#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs n THR 2 N 0.00 -7.30 -3.15 0.00 -1.04 -1.26 -4.95 114.28 96.58 2khs n THR 2 Ca 0.00 1.44 -0.44 0.00 -2.04 0.00 0.00 64.05 63.01 2khs n THR 2 Cb 0.00 -4.48 -0.06 0.00 -1.82 0.00 0.00 70.33 63.97 2khs n THR 2 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2khs s SER 3 N -0.28 6.21 -0.96 8.00 0.15 -1.26 -4.99 113.70 120.57 2khs s SER 3 Ca -0.01 -1.04 -0.23 0.00 0.70 0.00 0.00 55.95 55.37 2khs s SER 3 Cb 0.00 -2.29 0.06 0.00 -1.71 0.00 0.00 66.02 62.08 2khs s SER 3 CO 0.04 -0.94 1.37 0.42 1.20 0.00 0.00 173.24 175.32 2khs s THR 4 N 2.63 4.03 -0.08 6.45 -4.23 -1.26 -4.96 115.64 118.21 2khs s THR 4 Ca 0.14 -0.73 -0.30 0.00 -1.18 0.00 0.00 61.69 59.63 2khs s THR 4 Cb -0.20 -4.99 -0.04 0.00 1.34 0.00 0.00 72.50 68.61 2khs s THR 4 CO 0.10 -1.85 1.44 -0.54 -0.54 0.00 0.00 174.62 173.23 2khs s LYS 5 N 4.71 4.23 0.22 3.99 1.02 -1.26 -4.88 119.74 127.77 2khs s LYS 5 Ca 0.42 1.93 -0.04 0.00 0.02 0.00 0.00 55.97 58.30 2khs s LYS 5 Cb -0.02 -3.79 0.21 0.00 -0.52 0.00 0.00 37.83 33.71 2khs s LYS 5 CO -0.06 -0.72 1.65 0.87 -0.92 0.00 0.00 175.35 176.17 2khs h LYS 6 N 8.56 0.77 -6.24 1.68 1.57 -1.99 -3.36 116.57 117.56 2khs h LYS 6 Ca -0.34 -0.29 -0.57 0.00 -1.87 0.00 0.00 60.65 57.57 2khs h LYS 6 Cb 1.15 -0.05 -0.09 0.00 0.08 0.00 0.00 32.23 33.32 2khs h LYS 6 CO 0.94 0.90 0.86 -0.51 -0.57 0.00 0.00 179.45 181.07 2khs s LEU 7 N -8.94 3.63 0.31 2.94 1.43 -1.26 -4.99 118.68 111.80 2khs s LEU 7 Ca -0.09 -0.25 -0.28 0.00 -1.03 0.00 0.00 54.13 52.48 2khs s LEU 7 Cb 0.13 -2.86 -0.09 0.00 0.03 0.00 0.00 46.19 43.40 2khs s LEU 7 CO 0.83 -1.51 1.08 -1.38 0.23 0.00 0.00 176.35 175.60 2khs s HIS 8 N 4.82 3.51 0.03 0.29 -3.43 -1.26 -4.76 115.29 114.50 2khs s HIS 8 Ca 0.36 1.70 0.04 0.00 -0.80 0.00 0.00 55.06 56.36 2khs s HIS 8 Cb -0.10 -3.22 -0.04 0.00 -1.43 0.00 0.00 32.58 27.79 2khs s HIS 8 CO 0.20 -0.51 -0.07 -1.59 -2.00 0.00 0.00 174.74 170.76 2khs s LYS 9 N -1.72 2.44 0.02 -0.38 -2.85 -1.26 -0.94 119.74 115.04 2khs s LYS 9 Ca 0.48 -0.81 0.01 0.00 -1.00 0.00 0.00 55.97 54.65 2khs s LYS 9 Cb -0.29 -2.45 -0.02 0.00 -2.06 0.00 0.00 37.83 33.02 2khs s LYS 9 CO 0.37 0.57 -0.04 -1.83 0.10 0.00 0.00 175.35 174.53 2khs s GLU 10 N -1.65 0.31 0.48 1.78 -1.05 0.58 -4.92 118.70 114.23 2khs s GLU 10 Ca 0.19 -0.51 -0.20 0.00 -0.15 0.00 0.00 54.97 54.29 2khs s GLU 10 Cb -0.11 -0.03 -0.09 0.00 -0.44 0.00 0.00 34.13 33.46 2khs s GLU 10 CO 0.10 -0.01 1.04 -2.14 0.95 0.00 0.00 175.26 175.20 2khs s PRO 11 N -1.14 3.82 0.05 -4.83 0.02 -1.26 0.09 135.00 131.75 2khs s PRO 11 Ca -0.11 1.37 0.01 0.00 0.02 0.00 0.00 61.00 62.29 2khs s PRO 11 Cb -0.08 -2.12 -0.03 0.00 0.02 0.00 0.00 34.50 32.29 2khs s PRO 11 CO -0.00 -0.42 -0.05 0.00 -0.33 0.00 0.00 177.00 176.20 2khs s ALA 12 N -1.96 0.53 -0.14 -1.55 0.00 0.04 -4.00 121.76 114.67 2khs s ALA 12 Ca 0.67 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.58 2khs s ALA 12 Cb -0.17 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.07 2khs s ALA 12 CO 0.20 -0.20 0.13 0.99 0.00 0.00 0.00 175.76 176.88 2khs s THR 13 N -2.62 5.38 0.03 0.00 2.01 0.14 -3.85 115.64 116.74 2khs s THR 13 Ca -0.02 0.17 -0.26 0.00 0.31 0.00 0.00 61.69 61.88 2khs s THR 13 Cb -0.02 -3.37 -0.05 0.00 0.01 0.00 0.00 72.50 69.08 2khs s THR 13 CO -0.04 0.57 0.83 -0.22 -0.69 0.00 0.00 174.62 175.06 2khs s LEU 14 N -0.61 4.42 -0.17 4.42 2.96 -1.26 0.50 118.68 128.95 2khs s LEU 14 Ca 0.13 1.50 -0.14 0.00 -0.22 0.00 0.00 54.13 55.39 2khs s LEU 14 Cb -0.12 -3.33 -0.05 0.00 0.50 0.00 0.00 46.19 43.19 2khs s LEU 14 CO 0.02 -0.07 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.33 2khs n ILE 15 N 3.16 1.47 -3.64 6.68 2.08 -0.01 -4.87 119.36 124.24 2khs n ILE 15 Ca 0.00 0.15 -0.06 0.00 0.56 0.00 0.00 62.75 63.41 2khs n ILE 15 Cb 0.50 -2.35 -0.06 0.00 -0.75 0.00 0.00 39.64 36.98 2khs n ILE 15 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 2khs s LYS 16 N -2.62 0.26 -0.22 0.38 2.47 -0.95 -5.02 119.74 114.03 2khs s LYS 16 Ca -0.24 0.24 -0.18 0.00 -1.56 0.00 0.00 55.97 54.23 2khs s LYS 16 Cb 0.04 0.12 -0.03 0.00 -1.46 0.00 0.00 37.83 36.50 2khs s LYS 16 CO 0.35 -0.04 0.51 0.00 0.16 0.00 0.00 175.35 176.33 2khs s ALA 17 N -0.16 3.56 -0.07 3.13 0.00 -1.26 -0.19 121.76 126.77 2khs s ALA 17 Ca 0.05 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.48 2khs s ALA 17 Cb -0.04 -2.84 -0.02 0.00 0.00 0.00 0.00 23.12 20.23 2khs s ALA 17 CO -0.10 -0.56 -0.09 -0.89 0.00 0.00 0.00 175.76 174.12 2khs n ILE 18 N 4.79 0.74 -4.37 0.00 5.41 -0.35 -4.83 119.36 120.74 2khs n ILE 18 Ca -0.05 0.35 -0.21 0.00 1.00 0.00 0.00 62.75 63.85 2khs n ILE 18 Cb 0.50 -1.97 -0.07 0.00 -0.71 0.00 0.00 39.64 37.40 2khs n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2khs n ASP 19 N -3.48 0.37 -2.84 4.38 8.00 -0.51 -4.94 116.55 117.54 2khs n ASP 19 Ca -0.04 -3.00 -0.29 0.00 0.71 0.00 0.00 54.79 52.17 2khs n ASP 19 Cb 0.14 1.21 -0.08 0.00 -0.02 0.00 0.00 41.12 42.37 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2khs n GLY 20 N -0.57 3.93 0.00 0.44 0.00 -1.26 -2.67 105.19 105.06 2khs n GLY 20 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 2khs n GLY 20 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2khs n ASP 21 N 2.86 0.00 -4.26 1.61 5.75 -1.26 -3.94 116.55 117.31 2khs n ASP 21 Ca 0.63 0.00 -0.37 0.00 -0.01 0.00 0.00 54.79 55.04 2khs n ASP 21 Cb 0.48 0.00 -0.13 0.00 -1.03 0.00 0.00 41.12 40.45 2khs n ASP 21 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2khs s THR 22 N 0.00 3.70 -0.01 2.12 -4.23 -1.09 -2.63 115.64 113.49 2khs s THR 22 Ca 0.00 -1.16 0.04 0.00 -1.18 0.00 0.00 61.69 59.39 2khs s THR 22 Cb 0.00 -3.10 -0.01 0.00 1.34 0.00 0.00 72.50 70.73 2khs s THR 22 CO 0.00 -0.17 -0.14 0.54 -0.54 0.00 0.00 174.62 174.31 2khs s VAL 23 N 1.39 1.09 -0.26 2.29 0.11 -0.54 -1.22 120.40 123.27 2khs s VAL 23 Ca -0.02 -0.58 -0.08 0.00 -2.93 0.00 0.00 61.98 58.38 2khs s VAL 23 Cb -0.20 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2khs s VAL 23 CO 0.02 0.31 0.08 -0.75 -3.33 0.00 0.00 175.10 171.43 2khs s LYS 24 N -0.24 3.61 0.16 1.54 2.20 0.73 0.25 119.74 127.99 2khs s LYS 24 Ca 0.04 -0.51 0.07 0.00 -0.36 0.00 0.00 55.97 55.21 2khs s LYS 24 Cb -0.06 -3.35 -0.04 0.00 -1.51 0.00 0.00 37.83 32.87 2khs s LYS 24 CO -0.00 -0.22 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.11 2khs s LEU 25 N 1.61 2.46 -0.43 5.43 1.02 -0.87 -0.83 118.68 127.07 2khs s LEU 25 Ca 0.06 -0.89 -0.05 0.00 0.02 0.00 0.00 54.13 53.27 2khs s LEU 25 Cb -0.15 -0.67 0.11 0.00 0.02 0.00 0.00 46.19 45.50 2khs s LEU 25 CO 0.04 -0.12 0.26 -0.32 0.02 0.00 0.00 176.35 176.23 2khs s MET 26 N -2.98 2.18 -0.37 1.70 1.75 0.18 -0.39 119.30 121.36 2khs s MET 26 Ca 0.15 -1.81 -0.15 0.00 -1.25 0.00 0.00 55.69 52.63 2khs s MET 26 Cb -0.04 -3.71 -0.00 0.00 2.84 0.00 0.00 34.83 33.92 2khs s MET 26 CO 0.05 -1.12 0.34 1.52 -0.65 0.00 0.00 175.02 175.16 2khs s TYR 27 N 1.21 3.21 -1.49 4.11 1.13 0.66 0.25 117.35 126.44 2khs s TYR 27 Ca 0.07 -0.25 -0.02 0.00 -1.41 0.00 0.00 57.07 55.47 2khs s TYR 27 Cb -0.24 -2.65 0.01 0.00 -1.10 0.00 0.00 41.96 37.97 2khs s TYR 27 CO -0.03 -0.50 0.18 1.63 -2.51 0.00 0.00 175.55 174.32 2khs n LYS 28 N 5.32 -2.69 -0.22 -3.49 5.02 -1.26 -0.71 118.16 120.12 2khs n LYS 28 Ca -0.10 0.83 0.00 0.00 -2.02 0.00 0.00 58.31 57.02 2khs n LYS 28 Cb 0.49 -5.53 0.00 0.00 -0.02 0.00 0.00 35.03 29.97 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 -1.08 0.73 3.27 0.72 0.00 -1.26 -5.05 105.19 102.51 2khs n GLY 29 Ca -0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.78 2.61 -0.53 1.61 -1.52 0.11 -5.05 119.66 116.13 2khs s GLN 30 Ca 0.00 -1.54 -0.27 0.00 -1.95 0.00 0.00 55.36 51.60 2khs s GLN 30 Cb 0.00 -3.86 0.03 0.00 -0.22 0.00 0.00 33.01 28.96 2khs s GLN 30 CO 0.00 -1.03 1.06 -1.25 -0.25 0.00 0.00 175.29 173.82 2khs s PRO 31 N 1.43 3.51 0.12 2.91 0.05 -1.25 -0.24 135.00 141.53 2khs s PRO 31 Ca 0.04 0.17 0.05 0.00 0.05 0.00 0.00 61.00 61.30 2khs s PRO 31 Cb -0.24 -3.98 -0.04 0.00 0.05 0.00 0.00 34.50 30.29 2khs s PRO 31 CO 0.02 -1.47 -0.11 -1.64 0.05 0.00 0.00 177.00 173.84 2khs s MET 32 N 4.35 0.96 -0.49 4.56 -1.94 0.47 -4.95 119.30 122.27 2khs s MET 32 Ca 0.40 -1.27 -0.29 0.00 -1.71 0.00 0.00 55.69 52.82 2khs s MET 32 Cb -0.09 -0.67 0.02 0.00 2.01 0.00 0.00 34.83 36.10 2khs s MET 32 CO 0.25 0.11 1.25 0.99 -0.01 0.00 0.00 175.02 177.61 2khs s THR 33 N -2.61 4.05 0.02 2.05 2.01 -1.26 -2.05 115.64 117.85 2khs s THR 33 Ca 0.10 1.04 -0.11 0.00 0.31 0.00 0.00 61.69 63.03 2khs s THR 33 Cb -0.02 -4.50 -0.05 0.00 0.01 0.00 0.00 72.50 67.93 2khs s THR 33 CO 0.01 -1.01 0.35 -0.36 -0.69 0.00 0.00 174.62 172.92 2khs s PHE 34 N 4.96 3.63 -0.31 4.92 0.40 0.14 0.28 117.98 132.01 2khs s PHE 34 Ca 0.51 0.79 -0.05 0.00 -0.60 0.00 0.00 56.93 57.58 2khs s PHE 34 Cb -0.09 -2.15 0.03 0.00 0.51 0.00 0.00 43.02 41.32 2khs s PHE 34 CO 0.31 0.60 0.05 0.50 0.70 0.00 0.00 175.22 177.38 2khs s ARG 35 N -1.50 2.76 0.04 0.44 6.06 0.73 -1.46 118.95 126.01 2khs s ARG 35 Ca 0.27 -1.06 -0.30 0.00 -2.50 0.00 0.00 55.73 52.13 2khs s ARG 35 Cb -0.15 -3.31 -0.08 0.00 0.06 0.00 0.00 34.95 31.47 2khs s ARG 35 CO 0.14 -0.55 1.80 -0.51 -2.50 0.00 0.00 175.30 173.68 2khs s LEU 36 N 1.40 4.39 0.47 -0.88 1.02 -1.08 -3.89 118.68 120.10 2khs s LEU 36 Ca -0.01 2.54 -0.23 0.00 0.02 0.00 0.00 54.13 56.46 2khs s LEU 36 Cb -0.18 -3.54 -0.07 0.00 0.02 0.00 0.00 46.19 42.41 2khs s LEU 36 CO 0.01 -0.98 1.18 -0.76 0.02 0.00 0.00 176.35 175.82 2khs s LEU 37 N 3.64 3.99 0.00 1.79 1.43 -0.60 -3.11 118.68 125.81 2khs s LEU 37 Ca 0.80 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 56.23 2khs s LEU 37 Cb -0.40 -4.26 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2khs s LEU 37 CO 0.36 -0.98 0.00 0.18 0.23 0.00 0.00 176.35 176.14 2khs n LEU 38 N -0.57 0.23 -4.17 1.79 4.77 -0.94 -4.83 117.00 113.28 2khs n LEU 38 Ca 0.08 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.74 2khs n LEU 38 Cb 0.48 -0.60 -0.17 0.00 -2.33 0.00 0.00 43.42 40.80 2khs n LEU 38 CO 0.48 -0.16 -0.54 -0.69 -1.33 0.00 0.00 177.39 175.14 2khs s VAL 39 N -2.66 2.03 -0.06 4.08 1.01 -1.18 -1.95 120.40 121.67 2khs s VAL 39 Ca 0.00 -0.97 0.05 0.00 0.00 0.00 0.00 61.98 61.07 2khs s VAL 39 Cb 0.00 -1.79 -0.01 0.00 0.00 0.00 0.00 36.38 34.58 2khs s VAL 39 CO 0.00 0.55 -0.22 -0.62 0.00 0.00 0.00 175.10 174.80 2khs s ASP 40 N 0.75 2.78 0.56 3.32 2.15 0.12 -4.65 116.67 121.70 2khs s ASP 40 Ca -0.09 -0.47 -0.18 0.00 0.43 0.00 0.00 52.55 52.25 2khs s ASP 40 Cb -0.16 -0.81 -0.05 0.00 -0.30 0.00 0.00 42.92 41.60 2khs s ASP 40 CO -0.00 0.21 1.07 -0.89 -0.17 0.00 0.00 175.17 175.39 2khs s THR 41 N -0.06 3.63 -0.21 1.71 2.01 -1.25 -1.21 115.64 120.26 2khs s THR 41 Ca -0.05 0.88 -0.41 0.00 0.31 0.00 0.00 61.69 62.43 2khs s THR 41 Cb -0.13 -3.36 -0.18 0.00 0.01 0.00 0.00 72.50 68.84 2khs s THR 41 CO 0.04 -0.35 1.52 -0.81 -0.69 0.00 0.00 174.62 174.33 2khs n PRO 42 N -1.62 0.71 -1.72 4.92 -0.04 -1.26 -4.80 135.00 131.19 2khs n PRO 42 Ca 0.10 0.26 -0.43 0.00 -0.04 0.00 0.00 63.50 63.39 2khs n PRO 42 Cb 0.52 -1.86 -0.02 0.00 -0.04 0.00 0.00 33.50 32.11 2khs n PRO 42 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2khs n GLU 43 N 3.85 2.41 -3.56 0.54 0.00 -1.26 -4.54 120.64 118.07 2khs n GLU 43 Ca 0.25 0.85 -0.41 0.00 0.00 0.00 0.00 57.16 57.85 2khs n GLU 43 Cb 0.09 -2.56 -0.10 0.00 0.00 0.00 0.00 31.44 28.87 2khs n GLU 43 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.13 177.05 2khs s THR 44 N -0.34 4.66 0.38 3.84 -1.32 -1.26 -3.90 115.64 117.69 2khs s THR 44 Ca 0.62 -0.98 0.30 0.00 -1.21 0.00 0.00 61.69 60.42 2khs s THR 44 Cb -0.55 -3.67 0.32 0.00 -1.51 0.00 0.00 72.50 67.08 2khs s THR 44 CO 0.53 -0.34 2.07 0.11 -2.21 0.00 0.00 174.62 174.78 2khs h LYS 45 N 8.49 0.00 -2.21 7.08 1.79 -1.93 -3.42 116.57 126.37 2khs h LYS 45 Ca -0.25 0.00 -0.07 0.00 -2.18 0.00 0.00 60.65 58.15 2khs h LYS 45 Cb 1.10 0.00 -0.21 0.00 -1.58 0.00 0.00 32.23 31.54 2khs h LYS 45 CO 0.72 0.10 0.06 -1.58 -1.08 0.00 0.00 179.45 177.67 2khs s HIS 46 N -4.09 -0.64 0.14 -1.35 2.46 -1.26 -5.09 115.29 105.47 2khs s HIS 46 Ca -0.02 1.40 -0.32 0.00 0.47 0.00 0.00 55.06 56.59 2khs s HIS 46 Cb 0.12 0.28 -0.18 0.00 -0.13 0.00 0.00 32.58 32.68 2khs s HIS 46 CO 0.57 -0.43 0.72 -2.30 -2.47 0.00 0.00 174.74 170.83 2khs n PRO 47 N 2.03 0.10 -0.98 2.88 -0.02 -1.26 -1.92 135.00 135.83 2khs n PRO 47 Ca -0.16 0.03 0.00 0.00 -2.02 0.00 0.00 63.50 61.35 2khs n PRO 47 Cb 0.56 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.83 2khs n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2khs n LYS 48 N 1.17 -0.02 -0.00 -0.52 4.76 -1.26 -4.86 118.16 117.42 2khs n LYS 48 Ca 0.18 0.01 0.11 0.00 -2.87 0.00 0.00 58.31 55.74 2khs n LYS 48 Cb 0.20 -2.72 -0.16 0.00 -1.84 0.00 0.00 35.03 30.52 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2khs n LYS 49 N -2.16 0.66 0.09 1.97 4.76 -0.81 -3.93 118.16 118.73 2khs n LYS 49 Ca 0.00 -0.18 -0.08 0.00 -2.87 0.00 0.00 58.31 55.18 2khs n LYS 49 Cb 0.01 -1.54 -0.04 0.00 -1.84 0.00 0.00 35.03 31.61 2khs n LYS 49 CO 0.00 0.00 0.00 0.78 -1.37 0.00 0.00 177.40 176.81 2khs h GLY 50 N 4.00 0.14 2.00 0.72 0.00 -1.75 -2.84 103.07 105.34 2khs h GLY 50 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 2khs h GLY 50 CO 0.00 0.25 -0.06 -0.24 0.00 0.00 0.00 176.54 176.50 2khs h VAL 51 N 0.06 0.14 0.00 4.60 3.04 -1.80 -2.07 116.25 120.22 2khs h VAL 51 Ca -0.04 -0.69 -0.08 0.00 -1.01 0.00 0.00 66.70 64.87 2khs h VAL 51 Cb 1.60 1.60 -0.01 0.00 -2.01 0.00 0.00 31.29 32.47 2khs h VAL 51 CO 0.14 0.05 -0.40 -0.08 -1.01 0.00 0.00 177.57 176.27 2khs h GLU 52 N 0.00 0.00 0.01 4.17 4.57 -1.62 -2.90 114.58 118.81 2khs h GLU 52 Ca -0.00 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2khs h GLU 52 Cb 0.60 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.19 2khs h GLU 52 CO 0.01 0.40 -0.00 0.87 -1.18 0.00 0.00 179.01 179.10 2khs h LYS 53 N 0.00 -0.01 0.00 1.92 1.57 -1.39 -3.45 116.57 115.21 2khs h LYS 53 Ca -0.00 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.72 2khs h LYS 53 Cb 0.80 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 2khs h LYS 53 CO 0.05 -0.01 -0.42 0.66 -0.57 0.00 0.00 179.45 179.16 2khs n TYR 54 N -2.34 0.00 0.43 -1.35 4.01 -1.19 -4.98 117.16 111.73 2khs n TYR 54 Ca -0.00 -0.19 -0.19 0.00 -0.16 0.00 0.00 57.90 57.36 2khs n TYR 54 Cb 0.00 0.12 -0.09 0.00 -0.31 0.00 0.00 39.34 39.06 2khs n TYR 54 CO 0.00 0.00 0.00 0.78 -0.46 0.00 0.00 176.86 177.18 2khs h GLY 55 N 0.20 -1.20 2.00 2.72 0.00 -1.55 -2.22 103.07 103.01 2khs h GLY 55 Ca -0.15 0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.65 2khs h GLY 55 CO -0.03 -0.43 -0.03 -2.55 0.00 0.00 0.00 176.54 173.50 2khs h PRO 56 N -1.12 0.00 -0.12 4.80 0.11 -1.93 -0.45 132.00 133.29 2khs h PRO 56 Ca -0.10 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 2khs h PRO 56 Cb 0.88 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 2khs h PRO 56 CO 0.14 0.03 -0.07 0.93 -0.21 0.00 0.00 178.00 178.81 2khs h GLU 57 N 0.00 0.26 -0.16 1.05 4.39 -1.86 -0.83 114.58 117.43 2khs h GLU 57 Ca -0.00 -0.12 -0.05 0.00 0.34 0.00 0.00 59.36 59.53 2khs h GLU 57 Cb 0.23 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 2khs h GLU 57 CO 0.00 0.62 -0.10 0.00 -1.16 0.00 0.00 179.01 178.37 2khs h ALA 58 N 0.63 0.22 -0.31 3.43 0.00 -0.75 -2.49 119.26 120.00 2khs h ALA 58 Ca 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2khs h ALA 58 Cb 0.55 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2khs h ALA 58 CO 0.02 0.06 0.02 0.66 0.00 0.00 0.00 179.25 180.01 2khs h SER 59 N 0.01 0.52 -0.87 0.00 4.64 -1.16 -1.15 113.55 115.53 2khs h SER 59 Ca 0.03 -0.29 -0.01 0.00 -0.47 0.00 0.00 61.79 61.04 2khs h SER 59 Cb 0.60 -0.14 -0.04 0.00 -0.31 0.00 0.00 62.40 62.51 2khs h SER 59 CO 0.03 0.68 0.49 0.00 -0.87 0.00 0.00 176.83 177.16 2khs h ALA 60 N 0.85 1.22 -0.37 5.18 0.00 -1.20 0.14 119.26 125.08 2khs h ALA 60 Ca 0.09 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2khs h ALA 60 Cb 0.41 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 2khs h ALA 60 CO 0.01 0.64 0.12 0.35 0.00 0.00 0.00 179.25 180.37 2khs h PHE 61 N 1.22 0.59 -0.17 0.00 3.57 -1.22 0.10 116.94 121.02 2khs h PHE 61 Ca 0.31 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.78 2khs h PHE 61 Cb 0.01 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.55 2khs h PHE 61 CO 0.01 0.56 -0.03 1.15 -2.23 0.00 0.00 178.31 177.77 2khs h THR 62 N 0.44 0.85 0.24 4.41 2.02 -0.58 -0.26 112.91 120.01 2khs h THR 62 Ca 0.12 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.30 2khs h THR 62 Cb 0.25 0.83 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2khs h THR 62 CO -0.00 0.00 -0.25 0.11 0.37 0.00 0.00 175.52 175.74 2khs h LYS 63 N 0.02 -0.51 -0.83 6.66 1.57 -0.40 -0.23 116.57 122.85 2khs h LYS 63 Ca 0.08 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 2khs h LYS 63 Cb 0.12 0.12 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 2khs h LYS 63 CO -0.16 -0.34 0.52 0.87 -0.57 0.00 0.00 179.45 179.76 2khs h LYS 64 N -0.53 0.93 -0.12 3.15 1.57 -0.59 0.15 116.57 121.13 2khs h LYS 64 Ca -0.00 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.62 2khs h LYS 64 Cb 0.50 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.60 2khs h LYS 64 CO -0.07 0.61 -0.34 1.98 -0.57 0.00 0.00 179.45 181.07 2khs h MET 65 N 0.96 0.44 -0.01 3.15 4.05 -0.76 -2.34 114.93 120.42 2khs h MET 65 Ca 0.36 -0.31 -0.16 0.00 -0.28 0.00 0.00 59.70 59.30 2khs h MET 65 Cb 0.13 0.05 -0.02 0.00 -0.80 0.00 0.00 31.60 30.97 2khs h MET 65 CO -0.16 0.93 -0.76 -0.39 0.23 0.00 0.00 176.91 176.76 2khs h VAL 66 N 0.02 1.51 -0.05 -5.77 -1.51 -0.74 -1.11 116.25 108.60 2khs h VAL 66 Ca -0.01 -2.51 -0.12 0.00 -1.23 0.00 0.00 66.70 62.82 2khs h VAL 66 Cb 0.96 2.36 -0.01 0.00 -2.13 0.00 0.00 31.29 32.47 2khs h VAL 66 CO 0.07 0.72 -0.53 -0.33 -1.23 0.00 0.00 177.57 176.27 2khs h GLU 67 N 0.04 0.14 0.00 5.19 4.39 -0.77 -2.81 114.58 120.76 2khs h GLU 67 Ca -0.02 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.60 2khs h GLU 67 Cb 1.34 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.00 2khs h GLU 67 CO 0.11 0.64 -0.28 -1.71 -1.16 0.00 0.00 179.01 176.60 2khs n ASN 68 N -3.92 0.60 -4.73 1.42 4.05 -0.88 -4.83 115.26 106.98 2khs n ASN 68 Ca -0.02 0.30 -0.42 0.00 0.45 0.00 0.00 54.58 54.90 2khs n ASN 68 Cb 0.56 -0.28 -0.03 0.00 1.23 0.00 0.00 39.78 41.26 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2khs s ALA 69 N -3.09 3.58 0.05 5.20 0.00 -0.44 -4.91 121.76 122.15 2khs s ALA 69 Ca 0.10 1.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 2khs s ALA 69 Cb 0.14 -3.52 -0.32 0.00 0.00 0.00 0.00 23.12 19.43 2khs s ALA 69 CO 0.64 -0.61 1.07 0.87 0.00 0.00 0.00 175.76 177.74 2khs h LYS 70 N 5.99 0.47 -4.98 0.00 1.57 -1.88 -3.45 116.57 114.30 2khs h LYS 70 Ca -0.44 -0.76 -0.34 0.00 -1.87 0.00 0.00 60.65 57.24 2khs h LYS 70 Cb 1.21 0.28 -0.21 0.00 0.08 0.00 0.00 32.23 33.59 2khs h LYS 70 CO 0.82 1.36 -0.76 0.15 -0.57 0.00 0.00 179.45 180.45 2khs s LYS 71 N -2.70 0.69 -0.10 3.15 1.02 -1.26 -4.98 119.74 115.56 2khs s LYS 71 Ca -0.07 -0.89 0.04 0.00 0.02 0.00 0.00 55.97 55.07 2khs s LYS 71 Cb 0.05 -0.57 -0.00 0.00 -0.52 0.00 0.00 37.83 36.79 2khs s LYS 71 CO 0.92 0.12 -0.22 0.42 -0.92 0.00 0.00 175.35 175.67 2khs s ILE 72 N -1.42 2.21 -0.12 2.17 1.01 -1.25 0.35 121.20 124.15 2khs s ILE 72 Ca -0.05 -0.97 -0.01 0.00 0.00 0.00 0.00 60.65 59.62 2khs s ILE 72 Cb -0.09 -1.85 -0.02 0.00 0.01 0.00 0.00 42.46 40.50 2khs s ILE 72 CO 0.01 0.56 -0.08 -1.61 0.00 0.00 0.00 174.94 173.81 2khs s GLU 73 N 0.27 3.27 -0.19 2.79 0.41 -0.30 -0.78 118.70 124.17 2khs s GLU 73 Ca -0.16 -0.60 -0.03 0.00 -0.41 0.00 0.00 54.97 53.78 2khs s GLU 73 Cb -0.17 -2.70 -0.01 0.00 -1.78 0.00 0.00 34.13 29.47 2khs s GLU 73 CO 0.08 0.36 -0.07 0.14 -0.49 0.00 0.00 175.26 175.28 2khs s VAL 74 N -0.01 3.27 -0.13 2.63 -7.23 0.11 -0.57 120.40 118.47 2khs s VAL 74 Ca -0.01 -0.54 -0.04 0.00 -1.81 0.00 0.00 61.98 59.57 2khs s VAL 74 Cb -0.14 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.32 2khs s VAL 74 CO 0.03 0.46 0.01 -0.70 -0.31 0.00 0.00 175.10 174.59 2khs s GLU 75 N 1.15 3.40 -0.30 4.82 2.12 -0.19 -0.31 118.70 129.39 2khs s GLU 75 Ca 0.02 -0.41 -0.29 0.00 0.36 0.00 0.00 54.97 54.64 2khs s GLU 75 Cb -0.14 -2.93 0.01 0.00 0.26 0.00 0.00 34.13 31.33 2khs s GLU 75 CO -0.02 0.49 1.12 0.12 -0.54 0.00 0.00 175.26 176.43 2khs s PHE 76 N -0.29 3.08 0.35 5.30 5.36 -0.12 -1.36 117.98 130.29 2khs s PHE 76 Ca 0.07 1.15 0.03 0.00 -0.96 0.00 0.00 56.93 57.22 2khs s PHE 76 Cb -0.12 -3.69 0.06 0.00 -0.34 0.00 0.00 43.02 38.93 2khs s PHE 76 CO 0.02 -0.94 0.48 -3.47 -1.46 0.00 0.00 175.22 169.84 2khs n ASP 77 N 6.94 0.96 0.00 6.13 2.03 -1.26 -4.27 116.55 127.07 2khs n ASP 77 Ca 0.12 -1.74 0.09 0.00 0.52 0.00 0.00 54.79 53.79 2khs n ASP 77 Cb 0.47 -0.28 0.42 0.00 -0.72 0.00 0.00 41.12 41.01 2khs n ASP 77 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2khs n LYS 78 N -1.81 0.04 0.00 -0.67 3.00 -1.26 -4.40 118.16 113.06 2khs n LYS 78 Ca 0.09 0.16 0.00 0.00 -0.00 0.00 0.00 58.31 58.56 2khs n LYS 78 Cb 0.32 -1.50 0.00 0.00 0.00 0.00 0.00 35.03 33.85 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2khs n GLY 79 N 0.45 1.48 3.47 3.14 0.00 -1.26 -5.09 105.19 107.38 2khs n GLY 79 Ca 0.05 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.84 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 0.12 1.79 -0.16 1.61 -0.21 -1.26 -5.05 119.66 116.51 2khs s GLN 80 Ca 0.00 -2.06 0.11 0.00 0.02 0.00 0.00 55.36 53.43 2khs s GLN 80 Cb 0.00 -0.62 -0.23 0.00 1.00 0.00 0.00 33.01 33.16 2khs s GLN 80 CO 0.00 -0.39 0.22 -2.13 -2.12 0.00 0.00 175.29 170.88 2khs n ARG 81 N -0.80 0.67 -4.07 2.91 0.63 -1.26 -4.53 116.66 110.22 2khs n ARG 81 Ca -0.04 0.13 -0.14 0.00 -0.92 0.00 0.00 57.85 56.88 2khs n ARG 81 Cb 0.65 -1.62 -0.14 0.00 0.45 0.00 0.00 32.46 31.81 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 -2.53 0.33 -0.11 5.15 -4.23 -1.26 -0.22 115.64 112.76 2khs s THR 82 Ca -0.14 -0.37 -0.06 0.00 -1.18 0.00 0.00 61.69 59.94 2khs s THR 82 Cb 0.07 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 2khs s THR 82 CO 0.78 -0.03 0.13 -0.62 -0.54 0.00 0.00 174.62 174.34 2khs s ASP 83 N -0.43 6.26 0.59 3.99 2.15 0.18 -4.87 116.67 124.54 2khs s ASP 83 Ca -0.02 0.42 0.30 0.00 0.43 0.00 0.00 52.55 53.69 2khs s ASP 83 Cb -0.03 -2.00 1.21 0.00 -0.30 0.00 0.00 42.92 41.80 2khs s ASP 83 CO -0.00 0.39 1.54 0.07 -0.17 0.00 0.00 175.17 177.00 2khs h LYS 84 N 4.89 0.00 0.00 4.34 2.10 -2.01 0.11 116.57 126.00 2khs h LYS 84 Ca -0.54 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.11 2khs h LYS 84 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2khs h LYS 84 CO 0.59 0.00 0.00 -0.92 -2.00 0.00 0.00 179.45 177.12 2khs h TYR 85 N 0.00 0.00 0.00 0.07 3.20 -2.03 -3.46 116.97 114.74 2khs h TYR 85 Ca 0.45 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.32 2khs h TYR 85 Cb 2.43 0.00 0.00 0.00 1.54 0.00 0.00 36.73 40.70 2khs h TYR 85 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 2khs n GLY 86 N 1.25 0.78 3.15 1.82 0.00 0.36 -5.12 105.19 107.42 2khs n GLY 86 Ca 0.05 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.86 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 0.43 1.05 0.10 1.61 1.81 -1.04 -4.41 118.95 118.50 2khs s ARG 87 Ca 0.00 -0.72 -0.18 0.00 -1.72 0.00 0.00 55.73 53.10 2khs s ARG 87 Cb 0.00 -1.06 -0.07 0.00 -0.45 0.00 0.00 34.95 33.37 2khs s ARG 87 CO 0.00 0.27 0.58 0.20 -0.68 0.00 0.00 175.30 175.67 2khs s GLY 88 N -0.95 2.62 -0.28 -3.53 0.00 0.14 0.51 107.32 105.83 2khs s GLY 88 Ca 0.03 0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.78 2khs s GLY 88 CO 0.01 0.39 -0.01 1.08 0.00 0.00 0.00 173.10 174.57 2khs s LEU 89 N -1.39 3.21 0.19 0.66 1.43 0.69 -0.20 118.68 123.28 2khs s LEU 89 Ca 0.32 -1.53 -0.19 0.00 -1.03 0.00 0.00 54.13 51.70 2khs s LEU 89 Cb -0.18 -1.30 0.03 0.00 0.03 0.00 0.00 46.19 44.77 2khs s LEU 89 CO 0.19 -0.30 0.54 0.00 0.23 0.00 0.00 176.35 177.02 2khs s ALA 90 N 1.26 -1.06 -0.08 4.21 0.00 -1.25 -4.07 121.76 120.77 2khs s ALA 90 Ca 0.01 -0.12 -0.21 0.00 0.00 0.00 0.00 51.96 51.64 2khs s ALA 90 Cb -0.19 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.74 2khs s ALA 90 CO -0.09 -0.81 0.59 -0.47 0.00 0.00 0.00 175.76 174.97 2khs s TYR 91 N -3.86 3.57 -0.25 0.00 6.14 -0.46 -1.56 117.35 120.93 2khs s TYR 91 Ca 0.08 1.09 -0.11 0.00 0.64 0.00 0.00 57.07 58.77 2khs s TYR 91 Cb -0.01 -2.66 -0.05 0.00 0.42 0.00 0.00 41.96 39.65 2khs s TYR 91 CO -0.04 0.16 0.17 0.42 0.64 0.00 0.00 175.55 176.90 2khs s ILE 92 N 0.57 5.35 0.04 3.14 -1.09 -1.26 -1.03 121.20 126.92 2khs s ILE 92 Ca 0.32 0.18 0.06 0.00 -2.23 0.00 0.00 60.65 58.97 2khs s ILE 92 Cb -0.17 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.17 2khs s ILE 92 CO 0.15 0.32 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.74 2khs s TYR 93 N 1.21 2.69 -0.48 3.97 1.51 0.26 -1.76 117.35 124.75 2khs s TYR 93 Ca 0.07 -0.17 -0.11 0.00 -1.01 0.00 0.00 57.07 55.86 2khs s TYR 93 Cb -0.14 -1.50 0.12 0.00 -0.11 0.00 0.00 41.96 40.32 2khs s TYR 93 CO 0.06 0.32 0.38 0.00 -1.11 0.00 0.00 175.55 175.19 2khs s ALA 94 N -1.00 3.45 -1.71 3.71 0.00 0.20 -1.15 121.76 125.26 2khs s ALA 94 Ca 0.17 -2.51 -0.16 0.00 0.00 0.00 0.00 51.96 49.46 2khs s ALA 94 Cb -0.11 -2.92 0.15 0.00 0.00 0.00 0.00 23.12 20.24 2khs s ALA 94 CO 0.07 -1.91 0.58 -0.40 0.00 0.00 0.00 175.76 174.10 2khs n ASP 95 N 4.99 -1.93 0.00 0.00 5.75 0.15 -0.70 116.55 124.81 2khs n ASP 95 Ca -0.09 -1.12 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2khs n ASP 95 Cb 0.41 -2.26 0.00 0.00 -1.03 0.00 0.00 41.12 38.24 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2khs n GLY 96 N -1.51 2.53 3.76 6.12 0.00 -1.26 -4.95 105.19 109.88 2khs n GLY 96 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.69 4.08 -0.36 1.61 1.02 0.13 -5.03 119.74 120.51 2khs s LYS 97 Ca 0.00 -0.03 -0.29 0.00 0.02 0.00 0.00 55.97 55.67 2khs s LYS 97 Cb 0.00 -3.37 -0.01 0.00 -0.52 0.00 0.00 37.83 33.93 2khs s LYS 97 CO 0.00 0.38 1.66 -1.64 -0.92 0.00 0.00 175.35 174.83 2khs s MET 98 N 0.09 3.43 0.04 1.68 -1.94 -1.26 0.62 119.30 121.96 2khs s MET 98 Ca 0.14 1.27 -0.18 0.00 -1.71 0.00 0.00 55.69 55.20 2khs s MET 98 Cb -0.12 -4.14 -0.18 0.00 2.01 0.00 0.00 34.83 32.40 2khs s MET 98 CO 0.02 -1.75 1.22 0.28 -0.01 0.00 0.00 175.02 174.79 2khs h VAL 99 N 6.69 1.37 -0.47 -6.03 2.07 -1.69 -2.94 116.25 115.25 2khs h VAL 99 Ca -0.32 -1.82 -0.00 0.00 0.82 0.00 0.00 66.70 65.38 2khs h VAL 99 Cb 1.15 2.21 -0.02 0.00 -1.52 0.00 0.00 31.29 33.11 2khs h VAL 99 CO 1.05 0.54 0.29 0.78 0.02 0.00 0.00 177.57 180.25 2khs h ASN 100 N 0.09 0.56 -0.69 0.57 -0.26 -1.90 -0.84 115.58 113.11 2khs h ASN 100 Ca -0.03 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.64 2khs h ASN 100 Cb 1.13 -0.14 -0.03 0.00 -1.06 0.00 0.00 38.32 38.22 2khs h ASN 100 CO 0.10 0.44 0.35 -0.08 -1.06 0.00 0.00 177.43 177.18 2khs h GLU 101 N 0.63 1.01 -0.22 0.81 4.81 -1.90 -2.68 114.58 117.03 2khs h GLU 101 Ca 0.17 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2khs h GLU 101 Cb -0.02 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2khs h GLU 101 CO -0.03 0.77 0.03 0.00 -0.73 0.00 0.00 179.01 179.05 2khs h ALA 102 N 1.38 0.30 -0.41 2.92 0.00 -1.12 -1.97 119.26 120.36 2khs h ALA 102 Ca 0.25 -0.18 0.07 0.00 0.00 0.00 0.00 54.91 55.05 2khs h ALA 102 Cb 0.08 -0.08 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 2khs h ALA 102 CO -0.03 -0.02 0.01 -0.07 0.00 0.00 0.00 179.25 179.14 2khs h LEU 103 N 0.17 -0.14 -0.50 0.00 3.38 -0.87 0.71 115.31 118.05 2khs h LEU 103 Ca 0.07 0.09 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2khs h LEU 103 Cb 0.33 0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2khs h LEU 103 CO 0.01 -0.03 -0.51 -0.37 0.09 0.00 0.00 178.44 177.62 2khs h VAL 104 N 0.12 1.31 0.00 1.22 -1.51 -1.48 -1.28 116.25 114.63 2khs h VAL 104 Ca 0.20 -1.73 -0.02 0.00 -1.23 0.00 0.00 66.70 63.92 2khs h VAL 104 Cb 0.29 1.68 -0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2khs h VAL 104 CO -0.33 0.55 -0.11 -0.09 -1.23 0.00 0.00 177.57 176.36 2khs h ARG 105 N 0.50 0.00 -0.01 5.19 2.43 -0.68 -1.80 114.38 120.01 2khs h ARG 105 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2khs h ARG 105 Cb 1.06 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.61 2khs h ARG 105 CO 0.10 0.11 -0.10 1.04 -1.51 0.00 0.00 179.97 179.61 2khs n GLN 106 N -3.22 1.10 -2.09 0.20 1.13 0.18 -4.90 117.38 109.77 2khs n GLN 106 Ca 0.01 -0.53 -0.11 0.00 -1.94 0.00 0.00 57.00 54.43 2khs n GLN 106 Cb 0.40 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.25 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 1.23 0.09 0.02 1.08 0.00 -0.67 -4.90 105.19 102.05 2khs n GLY 107 Ca 0.16 -0.45 0.11 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.51 0.62 -3.93 0.99 4.77 -0.50 -4.96 117.00 112.49 2khs n LEU 108 Ca -0.13 -0.08 -0.09 0.00 -0.03 0.00 0.00 56.01 55.68 2khs n LEU 108 Cb 0.57 -0.09 -0.06 0.00 -2.33 0.00 0.00 43.42 41.51 2khs n LEU 108 CO 0.15 0.07 0.13 0.00 -1.33 0.00 0.00 177.39 176.42 2khs s ALA 109 N -3.18 -0.30 0.15 -1.18 0.00 -1.18 -4.36 121.76 111.72 2khs s ALA 109 Ca 0.04 -0.75 0.08 0.00 0.00 0.00 0.00 51.96 51.33 2khs s ALA 109 Cb 0.15 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.19 2khs s ALA 109 CO 0.81 -0.78 -0.06 0.15 0.00 0.00 0.00 175.76 175.88 2khs s LYS 110 N -3.97 2.21 -0.07 0.00 1.02 -0.35 -4.48 119.74 114.11 2khs s LYS 110 Ca 0.18 -1.13 -0.30 0.00 0.02 0.00 0.00 55.97 54.74 2khs s LYS 110 Cb 0.01 -2.28 -0.03 0.00 -0.52 0.00 0.00 37.83 35.01 2khs s LYS 110 CO 0.04 0.47 1.14 0.54 -0.92 0.00 0.00 175.35 176.61 2khs s VAL 111 N -1.57 4.42 -0.07 3.17 0.11 -1.26 0.11 120.40 125.31 2khs s VAL 111 Ca 0.25 1.73 -0.01 0.00 -2.93 0.00 0.00 61.98 61.02 2khs s VAL 111 Cb -0.10 -4.11 0.03 0.00 -1.53 0.00 0.00 36.38 30.67 2khs s VAL 111 CO 0.16 0.01 -0.01 0.00 -3.33 0.00 0.00 175.10 171.93 2khs s ALA 112 N 2.09 0.77 -0.38 1.54 0.00 -0.82 -4.82 121.76 120.13 2khs s ALA 112 Ca 0.54 -0.17 0.02 0.00 0.00 0.00 0.00 51.96 52.35 2khs s ALA 112 Cb -0.23 -0.74 0.11 0.00 0.00 0.00 0.00 23.12 22.26 2khs s ALA 112 CO 0.21 -0.42 0.12 1.52 0.00 0.00 0.00 175.76 177.19 2khs s TYR 113 N 1.85 3.66 -0.28 0.00 -0.85 -1.26 -2.21 117.35 118.26 2khs s TYR 113 Ca 0.04 -2.90 0.01 0.00 -0.52 0.00 0.00 57.07 53.70 2khs s TYR 113 Cb -0.12 -2.99 0.08 0.00 0.38 0.00 0.00 41.96 39.31 2khs s TYR 113 CO -0.05 -0.93 0.02 0.08 -1.52 0.00 0.00 175.55 173.15 2khs s VAL 114 N 0.79 1.45 -0.43 -3.49 1.01 -1.26 -4.83 120.40 113.64 2khs s VAL 114 Ca 0.11 -1.48 0.04 0.00 0.00 0.00 0.00 61.98 60.66 2khs s VAL 114 Cb -0.21 -1.91 0.28 0.00 0.00 0.00 0.00 36.38 34.55 2khs s VAL 114 CO -0.06 -0.38 1.10 0.00 0.00 0.00 0.00 175.10 175.76 2khs n TYR 115 N 4.65 -2.31 -3.03 5.22 9.36 -1.26 -5.07 117.16 124.73 2khs n TYR 115 Ca -0.06 -1.55 -0.42 0.00 3.32 0.00 0.00 57.90 59.19 2khs n TYR 115 Cb 0.43 1.46 -0.06 0.00 -0.63 0.00 0.00 39.34 40.54 2khs n TYR 115 CO 0.00 0.00 0.00 0.21 0.22 0.00 0.00 176.86 177.29 2khs s LYS 116 N 0.37 3.62 -0.11 2.98 2.47 -1.26 -4.91 119.74 122.90 2khs s LYS 116 Ca 0.26 0.08 0.06 0.00 -1.56 0.00 0.00 55.97 54.81 2khs s LYS 116 Cb 0.25 -3.85 0.35 0.00 -1.46 0.00 0.00 37.83 33.13 2khs s LYS 116 CO -0.15 -0.88 1.05 -0.35 0.16 0.00 0.00 175.35 175.18 2khs n PRO 117 N 6.33 2.64 0.00 4.03 -0.04 -1.26 -4.96 135.00 141.74 2khs n PRO 117 Ca 0.01 -1.35 0.00 0.00 -0.04 0.00 0.00 63.50 62.12 2khs n PRO 117 Cb 0.48 -1.82 0.00 0.00 -0.04 0.00 0.00 33.50 32.12 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 0.25 0.00 -0.66 3.54 5.15 -1.26 -1.54 115.26 120.74 2khs n ASN 118 Ca 0.12 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.22 2khs n ASN 118 Cb 0.67 0.00 0.11 0.00 -0.53 0.00 0.00 39.78 40.03 2khs n ASN 118 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 2khs n ASN 119 N 3.02 2.30 0.00 1.20 5.15 -1.26 -4.97 115.26 120.70 2khs n ASN 119 Ca 0.00 -1.66 0.00 0.00 -0.60 0.00 0.00 54.58 52.32 2khs n ASN 119 Cb 0.00 0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.48 2khs n ASN 119 CO 0.00 0.00 0.00 0.41 1.40 0.00 0.00 177.26 179.07 2khs n THR 120 N 0.49 0.00 -1.71 -0.44 -1.04 -0.59 -5.29 114.28 105.71 2khs n THR 120 Ca 0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.13 2khs n THR 120 Cb 0.50 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.01 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00