#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 0.48 -0.15 0.00 2.01 -1.26 -5.09 115.64 111.64 2khs s THR 2 Ca 0.00 -0.48 -0.04 0.00 0.31 0.00 0.00 61.69 61.48 2khs s THR 2 Cb 0.00 -0.96 0.05 0.00 0.01 0.00 0.00 72.50 71.60 2khs s THR 2 CO 0.00 -0.17 0.07 -0.44 -0.69 0.00 0.00 174.62 173.39 2khs s SER 3 N 1.88 2.19 0.00 3.53 0.01 -1.26 -4.98 113.70 115.07 2khs s SER 3 Ca -0.00 -0.50 0.00 0.00 1.31 0.00 0.00 55.95 56.76 2khs s SER 3 Cb -0.17 -0.29 0.00 0.00 0.21 0.00 0.00 66.02 65.77 2khs s SER 3 CO -0.08 -0.32 0.00 0.41 0.41 0.00 0.00 173.24 173.66 2khs n THR 4 N 5.24 0.00 0.19 1.44 -1.04 -1.26 -4.72 114.28 114.13 2khs n THR 4 Ca -0.07 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.06 2khs n THR 4 Cb 0.49 -0.43 0.08 0.00 -1.82 0.00 0.00 70.33 68.65 2khs n THR 4 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2khs h LYS 5 N 0.00 0.00 -5.13 -2.82 1.57 -2.05 -3.41 116.57 104.72 2khs h LYS 5 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2khs h LYS 5 Cb 0.74 0.00 -0.33 0.00 0.08 0.00 0.00 32.23 32.72 2khs h LYS 5 CO 0.00 0.00 -0.84 0.21 -0.57 0.00 0.00 179.45 178.25 2khs s LYS 6 N -3.29 3.08 0.34 3.15 2.20 -1.26 -5.12 119.74 118.83 2khs s LYS 6 Ca 0.03 -0.81 0.07 0.00 -0.36 0.00 0.00 55.97 54.90 2khs s LYS 6 Cb 0.09 -2.57 -0.03 0.00 -1.51 0.00 0.00 37.83 33.81 2khs s LYS 6 CO 0.74 -0.09 0.29 -0.51 -0.36 0.00 0.00 175.35 175.43 2khs s LEU 7 N 1.03 3.60 -0.63 5.43 1.43 -1.26 -4.66 118.68 123.62 2khs s LEU 7 Ca -0.01 -0.50 -0.28 0.00 -1.03 0.00 0.00 54.13 52.31 2khs s LEU 7 Cb -0.14 -2.21 0.02 0.00 0.03 0.00 0.00 46.19 43.88 2khs s LEU 7 CO -0.06 -0.36 1.37 -1.00 0.23 0.00 0.00 176.35 176.54 2khs s HIS 8 N -2.31 2.28 -0.11 0.29 3.76 -1.18 -4.89 115.29 113.13 2khs s HIS 8 Ca 0.41 0.32 0.01 0.00 -0.15 0.00 0.00 55.06 55.66 2khs s HIS 8 Cb -0.06 -4.46 -0.01 0.00 1.11 0.00 0.00 32.58 29.16 2khs s HIS 8 CO 0.27 -1.97 -0.16 0.21 -0.85 0.00 0.00 174.74 172.24 2khs s LYS 9 N 5.62 3.19 0.15 1.40 2.20 -1.26 -0.22 119.74 130.82 2khs s LYS 9 Ca 0.47 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2khs s LYS 9 Cb -0.09 -2.53 -0.04 0.00 -1.51 0.00 0.00 37.83 33.65 2khs s LYS 9 CO 0.22 0.26 0.01 -1.83 -0.36 0.00 0.00 175.35 173.64 2khs s GLU 10 N 0.20 1.00 0.44 4.03 -1.05 0.03 -4.95 118.70 118.41 2khs s GLU 10 Ca -0.09 -1.47 -0.21 0.00 -0.15 0.00 0.00 54.97 53.05 2khs s GLU 10 Cb -0.16 -0.10 -0.11 0.00 -0.44 0.00 0.00 34.13 33.33 2khs s GLU 10 CO 0.06 -0.15 0.96 -1.25 0.95 0.00 0.00 175.26 175.82 2khs s PRO 11 N -3.94 4.18 0.05 -4.83 0.05 -1.26 -0.10 135.00 129.15 2khs s PRO 11 Ca 0.21 1.12 -0.00 0.00 0.05 0.00 0.00 61.00 62.38 2khs s PRO 11 Cb 0.06 -2.17 -0.03 0.00 0.05 0.00 0.00 34.50 32.41 2khs s PRO 11 CO 0.01 -0.07 -0.04 0.00 0.05 0.00 0.00 177.00 176.96 2khs s ALA 12 N -2.20 0.47 -0.13 8.56 0.00 0.71 -4.48 121.76 124.68 2khs s ALA 12 Ca 0.62 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 51.47 2khs s ALA 12 Cb -0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.20 2khs s ALA 12 CO 0.15 -0.28 0.11 0.99 0.00 0.00 0.00 175.76 176.73 2khs s THR 13 N -3.10 5.27 -0.04 0.00 2.01 0.14 -4.36 115.64 115.56 2khs s THR 13 Ca 0.01 0.12 -0.30 0.00 0.31 0.00 0.00 61.69 61.83 2khs s THR 13 Cb 0.02 -3.30 -0.03 0.00 0.01 0.00 0.00 72.50 69.20 2khs s THR 13 CO -0.06 0.59 1.16 -0.22 -0.69 0.00 0.00 174.62 175.40 2khs s LEU 14 N -0.79 4.30 -0.22 4.42 2.96 -1.26 -0.06 118.68 128.03 2khs s LEU 14 Ca 0.13 1.81 -0.16 0.00 -0.22 0.00 0.00 54.13 55.69 2khs s LEU 14 Cb -0.12 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 2khs s LEU 14 CO 0.03 -0.52 -0.30 -0.38 -1.32 0.00 0.00 176.35 173.86 2khs n ILE 15 N 4.42 1.51 -3.62 6.68 2.08 -0.14 -4.89 119.36 125.40 2khs n ILE 15 Ca 0.10 -0.08 -0.05 0.00 0.56 0.00 0.00 62.75 63.27 2khs n ILE 15 Cb 0.47 -2.14 -0.05 0.00 -0.75 0.00 0.00 39.64 37.17 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2khs s LYS 16 N -2.65 0.25 -0.31 0.38 -2.85 -0.81 -5.00 119.74 108.75 2khs s LYS 16 Ca -0.32 0.10 -0.10 0.00 -1.00 0.00 0.00 55.97 54.65 2khs s LYS 16 Cb 0.09 0.12 -0.01 0.00 -2.06 0.00 0.00 37.83 35.97 2khs s LYS 16 CO 0.45 -0.07 0.15 0.00 0.10 0.00 0.00 175.35 175.98 2khs s ALA 17 N -0.83 3.28 -0.16 0.59 0.00 -1.26 0.52 121.76 123.90 2khs s ALA 17 Ca 0.05 -1.39 -0.20 0.00 0.00 0.00 0.00 51.96 50.43 2khs s ALA 17 Cb -0.02 -2.38 -0.23 0.00 0.00 0.00 0.00 23.12 20.49 2khs s ALA 17 CO -0.06 -0.90 0.43 0.82 0.00 0.00 0.00 175.76 176.06 2khs h ILE 18 N 5.66 1.09 -4.57 0.00 5.03 -1.56 -3.49 117.51 119.67 2khs h ILE 18 Ca -0.32 -2.29 -0.40 0.00 -0.12 0.00 0.00 64.86 61.73 2khs h ILE 18 Cb 1.15 2.60 -0.14 0.00 -3.03 0.00 0.00 36.82 37.40 2khs h ILE 18 CO 0.61 0.53 -0.54 -1.81 -0.68 0.00 0.00 178.15 176.26 2khs s ASP 19 N -6.82 1.25 -0.63 1.72 1.01 0.27 -4.97 116.67 108.50 2khs s ASP 19 Ca -0.24 -1.62 -0.05 0.00 0.71 0.00 0.00 52.55 51.35 2khs s ASP 19 Cb 0.04 0.47 -0.02 0.00 1.01 0.00 0.00 42.92 44.42 2khs s ASP 19 CO 0.68 -0.96 2.92 0.61 0.21 0.00 0.00 175.17 178.62 2khs n GLY 20 N -0.52 4.19 0.83 0.21 0.00 -1.26 -3.50 105.19 105.14 2khs n GLY 20 Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 1.69 -1.50 -4.56 1.61 -0.08 -1.26 -4.48 116.55 107.96 2khs n ASP 21 Ca 0.53 0.60 -0.40 0.00 -1.51 0.00 0.00 54.79 54.02 2khs n ASP 21 Cb 0.55 1.69 -0.10 0.00 2.34 0.00 0.00 41.12 45.59 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2khs s THR 22 N -2.00 5.24 0.10 5.18 2.01 -1.23 -2.64 115.64 122.30 2khs s THR 22 Ca 0.00 0.11 0.03 0.00 0.31 0.00 0.00 61.69 62.14 2khs s THR 22 Cb 0.00 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.78 2khs s THR 22 CO 0.00 0.07 -0.09 0.68 -0.69 0.00 0.00 174.62 174.58 2khs s VAL 23 N 1.88 0.91 -0.13 3.82 -7.23 -0.01 -0.57 120.40 119.07 2khs s VAL 23 Ca 0.10 -1.71 0.02 0.00 -1.81 0.00 0.00 61.98 58.57 2khs s VAL 23 Cb -0.16 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.35 2khs s VAL 23 CO 0.11 -0.63 -0.20 -0.75 -0.31 0.00 0.00 175.10 173.32 2khs s LYS 24 N -3.03 2.83 0.14 4.82 2.20 0.18 0.85 119.74 127.74 2khs s LYS 24 Ca 0.07 -0.78 0.05 0.00 -0.36 0.00 0.00 55.97 54.94 2khs s LYS 24 Cb -0.01 -2.31 -0.04 0.00 -1.51 0.00 0.00 37.83 33.96 2khs s LYS 24 CO -0.01 -0.03 -0.11 -0.51 -0.36 0.00 0.00 175.35 174.34 2khs s LEU 25 N 0.86 2.51 -0.24 5.43 1.02 -0.61 -0.96 118.68 126.69 2khs s LEU 25 Ca -0.07 -0.98 -0.01 0.00 0.02 0.00 0.00 54.13 53.09 2khs s LEU 25 Cb -0.15 -0.38 0.03 0.00 0.02 0.00 0.00 46.19 45.70 2khs s LEU 25 CO -0.02 -0.30 -0.09 -0.32 0.02 0.00 0.00 176.35 175.65 2khs s MET 26 N -3.56 2.85 -0.07 1.70 -2.45 0.91 -0.58 119.30 118.09 2khs s MET 26 Ca 0.15 -0.96 0.05 0.00 -1.25 0.00 0.00 55.69 53.68 2khs s MET 26 Cb 0.01 -2.91 -0.00 0.00 1.25 0.00 0.00 34.83 33.18 2khs s MET 26 CO 0.01 -0.37 -0.22 1.52 1.05 0.00 0.00 175.02 177.01 2khs s TYR 27 N 1.31 2.27 -1.88 4.11 1.13 0.47 0.26 117.35 125.02 2khs s TYR 27 Ca 0.01 -0.81 0.00 0.00 -1.41 0.00 0.00 57.07 54.86 2khs s TYR 27 Cb -0.16 -1.52 0.00 0.00 -1.10 0.00 0.00 41.96 39.18 2khs s TYR 27 CO -0.06 -0.30 0.00 1.63 -2.51 0.00 0.00 175.55 174.31 2khs n LYS 28 N 3.32 -1.53 -0.87 -3.49 5.02 -1.26 -0.41 118.16 118.94 2khs n LYS 28 Ca -0.19 1.06 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2khs n LYS 28 Cb 0.53 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -0.83 0.81 3.39 0.72 0.00 -1.26 -5.02 105.19 103.00 2khs n GLY 29 Ca -0.23 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.40 2khs n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2khs s GLN 30 N -0.13 3.06 -0.24 1.61 0.74 0.45 -5.05 119.66 120.10 2khs s GLN 30 Ca 0.00 -0.91 -0.24 0.00 0.05 0.00 0.00 55.36 54.26 2khs s GLN 30 Cb 0.00 -3.60 -0.01 0.00 1.10 0.00 0.00 33.01 30.50 2khs s GLN 30 CO 0.00 -0.55 0.79 -1.25 -0.55 0.00 0.00 175.29 173.73 2khs s PRO 31 N 1.56 4.17 0.11 1.67 0.04 -1.26 -0.40 135.00 140.90 2khs s PRO 31 Ca 0.03 0.86 0.04 0.00 0.04 0.00 0.00 61.00 61.97 2khs s PRO 31 Cb -0.18 -3.64 -0.04 0.00 0.04 0.00 0.00 34.50 30.68 2khs s PRO 31 CO 0.06 -0.48 -0.11 -1.64 0.04 0.00 0.00 177.00 174.87 2khs s MET 32 N 2.73 0.90 -0.33 4.56 -1.94 0.25 -4.97 119.30 120.51 2khs s MET 32 Ca 0.33 -1.22 -0.22 0.00 -1.71 0.00 0.00 55.69 52.87 2khs s MET 32 Cb -0.15 -0.59 0.00 0.00 2.01 0.00 0.00 34.83 36.10 2khs s MET 32 CO 0.08 0.09 0.72 0.99 -0.01 0.00 0.00 175.02 176.89 2khs s THR 33 N -2.57 4.83 0.36 2.05 2.01 -1.26 -1.57 115.64 119.49 2khs s THR 33 Ca 0.08 0.91 0.07 0.00 0.31 0.00 0.00 61.69 63.06 2khs s THR 33 Cb -0.02 -4.12 -0.01 0.00 0.01 0.00 0.00 72.50 68.36 2khs s THR 33 CO 0.00 -0.29 0.44 -0.36 -0.69 0.00 0.00 174.62 173.73 2khs s PHE 34 N 2.87 2.95 -0.01 4.92 0.40 0.25 -0.81 117.98 128.55 2khs s PHE 34 Ca 0.29 -0.31 0.00 0.00 -0.60 0.00 0.00 56.93 56.31 2khs s PHE 34 Cb -0.14 -2.06 0.01 0.00 0.51 0.00 0.00 43.02 41.33 2khs s PHE 34 CO 0.14 -0.08 -0.00 0.50 0.70 0.00 0.00 175.22 176.48 2khs s ARG 35 N -4.17 0.08 -0.12 0.44 3.52 0.98 -0.83 118.95 118.85 2khs s ARG 35 Ca 0.47 0.02 -0.29 0.00 -0.13 0.00 0.00 55.73 55.80 2khs s ARG 35 Cb -0.08 -0.17 -0.04 0.00 -1.56 0.00 0.00 34.95 33.10 2khs s ARG 35 CO 0.30 -0.04 1.54 -0.51 -0.81 0.00 0.00 175.30 175.78 2khs s LEU 36 N 0.34 4.20 0.21 -0.88 1.02 -1.08 -2.62 118.68 119.87 2khs s LEU 36 Ca -0.03 1.97 -0.32 0.00 0.02 0.00 0.00 54.13 55.77 2khs s LEU 36 Cb -0.05 -3.53 -0.13 0.00 0.02 0.00 0.00 46.19 42.50 2khs s LEU 36 CO -0.01 -0.94 1.61 0.18 0.02 0.00 0.00 176.35 177.22 2khs n LEU 37 N 7.22 3.64 -0.54 1.79 4.77 0.37 -2.37 117.00 131.88 2khs n LEU 37 Ca 0.17 1.09 -0.07 0.00 -0.03 0.00 0.00 56.01 57.17 2khs n LEU 37 Cb 0.44 -1.51 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2khs n LEU 37 CO 0.61 -0.07 -0.07 0.18 -1.33 0.00 0.00 177.39 176.72 2khs n LEU 38 N 3.24 -0.51 -4.40 2.23 4.77 -1.26 -4.84 117.00 116.23 2khs n LEU 38 Ca 0.14 0.18 -0.34 0.00 -0.03 0.00 0.00 56.01 55.96 2khs n LEU 38 Cb 0.33 -1.31 -0.13 0.00 -2.33 0.00 0.00 43.42 39.97 2khs n LEU 38 CO 0.64 -0.37 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.25 2khs s VAL 39 N -2.26 3.52 -0.23 4.08 1.01 -1.00 -1.05 120.40 124.47 2khs s VAL 39 Ca 0.00 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.52 2khs s VAL 39 Cb 0.00 -2.56 0.06 0.00 0.00 0.00 0.00 36.38 33.88 2khs s VAL 39 CO 0.00 0.47 -0.06 -0.62 0.00 0.00 0.00 175.10 174.89 2khs s ASP 40 N 0.82 3.86 -0.58 3.32 2.15 0.78 -4.53 116.67 122.48 2khs s ASP 40 Ca -0.02 -1.17 -0.01 0.00 0.43 0.00 0.00 52.55 51.78 2khs s ASP 40 Cb -0.15 -1.19 0.15 0.00 -0.30 0.00 0.00 42.92 41.43 2khs s ASP 40 CO 0.01 -0.23 0.38 0.42 -0.17 0.00 0.00 175.17 175.58 2khs s THR 41 N 1.39 3.40 0.00 1.71 -4.23 -1.26 -0.65 115.64 116.00 2khs s THR 41 Ca -0.06 -2.99 0.00 0.00 -1.18 0.00 0.00 61.69 57.47 2khs s THR 41 Cb -0.19 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.40 2khs s THR 41 CO -0.06 -0.84 0.00 -0.81 -0.54 0.00 0.00 174.62 172.36 2khs n PRO 42 N 3.47 3.55 -4.25 3.99 -0.04 -1.26 -5.02 135.00 135.44 2khs n PRO 42 Ca 0.07 0.00 -0.20 0.00 -0.04 0.00 0.00 63.50 63.33 2khs n PRO 42 Cb 0.37 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.71 2khs n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 2khs s GLU 43 N 3.31 1.05 0.21 0.54 2.12 -1.26 -4.98 118.70 119.68 2khs s GLU 43 Ca 0.00 -1.22 -0.02 0.00 0.36 0.00 0.00 54.97 54.09 2khs s GLU 43 Cb 0.00 -1.04 0.01 0.00 0.26 0.00 0.00 34.13 33.36 2khs s GLU 43 CO 0.00 0.21 0.31 -2.37 -0.54 0.00 0.00 175.26 172.87 2khs n THR 44 N 0.68 0.00 0.05 -1.70 5.66 -1.26 -5.02 114.28 112.69 2khs n THR 44 Ca -0.16 -0.94 0.01 0.00 -3.05 0.00 0.00 64.05 59.90 2khs n THR 44 Cb 0.56 0.62 0.33 0.00 -1.55 0.00 0.00 70.33 70.28 2khs n THR 44 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2khs h LYS 45 N 0.00 0.40 -6.49 1.09 3.11 -2.04 -3.40 116.57 109.24 2khs h LYS 45 Ca -0.16 -0.09 -0.53 0.00 -2.81 0.00 0.00 60.65 57.05 2khs h LYS 45 Cb 0.69 -0.05 0.02 0.00 -1.00 0.00 0.00 32.23 31.88 2khs h LYS 45 CO 0.22 0.49 0.83 -1.01 -2.81 0.00 0.00 179.45 177.16 2khs s HIS 46 N -4.83 2.95 -0.00 1.91 3.76 -1.26 -4.85 115.29 112.97 2khs s HIS 46 Ca -0.07 0.75 -0.27 0.00 -0.15 0.00 0.00 55.06 55.33 2khs s HIS 46 Cb 0.15 -3.76 -0.13 0.00 1.11 0.00 0.00 32.58 29.95 2khs s HIS 46 CO 0.75 -2.82 0.71 -2.30 -0.85 0.00 0.00 174.74 170.24 2khs n PRO 47 N 4.67 0.00 -0.17 8.40 -0.02 -1.26 -4.73 135.00 141.89 2khs n PRO 47 Ca 0.13 0.00 -0.02 0.00 -2.02 0.00 0.00 63.50 61.59 2khs n PRO 47 Cb 0.42 -1.00 0.05 0.00 -0.02 0.00 0.00 33.50 32.95 2khs n PRO 47 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2khs h LYS 48 N 2.00 0.04 -0.25 -0.52 3.64 -1.89 0.11 116.57 119.70 2khs h LYS 48 Ca -0.34 -0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.04 2khs h LYS 48 Cb 0.95 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.76 2khs h LYS 48 CO 0.43 0.03 0.00 1.63 -2.27 0.00 0.00 179.45 179.27 2khs n LYS 49 N -5.32 1.53 -0.13 1.90 5.02 -1.26 -0.72 118.16 119.18 2khs n LYS 49 Ca 0.05 -0.78 -0.28 0.00 -2.02 0.00 0.00 58.31 55.29 2khs n LYS 49 Cb 0.28 -1.19 -0.10 0.00 -0.02 0.00 0.00 35.03 33.99 2khs n LYS 49 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 50 N 0.81 -0.53 0.12 0.72 0.00 0.29 -4.38 105.19 102.22 2khs n GLY 50 Ca 0.07 -0.09 0.13 0.00 0.00 0.00 0.00 46.02 46.14 2khs n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2khs n VAL 51 N -4.23 0.00 -0.07 1.61 0.24 -0.75 -4.04 118.33 111.08 2khs n VAL 51 Ca -0.49 -0.06 0.07 0.00 -2.04 0.00 0.00 64.34 61.81 2khs n VAL 51 Cb 0.85 0.07 0.43 0.00 -1.47 0.00 0.00 33.84 33.72 2khs n VAL 51 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2khs h GLU 52 N 0.59 0.56 0.00 7.34 4.81 -1.13 -2.33 114.58 124.42 2khs h GLU 52 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2khs h GLU 52 Cb 0.44 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2khs h GLU 52 CO 0.00 0.37 0.11 1.57 -0.73 0.00 0.00 179.01 180.33 2khs h LYS 53 N 0.57 0.00 0.00 1.92 2.10 -1.83 -0.46 116.57 118.87 2khs h LYS 53 Ca 0.23 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.85 2khs h LYS 53 Cb 0.19 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.51 2khs h LYS 53 CO -0.06 0.00 -0.14 1.88 -2.00 0.00 0.00 179.45 179.12 2khs h TYR 54 N 0.00 0.00 0.73 0.07 0.05 -1.73 -3.02 116.97 113.07 2khs h TYR 54 Ca 0.00 0.00 -0.04 0.00 0.05 0.00 0.00 58.73 58.74 2khs h TYR 54 Cb 0.22 0.00 0.01 0.00 1.01 0.00 0.00 36.73 37.96 2khs h TYR 54 CO 0.00 0.14 -0.35 0.78 -1.05 0.00 0.00 178.16 177.68 2khs h GLY 55 N 3.53 -1.03 2.00 3.88 0.00 -1.26 0.16 103.07 110.36 2khs h GLY 55 Ca -0.00 0.38 0.00 0.00 0.00 0.00 0.00 47.33 47.71 2khs h GLY 55 CO 0.02 -0.37 0.00 -1.05 0.00 0.00 0.00 176.54 175.14 2khs n PRO 56 N -5.44 0.10 -0.04 4.80 -0.02 -1.25 -1.16 135.00 131.99 2khs n PRO 56 Ca -0.13 0.35 -0.15 0.00 -2.02 0.00 0.00 63.50 61.55 2khs n PRO 56 Cb 0.40 -1.70 -0.13 0.00 -0.02 0.00 0.00 33.50 32.05 2khs n PRO 56 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2khs h GLU 57 N 0.00 0.08 -0.37 -0.52 4.57 -1.37 -2.87 114.58 114.11 2khs h GLU 57 Ca 0.00 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 57.94 2khs h GLU 57 Cb 0.30 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.92 2khs h GLU 57 CO 0.00 0.99 -0.28 0.00 -1.18 0.00 0.00 179.01 178.54 2khs h ALA 58 N 0.10 0.82 -0.34 2.92 0.00 -0.30 -0.71 119.26 121.74 2khs h ALA 58 Ca -0.03 -0.40 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 2khs h ALA 58 Cb 1.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2khs h ALA 58 CO 0.03 0.64 -0.27 0.66 0.00 0.00 0.00 179.25 180.31 2khs h SER 59 N 0.66 0.72 -0.33 0.00 4.64 -1.26 0.73 113.55 118.71 2khs h SER 59 Ca 0.08 -0.27 -0.08 0.00 -0.47 0.00 0.00 61.79 61.04 2khs h SER 59 Cb 0.81 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 62.69 2khs h SER 59 CO 0.07 0.96 -0.11 0.00 -0.87 0.00 0.00 176.83 176.88 2khs h ALA 60 N 1.09 0.46 -0.19 5.18 0.00 -1.37 -2.25 119.26 122.17 2khs h ALA 60 Ca 0.08 -0.31 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2khs h ALA 60 Cb 0.77 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2khs h ALA 60 CO 0.06 0.32 0.10 0.35 0.00 0.00 0.00 179.25 180.08 2khs h PHE 61 N 0.43 0.18 -0.09 0.00 3.57 -0.85 -1.27 116.94 118.91 2khs h PHE 61 Ca 0.08 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2khs h PHE 61 Cb 0.62 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.30 2khs h PHE 61 CO 0.05 0.11 0.04 1.79 -2.23 0.00 0.00 178.31 178.07 2khs h THR 62 N 0.21 1.13 -0.42 4.41 1.35 -0.87 -2.26 112.91 116.47 2khs h THR 62 Ca 0.08 -0.40 0.05 0.00 -0.55 0.00 0.00 66.41 65.58 2khs h THR 62 Cb 0.01 1.23 -0.04 0.00 -1.73 0.00 0.00 68.15 67.61 2khs h THR 62 CO -0.05 0.12 0.17 0.11 -0.25 0.00 0.00 175.52 175.62 2khs h LYS 63 N 0.01 0.34 -0.49 4.72 1.57 -1.25 0.65 116.57 122.13 2khs h LYS 63 Ca 0.03 -0.02 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2khs h LYS 63 Cb 0.15 -0.08 -0.05 0.00 0.08 0.00 0.00 32.23 32.34 2khs h LYS 63 CO -0.00 0.23 0.22 0.87 -0.57 0.00 0.00 179.45 180.20 2khs h LYS 64 N 0.35 0.43 -0.17 3.15 1.57 -1.14 0.75 116.57 121.51 2khs h LYS 64 Ca 0.19 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.90 2khs h LYS 64 Cb 0.15 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2khs h LYS 64 CO -0.17 0.28 -0.09 1.98 -0.57 0.00 0.00 179.45 180.88 2khs h MET 65 N 0.44 0.35 -0.24 3.15 4.05 -0.78 -1.33 114.93 120.57 2khs h MET 65 Ca 0.22 -0.16 -0.15 0.00 -0.28 0.00 0.00 59.70 59.33 2khs h MET 65 Cb 0.16 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.95 2khs h MET 65 CO -0.18 0.67 -0.47 -0.39 0.23 0.00 0.00 176.91 176.77 2khs h VAL 66 N 0.03 1.30 -0.12 -5.77 -1.51 -0.69 -1.46 116.25 108.03 2khs h VAL 66 Ca 0.04 -1.67 -0.16 0.00 -1.23 0.00 0.00 66.70 63.67 2khs h VAL 66 Cb 0.57 1.63 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2khs h VAL 66 CO 0.03 0.53 -0.61 -0.33 -1.23 0.00 0.00 177.57 175.95 2khs h GLU 67 N 0.49 0.42 -0.20 5.19 5.08 -0.87 -3.21 114.58 121.49 2khs h GLU 67 Ca 0.03 -0.29 -0.18 0.00 -1.00 0.00 0.00 59.36 57.92 2khs h GLU 67 Cb 1.00 0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2khs h GLU 67 CO 0.09 0.90 -0.62 -0.97 -1.00 0.00 0.00 179.01 177.42 2khs h ASN 68 N 0.31 0.76 -4.17 1.42 -0.00 -1.06 -3.45 115.58 109.39 2khs h ASN 68 Ca -0.01 -0.44 -0.52 0.00 -0.00 0.00 0.00 56.30 55.33 2khs h ASN 68 Cb 1.15 -0.22 0.13 0.00 -0.00 0.00 0.00 38.32 39.37 2khs h ASN 68 CO 0.11 1.19 0.40 0.00 -0.00 0.00 0.00 177.43 179.13 2khs s ALA 69 N -3.94 2.32 -0.44 1.57 0.00 -0.57 -4.93 121.76 115.77 2khs s ALA 69 Ca -0.09 0.78 0.23 0.00 0.00 0.00 0.00 51.96 52.88 2khs s ALA 69 Cb 0.10 -3.41 0.25 0.00 0.00 0.00 0.00 23.12 20.06 2khs s ALA 69 CO 0.87 -1.53 1.32 0.87 0.00 0.00 0.00 175.76 177.29 2khs h LYS 70 N 0.03 0.00 -4.28 0.00 1.57 -1.87 -3.45 116.57 108.57 2khs h LYS 70 Ca -0.48 0.00 -0.49 0.00 -1.87 0.00 0.00 60.65 57.81 2khs h LYS 70 Cb 1.28 0.00 -0.35 0.00 0.08 0.00 0.00 32.23 33.24 2khs h LYS 70 CO 0.52 0.00 -0.80 0.15 -0.57 0.00 0.00 179.45 178.75 2khs s LYS 71 N -3.25 1.41 -0.33 3.15 1.02 -1.26 -4.99 119.74 115.50 2khs s LYS 71 Ca 0.04 -0.27 -0.08 0.00 0.02 0.00 0.00 55.97 55.68 2khs s LYS 71 Cb 0.10 -1.34 0.02 0.00 -0.52 0.00 0.00 37.83 36.08 2khs s LYS 71 CO 0.73 -0.12 0.13 0.42 -0.92 0.00 0.00 175.35 175.59 2khs s ILE 72 N 1.16 4.20 -0.07 2.17 1.01 -1.26 -0.03 121.20 128.39 2khs s ILE 72 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2khs s ILE 72 Cb -0.14 -3.25 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2khs s ILE 72 CO -0.02 -0.06 -0.16 -1.61 0.00 0.00 0.00 174.94 173.09 2khs s GLU 73 N 1.51 2.66 -0.22 2.79 2.02 0.41 -0.21 118.70 127.67 2khs s GLU 73 Ca 0.02 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.22 2khs s GLU 73 Cb -0.18 -2.37 -0.01 0.00 0.10 0.00 0.00 34.13 31.66 2khs s GLU 73 CO 0.04 0.50 -0.03 0.14 0.02 0.00 0.00 175.26 175.93 2khs s VAL 74 N -0.42 3.55 -0.22 2.63 -7.23 0.85 -0.41 120.40 119.15 2khs s VAL 74 Ca 0.05 -0.44 -0.04 0.00 -1.81 0.00 0.00 61.98 59.73 2khs s VAL 74 Cb -0.12 -2.61 -0.01 0.00 0.56 0.00 0.00 36.38 34.19 2khs s VAL 74 CO 0.02 0.42 -0.03 -0.70 -0.31 0.00 0.00 175.10 174.50 2khs s GLU 75 N 1.36 3.45 0.08 4.82 2.12 0.44 -0.79 118.70 130.19 2khs s GLU 75 Ca 0.04 -0.59 -0.07 0.00 0.36 0.00 0.00 54.97 54.72 2khs s GLU 75 Cb -0.14 -3.05 -0.05 0.00 0.26 0.00 0.00 34.13 31.15 2khs s GLU 75 CO -0.01 -0.15 0.35 -0.06 -0.54 0.00 0.00 175.26 174.84 2khs s PHE 76 N 1.38 3.54 0.84 5.30 0.08 0.69 0.17 117.98 129.97 2khs s PHE 76 Ca 0.05 0.62 -0.10 0.00 0.12 0.00 0.00 56.93 57.62 2khs s PHE 76 Cb -0.14 -2.04 0.18 0.00 -0.57 0.00 0.00 43.02 40.45 2khs s PHE 76 CO -0.01 0.52 1.15 -3.47 -0.10 0.00 0.00 175.22 173.30 2khs n ASP 77 N 0.63 0.58 0.16 1.36 -0.08 -1.26 -3.12 116.55 114.82 2khs n ASP 77 Ca -0.07 -1.72 0.13 0.00 -1.51 0.00 0.00 54.79 51.63 2khs n ASP 77 Cb 0.52 -0.83 0.49 0.00 2.34 0.00 0.00 41.12 43.64 2khs n ASP 77 CO 0.00 0.00 0.00 0.07 0.12 0.00 0.00 177.20 177.39 2khs h LYS 78 N 0.00 0.00 0.00 -0.67 2.10 -1.94 -3.41 116.57 112.65 2khs h LYS 78 Ca -0.37 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.28 2khs h LYS 78 Cb 1.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.48 2khs h LYS 78 CO 0.31 0.00 0.00 0.41 -2.00 0.00 0.00 179.45 178.17 2khs n GLY 79 N 0.39 1.02 3.75 0.07 0.00 -1.26 -5.08 105.19 104.07 2khs n GLY 79 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.82 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 0.86 2.42 -0.03 1.61 -1.52 -1.26 -5.04 119.66 116.69 2khs s GLN 80 Ca 0.00 -1.51 0.11 0.00 -1.95 0.00 0.00 55.36 52.01 2khs s GLN 80 Cb 0.00 -2.21 -0.17 0.00 -0.22 0.00 0.00 33.01 30.41 2khs s GLN 80 CO 0.00 0.11 0.22 0.54 -0.25 0.00 0.00 175.29 175.91 2khs n ARG 81 N -1.18 0.61 -4.23 2.91 1.74 -1.26 -4.50 116.66 110.75 2khs n ARG 81 Ca -0.03 -0.09 -0.17 0.00 -0.77 0.00 0.00 57.85 56.79 2khs n ARG 81 Cb 0.61 -1.27 -0.11 0.00 -1.02 0.00 0.00 32.46 30.67 2khs n ARG 81 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 2khs s THR 82 N -2.72 1.23 0.00 0.55 -4.23 -1.26 -0.60 115.64 108.62 2khs s THR 82 Ca -0.04 -1.76 0.00 0.00 -1.18 0.00 0.00 61.69 58.71 2khs s THR 82 Cb 0.07 -1.55 0.00 0.00 1.34 0.00 0.00 72.50 72.36 2khs s THR 82 CO 0.47 -0.50 0.00 -0.90 -0.54 0.00 0.00 174.62 173.15 2khs n ASP 83 N 0.42 0.00 -0.57 3.99 5.68 -0.65 -4.86 116.55 120.56 2khs n ASP 83 Ca -0.15 -0.77 0.05 0.00 -0.50 0.00 0.00 54.79 53.43 2khs n ASP 83 Cb 0.58 0.00 0.12 0.00 -1.14 0.00 0.00 41.12 40.68 2khs n ASP 83 CO 0.00 0.00 0.00 2.29 -1.33 0.00 0.00 177.20 178.16 2khs n LYS 84 N -0.77 2.39 0.06 0.11 2.85 -1.26 -4.35 118.16 117.19 2khs n LYS 84 Ca 0.00 -1.84 0.01 0.00 -1.05 0.00 0.00 58.31 55.43 2khs n LYS 84 Cb 0.00 -1.24 -0.05 0.00 -0.65 0.00 0.00 35.03 33.08 2khs n LYS 84 CO 0.00 0.00 0.00 -0.92 -0.05 0.00 0.00 177.40 176.43 2khs h TYR 85 N 1.95 0.00 0.00 5.58 5.03 -2.05 -3.47 116.97 124.01 2khs h TYR 85 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2khs h TYR 85 Cb 0.66 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.94 2khs h TYR 85 CO 0.17 0.56 0.00 0.41 -1.32 0.00 0.00 178.16 177.99 2khs n GLY 86 N 1.34 0.67 3.29 1.82 0.00 -1.26 -5.13 105.19 105.93 2khs n GLY 86 Ca -0.06 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 2khs n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khs s ARG 87 N 0.66 0.84 -0.12 1.61 6.06 -1.26 -4.97 118.95 121.77 2khs s ARG 87 Ca 0.00 -0.34 -0.14 0.00 -2.50 0.00 0.00 55.73 52.75 2khs s ARG 87 Cb 0.00 0.37 -0.05 0.00 0.06 0.00 0.00 34.95 35.34 2khs s ARG 87 CO 0.00 -0.27 0.32 0.20 -2.50 0.00 0.00 175.30 173.04 2khs s GLY 88 N -1.85 2.28 -0.17 8.12 0.00 0.01 -1.64 107.32 114.07 2khs s GLY 88 Ca -0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 44.72 44.23 2khs s GLY 88 CO -0.01 0.30 -0.09 0.48 0.00 0.00 0.00 173.10 173.78 2khs s LEU 89 N -0.04 2.83 0.15 0.66 0.05 0.23 -0.02 118.68 122.55 2khs s LEU 89 Ca 0.19 -0.34 -0.15 0.00 0.05 0.00 0.00 54.13 53.88 2khs s LEU 89 Cb -0.14 -1.68 0.02 0.00 -2.05 0.00 0.00 46.19 42.35 2khs s LEU 89 CO 0.07 0.09 0.40 0.00 -0.55 0.00 0.00 176.35 176.35 2khs s ALA 90 N 0.83 -0.71 -0.10 1.48 0.00 -1.08 -4.60 121.76 117.58 2khs s ALA 90 Ca -0.03 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.41 2khs s ALA 90 Cb -0.15 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 2khs s ALA 90 CO 0.01 -0.68 0.67 0.71 0.00 0.00 0.00 175.76 176.47 2khs s TYR 91 N -3.86 3.53 -0.25 0.00 2.02 0.13 -0.48 117.35 118.44 2khs s TYR 91 Ca 0.07 1.16 -0.11 0.00 -0.37 0.00 0.00 57.07 57.82 2khs s TYR 91 Cb 0.02 -2.79 -0.05 0.00 -0.40 0.00 0.00 41.96 38.74 2khs s TYR 91 CO -0.07 0.04 0.20 0.42 -1.57 0.00 0.00 175.55 174.56 2khs s ILE 92 N 1.03 5.33 0.02 2.71 -1.09 -1.26 -0.42 121.20 127.52 2khs s ILE 92 Ca 0.35 0.24 0.07 0.00 -2.23 0.00 0.00 60.65 59.08 2khs s ILE 92 Cb -0.17 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2khs s ILE 92 CO 0.16 0.31 -0.20 -0.31 -1.23 0.00 0.00 174.94 173.67 2khs s TYR 93 N 1.25 2.52 -0.33 3.97 1.51 0.45 -0.73 117.35 125.99 2khs s TYR 93 Ca 0.09 -0.28 0.03 0.00 -1.01 0.00 0.00 57.07 55.90 2khs s TYR 93 Cb -0.14 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.32 2khs s TYR 93 CO 0.06 0.19 0.05 0.00 -1.11 0.00 0.00 175.55 174.74 2khs s ALA 94 N -0.84 2.72 -1.20 3.71 0.00 0.85 -0.45 121.76 126.55 2khs s ALA 94 Ca 0.13 -2.41 -0.23 0.00 0.00 0.00 0.00 51.96 49.46 2khs s ALA 94 Cb -0.10 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.11 2khs s ALA 94 CO 0.03 -1.68 0.71 -3.47 0.00 0.00 0.00 175.76 171.35 2khs n ASP 95 N 4.33 -4.33 0.00 0.00 2.03 0.96 -1.42 116.55 118.12 2khs n ASP 95 Ca 0.03 -1.11 0.00 0.00 0.52 0.00 0.00 54.79 54.23 2khs n ASP 95 Cb 0.42 -2.81 0.00 0.00 -0.72 0.00 0.00 41.12 38.01 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 -1.85 3.02 3.71 0.27 0.00 -1.26 -4.98 105.19 104.09 2khs n GLY 96 Ca -0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.22 4.54 -0.53 1.61 1.02 -0.51 -4.98 119.74 120.67 2khs s LYS 97 Ca 0.00 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.10 2khs s LYS 97 Cb 0.00 -3.47 0.01 0.00 -0.52 0.00 0.00 37.83 33.85 2khs s LYS 97 CO 0.00 -0.07 1.44 -1.64 -0.92 0.00 0.00 175.35 174.16 2khs s MET 98 N 1.10 3.32 0.12 1.68 -1.94 -1.26 -0.11 119.30 122.21 2khs s MET 98 Ca 0.51 0.56 -0.11 0.00 -1.71 0.00 0.00 55.69 54.94 2khs s MET 98 Cb -0.21 -4.12 -0.11 0.00 2.01 0.00 0.00 34.83 32.40 2khs s MET 98 CO 0.27 -1.90 1.34 0.28 -0.01 0.00 0.00 175.02 174.99 2khs h VAL 99 N 6.42 1.29 -0.40 -6.03 2.07 -1.28 -2.11 116.25 116.21 2khs h VAL 99 Ca -0.27 -1.97 -0.04 0.00 0.82 0.00 0.00 66.70 65.24 2khs h VAL 99 Cb 1.10 1.96 -0.02 0.00 -1.52 0.00 0.00 31.29 32.81 2khs h VAL 99 CO 1.16 0.62 0.10 -0.55 0.02 0.00 0.00 177.57 178.92 2khs h ASN 100 N 0.52 0.61 -0.03 0.57 -1.07 -1.88 -2.41 115.58 111.89 2khs h ASN 100 Ca -0.04 -0.23 -0.08 0.00 0.07 0.00 0.00 56.30 56.01 2khs h ASN 100 Cb 1.37 -0.16 -0.01 0.00 -2.07 0.00 0.00 38.32 37.44 2khs h ASN 100 CO 0.15 0.68 -0.21 -0.08 0.07 0.00 0.00 177.43 178.05 2khs h GLU 101 N 0.51 0.41 -0.72 4.14 4.81 -1.88 -2.60 114.58 119.25 2khs h GLU 101 Ca 0.13 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 2khs h GLU 101 Cb 0.31 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.62 2khs h GLU 101 CO 0.00 0.60 0.39 0.00 -0.73 0.00 0.00 179.01 179.27 2khs h ALA 102 N 1.41 1.33 -0.45 2.92 0.00 -0.91 0.26 119.26 123.83 2khs h ALA 102 Ca 0.06 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2khs h ALA 102 Cb 0.58 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2khs h ALA 102 CO 0.04 0.54 0.18 -0.07 0.00 0.00 0.00 179.25 179.95 2khs h LEU 103 N 1.00 0.62 -0.54 0.00 3.38 -1.06 0.89 115.31 119.61 2khs h LEU 103 Ca 0.25 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.91 2khs h LEU 103 Cb 0.03 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 2khs h LEU 103 CO -0.04 0.61 -0.40 0.58 0.09 0.00 0.00 178.44 179.28 2khs h VAL 104 N 0.59 1.29 -0.46 1.22 2.07 -1.31 0.32 116.25 119.96 2khs h VAL 104 Ca 0.15 -1.58 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 2khs h VAL 104 Cb 0.18 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 2khs h VAL 104 CO -0.01 0.51 0.25 -0.09 0.02 0.00 0.00 177.57 178.25 2khs h ARG 105 N 0.61 0.65 -0.03 1.57 2.43 -0.19 -2.27 114.38 117.14 2khs h ARG 105 Ca 0.05 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2khs h ARG 105 Cb 0.95 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.37 2khs h ARG 105 CO 0.09 0.52 0.00 1.04 -1.51 0.00 0.00 179.97 180.11 2khs n GLN 106 N -4.68 1.25 -2.86 0.20 1.13 0.28 -4.88 117.38 107.83 2khs n GLN 106 Ca 0.01 -0.38 -0.16 0.00 -1.94 0.00 0.00 57.00 54.54 2khs n GLN 106 Cb 0.09 -1.41 0.03 0.00 0.11 0.00 0.00 30.24 29.06 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2khs n GLY 107 N 0.99 -0.15 0.04 1.08 0.00 -0.85 -4.88 105.19 101.41 2khs n GLY 107 Ca 0.18 -0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.19 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 -3.02 0.36 -3.86 0.99 4.77 0.11 -4.97 117.00 111.38 2khs n LEU 108 Ca -0.07 0.05 -0.10 0.00 -0.03 0.00 0.00 56.01 55.86 2khs n LEU 108 Cb 0.58 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.59 2khs n LEU 108 CO 0.35 -0.03 0.11 0.00 -1.33 0.00 0.00 177.39 176.49 2khs s ALA 109 N -3.40 -0.43 0.40 -1.18 0.00 -0.89 -4.85 121.76 111.41 2khs s ALA 109 Ca -0.04 -0.58 0.08 0.00 0.00 0.00 0.00 51.96 51.42 2khs s ALA 109 Cb 0.13 0.85 -0.01 0.00 0.00 0.00 0.00 23.12 24.08 2khs s ALA 109 CO 0.86 -0.71 0.42 0.15 0.00 0.00 0.00 175.76 176.48 2khs s LYS 110 N -3.92 2.69 0.07 0.00 1.02 0.18 -4.07 119.74 115.70 2khs s LYS 110 Ca 0.13 -1.38 -0.30 0.00 0.02 0.00 0.00 55.97 54.45 2khs s LYS 110 Cb 0.01 -2.53 -0.05 0.00 -0.52 0.00 0.00 37.83 34.75 2khs s LYS 110 CO -0.02 -0.15 1.00 0.54 -0.92 0.00 0.00 175.35 175.81 2khs s VAL 111 N -2.39 4.55 0.42 3.17 0.11 -1.26 -0.16 120.40 124.84 2khs s VAL 111 Ca 0.48 1.98 -0.05 0.00 -2.93 0.00 0.00 61.98 61.46 2khs s VAL 111 Cb -0.06 -4.26 -0.04 0.00 -1.53 0.00 0.00 36.38 30.48 2khs s VAL 111 CO 0.29 0.24 0.71 0.00 -3.33 0.00 0.00 175.10 173.01 2khs s ALA 112 N 0.46 3.47 0.27 1.54 0.00 -0.21 -4.69 121.76 122.59 2khs s ALA 112 Ca 0.50 -0.51 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 2khs s ALA 112 Cb -0.23 -2.50 -0.08 0.00 0.00 0.00 0.00 23.12 20.31 2khs s ALA 112 CO 0.30 -0.15 0.64 0.71 0.00 0.00 0.00 175.76 177.26 2khs s TYR 113 N -2.51 3.41 -0.01 0.00 2.02 -1.26 -4.62 117.35 114.37 2khs s TYR 113 Ca 0.47 1.05 -0.21 0.00 -0.37 0.00 0.00 57.07 58.01 2khs s TYR 113 Cb -0.10 -2.40 -0.05 0.00 -0.40 0.00 0.00 41.96 39.00 2khs s TYR 113 CO 0.39 0.19 0.60 0.08 -1.57 0.00 0.00 175.55 175.24 2khs s VAL 114 N -1.88 4.93 0.19 0.71 1.01 -1.26 -4.93 120.40 119.17 2khs s VAL 114 Ca 0.50 1.25 -0.25 0.00 0.00 0.00 0.00 61.98 63.48 2khs s VAL 114 Cb -0.11 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2khs s VAL 114 CO 0.19 0.40 0.80 -0.47 0.00 0.00 0.00 175.10 176.02 2khs s TYR 115 N -0.08 3.88 -0.47 5.22 5.04 -1.26 -5.03 117.35 124.66 2khs s TYR 115 Ca 0.31 1.65 -0.14 0.00 -2.44 0.00 0.00 57.07 56.45 2khs s TYR 115 Cb -0.18 -2.78 0.08 0.00 0.35 0.00 0.00 41.96 39.42 2khs s TYR 115 CO 0.17 0.48 0.38 0.15 -1.34 0.00 0.00 175.55 175.38 2khs s LYS 116 N -1.27 2.90 0.00 4.97 3.01 -1.26 -5.06 119.74 123.03 2khs s LYS 116 Ca 0.38 -1.40 0.00 0.00 -1.01 0.00 0.00 55.97 53.94 2khs s LYS 116 Cb -0.23 -4.07 0.00 0.00 -1.01 0.00 0.00 37.83 32.52 2khs s LYS 116 CO 0.26 -1.03 0.00 -0.35 0.51 0.00 0.00 175.35 174.74 2khs n PRO 117 N 5.15 2.27 -1.74 -1.68 -0.04 -1.26 -4.92 135.00 132.78 2khs n PRO 117 Ca -0.12 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.92 2khs n PRO 117 Cb 0.43 0.00 -0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 0.00 4.32 0.00 3.54 5.15 -1.26 -3.77 115.26 123.24 2khs n ASN 118 Ca 0.00 -2.84 0.00 0.00 -0.60 0.00 0.00 54.58 51.14 2khs n ASN 118 Cb 0.00 -1.64 0.00 0.00 -0.53 0.00 0.00 39.78 37.61 2khs n ASN 118 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 2khs n ASN 119 N 5.74 0.22 -4.63 1.20 3.02 -1.26 -5.05 115.26 114.50 2khs n ASN 119 Ca 0.53 -0.56 -0.43 0.00 -0.03 0.00 0.00 54.58 54.09 2khs n ASN 119 Cb 0.38 0.39 -0.02 0.00 -0.61 0.00 0.00 39.78 39.91 2khs n ASN 119 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 2khs s THR 120 N -0.39 3.81 0.00 3.41 -1.32 -1.25 -5.17 115.64 114.74 2khs s THR 120 Ca 0.00 0.91 0.00 0.00 -1.21 0.00 0.00 61.69 61.39 2khs s THR 120 Cb 0.00 -3.82 0.00 0.00 -1.51 0.00 0.00 72.50 67.17 2khs s THR 120 CO 0.00 -0.34 0.00 0.00 -2.21 0.00 0.00 174.62 172.07