#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 0.00 -3.65 0.00 -2.24 -1.26 -3.99 114.28 103.14 2khs n THR 2 Ca 0.00 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.57 2khs n THR 2 Cb 0.00 -0.58 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 2khs n THR 2 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2khs n SER 3 N -0.18 -5.45 -4.87 3.42 7.64 -1.26 -5.02 113.62 107.89 2khs n SER 3 Ca 0.00 -0.81 -0.25 0.00 1.01 0.00 0.00 58.87 58.82 2khs n SER 3 Cb 0.09 -2.56 -0.02 0.00 -1.01 0.00 0.00 64.21 60.71 2khs n SER 3 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 2khs s THR 4 N -3.06 1.90 0.00 0.44 -1.32 -1.26 -4.85 115.64 107.48 2khs s THR 4 Ca 0.07 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.05 2khs s THR 4 Cb -0.03 -2.40 0.00 0.00 -1.51 0.00 0.00 72.50 68.56 2khs s THR 4 CO 0.87 0.00 0.00 0.29 -2.21 0.00 0.00 174.62 173.57 2khs n LYS 5 N -1.65 0.00 -0.36 7.08 5.02 -1.26 -4.70 118.16 122.29 2khs n LYS 5 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2khs n LYS 5 Cb 0.64 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.65 2khs n LYS 5 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 2khs n LYS 6 N 0.00 3.33 -3.79 1.97 4.76 -1.26 -5.14 118.16 118.03 2khs n LYS 6 Ca 0.00 0.00 -0.30 0.00 -2.87 0.00 0.00 58.31 55.14 2khs n LYS 6 Cb 0.00 0.00 -0.04 0.00 -1.84 0.00 0.00 35.03 33.15 2khs n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2khs s LEU 7 N 0.00 4.30 -0.17 -0.35 1.43 -1.26 -4.95 118.68 117.69 2khs s LEU 7 Ca 0.00 0.41 -0.06 0.00 -1.03 0.00 0.00 54.13 53.45 2khs s LEU 7 Cb 0.00 -3.13 -0.04 0.00 0.03 0.00 0.00 46.19 43.05 2khs s LEU 7 CO 0.00 0.08 0.04 -1.00 0.23 0.00 0.00 176.35 175.70 2khs s HIS 8 N -1.64 3.21 -0.06 0.29 3.76 -1.24 -4.98 115.29 114.64 2khs s HIS 8 Ca 0.38 0.02 0.06 0.00 -0.15 0.00 0.00 55.06 55.37 2khs s HIS 8 Cb -0.12 -2.03 -0.01 0.00 1.11 0.00 0.00 32.58 31.53 2khs s HIS 8 CO 0.27 0.16 -0.24 0.21 -0.85 0.00 0.00 174.74 174.29 2khs s LYS 9 N 0.23 2.44 0.05 1.40 2.20 -1.26 -1.72 119.74 123.07 2khs s LYS 9 Ca 0.03 -0.86 -0.00 0.00 -0.36 0.00 0.00 55.97 54.78 2khs s LYS 9 Cb -0.13 -2.06 -0.04 0.00 -1.51 0.00 0.00 37.83 34.10 2khs s LYS 9 CO 0.01 0.35 -0.04 -1.83 -0.36 0.00 0.00 175.35 173.48 2khs s GLU 10 N -0.12 0.59 0.48 4.03 -1.05 -0.03 -4.96 118.70 117.64 2khs s GLU 10 Ca -0.04 -1.09 -0.21 0.00 -0.15 0.00 0.00 54.97 53.47 2khs s GLU 10 Cb -0.13 0.08 -0.07 0.00 -0.44 0.00 0.00 34.13 33.56 2khs s GLU 10 CO 0.04 -0.07 1.12 -2.14 0.95 0.00 0.00 175.26 175.16 2khs s PRO 11 N -3.26 3.68 0.08 -4.83 0.02 -1.26 -0.64 135.00 128.79 2khs s PRO 11 Ca 0.02 1.63 -0.01 0.00 0.02 0.00 0.00 61.00 62.66 2khs s PRO 11 Cb 0.03 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.27 2khs s PRO 11 CO -0.07 -0.58 -0.01 0.00 -0.33 0.00 0.00 177.00 176.01 2khs s ALA 12 N -1.70 0.69 0.02 -1.55 0.00 0.75 -4.29 121.76 115.68 2khs s ALA 12 Ca 0.67 -1.31 0.03 0.00 0.00 0.00 0.00 51.96 51.35 2khs s ALA 12 Cb -0.24 0.41 -0.04 0.00 0.00 0.00 0.00 23.12 23.26 2khs s ALA 12 CO 0.29 -0.38 -0.04 0.99 0.00 0.00 0.00 175.76 176.62 2khs s THR 13 N -3.90 3.84 0.06 0.00 2.01 0.18 -4.02 115.64 113.81 2khs s THR 13 Ca 0.13 -0.77 -0.26 0.00 0.31 0.00 0.00 61.69 61.10 2khs s THR 13 Cb 0.07 -2.71 -0.06 0.00 0.01 0.00 0.00 72.50 69.82 2khs s THR 13 CO -0.06 0.34 0.80 -0.22 -0.69 0.00 0.00 174.62 174.79 2khs s LEU 14 N -1.61 4.47 -0.17 4.42 2.96 -1.26 0.37 118.68 127.86 2khs s LEU 14 Ca 0.19 1.52 -0.13 0.00 -0.22 0.00 0.00 54.13 55.49 2khs s LEU 14 Cb -0.11 -3.29 -0.07 0.00 0.50 0.00 0.00 46.19 43.22 2khs s LEU 14 CO 0.10 0.02 -0.13 -0.38 -1.32 0.00 0.00 176.35 174.64 2khs n ILE 15 N 2.71 1.46 -3.63 6.68 2.08 0.38 -4.84 119.36 124.20 2khs n ILE 15 Ca -0.02 0.13 -0.09 0.00 0.56 0.00 0.00 62.75 63.33 2khs n ILE 15 Cb 0.50 -2.30 -0.07 0.00 -0.75 0.00 0.00 39.64 37.03 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 -2.36 0.49 -0.41 0.38 2.20 -1.11 -5.02 119.74 113.91 2khs s LYS 16 Ca -0.20 0.49 -0.15 0.00 -0.36 0.00 0.00 55.97 55.74 2khs s LYS 16 Cb 0.04 0.24 0.02 0.00 -1.51 0.00 0.00 37.83 36.61 2khs s LYS 16 CO 0.33 -0.08 0.30 0.00 -0.36 0.00 0.00 175.35 175.54 2khs s ALA 17 N -0.02 3.48 -0.18 3.13 0.00 -1.26 -0.46 121.76 126.45 2khs s ALA 17 Ca 0.03 -1.71 -0.17 0.00 0.00 0.00 0.00 51.96 50.11 2khs s ALA 17 Cb -0.04 -2.89 -0.13 0.00 0.00 0.00 0.00 23.12 20.06 2khs s ALA 17 CO -0.05 -1.45 0.08 0.82 0.00 0.00 0.00 175.76 175.15 2khs h ILE 18 N 5.63 0.58 -3.13 0.00 5.03 -1.86 -3.46 117.51 120.31 2khs h ILE 18 Ca -0.27 -1.74 -0.43 0.00 -0.12 0.00 0.00 64.86 62.31 2khs h ILE 18 Cb 1.12 1.40 -0.14 0.00 -3.03 0.00 0.00 36.82 36.17 2khs h ILE 18 CO 0.73 0.20 -0.62 -0.62 -0.68 0.00 0.00 178.15 177.16 2khs s ASP 19 N -6.41 2.02 0.48 1.72 2.15 0.18 -4.94 116.67 111.87 2khs s ASP 19 Ca -0.23 -1.35 0.16 0.00 0.43 0.00 0.00 52.55 51.57 2khs s ASP 19 Cb 0.04 -0.01 1.16 0.00 -0.30 0.00 0.00 42.92 43.80 2khs s ASP 19 CO 0.45 -0.61 2.06 1.23 -0.17 0.00 0.00 175.17 178.13 2khs h GLY 20 N 2.24 0.00 0.06 2.66 0.00 -1.82 -3.18 103.07 103.02 2khs h GLY 20 Ca -0.40 0.00 -0.39 0.00 0.00 0.00 0.00 47.33 46.54 2khs h GLY 20 CO 0.67 0.00 -2.22 1.22 0.00 0.00 0.00 176.54 176.20 2khs n ASP 21 N -4.33 1.96 -4.52 0.19 8.00 -1.26 -4.77 116.55 111.81 2khs n ASP 21 Ca -0.03 0.24 -0.42 0.00 0.71 0.00 0.00 54.79 55.30 2khs n ASP 21 Cb 0.18 -0.77 -0.09 0.00 -0.02 0.00 0.00 41.12 40.43 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2khs s THR 22 N -2.49 5.13 0.02 -3.53 2.01 -1.20 -2.53 115.64 113.05 2khs s THR 22 Ca -0.35 -0.08 0.02 0.00 0.31 0.00 0.00 61.69 61.60 2khs s THR 22 Cb 0.11 -3.91 -0.01 0.00 0.01 0.00 0.00 72.50 68.69 2khs s THR 22 CO 0.56 -0.22 -0.08 0.54 -0.69 0.00 0.00 174.62 174.73 2khs s VAL 23 N 2.09 0.57 -0.22 3.82 0.11 0.21 -0.65 120.40 126.33 2khs s VAL 23 Ca 0.12 -0.68 -0.06 0.00 -2.93 0.00 0.00 61.98 58.43 2khs s VAL 23 Cb -0.17 -0.55 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2khs s VAL 23 CO 0.12 -0.09 0.04 -0.54 -3.33 0.00 0.00 175.10 171.30 2khs s LYS 24 N -0.84 3.67 0.11 1.54 1.02 0.39 0.28 119.74 125.90 2khs s LYS 24 Ca -0.03 -0.48 0.08 0.00 0.02 0.00 0.00 55.97 55.56 2khs s LYS 24 Cb -0.06 -3.20 -0.04 0.00 -0.52 0.00 0.00 37.83 34.01 2khs s LYS 24 CO 0.00 -0.06 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.67 2khs s LEU 25 N 1.22 2.32 -0.31 3.17 1.02 -0.55 -0.47 118.68 125.09 2khs s LEU 25 Ca 0.04 -0.71 0.01 0.00 0.02 0.00 0.00 54.13 53.49 2khs s LEU 25 Cb -0.14 -0.82 0.07 0.00 0.02 0.00 0.00 46.19 45.31 2khs s LEU 25 CO 0.02 0.02 0.00 -0.32 0.02 0.00 0.00 176.35 176.10 2khs s MET 26 N -2.07 2.08 -0.18 1.70 1.75 0.16 -0.17 119.30 122.57 2khs s MET 26 Ca 0.07 -1.51 -0.02 0.00 -1.25 0.00 0.00 55.69 52.98 2khs s MET 26 Cb -0.09 -3.14 -0.01 0.00 2.84 0.00 0.00 34.83 34.43 2khs s MET 26 CO 0.04 -0.74 -0.09 1.52 -0.65 0.00 0.00 175.02 175.11 2khs s TYR 27 N 1.10 2.89 -1.78 4.11 1.13 -0.14 0.51 117.35 125.18 2khs s TYR 27 Ca -0.01 -0.89 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 2khs s TYR 27 Cb -0.20 -1.99 0.00 0.00 -1.10 0.00 0.00 41.96 38.67 2khs s TYR 27 CO -0.04 -0.45 0.00 1.63 -2.51 0.00 0.00 175.55 174.18 2khs n LYS 28 N 4.31 -1.69 -0.31 -3.49 5.02 -1.26 -0.46 118.16 120.29 2khs n LYS 28 Ca -0.18 1.01 0.00 0.00 -2.02 0.00 0.00 58.31 57.11 2khs n LYS 28 Cb 0.51 -5.60 0.00 0.00 -0.02 0.00 0.00 35.03 29.93 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 -0.85 0.78 3.20 0.72 0.00 -1.26 -5.04 105.19 102.74 2khs n GLY 29 Ca -0.23 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.69 2.53 -0.81 1.61 -1.52 0.39 -5.03 119.66 116.14 2khs s GLN 30 Ca 0.00 -1.90 -0.25 0.00 -1.95 0.00 0.00 55.36 51.26 2khs s GLN 30 Cb 0.00 -3.92 0.04 0.00 -0.22 0.00 0.00 33.01 28.91 2khs s GLN 30 CO 0.00 -1.19 1.30 -2.14 -0.25 0.00 0.00 175.29 173.01 2khs s PRO 31 N 1.12 3.30 0.03 2.91 0.02 -1.26 -0.97 135.00 140.16 2khs s PRO 31 Ca 0.08 -0.54 0.05 0.00 0.02 0.00 0.00 61.00 60.61 2khs s PRO 31 Cb -0.24 -4.51 -0.03 0.00 0.02 0.00 0.00 34.50 29.73 2khs s PRO 31 CO -0.02 -2.13 -0.11 1.41 -0.33 0.00 0.00 177.00 175.82 2khs s MET 32 N 5.36 2.33 -0.23 5.54 1.75 0.75 -4.93 119.30 129.87 2khs s MET 32 Ca 0.37 -0.86 -0.27 0.00 -1.25 0.00 0.00 55.69 53.68 2khs s MET 32 Cb -0.06 -2.37 0.00 0.00 2.84 0.00 0.00 34.83 35.24 2khs s MET 32 CO 0.08 0.56 0.95 0.99 -0.65 0.00 0.00 175.02 176.95 2khs s THR 33 N -1.02 4.75 0.18 10.11 2.01 -1.26 -1.48 115.64 128.93 2khs s THR 33 Ca 0.17 1.83 0.09 0.00 0.31 0.00 0.00 61.69 64.09 2khs s THR 33 Cb -0.11 -4.23 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 2khs s THR 33 CO 0.08 -0.13 -0.10 -0.36 -0.69 0.00 0.00 174.62 173.42 2khs s PHE 34 N 3.03 2.64 0.09 4.92 0.08 0.14 -0.71 117.98 128.17 2khs s PHE 34 Ca 0.40 -0.22 0.09 0.00 0.12 0.00 0.00 56.93 57.32 2khs s PHE 34 Cb -0.15 -1.29 -0.04 0.00 -0.57 0.00 0.00 43.02 40.97 2khs s PHE 34 CO 0.07 0.51 -0.23 1.03 -0.10 0.00 0.00 175.22 176.50 2khs s ARG 35 N -2.80 1.70 -0.12 0.44 0.52 -0.18 -0.62 118.95 117.89 2khs s ARG 35 Ca 0.25 -1.19 -0.29 0.00 -0.52 0.00 0.00 55.73 53.97 2khs s ARG 35 Cb -0.09 -2.03 -0.01 0.00 0.52 0.00 0.00 34.95 33.34 2khs s ARG 35 CO 0.15 0.49 1.12 -0.51 0.02 0.00 0.00 175.30 176.57 2khs s LEU 36 N -1.82 4.22 0.40 2.53 1.02 -1.05 -2.27 118.68 121.71 2khs s LEU 36 Ca 0.15 1.62 -0.26 0.00 0.02 0.00 0.00 54.13 55.66 2khs s LEU 36 Cb -0.10 -3.55 -0.09 0.00 0.02 0.00 0.00 46.19 42.47 2khs s LEU 36 CO 0.06 -0.59 1.36 -0.76 0.02 0.00 0.00 176.35 176.44 2khs s LEU 37 N 2.58 4.23 -0.05 1.79 1.43 0.10 -2.94 118.68 125.82 2khs s LEU 37 Ca 0.51 2.77 0.00 0.00 -1.03 0.00 0.00 54.13 56.39 2khs s LEU 37 Cb -0.20 -3.85 0.00 0.00 0.03 0.00 0.00 46.19 42.17 2khs s LEU 37 CO 0.16 -0.90 0.00 0.18 0.23 0.00 0.00 176.35 176.03 2khs n LEU 38 N 0.17 0.32 -4.50 1.79 4.77 -1.25 -4.84 117.00 113.46 2khs n LEU 38 Ca 0.03 0.01 -0.33 0.00 -0.03 0.00 0.00 56.01 55.70 2khs n LEU 38 Cb 0.42 -1.24 -0.13 0.00 -2.33 0.00 0.00 43.42 40.14 2khs n LEU 38 CO 0.58 -0.37 -0.44 -0.69 -1.33 0.00 0.00 177.39 175.14 2khs s VAL 39 N -1.67 3.18 -0.22 4.08 1.01 -1.15 -0.78 120.40 124.86 2khs s VAL 39 Ca 0.00 -0.73 -0.03 0.00 0.00 0.00 0.00 61.98 61.22 2khs s VAL 39 Cb 0.00 -2.28 0.07 0.00 0.00 0.00 0.00 36.38 34.17 2khs s VAL 39 CO 0.00 0.55 0.06 -0.62 0.00 0.00 0.00 175.10 175.09 2khs s ASP 40 N -0.87 3.10 -0.00 3.32 2.15 -0.13 -4.44 116.67 119.80 2khs s ASP 40 Ca 0.12 -0.98 0.11 0.00 0.43 0.00 0.00 52.55 52.24 2khs s ASP 40 Cb -0.11 -0.59 -0.13 0.00 -0.30 0.00 0.00 42.92 41.80 2khs s ASP 40 CO 0.02 -0.34 0.45 0.35 -0.17 0.00 0.00 175.17 175.48 2khs n THR 41 N 5.06 0.00 -1.55 1.71 -2.24 -1.26 -0.47 114.28 115.52 2khs n THR 41 Ca -0.07 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.12 2khs n THR 41 Cb 0.46 0.92 0.08 0.00 -2.10 0.00 0.00 70.33 69.69 2khs n THR 41 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2khs s PRO 42 N -2.13 2.30 -0.00 -0.78 0.04 -1.26 -4.67 135.00 128.48 2khs s PRO 42 Ca 0.03 1.83 -0.37 0.00 0.04 0.00 0.00 61.00 62.53 2khs s PRO 42 Cb 0.08 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.62 2khs s PRO 42 CO 0.46 -1.73 1.45 -1.91 0.04 0.00 0.00 177.00 175.31 2khs n GLU 43 N -2.45 1.18 0.02 4.56 4.07 -1.26 -4.87 120.64 121.89 2khs n GLU 43 Ca 0.14 0.43 -0.05 0.00 -0.06 0.00 0.00 57.16 57.61 2khs n GLU 43 Cb 0.50 -2.09 -0.03 0.00 -0.06 0.00 0.00 31.44 29.76 2khs n GLU 43 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2khs h THR 44 N 3.83 0.00 -0.03 6.31 1.03 -1.96 -2.06 112.91 120.04 2khs h THR 44 Ca -0.47 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 65.93 2khs h THR 44 Cb 1.33 0.00 0.00 0.00 -1.07 0.00 0.00 68.15 68.41 2khs h THR 44 CO 0.83 0.00 -0.01 0.29 -0.01 0.00 0.00 175.52 176.62 2khs n LYS 45 N -3.50 2.10 0.00 0.00 4.01 -1.26 -5.04 118.16 114.47 2khs n LYS 45 Ca -0.03 -1.62 0.00 0.00 -0.51 0.00 0.00 58.31 56.16 2khs n LYS 45 Cb 0.14 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.19 2khs n LYS 45 CO 0.00 0.00 0.00 0.72 -1.11 0.00 0.00 177.40 177.01 2khs n HIS 46 N 0.96 0.00 -1.55 2.13 8.25 -0.78 -4.96 115.22 119.27 2khs n HIS 46 Ca 0.15 0.00 -0.61 0.00 -0.26 0.00 0.00 57.72 57.01 2khs n HIS 46 Cb 0.52 -1.40 -0.09 0.00 1.12 0.00 0.00 29.99 30.15 2khs n HIS 46 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 2khs n PRO 47 N -0.58 0.00 -0.04 -0.41 -0.04 -1.26 -4.90 135.00 127.76 2khs n PRO 47 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 2khs n PRO 47 Cb 0.00 -1.34 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 2khs n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2khs n LYS 48 N 3.62 0.36 -0.02 0.54 4.01 -1.26 -4.70 118.16 120.71 2khs n LYS 48 Ca 0.28 0.05 -0.17 0.00 -0.51 0.00 0.00 58.31 57.95 2khs n LYS 48 Cb -0.05 -1.17 -0.14 0.00 -0.51 0.00 0.00 35.03 33.16 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2khs n LYS 49 N -2.72 0.71 0.00 1.97 4.76 -1.26 -4.99 118.16 116.63 2khs n LYS 49 Ca -0.15 0.24 0.00 0.00 -2.87 0.00 0.00 58.31 55.53 2khs n LYS 49 Cb 0.67 -1.70 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 2khs n LYS 49 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 50 N 1.91 4.06 2.61 0.72 0.00 -1.26 -5.00 105.19 108.23 2khs n GLY 50 Ca -0.30 -0.69 -0.25 0.00 0.00 0.00 0.00 46.02 44.78 2khs n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2khs s VAL 51 N 0.00 -0.14 -0.17 1.61 -7.23 -1.26 -4.62 120.40 108.59 2khs s VAL 51 Ca 0.00 -0.43 -0.13 0.00 -1.81 0.00 0.00 61.98 59.60 2khs s VAL 51 Cb 0.00 -0.79 -0.08 0.00 0.56 0.00 0.00 36.38 36.07 2khs s VAL 51 CO 0.00 -0.47 -0.10 -0.62 -0.31 0.00 0.00 175.10 173.59 2khs n GLU 52 N 5.28 0.50 0.06 4.82 4.71 -1.26 -4.41 120.64 130.34 2khs n GLU 52 Ca -0.06 0.50 0.12 0.00 -0.01 0.00 0.00 57.16 57.71 2khs n GLU 52 Cb 0.46 -1.67 0.21 0.00 -1.01 0.00 0.00 31.44 29.42 2khs n GLU 52 CO 0.00 0.00 0.00 0.36 0.09 0.00 0.00 177.13 177.58 2khs n LYS 53 N -4.54 0.28 -1.70 3.49 2.85 -1.26 -5.00 118.16 112.28 2khs n LYS 53 Ca -0.17 0.10 -0.01 0.00 -1.05 0.00 0.00 58.31 57.19 2khs n LYS 53 Cb 0.43 -1.70 0.00 0.00 -0.65 0.00 0.00 35.03 33.11 2khs n LYS 53 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 177.40 178.01 2khs n TYR 54 N -2.11 -0.62 0.40 5.58 4.01 -1.26 -4.83 117.16 118.33 2khs n TYR 54 Ca 0.04 0.26 -0.19 0.00 -0.16 0.00 0.00 57.90 57.85 2khs n TYR 54 Cb 0.43 -1.91 -0.09 0.00 -0.31 0.00 0.00 39.34 37.46 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 0.43 -1.19 0.59 2.72 0.00 -1.92 -2.82 103.07 100.87 2khs h GLY 55 Ca 0.00 0.49 0.16 0.00 0.00 0.00 0.00 47.33 47.97 2khs h GLY 55 CO 0.02 -0.41 0.53 -2.55 0.00 0.00 0.00 176.54 174.13 2khs h PRO 56 N -1.09 0.46 -0.50 4.80 0.11 -1.94 -0.60 132.00 133.24 2khs h PRO 56 Ca -0.09 -0.03 -0.10 0.00 0.11 0.00 0.00 66.00 65.89 2khs h PRO 56 Cb 0.87 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 31.86 2khs h PRO 56 CO 0.10 0.30 -0.07 1.49 -0.21 0.00 0.00 178.00 179.61 2khs h GLU 57 N 0.47 0.90 -0.07 1.05 4.57 -1.91 0.82 114.58 120.41 2khs h GLU 57 Ca 0.40 -0.29 -0.02 0.00 -1.18 0.00 0.00 59.36 58.27 2khs h GLU 57 Cb 0.87 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 29.39 2khs h GLU 57 CO -0.15 0.94 -0.05 0.00 -1.18 0.00 0.00 179.01 178.57 2khs h ALA 58 N 1.10 0.10 -0.98 2.92 0.00 -0.89 -2.66 119.26 118.85 2khs h ALA 58 Ca 0.14 -0.25 0.06 0.00 0.00 0.00 0.00 54.91 54.85 2khs h ALA 58 Cb 0.58 -0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2khs h ALA 58 CO 0.04 -0.13 0.64 0.77 0.00 0.00 0.00 179.25 180.56 2khs h SER 59 N -0.25 1.02 -0.32 0.00 0.02 -1.08 -1.29 113.55 111.66 2khs h SER 59 Ca 0.01 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.93 2khs h SER 59 Cb 0.51 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.82 2khs h SER 59 CO 0.01 0.67 0.09 0.00 -1.14 0.00 0.00 176.83 176.46 2khs h ALA 60 N 1.46 1.41 -0.32 3.77 0.00 -0.75 -0.82 119.26 124.01 2khs h ALA 60 Ca 0.41 -0.16 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 2khs h ALA 60 Cb 0.13 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2khs h ALA 60 CO -0.15 0.43 -0.30 0.35 0.00 0.00 0.00 179.25 179.57 2khs h PHE 61 N 0.58 0.92 -0.23 0.00 3.04 -0.89 0.31 116.94 120.67 2khs h PHE 61 Ca 0.13 -0.27 0.01 0.00 3.98 0.00 0.00 57.97 61.82 2khs h PHE 61 Cb 0.23 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.53 2khs h PHE 61 CO 0.01 1.04 0.13 1.15 -2.02 0.00 0.00 178.31 178.61 2khs h THR 62 N 0.54 1.02 -0.09 4.41 2.02 -1.03 -0.97 112.91 118.81 2khs h THR 62 Ca 0.05 -0.09 0.04 0.00 0.77 0.00 0.00 66.41 67.18 2khs h THR 62 Cb 0.87 0.73 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 2khs h THR 62 CO 0.08 0.05 -0.15 0.11 0.37 0.00 0.00 175.52 175.98 2khs h LYS 63 N 0.27 -0.19 -0.31 6.66 1.57 -0.87 -1.36 116.57 122.34 2khs h LYS 63 Ca 0.09 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.83 2khs h LYS 63 Cb -0.00 0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2khs h LYS 63 CO -0.04 -0.13 -0.03 0.87 -0.57 0.00 0.00 179.45 179.54 2khs h LYS 64 N -0.20 0.49 -0.07 3.15 1.57 -0.75 0.14 116.57 120.89 2khs h LYS 64 Ca 0.08 -0.11 -0.04 0.00 -1.87 0.00 0.00 60.65 58.72 2khs h LYS 64 Cb 0.31 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.55 2khs h LYS 64 CO -0.21 0.54 -0.09 0.52 -0.57 0.00 0.00 179.45 179.64 2khs h MET 65 N 0.46 0.19 -0.03 3.15 2.86 -0.79 -2.70 114.93 118.08 2khs h MET 65 Ca 0.10 -0.11 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 2khs h MET 65 Cb 0.36 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.03 2khs h MET 65 CO 0.01 0.65 -0.90 -0.39 1.06 0.00 0.00 176.91 177.35 2khs h VAL 66 N -0.26 1.37 0.00 -2.22 -1.51 -1.03 -2.00 116.25 110.60 2khs h VAL 66 Ca 0.01 -2.32 -0.06 0.00 -1.23 0.00 0.00 66.70 63.10 2khs h VAL 66 Cb 0.63 2.31 -0.01 0.00 -2.13 0.00 0.00 31.29 32.09 2khs h VAL 66 CO 0.02 0.70 -0.30 -0.33 -1.23 0.00 0.00 177.57 176.43 2khs h GLU 67 N 0.29 0.00 0.19 5.19 5.08 -0.84 -3.12 114.58 121.37 2khs h GLU 67 Ca -0.07 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 57.97 2khs h GLU 67 Cb 1.52 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.81 2khs h GLU 67 CO 0.16 0.30 -1.34 -0.97 -1.00 0.00 0.00 179.01 176.17 2khs h ASN 68 N 0.00 0.85 -2.63 1.42 -0.73 -1.45 -3.46 115.58 109.58 2khs h ASN 68 Ca -0.00 -0.88 -0.57 0.00 1.87 0.00 0.00 56.30 56.72 2khs h ASN 68 Cb 1.00 -0.27 0.07 0.00 0.27 0.00 0.00 38.32 39.39 2khs h ASN 68 CO 0.04 1.65 0.76 0.00 -0.37 0.00 0.00 177.43 179.51 2khs n ALA 69 N -2.70 1.61 -0.04 1.57 0.00 -0.75 -4.92 120.51 115.28 2khs n ALA 69 Ca -0.15 0.42 -0.13 0.00 0.00 0.00 0.00 53.44 53.57 2khs n ALA 69 Cb 1.03 -2.36 -0.11 0.00 0.00 0.00 0.00 19.45 18.02 2khs n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2khs h LYS 70 N 5.16 -0.01 -4.93 0.00 6.56 -1.90 -3.43 116.57 118.02 2khs h LYS 70 Ca -0.45 0.00 -0.65 0.00 -1.06 0.00 0.00 60.65 58.49 2khs h LYS 70 Cb 1.25 0.00 -0.21 0.00 -0.57 0.00 0.00 32.23 32.71 2khs h LYS 70 CO 0.83 0.72 -0.59 0.15 -2.06 0.00 0.00 179.45 178.50 2khs s LYS 71 N -3.19 3.74 -0.20 3.15 1.02 -1.26 -4.98 119.74 118.02 2khs s LYS 71 Ca -0.17 -0.44 -0.09 0.00 0.02 0.00 0.00 55.97 55.30 2khs s LYS 71 Cb -0.01 -3.43 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2khs s LYS 71 CO 0.66 -0.19 0.09 0.42 -0.92 0.00 0.00 175.35 175.42 2khs s ILE 72 N 1.66 5.01 -0.02 2.17 1.01 -1.26 0.15 121.20 129.93 2khs s ILE 72 Ca 0.07 0.05 0.07 0.00 0.00 0.00 0.00 60.65 60.83 2khs s ILE 72 Cb -0.15 -3.28 -0.02 0.00 0.01 0.00 0.00 42.46 39.02 2khs s ILE 72 CO 0.06 0.44 -0.23 -1.61 0.00 0.00 0.00 174.94 173.60 2khs s GLU 73 N 0.50 1.91 -0.14 2.79 2.02 -0.52 -0.18 118.70 125.09 2khs s GLU 73 Ca 0.05 -0.81 -0.01 0.00 0.02 0.00 0.00 54.97 54.23 2khs s GLU 73 Cb -0.12 -1.81 -0.01 0.00 0.10 0.00 0.00 34.13 32.29 2khs s GLU 73 CO 0.00 0.46 -0.12 0.14 0.02 0.00 0.00 175.26 175.76 2khs s VAL 74 N -0.45 3.11 -0.20 2.63 -7.23 0.19 -0.93 120.40 117.52 2khs s VAL 74 Ca 0.07 -0.63 0.01 0.00 -1.81 0.00 0.00 61.98 59.61 2khs s VAL 74 Cb -0.09 -2.32 0.04 0.00 0.56 0.00 0.00 36.38 34.56 2khs s VAL 74 CO -0.00 0.51 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.47 2khs s GLU 75 N 0.49 2.32 -0.19 4.82 2.12 -0.32 -0.86 118.70 127.08 2khs s GLU 75 Ca -0.08 -0.89 -0.19 0.00 0.36 0.00 0.00 54.97 54.17 2khs s GLU 75 Cb -0.16 -2.49 -0.03 0.00 0.26 0.00 0.00 34.13 31.71 2khs s GLU 75 CO 0.04 -0.38 0.52 -0.59 -0.54 0.00 0.00 175.26 174.31 2khs s PHE 76 N 1.33 3.39 0.71 5.30 -0.12 -0.70 -0.42 117.98 127.47 2khs s PHE 76 Ca -0.00 0.80 -0.01 0.00 -0.05 0.00 0.00 56.93 57.66 2khs s PHE 76 Cb -0.16 -2.66 0.12 0.00 -0.63 0.00 0.00 43.02 39.69 2khs s PHE 76 CO -0.09 -0.07 0.98 0.34 -0.05 0.00 0.00 175.22 176.33 2khs s ASP 77 N 1.09 4.43 0.00 1.98 2.15 -1.26 -3.63 116.67 121.43 2khs s ASP 77 Ca 0.25 -0.30 0.29 0.00 0.43 0.00 0.00 52.55 53.22 2khs s ASP 77 Cb -0.15 -0.13 1.36 0.00 -0.30 0.00 0.00 42.92 43.70 2khs s ASP 77 CO 0.10 -1.80 1.95 2.29 -0.17 0.00 0.00 175.17 177.54 2khs n LYS 78 N -2.80 0.50 0.00 4.34 2.85 -1.26 -4.69 118.16 117.09 2khs n LYS 78 Ca 0.14 -0.09 0.00 0.00 -1.05 0.00 0.00 58.31 57.31 2khs n LYS 78 Cb 0.60 -1.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.49 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2khs n GLY 79 N 1.30 0.95 3.66 2.58 0.00 -1.26 -4.76 105.19 107.67 2khs n GLY 79 Ca 0.14 -1.16 -0.43 0.00 0.00 0.00 0.00 46.02 44.57 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 0.43 4.24 0.00 1.61 1.11 -1.26 -4.84 119.66 120.95 2khs s GLN 80 Ca 0.00 1.73 0.12 0.00 0.01 0.00 0.00 55.36 57.22 2khs s GLN 80 Cb 0.00 -3.76 -0.09 0.00 -1.01 0.00 0.00 33.01 28.16 2khs s GLN 80 CO 0.00 -0.69 0.59 -2.13 0.01 0.00 0.00 175.29 173.08 2khs n ARG 81 N 6.45 2.62 -3.90 2.91 0.63 -1.26 -4.64 116.66 119.46 2khs n ARG 81 Ca 0.14 -0.24 -0.12 0.00 -0.92 0.00 0.00 57.85 56.71 2khs n ARG 81 Cb 0.45 -1.11 -0.14 0.00 0.45 0.00 0.00 32.46 32.11 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 -1.96 0.03 -0.15 5.15 -4.23 -1.26 -1.13 115.64 112.09 2khs s THR 82 Ca 0.07 -0.11 -0.07 0.00 -1.18 0.00 0.00 61.69 60.40 2khs s THR 82 Cb 0.10 -0.06 -0.04 0.00 1.34 0.00 0.00 72.50 73.84 2khs s THR 82 CO 0.44 -0.05 0.08 -0.62 -0.54 0.00 0.00 174.62 173.93 2khs s ASP 83 N -0.17 5.82 0.42 3.99 2.15 0.32 -4.88 116.67 124.32 2khs s ASP 83 Ca -0.02 0.21 0.28 0.00 0.43 0.00 0.00 52.55 53.45 2khs s ASP 83 Cb -0.01 -1.92 1.53 0.00 -0.30 0.00 0.00 42.92 42.22 2khs s ASP 83 CO -0.00 0.27 1.87 0.50 -0.17 0.00 0.00 175.17 177.64 2khs h LYS 84 N 6.00 0.00 0.00 4.34 3.64 -2.01 0.16 116.57 128.70 2khs h LYS 84 Ca -0.44 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 58.92 2khs h LYS 84 Cb 1.18 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.00 2khs h LYS 84 CO 0.65 0.00 -0.09 -0.92 -2.27 0.00 0.00 179.45 176.83 2khs h TYR 85 N 0.00 0.00 0.00 1.91 3.20 -2.04 -3.46 116.97 116.58 2khs h TYR 85 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2khs h TYR 85 Cb 0.02 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.29 2khs h TYR 85 CO 0.00 0.09 0.00 0.41 -1.64 0.00 0.00 178.16 177.02 2khs n GLY 86 N -0.20 0.71 3.07 1.82 0.00 0.51 -5.14 105.19 105.97 2khs n GLY 86 Ca -0.00 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.64 0.55 0.18 1.61 0.52 -0.97 -4.75 118.95 115.44 2khs s ARG 87 Ca 0.00 -0.79 -0.07 0.00 -0.52 0.00 0.00 55.73 54.34 2khs s ARG 87 Cb 0.00 -0.30 -0.06 0.00 0.52 0.00 0.00 34.95 35.11 2khs s ARG 87 CO 0.00 0.05 0.45 0.20 0.02 0.00 0.00 175.30 176.02 2khs s GLY 88 N -1.66 2.26 -0.15 -3.53 0.00 0.11 -0.52 107.32 103.82 2khs s GLY 88 Ca -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.21 2khs s GLY 88 CO 0.00 -0.31 -0.16 1.08 0.00 0.00 0.00 173.10 173.71 2khs s LEU 89 N -2.68 1.78 0.21 0.66 1.43 -0.28 -1.01 118.68 118.79 2khs s LEU 89 Ca 0.43 -0.52 -0.11 0.00 -1.03 0.00 0.00 54.13 52.90 2khs s LEU 89 Cb -0.12 -1.24 -0.00 0.00 0.03 0.00 0.00 46.19 44.86 2khs s LEU 89 CO 0.23 -0.04 0.39 0.00 0.23 0.00 0.00 176.35 177.16 2khs s ALA 90 N 1.41 -0.16 -0.10 4.21 0.00 -0.96 -4.50 121.76 121.66 2khs s ALA 90 Ca 0.04 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 51.01 2khs s ALA 90 Cb -0.13 0.98 -0.05 0.00 0.00 0.00 0.00 23.12 23.92 2khs s ALA 90 CO -0.11 -0.75 0.37 -0.47 0.00 0.00 0.00 175.76 174.81 2khs s TYR 91 N -3.99 3.55 -0.22 0.00 6.14 0.44 -0.72 117.35 122.55 2khs s TYR 91 Ca 0.20 0.79 -0.08 0.00 0.64 0.00 0.00 57.07 58.61 2khs s TYR 91 Cb 0.01 -2.38 -0.04 0.00 0.42 0.00 0.00 41.96 39.98 2khs s TYR 91 CO 0.04 0.34 0.09 0.42 0.64 0.00 0.00 175.55 177.09 2khs s ILE 92 N 0.06 4.82 -0.13 3.14 -1.09 -1.26 -1.17 121.20 125.56 2khs s ILE 92 Ca 0.21 -0.01 -0.02 0.00 -2.23 0.00 0.00 60.65 58.60 2khs s ILE 92 Cb -0.15 -3.22 -0.03 0.00 -1.58 0.00 0.00 42.46 37.49 2khs s ILE 92 CO 0.08 0.39 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.82 2khs s TYR 93 N 0.97 3.00 -0.44 3.97 1.51 -0.10 -2.08 117.35 124.16 2khs s TYR 93 Ca 0.05 -0.21 -0.10 0.00 -1.01 0.00 0.00 57.07 55.80 2khs s TYR 93 Cb -0.14 -1.88 0.09 0.00 -0.11 0.00 0.00 41.96 39.93 2khs s TYR 93 CO 0.03 0.08 0.31 0.00 -1.11 0.00 0.00 175.55 174.86 2khs s ALA 94 N -0.02 3.37 -1.69 3.71 0.00 0.18 -1.44 121.76 125.86 2khs s ALA 94 Ca 0.01 -2.26 -0.18 0.00 0.00 0.00 0.00 51.96 49.52 2khs s ALA 94 Cb -0.13 -2.78 0.15 0.00 0.00 0.00 0.00 23.12 20.36 2khs s ALA 94 CO 0.03 -1.74 0.79 -3.47 0.00 0.00 0.00 175.76 171.36 2khs n ASP 95 N 4.97 -3.28 0.00 0.00 2.03 0.12 -0.75 116.55 119.64 2khs n ASP 95 Ca -0.10 -1.00 0.00 0.00 0.52 0.00 0.00 54.79 54.21 2khs n ASP 95 Cb 0.42 -2.80 0.00 0.00 -0.72 0.00 0.00 41.12 38.02 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 -1.43 2.62 3.96 0.27 0.00 -1.26 -4.91 105.19 104.43 2khs n GLY 96 Ca 0.06 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.86 2khs n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs s LYS 97 N -0.34 3.43 -0.33 1.61 1.02 0.07 -5.04 119.74 120.15 2khs s LYS 97 Ca 0.00 -0.56 -0.19 0.00 0.02 0.00 0.00 55.97 55.24 2khs s LYS 97 Cb 0.00 -2.77 -0.01 0.00 -0.52 0.00 0.00 37.83 34.54 2khs s LYS 97 CO 0.00 0.25 0.55 -1.64 -0.92 0.00 0.00 175.35 173.59 2khs s MET 98 N -4.17 3.76 -0.01 1.68 -1.94 -1.26 0.47 119.30 117.82 2khs s MET 98 Ca 0.38 0.03 -0.22 0.00 -1.71 0.00 0.00 55.69 54.17 2khs s MET 98 Cb -0.09 -3.77 -0.20 0.00 2.01 0.00 0.00 34.83 32.78 2khs s MET 98 CO 0.33 -0.59 1.18 0.28 -0.01 0.00 0.00 175.02 176.20 2khs h VAL 99 N 5.58 1.44 -0.21 -6.03 2.07 -1.78 -2.97 116.25 114.35 2khs h VAL 99 Ca -0.28 -1.66 0.05 0.00 0.82 0.00 0.00 66.70 65.63 2khs h VAL 99 Cb 1.12 2.36 -0.05 0.00 -1.52 0.00 0.00 31.29 33.20 2khs h VAL 99 CO 0.78 0.47 -0.11 0.78 0.02 0.00 0.00 177.57 179.50 2khs h ASN 100 N -0.26 -0.37 0.96 0.57 4.21 -1.93 -0.56 115.58 118.21 2khs h ASN 100 Ca -0.01 0.09 -0.12 0.00 1.21 0.00 0.00 56.30 57.47 2khs h ASN 100 Cb 0.88 0.20 -0.02 0.00 -1.12 0.00 0.00 38.32 38.27 2khs h ASN 100 CO 0.05 -0.14 -0.56 1.05 -1.29 0.00 0.00 177.43 176.54 2khs h GLU 101 N -0.09 0.00 -0.81 0.81 4.11 -1.94 -3.00 114.58 113.66 2khs h GLU 101 Ca 0.12 0.00 -0.04 0.00 0.07 0.00 0.00 59.36 59.51 2khs h GLU 101 Cb 0.26 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.48 2khs h GLU 101 CO -0.27 0.56 0.35 0.00 0.07 0.00 0.00 179.01 179.72 2khs h ALA 102 N 1.44 1.09 -0.51 1.06 0.00 -1.09 0.30 119.26 121.55 2khs h ALA 102 Ca -0.01 -0.18 0.05 0.00 0.00 0.00 0.00 54.91 54.77 2khs h ALA 102 Cb 1.19 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2khs h ALA 102 CO 0.07 0.66 0.24 -0.07 0.00 0.00 0.00 179.25 180.16 2khs h LEU 103 N 1.17 0.33 -0.41 0.00 3.38 -1.02 -1.91 115.31 116.85 2khs h LEU 103 Ca 0.27 0.04 -0.18 0.00 0.09 0.00 0.00 57.88 58.10 2khs h LEU 103 Cb 0.18 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.90 2khs h LEU 103 CO -0.03 0.23 -0.71 0.58 0.09 0.00 0.00 178.44 178.60 2khs h VAL 104 N 0.47 1.37 -0.89 1.22 2.07 -1.33 0.14 116.25 119.29 2khs h VAL 104 Ca 0.23 -2.08 0.09 0.00 0.82 0.00 0.00 66.70 65.75 2khs h VAL 104 Cb 0.17 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 31.92 2khs h VAL 104 CO -0.18 0.63 0.54 0.03 0.02 0.00 0.00 177.57 178.61 2khs h ARG 105 N 0.31 0.90 -0.05 1.57 2.47 0.04 -0.25 114.38 119.38 2khs h ARG 105 Ca -0.03 -0.05 0.00 0.00 -1.26 0.00 0.00 59.98 58.64 2khs h ARG 105 Cb 1.28 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.40 2khs h ARG 105 CO 0.12 0.60 0.00 1.04 0.56 0.00 0.00 179.97 182.29 2khs n GLN 106 N -4.65 1.50 -2.81 0.04 3.00 -0.76 -4.92 117.38 108.77 2khs n GLN 106 Ca 0.14 -0.73 -0.11 0.00 -0.01 0.00 0.00 57.00 56.29 2khs n GLN 106 Cb 0.25 -1.45 0.03 0.00 0.00 0.00 0.00 30.24 29.07 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2khs n GLY 107 N 1.10 0.15 0.07 1.08 0.00 -0.10 -4.92 105.19 102.57 2khs n GLY 107 Ca 0.19 -0.28 0.07 0.00 0.00 0.00 0.00 46.02 45.99 2khs n GLY 107 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2khs n LEU 108 N -2.38 0.86 -3.82 0.99 4.77 0.45 -4.98 117.00 112.89 2khs n LEU 108 Ca -0.03 -0.56 -0.11 0.00 -0.03 0.00 0.00 56.01 55.28 2khs n LEU 108 Cb 0.55 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.55 2khs n LEU 108 CO 0.27 0.20 -0.07 0.00 -1.33 0.00 0.00 177.39 176.46 2khs s ALA 109 N -2.22 -0.45 0.35 -1.18 0.00 -1.11 -4.70 121.76 112.45 2khs s ALA 109 Ca 0.07 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.93 2khs s ALA 109 Cb 0.11 0.27 -0.02 0.00 0.00 0.00 0.00 23.12 23.48 2khs s ALA 109 CO 0.54 -0.36 0.34 0.15 0.00 0.00 0.00 175.76 176.43 2khs s LYS 110 N -2.43 2.74 -0.20 0.00 1.02 0.38 -4.24 119.74 117.01 2khs s LYS 110 Ca -0.06 -1.30 -0.23 0.00 0.02 0.00 0.00 55.97 54.40 2khs s LYS 110 Cb -0.02 -2.51 -0.02 0.00 -0.52 0.00 0.00 37.83 34.76 2khs s LYS 110 CO -0.03 0.02 0.73 0.54 -0.92 0.00 0.00 175.35 175.69 2khs s VAL 111 N -2.32 4.94 -0.25 3.17 0.11 -1.26 -0.95 120.40 123.83 2khs s VAL 111 Ca 0.43 1.39 -0.16 0.00 -2.93 0.00 0.00 61.98 60.71 2khs s VAL 111 Cb -0.06 -4.03 -0.03 0.00 -1.53 0.00 0.00 36.38 30.72 2khs s VAL 111 CO 0.28 0.05 0.42 0.00 -3.33 0.00 0.00 175.10 172.52 2khs s ALA 112 N 2.20 3.57 -0.41 1.54 0.00 0.04 -4.84 121.76 123.86 2khs s ALA 112 Ca 0.33 -0.69 -0.26 0.00 0.00 0.00 0.00 51.96 51.33 2khs s ALA 112 Cb -0.16 -2.76 0.02 0.00 0.00 0.00 0.00 23.12 20.23 2khs s ALA 112 CO 0.10 -0.62 0.97 1.52 0.00 0.00 0.00 175.76 177.73 2khs s TYR 113 N 2.01 2.99 -0.15 0.00 -0.85 -1.26 -3.76 117.35 116.33 2khs s TYR 113 Ca 0.18 0.66 -0.22 0.00 -0.52 0.00 0.00 57.07 57.17 2khs s TYR 113 Cb -0.16 -3.88 -0.03 0.00 0.38 0.00 0.00 41.96 38.28 2khs s TYR 113 CO 0.09 -0.98 0.66 0.08 -1.52 0.00 0.00 175.55 173.88 2khs s VAL 114 N 3.73 5.03 0.17 -3.49 1.01 -1.26 -5.04 120.40 120.55 2khs s VAL 114 Ca 0.40 1.29 -0.04 0.00 0.00 0.00 0.00 61.98 63.63 2khs s VAL 114 Cb -0.11 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.24 2khs s VAL 114 CO 0.23 0.17 0.40 -0.72 0.00 0.00 0.00 175.10 175.18 2khs s TYR 115 N 1.47 3.47 -0.06 5.22 -0.85 -1.26 -4.99 117.35 120.34 2khs s TYR 115 Ca 0.32 0.55 -0.30 0.00 -0.52 0.00 0.00 57.07 57.12 2khs s TYR 115 Cb -0.16 -2.00 -0.02 0.00 0.38 0.00 0.00 41.96 40.15 2khs s TYR 115 CO 0.13 0.39 1.08 0.21 -1.52 0.00 0.00 175.55 175.84 2khs s LYS 116 N -2.86 4.42 0.74 -3.49 2.20 -1.26 -4.26 119.74 115.23 2khs s LYS 116 Ca 0.41 1.52 -0.13 0.00 -0.36 0.00 0.00 55.97 57.41 2khs s LYS 116 Cb -0.12 -3.52 0.18 0.00 -1.51 0.00 0.00 37.83 32.85 2khs s LYS 116 CO 0.26 -0.32 0.90 -0.35 -0.36 0.00 0.00 175.35 175.47 2khs n PRO 117 N 4.85 -1.37 -3.45 4.03 -0.04 -1.26 -4.98 135.00 132.79 2khs n PRO 117 Ca 0.09 -1.40 -0.43 0.00 -0.04 0.00 0.00 63.50 61.72 2khs n PRO 117 Cb 0.48 -1.02 -0.09 0.00 -0.04 0.00 0.00 33.50 32.83 2khs n PRO 117 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2khs s ASN 118 N -4.21 6.04 -0.45 3.54 0.01 -1.26 -4.98 114.94 113.63 2khs s ASN 118 Ca 0.53 -1.20 0.01 0.00 -0.71 0.00 0.00 52.86 51.48 2khs s ASN 118 Cb -0.02 -2.14 0.12 0.00 0.41 0.00 0.00 41.25 39.62 2khs s ASN 118 CO 0.38 -0.56 0.21 0.20 -1.51 0.00 0.00 177.10 175.82 2khs s ASN 119 N 2.20 4.92 0.00 -1.22 0.01 -1.26 -4.75 114.94 114.84 2khs s ASN 119 Ca 0.04 -2.41 0.00 0.00 -0.71 0.00 0.00 52.86 49.78 2khs s ASN 119 Cb -0.22 -1.73 0.00 0.00 0.41 0.00 0.00 41.25 39.70 2khs s ASN 119 CO 0.07 -0.40 0.00 0.41 -1.51 0.00 0.00 177.10 175.67 2khs n THR 120 N 4.00 0.00 -0.66 1.60 -1.04 -1.26 -5.32 114.28 111.60 2khs n THR 120 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 2khs n THR 120 Cb 0.39 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.90 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00