 -1.97 -0.06 0.00 -0.04 0.00 0.00 33.50 31.88 2kks n PRO 21 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2kks s ASN 22 N -0.54 7.51 -0.57 3.54 0.01 -0.06 -4.85 114.94 119.98 2kks s ASN 22 Ca 0.38 1.92 -0.26 0.00 -0.71 0.00 0.00 52.86 54.19 2kks s ASN 22 Cb 0.30 -2.60 -0.05 0.00 0.41 0.00 0.00 41.25 39.31 2kks s ASN 22 CO 0.10 0.06 2.14 -1.61 -1.51 0.00 0.00 177.10 176.28 2kks s GLU 23 N -1.52 2.34 0.19 -0.60 2.02 -1.07 -4.85 118.70 115.20 2kks s GLU 23 Ca 0.45 0.96 -0.30 0.00 0.02 0.00 0.00 54.97 56.10 2kks s GLU 23 Cb -0.24 -4.51 -0.08 0.00 0.10 0.00 0.00 34.13 29.40 2kks s GLU 23 CO 0.29 -3.07 0.94 0.00 0.02 0.00 0.00 175.26 173.44 2kks s ALA 24 N 10.80 3.32 0.19 5.21 0.00 -1.26 -4.63 121.76 135.39 2kks s ALA 24 Ca 0.83 0.59 0.00 0.00 0.00 0.00 0.00 51.96 53.38 2kks s ALA 24 Cb -0.15 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.71 2kks s ALA 24 CO 0.22 0.14 0.07 0.00 0.00 0.00 0.00 175.76 176.19 2kks n GLY 26 N -0.28 1.37 3.35 0.00 0.00 -1.17 -3.15 105.19 105.31 2kks n GLY 26 Ca -0.02 -0.76 -0.24 0.00 0.00 0.00 0.00 46.02 45.00 2kks n GLY 26 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2kks s LEU 27 N 0.00 2.40 -0.12 0.99 1.43 0.12 -3.11 118.68 120.39 2kks s LEU 27 Ca 0.00 -0.82 0.02 0.00 -1.03 0.00 0.00 54.13 52.29 2kks s LEU 27 Cb 0.00 -0.94 -0.01 0.00 0.03 0.00 0.00 46.19 45.27 2kks s LEU 27 CO 0.00 0.03 -0.18 -0.76 0.23 0.00 0.00 176.35 175.67 2kks s LEU 28 N -2.49 2.40 0.24 1.79 1.43 0.17 -0.58 118.68 121.64 2kks s LEU 28 Ca 0.15 -0.45 0.10 0.00 -1.03 0.00 0.00 54.13 52.90 2kks s LEU 28 Cb -0.07 -1.52 -0.05 0.00 0.03 0.00 0.00 46.19 44.58 2kks s LEU 28 CO 0.07 0.15 -0.18 -0.83 0.23 0.00 0.00 176.35 175.79 2kks s GLY 29 N 0.43 1.66 0.00 -3.19 0.00 0.85 -0.26 107.32 106.81 2kks s GLY 29 Ca -0.13 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 42.84 2kks s GLY 29 CO 0.06 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.93 2kks n GLY 30 N -0.41 -0.52 3.60 0.20 0.00 0.24 -0.80 105.19 107.48 2kks n GLY 30 Ca -0.07 -0.43 -0.32 0.00 0.00 0.00 0.00 46.02 45.20 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 -1.88 2.54 -0.02 1.61 0.52 0.27 0.15 118.95 122.14 2kks s ARG 31 Ca 0.00 -0.73 0.00 0.00 -0.52 0.00 0.00 55.73 54.48 2kks s ARG 31 Cb 0.00 -2.50 0.02 0.00 0.52 0.00 0.00 34.95 32.99 2kks s ARG 31 CO 0.00 0.60 0.00 -0.98 0.02 0.00 0.00 175.30 174.94 2kks s ARG 32 N -1.44 0.15 0.00 3.54 1.70 -1.26 0.58 118.95 122.22 2kks s ARG 32 Ca 0.17 0.07 0.24 0.00 -0.47 0.00 0.00 55.73 55.75 2kks s ARG 32 Cb -0.11 -0.31 0.28 0.00 -0.57 0.00 0.00 34.95 34.25 2kks s ARG 32 CO 0.08 -0.10 1.29 -3.47 -1.08 0.00 0.00 175.30 172.03 2kks n ASP 33 N 3.83 2.39 0.00 -2.89 2.03 -0.16 -4.96 116.55 116.79 2kks n ASP 33 Ca -0.23 -1.72 0.00 0.00 0.52 0.00 0.00 54.79 53.36 2kks n ASP 33 Cb 0.53 0.15 0.00 0.00 -0.72 0.00 0.00 41.12 41.08 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 1.35 3.25 0.12 0.27 0.00 -1.26 -4.76 105.19 104.16 2kks n GLY 34 Ca 0.13 -0.91 -0.16 0.00 0.00 0.00 0.00 46.02 45.08 2kks n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kks n ASP 35 N 0.67 1.58 -4.41 1.61 2.03 -1.26 -4.97 116.55 111.80 2kks n ASP 35 Ca 0.00 0.19 -0.21 0.00 0.52 0.00 0.00 54.79 55.30 2kks n ASP 35 Cb 0.00 -0.42 -0.10 0.00 -0.72 0.00 0.00 41.12 39.88 2kks n ASP 35 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kks s ASP 36 N -6.57 2.85 0.02 1.67 -1.08 -1.26 -4.49 116.67 107.80 2kks s ASP 36 Ca -0.18 -1.11 0.03 0.00 -0.52 0.00 0.00 52.55 50.77 2kks s ASP 36 Cb 0.07 -0.18 -0.01 0.00 -1.46 0.00 0.00 42.92 41.34 2kks s ASP 36 CO 0.76 -0.23 -0.10 0.00 0.52 0.00 0.00 175.17 176.13 2kks s ARG 37 N -3.66 0.70 -0.21 4.34 3.03 -1.24 -0.99 118.95 120.92 2kks s ARG 37 Ca 0.27 -0.53 0.01 0.00 2.03 0.00 0.00 55.73 57.51 2kks s ARG 37 Cb 0.01 -0.65 0.05 0.00 -1.03 0.00 0.00 34.95 33.33 2kks s ARG 37 CO 0.11 0.16 -0.07 -1.58 -1.13 0.00 0.00 175.30 172.79 2kks s TRP 38 N -0.64 2.34 -0.55 5.89 0.51 0.20 -1.34 118.94 125.34 2kks s TRP 38 Ca -0.00 -1.62 -0.28 0.00 -2.12 0.00 0.00 56.10 52.08 2kks s TRP 38 Cb -0.06 -1.58 0.03 0.00 -0.81 0.00 0.00 33.47 31.05 2kks s TRP 38 CO 0.00 -0.75 1.14 0.08 -0.51 0.00 0.00 176.95 176.92 2kks s VAL 39 N 1.42 4.11 -0.84 4.03 1.01 0.10 -0.57 120.40 129.67 2kks s VAL 39 Ca -0.03 0.89 0.13 0.00 0.00 0.00 0.00 61.98 62.96 2kks s VAL 39 Cb -0.17 -4.67 -0.08 0.00 0.00 0.00 0.00 36.38 31.45 2kks s VAL 39 CO -0.07 -1.24 0.62 -0.62 0.00 0.00 0.00 175.10 173.79 2kks n GLU 40 N 8.17 2.48 -3.78 2.72 1.02 -0.69 -4.26 120.64 126.30 2kks n GLU 40 Ca 0.08 -0.30 -0.13 0.00 -0.02 0.00 0.00 57.16 56.80 2kks n GLU 40 Cb 0.49 -1.12 -0.12 0.00 -0.02 0.00 0.00 31.44 30.67 2kks n GLU 40 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 2kks s ARG 41 N -1.94 0.29 -0.12 3.49 6.06 0.02 -4.96 118.95 121.79 2kks s ARG 41 Ca 0.07 0.36 0.01 0.00 -2.50 0.00 0.00 55.73 53.67 2kks s ARG 41 Cb 0.10 0.13 -0.01 0.00 0.06 0.00 0.00 34.95 35.22 2kks s ARG 41 CO 0.43 -0.04 -0.16 0.08 -2.50 0.00 0.00 175.30 173.11 2kks s VAL 42 N 0.21 2.79 -0.65 7.11 1.01 -1.26 -0.10 120.40 129.50 2kks s VAL 42 Ca -0.01 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2kks s VAL 42 Cb -0.02 -2.15 0.16 0.00 0.00 0.00 0.00 36.38 34.37 2kks s VAL 42 CO -0.00 0.53 0.45 -0.31 0.00 0.00 0.00 175.10 175.77 2kks s TYR 43 N 0.36 3.45 -0.43 5.22 1.51 0.25 -4.97 117.35 122.74 2kks s TYR 43 Ca -0.13 -3.04 -0.23 0.00 -1.01 0.00 0.00 57.07 52.66 2kks s TYR 43 Cb -0.16 -2.99 0.02 0.00 -0.11 0.00 0.00 41.96 38.72 2kks s TYR 43 CO 0.06 -0.73 0.77 -1.25 -1.11 0.00 0.00 175.55 173.30 2kks s PRO 44 N -0.65 3.47 0.69 -1.71 0.05 -1.26 0.12 135.00 135.70 2kks s PRO 44 Ca 0.20 -0.05 -0.04 0.00 0.05 0.00 0.00 61.00 61.17 2kks s PRO 44 Cb -0.17 -3.91 0.08 0.00 0.05 0.00 0.00 34.50 30.55 2kks s PRO 44 CO -0.06 -1.05 0.97 -0.51 0.05 0.00 0.00 177.00 176.39 2kks s LEU 45 N 3.21 2.97 0.71 -3.56 1.02 -1.19 -4.99 118.68 116.85 2kks s LEU 45 Ca 0.29 0.12 0.00 0.00 0.02 0.00 0.00 54.13 54.57 2kks s LEU 45 Cb -0.12 -2.71 0.12 0.00 0.02 0.00 0.00 46.19 43.50 2kks s LEU 45 CO 0.21 -1.64 0.98 0.21 0.02 0.00 0.00 176.35 176.13 2kks s ASN 46 N -4.58 4.41 -0.49 2.29 2.47 -1.26 -4.50 114.94 113.28 2kks s ASN 46 Ca 0.62 -0.40 -0.25 0.00 0.42 0.00 0.00 52.86 53.25 2kks s ASN 46 Cb -0.09 0.00 0.03 0.00 -1.45 0.00 0.00 41.25 39.75 2kks s ASN 46 CO 0.44 -1.82 0.94 0.21 -3.72 0.00 0.00 177.10 173.15 2kks s ASN 47 N -4.73 6.45 0.00 -4.21 3.84 -1.26 -4.77 114.94 110.26 2kks s ASN 47 Ca 0.66 -0.02 0.24 0.00 0.21 0.00 0.00 52.86 53.94 2kks s ASN 47 Cb -0.05 -2.45 1.25 0.00 -0.55 0.00 0.00 41.25 39.45 2kks s ASN 47 CO 0.44 -1.12 1.78 0.18 -2.79 0.00 0.00 177.10 175.59 2kks n LEU 48 N 7.32 0.00 -4.95 3.21 7.99 -0.33 -4.82 117.00 125.41 2kks n LEU 48 Ca 0.05 0.21 -0.26 0.00 -0.01 0.00 0.00 56.01 56.00 2kks n LEU 48 Cb 0.48 -0.21 0.10 0.00 -0.11 0.00 0.00 43.42 43.68 2kks n LEU 48 CO 0.64 -0.05 0.63 -0.62 -1.51 0.00 0.00 177.39 176.48 2kks s ASP 49 N -2.42 4.40 0.00 -1.43 -1.08 -1.26 -4.90 116.67 109.98 2kks s ASP 49 Ca 0.26 0.15 0.22 0.00 -0.52 0.00 0.00 52.55 52.67 2kks s ASP 49 Cb 0.16 -0.63 0.53 0.00 -1.46 0.00 0.00 42.92 41.51 2kks s ASP 49 CO 0.34 -1.85 1.46 0.00 0.52 0.00 0.00 175.17 175.64 2kks n GLN 50 N -3.01 2.53 -5.00 4.34 6.02 -1.26 -4.94 117.38 116.06 2kks n GLN 50 Ca 0.11 -2.33 -0.30 0.00 -0.01 0.00 0.00 57.00 54.46 2kks n GLN 50 Cb 0.60 -1.52 -0.15 0.00 1.02 0.00 0.00 30.24 30.19 2kks n GLN 50 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 2kks s SER 51 N -1.28 3.20 0.37 1.08 0.01 -1.26 -5.01 113.70 110.80 2kks s SER 51 Ca 0.42 -0.54 0.23 0.00 1.31 0.00 0.00 55.95 57.38 2kks s SER 51 Cb 0.23 -0.34 0.37 0.00 0.21 0.00 0.00 66.02 66.49 2kks s SER 51 CO 0.32 0.28 1.55 1.55 0.41 0.00 0.00 173.24 177.35 2kks h PRO 52 N 4.98 0.00 -0.05 12.44 0.13 -1.92 -3.27 132.00 144.31 2kks h PRO 52 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kks h PRO 52 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2kks h PRO 52 CO 0.45 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.61 2kks n GLU 53 N -2.89 2.12 -4.67 0.86 1.02 -1.26 -2.59 120.64 113.22 2kks n GLU 53 Ca 0.04 -1.62 -0.25 0.00 -0.02 0.00 0.00 57.16 55.30 2kks n GLU 53 Cb 0.52 -1.47 -0.14 0.00 -0.02 0.00 0.00 31.44 30.32 2kks n GLU 53 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 2kks s HIS 54 N -1.97 1.70 -0.27 -0.32 3.76 -1.23 -5.01 115.29 111.95 2kks s HIS 54 Ca 0.32 -0.36 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 2kks s HIS 54 Cb 0.20 -1.03 0.05 0.00 1.11 0.00 0.00 32.58 32.92 2kks s HIS 54 CO 0.31 0.05 -0.07 -0.59 -0.85 0.00 0.00 174.74 173.59 2kks s PHE 55 N -0.72 3.25 -0.07 1.40 -0.71 -1.26 -4.63 117.98 115.25 2kks s PHE 55 Ca 0.07 -2.14 0.01 0.00 -1.04 0.00 0.00 56.93 53.82 2kks s PHE 55 Cb -0.08 -1.99 -0.03 0.00 -1.21 0.00 0.00 43.02 39.71 2kks s PHE 55 CO 0.01 -0.85 -0.08 0.45 -1.34 0.00 0.00 175.22 173.41 2kks s SER 56 N 1.16 4.53 0.08 1.98 0.15 -1.26 -4.97 113.70 115.37 2kks s SER 56 Ca -0.07 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.60 2kks s SER 56 Cb -0.20 -1.13 -0.04 0.00 -1.71 0.00 0.00 66.02 62.95 2kks s SER 56 CO -0.04 0.35 -0.17 -0.04 1.20 0.00 0.00 173.24 174.55 2kks s MET 57 N -0.76 1.98 -0.01 5.44 -1.94 -1.26 -1.19 119.30 121.56 2kks s MET 57 Ca 0.12 -1.06 -0.16 0.00 -1.71 0.00 0.00 55.69 52.89 2kks s MET 57 Cb -0.11 -2.18 -0.06 0.00 2.01 0.00 0.00 34.83 34.49 2kks s MET 57 CO 0.01 0.51 0.43 0.34 -0.01 0.00 0.00 175.02 176.30 2kks s ASP 58 N -1.81 6.80 0.20 3.03 -1.08 -1.26 -4.95 116.67 117.61 2kks s ASP 58 Ca 0.17 0.95 0.10 0.00 -0.52 0.00 0.00 52.55 53.25 2kks s ASP 58 Cb -0.11 -2.26 0.08 0.00 -1.46 0.00 0.00 42.92 39.17 2kks s ASP 58 CO 0.08 0.27 1.45 -0.65 0.52 0.00 0.00 175.17 176.84 2kks h PRO 59 N 5.02 0.00 -0.01 4.34 0.11 -2.00 -2.94 132.00 136.52 2kks h PRO 59 Ca -0.50 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 65.36 2kks h PRO 59 Cb 1.21 0.00 0.01 0.00 0.11 0.00 0.00 31.00 32.34 2kks h PRO 59 CO 0.64 0.78 -0.99 0.00 -0.21 0.00 0.00 178.00 178.23 2kks h ARG 60 N 0.00 0.62 -0.28 1.05 3.08 -1.99 -0.74 114.38 116.12 2kks h ARG 60 Ca -0.01 -0.65 -0.13 0.00 0.07 0.00 0.00 59.98 59.26 2kks h ARG 60 Cb 1.43 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.65 2kks h ARG 60 CO 0.10 1.25 -0.35 0.93 -1.07 0.00 0.00 179.97 180.84 2kks h GLU 61 N 0.36 0.63 -0.39 0.04 5.08 -1.99 -0.95 114.58 117.36 2kks h GLU 61 Ca -0.11 -0.30 -0.05 0.00 -1.00 0.00 0.00 59.36 57.91 2kks h GLU 61 Cb 1.63 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.86 2kks h GLU 61 CO 0.19 0.89 0.06 1.96 -1.00 0.00 0.00 179.01 181.11 2kks h GLN 62 N 0.53 0.65 -0.51 2.33 4.20 -1.45 0.20 115.11 121.06 2kks h GLN 62 Ca 0.06 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.62 2kks h GLN 62 Cb 0.85 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.52 2kks h GLN 62 CO 0.07 0.70 0.28 1.25 -0.67 0.00 0.00 178.83 180.47 2kks h LEU 63 N 0.49 0.43 -0.83 1.46 5.85 -0.94 0.21 115.31 121.99 2kks h LEU 63 Ca 0.12 0.02 -0.12 0.00 0.84 0.00 0.00 57.88 58.74 2kks h LEU 63 Cb 0.37 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 2kks h LEU 63 CO 0.01 0.30 -0.39 0.74 -0.34 0.00 0.00 178.44 178.76 2kks h THR 64 N 0.56 1.30 -0.26 1.05 2.02 -1.01 -0.96 112.91 115.61 2kks h THR 64 Ca 0.22 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.83 2kks h THR 64 Cb 0.08 1.60 -0.01 0.00 -1.74 0.00 0.00 68.15 68.08 2kks h THR 64 CO -0.13 0.47 -0.04 0.00 0.37 0.00 0.00 175.52 176.19 2kks h ALA 65 N 1.25 0.35 -0.53 6.16 0.00 0.12 -1.56 119.26 125.05 2kks h ALA 65 Ca 0.03 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2kks h ALA 65 Cb 0.84 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2kks h ALA 65 CO 0.07 0.13 0.11 0.28 0.00 0.00 0.00 179.25 179.84 2kks h VAL 66 N 0.24 1.23 -0.74 0.00 2.07 -0.48 0.43 116.25 118.99 2kks h VAL 66 Ca 0.07 -0.85 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2kks h VAL 66 Cb 0.49 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 2kks h VAL 66 CO 0.02 0.31 0.47 0.11 0.02 0.00 0.00 177.57 178.51 2kks h LYS 67 N 0.80 0.99 -0.07 1.57 1.57 -0.99 0.13 116.57 120.56 2kks h LYS 67 Ca 0.17 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.83 2kks h LYS 67 Cb 0.32 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.42 2kks h LYS 67 CO 0.00 0.67 -0.17 0.22 -0.57 0.00 0.00 179.45 179.60 2kks h ASP 68 N 1.01 0.28 -0.34 0.86 3.58 -0.40 -2.13 116.42 119.27 2kks h ASP 68 Ca 0.27 -0.58 0.05 0.00 0.42 0.00 0.00 57.03 57.19 2kks h ASP 68 Cb -0.09 -0.08 -0.05 0.00 1.72 0.00 0.00 39.33 40.84 2kks h ASP 68 CO -0.06 0.81 0.07 0.24 -2.88 0.00 0.00 179.24 177.43 2kks h MET 69 N -0.24 0.18 -0.83 0.28 2.86 -0.69 0.26 114.93 116.76 2kks h MET 69 Ca -0.00 -0.01 0.01 0.00 -2.06 0.00 0.00 59.70 57.64 2kks h MET 69 Cb 0.77 -0.04 -0.04 0.00 0.06 0.00 0.00 31.60 32.35 2kks h MET 69 CO 0.04 0.12 0.55 -0.09 1.06 0.00 0.00 176.91 178.59 2kks h ARG 70 N 0.19 1.09 -0.12 1.72 9.65 -0.77 0.36 114.38 126.50 2kks h ARG 70 Ca 0.16 -0.07 -0.20 0.00 -1.10 0.00 0.00 59.98 58.78 2kks h ARG 70 Cb 0.18 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 28.52 2kks h ARG 70 CO -0.21 0.72 -0.73 -0.22 2.80 0.00 0.00 179.97 182.32 2kks h LYS 71 N 1.12 0.57 0.00 0.20 3.64 -0.84 -3.15 116.57 118.11 2kks h LYS 71 Ca 0.30 -0.46 -0.01 0.00 -1.27 0.00 0.00 60.65 59.22 2kks h LYS 71 Cb -0.13 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2kks h LYS 71 CO -0.07 1.08 -0.05 -0.97 -2.27 0.00 0.00 179.45 177.17 2kks h ASN 72 N 0.39 0.00 0.00 4.20 -0.73 0.01 -3.47 115.58 115.98 2kks h ASN 72 Ca -0.04 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.13 2kks h ASN 72 Cb 1.33 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.92 2kks h ASN 72 CO 0.14 0.05 0.00 0.61 -0.37 0.00 0.00 177.43 177.86 2kks n GLY 73 N 0.85 1.17 3.93 1.57 0.00 -0.05 -5.07 105.19 107.60 2kks n GLY 73 Ca 0.03 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.80 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 1.58 0.21 1.61 0.51 0.11 -4.94 118.94 116.03 2kks s TRP 74 Ca 0.00 -0.81 0.00 0.00 -2.12 0.00 0.00 56.10 53.17 2kks s TRP 74 Cb 0.00 -1.99 -0.05 0.00 -0.81 0.00 0.00 33.47 30.63 2kks s TRP 74 CO 0.00 -0.64 0.09 0.14 -0.51 0.00 0.00 176.95 176.03 2kks s VAL 75 N -2.74 0.34 -0.10 4.03 -7.23 0.12 -3.46 120.40 111.35 2kks s VAL 75 Ca 0.41 -1.99 -0.23 0.00 -1.81 0.00 0.00 61.98 58.36 2kks s VAL 75 Cb -0.03 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.42 2kks s VAL 75 CO 0.26 -0.11 0.70 -0.32 -0.31 0.00 0.00 175.10 175.31 2kks s MET 76 N -4.06 4.38 -0.15 4.82 1.75 -1.26 -0.60 119.30 124.18 2kks s MET 76 Ca 0.35 0.84 0.18 0.00 -1.25 0.00 0.00 55.69 55.80 2kks s MET 76 Cb 0.07 -3.48 -0.25 0.00 2.84 0.00 0.00 34.83 34.01 2kks s MET 76 CO 0.11 -0.03 0.15 1.28 -0.65 0.00 0.00 175.02 175.88 2kks n LEU 77 N 4.14 0.00 0.00 4.11 4.77 0.64 -4.96 117.00 125.71 2kks n LEU 77 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2kks n LEU 77 Cb 0.51 0.36 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2kks n LEU 77 CO 0.47 0.36 0.00 0.61 -1.33 0.00 0.00 177.39 177.49 2kks n GLY 78 N 1.73 -0.50 3.13 -0.72 0.00 -1.20 -1.96 105.19 105.67 2kks n GLY 78 Ca -0.24 -0.98 -0.08 0.00 0.00 0.00 0.00 46.02 44.72 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 0.35 0.02 1.61 2.20 -0.91 -0.66 114.94 113.55 2kks s ASN 79 Ca 0.00 -0.86 0.08 0.00 -0.94 0.00 0.00 52.86 51.14 2kks s ASN 79 Cb 0.00 0.25 -0.02 0.00 -2.00 0.00 0.00 41.25 39.48 2kks s ASN 79 CO 0.00 -0.64 -0.24 0.72 -2.94 0.00 0.00 177.10 174.00 2kks s PHE 80 N -3.85 2.11 -0.06 1.54 -0.71 -1.18 -1.33 117.98 114.51 2kks s PHE 80 Ca 0.06 -0.40 0.05 0.00 -1.04 0.00 0.00 56.93 55.60 2kks s PHE 80 Cb 0.07 -1.31 -0.01 0.00 -1.21 0.00 0.00 43.02 40.56 2kks s PHE 80 CO -0.10 0.04 -0.23 -1.01 -1.34 0.00 0.00 175.22 172.59 2kks s HIS 81 N -0.69 2.23 0.07 3.49 3.76 0.17 -3.02 115.29 121.32 2kks s HIS 81 Ca 0.10 -0.68 0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2kks s HIS 81 Cb -0.09 -1.48 -0.04 0.00 1.11 0.00 0.00 32.58 32.08 2kks s HIS 81 CO 0.01 -0.22 -0.15 -1.54 -0.85 0.00 0.00 174.74 171.98 2kks s SER 82 N -0.06 4.02 0.00 1.40 1.04 -0.66 -0.42 113.70 119.03 2kks s SER 82 Ca -0.05 -0.43 0.02 0.00 0.48 0.00 0.00 55.95 55.97 2kks s SER 82 Cb -0.13 -0.68 -0.01 0.00 0.10 0.00 0.00 66.02 65.30 2kks s SER 82 CO 0.04 0.22 -0.06 -1.00 0.98 0.00 0.00 173.24 173.42 2kks s HIS 83 N -1.06 0.53 -0.14 5.02 3.76 -0.85 -4.03 115.29 118.53 2kks s HIS 83 Ca 0.17 -0.16 -0.11 0.00 -0.15 0.00 0.00 55.06 54.81 2kks s HIS 83 Cb -0.11 -0.34 -0.08 0.00 1.11 0.00 0.00 32.58 33.17 2kks s HIS 83 CO 0.09 -0.02 0.07 -1.00 -0.85 0.00 0.00 174.74 173.02 2kks h PRO 84 N 5.75 0.00 -0.71 8.40 0.14 -1.91 -1.54 132.00 142.13 2kks h PRO 84 Ca -0.29 0.00 -0.21 0.00 0.14 0.00 0.00 66.00 65.63 2kks h PRO 84 Cb 1.19 0.00 -0.13 0.00 0.14 0.00 0.00 31.00 32.21 2kks h PRO 84 CO 0.49 0.30 0.25 0.00 0.14 0.00 0.00 178.00 179.18 2kks n ALA 85 N -3.19 4.53 -2.68 -0.56 0.00 -1.26 -2.22 120.51 115.13 2kks n ALA 85 Ca -0.09 -2.39 -0.08 0.00 0.00 0.00 0.00 53.44 50.87 2kks n ALA 85 Cb 0.28 -1.21 -0.10 0.00 0.00 0.00 0.00 19.45 18.42 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 -3.01 0.15 0.11 0.00 -4.23 -1.26 -4.94 115.64 102.45 2kks s THR 86 Ca 0.54 -1.20 -0.01 0.00 -1.18 0.00 0.00 61.69 59.85 2kks s THR 86 Cb 0.44 -0.72 0.02 0.00 1.34 0.00 0.00 72.50 73.58 2kks s THR 86 CO 0.13 -0.66 0.15 -0.81 -0.54 0.00 0.00 174.62 172.89 2kks n PRO 87 N 1.05 0.27 -2.38 3.99 -0.04 -1.26 -3.85 135.00 132.79 2kks n PRO 87 Ca -0.20 -0.34 -0.36 0.00 -0.04 0.00 0.00 63.50 62.56 2kks n PRO 87 Cb 0.57 -0.12 -0.03 0.00 -0.04 0.00 0.00 33.50 33.87 2kks n PRO 87 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kks s ALA 88 N -3.23 2.42 0.04 0.55 0.00 -1.26 -4.70 121.76 115.57 2kks s ALA 88 Ca 0.09 -2.12 0.02 0.00 0.00 0.00 0.00 51.96 49.96 2kks s ALA 88 Cb -0.00 -4.56 -0.02 0.00 0.00 0.00 0.00 23.12 18.53 2kks s ALA 88 CO 0.06 -4.04 -0.08 -0.98 0.00 0.00 0.00 175.76 170.72 2kks s ARG 89 N 5.58 0.54 -0.73 0.00 1.70 -1.26 -5.01 118.95 119.77 2kks s ARG 89 Ca 0.56 -0.75 -0.26 0.00 -0.47 0.00 0.00 55.73 54.81 2kks s ARG 89 Cb -0.01 -0.33 -0.02 0.00 -0.57 0.00 0.00 34.95 34.01 2kks s ARG 89 CO -0.03 0.06 1.84 -2.14 -1.08 0.00 0.00 175.30 173.94 2kks s PRO 90 N -1.54 2.67 0.85 3.89 0.02 -1.26 -4.99 135.00 134.65 2kks s PRO 90 Ca -0.09 0.18 -0.12 0.00 0.02 0.00 0.00 61.00 60.99 2kks s PRO 90 Cb -0.10 -4.64 0.11 0.00 0.02 0.00 0.00 34.50 29.89 2kks s PRO 90 CO 0.00 -2.89 1.15 -1.12 -0.33 0.00 0.00 177.00 173.81 2kks s SER 91 N 7.68 4.04 0.22 2.53 0.01 -1.26 -4.73 113.70 122.21 2kks s SER 91 Ca 0.65 0.93 -0.07 0.00 1.31 0.00 0.00 55.95 58.77 2kks s SER 91 Cb -0.10 -1.50 0.30 0.00 0.21 0.00 0.00 66.02 64.93 2kks s SER 91 CO 0.12 -2.21 1.82 0.00 0.41 0.00 0.00 173.24 173.37 2kks h ALA 92 N -1.26 1.02 -0.06 1.44 0.00 -1.99 0.25 119.26 118.67 2kks h ALA 92 Ca -0.48 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.38 2kks h ALA 92 Cb 1.32 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kks h ALA 92 CO 0.63 0.11 -0.21 1.49 0.00 0.00 0.00 179.25 181.27 2kks h GLU 93 N 0.77 0.24 -0.98 0.00 4.57 -2.00 -2.86 114.58 114.32 2kks h GLU 93 Ca 0.34 -0.18 0.04 0.00 -1.18 0.00 0.00 59.36 58.37 2kks h GLU 93 Cb 0.23 0.03 -0.06 0.00 -0.16 0.00 0.00 28.75 28.79 2kks h GLU 93 CO -0.20 0.82 0.65 -0.44 -1.18 0.00 0.00 179.01 178.65 2kks h ASP 94 N -0.29 1.08 -0.90 1.04 3.32 -1.83 -0.37 116.42 118.46 2kks h ASP 94 Ca -0.01 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.05 2kks h ASP 94 Cb 0.84 -0.25 -0.05 0.00 0.22 0.00 0.00 39.33 40.10 2kks h ASP 94 CO 0.04 0.74 0.59 0.50 -1.72 0.00 0.00 179.24 179.39 2kks h LYS 95 N 1.25 1.15 0.03 3.56 3.11 -0.50 -2.77 116.57 122.40 2kks h LYS 95 Ca 0.39 -0.07 -0.24 0.00 -2.81 0.00 0.00 60.65 57.92 2kks h LYS 95 Cb -0.01 -0.26 0.00 0.00 -1.00 0.00 0.00 32.23 30.97 2kks h LYS 95 CO -0.12 0.76 -1.02 0.00 -2.81 0.00 0.00 179.45 176.26 2kks h ARG 96 N 1.19 0.39 -0.76 1.90 3.08 -1.11 -3.30 114.38 115.76 2kks h ARG 96 Ca 0.34 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.92 2kks h ARG 96 Cb -0.09 0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2kks h ARG 96 CO -0.09 1.14 0.00 1.28 -1.07 0.00 0.00 179.97 181.24 2kks n LEU 97 N -3.70 2.02 -4.56 3.04 4.77 -0.23 -4.70 117.00 113.63 2kks n LEU 97 Ca -0.07 -1.02 -0.40 0.00 -0.03 0.00 0.00 56.01 54.49 2kks n LEU 97 Cb 0.88 -0.47 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2kks n LEU 97 CO 0.52 0.33 1.54 0.00 -1.33 0.00 0.00 177.39 178.45 2kks s ALA 98 N -1.52 2.68 0.00 -1.18 0.00 -1.17 -4.60 121.76 115.97 2kks s ALA 98 Ca 0.14 -2.28 0.00 0.00 0.00 0.00 0.00 51.96 49.82 2kks s ALA 98 Cb 0.10 -4.55 0.00 0.00 0.00 0.00 0.00 23.12 18.67 2kks s ALA 98 CO 0.05 -3.73 0.00 1.19 0.00 0.00 0.00 175.76 173.27 2kks n PHE 99 N 9.44 0.00 -2.52 0.00 3.72 -1.26 -4.92 117.46 121.91 2kks n PHE 99 Ca 0.36 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.39 2kks n PHE 99 Cb 0.50 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.00 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 -0.99 6.93 -0.12 4.37 1.01 -1.26 -5.00 116.67 121.61 2kks s ASP 100 Ca 0.00 2.11 -0.13 0.00 0.71 0.00 0.00 52.55 55.25 2kks s ASP 100 Cb 0.00 -2.60 -0.11 0.00 1.01 0.00 0.00 42.92 41.22 2kks s ASP 100 CO 0.00 -0.37 0.29 -0.65 0.21 0.00 0.00 175.17 174.65 2kks h PRO 101 N 2.95 0.00 0.00 8.23 0.11 -1.96 -3.42 132.00 137.90 2kks h PRO 101 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2kks h PRO 101 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kks h PRO 101 CO 0.64 0.43 -0.02 0.43 -0.21 0.00 0.00 178.00 179.26 2kks n SER 102 N -4.69 1.59 -4.82 -2.05 7.64 -1.26 -5.03 113.62 105.00 2kks n SER 102 Ca -0.06 -1.95 -0.38 0.00 1.01 0.00 0.00 58.87 57.49 2kks n SER 102 Cb 0.23 -0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.31 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 -1.02 4.50 -0.01 -3.43 1.43 -1.26 -4.92 118.68 113.97 2kks s LEU 103 Ca 0.04 1.12 -0.23 0.00 -1.03 0.00 0.00 54.13 54.03 2kks s LEU 103 Cb 0.04 -2.76 -0.05 0.00 0.03 0.00 0.00 46.19 43.45 2kks s LEU 103 CO 0.00 0.28 0.70 -0.44 0.23 0.00 0.00 176.35 177.13 2kks s SER 104 N -1.00 7.07 -0.51 2.29 0.01 -0.83 -4.86 113.70 115.88 2kks s SER 104 Ca 0.27 1.29 -0.19 0.00 1.31 0.00 0.00 55.95 58.63 2kks s SER 104 Cb -0.18 -2.42 0.06 0.00 0.21 0.00 0.00 66.02 63.69 2kks s SER 104 CO 0.16 -0.01 0.60 -0.31 0.41 0.00 0.00 173.24 174.09 2kks s TYR 105 N 0.22 3.07 -0.14 2.43 2.02 -0.45 -2.13 117.35 122.37 2kks s TYR 105 Ca 0.36 -0.61 -0.16 0.00 -0.37 0.00 0.00 57.07 56.29 2kks s TYR 105 Cb -0.19 -3.51 -0.04 0.00 -0.40 0.00 0.00 41.96 37.81 2kks s TYR 105 CO 0.20 -1.01 0.38 -0.51 -1.57 0.00 0.00 175.55 173.03 2kks s LEU 106 N 2.50 4.26 -0.14 -1.29 1.02 -0.44 0.22 118.68 124.80 2kks s LEU 106 Ca 0.13 0.65 0.01 0.00 0.02 0.00 0.00 54.13 54.94 2kks s LEU 106 Cb -0.20 -2.52 -0.00 0.00 0.02 0.00 0.00 46.19 43.49 2kks s LEU 106 CO 0.11 0.05 -0.17 -0.63 0.02 0.00 0.00 176.35 175.73 2kks s ILE 107 N 0.54 2.55 -0.17 -0.59 1.01 -0.29 0.44 121.20 124.69 2kks s ILE 107 Ca 0.21 -0.82 -0.06 0.00 0.00 0.00 0.00 60.65 59.98 2kks s ILE 107 Cb -0.14 -2.06 -0.03 0.00 0.01 0.00 0.00 42.46 40.24 2kks s ILE 107 CO 0.07 0.53 0.02 -0.63 0.00 0.00 0.00 174.94 174.92 2kks s ILE 108 N 0.69 4.39 -0.33 2.92 1.01 0.44 -1.94 121.20 128.39 2kks s ILE 108 Ca -0.08 -0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.24 2kks s ILE 108 Cb -0.16 -2.96 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2kks s ILE 108 CO 0.02 0.47 0.36 -0.55 0.00 0.00 0.00 174.94 175.24 2kks s SER 109 N 0.40 6.19 0.00 3.58 0.15 0.88 -2.00 113.70 122.89 2kks s SER 109 Ca 0.00 -0.13 0.24 0.00 0.70 0.00 0.00 55.95 56.76 2kks s SER 109 Cb -0.13 -2.20 0.24 0.00 -1.71 0.00 0.00 66.02 62.23 2kks s SER 109 CO 0.01 -0.30 1.29 0.18 1.20 0.00 0.00 173.24 175.62 2kks n LEU 110 N 5.37 3.11 0.05 3.45 7.99 -0.58 -3.25 117.00 133.15 2kks n LEU 110 Ca -0.09 -1.12 0.00 0.00 -0.01 0.00 0.00 56.01 54.79 2kks n LEU 110 Cb 0.50 -0.06 0.31 0.00 -0.11 0.00 0.00 43.42 44.05 2kks n LEU 110 CO 0.40 0.56 0.86 0.00 -1.51 0.00 0.00 177.39 177.69 2kks h ALA 111 N 4.66 1.35 -3.10 -1.18 0.00 -1.55 -3.32 119.26 116.11 2kks h ALA 111 Ca 0.00 -0.25 -0.69 0.00 0.00 0.00 0.00 54.91 53.97 2kks h ALA 111 Cb 1.00 -0.12 -0.36 0.00 0.00 0.00 0.00 17.79 18.31 2kks h ALA 111 CO 0.00 0.44 -0.32 -2.00 0.00 0.00 0.00 179.25 177.37 2kks s GLU 112 N -4.72 2.72 0.13 0.00 2.56 -1.26 -4.93 118.70 113.19 2kks s GLU 112 Ca -0.06 -2.81 0.19 0.00 0.00 0.00 0.00 54.97 52.29 2kks s GLU 112 Cb 0.15 -3.74 0.81 0.00 2.00 0.00 0.00 34.13 33.34 2kks s GLU 112 CO 0.76 -1.20 1.60 -2.30 -0.56 0.00 0.00 175.26 173.55 2kks n PRO 113 N 3.02 0.10 0.07 4.30 -0.02 -1.25 -2.23 135.00 138.99 2kks n PRO 113 Ca 0.12 0.33 -0.04 0.00 -2.02 0.00 0.00 63.50 61.90 2kks n PRO 113 Cb 0.37 -1.69 0.18 0.00 -0.02 0.00 0.00 33.50 32.35 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 0.31 -1.27 -0.52 1.08 -1.94 -3.39 115.11 109.39 2kks h GLN 114 Ca 0.00 -0.16 -0.18 0.00 -1.45 0.00 0.00 58.65 56.86 2kks h GLN 114 Cb 0.32 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 27.54 2kks h GLN 114 CO 0.00 0.69 -0.54 0.15 -0.95 0.00 0.00 178.83 178.18 2kks s LYS 115 N -4.11 0.88 -0.33 1.46 -0.14 -0.95 -5.11 119.74 111.44 2kks s LYS 115 Ca -0.05 -0.77 -0.27 0.00 -1.36 0.00 0.00 55.97 53.51 2kks s LYS 115 Cb 0.13 -0.21 -0.06 0.00 -1.68 0.00 0.00 37.83 36.02 2kks s LYS 115 CO 0.79 -1.25 2.27 -2.14 -0.76 0.00 0.00 175.35 174.25 2kks s PRO 116 N 1.31 2.73 -0.13 -1.68 0.02 -0.98 -4.82 135.00 131.46 2kks s PRO 116 Ca 0.22 1.75 -0.29 0.00 0.02 0.00 0.00 61.00 62.69 2kks s PRO 116 Cb -0.04 -4.45 -0.02 0.00 0.02 0.00 0.00 34.50 30.01 2kks s PRO 116 CO -0.06 -2.56 1.26 0.08 -0.33 0.00 0.00 177.00 175.39 2kks s VAL 117 N 9.77 4.24 -0.15 3.83 1.01 -1.20 -4.75 120.40 133.14 2kks s VAL 117 Ca 0.98 1.52 -0.00 0.00 0.00 0.00 0.00 61.98 64.48 2kks s VAL 117 Cb -0.26 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.13 2kks s VAL 117 CO 0.31 -0.10 -0.14 0.00 0.00 0.00 0.00 175.10 175.18 2kks s LYS 119 N 0.76 1.41 -0.15 0.00 1.02 -0.82 -4.87 119.74 117.09 2kks s LYS 119 Ca -0.06 -1.55 -0.05 0.00 0.02 0.00 0.00 55.97 54.34 2kks s LYS 119 Cb -0.15 -1.44 -0.03 0.00 -0.52 0.00 0.00 37.83 35.69 2kks s LYS 119 CO 0.01 0.28 0.02 0.45 -0.92 0.00 0.00 175.35 175.18 2kks s SER 120 N -3.02 5.27 -0.09 2.83 0.15 -1.16 -1.14 113.70 116.54 2kks s SER 120 Ca 0.21 0.04 0.03 0.00 0.70 0.00 0.00 55.95 56.93 2kks s SER 120 Cb -0.05 -1.78 0.01 0.00 -1.71 0.00 0.00 66.02 62.49 2kks s SER 120 CO 0.09 0.23 -0.19 -0.36 1.20 0.00 0.00 173.24 174.21 2kks s PHE 121 N 0.01 2.11 -0.41 3.44 0.08 0.13 0.39 117.98 123.73 2kks s PHE 121 Ca 0.03 -0.84 -0.13 0.00 0.12 0.00 0.00 56.93 56.12 2kks s PHE 121 Cb -0.13 -1.45 0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2kks s PHE 121 CO 0.02 -0.36 0.27 -0.51 -0.10 0.00 0.00 175.22 174.54 2kks s LEU 122 N 0.47 5.06 -0.26 -0.37 1.43 0.74 -1.34 118.68 124.41 2kks s LEU 122 Ca -0.17 -1.12 -0.10 0.00 -1.03 0.00 0.00 54.13 51.71 2kks s LEU 122 Cb -0.17 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.92 2kks s LEU 122 CO 0.07 -0.48 0.15 -0.63 0.23 0.00 0.00 176.35 175.69 2kks s ILE 123 N 1.58 5.03 0.67 -0.59 1.01 -1.26 0.12 121.20 127.75 2kks s ILE 123 Ca 0.03 0.07 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 2kks s ILE 123 Cb -0.21 -3.38 0.15 0.00 0.01 0.00 0.00 42.46 39.04 2kks s ILE 123 CO 0.07 0.29 0.91 0.29 0.00 0.00 0.00 174.94 176.49 2kks n LYS 124 N 4.90 -0.76 0.10 2.79 5.02 0.26 -4.95 118.16 125.52 2kks n LYS 124 Ca -0.15 -1.54 -0.13 0.00 -2.02 0.00 0.00 58.31 54.48 2kks n LYS 124 Cb 0.52 -0.89 -0.06 0.00 -0.02 0.00 0.00 35.03 34.58 2kks n LYS 124 CO 0.00 0.00 0.00 -0.22 -0.52 0.00 0.00 177.40 176.66 2kks h LYS 125 N 0.00 -0.51 -2.16 1.97 3.64 -1.98 -3.30 116.57 114.22 2kks h LYS 125 Ca -0.29 0.03 -0.58 0.00 -1.27 0.00 0.00 60.65 58.54 2kks h LYS 125 Cb 0.85 0.12 -0.40 0.00 -0.41 0.00 0.00 32.23 32.38 2kks h LYS 125 CO 0.22 -0.34 -0.90 -3.47 -2.27 0.00 0.00 179.45 172.69 2kks n ASP 126 N -5.42 1.39 0.00 4.20 -0.08 -1.26 -5.06 116.55 110.33 2kks n ASP 126 Ca -0.06 -2.92 0.00 0.00 -1.51 0.00 0.00 54.79 50.29 2kks n ASP 126 Cb 0.33 -0.65 0.00 0.00 2.34 0.00 0.00 41.12 43.14 2kks n ASP 126 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kks n GLY 127 N 1.42 2.40 3.34 0.27 0.00 -1.25 -5.15 105.19 106.22 2kks n GLY 127 Ca 0.25 -0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.95 2.84 -0.33 1.61 0.11 -1.26 0.89 120.40 123.30 2kks s VAL 128 Ca 0.00 -0.74 -0.12 0.00 -2.93 0.00 0.00 61.98 58.19 2kks s VAL 128 Cb 0.00 -2.17 -0.02 0.00 -1.53 0.00 0.00 36.38 32.66 2kks s VAL 128 CO 0.00 0.53 0.22 -1.81 -3.33 0.00 0.00 175.10 170.71 2kks s ASP 129 N 0.35 5.96 -0.14 3.54 1.01 0.12 -4.95 116.67 122.57 2kks s ASP 129 Ca -0.13 -0.41 -0.28 0.00 0.71 0.00 0.00 52.55 52.44 2kks s ASP 129 Cb -0.16 -2.11 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 2kks s ASP 129 CO 0.06 -0.21 0.95 -1.61 0.21 0.00 0.00 175.17 174.57 2kks s GLU 130 N 1.71 4.37 0.06 8.23 2.02 -1.26 -0.19 118.70 133.64 2kks s GLU 130 Ca 0.06 1.26 0.05 0.00 0.02 0.00 0.00 54.97 56.36 2kks s GLU 130 Cb -0.17 -3.56 -0.04 0.00 0.10 0.00 0.00 34.13 30.46 2kks s GLU 130 CO 0.10 -0.34 -0.07 -2.00 0.02 0.00 0.00 175.26 172.97 2kks s GLU 131 N 2.13 2.37 0.36 1.61 2.56 0.16 -4.98 118.70 122.91 2kks s GLU 131 Ca 0.45 -0.88 -0.02 0.00 0.00 0.00 0.00 54.97 54.52 2kks s GLU 131 Cb -0.17 -2.42 -0.04 0.00 2.00 0.00 0.00 34.13 33.50 2kks s GLU 131 CO 0.15 0.55 0.60 -1.21 -0.56 0.00 0.00 175.26 174.79 2kks s GLU 132 N -1.92 3.54 -0.10 4.30 2.02 -1.26 -3.00 118.70 122.28 2kks s GLU 132 Ca 0.21 -0.12 0.03 0.00 0.02 0.00 0.00 54.97 55.11 2kks s GLU 132 Cb -0.11 -2.59 -0.01 0.00 0.10 0.00 0.00 34.13 31.52 2kks s GLU 132 CO 0.12 0.09 -0.21 0.42 0.02 0.00 0.00 175.26 175.70 2kks s ILE 133 N -2.35 2.32 -0.20 -1.63 1.01 -1.26 -2.87 121.20 116.22 2kks s ILE 133 Ca 0.43 -0.93 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2kks s ILE 133 Cb -0.10 -1.90 -0.05 0.00 0.01 0.00 0.00 42.46 40.42 2kks s ILE 133 CO 0.36 0.55 0.12 -0.63 0.00 0.00 0.00 174.94 175.34 2kks s ILE 134 N 0.25 5.28 -0.07 2.92 1.09 -0.04 -5.00 121.20 125.62 2kks s ILE 134 Ca -0.14 0.14 -0.01 0.00 -1.10 0.00 0.00 60.65 59.54 2kks s ILE 134 Cb -0.17 -3.40 -0.03 0.00 -1.06 0.00 0.00 42.46 37.79 2kks s ILE 134 CO 0.07 0.45 0.00 -0.76 -0.10 0.00 0.00 174.94 174.60 2kks s LEU 135 N 0.35 3.58 0.09 2.97 1.43 -1.25 -1.45 118.68 124.39 2kks s LEU 135 Ca 0.07 0.12 0.08 0.00 -1.03 0.00 0.00 54.13 53.37 2kks s LEU 135 Cb -0.11 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.20 2kks s LEU 135 CO -0.02 0.36 -0.21 -0.54 0.23 0.00 0.00 176.35 176.17 2kks s LYS 136 N -1.04 1.17 0.19 1.70 1.02 -0.76 -4.97 119.74 117.06 2kks s LYS 136 Ca 0.15 -1.12 0.14 0.00 0.02 0.00 0.00 55.97 55.16 2kks s LYS 136 Cb -0.11 -1.41 -0.04 0.00 -0.52 0.00 0.00 37.83 35.75 2kks s LYS 136 CO 0.04 0.33 1.26 0.93 -0.92 0.00 0.00 175.35 177.00 2kks h GLU 137 N 4.23 0.00 -5.76 1.68 3.07 -1.95 0.27 114.58 116.12 2kks h GLU 137 Ca -0.45 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 57.82 2kks h GLU 137 Cb 1.18 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 28.95 2kks h GLU 137 CO 0.40 0.56 -0.66 -2.00 -1.40 0.00 0.00 179.01 175.91 2kks s GLU 138 N -2.89 1.78 0.99 2.33 2.12 -1.26 -4.62 118.70 117.15 2kks s GLU 138 Ca 0.02 -1.94 -0.11 0.00 0.36 0.00 0.00 54.97 53.30 2kks s GLU 138 Cb 0.08 -1.54 0.19 0.00 0.26 0.00 0.00 34.13 33.12 2kks s GLU 138 CO 0.78 0.06 1.10 -0.51 -0.54 0.00 0.00 175.26 176.15 2kks s LEU 139 N -3.59 2.14 0.73 2.70 1.43 -1.26 -4.82 118.68 116.01 2kks s LEU 139 Ca 0.33 1.90 -0.12 0.00 -1.03 0.00 0.00 54.13 55.21 2kks s LEU 139 Cb 0.05 -4.14 0.03 0.00 0.03 0.00 0.00 46.19 42.16 2kks s LEU 139 CO 0.16 -3.40 1.10 -0.70 0.23 0.00 0.00 176.35 173.74 2kks s GLU 140 N -4.62 2.46 -1.08 1.70 -6.30 -1.26 -4.93 118.70 104.67 2kks s GLU 140 Ca 0.67 1.26 -0.15 0.00 -2.50 0.00 0.00 54.97 54.24 2kks s GLU 140 Cb -0.23 -1.92 0.17 0.00 0.00 0.00 0.00 34.13 32.15 2kks s GLU 140 CO 0.60 -1.49 1.26 -3.38 0.02 0.00 0.00 175.26 172.27 2kks s HIS 141 N -2.68 3.45 -0.56 5.30 -3.43 -1.26 -4.52 115.29 111.59 2kks s HIS 141 Ca 0.63 -1.92 0.06 0.00 -0.80 0.00 0.00 55.06 53.04 2kks s HIS 141 Cb -0.18 -4.24 -0.00 0.00 -1.43 0.00 0.00 32.58 26.73 2kks s HIS 141 CO 0.50 -1.37 0.49 -2.39 -2.00 0.00 0.00 174.74 169.97 2kks n HIS 142 N 5.62 0.00 0.00 0.38 1.44 -1.26 -5.04 115.22 116.35 2kks n HIS 142 Ca 0.30 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.01 2kks n HIS 142 Cb 0.45 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.56 2kks n HIS 142 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2kks n HIS 143 N -0.36 0.00 -3.65 -1.40 8.25 -1.26 -5.16 115.22 111.64 2kks n HIS 143 Ca 0.03 0.00 -0.16 0.00 -0.26 0.00 0.00 57.72 57.33 2kks n HIS 143 Cb 0.13 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.09 2kks n HIS 143 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2kks s HIS 144 N -2.00 -0.26 -0.10 4.41 2.46 -1.26 -5.04 115.29 113.49 2kks s HIS 144 Ca 0.00 0.69 -0.06 0.00 0.47 0.00 0.00 55.06 56.16 2kks s HIS 144 Cb 0.00 -0.20 0.04 0.00 -0.13 0.00 0.00 32.58 32.29 2kks s HIS 144 CO 0.00 -0.33 0.24 -1.58 -2.47 0.00 0.00 174.74 170.60 2kks s HIS 145 N 2.34 -0.32 -2.46 3.88 5.04 -1.26 -5.28 115.29 117.23 2kks s HIS 145 Ca 0.03 0.76 0.28 0.00 -1.54 0.00 0.00 55.06 54.59 2kks s HIS 145 Cb -0.12 0.05 1.11 0.00 0.04 0.00 0.00 32.58 33.67 2kks s HIS 145 CO -0.07 -0.21 1.78 0.72 -2.34 0.00 0.00 174.74 174.62