#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 0.19 0.64 0.00 -1.04 -1.26 -1.06 114.28 111.75 2khs n THR 2 Ca 0.00 0.05 0.13 0.00 -2.04 0.00 0.00 64.05 62.18 2khs n THR 2 Cb 0.00 -0.65 0.45 0.00 -1.82 0.00 0.00 70.33 68.31 2khs n THR 2 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2khs n SER 3 N -1.22 0.63 -3.05 8.00 7.64 -1.26 -4.99 113.62 119.38 2khs n SER 3 Ca 0.13 0.58 -0.07 0.00 1.01 0.00 0.00 58.87 60.52 2khs n SER 3 Cb 0.17 -0.74 0.01 0.00 -1.01 0.00 0.00 64.21 62.63 2khs n SER 3 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2khs n THR 4 N -2.11 -6.72 -1.90 0.44 -2.24 -0.22 -4.83 114.28 96.70 2khs n THR 4 Ca 0.05 0.93 -0.39 0.00 -2.27 0.00 0.00 64.05 62.37 2khs n THR 4 Cb 0.37 -4.91 -0.01 0.00 -2.10 0.00 0.00 70.33 63.68 2khs n THR 4 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2khs n LYS 5 N 0.67 4.34 -3.61 -0.78 2.85 -1.26 -4.47 118.16 115.91 2khs n LYS 5 Ca 0.00 -3.27 -0.01 0.00 -1.05 0.00 0.00 58.31 53.98 2khs n LYS 5 Cb 0.36 -2.59 -0.04 0.00 -0.65 0.00 0.00 35.03 32.11 2khs n LYS 5 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 2khs s LYS 6 N -0.99 0.58 0.00 -1.58 2.36 -1.26 -5.16 119.74 113.69 2khs s LYS 6 Ca 0.56 1.42 0.00 0.00 -2.55 0.00 0.00 55.97 55.40 2khs s LYS 6 Cb 0.20 0.85 0.00 0.00 -1.05 0.00 0.00 37.83 37.83 2khs s LYS 6 CO -0.10 -0.24 0.00 1.28 1.55 0.00 0.00 175.35 177.84 2khs n LEU 7 N 5.45 0.00 -4.16 5.43 4.32 -1.26 -5.02 117.00 121.75 2khs n LEU 7 Ca -0.11 0.00 -0.36 0.00 -0.02 0.00 0.00 56.01 55.52 2khs n LEU 7 Cb 0.49 0.00 -0.12 0.00 -1.62 0.00 0.00 43.42 42.17 2khs n LEU 7 CO -0.03 0.00 -0.21 -1.00 -1.22 0.00 0.00 177.39 174.92 2khs s HIS 8 N 1.51 3.46 -0.30 -1.77 3.76 -1.02 -4.97 115.29 115.96 2khs s HIS 8 Ca 0.00 -2.11 -0.17 0.00 -0.15 0.00 0.00 55.06 52.63 2khs s HIS 8 Cb 0.00 -2.85 -0.02 0.00 1.11 0.00 0.00 32.58 30.82 2khs s HIS 8 CO 0.00 -0.90 0.47 0.15 -0.85 0.00 0.00 174.74 173.61 2khs s LYS 9 N 1.22 3.87 -0.02 1.40 1.02 -1.26 -0.47 119.74 125.50 2khs s LYS 9 Ca 0.04 0.04 0.05 0.00 0.02 0.00 0.00 55.97 56.11 2khs s LYS 9 Cb -0.22 -3.72 -0.01 0.00 -0.52 0.00 0.00 37.83 33.36 2khs s LYS 9 CO -0.02 -0.45 -0.16 -1.83 -0.92 0.00 0.00 175.35 171.97 2khs s GLU 10 N 2.27 1.33 0.40 1.68 -1.05 0.10 -4.89 118.70 118.54 2khs s GLU 10 Ca 0.18 -0.56 -0.26 0.00 -0.15 0.00 0.00 54.97 54.19 2khs s GLU 10 Cb -0.16 -1.26 -0.09 0.00 -0.44 0.00 0.00 34.13 32.19 2khs s GLU 10 CO 0.11 0.31 1.25 -2.14 0.95 0.00 0.00 175.26 175.74 2khs s PRO 11 N -0.28 4.03 0.11 -4.83 0.02 -1.26 -0.37 135.00 132.42 2khs s PRO 11 Ca 0.04 2.03 0.03 0.00 0.02 0.00 0.00 61.00 63.12 2khs s PRO 11 Cb -0.07 -2.75 -0.04 0.00 0.02 0.00 0.00 34.50 31.66 2khs s PRO 11 CO -0.00 -0.40 -0.08 0.00 -0.33 0.00 0.00 177.00 176.19 2khs s ALA 12 N -1.31 1.11 -0.08 -1.55 0.00 0.11 -4.40 121.76 115.64 2khs s ALA 12 Ca 0.56 -1.36 -0.11 0.00 0.00 0.00 0.00 51.96 51.06 2khs s ALA 12 Cb -0.35 0.11 -0.05 0.00 0.00 0.00 0.00 23.12 22.83 2khs s ALA 12 CO 0.45 -0.17 0.26 0.99 0.00 0.00 0.00 175.76 177.29 2khs s THR 13 N -3.37 5.29 -0.17 0.00 2.01 0.22 -3.91 115.64 115.73 2khs s THR 13 Ca 0.12 0.50 -0.25 0.00 0.31 0.00 0.00 61.69 62.37 2khs s THR 13 Cb 0.03 -3.55 -0.02 0.00 0.01 0.00 0.00 72.50 68.97 2khs s THR 13 CO -0.03 0.57 0.80 -0.22 -0.69 0.00 0.00 174.62 175.06 2khs s LEU 14 N -0.84 4.18 -0.16 4.42 2.96 -1.26 -0.32 118.68 127.66 2khs s LEU 14 Ca 0.18 1.14 -0.20 0.00 -0.22 0.00 0.00 54.13 55.04 2khs s LEU 14 Cb -0.14 -3.19 -0.17 0.00 0.50 0.00 0.00 46.19 43.19 2khs s LEU 14 CO 0.08 -0.37 0.35 0.40 -1.32 0.00 0.00 176.35 175.48 2khs h ILE 15 N 5.16 1.00 -1.10 6.68 2.04 -1.40 -3.47 117.51 126.43 2khs h ILE 15 Ca -0.30 -1.93 0.34 0.00 1.00 0.00 0.00 64.86 63.98 2khs h ILE 15 Cb 1.14 2.07 -0.18 0.00 -0.74 0.00 0.00 36.82 39.11 2khs h ILE 15 CO 0.82 0.34 0.96 -1.59 0.00 0.00 0.00 178.15 178.69 2khs s LYS 16 N -2.18 0.07 -0.19 2.37 -2.85 -0.94 -5.03 119.74 110.99 2khs s LYS 16 Ca -0.19 -0.03 -0.06 0.00 -1.00 0.00 0.00 55.97 54.69 2khs s LYS 16 Cb 0.01 0.03 -0.03 0.00 -2.06 0.00 0.00 37.83 35.78 2khs s LYS 16 CO 0.50 -0.03 0.02 0.00 0.10 0.00 0.00 175.35 175.93 2khs s ALA 17 N -2.09 3.12 -0.05 0.59 0.00 -1.26 -0.15 121.76 121.92 2khs s ALA 17 Ca 0.13 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.14 2khs s ALA 17 Cb 0.02 -1.80 -0.01 0.00 0.00 0.00 0.00 23.12 21.33 2khs s ALA 17 CO -0.04 -0.06 0.10 0.82 0.00 0.00 0.00 175.76 176.58 2khs h ILE 18 N 5.26 0.00 -3.16 0.00 1.08 -1.42 -3.48 117.51 115.79 2khs h ILE 18 Ca -0.35 -0.54 0.00 0.00 -0.39 0.00 0.00 64.86 63.57 2khs h ILE 18 Cb 1.18 0.00 0.00 0.00 -3.07 0.00 0.00 36.82 34.93 2khs h ILE 18 CO 0.63 0.00 0.00 0.47 -0.69 0.00 0.00 178.15 178.56 2khs n ASP 19 N -3.67 1.32 -1.98 1.72 8.00 -0.34 -4.97 116.55 116.63 2khs n ASP 19 Ca -0.01 -0.16 -0.14 0.00 0.71 0.00 0.00 54.79 55.19 2khs n ASP 19 Cb 0.02 0.00 0.21 0.00 -0.02 0.00 0.00 41.12 41.34 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 5.00 3.81 2.04 0.44 0.00 -1.26 -4.41 105.19 110.80 2khs n GLY 20 Ca 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.53 -0.78 -4.70 1.61 2.03 -1.26 -4.78 116.55 108.13 2khs n ASP 21 Ca 0.45 0.46 -0.41 0.00 0.52 0.00 0.00 54.79 55.81 2khs n ASP 21 Cb 1.41 0.90 -0.04 0.00 -0.72 0.00 0.00 41.12 42.67 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 -1.78 4.94 0.10 5.18 2.01 -1.26 -1.58 115.64 123.25 2khs s THR 22 Ca 0.00 1.70 0.04 0.00 0.31 0.00 0.00 61.69 63.74 2khs s THR 22 Cb 0.00 -4.16 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2khs s THR 22 CO 0.00 0.16 -0.10 0.68 -0.69 0.00 0.00 174.62 174.67 2khs s VAL 23 N 1.25 0.92 -0.25 3.82 -7.23 0.33 -1.04 120.40 118.20 2khs s VAL 23 Ca 0.43 -1.66 0.02 0.00 -1.81 0.00 0.00 61.98 58.96 2khs s VAL 23 Cb -0.18 -1.38 0.05 0.00 0.56 0.00 0.00 36.38 35.43 2khs s VAL 23 CO 0.20 -0.58 -0.12 -0.75 -0.31 0.00 0.00 175.10 173.53 2khs s LYS 24 N -2.86 2.41 0.21 4.82 2.47 0.79 -0.14 119.74 127.44 2khs s LYS 24 Ca 0.06 -1.23 0.08 0.00 -1.56 0.00 0.00 55.97 53.32 2khs s LYS 24 Cb -0.02 -2.84 -0.05 0.00 -1.46 0.00 0.00 37.83 33.46 2khs s LYS 24 CO -0.00 -0.50 -0.15 -0.51 0.16 0.00 0.00 175.35 174.35 2khs s LEU 25 N 1.15 2.55 -0.29 5.43 1.02 -0.75 -1.00 118.68 126.79 2khs s LEU 25 Ca -0.06 -1.00 0.01 0.00 0.02 0.00 0.00 54.13 53.09 2khs s LEU 25 Cb -0.19 -0.72 0.09 0.00 0.02 0.00 0.00 46.19 45.40 2khs s LEU 25 CO -0.06 -0.14 0.05 -0.32 0.02 0.00 0.00 176.35 175.89 2khs s MET 26 N -3.54 1.11 -0.27 1.70 -2.45 0.57 -0.20 119.30 116.21 2khs s MET 26 Ca 0.22 -1.23 -0.08 0.00 -1.25 0.00 0.00 55.69 53.35 2khs s MET 26 Cb -0.02 -2.45 -0.03 0.00 1.25 0.00 0.00 34.83 33.59 2khs s MET 26 CO 0.07 -0.87 0.10 1.52 1.05 0.00 0.00 175.02 176.89 2khs s TYR 27 N 1.40 3.12 -1.84 4.11 1.13 -0.06 0.73 117.35 125.94 2khs s TYR 27 Ca 0.06 -0.39 0.00 0.00 -1.41 0.00 0.00 57.07 55.33 2khs s TYR 27 Cb -0.18 -2.28 0.00 0.00 -1.10 0.00 0.00 41.96 38.40 2khs s TYR 27 CO -0.16 -0.36 0.00 1.63 -2.51 0.00 0.00 175.55 174.16 2khs n LYS 28 N 4.95 -1.66 -0.35 -3.49 5.02 -1.26 -0.26 118.16 121.11 2khs n LYS 28 Ca -0.15 1.04 0.00 0.00 -2.02 0.00 0.00 58.31 57.17 2khs n LYS 28 Cb 0.51 -5.64 0.00 0.00 -0.02 0.00 0.00 35.03 29.88 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 -0.88 0.78 3.25 0.72 0.00 -1.26 -5.04 105.19 102.76 2khs n GLY 29 Ca -0.23 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.65 2.60 -0.27 1.61 -1.52 0.65 -5.05 119.66 117.02 2khs s GLN 30 Ca 0.00 -1.67 -0.29 0.00 -1.95 0.00 0.00 55.36 51.45 2khs s GLN 30 Cb 0.00 -3.95 0.01 0.00 -0.22 0.00 0.00 33.01 28.85 2khs s GLN 30 CO 0.00 -1.15 1.07 -2.14 -0.25 0.00 0.00 175.29 172.83 2khs s PRO 31 N 1.42 4.16 0.04 2.91 0.02 -1.26 -0.88 135.00 141.42 2khs s PRO 31 Ca 0.05 1.25 0.02 0.00 0.02 0.00 0.00 61.00 62.33 2khs s PRO 31 Cb -0.26 -3.69 -0.02 0.00 0.02 0.00 0.00 34.50 30.55 2khs s PRO 31 CO 0.01 -0.77 -0.07 -1.64 -0.33 0.00 0.00 177.00 174.20 2khs s MET 32 N 3.44 0.51 -0.53 5.54 -1.94 0.71 -4.98 119.30 122.06 2khs s MET 32 Ca 0.45 -0.70 -0.26 0.00 -1.71 0.00 0.00 55.69 53.48 2khs s MET 32 Cb -0.14 -0.29 0.03 0.00 2.01 0.00 0.00 34.83 36.44 2khs s MET 32 CO 0.11 0.05 1.02 0.99 -0.01 0.00 0.00 175.02 177.18 2khs s THR 33 N -1.26 4.30 0.31 2.05 2.01 -1.26 -1.80 115.64 120.00 2khs s THR 33 Ca -0.09 0.65 0.07 0.00 0.31 0.00 0.00 61.69 62.63 2khs s THR 33 Cb -0.09 -4.56 -0.02 0.00 0.01 0.00 0.00 72.50 67.84 2khs s THR 33 CO 0.00 -1.08 0.38 -0.36 -0.69 0.00 0.00 174.62 172.88 2khs s PHE 34 N 4.19 3.13 0.00 4.92 0.40 0.80 0.35 117.98 131.76 2khs s PHE 34 Ca 0.37 -0.19 0.01 0.00 -0.60 0.00 0.00 56.93 56.52 2khs s PHE 34 Cb -0.10 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.61 2khs s PHE 34 CO 0.24 0.16 -0.04 0.50 0.70 0.00 0.00 175.22 176.79 2khs s ARG 35 N -4.07 0.30 -0.25 0.44 3.52 -0.27 -0.51 118.95 118.12 2khs s ARG 35 Ca 0.41 -0.22 -0.28 0.00 -0.13 0.00 0.00 55.73 55.51 2khs s ARG 35 Cb -0.08 -0.24 -0.05 0.00 -1.56 0.00 0.00 34.95 33.02 2khs s ARG 35 CO 0.29 0.06 2.19 -0.51 -0.81 0.00 0.00 175.30 176.52 2khs s LEU 36 N -0.34 3.44 0.10 -0.88 1.43 -0.61 -3.96 118.68 117.86 2khs s LEU 36 Ca -0.01 1.78 -0.31 0.00 -1.03 0.00 0.00 54.13 54.56 2khs s LEU 36 Cb -0.03 -3.45 -0.09 0.00 0.03 0.00 0.00 46.19 42.65 2khs s LEU 36 CO -0.00 -2.00 1.67 -0.22 0.23 0.00 0.00 176.35 176.03 2khs s LEU 37 N 8.42 4.37 0.00 1.79 0.20 -0.65 -1.65 118.68 131.16 2khs s LEU 37 Ca 0.98 2.58 0.00 0.00 0.69 0.00 0.00 54.13 58.38 2khs s LEU 37 Cb -0.31 -3.57 0.00 0.00 -0.43 0.00 0.00 46.19 41.88 2khs s LEU 37 CO 0.34 -0.90 0.00 0.18 -0.29 0.00 0.00 176.35 175.68 2khs n LEU 38 N 5.22 0.00 -4.27 -0.68 4.77 -1.26 -4.74 117.00 116.04 2khs n LEU 38 Ca 0.16 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.82 2khs n LEU 38 Cb 0.39 -0.30 -0.16 0.00 -2.33 0.00 0.00 43.42 41.03 2khs n LEU 38 CO 0.63 0.00 -0.53 -0.69 -1.33 0.00 0.00 177.39 175.47 2khs s VAL 39 N -2.21 2.34 -0.22 4.08 1.01 -0.66 -1.09 120.40 123.64 2khs s VAL 39 Ca 0.00 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.03 2khs s VAL 39 Cb 0.00 -1.91 0.07 0.00 0.00 0.00 0.00 36.38 34.53 2khs s VAL 39 CO 0.00 0.55 0.04 -0.62 0.00 0.00 0.00 175.10 175.08 2khs s ASP 40 N 0.25 3.22 -0.12 3.32 2.15 0.11 -4.30 116.67 121.31 2khs s ASP 40 Ca -0.14 -1.02 -0.11 0.00 0.43 0.00 0.00 52.55 51.71 2khs s ASP 40 Cb -0.17 -0.69 -0.05 0.00 -0.30 0.00 0.00 42.92 41.71 2khs s ASP 40 CO 0.07 -0.32 -0.23 0.41 -0.17 0.00 0.00 175.17 174.93 2khs n THR 41 N 4.99 1.26 0.32 1.71 -1.04 -1.26 -1.11 114.28 119.14 2khs n THR 41 Ca -0.08 0.05 0.06 0.00 -2.04 0.00 0.00 64.05 62.05 2khs n THR 41 Cb 0.46 -1.96 0.22 0.00 -1.82 0.00 0.00 70.33 67.22 2khs n THR 41 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2khs n PRO 42 N -4.02 2.49 -4.04 -2.82 -0.05 -1.26 -4.47 135.00 120.83 2khs n PRO 42 Ca -0.19 -1.75 -0.10 0.00 -0.05 0.00 0.00 63.50 61.41 2khs n PRO 42 Cb 0.49 -1.55 -0.11 0.00 -0.05 0.00 0.00 33.50 32.29 2khs n PRO 42 CO 0.00 0.00 0.00 -2.00 -0.05 0.00 0.00 175.50 173.45 2khs s GLU 43 N -1.61 0.47 -1.77 0.54 -6.30 -1.26 -4.73 118.70 104.04 2khs s GLU 43 Ca 0.32 -0.81 0.00 0.00 -2.50 0.00 0.00 54.97 51.98 2khs s GLU 43 Cb 0.19 -0.04 0.00 0.00 0.00 0.00 0.00 34.13 34.28 2khs s GLU 43 CO 0.17 -0.02 0.00 2.41 0.02 0.00 0.00 175.26 177.84 2khs n THR 44 N 1.20 -0.08 -0.06 -1.70 -1.04 -1.26 -4.86 114.28 106.48 2khs n THR 44 Ca -0.21 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.70 2khs n THR 44 Cb 0.56 -1.79 0.04 0.00 -1.82 0.00 0.00 70.33 67.32 2khs n THR 44 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2khs h LYS 45 N 0.00 0.75 0.00 -2.82 1.63 -1.85 -3.48 116.57 110.80 2khs h LYS 45 Ca -0.35 -0.39 0.00 0.00 -0.85 0.00 0.00 60.65 59.06 2khs h LYS 45 Cb 1.13 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.77 2khs h LYS 45 CO 0.51 1.01 0.00 1.58 -3.45 0.00 0.00 179.45 179.10 2khs n HIS 46 N -4.04 0.00 -2.26 1.91 -0.00 -1.26 -4.92 115.22 104.65 2khs n HIS 46 Ca -0.02 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.27 2khs n HIS 46 Cb 0.53 0.00 -0.02 0.00 -0.00 0.00 0.00 29.99 30.50 2khs n HIS 46 CO 0.00 0.00 0.00 -1.25 -0.00 0.00 0.00 176.34 175.09 2khs s PRO 47 N 0.00 4.15 0.52 1.57 0.04 -1.26 -4.89 135.00 135.13 2khs s PRO 47 Ca 0.00 1.80 0.31 0.00 0.04 0.00 0.00 61.00 63.15 2khs s PRO 47 Cb 0.00 -3.87 1.12 0.00 0.04 0.00 0.00 34.50 31.79 2khs s PRO 47 CO 0.00 -0.84 1.89 0.87 0.04 0.00 0.00 177.00 178.97 2khs h LYS 48 N 8.95 0.00 -0.16 4.56 6.56 -2.03 -1.27 116.57 133.17 2khs h LYS 48 Ca -0.31 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.28 2khs h LYS 48 Cb 1.13 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2khs h LYS 48 CO 0.97 0.02 0.00 1.63 -2.06 0.00 0.00 179.45 180.01 2khs n LYS 49 N -3.12 1.81 -0.03 3.15 4.76 -1.26 -3.71 118.16 119.76 2khs n LYS 49 Ca 0.01 -1.21 0.12 0.00 -2.87 0.00 0.00 58.31 54.36 2khs n LYS 49 Cb 0.36 -1.42 0.27 0.00 -1.84 0.00 0.00 35.03 32.41 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 1.18 0.72 0.11 0.72 0.00 -0.48 -3.97 105.19 103.47 2khs n GLY 50 Ca 0.17 -0.60 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 2khs n GLY 50 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2khs h VAL 51 N 3.72 1.12 0.00 1.61 3.04 -1.67 -0.62 116.25 123.45 2khs h VAL 51 Ca 0.00 -2.78 -0.13 0.00 -1.01 0.00 0.00 66.70 62.78 2khs h VAL 51 Cb 0.80 2.73 -0.02 0.00 -2.01 0.00 0.00 31.29 32.79 2khs h VAL 51 CO 0.00 0.81 -0.61 -0.33 -1.01 0.00 0.00 177.57 176.43 2khs h GLU 52 N 0.06 0.00 0.03 4.17 3.07 -1.83 -0.32 114.58 119.76 2khs h GLU 52 Ca -0.25 0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.56 2khs h GLU 52 Cb 2.01 0.00 0.01 0.00 -0.84 0.00 0.00 28.75 29.93 2khs h GLU 52 CO 0.15 0.61 -0.22 0.87 -1.40 0.00 0.00 179.01 179.03 2khs h LYS 53 N 0.00 0.10 0.00 2.33 1.79 -1.69 -3.38 116.57 115.72 2khs h LYS 53 Ca -0.01 -0.14 -0.25 0.00 -2.18 0.00 0.00 60.65 58.07 2khs h LYS 53 Cb 1.36 0.05 -0.04 0.00 -1.58 0.00 0.00 32.23 32.02 2khs h LYS 53 CO 0.08 1.00 -1.52 -0.92 -1.08 0.00 0.00 179.45 177.01 2khs h TYR 54 N -0.73 0.00 -0.66 -1.35 5.03 -1.17 -3.41 116.97 114.69 2khs h TYR 54 Ca -0.03 0.00 0.08 0.00 2.58 0.00 0.00 58.73 61.36 2khs h TYR 54 Cb 1.09 0.00 -0.11 0.00 1.55 0.00 0.00 36.73 39.27 2khs h TYR 54 CO 0.23 0.88 -0.50 0.78 -1.32 0.00 0.00 178.16 178.23 2khs h GLY 55 N 3.51 -0.64 1.16 1.82 0.00 -1.22 -0.73 103.07 106.97 2khs h GLY 55 Ca -0.22 0.65 0.10 0.00 0.00 0.00 0.00 47.33 47.86 2khs h GLY 55 CO 0.08 -0.11 0.33 -0.56 0.00 0.00 0.00 176.54 176.28 2khs h PRO 56 N -0.21 0.23 0.43 4.80 0.13 -1.79 -1.86 132.00 133.73 2khs h PRO 56 Ca 0.16 -0.01 -0.02 0.00 -0.87 0.00 0.00 66.00 65.26 2khs h PRO 56 Cb 0.54 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.63 2khs h PRO 56 CO -0.74 0.15 -0.20 0.93 -0.23 0.00 0.00 178.00 177.90 2khs h GLU 57 N 0.24 -0.55 -0.69 0.86 4.39 -1.38 -0.38 114.58 117.06 2khs h GLU 57 Ca 0.23 0.04 -0.04 0.00 0.34 0.00 0.00 59.36 59.92 2khs h GLU 57 Cb 0.59 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 29.33 2khs h GLU 57 CO -0.04 -0.25 0.27 0.00 -1.16 0.00 0.00 179.01 177.83 2khs h ALA 58 N -0.69 0.89 -0.43 3.43 0.00 -1.46 -2.69 119.26 118.32 2khs h ALA 58 Ca -0.06 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.62 2khs h ALA 58 Cb 0.56 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2khs h ALA 58 CO 0.10 0.52 0.05 0.77 0.00 0.00 0.00 179.25 180.69 2khs h SER 59 N 0.98 0.63 -0.62 0.00 0.02 -1.35 -1.52 113.55 111.69 2khs h SER 59 Ca 0.23 -0.12 -0.04 0.00 -0.84 0.00 0.00 61.79 61.02 2khs h SER 59 Cb 0.22 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 2khs h SER 59 CO -0.02 0.66 0.25 0.00 -1.14 0.00 0.00 176.83 176.58 2khs h ALA 60 N 1.42 1.22 0.17 3.77 0.00 -0.73 0.87 119.26 125.98 2khs h ALA 60 Ca 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 2khs h ALA 60 Cb 0.32 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2khs h ALA 60 CO 0.01 0.57 -0.08 0.35 0.00 0.00 0.00 179.25 180.09 2khs h PHE 61 N 0.94 -0.22 -0.31 0.00 3.57 -1.23 -2.72 116.94 116.97 2khs h PHE 61 Ca 0.22 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.75 2khs h PHE 61 Cb 0.20 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.98 2khs h PHE 61 CO 0.01 0.17 0.09 1.15 -2.23 0.00 0.00 178.31 177.51 2khs h THR 62 N -0.68 0.90 0.45 4.41 2.02 -1.08 0.54 112.91 119.47 2khs h THR 62 Ca -0.02 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.06 2khs h THR 62 Cb 0.49 0.66 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 2khs h THR 62 CO 0.04 0.04 -0.22 0.11 0.37 0.00 0.00 175.52 175.86 2khs h LYS 63 N 0.22 -0.58 0.00 6.66 1.57 -0.90 -2.40 116.57 121.14 2khs h LYS 63 Ca 0.14 0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.93 2khs h LYS 63 Cb 0.12 0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 2khs h LYS 63 CO -0.15 -0.37 -0.12 0.87 -0.57 0.00 0.00 179.45 179.10 2khs h LYS 64 N -0.63 0.00 -0.27 3.15 1.57 -1.38 0.96 116.57 119.95 2khs h LYS 64 Ca -0.06 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.66 2khs h LYS 64 Cb 0.48 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2khs h LYS 64 CO 0.10 0.12 -0.04 1.98 -0.57 0.00 0.00 179.45 181.04 2khs h MET 65 N 0.00 0.52 0.00 3.15 4.05 -0.52 -1.40 114.93 120.72 2khs h MET 65 Ca -0.00 -0.19 -0.16 0.00 -0.28 0.00 0.00 59.70 59.07 2khs h MET 65 Cb 0.47 -0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.21 2khs h MET 65 CO 0.02 0.71 -1.18 -0.39 0.23 0.00 0.00 176.91 176.30 2khs h VAL 66 N 0.28 0.69 -0.05 -5.77 -1.51 -0.95 -2.97 116.25 105.96 2khs h VAL 66 Ca 0.07 -2.19 -0.18 0.00 -1.23 0.00 0.00 66.70 63.18 2khs h VAL 66 Cb 0.51 2.21 -0.01 0.00 -2.13 0.00 0.00 31.29 31.86 2khs h VAL 66 CO 0.02 0.39 -0.75 -0.33 -1.23 0.00 0.00 177.57 175.67 2khs h GLU 67 N 0.00 0.33 0.00 5.19 5.08 -0.84 -3.12 114.58 121.22 2khs h GLU 67 Ca -0.12 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2khs h GLU 67 Cb 1.57 0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.89 2khs h GLU 67 CO 0.06 0.94 -0.32 -0.97 -1.00 0.00 0.00 179.01 177.71 2khs h ASN 68 N 0.22 0.00 -3.83 1.42 -0.73 -1.35 -3.47 115.58 107.83 2khs h ASN 68 Ca -0.03 -0.07 -0.55 0.00 1.87 0.00 0.00 56.30 57.51 2khs h ASN 68 Cb 1.33 0.00 0.13 0.00 0.27 0.00 0.00 38.32 40.04 2khs h ASN 68 CO 0.12 0.04 0.62 0.00 -0.37 0.00 0.00 177.43 177.84 2khs n ALA 69 N -1.90 1.73 -0.02 1.57 0.00 -1.12 -4.92 120.51 115.85 2khs n ALA 69 Ca 0.04 0.24 -0.16 0.00 0.00 0.00 0.00 53.44 53.55 2khs n ALA 69 Cb 0.46 -2.35 -0.10 0.00 0.00 0.00 0.00 19.45 17.47 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 2.11 0.44 -4.82 0.00 1.57 -1.90 -3.45 116.57 110.52 2khs h LYS 70 Ca -0.50 -0.40 -0.34 0.00 -1.87 0.00 0.00 60.65 57.54 2khs h LYS 70 Cb 1.28 0.10 -0.23 0.00 0.08 0.00 0.00 32.23 33.46 2khs h LYS 70 CO 0.60 1.05 -0.76 0.15 -0.57 0.00 0.00 179.45 179.92 2khs s LYS 71 N -3.47 0.65 -0.24 3.15 1.02 -1.26 -5.00 119.74 114.58 2khs s LYS 71 Ca -0.13 -0.69 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 2khs s LYS 71 Cb 0.04 -0.55 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 2khs s LYS 71 CO 0.81 0.12 0.07 0.42 -0.92 0.00 0.00 175.35 175.86 2khs s ILE 72 N -1.03 4.36 -0.12 2.17 1.09 -1.25 -0.55 121.20 125.87 2khs s ILE 72 Ca -0.04 -0.16 -0.01 0.00 -1.10 0.00 0.00 60.65 59.34 2khs s ILE 72 Cb -0.08 -3.03 -0.02 0.00 -1.06 0.00 0.00 42.46 38.26 2khs s ILE 72 CO 0.01 0.35 -0.09 -1.61 -0.10 0.00 0.00 174.94 173.50 2khs s GLU 73 N 1.50 3.26 -0.14 2.79 0.41 0.52 0.06 118.70 127.09 2khs s GLU 73 Ca 0.06 -0.61 -0.01 0.00 -0.41 0.00 0.00 54.97 53.99 2khs s GLU 73 Cb -0.15 -2.68 -0.02 0.00 -1.78 0.00 0.00 34.13 29.50 2khs s GLU 73 CO 0.04 0.35 -0.10 0.14 -0.49 0.00 0.00 175.26 175.20 2khs s VAL 74 N 0.01 3.35 -0.26 2.63 -7.23 0.50 -0.23 120.40 119.18 2khs s VAL 74 Ca -0.02 -0.55 -0.07 0.00 -1.81 0.00 0.00 61.98 59.52 2khs s VAL 74 Cb -0.14 -2.43 -0.02 0.00 0.56 0.00 0.00 36.38 34.35 2khs s VAL 74 CO 0.03 0.51 0.07 -0.70 -0.31 0.00 0.00 175.10 174.71 2khs s GLU 75 N 0.38 3.54 -0.17 4.82 2.12 0.58 -0.72 118.70 129.25 2khs s GLU 75 Ca -0.08 -0.55 -0.23 0.00 0.36 0.00 0.00 54.97 54.47 2khs s GLU 75 Cb -0.15 -3.34 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 2khs s GLU 75 CO 0.05 -0.24 0.71 0.12 -0.54 0.00 0.00 175.26 175.35 2khs s PHE 76 N 1.59 3.41 0.47 5.30 5.36 0.38 -1.55 117.98 132.94 2khs s PHE 76 Ca 0.06 1.08 -0.03 0.00 -0.96 0.00 0.00 56.93 57.07 2khs s PHE 76 Cb -0.15 -2.87 0.10 0.00 -0.34 0.00 0.00 43.02 39.75 2khs s PHE 76 CO 0.03 -0.17 0.64 -3.47 -1.46 0.00 0.00 175.22 170.79 2khs n ASP 77 N 4.97 0.54 -0.34 6.13 -0.08 -1.26 -2.42 116.55 124.08 2khs n ASP 77 Ca 0.01 -1.53 0.13 0.00 -1.51 0.00 0.00 54.79 51.89 2khs n ASP 77 Cb 0.50 -0.44 0.36 0.00 2.34 0.00 0.00 41.12 43.87 2khs n ASP 77 CO 0.00 0.00 0.00 2.29 0.12 0.00 0.00 177.20 179.61 2khs n LYS 78 N -2.24 1.09 0.00 -0.67 -0.00 -1.26 -4.64 118.16 110.44 2khs n LYS 78 Ca 0.09 -0.69 0.00 0.00 -0.00 0.00 0.00 58.31 57.72 2khs n LYS 78 Cb 0.34 -1.49 0.00 0.00 -0.00 0.00 0.00 35.03 33.88 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 1.32 0.44 3.18 2.58 0.00 -1.26 -5.04 105.19 106.40 2khs n GLY 79 Ca 0.13 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 1.57 -0.00 1.61 -0.21 -1.26 -4.99 119.66 116.37 2khs s GLN 80 Ca 0.00 -0.66 0.22 0.00 0.02 0.00 0.00 55.36 54.93 2khs s GLN 80 Cb 0.00 -1.49 -0.20 0.00 1.00 0.00 0.00 33.01 32.32 2khs s GLN 80 CO 0.00 0.38 0.81 -2.13 -2.12 0.00 0.00 175.29 172.23 2khs n ARG 81 N 2.70 0.22 -4.02 2.91 0.63 -1.26 -4.72 116.66 113.12 2khs n ARG 81 Ca -0.15 -0.06 -0.08 0.00 -0.92 0.00 0.00 57.85 56.64 2khs n ARG 81 Cb 0.53 -1.52 -0.09 0.00 0.45 0.00 0.00 32.46 31.83 2khs n ARG 81 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 2khs s THR 82 N -3.17 0.19 0.00 5.15 -4.23 -1.26 -0.10 115.64 112.22 2khs s THR 82 Ca 0.03 -1.56 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 2khs s THR 82 Cb 0.15 -1.37 0.00 0.00 1.34 0.00 0.00 72.50 72.63 2khs s THR 82 CO 0.87 -0.86 0.00 -0.90 -0.54 0.00 0.00 174.62 173.18 2khs n ASP 83 N 0.20 0.00 0.11 3.99 5.75 0.00 -4.79 116.55 121.81 2khs n ASP 83 Ca -0.15 -0.89 -0.03 0.00 -0.01 0.00 0.00 54.79 53.71 2khs n ASP 83 Cb 0.61 0.00 0.16 0.00 -1.03 0.00 0.00 41.12 40.86 2khs n ASP 83 CO 0.00 0.00 0.00 0.07 -0.11 0.00 0.00 177.20 177.16 2khs h LYS 84 N 0.00 0.12 0.00 0.11 2.10 -2.03 -3.15 116.57 113.73 2khs h LYS 84 Ca 0.00 -0.08 -0.05 0.00 -2.00 0.00 0.00 60.65 58.52 2khs h LYS 84 Cb 0.00 0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2khs h LYS 84 CO 0.00 0.68 -0.22 -0.92 -2.00 0.00 0.00 179.45 176.99 2khs h TYR 85 N 0.09 0.00 0.00 0.07 3.20 -2.04 -3.47 116.97 114.82 2khs h TYR 85 Ca -0.01 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2khs h TYR 85 Cb 1.07 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.34 2khs h TYR 85 CO 0.01 0.22 0.00 0.41 -1.64 0.00 0.00 178.16 177.16 2khs n GLY 86 N 1.14 1.89 3.84 1.82 0.00 -1.19 -5.09 105.19 107.59 2khs n GLY 86 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.61 3.85 -0.13 1.61 1.81 -1.26 -4.60 118.95 119.61 2khs s ARG 87 Ca 0.00 0.29 -0.29 0.00 -1.72 0.00 0.00 55.73 54.01 2khs s ARG 87 Cb 0.00 -3.23 -0.02 0.00 -0.45 0.00 0.00 34.95 31.25 2khs s ARG 87 CO 0.00 0.67 1.27 0.20 -0.68 0.00 0.00 175.30 176.76 2khs s GLY 88 N -0.94 1.74 -0.69 -3.53 0.00 0.15 -0.82 107.32 103.23 2khs s GLY 88 Ca 0.22 0.52 -0.11 0.00 0.00 0.00 0.00 44.72 45.35 2khs s GLY 88 CO 0.11 2.47 0.60 1.08 0.00 0.00 0.00 173.10 177.35 2khs s LEU 89 N 3.23 6.21 0.04 0.66 1.43 0.86 -1.11 118.68 130.00 2khs s LEU 89 Ca 0.56 -2.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.11 2khs s LEU 89 Cb -0.23 -2.11 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2khs s LEU 89 CO 0.17 -0.59 0.14 0.00 0.23 0.00 0.00 176.35 176.30 2khs s ALA 90 N 0.50 -0.20 -0.01 4.21 0.00 -1.25 -4.35 121.76 120.65 2khs s ALA 90 Ca 0.14 -0.44 -0.25 0.00 0.00 0.00 0.00 51.96 51.41 2khs s ALA 90 Cb -0.17 0.27 -0.04 0.00 0.00 0.00 0.00 23.12 23.17 2khs s ALA 90 CO -0.05 -0.35 0.75 0.71 0.00 0.00 0.00 175.76 176.83 2khs s TYR 91 N -2.65 3.65 -0.23 0.00 2.02 -0.60 -1.64 117.35 117.91 2khs s TYR 91 Ca -0.04 1.38 -0.11 0.00 -0.37 0.00 0.00 57.07 57.93 2khs s TYR 91 Cb -0.01 -2.84 -0.05 0.00 -0.40 0.00 0.00 41.96 38.67 2khs s TYR 91 CO -0.05 0.16 0.17 0.42 -1.57 0.00 0.00 175.55 174.69 2khs s ILE 92 N 0.44 5.36 0.04 2.71 -1.09 -1.26 -0.31 121.20 127.09 2khs s ILE 92 Ca 0.39 0.23 0.09 0.00 -2.23 0.00 0.00 60.65 59.13 2khs s ILE 92 Cb -0.19 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.15 2khs s ILE 92 CO 0.21 0.36 -0.26 -0.31 -1.23 0.00 0.00 174.94 173.71 2khs s TYR 93 N 0.89 2.29 -0.48 3.97 1.51 0.68 -2.35 117.35 123.85 2khs s TYR 93 Ca 0.09 -0.41 -0.09 0.00 -1.01 0.00 0.00 57.07 55.64 2khs s TYR 93 Cb -0.13 -1.38 0.12 0.00 -0.11 0.00 0.00 41.96 40.47 2khs s TYR 93 CO 0.03 0.11 0.36 0.00 -1.11 0.00 0.00 175.55 174.94 2khs s ALA 94 N -0.79 3.42 -1.55 3.71 0.00 0.11 -0.36 121.76 126.30 2khs s ALA 94 Ca 0.11 -2.58 -0.18 0.00 0.00 0.00 0.00 51.96 49.32 2khs s ALA 94 Cb -0.10 -2.85 0.17 0.00 0.00 0.00 0.00 23.12 20.35 2khs s ALA 94 CO 0.02 -1.92 0.57 -0.40 0.00 0.00 0.00 175.76 174.02 2khs n ASP 95 N 4.86 -2.34 0.00 0.00 5.68 0.28 -0.26 116.55 124.78 2khs n ASP 95 Ca -0.07 -0.88 0.00 0.00 -0.50 0.00 0.00 54.79 53.34 2khs n ASP 95 Cb 0.41 -1.99 0.00 0.00 -1.14 0.00 0.00 41.12 38.40 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2khs n GLY 96 N -1.09 0.92 3.76 6.12 0.00 -1.26 -4.97 105.19 108.67 2khs n GLY 96 Ca 0.08 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.71 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 -0.61 4.37 -0.44 1.61 1.02 0.64 -5.02 119.74 121.31 2khs s LYS 97 Ca 0.00 0.83 -0.29 0.00 0.02 0.00 0.00 55.97 56.54 2khs s LYS 97 Cb 0.00 -3.34 0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2khs s LYS 97 CO 0.00 0.37 1.11 -1.64 -0.92 0.00 0.00 175.35 174.26 2khs s MET 98 N -0.23 3.80 0.05 1.68 -1.94 -1.26 0.05 119.30 121.44 2khs s MET 98 Ca 0.33 0.66 -0.20 0.00 -1.71 0.00 0.00 55.69 54.78 2khs s MET 98 Cb -0.19 -3.87 -0.14 0.00 2.01 0.00 0.00 34.83 32.64 2khs s MET 98 CO 0.19 -1.25 1.34 0.28 -0.01 0.00 0.00 175.02 175.57 2khs h VAL 99 N 6.10 1.35 -0.22 -6.03 2.07 -1.83 -2.71 116.25 114.98 2khs h VAL 99 Ca -0.22 -1.37 0.05 0.00 0.82 0.00 0.00 66.70 65.97 2khs h VAL 99 Cb 1.06 1.87 -0.04 0.00 -1.52 0.00 0.00 31.29 32.66 2khs h VAL 99 CO 1.10 0.41 -0.06 0.78 0.02 0.00 0.00 177.57 179.81 2khs h ASN 100 N 0.04 -0.23 -0.13 0.57 2.35 -1.91 -1.25 115.58 115.02 2khs h ASN 100 Ca 0.02 0.07 0.04 0.00 -0.55 0.00 0.00 56.30 55.88 2khs h ASN 100 Cb 0.73 0.15 -0.04 0.00 0.05 0.00 0.00 38.32 39.21 2khs h ASN 100 CO 0.04 -0.08 -0.10 -0.08 -1.65 0.00 0.00 177.43 175.56 2khs h GLU 101 N -0.01 -0.11 -0.68 0.81 4.57 -1.92 -2.19 114.58 115.05 2khs h GLU 101 Ca 0.11 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.30 2khs h GLU 101 Cb 0.18 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 28.76 2khs h GLU 101 CO -0.24 -0.07 0.45 0.00 -1.18 0.00 0.00 179.01 177.97 2khs h ALA 102 N 0.99 0.86 -0.10 2.92 0.00 -1.10 0.28 119.26 123.11 2khs h ALA 102 Ca 0.08 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.95 2khs h ALA 102 Cb 0.23 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 2khs h ALA 102 CO -0.20 0.28 0.07 -0.07 0.00 0.00 0.00 179.25 179.33 2khs h LEU 103 N 0.92 0.12 -0.62 0.00 3.38 -0.94 0.14 115.31 118.30 2khs h LEU 103 Ca 0.25 -0.02 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 2khs h LEU 103 Cb -0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2khs h LEU 103 CO -0.06 0.10 -0.67 0.58 0.09 0.00 0.00 178.44 178.49 2khs h VAL 104 N 0.13 1.44 0.00 1.22 2.07 -1.10 0.24 116.25 120.24 2khs h VAL 104 Ca 0.04 -2.19 -0.11 0.00 0.82 0.00 0.00 66.70 65.26 2khs h VAL 104 Cb -0.00 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 31.92 2khs h VAL 104 CO -0.01 0.64 -0.50 -0.09 0.02 0.00 0.00 177.57 177.62 2khs h ARG 105 N 0.09 0.00 -0.00 1.57 9.65 -0.13 -1.63 114.38 123.93 2khs h ARG 105 Ca -0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 2khs h ARG 105 Cb 1.19 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.77 2khs h ARG 105 CO 0.10 0.50 -0.33 1.04 2.80 0.00 0.00 179.97 184.08 2khs n GLN 106 N -3.65 0.19 -3.12 0.20 1.13 0.01 -4.94 117.38 107.20 2khs n GLN 106 Ca -0.01 -0.09 -0.14 0.00 -1.94 0.00 0.00 57.00 54.82 2khs n GLN 106 Cb 0.57 -1.50 0.05 0.00 0.11 0.00 0.00 30.24 29.47 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 1.45 0.04 0.04 1.08 0.00 -0.61 -4.93 105.19 102.25 2khs n GLY 107 Ca 0.08 -0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.09 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 -3.17 0.37 -4.04 0.99 4.77 0.78 -5.00 117.00 111.71 2khs n LEU 108 Ca -0.02 0.02 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2khs n LEU 108 Cb 0.55 -0.03 -0.06 0.00 -2.33 0.00 0.00 43.42 41.55 2khs n LEU 108 CO 0.39 -0.01 0.12 0.00 -1.33 0.00 0.00 177.39 176.56 2khs s ALA 109 N -3.39 0.10 0.44 -1.18 0.00 -1.19 -4.67 121.76 111.87 2khs s ALA 109 Ca -0.03 -1.09 0.07 0.00 0.00 0.00 0.00 51.96 50.91 2khs s ALA 109 Cb 0.13 1.12 -0.02 0.00 0.00 0.00 0.00 23.12 24.35 2khs s ALA 109 CO 0.86 -0.81 0.30 0.15 0.00 0.00 0.00 175.76 176.27 2khs s LYS 110 N -3.87 2.36 0.03 0.00 1.02 -0.27 -4.45 119.74 114.55 2khs s LYS 110 Ca 0.26 -1.75 -0.26 0.00 0.02 0.00 0.00 55.97 54.24 2khs s LYS 110 Cb 0.00 -2.17 -0.05 0.00 -0.52 0.00 0.00 37.83 35.10 2khs s LYS 110 CO 0.11 -0.24 0.80 0.54 -0.92 0.00 0.00 175.35 175.64 2khs s VAL 111 N -2.58 4.77 -0.22 3.17 0.11 -1.26 0.10 120.40 124.49 2khs s VAL 111 Ca 0.43 1.69 -0.21 0.00 -2.93 0.00 0.00 61.98 60.96 2khs s VAL 111 Cb -0.00 -4.15 -0.02 0.00 -1.53 0.00 0.00 36.38 30.68 2khs s VAL 111 CO 0.24 0.32 0.67 0.00 -3.33 0.00 0.00 175.10 173.00 2khs s ALA 112 N 0.20 3.58 0.11 1.54 0.00 -0.25 -4.49 121.76 122.45 2khs s ALA 112 Ca 0.41 -0.30 -0.30 0.00 0.00 0.00 0.00 51.96 51.77 2khs s ALA 112 Cb -0.20 -3.06 -0.06 0.00 0.00 0.00 0.00 23.12 19.80 2khs s ALA 112 CO 0.23 -0.71 1.04 0.71 0.00 0.00 0.00 175.76 177.04 2khs s TYR 113 N 2.29 3.67 -0.12 0.00 2.02 -1.26 -4.09 117.35 119.85 2khs s TYR 113 Ca 0.29 1.65 -0.22 0.00 -0.37 0.00 0.00 57.07 58.43 2khs s TYR 113 Cb -0.16 -3.19 -0.03 0.00 -0.40 0.00 0.00 41.96 38.18 2khs s TYR 113 CO 0.09 -0.30 0.64 0.08 -1.57 0.00 0.00 175.55 174.49 2khs s VAL 114 N 0.19 5.06 -0.53 0.71 1.01 -1.26 -4.96 120.40 120.62 2khs s VAL 114 Ca 0.50 1.28 0.24 0.00 0.00 0.00 0.00 61.98 64.00 2khs s VAL 114 Cb -0.26 -3.97 0.27 0.00 0.00 0.00 0.00 36.38 32.42 2khs s VAL 114 CO 0.31 0.21 1.60 0.22 0.00 0.00 0.00 175.10 177.44 2khs h TYR 115 N 6.99 0.00 -2.73 5.22 3.20 -2.06 -3.49 116.97 124.10 2khs h TYR 115 Ca -0.38 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.49 2khs h TYR 115 Cb 1.17 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2khs h TYR 115 CO 0.66 0.00 -0.53 1.63 -1.64 0.00 0.00 178.16 178.29 2khs n LYS 116 N -2.71 -3.06 -0.56 1.82 4.01 -1.26 -5.08 118.16 111.31 2khs n LYS 116 Ca 0.04 2.35 0.00 0.00 -0.51 0.00 0.00 58.31 60.19 2khs n LYS 116 Cb 0.49 -2.34 0.00 0.00 -0.51 0.00 0.00 35.03 32.67 2khs n LYS 116 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2khs n PRO 117 N 0.86 1.54 -0.03 1.97 -0.04 -1.26 -5.08 135.00 132.95 2khs n PRO 117 Ca 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.42 2khs n PRO 117 Cb 0.00 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 33.45 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 -1.93 0.86 -3.15 3.54 4.05 -1.26 -5.01 115.26 112.36 2khs n ASN 118 Ca 0.00 0.14 0.04 0.00 0.45 0.00 0.00 54.58 55.21 2khs n ASN 118 Cb 0.00 -0.55 -0.00 0.00 1.23 0.00 0.00 39.78 40.46 2khs n ASN 118 CO 0.00 0.00 0.00 0.21 -3.05 0.00 0.00 177.26 174.42 2khs s ASN 119 N -4.98 -1.29 0.10 1.20 3.84 -1.26 -5.02 114.94 107.53 2khs s ASN 119 Ca -0.12 0.09 -0.03 0.00 0.21 0.00 0.00 52.86 53.01 2khs s ASN 119 Cb 0.02 1.80 -0.22 0.00 -0.55 0.00 0.00 41.25 42.30 2khs s ASN 119 CO 0.17 -0.23 1.20 0.71 -2.79 0.00 0.00 177.10 176.17 2khs h THR 120 N 5.50 1.51 0.00 -5.21 1.35 -2.04 -3.57 112.91 110.44 2khs h THR 120 Ca -0.03 -2.97 0.00 0.00 -0.55 0.00 0.00 66.41 62.87 2khs h THR 120 Cb 1.19 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 70.42 2khs h THR 120 CO 0.08 0.87 0.00 1.57 -0.25 0.00 0.00 175.52 177.78