#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 3.96 -1.30 0.00 2.01 -1.26 -4.93 115.64 114.12 2khs s THR 2 Ca 0.00 0.69 -0.14 0.00 0.31 0.00 0.00 61.69 62.55 2khs s THR 2 Cb 0.00 -4.77 0.11 0.00 0.01 0.00 0.00 72.50 67.85 2khs s THR 2 CO 0.00 -1.48 1.77 -1.20 -0.69 0.00 0.00 174.62 173.03 2khs n SER 3 N 8.63 4.84 -2.79 3.53 7.64 -1.26 -4.54 113.62 129.66 2khs n SER 3 Ca 0.06 -2.96 -0.09 0.00 1.01 0.00 0.00 58.87 56.90 2khs n SER 3 Cb 0.49 -1.63 0.03 0.00 -1.01 0.00 0.00 64.21 62.09 2khs n SER 3 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2khs n THR 4 N 5.07 -0.07 -0.90 0.44 5.66 -1.26 -4.91 114.28 118.32 2khs n THR 4 Ca 0.44 -1.64 0.08 0.00 -3.05 0.00 0.00 64.05 59.88 2khs n THR 4 Cb 0.42 1.14 0.31 0.00 -1.55 0.00 0.00 70.33 70.64 2khs n THR 4 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2khs n LYS 5 N 1.82 3.58 -3.59 1.09 4.76 -1.26 -4.87 118.16 119.69 2khs n LYS 5 Ca 0.11 -2.91 -0.11 0.00 -2.87 0.00 0.00 58.31 52.54 2khs n LYS 5 Cb 0.61 -1.95 -0.04 0.00 -1.84 0.00 0.00 35.03 31.81 2khs n LYS 5 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2khs s LYS 6 N -2.65 1.10 0.57 1.97 2.47 -1.26 -5.18 119.74 116.76 2khs s LYS 6 Ca 0.46 -0.63 0.04 0.00 -1.56 0.00 0.00 55.97 54.28 2khs s LYS 6 Cb 0.35 0.49 0.06 0.00 -1.46 0.00 0.00 37.83 37.27 2khs s LYS 6 CO 0.12 -0.44 0.79 -0.51 0.16 0.00 0.00 175.35 175.47 2khs s LEU 7 N -2.72 3.25 -0.63 5.43 1.43 -1.26 -5.02 118.68 119.16 2khs s LEU 7 Ca 0.02 -0.34 -0.28 0.00 -1.03 0.00 0.00 54.13 52.50 2khs s LEU 7 Cb 0.01 -2.38 0.03 0.00 0.03 0.00 0.00 46.19 43.88 2khs s LEU 7 CO -0.11 -1.28 1.26 -1.00 0.23 0.00 0.00 176.35 175.45 2khs s HIS 8 N -2.75 2.44 -0.20 0.29 3.76 -1.24 -4.94 115.29 112.65 2khs s HIS 8 Ca 0.60 0.29 -0.07 0.00 -0.15 0.00 0.00 55.06 55.73 2khs s HIS 8 Cb -0.08 -4.53 -0.04 0.00 1.11 0.00 0.00 32.58 29.04 2khs s HIS 8 CO 0.39 -1.81 0.05 0.21 -0.85 0.00 0.00 174.74 172.73 2khs s LYS 9 N 5.31 3.84 0.10 1.40 2.20 -1.26 -0.50 119.74 130.83 2khs s LYS 9 Ca 0.42 -0.41 0.07 0.00 -0.36 0.00 0.00 55.97 55.70 2khs s LYS 9 Cb -0.08 -3.20 -0.04 0.00 -1.51 0.00 0.00 37.83 33.00 2khs s LYS 9 CO 0.22 0.14 -0.13 -1.21 -0.36 0.00 0.00 175.35 174.01 2khs s GLU 10 N 0.73 2.04 0.26 4.03 0.41 0.10 -4.94 118.70 121.33 2khs s GLU 10 Ca 0.03 -1.05 -0.29 0.00 -0.41 0.00 0.00 54.97 53.25 2khs s GLU 10 Cb -0.14 -2.25 -0.09 0.00 -1.78 0.00 0.00 34.13 29.87 2khs s GLU 10 CO 0.02 0.51 0.93 -2.14 -0.49 0.00 0.00 175.26 174.09 2khs s PRO 11 N -2.10 4.78 0.07 0.39 0.02 -1.26 -0.36 135.00 136.55 2khs s PRO 11 Ca 0.20 1.44 0.02 0.00 0.02 0.00 0.00 61.00 62.67 2khs s PRO 11 Cb -0.11 -3.16 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 2khs s PRO 11 CO 0.12 0.46 -0.07 0.00 -0.33 0.00 0.00 177.00 177.18 2khs s ALA 12 N -1.29 0.78 -0.05 -1.55 0.00 0.68 -4.00 121.76 116.33 2khs s ALA 12 Ca 0.43 -1.10 0.02 0.00 0.00 0.00 0.00 51.96 51.31 2khs s ALA 12 Cb -0.24 0.12 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2khs s ALA 12 CO 0.30 -0.16 -0.10 0.99 0.00 0.00 0.00 175.76 176.79 2khs s THR 13 N -2.74 3.46 -0.12 0.00 2.01 0.82 -3.16 115.64 115.90 2khs s THR 13 Ca 0.03 -0.62 -0.27 0.00 0.31 0.00 0.00 61.69 61.14 2khs s THR 13 Cb -0.01 -2.41 -0.02 0.00 0.01 0.00 0.00 72.50 70.07 2khs s THR 13 CO -0.03 0.56 0.87 -0.22 -0.69 0.00 0.00 174.62 175.11 2khs s LEU 14 N -0.89 4.23 -0.18 4.42 2.96 -1.26 0.62 118.68 128.57 2khs s LEU 14 Ca 0.13 1.31 -0.18 0.00 -0.22 0.00 0.00 54.13 55.17 2khs s LEU 14 Cb -0.11 -3.33 -0.14 0.00 0.50 0.00 0.00 46.19 43.11 2khs s LEU 14 CO 0.02 -0.36 0.12 0.40 -1.32 0.00 0.00 176.35 175.21 2khs h ILE 15 N 5.08 0.66 -1.78 6.68 1.08 -0.89 -3.47 117.51 124.87 2khs h ILE 15 Ca -0.32 -1.81 0.01 0.00 -0.39 0.00 0.00 64.86 62.35 2khs h ILE 15 Cb 1.15 1.57 -0.22 0.00 -3.07 0.00 0.00 36.82 36.25 2khs h ILE 15 CO 0.82 0.23 0.34 -1.59 -0.69 0.00 0.00 178.15 177.26 2khs s LYS 16 N -2.30 0.76 -0.26 2.37 -2.85 -1.14 -5.02 119.74 111.31 2khs s LYS 16 Ca -0.23 0.44 -0.08 0.00 -1.00 0.00 0.00 55.97 55.10 2khs s LYS 16 Cb 0.04 0.36 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 2khs s LYS 16 CO 0.47 -0.18 0.08 0.00 0.10 0.00 0.00 175.35 175.82 2khs s ALA 17 N -0.55 3.17 -0.17 0.59 0.00 -1.26 -0.03 121.76 123.52 2khs s ALA 17 Ca -0.03 -1.16 -0.14 0.00 0.00 0.00 0.00 51.96 50.62 2khs s ALA 17 Cb -0.02 -2.11 -0.10 0.00 0.00 0.00 0.00 23.12 20.89 2khs s ALA 17 CO 0.02 -0.54 -0.03 -0.89 0.00 0.00 0.00 175.76 174.32 2khs n ILE 18 N 4.93 1.47 -3.66 0.00 2.08 -0.13 -5.00 119.36 119.05 2khs n ILE 18 Ca -0.16 0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.25 2khs n ILE 18 Cb 0.51 -2.24 0.00 0.00 -0.75 0.00 0.00 39.64 37.16 2khs n ILE 18 CO 0.00 0.00 0.00 0.47 0.56 0.00 0.00 176.55 177.58 2khs n ASP 19 N -4.53 1.42 0.06 4.38 8.00 -0.03 -4.98 116.55 120.87 2khs n ASP 19 Ca -0.19 -0.66 0.13 0.00 0.71 0.00 0.00 54.79 54.78 2khs n ASP 19 Cb 0.45 0.00 0.30 0.00 -0.02 0.00 0.00 41.12 41.86 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 3.54 -1.49 0.18 0.44 0.00 -1.26 -4.17 105.19 102.43 2khs n GLY 20 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.64 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 -2.00 1.86 -4.56 1.61 2.03 -1.26 -4.84 116.55 109.39 2khs n ASP 21 Ca 0.05 0.32 -0.42 0.00 0.52 0.00 0.00 54.79 55.25 2khs n ASP 21 Cb 0.41 -0.75 -0.03 0.00 -0.72 0.00 0.00 41.12 40.03 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 -2.63 4.15 -0.03 5.18 2.01 -1.26 -2.83 115.64 120.24 2khs s THR 22 Ca -0.33 0.64 0.04 0.00 0.31 0.00 0.00 61.69 62.35 2khs s THR 22 Cb 0.10 -4.66 -0.00 0.00 0.01 0.00 0.00 72.50 67.94 2khs s THR 22 CO 0.44 -1.27 -0.13 0.68 -0.69 0.00 0.00 174.62 173.64 2khs s VAL 23 N 4.58 1.09 -0.29 3.82 -7.23 0.14 -0.85 120.40 121.67 2khs s VAL 23 Ca 0.38 -0.55 -0.11 0.00 -1.81 0.00 0.00 61.98 59.89 2khs s VAL 23 Cb -0.09 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.87 2khs s VAL 23 CO 0.23 0.32 0.18 -0.75 -0.31 0.00 0.00 175.10 174.76 2khs s LYS 24 N -0.05 3.81 0.07 4.82 2.20 0.96 0.28 119.74 131.82 2khs s LYS 24 Ca -0.00 -0.41 0.08 0.00 -0.36 0.00 0.00 55.97 55.27 2khs s LYS 24 Cb -0.08 -3.62 -0.03 0.00 -1.51 0.00 0.00 37.83 32.58 2khs s LYS 24 CO 0.01 -0.23 -0.18 -0.51 -0.36 0.00 0.00 175.35 174.07 2khs s LEU 25 N 1.72 2.63 -0.37 5.43 2.01 0.24 -0.16 118.68 130.18 2khs s LEU 25 Ca 0.07 -0.47 -0.09 0.00 0.01 0.00 0.00 54.13 53.65 2khs s LEU 25 Cb -0.16 -1.52 0.05 0.00 0.01 0.00 0.00 46.19 44.56 2khs s LEU 25 CO 0.10 0.23 0.18 -0.32 1.01 0.00 0.00 176.35 177.55 2khs s MET 26 N -1.67 2.68 -0.23 1.70 -2.45 0.20 0.11 119.30 119.64 2khs s MET 26 Ca 0.16 -1.22 -0.01 0.00 -1.25 0.00 0.00 55.69 53.36 2khs s MET 26 Cb -0.11 -3.64 0.02 0.00 1.25 0.00 0.00 34.83 32.35 2khs s MET 26 CO 0.07 -0.76 -0.08 1.52 1.05 0.00 0.00 175.02 176.82 2khs s TYR 27 N 1.46 3.00 -1.54 4.11 1.13 0.09 -0.13 117.35 125.47 2khs s TYR 27 Ca 0.01 -1.47 -0.03 0.00 -1.41 0.00 0.00 57.07 54.17 2khs s TYR 27 Cb -0.20 -2.04 0.01 0.00 -1.10 0.00 0.00 41.96 38.63 2khs s TYR 27 CO 0.04 -0.71 0.29 1.63 -2.51 0.00 0.00 175.55 174.29 2khs n LYS 28 N 4.68 -3.20 -0.25 -3.49 5.02 -1.26 -0.93 118.16 118.73 2khs n LYS 28 Ca -0.18 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 56.97 2khs n LYS 28 Cb 0.48 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.90 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 -1.20 0.72 3.24 0.72 0.00 -1.26 -5.05 105.19 102.36 2khs n GLY 29 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.75 2.53 -0.86 1.61 -0.21 -0.11 -5.03 119.66 116.83 2khs s GLN 30 Ca 0.00 -1.53 -0.25 0.00 0.02 0.00 0.00 55.36 53.60 2khs s GLN 30 Cb 0.00 -3.77 0.05 0.00 1.00 0.00 0.00 33.01 30.29 2khs s GLN 30 CO 0.00 -0.99 1.33 -1.25 -2.12 0.00 0.00 175.29 172.26 2khs s PRO 31 N 1.38 3.38 0.06 2.91 0.05 -1.26 -0.73 135.00 140.79 2khs s PRO 31 Ca 0.04 -0.72 0.10 0.00 0.05 0.00 0.00 61.00 60.46 2khs s PRO 31 Cb -0.23 -4.72 -0.03 0.00 0.05 0.00 0.00 34.50 29.56 2khs s PRO 31 CO 0.01 -2.14 -0.26 -1.64 0.05 0.00 0.00 177.00 173.02 2khs s MET 32 N 5.19 1.74 -0.27 4.56 -1.94 0.12 -4.93 119.30 123.76 2khs s MET 32 Ca 0.39 -1.15 -0.23 0.00 -1.71 0.00 0.00 55.69 52.99 2khs s MET 32 Cb -0.05 -1.98 -0.01 0.00 2.01 0.00 0.00 34.83 34.81 2khs s MET 32 CO 0.03 0.50 0.78 0.99 -0.01 0.00 0.00 175.02 177.31 2khs s THR 33 N -0.86 4.84 0.29 2.05 2.01 -1.26 -0.59 115.64 122.12 2khs s THR 33 Ca 0.12 1.32 0.08 0.00 0.31 0.00 0.00 61.69 63.53 2khs s THR 33 Cb -0.10 -4.10 -0.04 0.00 0.01 0.00 0.00 72.50 68.28 2khs s THR 33 CO 0.03 -0.13 0.15 -0.36 -0.69 0.00 0.00 174.62 173.61 2khs s PHE 34 N 2.83 2.87 0.01 4.92 0.40 0.14 0.26 117.98 129.41 2khs s PHE 34 Ca 0.32 -0.24 0.03 0.00 -0.60 0.00 0.00 56.93 56.44 2khs s PHE 34 Cb -0.15 -1.47 -0.01 0.00 0.51 0.00 0.00 43.02 41.90 2khs s PHE 34 CO 0.10 0.45 -0.09 1.03 0.70 0.00 0.00 175.22 177.40 2khs s ARG 35 N -3.82 0.71 0.01 0.44 0.52 0.79 -0.68 118.95 116.91 2khs s ARG 35 Ca 0.35 -0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 54.80 2khs s ARG 35 Cb -0.06 -0.66 -0.08 0.00 0.52 0.00 0.00 34.95 34.67 2khs s ARG 35 CO 0.23 0.17 1.92 -0.51 0.02 0.00 0.00 175.30 177.14 2khs s LEU 36 N -0.59 4.37 0.11 2.53 1.02 -1.13 -2.21 118.68 122.79 2khs s LEU 36 Ca 0.01 2.56 -0.34 0.00 0.02 0.00 0.00 54.13 56.38 2khs s LEU 36 Cb -0.05 -3.53 -0.13 0.00 0.02 0.00 0.00 46.19 42.49 2khs s LEU 36 CO 0.00 -1.07 1.64 0.18 0.02 0.00 0.00 176.35 177.12 2khs n LEU 37 N 7.65 3.17 -1.10 1.79 4.77 0.92 -2.52 117.00 131.68 2khs n LEU 37 Ca 0.20 1.06 -0.12 0.00 -0.03 0.00 0.00 56.01 57.11 2khs n LEU 37 Cb 0.42 -1.42 -0.04 0.00 -2.33 0.00 0.00 43.42 40.05 2khs n LEU 37 CO 0.67 -0.24 -0.13 0.18 -1.33 0.00 0.00 177.39 176.54 2khs n LEU 38 N 4.05 -1.12 -4.04 2.23 4.77 -1.26 -4.82 117.00 116.81 2khs n LEU 38 Ca 0.18 0.21 -0.24 0.00 -0.03 0.00 0.00 56.01 56.12 2khs n LEU 38 Cb 0.29 -1.92 -0.16 0.00 -2.33 0.00 0.00 43.42 39.29 2khs n LEU 38 CO 0.65 -0.48 -0.47 -0.69 -1.33 0.00 0.00 177.39 175.07 2khs s VAL 39 N -2.51 1.14 -0.39 4.08 1.01 -1.05 -0.01 120.40 122.66 2khs s VAL 39 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 61.98 61.39 2khs s VAL 39 Cb 0.00 -1.03 0.06 0.00 0.00 0.00 0.00 36.38 35.42 2khs s VAL 39 CO 0.00 0.35 0.21 -1.81 0.00 0.00 0.00 175.10 173.85 2khs s ASP 40 N 0.51 5.55 0.00 3.32 1.01 0.72 -4.26 116.67 123.52 2khs s ASP 40 Ca -0.12 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 51.80 2khs s ASP 40 Cb -0.14 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.83 2khs s ASP 40 CO 0.03 -0.46 0.00 0.41 0.21 0.00 0.00 175.17 175.36 2khs n THR 41 N 4.89 0.00 0.10 -1.27 -1.04 -1.26 -1.29 114.28 114.40 2khs n THR 41 Ca -0.11 0.11 -0.03 0.00 -2.04 0.00 0.00 64.05 61.99 2khs n THR 41 Cb 0.44 -0.45 -0.05 0.00 -1.82 0.00 0.00 70.33 68.44 2khs n THR 41 CO 0.00 0.00 0.00 1.55 -0.64 0.00 0.00 175.07 175.98 2khs h PRO 42 N 0.00 0.00 0.00 -2.82 0.13 -1.92 -3.44 132.00 123.95 2khs h PRO 42 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2khs h PRO 42 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2khs h PRO 42 CO 0.00 0.76 0.00 -0.85 -0.23 0.00 0.00 178.00 177.68 2khs n GLU 43 N -3.28 -1.25 -0.06 0.86 0.00 -1.26 -3.90 120.64 111.75 2khs n GLU 43 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 57.16 57.04 2khs n GLU 43 Cb 0.85 0.00 -0.04 0.00 0.00 0.00 0.00 31.44 32.24 2khs n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2khs n THR 44 N -0.29 0.88 -0.13 3.84 5.66 -1.26 -4.64 114.28 118.33 2khs n THR 44 Ca 0.00 -0.10 -0.25 0.00 -3.05 0.00 0.00 64.05 60.65 2khs n THR 44 Cb 0.00 -1.74 -0.09 0.00 -1.55 0.00 0.00 70.33 66.95 2khs n THR 44 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2khs n LYS 45 N -3.69 0.57 -3.75 1.09 4.76 -1.26 -5.03 118.16 110.86 2khs n LYS 45 Ca -0.23 0.30 -0.12 0.00 -2.87 0.00 0.00 58.31 55.38 2khs n LYS 45 Cb 0.61 -1.52 -0.12 0.00 -1.84 0.00 0.00 35.03 32.16 2khs n LYS 45 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 2khs s HIS 46 N -2.55 -0.37 0.01 2.13 2.46 -1.26 -5.12 115.29 110.60 2khs s HIS 46 Ca -0.36 0.87 -0.30 0.00 0.47 0.00 0.00 55.06 55.74 2khs s HIS 46 Cb 0.12 0.12 -0.08 0.00 -0.13 0.00 0.00 32.58 32.60 2khs s HIS 46 CO 0.49 -0.21 1.90 -1.25 -2.47 0.00 0.00 174.74 173.20 2khs s PRO 47 N 0.69 4.14 -0.20 2.88 0.04 -1.26 -4.86 135.00 136.43 2khs s PRO 47 Ca -0.04 2.51 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 2khs s PRO 47 Cb -0.06 -4.12 -0.19 0.00 0.04 0.00 0.00 34.50 30.16 2khs s PRO 47 CO -0.04 -0.94 0.27 0.87 0.04 0.00 0.00 177.00 177.20 2khs h LYS 48 N 10.40 0.00 0.00 4.56 1.57 -2.00 -3.42 116.57 127.67 2khs h LYS 48 Ca -0.47 0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.21 2khs h LYS 48 Cb 1.22 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.52 2khs h LYS 48 CO 0.94 0.97 -1.41 1.63 -0.57 0.00 0.00 179.45 181.01 2khs n LYS 49 N -4.46 2.56 -0.15 3.15 4.76 -1.26 -5.10 118.16 117.66 2khs n LYS 49 Ca -0.28 -0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.14 2khs n LYS 49 Cb 0.64 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 32.67 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 2.54 0.19 2.10 0.72 0.00 -1.26 -4.91 105.19 104.57 2khs n GLY 50 Ca -0.09 -0.92 -0.22 0.00 0.00 0.00 0.00 46.02 44.80 2khs n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2khs n VAL 51 N 2.26 3.00 -0.33 1.61 0.31 -1.25 -4.68 118.33 119.24 2khs n VAL 51 Ca 0.00 -1.76 0.21 0.00 -0.01 0.00 0.00 64.34 62.78 2khs n VAL 51 Cb 0.00 -0.56 0.41 0.00 -0.91 0.00 0.00 33.84 32.78 2khs n VAL 51 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 2khs h GLU 52 N 0.95 0.04 0.00 5.55 4.81 -1.91 0.36 114.58 124.37 2khs h GLU 52 Ca 0.57 -0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.72 2khs h GLU 52 Cb 2.58 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 31.94 2khs h GLU 52 CO 1.01 0.03 -0.91 0.87 -0.73 0.00 0.00 179.01 179.27 2khs h LYS 53 N 0.04 0.00 0.00 1.92 1.57 -2.01 -3.38 116.57 114.71 2khs h LYS 53 Ca 0.69 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 59.34 2khs h LYS 53 Cb 1.62 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.90 2khs h LYS 53 CO -0.83 0.19 -1.94 0.66 -0.57 0.00 0.00 179.45 176.96 2khs n TYR 54 N -2.91 0.00 -0.17 -1.35 4.01 0.08 -4.52 117.16 112.30 2khs n TYR 54 Ca -0.02 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.68 2khs n TYR 54 Cb 0.68 -0.58 0.03 0.00 -0.31 0.00 0.00 39.34 39.16 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 3.17 0.16 -0.06 2.72 0.00 -0.58 -0.51 103.07 107.98 2khs h GLY 55 Ca -0.20 0.29 0.27 0.00 0.00 0.00 0.00 47.33 47.68 2khs h GLY 55 CO 0.01 -0.22 0.68 -0.56 0.00 0.00 0.00 176.54 176.46 2khs h PRO 56 N -0.10 0.28 0.20 4.80 0.13 -1.79 0.12 132.00 135.64 2khs h PRO 56 Ca 0.24 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 65.02 2khs h PRO 56 Cb 0.48 -0.06 0.02 0.00 0.13 0.00 0.00 31.00 31.56 2khs h PRO 56 CO -0.59 0.18 -1.63 0.93 -0.23 0.00 0.00 178.00 176.66 2khs h GLU 57 N 0.28 0.43 -0.68 0.86 5.08 -1.42 -3.02 114.58 116.12 2khs h GLU 57 Ca 0.55 -0.73 -0.07 0.00 -1.00 0.00 0.00 59.36 58.10 2khs h GLU 57 Cb 1.60 0.27 -0.03 0.00 0.50 0.00 0.00 28.75 31.09 2khs h GLU 57 CO -0.19 1.34 0.13 0.00 -1.00 0.00 0.00 179.01 179.29 2khs h ALA 58 N 0.18 0.90 -0.43 3.43 0.00 -0.51 -1.46 119.26 121.37 2khs h ALA 58 Ca -0.30 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.29 2khs h ALA 58 Cb 2.12 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 19.63 2khs h ALA 58 CO 0.21 0.65 0.06 0.66 0.00 0.00 0.00 179.25 180.83 2khs h SER 59 N 1.04 0.70 -0.30 0.00 4.64 -0.90 -0.23 113.55 118.49 2khs h SER 59 Ca 0.21 -0.27 0.02 0.00 -0.47 0.00 0.00 61.79 61.28 2khs h SER 59 Cb 0.41 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 2khs h SER 59 CO 0.01 0.79 0.16 0.00 -0.87 0.00 0.00 176.83 176.92 2khs h ALA 60 N 0.93 0.37 -0.15 5.18 0.00 -1.38 0.31 119.26 124.53 2khs h ALA 60 Ca 0.13 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.07 2khs h ALA 60 Cb 0.39 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2khs h ALA 60 CO 0.01 -0.21 -0.02 0.35 0.00 0.00 0.00 179.25 179.38 2khs h PHE 61 N 0.34 -0.05 0.08 0.00 3.04 -1.06 -1.41 116.94 117.88 2khs h PHE 61 Ca 0.12 0.01 -0.00 0.00 3.98 0.00 0.00 57.97 62.08 2khs h PHE 61 Cb 0.02 0.05 0.00 0.00 2.56 0.00 0.00 35.95 38.58 2khs h PHE 61 CO -0.09 -0.05 -0.04 1.15 -2.02 0.00 0.00 178.31 177.26 2khs h THR 62 N 0.02 0.91 -0.60 4.41 2.02 -0.62 0.39 112.91 119.45 2khs h THR 62 Ca 0.07 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.19 2khs h THR 62 Cb 0.10 0.91 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2khs h THR 62 CO -0.14 0.00 0.12 0.07 0.37 0.00 0.00 175.52 175.94 2khs h LYS 63 N -0.11 0.95 -0.56 6.66 5.09 -0.79 -0.45 116.57 127.37 2khs h LYS 63 Ca -0.01 -0.22 -0.10 0.00 0.09 0.00 0.00 60.65 60.41 2khs h LYS 63 Cb 0.09 -0.13 -0.02 0.00 0.10 0.00 0.00 32.23 32.27 2khs h LYS 63 CO 0.02 0.87 -0.03 0.87 -2.09 0.00 0.00 179.45 179.09 2khs h LYS 64 N 0.91 1.01 -0.35 0.07 1.57 -1.09 -0.28 116.57 118.40 2khs h LYS 64 Ca 0.19 -0.33 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2khs h LYS 64 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 2khs h LYS 64 CO 0.00 1.01 0.16 1.98 -0.57 0.00 0.00 179.45 182.04 2khs h MET 65 N 0.89 0.51 0.04 3.15 4.05 -0.42 -0.80 114.93 122.34 2khs h MET 65 Ca 0.16 -0.08 -0.23 0.00 -0.28 0.00 0.00 59.70 59.26 2khs h MET 65 Cb 0.58 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 31.27 2khs h MET 65 CO 0.03 0.48 -1.12 -0.39 0.23 0.00 0.00 176.91 176.14 2khs h VAL 66 N 0.42 1.60 0.04 -5.77 -1.51 -1.00 -2.31 116.25 107.72 2khs h VAL 66 Ca 0.12 -3.28 -0.22 0.00 -1.23 0.00 0.00 66.70 62.09 2khs h VAL 66 Cb 0.14 2.85 -0.01 0.00 -2.13 0.00 0.00 31.29 32.14 2khs h VAL 66 CO -0.01 0.93 -1.00 -0.33 -1.23 0.00 0.00 177.57 175.92 2khs h GLU 67 N 0.02 0.22 0.00 5.19 5.08 -1.02 -3.11 114.58 120.97 2khs h GLU 67 Ca -0.06 -0.29 -0.02 0.00 -1.00 0.00 0.00 59.36 57.99 2khs h GLU 67 Cb 1.84 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 31.18 2khs h GLU 67 CO 0.15 1.05 -0.07 -0.97 -1.00 0.00 0.00 179.01 178.17 2khs h ASN 68 N 0.10 0.00 -4.06 1.42 -0.00 -1.22 -3.45 115.58 108.37 2khs h ASN 68 Ca -0.07 0.00 -0.53 0.00 -0.00 0.00 0.00 56.30 55.70 2khs h ASN 68 Cb 1.68 0.00 0.11 0.00 -0.00 0.00 0.00 38.32 40.11 2khs h ASN 68 CO 0.16 0.07 0.53 0.00 -0.00 0.00 0.00 177.43 178.19 2khs s ALA 69 N -3.27 2.74 -0.03 1.57 0.00 -0.87 -4.97 121.76 116.94 2khs s ALA 69 Ca 0.05 1.13 -0.15 0.00 0.00 0.00 0.00 51.96 53.00 2khs s ALA 69 Cb 0.06 -3.49 -0.08 0.00 0.00 0.00 0.00 23.12 19.61 2khs s ALA 69 CO 0.66 -1.15 0.66 0.87 0.00 0.00 0.00 175.76 176.80 2khs h LYS 70 N 1.36 -0.51 -6.06 0.00 1.57 -1.88 -3.46 116.57 107.60 2khs h LYS 70 Ca -0.50 0.03 -0.54 0.00 -1.87 0.00 0.00 60.65 57.77 2khs h LYS 70 Cb 1.29 0.12 -0.21 0.00 0.08 0.00 0.00 32.23 33.50 2khs h LYS 70 CO 0.57 -0.34 -0.82 0.15 -0.57 0.00 0.00 179.45 178.45 2khs s LYS 71 N -3.30 1.12 -0.14 3.15 1.02 -1.26 -4.99 119.74 115.34 2khs s LYS 71 Ca -0.08 -1.19 -0.05 0.00 0.02 0.00 0.00 55.97 54.68 2khs s LYS 71 Cb 0.01 -1.33 -0.04 0.00 -0.52 0.00 0.00 37.83 35.95 2khs s LYS 71 CO 0.23 0.30 0.03 0.42 -0.92 0.00 0.00 175.35 175.41 2khs s ILE 72 N -1.33 4.50 -0.11 2.17 1.01 -1.19 -0.07 121.20 126.18 2khs s ILE 72 Ca 0.07 -0.15 -0.00 0.00 0.00 0.00 0.00 60.65 60.57 2khs s ILE 72 Cb -0.09 -2.97 -0.02 0.00 0.01 0.00 0.00 42.46 39.39 2khs s ILE 72 CO 0.04 0.53 -0.09 -1.61 0.00 0.00 0.00 174.94 173.81 2khs s GLU 73 N -0.19 3.23 -0.24 2.79 0.41 -0.06 -0.23 118.70 124.41 2khs s GLU 73 Ca 0.06 -0.61 -0.04 0.00 -0.41 0.00 0.00 54.97 53.97 2khs s GLU 73 Cb -0.12 -2.67 -0.00 0.00 -1.78 0.00 0.00 34.13 29.55 2khs s GLU 73 CO 0.02 0.36 -0.02 0.14 -0.49 0.00 0.00 175.26 175.28 2khs s VAL 74 N -0.02 3.45 -0.07 2.63 -7.23 0.52 -1.05 120.40 118.63 2khs s VAL 74 Ca -0.02 -0.61 0.03 0.00 -1.81 0.00 0.00 61.98 59.57 2khs s VAL 74 Cb -0.14 -2.64 -0.02 0.00 0.56 0.00 0.00 36.38 34.14 2khs s VAL 74 CO 0.03 0.31 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.30 2khs s GLU 75 N 1.46 2.73 -0.09 4.82 2.12 0.38 0.01 118.70 130.13 2khs s GLU 75 Ca 0.04 -0.70 -0.02 0.00 0.36 0.00 0.00 54.97 54.65 2khs s GLU 75 Cb -0.15 -2.44 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 2khs s GLU 75 CO -0.02 0.51 0.00 -0.06 -0.54 0.00 0.00 175.26 175.16 2khs s PHE 76 N -0.44 3.16 0.37 5.30 0.08 0.34 0.10 117.98 126.89 2khs s PHE 76 Ca 0.05 0.16 -0.04 0.00 0.12 0.00 0.00 56.93 57.23 2khs s PHE 76 Cb -0.12 -1.81 0.08 0.00 -0.57 0.00 0.00 43.02 40.60 2khs s PHE 76 CO 0.02 0.43 0.51 -3.47 -0.10 0.00 0.00 175.22 172.61 2khs n ASP 77 N 2.28 0.33 0.00 1.36 -0.08 -1.26 -3.73 116.55 115.45 2khs n ASP 77 Ca -0.18 -1.36 0.13 0.00 -1.51 0.00 0.00 54.79 51.86 2khs n ASP 77 Cb 0.53 -0.36 0.71 0.00 2.34 0.00 0.00 41.12 44.34 2khs n ASP 77 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2khs n LYS 78 N -2.01 0.61 0.00 -0.67 4.76 -1.26 -4.61 118.16 114.98 2khs n LYS 78 Ca 0.07 0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.54 2khs n LYS 78 Cb 0.26 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.95 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 79 N 0.71 0.77 3.98 0.72 0.00 -1.26 -5.07 105.19 105.04 2khs n GLY 79 Ca 0.16 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.99 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 0.96 3.19 -0.14 1.61 -1.52 -1.26 -5.03 119.66 117.47 2khs s GLN 80 Ca 0.00 -0.94 0.03 0.00 -1.95 0.00 0.00 55.36 52.50 2khs s GLN 80 Cb 0.00 -2.83 -0.10 0.00 -0.22 0.00 0.00 33.01 29.86 2khs s GLN 80 CO 0.00 0.13 -0.09 -2.13 -0.25 0.00 0.00 175.29 172.95 2khs n ARG 81 N -1.61 0.73 -3.96 2.91 0.63 -1.26 -4.60 116.66 109.51 2khs n ARG 81 Ca -0.02 0.07 -0.09 0.00 -0.92 0.00 0.00 57.85 56.88 2khs n ARG 81 Cb 0.58 -1.29 -0.11 0.00 0.45 0.00 0.00 32.46 32.09 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 -2.29 0.11 0.17 5.15 -4.23 -1.26 -0.60 115.64 112.69 2khs s THR 82 Ca -0.17 -0.87 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 2khs s THR 82 Cb 0.05 -0.32 -0.03 0.00 1.34 0.00 0.00 72.50 73.53 2khs s THR 82 CO 0.36 -0.48 0.27 -0.62 -0.54 0.00 0.00 174.62 173.61 2khs s ASP 83 N -1.47 6.21 0.55 3.99 -1.08 0.10 -4.87 116.67 120.09 2khs s ASP 83 Ca -0.15 0.11 0.23 0.00 -0.52 0.00 0.00 52.55 52.21 2khs s ASP 83 Cb -0.09 -1.83 1.45 0.00 -1.46 0.00 0.00 42.92 40.99 2khs s ASP 83 CO -0.01 0.03 2.11 0.50 0.52 0.00 0.00 175.17 178.33 2khs h LYS 84 N 2.00 0.00 0.00 4.34 3.64 -2.02 -1.05 116.57 123.47 2khs h LYS 84 Ca -0.49 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 2khs h LYS 84 Cb 1.20 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.02 2khs h LYS 84 CO 0.66 0.00 0.00 -0.92 -2.27 0.00 0.00 179.45 176.92 2khs h TYR 85 N 0.00 0.00 -1.20 1.91 3.20 -2.05 -3.45 116.97 115.38 2khs h TYR 85 Ca 0.09 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2khs h TYR 85 Cb 0.38 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.65 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 -0.38 0.68 3.63 1.82 0.00 -0.40 -5.11 105.19 105.43 2khs n GLY 86 Ca -0.01 -0.57 -0.05 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.40 0.63 0.48 1.61 6.06 -1.22 -4.86 118.95 119.24 2khs s ARG 87 Ca 0.00 1.19 -0.19 0.00 -2.50 0.00 0.00 55.73 54.23 2khs s ARG 87 Cb 0.00 0.30 -0.09 0.00 0.06 0.00 0.00 34.95 35.22 2khs s ARG 87 CO 0.00 -0.15 0.98 0.20 -2.50 0.00 0.00 175.30 173.83 2khs s GLY 88 N 1.90 2.30 -0.30 8.12 0.00 0.14 0.02 107.32 119.50 2khs s GLY 88 Ca -0.09 0.38 0.03 0.00 0.00 0.00 0.00 44.72 45.04 2khs s GLY 88 CO -0.19 0.67 -0.03 1.08 0.00 0.00 0.00 173.10 174.63 2khs s LEU 89 N -3.58 4.11 0.04 0.66 1.43 0.23 -0.15 118.68 121.42 2khs s LEU 89 Ca 0.62 -1.78 0.00 0.00 -1.03 0.00 0.00 54.13 51.95 2khs s LEU 89 Cb -0.11 -1.59 -0.03 0.00 0.03 0.00 0.00 46.19 44.49 2khs s LEU 89 CO 0.21 -0.29 -0.04 0.00 0.23 0.00 0.00 176.35 176.46 2khs s ALA 90 N 1.00 0.36 -0.23 4.21 0.00 -0.94 -4.59 121.76 121.58 2khs s ALA 90 Ca 0.01 -0.80 -0.15 0.00 0.00 0.00 0.00 51.96 51.02 2khs s ALA 90 Cb -0.20 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.03 2khs s ALA 90 CO -0.06 -0.17 0.37 -0.47 0.00 0.00 0.00 175.76 175.43 2khs s TYR 91 N -2.03 3.33 -0.20 0.00 6.14 0.12 -0.05 117.35 124.65 2khs s TYR 91 Ca -0.09 0.52 -0.11 0.00 0.64 0.00 0.00 57.07 58.04 2khs s TYR 91 Cb -0.06 -2.52 -0.05 0.00 0.42 0.00 0.00 41.96 39.75 2khs s TYR 91 CO -0.03 -0.07 0.17 0.42 0.64 0.00 0.00 175.55 176.68 2khs s ILE 92 N 1.54 5.38 0.00 3.14 -1.09 -1.26 -0.47 121.20 128.44 2khs s ILE 92 Ca 0.17 0.26 0.05 0.00 -2.23 0.00 0.00 60.65 58.90 2khs s ILE 92 Cb -0.15 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.19 2khs s ILE 92 CO 0.08 0.41 -0.15 -0.31 -1.23 0.00 0.00 174.94 173.74 2khs s TYR 93 N 0.52 2.65 -0.52 3.97 1.51 -0.21 -1.38 117.35 123.89 2khs s TYR 93 Ca 0.09 -0.20 -0.10 0.00 -1.01 0.00 0.00 57.07 55.85 2khs s TYR 93 Cb -0.12 -1.55 0.13 0.00 -0.11 0.00 0.00 41.96 40.32 2khs s TYR 93 CO 0.00 0.23 0.41 0.00 -1.11 0.00 0.00 175.55 175.08 2khs s ALA 94 N -0.85 3.50 -1.74 3.71 0.00 0.17 -0.88 121.76 125.66 2khs s ALA 94 Ca 0.14 -2.63 -0.20 0.00 0.00 0.00 0.00 51.96 49.27 2khs s ALA 94 Cb -0.11 -2.95 0.17 0.00 0.00 0.00 0.00 23.12 20.24 2khs s ALA 94 CO 0.04 -1.96 0.77 -3.47 0.00 0.00 0.00 175.76 171.13 2khs n ASP 95 N 4.84 -3.12 0.00 0.00 2.03 0.90 -0.87 116.55 120.33 2khs n ASP 95 Ca -0.07 -1.05 0.00 0.00 0.52 0.00 0.00 54.79 54.19 2khs n ASP 95 Cb 0.41 -2.58 0.00 0.00 -0.72 0.00 0.00 41.12 38.23 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 -1.34 2.88 3.72 0.27 0.00 -1.26 -4.99 105.19 104.47 2khs n GLY 96 Ca 0.09 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.53 4.62 -0.69 1.61 1.02 -0.05 -4.96 119.74 120.77 2khs s LYS 97 Ca 0.00 1.37 -0.27 0.00 0.02 0.00 0.00 55.97 57.09 2khs s LYS 97 Cb 0.00 -3.40 0.02 0.00 -0.52 0.00 0.00 37.83 33.93 2khs s LYS 97 CO 0.00 0.13 1.39 -1.64 -0.92 0.00 0.00 175.35 174.32 2khs s MET 98 N 0.34 3.12 0.04 1.68 -1.94 -1.26 0.42 119.30 121.70 2khs s MET 98 Ca 0.47 0.01 -0.22 0.00 -1.71 0.00 0.00 55.69 54.24 2khs s MET 98 Cb -0.22 -4.20 -0.14 0.00 2.01 0.00 0.00 34.83 32.28 2khs s MET 98 CO 0.28 -2.21 1.45 0.28 -0.01 0.00 0.00 175.02 174.81 2khs h VAL 99 N 6.23 1.27 -0.61 -6.03 2.07 -1.58 -0.55 116.25 117.05 2khs h VAL 99 Ca -0.27 -0.89 0.06 0.00 0.82 0.00 0.00 66.70 66.42 2khs h VAL 99 Cb 1.07 1.64 -0.05 0.00 -1.52 0.00 0.00 31.29 32.43 2khs h VAL 99 CO 1.25 0.25 0.32 0.78 0.02 0.00 0.00 177.57 180.20 2khs h ASN 100 N -0.09 0.46 -0.37 0.57 4.21 -1.89 -0.37 115.58 118.11 2khs h ASN 100 Ca 0.03 0.03 -0.10 0.00 1.21 0.00 0.00 56.30 57.47 2khs h ASN 100 Cb 0.40 -0.05 -0.01 0.00 -1.12 0.00 0.00 38.32 37.54 2khs h ASN 100 CO 0.01 0.30 -0.16 -0.08 -1.29 0.00 0.00 177.43 176.21 2khs h GLU 101 N 0.60 0.76 -0.55 0.81 4.81 -1.87 -2.82 114.58 116.31 2khs h GLU 101 Ca 0.28 -0.32 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 2khs h GLU 101 Cb 0.19 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2khs h GLU 101 CO -0.19 0.94 0.30 0.00 -0.73 0.00 0.00 179.01 179.34 2khs h ALA 102 N 0.80 0.71 -0.09 2.92 0.00 -0.32 0.37 119.26 123.66 2khs h ALA 102 Ca 0.08 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.02 2khs h ALA 102 Cb 0.70 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2khs h ALA 102 CO 0.05 -0.01 -0.04 -0.07 0.00 0.00 0.00 179.25 179.18 2khs h LEU 103 N 0.59 -0.13 -0.60 0.00 3.38 -1.02 -0.04 115.31 117.49 2khs h LEU 103 Ca 0.23 0.03 -0.14 0.00 0.09 0.00 0.00 57.88 58.10 2khs h LEU 103 Cb 0.10 0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2khs h LEU 103 CO -0.14 -0.05 -0.43 0.58 0.09 0.00 0.00 178.44 178.49 2khs h VAL 104 N -0.03 1.30 -0.67 1.22 2.07 -1.20 0.28 116.25 119.22 2khs h VAL 104 Ca 0.05 -1.62 -0.04 0.00 0.82 0.00 0.00 66.70 65.92 2khs h VAL 104 Cb 0.10 1.57 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2khs h VAL 104 CO -0.11 0.51 0.27 -0.09 0.02 0.00 0.00 177.57 178.18 2khs h ARG 105 N 0.50 0.97 -0.17 1.57 9.65 0.07 -2.20 114.38 124.77 2khs h ARG 105 Ca 0.04 -0.16 0.00 0.00 -1.10 0.00 0.00 59.98 58.76 2khs h ARG 105 Cb 0.96 -0.17 0.00 0.00 -1.39 0.00 0.00 29.97 29.37 2khs h ARG 105 CO 0.09 0.79 0.00 1.04 2.80 0.00 0.00 179.97 184.68 2khs n GLN 106 N -4.31 1.82 -2.93 0.20 1.13 -0.06 -4.92 117.38 108.32 2khs n GLN 106 Ca 0.06 -1.23 -0.17 0.00 -1.94 0.00 0.00 57.00 53.72 2khs n GLN 106 Cb 0.17 -1.42 0.03 0.00 0.11 0.00 0.00 30.24 29.14 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 1.18 -0.21 0.00 1.08 0.00 -0.83 -4.89 105.19 101.53 2khs n GLY 107 Ca 0.17 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 -3.25 0.77 -3.69 0.99 4.77 0.93 -4.98 117.00 112.54 2khs n LEU 108 Ca -0.07 -0.43 -0.10 0.00 -0.03 0.00 0.00 56.01 55.38 2khs n LEU 108 Cb 0.58 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 2khs n LEU 108 CO 0.38 0.19 0.15 0.00 -1.33 0.00 0.00 177.39 176.79 2khs s ALA 109 N -2.85 -0.83 0.13 -1.18 0.00 -1.05 -4.68 121.76 111.30 2khs s ALA 109 Ca 0.05 -0.17 0.05 0.00 0.00 0.00 0.00 51.96 51.89 2khs s ALA 109 Cb 0.14 0.72 -0.04 0.00 0.00 0.00 0.00 23.12 23.94 2khs s ALA 109 CO 0.78 -0.66 0.07 0.15 0.00 0.00 0.00 175.76 176.09 2khs s LYS 110 N -3.83 2.73 -0.03 0.00 1.02 -0.41 -4.19 119.74 115.04 2khs s LYS 110 Ca 0.05 -0.85 -0.27 0.00 0.02 0.00 0.00 55.97 54.92 2khs s LYS 110 Cb 0.02 -2.60 -0.03 0.00 -0.52 0.00 0.00 37.83 34.69 2khs s LYS 110 CO -0.10 0.51 0.86 0.54 -0.92 0.00 0.00 175.35 176.25 2khs s VAL 111 N -1.55 4.94 -0.24 3.17 0.11 -1.26 -0.20 120.40 125.37 2khs s VAL 111 Ca 0.29 1.79 -0.20 0.00 -2.93 0.00 0.00 61.98 60.93 2khs s VAL 111 Cb -0.11 -4.20 -0.02 0.00 -1.53 0.00 0.00 36.38 30.52 2khs s VAL 111 CO 0.21 0.21 0.62 0.00 -3.33 0.00 0.00 175.10 172.80 2khs s ALA 112 N 0.88 3.59 -0.12 1.54 0.00 0.98 -4.80 121.76 123.84 2khs s ALA 112 Ca 0.46 -0.40 -0.23 0.00 0.00 0.00 0.00 51.96 51.78 2khs s ALA 112 Cb -0.20 -3.00 -0.03 0.00 0.00 0.00 0.00 23.12 19.89 2khs s ALA 112 CO 0.24 -0.73 0.70 1.52 0.00 0.00 0.00 175.76 177.49 2khs s TYR 113 N 2.32 3.50 -0.08 0.00 -0.85 -1.26 -4.57 117.35 116.41 2khs s TYR 113 Ca 0.26 1.16 -0.01 0.00 -0.52 0.00 0.00 57.07 57.96 2khs s TYR 113 Cb -0.16 -2.84 0.03 0.00 0.38 0.00 0.00 41.96 39.38 2khs s TYR 113 CO 0.09 -0.04 -0.01 0.08 -1.52 0.00 0.00 175.55 174.15 2khs s VAL 114 N 1.32 0.47 0.00 -3.49 1.01 -1.26 -5.06 120.40 113.39 2khs s VAL 114 Ca 0.35 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.40 2khs s VAL 114 Cb -0.17 -0.61 0.00 0.00 0.00 0.00 0.00 36.38 35.61 2khs s VAL 114 CO 0.15 0.28 0.00 -1.22 0.00 0.00 0.00 175.10 174.30 2khs n TYR 115 N 5.11 0.00 -3.63 5.22 4.01 -1.26 -5.10 117.16 121.52 2khs n TYR 115 Ca -0.08 0.00 -0.32 0.00 -0.16 0.00 0.00 57.90 57.34 2khs n TYR 115 Cb 0.50 0.05 -0.05 0.00 -0.31 0.00 0.00 39.34 39.53 2khs n TYR 115 CO 0.00 0.00 0.00 -1.59 -0.46 0.00 0.00 176.86 174.81 2khs s LYS 116 N -0.91 3.66 -0.07 -0.72 0.00 -1.26 -4.98 119.74 115.46 2khs s LYS 116 Ca 0.00 -0.01 0.03 0.00 0.00 0.00 0.00 55.97 55.99 2khs s LYS 116 Cb 0.00 -2.84 0.19 0.00 0.00 0.00 0.00 37.83 35.18 2khs s LYS 116 CO 0.00 0.46 0.90 -0.35 0.00 0.00 0.00 175.35 176.36 2khs n PRO 117 N 0.15 1.79 0.00 1.78 -0.04 -1.26 -4.92 135.00 132.51 2khs n PRO 117 Ca -0.03 -0.75 0.00 0.00 -0.04 0.00 0.00 63.50 62.68 2khs n PRO 117 Cb 0.52 -1.59 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 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 0.14 0.00 -0.01 3.54 5.15 -1.26 -3.11 115.26 119.71 2khs n ASN 118 Ca 0.08 0.00 0.07 0.00 -0.60 0.00 0.00 54.58 54.14 2khs n ASN 118 Cb 0.55 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.66 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 1.74 0.99 -1.29 1.20 4.13 -1.26 -4.55 115.26 116.22 2khs n ASN 119 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 2khs n ASN 119 Cb 0.00 1.73 0.00 0.00 -1.54 0.00 0.00 39.78 39.97 2khs n ASN 119 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2khs n THR 120 N -2.15 1.48 -1.41 3.41 -1.04 -1.18 -5.29 114.28 108.10 2khs n THR 120 Ca -0.05 -0.26 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2khs n THR 120 Cb 0.51 -1.25 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00