#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs s THR 2 N 0.00 3.85 -0.20 0.00 2.01 -1.26 -4.98 115.64 115.06 2khs s THR 2 Ca 0.00 -0.02 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2khs s THR 2 Cb 0.00 -4.94 -0.04 0.00 0.01 0.00 0.00 72.50 67.53 2khs s THR 2 CO 0.00 -1.84 0.35 -0.44 -0.69 0.00 0.00 174.62 172.00 2khs s SER 3 N 4.07 6.39 0.09 3.53 0.01 -1.26 -5.07 113.70 121.47 2khs s SER 3 Ca 0.37 0.45 0.04 0.00 1.31 0.00 0.00 55.95 58.13 2khs s SER 3 Cb -0.06 -2.21 -0.03 0.00 0.21 0.00 0.00 66.02 63.93 2khs s SER 3 CO 0.07 -0.03 -0.11 0.42 0.41 0.00 0.00 173.24 174.00 2khs s THR 4 N 1.15 1.00 -0.07 1.44 -4.23 -1.26 -4.85 115.64 108.82 2khs s THR 4 Ca 0.17 -1.55 -0.07 0.00 -1.18 0.00 0.00 61.69 59.05 2khs s THR 4 Cb -0.14 -1.28 -0.28 0.00 1.34 0.00 0.00 72.50 72.13 2khs s THR 4 CO 0.07 -0.47 0.58 0.11 -0.54 0.00 0.00 174.62 174.37 2khs h LYS 5 N 3.75 0.32 0.00 3.99 6.56 -2.01 -3.47 116.57 125.71 2khs h LYS 5 Ca -0.38 -0.54 0.00 0.00 -1.06 0.00 0.00 60.65 58.67 2khs h LYS 5 Cb 1.19 0.20 0.00 0.00 -0.57 0.00 0.00 32.23 33.05 2khs h LYS 5 CO 0.49 1.22 0.00 1.17 -2.06 0.00 0.00 179.45 180.28 2khs n LYS 6 N -3.51 0.00 -1.77 3.15 4.81 -1.26 -5.11 118.16 114.47 2khs n LYS 6 Ca -0.26 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 56.88 2khs n LYS 6 Cb 1.06 0.00 0.09 0.00 0.02 0.00 0.00 35.03 36.20 2khs n LYS 6 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2khs s LEU 7 N 0.00 2.52 -0.30 3.14 1.43 -1.26 -5.05 118.68 119.15 2khs s LEU 7 Ca 0.00 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.10 2khs s LEU 7 Cb 0.00 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.77 2khs s LEU 7 CO 0.00 -1.91 0.03 -2.28 0.23 0.00 0.00 176.35 172.42 2khs s HIS 8 N -3.40 2.75 0.63 0.29 5.65 -1.26 -4.76 115.29 115.19 2khs s HIS 8 Ca 0.61 -2.25 -0.15 0.00 0.25 0.00 0.00 55.06 53.52 2khs s HIS 8 Cb -0.12 -2.15 -0.01 0.00 -1.18 0.00 0.00 32.58 29.11 2khs s HIS 8 CO 0.51 -0.88 1.09 -1.59 -0.65 0.00 0.00 174.74 173.23 2khs s LYS 9 N 1.26 2.99 0.03 2.88 -2.85 -1.26 -4.76 119.74 118.03 2khs s LYS 9 Ca 0.05 1.32 0.00 0.00 -1.00 0.00 0.00 55.97 56.35 2khs s LYS 9 Cb -0.18 -1.98 -0.03 0.00 -2.06 0.00 0.00 37.83 33.58 2khs s LYS 9 CO -0.13 -1.09 -0.04 -1.83 0.10 0.00 0.00 175.35 172.37 2khs s GLU 10 N -4.09 0.42 0.27 1.78 -1.05 -0.31 -4.94 118.70 110.77 2khs s GLU 10 Ca 0.66 -0.78 -0.29 0.00 -0.15 0.00 0.00 54.97 54.40 2khs s GLU 10 Cb -0.19 0.08 -0.09 0.00 -0.44 0.00 0.00 34.13 33.48 2khs s GLU 10 CO 0.40 -0.05 1.02 -2.14 0.95 0.00 0.00 175.26 175.44 2khs s PRO 11 N -2.09 4.72 0.37 -4.83 0.02 -1.26 -0.35 135.00 131.57 2khs s PRO 11 Ca -0.09 1.64 0.09 0.00 0.02 0.00 0.00 61.00 62.65 2khs s PRO 11 Cb -0.06 -3.19 -0.07 0.00 0.02 0.00 0.00 34.50 31.20 2khs s PRO 11 CO -0.03 0.34 -0.05 0.00 -0.33 0.00 0.00 177.00 176.93 2khs s ALA 12 N -1.20 3.06 -0.14 -1.55 0.00 0.40 -4.70 121.76 117.63 2khs s ALA 12 Ca 0.44 -2.16 -0.05 0.00 0.00 0.00 0.00 51.96 50.19 2khs s ALA 12 Cb -0.29 -0.00 -0.04 0.00 0.00 0.00 0.00 23.12 22.79 2khs s ALA 12 CO 0.36 0.01 0.04 0.99 0.00 0.00 0.00 175.76 177.15 2khs s THR 13 N -2.64 4.60 0.15 0.00 2.01 0.18 -4.23 115.64 115.72 2khs s THR 13 Ca 0.34 -0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2khs s THR 13 Cb 0.05 -3.01 -0.07 0.00 0.01 0.00 0.00 72.50 69.47 2khs s THR 13 CO 0.17 0.53 1.20 -0.22 -0.69 0.00 0.00 174.62 175.62 2khs s LEU 14 N -0.21 4.43 -0.10 4.42 2.96 -1.26 -0.29 118.68 128.62 2khs s LEU 14 Ca 0.07 2.18 -0.12 0.00 -0.22 0.00 0.00 54.13 56.04 2khs s LEU 14 Cb -0.12 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 42.92 2khs s LEU 14 CO 0.02 -0.40 -0.25 -0.38 -1.32 0.00 0.00 176.35 174.02 2khs n ILE 15 N 2.92 1.39 -3.64 6.68 5.41 -0.50 -4.86 119.36 126.75 2khs n ILE 15 Ca 0.06 0.18 -0.04 0.00 1.00 0.00 0.00 62.75 63.95 2khs n ILE 15 Cb 0.45 -2.09 -0.07 0.00 -0.71 0.00 0.00 39.64 37.22 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2khs s LYS 16 N -2.61 0.34 -0.49 0.38 -2.85 -0.95 -5.00 119.74 108.56 2khs s LYS 16 Ca -0.21 0.51 -0.18 0.00 -1.00 0.00 0.00 55.97 55.09 2khs s LYS 16 Cb 0.03 0.11 0.05 0.00 -2.06 0.00 0.00 37.83 35.97 2khs s LYS 16 CO 0.30 -0.06 0.56 0.00 0.10 0.00 0.00 175.35 176.25 2khs s ALA 17 N 0.84 3.42 -0.04 0.59 0.00 -1.26 0.21 121.76 125.52 2khs s ALA 17 Ca -0.04 -1.75 -0.26 0.00 0.00 0.00 0.00 51.96 49.91 2khs s ALA 17 Cb -0.04 -3.26 -0.21 0.00 0.00 0.00 0.00 23.12 19.61 2khs s ALA 17 CO -0.12 -1.89 1.19 0.82 0.00 0.00 0.00 175.76 175.76 2khs h ILE 18 N 5.83 1.43 -1.24 0.00 1.08 -1.68 -3.43 117.51 119.49 2khs h ILE 18 Ca -0.27 -1.32 0.00 0.00 -0.39 0.00 0.00 64.86 62.88 2khs h ILE 18 Cb 1.10 2.32 0.00 0.00 -3.07 0.00 0.00 36.82 37.17 2khs h ILE 18 CO 0.92 0.34 0.00 -0.67 -0.69 0.00 0.00 178.15 178.05 2khs n ASP 19 N -4.82 0.01 -0.14 1.72 -0.08 -0.61 -4.83 116.55 107.80 2khs n ASP 19 Ca -0.09 -0.23 0.12 0.00 -1.51 0.00 0.00 54.79 53.08 2khs n ASP 19 Cb 0.28 0.00 0.25 0.00 2.34 0.00 0.00 41.12 43.99 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2khs n GLY 20 N 0.03 -0.87 0.09 0.27 0.00 -1.24 -4.22 105.19 99.24 2khs n GLY 20 Ca 0.00 -0.42 -0.13 0.00 0.00 0.00 0.00 46.02 45.47 2khs n GLY 20 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2khs n ASP 21 N -1.05 1.89 -4.44 1.61 2.03 -1.26 -4.78 116.55 110.55 2khs n ASP 21 Ca 0.08 0.45 -0.33 0.00 0.52 0.00 0.00 54.79 55.51 2khs n ASP 21 Cb 0.35 -0.83 -0.13 0.00 -0.72 0.00 0.00 41.12 39.79 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2khs s THR 22 N -2.54 3.49 -0.01 5.18 2.01 -1.26 -1.69 115.64 120.82 2khs s THR 22 Ca -0.26 -0.50 0.01 0.00 0.31 0.00 0.00 61.69 61.25 2khs s THR 22 Cb 0.05 -2.50 0.00 0.00 0.01 0.00 0.00 72.50 70.07 2khs s THR 22 CO 0.39 0.51 -0.02 0.54 -0.69 0.00 0.00 174.62 175.35 2khs s VAL 23 N 0.33 0.20 -0.26 3.82 0.11 0.77 -1.57 120.40 123.81 2khs s VAL 23 Ca -0.07 -0.08 -0.11 0.00 -2.93 0.00 0.00 61.98 58.79 2khs s VAL 23 Cb -0.15 -0.20 -0.05 0.00 -1.53 0.00 0.00 36.38 34.45 2khs s VAL 23 CO 0.04 0.07 0.17 -0.75 -3.33 0.00 0.00 175.10 171.31 2khs s LYS 24 N 0.11 4.00 0.21 1.54 2.20 0.13 0.15 119.74 128.09 2khs s LYS 24 Ca -0.01 -0.30 0.08 0.00 -0.36 0.00 0.00 55.97 55.39 2khs s LYS 24 Cb -0.03 -3.59 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 2khs s LYS 24 CO -0.00 -0.06 -0.15 -0.51 -0.36 0.00 0.00 175.35 174.26 2khs s LEU 25 N 1.41 2.55 -0.19 5.43 1.02 -0.45 -1.42 118.68 127.03 2khs s LEU 25 Ca 0.07 -1.00 -0.00 0.00 0.02 0.00 0.00 54.13 53.22 2khs s LEU 25 Cb -0.15 -0.74 0.01 0.00 0.02 0.00 0.00 46.19 45.34 2khs s LEU 25 CO 0.08 -0.13 -0.16 -0.32 0.02 0.00 0.00 176.35 175.83 2khs s MET 26 N -3.52 3.09 -0.22 1.70 1.75 0.61 -0.85 119.30 121.85 2khs s MET 26 Ca 0.22 -0.78 0.02 0.00 -1.25 0.00 0.00 55.69 53.90 2khs s MET 26 Cb -0.02 -2.68 0.04 0.00 2.84 0.00 0.00 34.83 35.02 2khs s MET 26 CO 0.08 -0.21 -0.14 1.52 -0.65 0.00 0.00 175.02 175.62 2khs s TYR 27 N 1.33 3.01 -1.82 4.11 1.13 0.33 0.51 117.35 125.95 2khs s TYR 27 Ca 0.05 -2.01 0.00 0.00 -1.41 0.00 0.00 57.07 53.70 2khs s TYR 27 Cb -0.13 -1.90 0.00 0.00 -1.10 0.00 0.00 41.96 38.83 2khs s TYR 27 CO -0.11 -0.84 0.00 1.63 -2.51 0.00 0.00 175.55 173.72 2khs n LYS 28 N 4.52 -1.55 -0.29 -3.49 5.02 -1.26 -1.09 118.16 120.02 2khs n LYS 28 Ca -0.17 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.15 2khs n LYS 28 Cb 0.45 -5.58 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 2khs n LYS 28 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 29 N -0.89 0.70 3.46 0.72 0.00 -1.26 -5.04 105.19 102.88 2khs n GLY 29 Ca -0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 2khs n GLY 29 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2khs s GLN 30 N -0.71 3.04 -0.52 1.61 -0.21 -0.25 -5.03 119.66 117.59 2khs s GLN 30 Ca 0.00 -0.91 -0.23 0.00 0.02 0.00 0.00 55.36 54.24 2khs s GLN 30 Cb 0.00 -4.00 0.04 0.00 1.00 0.00 0.00 33.01 30.06 2khs s GLN 30 CO 0.00 -0.86 0.83 -1.25 -2.12 0.00 0.00 175.29 171.89 2khs s PRO 31 N 1.97 3.28 0.06 2.91 0.05 -1.26 -0.52 135.00 141.50 2khs s PRO 31 Ca 0.09 -0.41 0.10 0.00 0.05 0.00 0.00 61.00 60.83 2khs s PRO 31 Cb -0.19 -4.05 -0.03 0.00 0.05 0.00 0.00 34.50 30.29 2khs s PRO 31 CO 0.12 -1.35 -0.26 -1.64 0.05 0.00 0.00 177.00 173.91 2khs s MET 32 N 3.48 1.74 -0.58 4.56 -1.94 -0.03 -4.97 119.30 121.55 2khs s MET 32 Ca 0.26 -1.15 -0.25 0.00 -1.71 0.00 0.00 55.69 52.84 2khs s MET 32 Cb -0.14 -1.97 0.04 0.00 2.01 0.00 0.00 34.83 34.77 2khs s MET 32 CO 0.18 0.50 1.00 0.99 -0.01 0.00 0.00 175.02 177.68 2khs s THR 33 N -0.86 4.29 0.02 2.05 2.01 -1.26 -1.34 115.64 120.55 2khs s THR 33 Ca 0.12 0.26 -0.10 0.00 0.31 0.00 0.00 61.69 62.27 2khs s THR 33 Cb -0.10 -4.61 -0.05 0.00 0.01 0.00 0.00 72.50 67.75 2khs s THR 33 CO 0.03 -1.25 0.35 -0.36 -0.69 0.00 0.00 174.62 172.70 2khs s PHE 34 N 4.20 3.63 -0.11 4.92 0.08 0.12 0.18 117.98 131.01 2khs s PHE 34 Ca 0.31 0.78 0.00 0.00 0.12 0.00 0.00 56.93 58.14 2khs s PHE 34 Cb -0.12 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.16 2khs s PHE 34 CO 0.18 0.60 -0.12 0.50 -0.10 0.00 0.00 175.22 176.29 2khs s ARG 35 N -1.51 3.19 0.15 0.44 3.00 0.94 -0.16 118.95 124.99 2khs s ARG 35 Ca 0.27 -0.65 -0.31 0.00 -1.00 0.00 0.00 55.73 54.03 2khs s ARG 35 Cb -0.14 -2.61 -0.09 0.00 0.00 0.00 0.00 34.95 32.10 2khs s ARG 35 CO 0.15 0.34 1.48 -0.51 0.00 0.00 0.00 175.30 176.75 2khs s LEU 36 N 0.03 4.37 0.14 -0.88 1.02 -0.68 -3.04 118.68 119.64 2khs s LEU 36 Ca -0.04 2.49 -0.31 0.00 0.02 0.00 0.00 54.13 56.29 2khs s LEU 36 Cb -0.14 -3.59 -0.10 0.00 0.02 0.00 0.00 46.19 42.37 2khs s LEU 36 CO 0.04 -0.74 1.71 -0.76 0.02 0.00 0.00 176.35 176.62 2khs s LEU 37 N 1.03 4.38 0.00 1.79 1.43 -0.13 -2.31 118.68 124.86 2khs s LEU 37 Ca 0.67 2.70 0.00 0.00 -1.03 0.00 0.00 54.13 56.47 2khs s LEU 37 Cb -0.40 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.24 2khs s LEU 37 CO 0.31 -0.93 0.00 0.18 0.23 0.00 0.00 176.35 176.14 2khs n LEU 38 N 4.89 0.24 -4.22 1.79 4.77 -1.25 -4.86 117.00 118.35 2khs n LEU 38 Ca 0.16 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.81 2khs n LEU 38 Cb 0.38 -0.87 -0.16 0.00 -2.33 0.00 0.00 43.42 40.44 2khs n LEU 38 CO 0.64 -0.22 -0.51 -0.69 -1.33 0.00 0.00 177.39 175.27 2khs s VAL 39 N -2.03 2.37 -0.06 4.08 1.01 -0.98 -1.18 120.40 123.61 2khs s VAL 39 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 61.98 61.10 2khs s VAL 39 Cb 0.00 -1.97 0.03 0.00 0.00 0.00 0.00 36.38 34.43 2khs s VAL 39 CO 0.00 0.53 -0.01 -0.62 0.00 0.00 0.00 175.10 175.00 2khs s ASP 40 N 0.76 1.28 -0.16 3.32 2.15 0.05 -4.56 116.67 119.51 2khs s ASP 40 Ca -0.07 -0.09 -0.03 0.00 0.43 0.00 0.00 52.55 52.79 2khs s ASP 40 Cb -0.16 -0.41 -0.09 0.00 -0.30 0.00 0.00 42.92 41.96 2khs s ASP 40 CO 0.00 -0.15 -0.17 0.35 -0.17 0.00 0.00 175.17 175.03 2khs n THR 41 N 4.75 0.89 -2.83 1.71 -2.24 -1.26 -0.11 114.28 115.19 2khs n THR 41 Ca -0.14 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 60.92 2khs n THR 41 Cb 0.50 -1.33 -0.03 0.00 -2.10 0.00 0.00 70.33 67.38 2khs n THR 41 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2khs s PRO 42 N -2.30 3.61 0.70 -0.78 0.05 -1.26 -4.69 135.00 130.32 2khs s PRO 42 Ca -0.22 -1.62 -0.05 0.00 0.05 0.00 0.00 61.00 59.17 2khs s PRO 42 Cb 0.07 -5.03 0.08 0.00 0.05 0.00 0.00 34.50 29.66 2khs s PRO 42 CO 0.33 -1.88 0.99 -1.83 0.05 0.00 0.00 177.00 174.65 2khs s GLU 43 N 3.24 2.07 -0.47 4.56 4.04 -1.26 -5.00 118.70 125.88 2khs s GLU 43 Ca 0.36 -0.50 0.07 0.00 0.04 0.00 0.00 54.97 54.94 2khs s GLU 43 Cb -0.03 -2.23 0.18 0.00 0.02 0.00 0.00 34.13 32.07 2khs s GLU 43 CO -0.09 -1.26 0.64 -0.08 -1.84 0.00 0.00 175.26 172.62 2khs s THR 44 N -3.19 -0.80 0.15 1.83 -1.32 -1.26 -3.47 115.64 107.58 2khs s THR 44 Ca 0.62 -0.94 0.13 0.00 -1.21 0.00 0.00 61.69 60.29 2khs s THR 44 Cb -0.09 -0.19 0.01 0.00 -1.51 0.00 0.00 72.50 70.72 2khs s THR 44 CO 0.44 -0.18 1.57 0.11 -2.21 0.00 0.00 174.62 174.35 2khs h LYS 45 N 5.71 0.00 0.00 7.08 1.57 -1.97 -3.46 116.57 125.49 2khs h LYS 45 Ca 0.08 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2khs h LYS 45 Cb 1.10 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.41 2khs h LYS 45 CO 0.09 0.58 0.00 1.58 -0.57 0.00 0.00 179.45 181.13 2khs n HIS 46 N -3.55 -2.03 -1.72 -1.35 -0.00 -1.26 -5.14 115.22 100.17 2khs n HIS 46 Ca -0.00 0.27 -0.37 0.00 -0.00 0.00 0.00 57.72 57.62 2khs n HIS 46 Cb 0.65 0.93 0.06 0.00 -0.00 0.00 0.00 29.99 31.63 2khs n HIS 46 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 2khs n PRO 47 N -2.57 1.20 0.09 1.57 -0.04 -1.26 -4.92 135.00 129.06 2khs n PRO 47 Ca 0.00 0.46 -0.01 0.00 -0.04 0.00 0.00 63.50 63.92 2khs n PRO 47 Cb 0.00 -2.51 -0.04 0.00 -0.04 0.00 0.00 33.50 30.90 2khs n PRO 47 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2khs h LYS 48 N 0.68 0.00 0.00 0.54 3.64 -1.98 -3.18 116.57 116.27 2khs h LYS 48 Ca -0.51 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.87 2khs h LYS 48 Cb 1.34 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 2khs h LYS 48 CO 0.54 0.55 -0.37 1.63 -2.27 0.00 0.00 179.45 179.52 2khs n LYS 49 N -3.15 0.03 0.00 1.90 4.76 -1.26 -4.97 118.16 115.47 2khs n LYS 49 Ca -0.03 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.43 2khs n LYS 49 Cb 0.82 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 2khs n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 50 N 1.48 1.52 3.19 0.72 0.00 -1.20 -4.13 105.19 106.77 2khs n GLY 50 Ca 0.06 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 2khs n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2khs s VAL 51 N 0.00 4.27 0.10 1.61 1.01 -1.26 -4.78 120.40 121.35 2khs s VAL 51 Ca 0.00 -2.27 -0.27 0.00 0.00 0.00 0.00 61.98 59.44 2khs s VAL 51 Cb 0.00 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.51 2khs s VAL 51 CO 0.00 -0.85 1.45 -0.33 0.00 0.00 0.00 175.10 175.37 2khs h GLU 52 N 7.90 -0.37 0.00 2.72 5.08 -2.01 -0.20 114.58 127.70 2khs h GLU 52 Ca -0.09 0.03 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2khs h GLU 52 Cb 1.03 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2khs h GLU 52 CO 0.79 -0.25 -0.93 0.87 -1.00 0.00 0.00 179.01 178.49 2khs h LYS 53 N -0.38 0.00 0.00 2.33 1.57 -1.94 -3.34 116.57 114.80 2khs h LYS 53 Ca 0.05 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2khs h LYS 53 Cb 0.51 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.80 2khs h LYS 53 CO -0.43 0.39 -1.17 1.88 -0.57 0.00 0.00 179.45 179.55 2khs h TYR 54 N 0.00 0.00 -0.16 -1.35 0.05 -1.97 -3.36 116.97 110.19 2khs h TYR 54 Ca -0.07 0.00 0.04 0.00 0.05 0.00 0.00 58.73 58.75 2khs h TYR 54 Cb 1.46 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.15 2khs h TYR 54 CO 0.00 0.38 -0.12 0.78 -1.05 0.00 0.00 178.16 178.15 2khs h GLY 55 N 3.79 -0.00 1.47 3.88 0.00 -1.15 -1.50 103.07 109.55 2khs h GLY 55 Ca -0.10 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.42 2khs h GLY 55 CO 0.03 -0.13 0.23 -2.55 0.00 0.00 0.00 176.54 174.12 2khs h PRO 56 N -0.13 0.00 0.11 4.80 0.11 -1.76 -1.59 132.00 133.54 2khs h PRO 56 Ca 0.10 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 65.89 2khs h PRO 56 Cb 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.37 2khs h PRO 56 CO -0.24 0.00 -1.66 1.49 -0.21 0.00 0.00 178.00 177.38 2khs h GLU 57 N 0.00 0.23 -0.69 1.05 4.57 -1.53 -2.87 114.58 115.34 2khs h GLU 57 Ca 0.06 -0.39 0.02 0.00 -1.18 0.00 0.00 59.36 57.86 2khs h GLU 57 Cb 0.52 0.15 -0.04 0.00 -0.16 0.00 0.00 28.75 29.22 2khs h GLU 57 CO -0.00 1.07 0.44 0.00 -1.18 0.00 0.00 179.01 179.34 2khs h ALA 58 N 0.45 0.88 -0.48 2.92 0.00 -0.35 0.51 119.26 123.19 2khs h ALA 58 Ca -0.29 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.46 2khs h ALA 58 Cb 2.03 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 19.55 2khs h ALA 58 CO 0.14 0.25 -0.19 0.66 0.00 0.00 0.00 179.25 180.11 2khs h SER 59 N 0.89 1.00 -0.13 0.00 4.64 -1.53 -2.67 113.55 115.75 2khs h SER 59 Ca 0.26 -0.39 -0.06 0.00 -0.47 0.00 0.00 61.79 61.14 2khs h SER 59 Cb -0.05 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.77 2khs h SER 59 CO -0.08 1.16 -0.14 0.00 -0.87 0.00 0.00 176.83 176.90 2khs h ALA 60 N 0.87 0.19 -0.62 5.18 0.00 -1.13 -2.22 119.26 121.53 2khs h ALA 60 Ca 0.11 -0.32 0.06 0.00 0.00 0.00 0.00 54.91 54.76 2khs h ALA 60 Cb 0.77 -0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 2khs h ALA 60 CO 0.06 0.06 0.31 0.35 0.00 0.00 0.00 179.25 180.04 2khs h PHE 61 N -0.08 0.57 -0.42 0.00 3.04 -0.04 0.14 116.94 120.14 2khs h PHE 61 Ca 0.02 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2khs h PHE 61 Cb 0.68 -0.17 -0.02 0.00 2.56 0.00 0.00 35.95 39.00 2khs h PHE 61 CO 0.09 0.25 0.21 1.15 -2.02 0.00 0.00 178.31 177.99 2khs h THR 62 N 0.58 1.17 0.32 4.41 2.02 -1.45 0.11 112.91 120.07 2khs h THR 62 Ca 0.28 -0.47 -0.01 0.00 0.77 0.00 0.00 66.41 66.99 2khs h THR 62 Cb 0.22 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 2khs h THR 62 CO -0.20 0.18 -0.24 0.11 0.37 0.00 0.00 175.52 175.74 2khs h LYS 63 N 0.54 -0.54 -0.39 6.66 1.57 -0.65 -0.22 116.57 123.54 2khs h LYS 63 Ca 0.15 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 2khs h LYS 63 Cb 0.10 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2khs h LYS 63 CO -0.02 -0.36 0.25 0.87 -0.57 0.00 0.00 179.45 179.62 2khs h LYS 64 N -0.56 0.51 0.06 3.15 1.57 -0.57 0.17 116.57 120.89 2khs h LYS 64 Ca -0.02 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2khs h LYS 64 Cb 0.49 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2khs h LYS 64 CO -0.00 0.34 -0.03 1.98 -0.57 0.00 0.00 179.45 181.17 2khs h MET 65 N 0.53 -0.07 0.00 3.15 4.05 -0.49 -2.57 114.93 119.52 2khs h MET 65 Ca 0.14 0.01 -0.08 0.00 -0.28 0.00 0.00 59.70 59.49 2khs h MET 65 Cb -0.05 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.75 2khs h MET 65 CO -0.03 0.47 -0.36 -0.39 0.23 0.00 0.00 176.91 176.83 2khs h VAL 66 N -0.68 0.88 -0.13 -5.77 -1.51 -0.48 -0.23 116.25 108.33 2khs h VAL 66 Ca -0.01 -1.45 -0.16 0.00 -1.23 0.00 0.00 66.70 63.85 2khs h VAL 66 Cb 0.58 1.88 -0.01 0.00 -2.13 0.00 0.00 31.29 31.61 2khs h VAL 66 CO 0.01 0.35 -0.61 -0.33 -1.23 0.00 0.00 177.57 175.77 2khs h GLU 67 N 0.00 0.45 -0.12 5.19 4.39 -0.76 -3.27 114.58 120.46 2khs h GLU 67 Ca -0.00 -0.31 -0.19 0.00 0.34 0.00 0.00 59.36 59.20 2khs h GLU 67 Cb 0.85 0.04 0.01 0.00 -0.10 0.00 0.00 28.75 29.56 2khs h GLU 67 CO 0.05 0.92 -0.67 -0.97 -1.16 0.00 0.00 179.01 177.17 2khs h ASN 68 N 0.33 0.81 -4.02 1.42 -1.24 -0.94 -3.45 115.58 108.49 2khs h ASN 68 Ca -0.01 -0.64 -0.52 0.00 0.71 0.00 0.00 56.30 55.84 2khs h ASN 68 Cb 1.15 -0.24 0.09 0.00 0.73 0.00 0.00 38.32 40.04 2khs h ASN 68 CO 0.11 1.32 0.52 0.00 -1.29 0.00 0.00 177.43 178.08 2khs s ALA 69 N -3.69 2.91 -0.08 1.57 0.00 -0.17 -4.98 121.76 117.32 2khs s ALA 69 Ca -0.11 1.04 -0.04 0.00 0.00 0.00 0.00 51.96 52.85 2khs s ALA 69 Cb 0.07 -3.43 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 2khs s ALA 69 CO 0.87 -0.87 0.15 0.87 0.00 0.00 0.00 175.76 176.78 2khs h LYS 70 N 1.82 -0.13 -5.23 0.00 6.56 -1.88 -3.46 116.57 114.26 2khs h LYS 70 Ca -0.50 0.01 -0.63 0.00 -1.06 0.00 0.00 60.65 58.47 2khs h LYS 70 Cb 1.26 0.03 -0.20 0.00 -0.57 0.00 0.00 32.23 32.75 2khs h LYS 70 CO 0.59 -0.08 -0.63 0.15 -2.06 0.00 0.00 179.45 177.42 2khs s LYS 71 N -1.97 3.75 -0.24 3.15 1.02 -1.26 -4.99 119.74 119.20 2khs s LYS 71 Ca -0.02 -0.46 -0.10 0.00 0.02 0.00 0.00 55.97 55.41 2khs s LYS 71 Cb 0.00 -3.07 -0.05 0.00 -0.52 0.00 0.00 37.83 34.19 2khs s LYS 71 CO 0.06 0.17 0.15 0.42 -0.92 0.00 0.00 175.35 175.23 2khs s ILE 72 N 0.59 5.26 -0.11 2.17 1.01 -1.26 -0.03 121.20 128.83 2khs s ILE 72 Ca -0.00 0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.79 2khs s ILE 72 Cb -0.14 -3.46 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 2khs s ILE 72 CO 0.02 0.33 -0.10 -1.61 0.00 0.00 0.00 174.94 173.58 2khs s GLU 73 N 1.18 3.19 -0.14 2.79 2.02 0.13 -0.45 118.70 127.41 2khs s GLU 73 Ca 0.07 -0.63 -0.02 0.00 0.02 0.00 0.00 54.97 54.42 2khs s GLU 73 Cb -0.14 -2.64 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 2khs s GLU 73 CO 0.05 0.37 -0.09 0.14 0.02 0.00 0.00 175.26 175.75 2khs s VAL 74 N -0.03 3.40 0.01 2.63 -7.23 0.52 -0.72 120.40 118.98 2khs s VAL 74 Ca -0.02 -0.53 0.05 0.00 -1.81 0.00 0.00 61.98 59.67 2khs s VAL 74 Cb -0.14 -2.46 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2khs s VAL 74 CO 0.03 0.51 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.48 2khs s GLU 75 N 0.40 1.10 -0.27 4.82 2.56 -0.51 -1.16 118.70 125.65 2khs s GLU 75 Ca -0.07 -0.65 -0.05 0.00 0.00 0.00 0.00 54.97 54.20 2khs s GLU 75 Cb -0.15 -1.10 0.01 0.00 2.00 0.00 0.00 34.13 34.89 2khs s GLU 75 CO 0.04 0.29 0.03 0.12 -0.56 0.00 0.00 175.26 175.18 2khs s PHE 76 N -0.57 3.09 0.30 5.30 5.36 -1.26 -0.36 117.98 129.84 2khs s PHE 76 Ca 0.04 -1.03 0.05 0.00 -0.96 0.00 0.00 56.93 55.02 2khs s PHE 76 Cb -0.07 -2.19 0.05 0.00 -0.34 0.00 0.00 43.02 40.47 2khs s PHE 76 CO 0.00 -0.58 0.38 -3.47 -1.46 0.00 0.00 175.22 170.09 2khs n ASP 77 N 4.82 1.31 -3.50 6.13 -0.08 -1.26 -4.85 116.55 119.12 2khs n ASP 77 Ca -0.16 -1.86 -0.40 0.00 -1.51 0.00 0.00 54.79 50.86 2khs n ASP 77 Cb 0.49 -0.18 -0.02 0.00 2.34 0.00 0.00 41.12 43.75 2khs n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2khs n LYS 78 N -1.56 3.30 0.00 -0.67 2.85 -1.26 -4.47 118.16 116.35 2khs n LYS 78 Ca 0.06 -2.38 0.00 0.00 -1.05 0.00 0.00 58.31 54.95 2khs n LYS 78 Cb 0.32 -3.02 0.00 0.00 -0.65 0.00 0.00 35.03 31.68 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khs n GLY 79 N 3.82 1.87 2.98 2.58 0.00 -1.26 -5.04 105.19 110.14 2khs n GLY 79 Ca 0.66 -0.16 -0.12 0.00 0.00 0.00 0.00 46.02 46.40 2khs n GLY 79 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2khs s GLN 80 N 1.63 0.34 -0.00 1.61 -1.52 -1.26 -4.87 119.66 115.59 2khs s GLN 80 Ca 0.00 -0.45 0.21 0.00 -1.95 0.00 0.00 55.36 53.17 2khs s GLN 80 Cb 0.00 -0.15 -0.18 0.00 -0.22 0.00 0.00 33.01 32.46 2khs s GLN 80 CO 0.00 0.03 0.93 -2.13 -0.25 0.00 0.00 175.29 173.87 2khs n ARG 81 N 2.13 0.00 -4.25 2.91 0.63 -1.26 -4.54 116.66 112.28 2khs n ARG 81 Ca -0.19 -0.00 -0.18 0.00 -0.92 0.00 0.00 57.85 56.56 2khs n ARG 81 Cb 0.57 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.82 2khs n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2khs s THR 82 N -3.00 0.57 -0.18 5.15 -4.23 -1.26 0.20 115.64 112.89 2khs s THR 82 Ca 0.08 -0.26 -0.15 0.00 -1.18 0.00 0.00 61.69 60.18 2khs s THR 82 Cb 0.16 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.45 2khs s THR 82 CO 0.86 0.18 0.37 -0.62 -0.54 0.00 0.00 174.62 174.87 2khs s ASP 83 N 0.13 6.46 -1.18 3.99 2.15 -1.08 -4.71 116.67 122.42 2khs s ASP 83 Ca -0.01 0.54 -0.10 0.00 0.43 0.00 0.00 52.55 53.40 2khs s ASP 83 Cb -0.06 -2.22 -0.07 0.00 -0.30 0.00 0.00 42.92 40.27 2khs s ASP 83 CO -0.00 -0.01 2.37 1.17 -0.17 0.00 0.00 175.17 178.54 2khs n LYS 84 N 4.07 2.61 0.00 4.34 4.81 -1.26 -1.48 118.16 131.26 2khs n LYS 84 Ca -0.09 -1.87 0.00 0.00 -0.87 0.00 0.00 58.31 55.48 2khs n LYS 84 Cb 0.51 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.85 2khs n LYS 84 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2khs n TYR 85 N 4.62 0.00 -1.29 5.64 4.02 -1.26 -4.93 117.16 123.96 2khs n TYR 85 Ca 0.57 -0.08 0.00 0.00 -0.01 0.00 0.00 57.90 58.38 2khs n TYR 85 Cb 0.22 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 2khs n TYR 85 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2khs n GLY 86 N -0.08 0.85 3.89 2.72 0.00 -1.14 -5.07 105.19 106.36 2khs n GLY 86 Ca 0.00 -0.62 -0.26 0.00 0.00 0.00 0.00 46.02 45.13 2khs n GLY 86 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2khs s ARG 87 N -2.86 2.27 0.31 1.61 0.52 -0.55 -4.68 118.95 115.58 2khs s ARG 87 Ca 0.00 -2.00 0.10 0.00 -0.52 0.00 0.00 55.73 53.31 2khs s ARG 87 Cb 0.00 -2.08 -0.06 0.00 0.52 0.00 0.00 34.95 33.33 2khs s ARG 87 CO 0.00 -0.56 -0.12 0.20 0.02 0.00 0.00 175.30 174.84 2khs s GLY 88 N -4.23 2.01 -0.05 -3.53 0.00 0.13 -2.63 107.32 99.02 2khs s GLY 88 Ca 0.34 -1.96 0.01 0.00 0.00 0.00 0.00 44.72 43.11 2khs s GLY 88 CO 0.21 -1.97 -0.05 1.08 0.00 0.00 0.00 173.10 172.37 2khs s LEU 89 N -3.59 1.34 0.09 0.66 1.43 0.13 -0.04 118.68 118.70 2khs s LEU 89 Ca 0.32 -0.14 -0.17 0.00 -1.03 0.00 0.00 54.13 53.12 2khs s LEU 89 Cb -0.02 -0.46 0.03 0.00 0.03 0.00 0.00 46.19 45.77 2khs s LEU 89 CO 0.16 -0.05 0.40 0.00 0.23 0.00 0.00 176.35 177.09 2khs s ALA 90 N 0.92 -0.94 -0.40 4.21 0.00 -1.17 -4.34 121.76 120.04 2khs s ALA 90 Ca -0.11 0.09 -0.21 0.00 0.00 0.00 0.00 51.96 51.73 2khs s ALA 90 Cb -0.14 0.53 0.01 0.00 0.00 0.00 0.00 23.12 23.52 2khs s ALA 90 CO 0.00 -0.55 0.66 -0.47 0.00 0.00 0.00 175.76 175.39 2khs s TYR 91 N -3.22 3.10 -0.22 0.00 5.04 0.51 -0.96 117.35 121.60 2khs s TYR 91 Ca -0.01 0.17 -0.11 0.00 -2.44 0.00 0.00 57.07 54.68 2khs s TYR 91 Cb 0.01 -3.28 -0.05 0.00 0.35 0.00 0.00 41.96 38.99 2khs s TYR 91 CO -0.08 -0.76 0.20 0.42 -1.34 0.00 0.00 175.55 173.99 2khs s ILE 92 N 2.82 5.34 0.15 3.14 -1.09 -1.26 -1.42 121.20 128.87 2khs s ILE 92 Ca 0.24 0.29 0.08 0.00 -2.23 0.00 0.00 60.65 59.03 2khs s ILE 92 Cb -0.14 -3.54 -0.04 0.00 -1.58 0.00 0.00 42.46 37.16 2khs s ILE 92 CO 0.17 0.35 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.85 2khs s TYR 93 N 0.90 2.72 -0.31 3.97 1.51 0.10 -2.48 117.35 123.76 2khs s TYR 93 Ca 0.10 -0.18 -0.00 0.00 -1.01 0.00 0.00 57.07 55.98 2khs s TYR 93 Cb -0.13 -1.36 0.10 0.00 -0.11 0.00 0.00 41.96 40.45 2khs s TYR 93 CO 0.04 0.48 0.09 0.00 -1.11 0.00 0.00 175.55 175.05 2khs s ALA 94 N -1.52 1.72 -1.23 3.71 0.00 0.20 -0.69 121.76 123.95 2khs s ALA 94 Ca 0.24 -1.79 -0.22 0.00 0.00 0.00 0.00 51.96 50.19 2khs s ALA 94 Cb -0.10 -1.67 0.01 0.00 0.00 0.00 0.00 23.12 21.37 2khs s ALA 94 CO 0.15 -1.67 0.66 -3.47 0.00 0.00 0.00 175.76 171.43 2khs n ASP 95 N 4.77 -3.84 0.00 0.00 2.03 0.95 -1.73 116.55 118.73 2khs n ASP 95 Ca -0.01 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.16 2khs n ASP 95 Cb 0.42 -2.60 0.00 0.00 -0.72 0.00 0.00 41.12 38.22 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khs n GLY 96 N -1.93 3.09 3.91 0.27 0.00 -1.26 -5.00 105.19 104.27 2khs n GLY 96 Ca -0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.57 2khs n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs s LYS 97 N -0.34 3.41 -0.27 1.61 1.02 -0.70 -5.06 119.74 119.40 2khs s LYS 97 Ca 0.00 -0.46 -0.14 0.00 0.02 0.00 0.00 55.97 55.39 2khs s LYS 97 Cb 0.00 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.25 2khs s LYS 97 CO 0.00 0.60 0.31 -1.64 -0.92 0.00 0.00 175.35 173.71 2khs s MET 98 N -2.55 3.98 0.26 1.68 -1.94 -1.26 0.62 119.30 120.09 2khs s MET 98 Ca 0.35 -0.09 -0.03 0.00 -1.71 0.00 0.00 55.69 54.21 2khs s MET 98 Cb -0.13 -3.66 0.33 0.00 2.01 0.00 0.00 34.83 33.39 2khs s MET 98 CO 0.28 -0.25 1.82 0.28 -0.01 0.00 0.00 175.02 177.14 2khs h VAL 99 N 5.39 1.23 -0.76 -6.03 2.07 -1.81 -0.27 116.25 116.07 2khs h VAL 99 Ca -0.33 -0.79 0.02 0.00 0.82 0.00 0.00 66.70 66.42 2khs h VAL 99 Cb 1.17 0.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2khs h VAL 99 CO 0.61 0.31 0.49 -0.55 0.02 0.00 0.00 177.57 178.45 2khs h ASN 100 N 0.92 0.82 0.45 0.57 7.08 -1.92 -0.53 115.58 122.98 2khs h ASN 100 Ca 0.21 -0.01 -0.02 0.00 -3.08 0.00 0.00 56.30 53.40 2khs h ASN 100 Cb 0.25 -0.19 0.00 0.00 -2.08 0.00 0.00 38.32 36.30 2khs h ASN 100 CO -0.01 0.58 -0.22 -0.08 -2.08 0.00 0.00 177.43 175.63 2khs h GLU 101 N 0.97 -0.58 -0.29 4.14 4.57 -1.72 -2.94 114.58 118.73 2khs h GLU 101 Ca 0.29 0.04 0.06 0.00 -1.18 0.00 0.00 59.36 58.58 2khs h GLU 101 Cb -0.04 0.13 -0.06 0.00 -0.16 0.00 0.00 28.75 28.61 2khs h GLU 101 CO -0.09 -0.28 -0.13 0.00 -1.18 0.00 0.00 179.01 177.33 2khs h ALA 102 N -0.49 0.10 -0.50 2.92 0.00 -0.84 0.27 119.26 120.72 2khs h ALA 102 Ca -0.06 0.11 0.03 0.00 0.00 0.00 0.00 54.91 54.99 2khs h ALA 102 Cb 0.57 0.33 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 2khs h ALA 102 CO 0.10 -0.53 0.28 -0.07 0.00 0.00 0.00 179.25 179.03 2khs h LEU 103 N -0.09 0.43 -0.33 0.00 3.38 -1.17 0.98 115.31 118.51 2khs h LEU 103 Ca 0.15 0.01 -0.20 0.00 0.09 0.00 0.00 57.88 57.94 2khs h LEU 103 Cb 0.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2khs h LEU 103 CO -0.35 0.30 -0.73 0.58 0.09 0.00 0.00 178.44 178.34 2khs h VAL 104 N 0.55 1.34 -0.29 1.22 2.07 -1.22 0.27 116.25 120.20 2khs h VAL 104 Ca 0.21 -2.05 -0.08 0.00 0.82 0.00 0.00 66.70 65.60 2khs h VAL 104 Cb 0.07 2.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.85 2khs h VAL 104 CO -0.12 0.63 -0.15 0.03 0.02 0.00 0.00 177.57 177.98 2khs h ARG 105 N 0.38 0.50 -0.07 1.57 2.47 -0.08 -1.65 114.38 117.50 2khs h ARG 105 Ca -0.03 -0.15 0.00 0.00 -1.26 0.00 0.00 59.98 58.53 2khs h ARG 105 Cb 1.32 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 29.59 2khs h ARG 105 CO 0.14 0.64 0.00 1.04 0.56 0.00 0.00 179.97 182.34 2khs n GLN 106 N -4.18 1.51 -2.63 0.04 3.00 0.30 -4.92 117.38 110.50 2khs n GLN 106 Ca 0.00 -0.75 -0.16 0.00 -0.01 0.00 0.00 57.00 56.08 2khs n GLN 106 Cb 0.34 -1.43 0.01 0.00 0.00 0.00 0.00 30.24 29.17 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2khs n GLY 107 N 1.08 -0.25 0.84 1.08 0.00 -0.62 -4.88 105.19 102.44 2khs n GLY 107 Ca 0.18 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.14 2khs n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2khs n LEU 108 N -2.78 2.90 -3.57 0.99 4.77 0.89 -4.96 117.00 115.24 2khs n LEU 108 Ca -0.12 -1.43 -0.11 0.00 -0.03 0.00 0.00 56.01 54.32 2khs n LEU 108 Cb 0.61 -0.16 -0.04 0.00 -2.33 0.00 0.00 43.42 41.51 2khs n LEU 108 CO 0.30 0.62 0.24 0.00 -1.33 0.00 0.00 177.39 177.23 2khs s ALA 109 N -1.27 -1.15 0.44 -1.18 0.00 -1.14 -4.74 121.76 112.72 2khs s ALA 109 Ca 0.27 0.12 0.07 0.00 0.00 0.00 0.00 51.96 52.43 2khs s ALA 109 Cb 0.17 0.76 -0.03 0.00 0.00 0.00 0.00 23.12 24.02 2khs s ALA 109 CO 0.23 -0.69 0.23 0.15 0.00 0.00 0.00 175.76 175.68 2khs s LYS 110 N -3.79 2.27 -0.07 0.00 1.02 0.84 -4.54 119.74 115.48 2khs s LYS 110 Ca 0.02 -1.86 -0.30 0.00 0.02 0.00 0.00 55.97 53.86 2khs s LYS 110 Cb 0.01 -2.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2khs s LYS 110 CO -0.12 -0.22 1.08 0.54 -0.92 0.00 0.00 175.35 175.71 2khs s VAL 111 N -2.62 4.57 -0.22 3.17 0.11 -1.26 -0.77 120.40 123.38 2khs s VAL 111 Ca 0.39 1.86 -0.20 0.00 -2.93 0.00 0.00 61.98 61.09 2khs s VAL 111 Cb 0.02 -4.19 -0.02 0.00 -1.53 0.00 0.00 36.38 30.65 2khs s VAL 111 CO 0.22 0.02 0.62 0.00 -3.33 0.00 0.00 175.10 172.64 2khs s ALA 112 N 1.93 3.57 -0.76 1.54 0.00 -0.33 -4.73 121.76 122.99 2khs s ALA 112 Ca 0.52 -0.34 -0.25 0.00 0.00 0.00 0.00 51.96 51.89 2khs s ALA 112 Cb -0.21 -2.99 0.05 0.00 0.00 0.00 0.00 23.12 19.97 2khs s ALA 112 CO 0.21 -0.65 1.20 1.52 0.00 0.00 0.00 175.76 178.04 2khs s TYR 113 N 2.13 2.46 -0.08 0.00 -0.85 -1.26 -3.90 117.35 115.84 2khs s TYR 113 Ca 0.27 -0.34 -0.04 0.00 -0.52 0.00 0.00 57.07 56.44 2khs s TYR 113 Cb -0.16 -4.53 -0.04 0.00 0.38 0.00 0.00 41.96 37.62 2khs s TYR 113 CO 0.10 -1.92 0.10 0.08 -1.52 0.00 0.00 175.55 172.39 2khs s VAL 114 N 5.04 5.09 -1.14 -3.49 1.01 -1.26 -4.57 120.40 121.08 2khs s VAL 114 Ca 0.33 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.24 2khs s VAL 114 Cb -0.09 -3.23 -0.03 0.00 0.00 0.00 0.00 36.38 33.02 2khs s VAL 114 CO 0.10 0.55 0.93 0.00 0.00 0.00 0.00 175.10 176.68 2khs n TYR 115 N 1.80 -2.28 -3.85 5.22 9.36 -1.26 -4.92 117.16 121.24 2khs n TYR 115 Ca -0.18 0.88 -0.36 0.00 3.32 0.00 0.00 57.90 61.56 2khs n TYR 115 Cb 0.54 -4.54 -0.13 0.00 -0.63 0.00 0.00 39.34 34.57 2khs n TYR 115 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2khs s LYS 116 N -5.01 3.33 -0.11 2.98 -0.14 -1.26 -4.95 119.74 114.58 2khs s LYS 116 Ca 0.22 -0.67 0.06 0.00 -1.36 0.00 0.00 55.97 54.22 2khs s LYS 116 Cb -0.03 -3.15 0.38 0.00 -1.68 0.00 0.00 37.83 33.34 2khs s LYS 116 CO 0.75 -0.26 1.08 -0.35 -0.76 0.00 0.00 175.35 175.80 2khs n PRO 117 N 4.83 2.77 -2.66 -1.68 -0.04 -1.26 -4.86 135.00 132.10 2khs n PRO 117 Ca -0.17 -1.44 -0.07 0.00 -0.04 0.00 0.00 63.50 61.78 2khs n PRO 117 Cb 0.50 -1.85 0.03 0.00 -0.04 0.00 0.00 33.50 32.14 2khs n PRO 117 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2khs n ASN 118 N 0.28 -5.41 -0.00 3.54 2.85 -1.26 -3.12 115.26 112.13 2khs n ASN 118 Ca 0.13 -0.36 -0.00 0.00 -0.11 0.00 0.00 54.58 54.24 2khs n ASN 118 Cb 0.69 -3.79 -0.00 0.00 1.24 0.00 0.00 39.78 37.92 2khs n ASN 118 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 2khs n ASN 119 N -2.34 -5.86 -1.73 1.20 4.05 -1.26 -0.67 115.26 108.65 2khs n ASN 119 Ca -0.03 0.00 -0.15 0.00 0.45 0.00 0.00 54.58 54.84 2khs n ASN 119 Cb 0.56 -3.36 -0.01 0.00 1.23 0.00 0.00 39.78 38.20 2khs n ASN 119 CO 0.00 0.00 0.00 0.41 -3.05 0.00 0.00 177.26 174.62 2khs n THR 120 N -2.05 -0.71 1.96 -0.44 -1.04 -1.18 -5.25 114.28 105.57 2khs n THR 120 Ca -0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 2khs n THR 120 Cb 0.48 -2.30 0.91 0.00 -1.82 0.00 0.00 70.33 67.60 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00