#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 3.51 -0.21 3.17 2.07 -0.37 -3.92 121.20 125.45 2kks s ILE 2 Ca 0.00 -0.49 -0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2kks s ILE 2 Cb 0.00 -2.52 0.00 0.00 0.13 0.00 0.00 42.46 40.07 2kks s ILE 2 CO 0.00 0.50 -0.08 -0.89 -1.91 0.00 0.00 174.94 172.56 2kks s THR 3 N 0.43 3.00 0.09 4.00 2.01 -0.67 -0.38 115.64 124.11 2kks s THR 3 Ca -0.06 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.31 2kks s THR 3 Cb -0.15 -2.36 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2kks s THR 3 CO 0.04 0.44 -0.07 -1.48 -0.69 0.00 0.00 174.62 172.86 2kks s LEU 4 N 1.42 2.47 0.56 4.42 0.05 -0.66 -0.81 118.68 126.13 2kks s LEU 4 Ca 0.05 -0.93 -0.03 0.00 0.05 0.00 0.00 54.13 53.27 2kks s LEU 4 Cb -0.14 -0.10 0.02 0.00 -2.05 0.00 0.00 46.19 43.92 2kks s LEU 4 CO -0.06 -0.42 0.84 0.42 -0.55 0.00 0.00 176.35 176.58 2kks s THR 5 N -3.24 3.38 0.27 5.48 -4.23 -1.26 0.41 115.64 116.46 2kks s THR 5 Ca 0.08 -0.28 -0.00 0.00 -1.18 0.00 0.00 61.69 60.31 2kks s THR 5 Cb 0.03 -3.32 0.26 0.00 1.34 0.00 0.00 72.50 70.81 2kks s THR 5 CO -0.04 -0.28 1.83 0.11 -0.54 0.00 0.00 174.62 175.70 2kks h LYS 6 N -0.04 0.92 -0.28 3.99 1.79 -1.50 -1.20 116.57 120.26 2kks h LYS 6 Ca -0.45 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 57.99 2kks h LYS 6 Cb 1.27 -0.21 -0.03 0.00 -1.58 0.00 0.00 32.23 31.68 2kks h LYS 6 CO 0.58 0.61 0.10 -0.22 -1.08 0.00 0.00 179.45 179.44 2kks h LYS 7 N 0.95 0.22 -0.97 3.15 3.64 -1.88 0.86 116.57 122.54 2kks h LYS 7 Ca 0.47 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.84 2kks h LYS 7 Cb 0.44 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.16 2kks h LYS 7 CO -0.26 0.14 0.62 1.96 -2.27 0.00 0.00 179.45 179.64 2kks h GLN 8 N 0.22 1.29 -0.32 1.90 1.08 -1.69 0.51 115.11 118.10 2kks h GLN 8 Ca 0.12 -0.09 -0.01 0.00 -1.45 0.00 0.00 58.65 57.22 2kks h GLN 8 Cb 0.09 -0.28 -0.01 0.00 -0.05 0.00 0.00 27.48 27.22 2kks h GLN 8 CO -0.12 0.87 0.17 1.98 -0.95 0.00 0.00 178.83 180.78 2kks h MET 9 N 1.32 0.45 -0.89 1.46 4.05 -0.82 -0.82 114.93 119.68 2kks h MET 9 Ca 0.35 -0.06 -0.02 0.00 -0.28 0.00 0.00 59.70 59.70 2kks h MET 9 Cb -0.11 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 30.56 2kks h MET 9 CO -0.07 0.40 0.49 0.93 0.23 0.00 0.00 176.91 178.89 2kks h GLU 10 N 0.39 1.24 -0.58 0.39 4.39 0.10 0.36 114.58 120.87 2kks h GLU 10 Ca 0.11 -0.14 -0.10 0.00 0.34 0.00 0.00 59.36 59.57 2kks h GLU 10 Cb 0.08 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 2kks h GLU 10 CO -0.02 0.91 -0.01 1.49 -1.16 0.00 0.00 179.01 180.21 2kks h GLU 11 N 1.25 1.03 -0.11 2.33 4.81 0.24 0.14 114.58 124.26 2kks h GLU 11 Ca 0.32 -0.34 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2kks h GLU 11 Cb 0.02 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 2kks h GLU 11 CO -0.05 1.02 -0.14 0.52 -0.73 0.00 0.00 179.01 179.63 2kks h MET 12 N 0.92 0.29 -0.44 1.92 2.86 -0.81 -2.89 114.93 116.78 2kks h MET 12 Ca 0.16 -0.17 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kks h MET 12 Cb 0.57 0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.22 2kks h MET 12 CO 0.03 0.72 0.28 -0.07 1.06 0.00 0.00 176.91 178.94 2kks h LEU 13 N -0.12 0.51 -0.39 1.22 3.38 -0.11 0.17 115.31 119.98 2kks h LEU 13 Ca 0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2kks h LEU 13 Cb 0.68 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 2kks h LEU 13 CO 0.03 0.38 0.21 0.00 0.09 0.00 0.00 178.44 179.15 2kks h ALA 14 N 1.15 0.49 -0.50 1.53 0.00 -0.82 -1.40 119.26 119.73 2kks h ALA 14 Ca 0.16 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 2kks h ALA 14 Cb -0.05 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 2kks h ALA 14 CO -0.03 0.02 0.13 1.25 0.00 0.00 0.00 179.25 180.62 2kks h HIS 15 N 0.49 0.76 0.16 0.00 -0.00 -1.25 -0.86 115.15 114.46 2kks h HIS 15 Ca 0.14 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2kks h HIS 15 Cb 0.06 -0.23 -0.00 0.00 -0.00 0.00 0.00 27.41 27.24 2kks h HIS 15 CO -0.02 0.64 -0.10 0.00 -0.00 0.00 0.00 177.93 178.45 2kks h ALA 16 N 1.42 -0.24 -0.45 5.26 0.00 -0.06 0.02 119.26 125.20 2kks h ALA 16 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2kks h ALA 16 Cb 0.26 0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2kks h ALA 16 CO -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 179.25 178.53 2kks h ARG 17 N -0.25 0.80 0.00 0.00 3.08 -1.02 -0.41 114.38 116.57 2kks h ARG 17 Ca -0.01 -0.25 -0.04 0.00 0.07 0.00 0.00 59.98 59.75 2kks h ARG 17 Cb 0.21 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 2kks h ARG 17 CO 0.01 0.85 -0.18 1.96 -1.07 0.00 0.00 179.97 181.54 2kks h GLN 18 N 0.73 0.00 0.00 0.04 4.20 -0.95 -2.69 115.11 116.43 2kks h GLN 18 Ca 0.13 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.84 2kks h GLN 18 Cb 0.55 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2kks h GLN 18 CO 0.03 0.18 -1.16 0.00 -0.67 0.00 0.00 178.83 177.21 2kks n ALA 19 N -2.31 3.33 -1.72 3.87 0.00 -0.03 -4.95 120.51 118.70 2kks n ALA 19 Ca -0.02 -0.42 -0.38 0.00 0.00 0.00 0.00 53.44 52.63 2kks n ALA 19 Cb 0.30 -0.94 0.05 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.04 5.38 -1.91 0.00 4.77 -0.23 -1.11 117.00 121.86 2kks n LEU 20 Ca 0.01 0.91 -0.19 0.00 -0.03 0.00 0.00 56.01 56.71 2kks n LEU 20 Cb 0.46 -1.54 0.07 0.00 -2.33 0.00 0.00 43.42 40.08 2kks n LEU 20 CO 0.41 -0.92 1.17 -0.81 -1.33 0.00 0.00 177.39 175.91 2kks n PRO 21 N -1.28 1.93 -3.64 3.23 -0.04 -1.26 -5.03 135.00 128.90 2kks n PRO 21 Ca 0.13 -1.95 -0.30 0.00 -0.04 0.00 0.00 63.50 61.34 2kks n PRO 21 Cb 0.46 -1.76 -0.04 0.00 -0.04 0.00 0.00 33.50 32.11 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 -0.37 6.46 -0.00 3.54 0.01 -0.27 -4.87 114.94 119.44 2kks s ASN 22 Ca 0.38 0.56 -0.30 0.00 -0.71 0.00 0.00 52.86 52.78 2kks s ASN 22 Cb 0.30 -2.08 -0.09 0.00 0.41 0.00 0.00 41.25 39.80 2kks s ASN 22 CO 0.02 0.00 2.01 -0.62 -1.51 0.00 0.00 177.10 177.00 2kks n GLU 23 N -0.20 2.72 -2.24 -0.60 4.71 -1.26 -4.85 120.64 118.92 2kks n GLU 23 Ca -0.03 0.97 -0.42 0.00 -0.01 0.00 0.00 57.16 57.67 2kks n GLU 23 Cb 0.52 -3.03 -0.03 0.00 -1.01 0.00 0.00 31.44 27.90 2kks n GLU 23 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2kks s ALA 24 N 4.98 3.56 0.37 0.62 0.00 -1.20 -4.72 121.76 125.37 2kks s ALA 24 Ca 0.91 0.93 0.08 0.00 0.00 0.00 0.00 51.96 53.88 2kks s ALA 24 Cb -0.43 -3.56 -0.06 0.00 0.00 0.00 0.00 23.12 19.06 2kks s ALA 24 CO 0.42 -0.79 0.04 0.00 0.00 0.00 0.00 175.76 175.43 2kks n GLY 26 N -1.00 -0.52 3.41 0.00 0.00 -1.07 -4.23 105.19 101.78 2kks n GLY 26 Ca -0.04 -1.28 -0.21 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.12 0.99 1.43 0.63 -1.98 118.68 122.19 2kks s LEU 27 Ca 0.00 -1.06 -0.00 0.00 -1.03 0.00 0.00 54.13 52.04 2kks s LEU 27 Cb 0.00 -0.81 -0.02 0.00 0.03 0.00 0.00 46.19 45.39 2kks s LEU 27 CO 0.00 -0.14 -0.11 -0.76 0.23 0.00 0.00 176.35 175.57 2kks s LEU 28 N -3.41 2.82 0.03 1.79 1.43 -0.01 -1.18 118.68 120.16 2kks s LEU 28 Ca 0.26 -0.27 0.07 0.00 -1.03 0.00 0.00 54.13 53.17 2kks s LEU 28 Cb -0.01 -1.63 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 2kks s LEU 28 CO 0.11 0.20 -0.21 -0.83 0.23 0.00 0.00 176.35 175.84 2kks s GLY 29 N 0.17 1.13 0.00 -3.19 0.00 -0.60 -1.11 107.32 103.72 2kks s GLY 29 Ca -0.06 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.61 2kks s GLY 29 CO 0.04 -0.95 0.00 0.61 0.00 0.00 0.00 173.10 172.81 2kks n GLY 30 N 2.01 -0.58 3.61 0.20 0.00 -0.87 -1.99 105.19 107.57 2kks n GLY 30 Ca -0.17 -0.67 -0.32 0.00 0.00 0.00 0.00 46.02 44.86 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 -1.39 2.52 0.12 1.61 0.52 -0.66 -0.55 118.95 121.14 2kks s ARG 31 Ca 0.00 -0.76 0.05 0.00 -0.52 0.00 0.00 55.73 54.50 2kks s ARG 31 Cb 0.00 -2.49 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 2kks s ARG 31 CO 0.00 0.59 -0.11 -0.98 0.02 0.00 0.00 175.30 174.81 2kks s ARG 32 N -1.59 0.98 0.00 3.54 1.70 -1.26 -0.40 118.95 121.92 2kks s ARG 32 Ca 0.18 -1.29 0.00 0.00 -0.47 0.00 0.00 55.73 54.15 2kks s ARG 32 Cb -0.11 -0.68 0.00 0.00 -0.57 0.00 0.00 34.95 33.58 2kks s ARG 32 CO 0.09 0.11 0.00 -3.47 -1.08 0.00 0.00 175.30 170.95 2kks n ASP 33 N 0.26 0.49 -0.10 -2.89 2.03 0.11 -4.98 116.55 111.47 2kks n ASP 33 Ca -0.14 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.12 2kks n ASP 33 Cb 0.59 0.00 0.01 0.00 -0.72 0.00 0.00 41.12 40.99 2kks n ASP 33 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kks h GLY 34 N 0.00 0.22 0.00 0.27 0.00 -2.06 -3.37 103.07 98.13 2kks h GLY 34 Ca 0.00 0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.47 2kks h GLY 34 CO 0.00 -0.15 -0.08 1.34 0.00 0.00 0.00 176.54 177.65 2kks n ASP 35 N -5.30 0.42 -4.76 0.19 2.03 -1.26 -5.08 116.55 102.79 2kks n ASP 35 Ca 0.01 -0.05 -0.40 0.00 0.52 0.00 0.00 54.79 54.86 2kks n ASP 35 Cb 0.22 0.19 -0.04 0.00 -0.72 0.00 0.00 41.12 40.77 2kks n ASP 35 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kks s ASP 36 N -0.28 7.25 -0.08 1.67 1.11 -1.26 -4.74 116.67 120.34 2kks s ASP 36 Ca 0.00 2.25 0.00 0.00 0.18 0.00 0.00 52.55 54.99 2kks s ASP 36 Cb 0.00 -2.62 0.02 0.00 1.07 0.00 0.00 42.92 41.39 2kks s ASP 36 CO 0.00 -0.17 -0.08 0.00 1.18 0.00 0.00 175.17 176.11 2kks s ARG 37 N -1.26 1.36 -0.21 8.23 3.03 -1.25 0.06 118.95 128.91 2kks s ARG 37 Ca 0.45 -0.23 0.00 0.00 2.03 0.00 0.00 55.73 57.98 2kks s ARG 37 Cb -0.32 -1.36 0.02 0.00 -1.03 0.00 0.00 34.95 32.27 2kks s ARG 37 CO 0.40 -0.16 -0.15 -1.58 -1.13 0.00 0.00 175.30 172.68 2kks s TRP 38 N 1.33 2.92 -0.59 5.89 0.51 0.47 -1.67 118.94 127.80 2kks s TRP 38 Ca -0.03 -1.66 -0.23 0.00 -2.12 0.00 0.00 56.10 52.06 2kks s TRP 38 Cb -0.14 -1.96 0.06 0.00 -0.81 0.00 0.00 33.47 30.61 2kks s TRP 38 CO -0.03 -0.78 0.91 0.08 -0.51 0.00 0.00 176.95 176.62 2kks s VAL 39 N 1.29 4.43 -0.09 4.03 1.01 0.01 -1.65 120.40 129.43 2kks s VAL 39 Ca 0.02 -0.10 0.15 0.00 0.00 0.00 0.00 61.98 62.06 2kks s VAL 39 Cb -0.15 -4.57 -0.17 0.00 0.00 0.00 0.00 36.38 31.50 2kks s VAL 39 CO -0.09 -1.22 0.77 -0.62 0.00 0.00 0.00 175.10 173.94 2kks n GLU 40 N 7.39 0.62 -3.71 2.72 1.02 -1.04 -4.36 120.64 123.28 2kks n GLU 40 Ca -0.02 0.25 -0.11 0.00 -0.02 0.00 0.00 57.16 57.26 2kks n GLU 40 Cb 0.46 -1.81 -0.11 0.00 -0.02 0.00 0.00 31.44 29.97 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 -2.81 0.40 -0.12 3.49 6.06 -0.84 -5.01 118.95 120.12 2kks s ARG 41 Ca -0.03 0.70 -0.12 0.00 -2.50 0.00 0.00 55.73 53.77 2kks s ARG 41 Cb 0.08 0.04 -0.05 0.00 0.06 0.00 0.00 34.95 35.09 2kks s ARG 41 CO 0.82 -0.13 0.27 0.08 -2.50 0.00 0.00 175.30 173.84 2kks s VAL 42 N 1.04 5.30 -0.63 7.11 1.01 -1.26 -1.55 120.40 131.41 2kks s VAL 42 Ca -0.07 0.51 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2kks s VAL 42 Cb -0.07 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.88 2kks s VAL 42 CO -0.09 0.47 0.42 -0.31 0.00 0.00 0.00 175.10 175.59 2kks s TYR 43 N -0.13 3.41 -0.90 5.22 2.02 -0.32 -4.95 117.35 121.69 2kks s TYR 43 Ca 0.17 -3.14 -0.24 0.00 -0.37 0.00 0.00 57.07 53.49 2kks s TYR 43 Cb -0.13 -2.90 0.05 0.00 -0.40 0.00 0.00 41.96 38.58 2kks s TYR 43 CO 0.05 -0.70 1.36 -1.25 -1.57 0.00 0.00 175.55 173.44 2kks s PRO 44 N -0.72 3.43 1.04 -1.71 0.05 -1.26 -0.27 135.00 135.56 2kks s PRO 44 Ca 0.20 -0.83 -0.12 0.00 0.05 0.00 0.00 61.00 60.30 2kks s PRO 44 Cb -0.17 -4.88 0.21 0.00 0.05 0.00 0.00 34.50 29.72 2kks s PRO 44 CO -0.07 -2.15 1.07 -0.51 0.05 0.00 0.00 177.00 175.39 2kks s LEU 45 N 5.10 1.46 0.47 -3.56 2.01 -1.26 -4.91 118.68 118.00 2kks s LEU 45 Ca 0.41 1.38 -0.24 0.00 0.01 0.00 0.00 54.13 55.69 2kks s LEU 45 Cb -0.04 -3.51 -0.07 0.00 0.01 0.00 0.00 46.19 42.58 2kks s LEU 45 CO -0.00 -3.45 1.33 0.21 1.01 0.00 0.00 176.35 175.45 2kks s ASN 46 N -3.09 5.86 -0.59 2.29 2.47 -1.26 -4.60 114.94 116.02 2kks s ASN 46 Ca 0.66 2.71 -0.28 0.00 0.42 0.00 0.00 52.86 56.37 2kks s ASN 46 Cb -0.21 -2.64 0.03 0.00 -1.45 0.00 0.00 41.25 36.99 2kks s ASN 46 CO 0.60 -1.16 1.20 0.21 -3.72 0.00 0.00 177.10 174.23 2kks s ASN 47 N -0.83 6.43 -0.06 -4.21 3.84 -1.26 -4.69 114.94 114.16 2kks s ASN 47 Ca 0.63 0.07 -0.27 0.00 0.21 0.00 0.00 52.86 53.51 2kks s ASN 47 Cb -0.39 -2.55 -0.22 0.00 -0.55 0.00 0.00 41.25 37.54 2kks s ASN 47 CO 0.48 -1.51 1.12 -0.07 -2.79 0.00 0.00 177.10 174.34 2kks h LEU 48 N 12.00 0.00 -7.72 3.21 -0.00 -1.65 -3.44 115.31 117.71 2kks h LEU 48 Ca -0.25 -0.64 -0.39 0.00 -0.00 0.00 0.00 57.88 56.60 2kks h LEU 48 Cb 1.06 -0.00 -0.34 0.00 -0.00 0.00 0.00 40.66 41.38 2kks h LEU 48 CO 1.19 0.64 -0.77 -0.62 -0.00 0.00 0.00 178.44 178.89 2kks s ASP 49 N -5.85 0.79 0.17 -0.43 -1.08 -1.20 -5.01 116.67 104.05 2kks s ASP 49 Ca -0.17 -0.10 -0.14 0.00 -0.52 0.00 0.00 52.55 51.61 2kks s ASP 49 Cb 0.00 -0.38 0.06 0.00 -1.46 0.00 0.00 42.92 41.14 2kks s ASP 49 CO 0.68 -0.06 1.83 0.06 0.52 0.00 0.00 175.17 178.20 2kks h GLN 50 N 7.13 0.62 -3.94 4.34 3.07 -1.86 -3.16 115.11 121.31 2kks h GLN 50 Ca -0.39 -0.04 0.00 0.00 0.09 0.00 0.00 58.65 58.31 2kks h GLN 50 Cb 1.15 -0.14 0.00 0.00 0.08 0.00 0.00 27.48 28.57 2kks h GLN 50 CO 0.48 0.41 -0.98 0.43 0.09 0.00 0.00 178.83 179.26 2kks n SER 51 N -4.76 -9.04 -0.24 0.06 7.64 -1.26 -4.27 113.62 101.74 2kks n SER 51 Ca 0.03 1.48 0.12 0.00 1.01 0.00 0.00 58.87 61.51 2kks n SER 51 Cb 0.04 -5.23 0.40 0.00 -1.01 0.00 0.00 64.21 58.40 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 1.37 0.63 0.00 1.43 0.13 -2.01 -3.25 132.00 130.30 2kks h PRO 52 Ca 0.00 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 65.09 2kks h PRO 52 Cb 0.25 -0.14 0.00 0.00 0.13 0.00 0.00 31.00 31.24 2kks h PRO 52 CO 0.00 0.42 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 2kks n GLU 53 N -4.53 0.00 -0.61 0.86 1.02 -1.26 -5.04 120.64 111.07 2kks n GLU 53 Ca 0.16 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 2kks n GLU 53 Cb 0.44 -0.41 0.00 0.00 -0.02 0.00 0.00 31.44 31.45 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 0.00 -0.10 -3.97 -0.32 8.25 -1.23 -4.93 115.22 112.92 2kks n HIS 54 Ca 0.00 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 2kks n HIS 54 Cb 0.26 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.28 2kks n HIS 54 CO 0.00 0.00 0.00 -0.59 0.64 0.00 0.00 176.34 176.39 2kks s PHE 55 N 0.49 0.28 -0.17 4.41 -0.71 -1.26 -4.49 117.98 116.52 2kks s PHE 55 Ca 0.00 -0.64 -0.08 0.00 -1.04 0.00 0.00 56.93 55.17 2kks s PHE 55 Cb 0.00 -0.20 0.07 0.00 -1.21 0.00 0.00 43.02 41.68 2kks s PHE 55 CO 0.00 -0.36 0.39 -1.12 -1.34 0.00 0.00 175.22 172.79 2kks s SER 56 N -2.26 -0.37 0.20 1.98 0.01 -1.20 -4.96 113.70 107.09 2kks s SER 56 Ca -0.03 0.87 0.07 0.00 1.31 0.00 0.00 55.95 58.17 2kks s SER 56 Cb 0.00 0.88 -0.05 0.00 0.21 0.00 0.00 66.02 67.06 2kks s SER 56 CO -0.06 -0.20 -0.14 -0.04 0.41 0.00 0.00 173.24 173.21 2kks s MET 57 N 1.75 1.29 0.16 12.44 -1.94 -1.26 -1.59 119.30 130.16 2kks s MET 57 Ca -0.07 -1.57 -0.17 0.00 -1.71 0.00 0.00 55.69 52.17 2kks s MET 57 Cb -0.10 -1.05 -0.07 0.00 2.01 0.00 0.00 34.83 35.61 2kks s MET 57 CO -0.12 0.17 0.62 0.34 -0.01 0.00 0.00 175.02 176.02 2kks s ASP 58 N -3.30 6.95 0.36 3.03 -1.08 -1.26 -4.95 116.67 116.42 2kks s ASP 58 Ca 0.22 1.24 0.15 0.00 -0.52 0.00 0.00 52.55 53.63 2kks s ASP 58 Cb -0.00 -2.35 1.05 0.00 -1.46 0.00 0.00 42.92 40.16 2kks s ASP 58 CO 0.06 0.10 1.71 1.55 0.52 0.00 0.00 175.17 179.12 2kks h PRO 59 N 3.66 0.41 -0.47 4.34 0.13 -2.01 0.31 132.00 138.37 2kks h PRO 59 Ca -0.48 -0.02 -0.05 0.00 -0.87 0.00 0.00 66.00 64.57 2kks h PRO 59 Cb 1.20 -0.09 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 2kks h PRO 59 CO 0.65 0.27 0.08 0.00 -0.23 0.00 0.00 178.00 178.77 2kks h ARG 60 N 0.42 0.77 -0.60 0.86 3.08 -1.98 0.14 114.38 117.06 2kks h ARG 60 Ca 0.67 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 60.48 2kks h ARG 60 Cb 1.54 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.47 2kks h ARG 60 CO -0.45 0.78 0.25 0.93 -1.07 0.00 0.00 179.97 180.41 2kks h GLU 61 N 0.64 0.89 -0.27 0.04 4.39 -1.39 -0.97 114.58 117.91 2kks h GLU 61 Ca 0.14 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.59 2kks h GLU 61 Cb 0.38 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2kks h GLU 61 CO 0.01 0.75 -0.21 1.96 -1.16 0.00 0.00 179.01 180.36 2kks h GLN 62 N 0.83 0.63 -0.82 2.33 4.20 -0.98 -2.02 115.11 119.28 2kks h GLN 62 Ca 0.20 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 2kks h GLN 62 Cb 0.19 -0.00 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2kks h GLN 62 CO -0.02 0.90 0.49 1.25 -0.67 0.00 0.00 178.83 180.78 2kks h LEU 63 N 0.36 0.98 -0.64 1.46 5.85 -0.58 -0.33 115.31 122.40 2kks h LEU 63 Ca 0.05 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.60 2kks h LEU 63 Cb 0.75 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 2kks h LEU 63 CO 0.05 0.75 -0.16 0.74 -0.34 0.00 0.00 178.44 179.49 2kks h THR 64 N 1.13 1.27 -0.29 1.05 2.02 -1.05 -0.77 112.91 116.26 2kks h THR 64 Ca 0.29 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 66.14 2kks h THR 64 Cb -0.05 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2kks h THR 64 CO -0.06 0.44 0.01 0.00 0.37 0.00 0.00 175.52 176.29 2kks h ALA 65 N 1.02 0.39 -0.33 6.16 0.00 -0.60 -2.48 119.26 123.42 2kks h ALA 65 Ca 0.12 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 2kks h ALA 65 Cb 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2kks h ALA 65 CO 0.05 0.12 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 2kks h VAL 66 N 0.30 1.20 -0.31 0.00 2.07 -1.01 -0.75 116.25 117.74 2kks h VAL 66 Ca 0.08 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.82 2kks h VAL 66 Cb 0.42 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2kks h VAL 66 CO 0.01 0.27 0.15 0.50 0.02 0.00 0.00 177.57 178.53 2kks h LYS 67 N 0.49 0.31 -0.20 1.57 3.64 -0.84 0.26 116.57 121.80 2kks h LYS 67 Ca 0.10 -0.02 -0.18 0.00 -1.27 0.00 0.00 60.65 59.29 2kks h LYS 67 Cb 0.35 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.10 2kks h LYS 67 CO 0.01 0.21 -0.60 0.22 -2.27 0.00 0.00 179.45 177.01 2kks h ASP 68 N 0.32 0.75 -0.14 4.20 1.82 -1.18 -2.40 116.42 119.79 2kks h ASP 68 Ca 0.13 -0.42 -0.01 0.00 -0.39 0.00 0.00 57.03 56.34 2kks h ASP 68 Cb 0.04 -0.22 -0.01 0.00 0.68 0.00 0.00 39.33 39.83 2kks h ASP 68 CO -0.09 1.18 0.06 -0.03 -1.61 0.00 0.00 179.24 178.75 2kks h MET 69 N 0.49 0.20 0.00 0.28 4.05 -0.76 -2.67 114.93 116.53 2kks h MET 69 Ca -0.00 -0.03 -0.06 0.00 -0.28 0.00 0.00 59.70 59.32 2kks h MET 69 Cb 1.18 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 31.94 2kks h MET 69 CO 0.12 0.27 -0.30 -0.09 0.23 0.00 0.00 176.91 177.13 2kks h ARG 70 N 0.09 0.00 -0.91 0.39 2.43 -0.51 0.78 114.38 116.64 2kks h ARG 70 Ca 0.05 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2kks h ARG 70 Cb 0.13 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2kks h ARG 70 CO -0.01 0.30 0.53 -0.22 -1.51 0.00 0.00 179.97 179.07 2kks h LYS 71 N 0.00 1.25 0.00 0.20 3.64 -1.07 -2.31 116.57 118.28 2kks h LYS 71 Ca -0.00 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 2kks h LYS 71 Cb 0.66 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2kks h LYS 71 CO 0.04 0.88 -0.79 -0.91 -2.27 0.00 0.00 179.45 176.41 2kks h ASN 72 N 1.26 0.00 0.00 4.20 4.21 -1.42 -3.48 115.58 120.36 2kks h ASN 72 Ca 0.33 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.81 2kks h ASN 72 Cb -0.03 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.17 2kks h ASN 72 CO -0.06 0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.70 2kks n GLY 73 N 1.18 1.35 3.95 2.83 0.00 -0.87 -5.11 105.19 108.52 2kks n GLY 73 Ca 0.01 0.00 -0.23 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 3.47 0.26 1.61 0.51 0.22 -4.93 118.94 118.08 2kks s TRP 74 Ca 0.00 0.28 0.07 0.00 -2.12 0.00 0.00 56.10 54.33 2kks s TRP 74 Cb 0.00 -1.87 -0.05 0.00 -0.81 0.00 0.00 33.47 30.74 2kks s TRP 74 CO 0.00 0.14 -0.09 0.14 -0.51 0.00 0.00 176.95 176.63 2kks s VAL 75 N -2.28 1.74 -0.23 4.03 -7.23 0.29 -3.72 120.40 113.00 2kks s VAL 75 Ca 0.40 -2.17 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 2kks s VAL 75 Cb -0.09 -2.35 -0.01 0.00 0.56 0.00 0.00 36.38 34.49 2kks s VAL 75 CO 0.35 -0.37 1.31 -0.32 -0.31 0.00 0.00 175.10 175.75 2kks s MET 76 N -3.69 4.05 0.08 4.82 1.75 -1.26 -2.06 119.30 123.00 2kks s MET 76 Ca 0.28 1.47 0.14 0.00 -1.25 0.00 0.00 55.69 56.33 2kks s MET 76 Cb 0.02 -3.84 -0.14 0.00 2.84 0.00 0.00 34.83 33.71 2kks s MET 76 CO 0.11 -0.94 0.96 -0.07 -0.65 0.00 0.00 175.02 174.42 2kks h LEU 77 N 10.41 0.00 0.00 4.11 3.38 -1.46 -3.49 115.31 128.26 2kks h LEU 77 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 2kks h LEU 77 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2kks h LEU 77 CO 1.00 0.74 0.00 0.61 0.09 0.00 0.00 178.44 180.88 2kks n GLY 78 N 1.40 -0.26 3.46 0.83 0.00 -1.24 -1.45 105.19 107.93 2kks n GLY 78 Ca -0.08 -0.75 -0.15 0.00 0.00 0.00 0.00 46.02 45.05 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 0.87 -0.00 1.61 2.20 0.03 -0.83 114.94 114.83 2kks s ASN 79 Ca 0.00 -1.47 -0.04 0.00 -0.94 0.00 0.00 52.86 50.42 2kks s ASN 79 Cb 0.00 0.63 -0.00 0.00 -2.00 0.00 0.00 41.25 39.88 2kks s ASN 79 CO 0.00 -1.23 0.06 0.72 -2.94 0.00 0.00 177.10 173.71 2kks s PHE 80 N -3.23 0.08 -0.12 1.54 -0.71 -0.84 -0.57 117.98 114.14 2kks s PHE 80 Ca 0.31 -0.17 -0.05 0.00 -1.04 0.00 0.00 56.93 55.99 2kks s PHE 80 Cb 0.00 -0.07 0.06 0.00 -1.21 0.00 0.00 43.02 41.80 2kks s PHE 80 CO 0.20 -0.18 0.24 -3.38 -1.34 0.00 0.00 175.22 170.76 2kks s HIS 81 N -1.00 -0.37 0.18 3.49 -3.43 0.59 -2.59 115.29 112.16 2kks s HIS 81 Ca -0.11 0.88 0.08 0.00 -0.80 0.00 0.00 55.06 55.11 2kks s HIS 81 Cb -0.06 -0.04 -0.04 0.00 -1.43 0.00 0.00 32.58 31.00 2kks s HIS 81 CO 0.00 -0.31 -0.06 -1.12 -2.00 0.00 0.00 174.74 171.25 2kks s SER 82 N 2.09 4.45 0.00 7.38 0.01 -0.18 -3.63 113.70 123.82 2kks s SER 82 Ca -0.01 -0.51 0.06 0.00 1.31 0.00 0.00 55.95 56.79 2kks s SER 82 Cb -0.12 -0.83 -0.03 0.00 0.21 0.00 0.00 66.02 65.25 2kks s SER 82 CO -0.08 0.10 -0.16 -1.00 0.41 0.00 0.00 173.24 172.50 2kks s HIS 83 N -1.73 2.62 -0.16 2.43 3.76 0.55 -3.23 115.29 119.52 2kks s HIS 83 Ca 0.26 -0.22 -0.27 0.00 -0.15 0.00 0.00 55.06 54.68 2kks s HIS 83 Cb -0.09 -1.54 -0.24 0.00 1.11 0.00 0.00 32.58 31.83 2kks s HIS 83 CO 0.17 0.21 0.60 -1.00 -0.85 0.00 0.00 174.74 173.87 2kks h PRO 84 N 4.90 0.00 0.00 8.40 0.14 -1.88 0.18 132.00 143.74 2kks h PRO 84 Ca -0.47 0.00 -0.03 0.00 0.14 0.00 0.00 66.00 65.64 2kks h PRO 84 Cb 1.15 0.00 -0.06 0.00 0.14 0.00 0.00 31.00 32.23 2kks h PRO 84 CO 0.49 0.99 -0.54 0.00 0.14 0.00 0.00 178.00 179.09 2kks n ALA 85 N -2.85 3.29 -2.57 -0.56 0.00 -1.26 -1.79 120.51 114.76 2kks n ALA 85 Ca -0.17 -3.04 -0.08 0.00 0.00 0.00 0.00 53.44 50.15 2kks n ALA 85 Cb 0.54 -0.42 -0.10 0.00 0.00 0.00 0.00 19.45 19.47 2kks n ALA 85 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kks s THR 86 N -2.61 0.16 1.18 0.00 -4.23 -1.26 -4.95 115.64 103.92 2kks s THR 86 Ca 0.36 -1.30 -0.15 0.00 -1.18 0.00 0.00 61.69 59.43 2kks s THR 86 Cb 0.36 -0.94 0.28 0.00 1.34 0.00 0.00 72.50 73.54 2kks s THR 86 CO -0.07 -0.72 1.03 -2.84 -0.54 0.00 0.00 174.62 171.48 2kks s PRO 87 N -2.77 -1.04 -1.10 3.99 0.02 -1.26 -4.50 135.00 128.33 2kks s PRO 87 Ca -0.04 0.59 -0.07 0.00 0.02 0.00 0.00 61.00 61.50 2kks s PRO 87 Cb -0.00 -1.56 0.29 0.00 0.02 0.00 0.00 34.50 33.24 2kks s PRO 87 CO -0.06 -3.74 1.21 0.00 -0.33 0.00 0.00 177.00 174.09 2kks n ALA 88 N -4.89 4.50 -3.42 -1.55 0.00 -1.26 -4.81 120.51 109.08 2kks n ALA 88 Ca 0.05 -4.71 -0.15 0.00 0.00 0.00 0.00 53.44 48.63 2kks n ALA 88 Cb 0.56 -2.39 -0.07 0.00 0.00 0.00 0.00 19.45 17.54 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 -1.75 0.83 0.50 0.00 0.52 -1.26 -4.97 118.95 112.83 2kks s ARG 89 Ca 0.31 0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.59 2kks s ARG 89 Cb -0.05 0.39 -0.08 0.00 0.52 0.00 0.00 34.95 35.73 2kks s ARG 89 CO -0.03 -0.22 1.03 -1.25 0.02 0.00 0.00 175.30 174.86 2kks s PRO 90 N -0.84 3.75 0.28 3.54 0.04 -1.26 -5.08 135.00 135.43 2kks s PRO 90 Ca -0.09 1.29 0.03 0.00 0.04 0.00 0.00 61.00 62.27 2kks s PRO 90 Cb -0.03 -2.09 0.05 0.00 0.04 0.00 0.00 34.50 32.47 2kks s PRO 90 CO 0.06 -0.47 0.38 -1.13 0.04 0.00 0.00 177.00 175.88 2kks n SER 91 N -1.18 0.82 -0.04 6.66 3.41 -1.26 -4.87 113.62 117.17 2kks n SER 91 Ca 0.09 -1.62 -0.10 0.00 -0.26 0.00 0.00 58.87 56.98 2kks n SER 91 Cb 0.53 -0.22 -0.04 0.00 -0.26 0.00 0.00 64.21 64.22 2kks n SER 91 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2kks h ALA 92 N 0.05 0.23 -0.37 7.33 0.00 -1.99 0.07 119.26 124.59 2kks h ALA 92 Ca -0.13 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 2kks h ALA 92 Cb 0.55 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2kks h ALA 92 CO 0.17 -0.28 -0.21 0.93 0.00 0.00 0.00 179.25 179.86 2kks h GLU 93 N 0.23 0.72 -0.19 0.00 3.07 -1.99 -2.21 114.58 114.21 2kks h GLU 93 Ca 0.07 -0.28 -0.13 0.00 -0.50 0.00 0.00 59.36 58.52 2kks h GLU 93 Cb -0.00 -0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 27.86 2kks h GLU 93 CO -0.01 0.87 -0.42 0.22 -1.40 0.00 0.00 179.01 178.27 2kks h ASP 94 N 0.63 0.47 0.26 1.42 3.58 -1.87 -2.82 116.42 118.07 2kks h ASP 94 Ca 0.09 -0.21 -0.12 0.00 0.42 0.00 0.00 57.03 57.21 2kks h ASP 94 Cb 0.70 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.61 2kks h ASP 94 CO 0.05 0.83 -0.48 0.50 -2.88 0.00 0.00 179.24 177.26 2kks h LYS 95 N 0.36 0.27 0.00 0.28 3.11 -0.71 -3.09 116.57 116.79 2kks h LYS 95 Ca 0.03 -0.15 0.00 0.00 -2.81 0.00 0.00 60.65 57.72 2kks h LYS 95 Cb 0.89 0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.13 2kks h LYS 95 CO 0.08 0.70 0.00 0.00 -2.81 0.00 0.00 179.45 177.41 2kks h ARG 96 N 0.22 0.00 0.00 1.90 3.08 -1.15 -3.05 114.38 115.38 2kks h ARG 96 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2kks h ARG 96 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2kks h ARG 96 CO 0.08 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.26 2kks n LEU 97 N -2.86 0.00 -4.46 3.04 4.77 -1.17 -4.64 117.00 111.68 2kks n LEU 97 Ca 0.03 0.32 -0.43 0.00 -0.03 0.00 0.00 56.01 55.90 2kks n LEU 97 Cb 0.40 -0.32 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 2kks n LEU 97 CO 0.29 -0.00 0.88 0.00 -1.33 0.00 0.00 177.39 177.23 2kks s ALA 98 N -2.64 3.14 -0.23 -1.18 0.00 -1.16 -4.79 121.76 114.91 2kks s ALA 98 Ca 0.26 -2.10 0.15 0.00 0.00 0.00 0.00 51.96 50.27 2kks s ALA 98 Cb 0.20 -3.97 0.74 0.00 0.00 0.00 0.00 23.12 20.09 2kks s ALA 98 CO 0.47 -2.91 1.67 1.19 0.00 0.00 0.00 175.76 176.18 2kks n PHE 99 N 7.55 1.79 -3.64 0.00 3.72 -1.26 -4.88 117.46 120.73 2kks n PHE 99 Ca 0.06 -0.78 -0.27 0.00 -0.05 0.00 0.00 57.45 56.41 2kks n PHE 99 Cb 0.47 -0.47 -0.03 0.00 -0.94 0.00 0.00 39.48 38.51 2kks n PHE 99 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 2kks s ASP 100 N -1.11 6.38 -0.09 4.37 -4.77 -1.26 -5.03 116.67 115.16 2kks s ASP 100 Ca 0.51 0.42 0.06 0.00 -3.30 0.00 0.00 52.55 50.25 2kks s ASP 100 Cb 0.40 -2.02 -0.24 0.00 -1.09 0.00 0.00 42.92 39.97 2kks s ASP 100 CO 0.14 -0.08 0.48 -0.81 0.70 0.00 0.00 175.17 175.60 2kks n PRO 101 N -0.82 0.68 -1.19 2.11 -0.04 -1.26 -4.78 135.00 129.70 2kks n PRO 101 Ca -0.05 0.26 -0.01 0.00 -0.04 0.00 0.00 63.50 63.67 2kks n PRO 101 Cb 0.54 -1.73 -0.02 0.00 -0.04 0.00 0.00 33.50 32.25 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 -3.19 0.13 -4.86 3.54 7.64 -1.26 -5.08 113.62 110.54 2kks n SER 102 Ca -0.25 -1.95 -0.33 0.00 1.01 0.00 0.00 58.87 57.36 2kks n SER 102 Cb 1.06 -0.05 -0.06 0.00 -1.01 0.00 0.00 64.21 64.15 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 0.00 4.23 -0.20 -3.43 1.43 -1.26 -4.98 118.68 114.46 2kks s LEU 103 Ca 0.17 0.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.15 2kks s LEU 103 Cb 0.20 -3.53 -0.05 0.00 0.03 0.00 0.00 46.19 42.83 2kks s LEU 103 CO -0.09 -0.01 0.14 -0.44 0.23 0.00 0.00 176.35 176.18 2kks s SER 104 N -2.12 6.21 -0.42 2.29 0.01 -0.53 -4.69 113.70 114.45 2kks s SER 104 Ca 0.44 0.23 -0.02 0.00 1.31 0.00 0.00 55.95 57.91 2kks s SER 104 Cb -0.13 -2.09 0.11 0.00 0.21 0.00 0.00 66.02 64.13 2kks s SER 104 CO 0.20 0.17 0.22 -0.31 0.41 0.00 0.00 173.24 173.93 2kks s TYR 105 N 0.40 3.58 0.12 2.43 1.51 -0.30 -0.79 117.35 124.31 2kks s TYR 105 Ca 0.08 -2.49 -0.28 0.00 -1.01 0.00 0.00 57.07 53.38 2kks s TYR 105 Cb -0.11 -3.20 -0.06 0.00 -0.11 0.00 0.00 41.96 38.47 2kks s TYR 105 CO -0.01 -0.96 0.88 -0.51 -1.11 0.00 0.00 175.55 173.84 2kks s LEU 106 N 1.01 4.52 -0.14 -1.29 1.02 0.27 -0.06 118.68 124.00 2kks s LEU 106 Ca 0.09 1.70 0.00 0.00 0.02 0.00 0.00 54.13 55.94 2kks s LEU 106 Cb -0.22 -3.45 0.03 0.00 0.02 0.00 0.00 46.19 42.56 2kks s LEU 106 CO -0.04 0.02 -0.11 -0.63 0.02 0.00 0.00 176.35 175.61 2kks s ILE 107 N -0.33 1.35 -0.14 -0.59 1.01 -0.48 -0.30 121.20 121.72 2kks s ILE 107 Ca 0.42 -0.55 -0.05 0.00 0.00 0.00 0.00 60.65 60.47 2kks s ILE 107 Cb -0.23 -1.34 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2kks s ILE 107 CO 0.28 0.37 0.04 -0.63 0.00 0.00 0.00 174.94 175.00 2kks s ILE 108 N 1.57 4.64 -0.34 2.92 1.01 -1.24 -2.83 121.20 126.93 2kks s ILE 108 Ca 0.04 -0.10 -0.10 0.00 0.00 0.00 0.00 60.65 60.49 2kks s ILE 108 Cb -0.13 -3.04 0.01 0.00 0.01 0.00 0.00 42.46 39.31 2kks s ILE 108 CO -0.09 0.53 0.18 -0.55 0.00 0.00 0.00 174.94 175.00 2kks s SER 109 N -0.17 5.62 0.00 3.58 0.15 -0.19 -0.33 113.70 122.37 2kks s SER 109 Ca 0.07 -0.78 0.17 0.00 0.70 0.00 0.00 55.95 56.11 2kks s SER 109 Cb -0.12 -2.01 0.56 0.00 -1.71 0.00 0.00 66.02 62.74 2kks s SER 109 CO 0.02 -0.29 1.43 0.18 1.20 0.00 0.00 173.24 175.77 2kks n LEU 110 N 4.98 1.98 0.04 3.45 7.99 0.64 -3.26 117.00 132.82 2kks n LEU 110 Ca -0.13 -0.90 0.04 0.00 -0.01 0.00 0.00 56.01 55.01 2kks n LEU 110 Cb 0.47 -0.18 0.44 0.00 -0.11 0.00 0.00 43.42 44.04 2kks n LEU 110 CO 0.35 0.45 1.12 0.00 -1.51 0.00 0.00 177.39 177.80 2kks h ALA 111 N 3.95 1.70 -3.25 -1.18 0.00 -1.49 -3.27 119.26 115.72 2kks h ALA 111 Ca 0.00 -0.05 -0.63 0.00 0.00 0.00 0.00 54.91 54.23 2kks h ALA 111 Cb 0.54 -0.14 -0.41 0.00 0.00 0.00 0.00 17.79 17.78 2kks h ALA 111 CO 0.00 0.26 -0.60 -1.83 0.00 0.00 0.00 179.25 177.07 2kks s GLU 112 N -5.35 2.19 0.00 0.00 -1.05 -1.26 -4.95 118.70 108.27 2kks s GLU 112 Ca -0.08 -2.95 0.17 0.00 -0.15 0.00 0.00 54.97 51.97 2kks s GLU 112 Cb 0.17 -3.36 0.84 0.00 -0.44 0.00 0.00 34.13 31.34 2kks s GLU 112 CO 0.73 -1.19 1.52 -2.30 0.95 0.00 0.00 175.26 174.96 2kks n PRO 113 N 2.60 0.20 0.14 -4.83 -0.02 -1.24 -1.98 135.00 129.87 2kks n PRO 113 Ca 0.11 0.14 -0.01 0.00 -2.02 0.00 0.00 63.50 61.72 2kks n PRO 113 Cb 0.33 -1.50 0.18 0.00 -0.02 0.00 0.00 33.50 32.49 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 0.01 -0.63 -0.52 4.20 -1.93 -3.39 115.11 112.86 2kks h GLN 114 Ca 0.00 -0.01 -0.12 0.00 0.06 0.00 0.00 58.65 58.58 2kks h GLN 114 Cb 0.19 0.00 -0.15 0.00 0.30 0.00 0.00 27.48 27.81 2kks h GLN 114 CO 0.00 0.61 -0.38 1.17 -0.67 0.00 0.00 178.83 179.56 2kks n LYS 115 N -3.82 0.45 -1.68 1.46 4.81 -1.00 -5.14 118.16 113.24 2kks n LYS 115 Ca -0.01 -1.64 -0.44 0.00 -0.87 0.00 0.00 58.31 55.34 2kks n LYS 115 Cb 0.60 -1.04 -0.04 0.00 0.02 0.00 0.00 35.03 34.58 2kks n LYS 115 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2kks n PRO 116 N 2.61 2.53 -2.30 1.64 -0.04 -0.84 -4.90 135.00 133.70 2kks n PRO 116 Ca 0.14 0.92 -0.43 0.00 -0.04 0.00 0.00 63.50 64.10 2kks n PRO 116 Cb 0.60 -2.79 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 2kks n PRO 116 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2kks s VAL 117 N 2.90 4.07 -0.14 0.52 1.01 -1.20 -4.84 120.40 122.72 2kks s VAL 117 Ca 0.85 1.28 0.02 0.00 0.00 0.00 0.00 61.98 64.13 2kks s VAL 117 Cb -0.57 -3.85 0.00 0.00 0.00 0.00 0.00 36.38 31.97 2kks s VAL 117 CO 0.41 -0.14 -0.19 0.00 0.00 0.00 0.00 175.10 175.19 2kks s LYS 119 N 0.70 0.94 -0.20 0.00 1.02 -1.13 -4.86 119.74 116.20 2kks s LYS 119 Ca -0.09 -1.45 -0.04 0.00 0.02 0.00 0.00 55.97 54.41 2kks s LYS 119 Cb -0.16 0.24 -0.02 0.00 -0.52 0.00 0.00 37.83 37.37 2kks s LYS 119 CO 0.01 -0.27 -0.03 0.45 -0.92 0.00 0.00 175.35 174.60 2kks s SER 120 N -3.05 4.56 -0.14 2.83 0.15 -1.25 -1.38 113.70 115.42 2kks s SER 120 Ca 0.25 -0.29 -0.01 0.00 0.70 0.00 0.00 55.95 56.60 2kks s SER 120 Cb 0.07 -1.78 -0.02 0.00 -1.71 0.00 0.00 66.02 62.59 2kks s SER 120 CO 0.02 0.04 -0.10 -0.36 1.20 0.00 0.00 173.24 174.04 2kks s PHE 121 N 1.15 2.88 -0.46 3.44 0.08 0.91 0.61 117.98 126.60 2kks s PHE 121 Ca 0.02 -0.51 -0.15 0.00 0.12 0.00 0.00 56.93 56.41 2kks s PHE 121 Cb -0.15 -1.88 0.06 0.00 -0.57 0.00 0.00 43.02 40.49 2kks s PHE 121 CO 0.00 -0.13 0.38 -0.51 -0.10 0.00 0.00 175.22 174.85 2kks s LEU 122 N 0.31 5.53 -0.27 -0.37 1.43 0.15 -1.15 118.68 124.31 2kks s LEU 122 Ca -0.08 -1.24 -0.20 0.00 -1.03 0.00 0.00 54.13 51.58 2kks s LEU 122 Cb -0.15 -2.18 -0.02 0.00 0.03 0.00 0.00 46.19 43.87 2kks s LEU 122 CO 0.05 -0.61 0.61 -0.63 0.23 0.00 0.00 176.35 176.00 2kks s ILE 123 N 1.65 4.98 0.00 -0.59 1.09 -1.26 -0.22 121.20 126.85 2kks s ILE 123 Ca 0.04 0.99 0.00 0.00 -1.10 0.00 0.00 60.65 60.58 2kks s ILE 123 Cb -0.23 -3.94 0.00 0.00 -1.06 0.00 0.00 42.46 37.23 2kks s ILE 123 CO 0.07 -0.03 0.00 0.29 -0.10 0.00 0.00 174.94 175.18 2kks n LYS 124 N 5.75 2.11 0.20 2.79 4.76 0.13 -4.81 118.16 129.09 2kks n LYS 124 Ca -0.01 0.00 -0.15 0.00 -2.87 0.00 0.00 58.31 55.28 2kks n LYS 124 Cb 0.49 0.00 -0.08 0.00 -1.84 0.00 0.00 35.03 33.60 2kks n LYS 124 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2kks h LYS 125 N 0.00 -0.45 -0.11 1.97 1.63 -1.93 -3.26 116.57 114.42 2kks h LYS 125 Ca 0.00 0.03 -0.22 0.00 -0.85 0.00 0.00 60.65 59.61 2kks h LYS 125 Cb 0.00 0.10 0.01 0.00 -0.60 0.00 0.00 32.23 31.74 2kks h LYS 125 CO 0.00 -0.26 -0.82 -0.44 -3.45 0.00 0.00 179.45 174.48 2kks h ASP 126 N -0.54 0.84 0.00 4.20 3.32 -2.00 -3.49 116.42 118.75 2kks h ASP 126 Ca -0.05 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.43 2kks h ASP 126 Cb 0.40 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2kks h ASP 126 CO 0.08 1.36 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 2kks n GLY 127 N 0.74 -0.78 3.38 2.75 0.00 -1.23 -5.14 105.19 104.91 2kks n GLY 127 Ca -0.07 -0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.30 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 -4.00 3.01 -0.17 1.61 0.11 -1.26 0.21 120.40 119.92 2kks s VAL 128 Ca 0.00 -0.68 -0.02 0.00 -2.93 0.00 0.00 61.98 58.34 2kks s VAL 128 Cb 0.00 -2.25 -0.01 0.00 -1.53 0.00 0.00 36.38 32.59 2kks s VAL 128 CO 0.00 0.54 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.61 2kks s ASP 129 N 0.20 4.27 -0.19 3.54 2.15 0.70 -4.92 116.67 122.40 2kks s ASP 129 Ca -0.08 -0.32 -0.20 0.00 0.43 0.00 0.00 52.55 52.38 2kks s ASP 129 Cb -0.15 -1.69 -0.03 0.00 -0.30 0.00 0.00 42.92 40.75 2kks s ASP 129 CO 0.05 0.09 0.58 -1.83 -0.17 0.00 0.00 175.17 173.89 2kks s GLU 130 N 0.80 4.22 0.22 4.34 -1.05 -1.26 0.34 118.70 126.31 2kks s GLU 130 Ca -0.03 0.54 -0.14 0.00 -0.15 0.00 0.00 54.97 55.19 2kks s GLU 130 Cb -0.15 -3.56 -0.08 0.00 -0.44 0.00 0.00 34.13 29.90 2kks s GLU 130 CO 0.01 -0.18 0.62 -2.00 0.95 0.00 0.00 175.26 174.67 2kks s GLU 131 N 1.71 3.97 0.26 -4.83 2.56 0.20 -4.99 118.70 117.58 2kks s GLU 131 Ca 0.27 0.52 -0.29 0.00 0.00 0.00 0.00 54.97 55.47 2kks s GLU 131 Cb -0.16 -2.72 -0.09 0.00 2.00 0.00 0.00 34.13 33.16 2kks s GLU 131 CO 0.10 0.34 0.98 -2.00 -0.56 0.00 0.00 175.26 174.12 2kks s GLU 132 N -2.47 4.77 -0.30 4.30 2.56 -1.26 -3.77 118.70 122.52 2kks s GLU 132 Ca 0.45 1.55 -0.16 0.00 0.00 0.00 0.00 54.97 56.82 2kks s GLU 132 Cb -0.13 -3.20 -0.02 0.00 2.00 0.00 0.00 34.13 32.78 2kks s GLU 132 CO 0.20 0.41 0.42 0.42 -0.56 0.00 0.00 175.26 176.14 2kks s ILE 133 N -1.22 5.13 -0.28 -3.70 -1.09 -1.26 -1.24 121.20 117.53 2kks s ILE 133 Ca 0.43 0.45 -0.08 0.00 -2.23 0.00 0.00 60.65 59.23 2kks s ILE 133 Cb -0.27 -3.79 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 2kks s ILE 133 CO 0.33 0.02 0.09 -0.63 -1.23 0.00 0.00 174.94 173.52 2kks s ILE 134 N 2.16 4.19 -0.43 2.92 -1.09 0.48 -4.97 121.20 124.45 2kks s ILE 134 Ca 0.16 -0.49 -0.22 0.00 -2.23 0.00 0.00 60.65 57.87 2kks s ILE 134 Cb -0.16 -3.10 0.02 0.00 -1.58 0.00 0.00 42.46 37.65 2kks s ILE 134 CO 0.11 0.15 0.72 -0.76 -1.23 0.00 0.00 174.94 173.93 2kks s LEU 135 N 1.56 4.35 0.43 2.97 1.43 -1.26 -1.66 118.68 126.50 2kks s LEU 135 Ca 0.04 -0.16 -0.23 0.00 -1.03 0.00 0.00 54.13 52.75 2kks s LEU 135 Cb -0.16 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.11 2kks s LEU 135 CO 0.03 -0.83 1.03 -0.75 0.23 0.00 0.00 176.35 176.07 2kks s LYS 136 N 3.05 4.07 0.48 1.70 2.20 0.17 -4.86 119.74 126.54 2kks s LYS 136 Ca 0.27 1.42 0.19 0.00 -0.36 0.00 0.00 55.97 57.48 2kks s LYS 136 Cb -0.13 -2.38 1.18 0.00 -1.51 0.00 0.00 37.83 34.99 2kks s LYS 136 CO 0.20 -0.21 2.03 0.93 -0.36 0.00 0.00 175.35 177.95 2kks h GLU 137 N 2.17 0.00 0.00 4.03 4.39 -1.96 -1.46 114.58 121.75 2kks h GLU 137 Ca -0.49 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.21 2kks h GLU 137 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2kks h GLU 137 CO 0.61 0.15 0.00 -1.91 -1.16 0.00 0.00 179.01 176.70 2kks n GLU 138 N -4.12 -0.65 -0.59 2.33 2.13 -1.26 -4.53 120.64 113.95 2kks n GLU 138 Ca -0.02 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.51 2kks n GLU 138 Cb 0.23 0.00 0.25 0.00 0.27 0.00 0.00 31.44 32.19 2kks n GLU 138 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2kks s LEU 139 N 0.00 0.70 0.23 4.31 1.43 -1.26 -4.78 118.68 119.30 2kks s LEU 139 Ca 0.00 1.41 -0.30 0.00 -1.03 0.00 0.00 54.13 54.21 2kks s LEU 139 Cb 0.00 -3.29 -0.09 0.00 0.03 0.00 0.00 46.19 42.83 2kks s LEU 139 CO 0.00 -4.24 1.31 -1.61 0.23 0.00 0.00 176.35 172.04 2kks s GLU 140 N -4.53 4.39 -0.37 1.70 0.41 -1.26 -4.90 118.70 114.15 2kks s GLU 140 Ca 0.68 2.08 -0.05 0.00 -0.41 0.00 0.00 54.97 57.28 2kks s GLU 140 Cb -0.24 -3.17 -0.04 0.00 -1.78 0.00 0.00 34.13 28.90 2kks s GLU 140 CO 0.64 -0.23 3.02 1.58 -0.49 0.00 0.00 175.26 179.78 2kks n HIS 141 N 2.24 1.17 -1.74 1.61 -0.00 -1.26 -4.96 115.22 112.28 2kks n HIS 141 Ca 0.05 -1.86 -0.42 0.00 -0.00 0.00 0.00 57.72 55.49 2kks n HIS 141 Cb 0.43 -1.48 -0.03 0.00 -0.00 0.00 0.00 29.99 28.91 2kks n HIS 141 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2kks s HIS 142 N -0.83 2.85 0.33 1.57 -3.43 -1.26 -4.89 115.29 109.63 2kks s HIS 142 Ca 0.61 0.48 0.01 0.00 -0.80 0.00 0.00 55.06 55.36 2kks s HIS 142 Cb 0.35 -4.12 0.57 0.00 -1.43 0.00 0.00 32.58 27.95 2kks s HIS 142 CO -0.15 -4.10 1.97 1.25 -2.00 0.00 0.00 174.74 171.71 2kks h HIS 143 N 6.19 0.92 -2.23 0.38 2.76 -2.06 -3.38 115.15 117.73 2kks h HIS 143 Ca -0.44 0.02 -0.56 0.00 -2.20 0.00 0.00 60.37 57.19 2kks h HIS 143 Cb 1.21 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.85 2kks h HIS 143 CO 0.62 0.54 1.41 -1.01 -1.30 0.00 0.00 177.93 178.20 2kks s HIS 144 N -5.82 1.45 -0.14 5.26 3.76 -1.26 -4.96 115.29 113.58 2kks s HIS 144 Ca -0.11 0.70 -0.05 0.00 -0.15 0.00 0.00 55.06 55.46 2kks s HIS 144 Cb 0.18 -3.98 -0.04 0.00 1.11 0.00 0.00 32.58 29.86 2kks s HIS 144 CO 0.78 -3.33 0.03 -1.58 -0.85 0.00 0.00 174.74 169.79 2kks s HIS 145 N 8.21 3.21 0.00 1.40 2.46 -1.26 -5.14 115.29 124.16 2kks s HIS 145 Ca 0.89 0.08 0.00 0.00 0.47 0.00 0.00 55.06 56.51 2kks s HIS 145 Cb -0.26 -1.94 0.00 0.00 -0.13 0.00 0.00 32.58 30.25 2kks s HIS 145 CO 0.33 0.28 0.00 1.58 -2.47 0.00 0.00 174.74 174.45