#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs h THR 2 N 0.00 0.82 -5.48 0.00 2.02 -1.96 -3.49 112.91 104.82 2khs h THR 2 Ca 0.00 -0.35 -0.05 0.00 0.77 0.00 0.00 66.41 66.78 2khs h THR 2 Cb 0.00 1.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.43 2khs h THR 2 CO 0.00 0.08 -0.41 -1.20 0.37 0.00 0.00 175.52 174.36 2khs n SER 3 N -5.15 -7.57 0.00 4.18 7.64 -1.26 -4.99 113.62 106.46 2khs n SER 3 Ca -0.09 0.20 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2khs n SER 3 Cb 0.21 -4.91 0.00 0.00 -1.01 0.00 0.00 64.21 58.49 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 -0.92 0.00 -0.03 0.44 -2.24 -1.26 -4.75 114.28 105.52 2khs n THR 4 Ca 0.04 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.75 2khs n THR 4 Cb 0.50 -0.46 -0.13 0.00 -2.10 0.00 0.00 70.33 68.14 2khs n THR 4 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2khs n LYS 5 N -2.31 0.64 -4.37 -0.78 5.02 -1.26 -4.94 118.16 110.16 2khs n LYS 5 Ca 0.00 0.23 -0.19 0.00 -2.02 0.00 0.00 58.31 56.34 2khs n LYS 5 Cb 0.43 -1.75 -0.10 0.00 -0.02 0.00 0.00 35.03 33.58 2khs n LYS 5 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 2khs s LYS 6 N -2.64 1.49 0.42 1.97 0.00 -1.26 -5.17 119.74 114.54 2khs s LYS 6 Ca -0.05 -1.80 -0.01 0.00 0.00 0.00 0.00 55.97 54.11 2khs s LYS 6 Cb 0.08 -0.60 0.08 0.00 0.00 0.00 0.00 37.83 37.39 2khs s LYS 6 CO 0.82 -0.20 0.57 1.28 0.00 0.00 0.00 175.35 177.83 2khs n LEU 7 N -0.54 0.00 -3.94 2.77 4.77 -1.26 -4.29 117.00 114.50 2khs n LEU 7 Ca -0.02 -1.14 -0.31 0.00 -0.03 0.00 0.00 56.01 54.51 2khs n LEU 7 Cb 0.66 -0.38 -0.15 0.00 -2.33 0.00 0.00 43.42 41.22 2khs n LEU 7 CO 0.39 -0.79 -0.35 -1.38 -1.33 0.00 0.00 177.39 173.93 2khs s HIS 8 N -1.69 3.05 -0.12 -1.77 -3.43 -1.26 -4.74 115.29 105.33 2khs s HIS 8 Ca 0.37 -2.48 -0.15 0.00 -0.80 0.00 0.00 55.06 52.00 2khs s HIS 8 Cb -0.02 -2.38 -0.05 0.00 -1.43 0.00 0.00 32.58 28.71 2khs s HIS 8 CO 0.25 -0.90 0.36 -1.59 -2.00 0.00 0.00 174.74 170.86 2khs s LYS 9 N 1.15 4.19 0.03 -0.38 0.00 -1.26 -4.31 119.74 119.17 2khs s LYS 9 Ca 0.07 0.25 0.08 0.00 0.00 0.00 0.00 55.97 56.36 2khs s LYS 9 Cb -0.19 -3.38 -0.03 0.00 0.00 0.00 0.00 37.83 34.23 2khs s LYS 9 CO -0.12 0.32 -0.21 -1.83 0.00 0.00 0.00 175.35 173.51 2khs s GLU 10 N 0.18 2.01 0.33 1.78 -1.05 -0.85 -4.82 118.70 116.30 2khs s GLU 10 Ca 0.21 -1.00 -0.29 0.00 -0.15 0.00 0.00 54.97 53.74 2khs s GLU 10 Cb -0.14 -2.13 -0.11 0.00 -0.44 0.00 0.00 34.13 31.31 2khs s GLU 10 CO 0.07 0.54 1.41 -2.14 0.95 0.00 0.00 175.26 176.09 2khs s PRO 11 N -1.30 4.24 0.05 -4.83 0.02 -1.26 -1.37 135.00 130.55 2khs s PRO 11 Ca 0.13 2.38 0.02 0.00 0.02 0.00 0.00 61.00 63.56 2khs s PRO 11 Cb -0.10 -3.04 -0.03 0.00 0.02 0.00 0.00 34.50 31.35 2khs s PRO 11 CO 0.04 -0.38 -0.07 0.00 -0.33 0.00 0.00 177.00 176.25 2khs s ALA 12 N -0.88 0.63 -0.16 -1.55 0.00 0.12 -4.16 121.76 115.75 2khs s ALA 12 Ca 0.53 -0.86 -0.10 0.00 0.00 0.00 0.00 51.96 51.53 2khs s ALA 12 Cb -0.43 0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.71 2khs s ALA 12 CO 0.55 -0.06 0.18 0.99 0.00 0.00 0.00 175.76 177.42 2khs s THR 13 N -1.76 5.40 0.25 0.00 2.01 0.19 -4.06 115.64 117.66 2khs s THR 13 Ca -0.06 0.30 -0.28 0.00 0.31 0.00 0.00 61.69 61.95 2khs s THR 13 Cb -0.07 -3.49 -0.09 0.00 0.01 0.00 0.00 72.50 68.85 2khs s THR 13 CO -0.01 0.49 0.90 -1.48 -0.69 0.00 0.00 174.62 173.83 2khs s LEU 14 N -0.06 4.55 -0.23 4.42 2.34 -1.26 0.67 118.68 129.10 2khs s LEU 14 Ca 0.12 1.85 -0.14 0.00 0.06 0.00 0.00 54.13 56.02 2khs s LEU 14 Cb -0.12 -3.66 -0.09 0.00 -0.56 0.00 0.00 46.19 41.76 2khs s LEU 14 CO 0.01 0.11 -0.33 -0.38 -1.06 0.00 0.00 176.35 174.70 2khs n ILE 15 N 1.24 1.45 -3.47 1.48 5.41 0.11 -4.86 119.36 120.72 2khs n ILE 15 Ca -0.02 -0.18 -0.13 0.00 1.00 0.00 0.00 62.75 63.43 2khs n ILE 15 Cb 0.48 -2.01 -0.03 0.00 -0.71 0.00 0.00 39.64 37.37 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 176.55 174.96 2khs s LYS 16 N -2.61 1.11 -0.23 0.38 -2.85 -1.07 -5.02 119.74 109.46 2khs s LYS 16 Ca -0.33 -0.23 -0.03 0.00 -1.00 0.00 0.00 55.97 54.38 2khs s LYS 16 Cb 0.10 0.52 -0.00 0.00 -2.06 0.00 0.00 37.83 36.39 2khs s LYS 16 CO 0.44 -0.45 -0.05 0.00 0.10 0.00 0.00 175.35 175.39 2khs s ALA 17 N -2.87 2.79 -0.07 0.59 0.00 -1.26 0.03 121.76 120.97 2khs s ALA 17 Ca -0.01 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.69 2khs s ALA 17 Cb -0.01 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.40 2khs s ALA 17 CO -0.06 -0.50 -0.06 0.82 0.00 0.00 0.00 175.76 175.96 2khs h ILE 18 N 5.78 0.00 -2.29 0.00 2.04 -1.43 -3.47 117.51 118.14 2khs h ILE 18 Ca -0.40 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 64.86 2khs h ILE 18 Cb 1.15 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 2khs h ILE 18 CO 0.60 0.00 0.00 0.47 0.00 0.00 0.00 178.15 179.22 2khs n ASP 19 N -3.66 0.41 0.22 1.72 8.00 -0.63 -4.98 116.55 117.63 2khs n ASP 19 Ca -0.02 -0.88 0.11 0.00 0.71 0.00 0.00 54.79 54.70 2khs n ASP 19 Cb 0.09 0.00 0.39 0.00 -0.02 0.00 0.00 41.12 41.57 2khs n ASP 19 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2khs h GLY 20 N 0.00 0.00 0.00 0.44 0.00 -1.74 -3.18 103.07 98.59 2khs h GLY 20 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2khs h GLY 20 CO 0.00 0.00 -1.98 2.09 0.00 0.00 0.00 176.54 176.65 2khs n ASP 21 N -3.25 0.16 -3.94 0.19 5.75 -1.26 -4.89 116.55 109.31 2khs n ASP 21 Ca 0.01 0.00 -0.28 0.00 -0.01 0.00 0.00 54.79 54.51 2khs n ASP 21 Cb 0.47 1.93 -0.17 0.00 -1.03 0.00 0.00 41.12 42.33 2khs n ASP 21 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2khs s THR 22 N -3.44 1.23 0.16 2.12 -4.23 -1.20 -3.25 115.64 107.03 2khs s THR 22 Ca -0.08 -0.49 0.07 0.00 -1.18 0.00 0.00 61.69 60.01 2khs s THR 22 Cb 0.13 -1.25 -0.04 0.00 1.34 0.00 0.00 72.50 72.68 2khs s THR 22 CO 0.88 0.34 -0.14 0.68 -0.54 0.00 0.00 174.62 175.83 2khs s VAL 23 N 1.61 1.52 -0.19 2.29 -7.23 -0.45 -1.03 120.40 116.92 2khs s VAL 23 Ca 0.04 -1.98 0.01 0.00 -1.81 0.00 0.00 61.98 58.24 2khs s VAL 23 Cb -0.13 -1.81 0.02 0.00 0.56 0.00 0.00 36.38 35.02 2khs s VAL 23 CO -0.09 -0.52 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.24 2khs s LYS 24 N -3.20 2.94 0.21 4.82 2.20 0.11 0.73 119.74 127.55 2khs s LYS 24 Ca 0.16 -0.87 0.09 0.00 -0.36 0.00 0.00 55.97 54.99 2khs s LYS 24 Cb -0.02 -2.60 -0.05 0.00 -1.51 0.00 0.00 37.83 33.65 2khs s LYS 24 CO 0.04 -0.24 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.13 2khs s LEU 25 N 1.28 2.55 -0.27 5.43 1.02 0.03 0.09 118.68 128.81 2khs s LEU 25 Ca 0.04 -1.01 0.02 0.00 0.02 0.00 0.00 54.13 53.20 2khs s LEU 25 Cb -0.14 -0.76 0.07 0.00 0.02 0.00 0.00 46.19 45.38 2khs s LEU 25 CO -0.12 -0.12 -0.04 -0.32 0.02 0.00 0.00 176.35 175.77 2khs s MET 26 N -3.54 1.75 -0.16 1.70 1.75 0.21 0.04 119.30 121.05 2khs s MET 26 Ca 0.23 -1.32 -0.01 0.00 -1.25 0.00 0.00 55.69 53.33 2khs s MET 26 Cb -0.02 -2.79 -0.01 0.00 2.84 0.00 0.00 34.83 34.84 2khs s MET 26 CO 0.08 -0.69 -0.10 1.52 -0.65 0.00 0.00 175.02 175.18 2khs s TYR 27 N 1.19 2.87 -1.81 4.11 1.13 -0.03 0.55 117.35 125.37 2khs s TYR 27 Ca -0.02 -0.72 0.00 0.00 -1.41 0.00 0.00 57.07 54.91 2khs s TYR 27 Cb -0.19 -1.93 0.00 0.00 -1.10 0.00 0.00 41.96 38.74 2khs s TYR 27 CO -0.07 -0.31 0.00 1.63 -2.51 0.00 0.00 175.55 174.29 2khs n LYS 28 N 3.91 -1.67 -0.60 -3.49 5.02 -1.26 -0.13 118.16 119.93 2khs n LYS 28 Ca -0.18 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2khs n LYS 28 Cb 0.52 -5.61 0.00 0.00 -0.02 0.00 0.00 35.03 29.92 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 0.73 3.31 0.72 0.00 -1.26 -5.03 105.19 102.81 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 -0.40 2.75 -0.38 1.61 -1.52 0.81 -5.05 119.66 117.48 2khs s GLN 30 Ca 0.00 -1.47 -0.28 0.00 -1.95 0.00 0.00 55.36 51.66 2khs s GLN 30 Cb 0.00 -3.96 0.02 0.00 -0.22 0.00 0.00 33.01 28.85 2khs s GLN 30 CO 0.00 -1.03 1.06 -2.14 -0.25 0.00 0.00 175.29 172.92 2khs s PRO 31 N 1.51 3.90 0.05 2.91 0.02 -1.26 -0.85 135.00 141.27 2khs s PRO 31 Ca 0.04 0.78 0.03 0.00 0.02 0.00 0.00 61.00 61.86 2khs s PRO 31 Cb -0.24 -3.81 -0.02 0.00 0.02 0.00 0.00 34.50 30.44 2khs s PRO 31 CO 0.03 -1.07 -0.09 -1.64 -0.33 0.00 0.00 177.00 173.91 2khs s MET 32 N 3.86 0.57 -0.08 5.54 -1.94 0.11 -4.97 119.30 122.39 2khs s MET 32 Ca 0.44 -0.78 -0.22 0.00 -1.71 0.00 0.00 55.69 53.42 2khs s MET 32 Cb -0.10 -0.38 -0.04 0.00 2.01 0.00 0.00 34.83 36.32 2khs s MET 32 CO 0.21 0.07 0.65 0.99 -0.01 0.00 0.00 175.02 176.94 2khs s THR 33 N -1.35 5.07 -0.06 2.05 2.01 -1.26 -0.79 115.64 121.32 2khs s THR 33 Ca -0.09 1.33 0.03 0.00 0.31 0.00 0.00 61.69 63.28 2khs s THR 33 Cb -0.10 -3.99 -0.03 0.00 0.01 0.00 0.00 72.50 68.39 2khs s THR 33 CO 0.01 0.26 -0.13 -0.36 -0.69 0.00 0.00 174.62 173.71 2khs s PHE 34 N 0.82 2.75 -0.16 4.92 0.40 0.23 -0.28 117.98 126.65 2khs s PHE 34 Ca 0.35 -0.18 -0.05 0.00 -0.60 0.00 0.00 56.93 56.45 2khs s PHE 34 Cb -0.17 -1.67 -0.03 0.00 0.51 0.00 0.00 43.02 41.66 2khs s PHE 34 CO 0.16 0.17 -0.01 0.50 0.70 0.00 0.00 175.22 176.73 2khs s ARG 35 N -0.63 3.73 0.01 0.44 6.06 0.14 -1.34 118.95 127.36 2khs s ARG 35 Ca 0.09 -0.49 -0.30 0.00 -2.50 0.00 0.00 55.73 52.54 2khs s ARG 35 Cb -0.11 -2.99 -0.07 0.00 0.06 0.00 0.00 34.95 31.84 2khs s ARG 35 CO 0.01 0.23 1.71 -0.51 -2.50 0.00 0.00 175.30 174.24 2khs s LEU 36 N 0.42 4.36 0.15 -0.88 1.02 -1.20 -2.98 118.68 119.56 2khs s LEU 36 Ca -0.02 2.41 -0.31 0.00 0.02 0.00 0.00 54.13 56.22 2khs s LEU 36 Cb -0.14 -3.54 -0.09 0.00 0.02 0.00 0.00 46.19 42.44 2khs s LEU 36 CO 0.02 -0.93 1.49 -0.22 0.02 0.00 0.00 176.35 176.73 2khs s LEU 37 N 3.55 4.37 0.00 1.79 0.20 -0.67 -1.75 118.68 126.17 2khs s LEU 37 Ca 0.76 2.50 0.00 0.00 0.69 0.00 0.00 54.13 58.08 2khs s LEU 37 Cb -0.37 -3.59 0.00 0.00 -0.43 0.00 0.00 46.19 41.79 2khs s LEU 37 CO 0.33 -0.75 0.00 0.18 -0.29 0.00 0.00 176.35 175.82 2khs n LEU 38 N 3.90 0.03 -4.30 -0.68 4.77 -1.26 -4.75 117.00 114.71 2khs n LEU 38 Ca 0.13 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.77 2khs n LEU 38 Cb 0.40 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.89 2khs n LEU 38 CO 0.60 -0.02 -0.46 -0.69 -1.33 0.00 0.00 177.39 175.49 2khs s VAL 39 N -2.33 2.82 -0.20 4.08 1.01 -0.72 -0.82 120.40 124.24 2khs s VAL 39 Ca 0.00 -0.72 -0.04 0.00 0.00 0.00 0.00 61.98 61.21 2khs s VAL 39 Cb 0.00 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.26 2khs s VAL 39 CO 0.00 0.51 0.14 -1.81 0.00 0.00 0.00 175.10 173.94 2khs s ASP 40 N 0.72 2.24 -0.01 3.32 1.01 0.10 -4.60 116.67 119.46 2khs s ASP 40 Ca -0.06 -0.62 -0.15 0.00 0.71 0.00 0.00 52.55 52.43 2khs s ASP 40 Cb -0.15 -0.06 -0.33 0.00 1.01 0.00 0.00 42.92 43.38 2khs s ASP 40 CO 0.01 -0.36 0.85 0.74 0.21 0.00 0.00 175.17 176.62 2khs h THR 41 N 6.38 1.15 -1.06 -1.27 2.02 -1.85 0.17 112.91 118.46 2khs h THR 41 Ca -0.16 -2.60 -0.67 0.00 0.77 0.00 0.00 66.41 63.74 2khs h THR 41 Cb 1.13 2.94 -0.02 0.00 -1.74 0.00 0.00 68.15 70.45 2khs h THR 41 CO 0.31 0.82 1.41 -2.65 0.37 0.00 0.00 175.52 175.78 2khs n PRO 42 N -3.71 1.04 -3.75 6.66 -0.02 -1.26 -4.43 135.00 129.53 2khs n PRO 42 Ca -0.20 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.43 2khs n PRO 42 Cb 1.07 -2.43 -0.09 0.00 -0.02 0.00 0.00 33.50 32.03 2khs n PRO 42 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2khs s GLU 43 N 6.18 0.62 0.11 -0.52 2.12 -1.26 -5.02 118.70 120.93 2khs s GLU 43 Ca 1.10 -0.02 0.00 0.00 0.36 0.00 0.00 54.97 56.40 2khs s GLU 43 Cb -0.88 0.28 0.00 0.00 0.26 0.00 0.00 34.13 33.79 2khs s GLU 43 CO 0.50 -0.16 0.00 2.41 -0.54 0.00 0.00 175.26 177.47 2khs n THR 44 N 1.64 -0.14 0.97 -1.70 -1.04 -1.26 -4.45 114.28 108.30 2khs n THR 44 Ca -0.20 0.16 0.08 0.00 -2.04 0.00 0.00 64.05 62.05 2khs n THR 44 Cb 0.56 -0.25 0.46 0.00 -1.82 0.00 0.00 70.33 69.29 2khs n THR 44 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 2khs n LYS 45 N -2.50 0.48 -3.40 -2.82 2.85 -1.26 -4.34 118.16 107.17 2khs n LYS 45 Ca -0.02 0.01 -0.44 0.00 -1.05 0.00 0.00 58.31 56.81 2khs n LYS 45 Cb 0.12 -1.50 -0.06 0.00 -0.65 0.00 0.00 35.03 32.94 2khs n LYS 45 CO 0.00 0.00 0.00 -1.01 -0.05 0.00 0.00 177.40 176.34 2khs s HIS 46 N -2.03 3.36 -2.01 5.58 3.76 -1.26 -4.96 115.29 117.74 2khs s HIS 46 Ca 0.23 -1.58 0.11 0.00 -0.15 0.00 0.00 55.06 53.67 2khs s HIS 46 Cb 0.11 -3.69 0.31 0.00 1.11 0.00 0.00 32.58 30.42 2khs s HIS 46 CO 0.18 -1.01 1.26 -0.35 -0.85 0.00 0.00 174.74 173.98 2khs n PRO 47 N 4.99 1.79 -0.06 8.40 -0.04 -1.26 -2.20 135.00 146.61 2khs n PRO 47 Ca -0.09 -1.23 -0.08 0.00 -0.04 0.00 0.00 63.50 62.06 2khs n PRO 47 Cb 0.41 -1.27 -0.07 0.00 -0.04 0.00 0.00 33.50 32.53 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 0.50 0.74 -0.03 0.54 4.76 -1.26 -4.22 118.16 119.19 2khs n LYS 48 Ca 0.12 0.06 0.04 0.00 -2.87 0.00 0.00 58.31 55.66 2khs n LYS 48 Cb 0.29 -1.27 -0.15 0.00 -1.84 0.00 0.00 35.03 32.06 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2khs n LYS 49 N -2.79 0.72 0.00 1.97 4.76 -1.26 -4.55 118.16 117.01 2khs n LYS 49 Ca -0.22 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.09 2khs n LYS 49 Cb 0.77 -1.47 0.00 0.00 -1.84 0.00 0.00 35.03 32.49 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 1.52 1.15 3.47 0.72 0.00 -0.93 -4.08 105.19 107.04 2khs n GLY 50 Ca -0.11 0.29 -0.43 0.00 0.00 0.00 0.00 46.02 45.76 2khs n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2khs s VAL 51 N 0.00 4.41 0.55 1.61 1.01 -1.26 -4.77 120.40 121.94 2khs s VAL 51 Ca 0.00 -0.83 0.29 0.00 0.00 0.00 0.00 61.98 61.44 2khs s VAL 51 Cb 0.00 -4.77 0.43 0.00 0.00 0.00 0.00 36.38 32.04 2khs s VAL 51 CO 0.00 -1.54 1.93 -0.33 0.00 0.00 0.00 175.10 175.16 2khs h GLU 52 N 9.34 0.00 0.00 2.72 5.08 -1.94 0.18 114.58 129.96 2khs h GLU 52 Ca -0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2khs h GLU 52 Cb 1.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.30 2khs h GLU 52 CO 1.18 0.00 -0.02 0.87 -1.00 0.00 0.00 179.01 180.04 2khs h LYS 53 N 0.00 0.00 -0.04 2.33 1.57 -1.91 -2.58 116.57 115.94 2khs h LYS 53 Ca 0.31 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2khs h LYS 53 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.64 2khs h LYS 53 CO -0.00 0.02 0.00 0.66 -0.57 0.00 0.00 179.45 179.56 2khs n TYR 54 N -3.13 0.06 -0.04 -1.35 4.01 0.48 -4.71 117.16 112.48 2khs n TYR 54 Ca 0.00 -0.24 -0.09 0.00 -0.16 0.00 0.00 57.90 57.41 2khs n TYR 54 Cb 0.30 -0.02 -0.03 0.00 -0.31 0.00 0.00 39.34 39.28 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 0.54 0.21 0.51 2.72 0.00 -0.67 -1.23 103.07 105.14 2khs h GLY 55 Ca 0.00 -0.02 0.13 0.00 0.00 0.00 0.00 47.33 47.44 2khs h GLY 55 CO 0.00 0.00 0.60 -2.55 0.00 0.00 0.00 176.54 174.59 2khs h PRO 56 N 0.12 0.84 0.58 4.80 0.11 -1.84 -1.15 132.00 135.45 2khs h PRO 56 Ca 0.08 -0.05 -0.03 0.00 0.11 0.00 0.00 66.00 66.12 2khs h PRO 56 Cb 0.08 -0.19 0.01 0.00 0.11 0.00 0.00 31.00 31.00 2khs h PRO 56 CO -0.11 0.56 -0.28 0.93 -0.21 0.00 0.00 178.00 178.89 2khs h GLU 57 N 0.87 -0.75 -0.09 1.05 3.07 -1.78 -2.09 114.58 114.85 2khs h GLU 57 Ca 0.47 0.05 0.03 0.00 -0.50 0.00 0.00 59.36 59.41 2khs h GLU 57 Cb 0.58 0.17 -0.03 0.00 -0.84 0.00 0.00 28.75 28.63 2khs h GLU 57 CO -0.24 -0.45 -0.09 0.00 -1.40 0.00 0.00 179.01 176.83 2khs h ALA 58 N -0.63 -0.03 -0.39 3.43 0.00 -0.92 -0.31 119.26 120.41 2khs h ALA 58 Ca -0.08 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.83 2khs h ALA 58 Cb 0.65 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2khs h ALA 58 CO 0.13 -0.56 0.08 0.66 0.00 0.00 0.00 179.25 179.57 2khs h SER 59 N -0.12 0.60 0.08 0.00 4.64 -1.30 -3.04 113.55 114.41 2khs h SER 59 Ca 0.07 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.01 2khs h SER 59 Cb 0.22 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.14 2khs h SER 59 CO -0.16 0.69 -0.46 0.00 -0.87 0.00 0.00 176.83 176.04 2khs h ALA 60 N 0.94 0.88 -0.09 5.18 0.00 -1.16 -2.97 119.26 122.04 2khs h ALA 60 Ca 0.12 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2khs h ALA 60 Cb 0.33 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2khs h ALA 60 CO 0.00 0.65 0.05 0.35 0.00 0.00 0.00 179.25 180.30 2khs h PHE 61 N 0.37 0.09 -0.72 0.00 3.04 -0.95 -0.34 116.94 118.42 2khs h PHE 61 Ca 0.02 0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.96 2khs h PHE 61 Cb 0.94 -0.03 -0.03 0.00 2.56 0.00 0.00 35.95 39.39 2khs h PHE 61 CO 0.03 0.05 0.40 1.15 -2.02 0.00 0.00 178.31 177.92 2khs h THR 62 N 0.10 1.22 -0.42 4.41 2.02 -1.54 -1.31 112.91 117.41 2khs h THR 62 Ca 0.04 -0.56 0.04 0.00 0.77 0.00 0.00 66.41 66.70 2khs h THR 62 Cb 0.00 0.27 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2khs h THR 62 CO -0.02 0.25 0.19 0.11 0.37 0.00 0.00 175.52 176.41 2khs h LYS 63 N 1.00 0.37 -0.48 6.66 1.57 -1.25 -0.79 116.57 123.65 2khs h LYS 63 Ca 0.26 -0.02 -0.07 0.00 -1.87 0.00 0.00 60.65 58.94 2khs h LYS 63 Cb 0.04 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2khs h LYS 63 CO -0.04 0.24 0.03 0.87 -0.57 0.00 0.00 179.45 179.98 2khs h LYS 64 N 0.38 0.83 -0.40 3.15 1.57 -0.76 -2.39 116.57 118.96 2khs h LYS 64 Ca 0.18 -0.25 -0.03 0.00 -1.87 0.00 0.00 60.65 58.68 2khs h LYS 64 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 2khs h LYS 64 CO -0.15 0.86 0.12 0.52 -0.57 0.00 0.00 179.45 180.24 2khs h MET 65 N 0.69 0.62 0.00 3.15 2.86 -0.82 -1.16 114.93 120.27 2khs h MET 65 Ca 0.14 -0.13 -0.12 0.00 -2.06 0.00 0.00 59.70 57.53 2khs h MET 65 Cb 0.47 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.03 2khs h MET 65 CO 0.02 0.62 -0.57 -0.39 1.06 0.00 0.00 176.91 177.65 2khs h VAL 66 N 0.50 1.33 0.00 -2.22 -1.51 -1.09 -1.81 116.25 111.45 2khs h VAL 66 Ca 0.13 -2.01 -0.16 0.00 -1.23 0.00 0.00 66.70 63.43 2khs h VAL 66 Cb 0.26 2.10 -0.02 0.00 -2.13 0.00 0.00 31.29 31.50 2khs h VAL 66 CO -0.00 0.56 -0.91 -0.33 -1.23 0.00 0.00 177.57 175.66 2khs h GLU 67 N 0.00 0.00 0.00 5.19 5.08 -1.34 -3.19 114.58 120.32 2khs h GLU 67 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.25 2khs h GLU 67 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2khs h GLU 67 CO 0.07 0.60 -0.51 -0.97 -1.00 0.00 0.00 179.01 177.20 2khs h ASN 68 N 0.00 0.00 -2.05 1.42 -0.73 -1.03 -3.44 115.58 109.75 2khs h ASN 68 Ca -0.06 0.00 -0.61 0.00 1.87 0.00 0.00 56.30 57.50 2khs h ASN 68 Cb 1.58 0.00 0.02 0.00 0.27 0.00 0.00 38.32 40.19 2khs h ASN 68 CO 0.08 0.51 1.07 0.00 -0.37 0.00 0.00 177.43 178.73 2khs n ALA 69 N -2.35 0.91 0.04 1.57 0.00 -0.70 -4.84 120.51 115.15 2khs n ALA 69 Ca -0.00 0.30 -0.09 0.00 0.00 0.00 0.00 53.44 53.64 2khs n ALA 69 Cb 0.59 -2.48 -0.13 0.00 0.00 0.00 0.00 19.45 17.42 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 8.91 0.05 -4.61 0.00 6.56 -1.88 -3.44 116.57 122.16 2khs h LYS 70 Ca -0.48 -0.09 -0.55 0.00 -1.06 0.00 0.00 60.65 58.47 2khs h LYS 70 Cb 1.27 0.03 -0.34 0.00 -0.57 0.00 0.00 32.23 32.62 2khs h LYS 70 CO 0.94 0.91 -0.82 0.15 -2.06 0.00 0.00 179.45 178.57 2khs s LYS 71 N -2.67 1.92 -0.28 3.15 1.02 -1.26 -4.96 119.74 116.66 2khs s LYS 71 Ca -0.02 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.48 2khs s LYS 71 Cb 0.09 -1.64 0.03 0.00 -0.52 0.00 0.00 37.83 35.79 2khs s LYS 71 CO 0.83 -0.04 -0.01 0.42 -0.92 0.00 0.00 175.35 175.63 2khs s ILE 72 N 0.91 3.13 -0.08 2.17 1.09 -1.26 0.13 121.20 127.30 2khs s ILE 72 Ca -0.09 -1.10 0.02 0.00 -1.10 0.00 0.00 60.65 58.38 2khs s ILE 72 Cb -0.15 -2.67 -0.02 0.00 -1.06 0.00 0.00 42.46 38.55 2khs s ILE 72 CO 0.00 0.06 -0.12 -1.61 -0.10 0.00 0.00 174.94 173.18 2khs s GLU 73 N 1.33 2.80 -0.17 2.79 2.02 -0.40 0.15 118.70 127.22 2khs s GLU 73 Ca -0.01 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.29 2khs s GLU 73 Cb -0.18 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.52 2khs s GLU 73 CO -0.02 0.53 -0.05 0.14 0.02 0.00 0.00 175.26 175.89 2khs s VAL 74 N -0.48 3.67 -0.04 2.63 -7.23 -0.47 -0.90 120.40 117.58 2khs s VAL 74 Ca 0.06 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 59.85 2khs s VAL 74 Cb -0.12 -2.62 -0.03 0.00 0.56 0.00 0.00 36.38 34.17 2khs s VAL 74 CO 0.02 0.47 -0.14 -0.70 -0.31 0.00 0.00 175.10 174.44 2khs s GLU 75 N 0.70 2.48 -0.26 4.82 2.56 0.10 -2.00 118.70 127.10 2khs s GLU 75 Ca -0.02 -0.71 -0.05 0.00 0.00 0.00 0.00 54.97 54.18 2khs s GLU 75 Cb -0.15 -2.37 0.00 0.00 2.00 0.00 0.00 34.13 33.61 2khs s GLU 75 CO 0.02 0.62 0.03 0.12 -0.56 0.00 0.00 175.26 175.49 2khs s PHE 76 N -0.75 3.08 0.36 5.30 5.36 -1.26 -0.38 117.98 129.68 2khs s PHE 76 Ca 0.12 -0.98 -0.02 0.00 -0.96 0.00 0.00 56.93 55.09 2khs s PHE 76 Cb -0.11 -2.19 0.08 0.00 -0.34 0.00 0.00 43.02 40.46 2khs s PHE 76 CO 0.01 -0.56 0.49 -3.47 -1.46 0.00 0.00 175.22 170.22 2khs n ASP 77 N 4.83 0.41 0.10 6.13 -0.08 -1.26 -4.68 116.55 122.01 2khs n ASP 77 Ca -0.16 -1.41 0.07 0.00 -1.51 0.00 0.00 54.79 51.79 2khs n ASP 77 Cb 0.49 -0.34 0.38 0.00 2.34 0.00 0.00 41.12 43.99 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 -1.95 0.09 0.00 -0.67 5.02 -1.26 -4.69 118.16 114.69 2khs n LYS 78 Ca 0.07 0.59 0.00 0.00 -2.02 0.00 0.00 58.31 56.95 2khs n LYS 78 Cb 0.26 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.47 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 79 N -1.36 0.08 3.90 0.72 0.00 -1.26 -5.03 105.19 102.24 2khs n GLY 79 Ca -0.01 -1.42 -0.29 0.00 0.00 0.00 0.00 46.02 44.30 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 3.65 0.00 1.61 1.11 -1.26 -4.96 119.66 119.81 2khs s GLN 80 Ca 0.00 0.15 0.26 0.00 0.01 0.00 0.00 55.36 55.78 2khs s GLN 80 Cb 0.00 -2.53 0.72 0.00 -1.01 0.00 0.00 33.01 30.19 2khs s GLN 80 CO 0.00 0.07 1.54 -2.13 0.01 0.00 0.00 175.29 174.78 2khs n ARG 81 N -1.30 1.16 -4.81 2.91 0.63 -1.26 -4.48 116.66 109.51 2khs n ARG 81 Ca -0.00 -0.74 -0.31 0.00 -0.92 0.00 0.00 57.85 55.88 2khs n ARG 81 Cb 0.54 -1.48 -0.13 0.00 0.45 0.00 0.00 32.46 31.84 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 -2.35 2.81 0.20 5.15 -4.23 -1.26 -0.80 115.64 115.17 2khs s THR 82 Ca 0.27 -1.02 0.05 0.00 -1.18 0.00 0.00 61.69 59.81 2khs s THR 82 Cb 0.20 -2.14 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 2khs s THR 82 CO 0.47 0.45 0.27 -0.62 -0.54 0.00 0.00 174.62 174.64 2khs s ASP 83 N -1.11 6.02 0.57 3.99 2.15 0.15 -4.45 116.67 123.98 2khs s ASP 83 Ca 0.13 -0.00 0.28 0.00 0.43 0.00 0.00 52.55 53.39 2khs s ASP 83 Cb -0.10 -1.71 1.68 0.00 -0.30 0.00 0.00 42.92 42.49 2khs s ASP 83 CO 0.03 -0.01 2.20 0.07 -0.17 0.00 0.00 175.17 177.29 2khs h LYS 84 N 1.72 0.00 -0.00 4.34 2.10 -1.97 -0.45 116.57 122.31 2khs h LYS 84 Ca -0.50 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.15 2khs h LYS 84 Cb 1.22 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.55 2khs h LYS 84 CO 0.63 0.04 -0.08 0.66 -2.00 0.00 0.00 179.45 178.70 2khs n TYR 85 N -3.86 0.00 -0.44 0.07 4.01 -1.26 -4.84 117.16 110.84 2khs n TYR 85 Ca -0.03 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2khs n TYR 85 Cb 0.12 -0.14 0.00 0.00 -0.31 0.00 0.00 39.34 39.02 2khs n TYR 85 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2khs n GLY 86 N 1.22 1.11 0.53 2.72 0.00 -0.19 -5.08 105.19 105.51 2khs n GLY 86 Ca 0.16 -0.31 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 2khs n GLY 86 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs n ARG 87 N -1.74 0.91 -4.53 1.61 3.00 -1.15 -4.82 116.66 109.94 2khs n ARG 87 Ca 0.00 -0.42 -0.32 0.00 -0.01 0.00 0.00 57.85 57.10 2khs n ARG 87 Cb 0.07 -0.04 -0.11 0.00 0.00 0.00 0.00 32.46 32.38 2khs n ARG 87 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2khs s GLY 88 N -2.39 1.69 -0.39 -0.13 0.00 0.62 0.30 107.32 107.01 2khs s GLY 88 Ca 0.08 -1.08 -0.13 0.00 0.00 0.00 0.00 44.72 43.59 2khs s GLY 88 CO 0.05 -0.96 0.26 1.08 0.00 0.00 0.00 173.10 173.54 2khs s LEU 89 N -1.44 4.92 0.06 0.66 1.43 0.02 -0.69 118.68 123.65 2khs s LEU 89 Ca 0.16 -0.90 -0.22 0.00 -1.03 0.00 0.00 54.13 52.15 2khs s LEU 89 Cb -0.11 -2.11 0.05 0.00 0.03 0.00 0.00 46.19 44.05 2khs s LEU 89 CO 0.07 -0.41 0.51 0.00 0.23 0.00 0.00 176.35 176.75 2khs s ALA 90 N 1.64 -1.29 -0.06 4.21 0.00 -1.16 -4.54 121.76 120.56 2khs s ALA 90 Ca 0.04 0.52 0.01 0.00 0.00 0.00 0.00 51.96 52.53 2khs s ALA 90 Cb -0.19 0.43 -0.03 0.00 0.00 0.00 0.00 23.12 23.33 2khs s ALA 90 CO 0.09 -0.53 -0.06 1.52 0.00 0.00 0.00 175.76 176.78 2khs s TYR 91 N -2.63 2.96 -0.18 0.00 -0.85 0.49 -1.66 117.35 115.47 2khs s TYR 91 Ca -0.04 0.03 -0.11 0.00 -0.52 0.00 0.00 57.07 56.43 2khs s TYR 91 Cb -0.00 -1.70 -0.05 0.00 0.38 0.00 0.00 41.96 40.59 2khs s TYR 91 CO -0.03 0.36 0.18 0.42 -1.52 0.00 0.00 175.55 174.95 2khs s ILE 92 N -0.86 5.39 -0.18 -3.49 -1.09 -1.26 0.03 121.20 119.74 2khs s ILE 92 Ca 0.13 0.29 -0.05 0.00 -2.23 0.00 0.00 60.65 58.80 2khs s ILE 92 Cb -0.11 -3.51 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 2khs s ILE 92 CO 0.03 0.44 0.00 -0.31 -1.23 0.00 0.00 174.94 173.87 2khs s TYR 93 N 0.25 3.08 -0.50 3.97 1.51 -0.08 -0.51 117.35 125.06 2khs s TYR 93 Ca 0.11 -0.28 -0.11 0.00 -1.01 0.00 0.00 57.07 55.78 2khs s TYR 93 Cb -0.12 -2.04 0.13 0.00 -0.11 0.00 0.00 41.96 39.82 2khs s TYR 93 CO 0.00 -0.08 0.40 0.00 -1.11 0.00 0.00 175.55 174.76 2khs s ALA 94 N 0.64 3.48 -1.71 3.71 0.00 0.21 -1.27 121.76 126.83 2khs s ALA 94 Ca -0.00 -2.59 -0.17 0.00 0.00 0.00 0.00 51.96 49.20 2khs s ALA 94 Cb -0.14 -2.95 0.15 0.00 0.00 0.00 0.00 23.12 20.18 2khs s ALA 94 CO 0.02 -1.95 0.66 -0.40 0.00 0.00 0.00 175.76 174.09 2khs n ASP 95 N 4.92 -2.43 0.00 0.00 5.75 0.12 -0.29 116.55 124.61 2khs n ASP 95 Ca -0.08 -1.08 0.00 0.00 -0.01 0.00 0.00 54.79 53.62 2khs n ASP 95 Cb 0.41 -2.46 0.00 0.00 -1.03 0.00 0.00 41.12 38.03 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2khs n GLY 96 N -1.46 2.73 3.58 6.12 0.00 -1.26 -4.95 105.19 109.95 2khs n GLY 96 Ca 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.43 3.70 -0.54 1.61 1.02 0.60 -4.98 119.74 120.71 2khs s LYS 97 Ca 0.00 0.24 -0.28 0.00 0.02 0.00 0.00 55.97 55.96 2khs s LYS 97 Cb 0.00 -3.83 0.01 0.00 -0.52 0.00 0.00 37.83 33.49 2khs s LYS 97 CO 0.00 -0.90 1.48 1.41 -0.92 0.00 0.00 175.35 176.42 2khs s MET 98 N 3.14 3.27 0.44 1.68 -2.45 -1.26 0.68 119.30 124.80 2khs s MET 98 Ca 0.31 0.58 0.15 0.00 -1.25 0.00 0.00 55.69 55.48 2khs s MET 98 Cb -0.13 -4.14 0.98 0.00 1.25 0.00 0.00 34.83 32.79 2khs s MET 98 CO 0.18 -1.97 1.98 0.28 1.05 0.00 0.00 175.02 176.53 2khs h VAL 99 N 6.46 1.13 -0.93 10.11 2.07 -1.16 -1.48 116.25 132.45 2khs h VAL 99 Ca -0.27 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 66.54 2khs h VAL 99 Cb 1.11 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 32.21 2khs h VAL 99 CO 1.16 0.20 0.55 -1.13 0.02 0.00 0.00 177.57 178.37 2khs h ASN 100 N 0.00 1.14 0.31 0.57 -1.24 -1.88 0.11 115.58 114.59 2khs h ASN 100 Ca -0.00 -0.08 -0.02 0.00 0.71 0.00 0.00 56.30 56.91 2khs h ASN 100 Cb 0.36 -0.29 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2khs h ASN 100 CO 0.03 0.88 -0.15 -0.08 -1.29 0.00 0.00 177.43 176.82 2khs h GLU 101 N 1.29 -0.40 -0.45 6.67 4.57 -1.62 -3.09 114.58 121.55 2khs h GLU 101 Ca 0.33 0.03 0.08 0.00 -1.18 0.00 0.00 59.36 58.62 2khs h GLU 101 Cb -0.03 0.09 -0.07 0.00 -0.16 0.00 0.00 28.75 28.58 2khs h GLU 101 CO -0.06 -0.12 0.03 0.00 -1.18 0.00 0.00 179.01 177.68 2khs h ALA 102 N -0.07 0.45 -0.19 2.92 0.00 -0.88 0.36 119.26 121.85 2khs h ALA 102 Ca -0.04 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2khs h ALA 102 Cb 0.47 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2khs h ALA 102 CO 0.07 -0.37 0.12 -0.07 0.00 0.00 0.00 179.25 179.01 2khs h LEU 103 N 0.15 0.21 -0.44 0.00 3.38 -1.06 0.72 115.31 118.27 2khs h LEU 103 Ca 0.23 -0.00 -0.18 0.00 0.09 0.00 0.00 57.88 58.01 2khs h LEU 103 Cb 0.32 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2khs h LEU 103 CO -0.35 0.15 -0.69 0.58 0.09 0.00 0.00 178.44 178.22 2khs h VAL 104 N 0.25 1.37 -0.59 1.22 2.07 -1.36 0.29 116.25 119.50 2khs h VAL 104 Ca 0.07 -2.07 -0.08 0.00 0.82 0.00 0.00 66.70 65.44 2khs h VAL 104 Cb -0.02 2.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2khs h VAL 104 CO -0.02 0.63 0.07 -0.09 0.02 0.00 0.00 177.57 178.17 2khs h ARG 105 N 0.29 1.00 -0.00 1.57 9.65 0.01 -1.96 114.38 124.93 2khs h ARG 105 Ca -0.02 -0.28 0.00 0.00 -1.10 0.00 0.00 59.98 58.57 2khs h ARG 105 Cb 1.26 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.73 2khs h ARG 105 CO 0.12 0.96 -0.06 1.04 2.80 0.00 0.00 179.97 184.82 2khs n GLN 106 N -4.28 0.87 -3.02 0.20 3.00 0.22 -4.92 117.38 109.45 2khs n GLN 106 Ca 0.03 -0.27 -0.13 0.00 -0.01 0.00 0.00 57.00 56.62 2khs n GLN 106 Cb 0.30 -1.49 0.04 0.00 0.00 0.00 0.00 30.24 29.08 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 1.20 0.11 1.02 1.08 0.00 -0.74 -4.90 105.19 102.96 2khs n GLY 107 Ca 0.17 -0.18 0.11 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.86 3.22 -3.64 0.99 4.77 0.95 -4.94 117.00 115.49 2khs n LEU 108 Ca -0.01 -1.44 -0.07 0.00 -0.03 0.00 0.00 56.01 54.47 2khs n LEU 108 Cb 0.54 -0.20 -0.02 0.00 -2.33 0.00 0.00 43.42 41.42 2khs n LEU 108 CO 0.34 0.68 0.64 0.00 -1.33 0.00 0.00 177.39 177.72 2khs s ALA 109 N -1.44 -1.65 0.35 -1.18 0.00 -1.20 -4.74 121.76 111.89 2khs s ALA 109 Ca 0.34 0.42 0.08 0.00 0.00 0.00 0.00 51.96 52.79 2khs s ALA 109 Cb 0.20 0.62 -0.04 0.00 0.00 0.00 0.00 23.12 23.90 2khs s ALA 109 CO 0.28 -0.89 0.16 0.15 0.00 0.00 0.00 175.76 175.46 2khs s LYS 110 N -3.36 2.37 0.18 0.00 1.02 0.60 -4.55 119.74 116.00 2khs s LYS 110 Ca 0.08 -1.57 -0.30 0.00 0.02 0.00 0.00 55.97 54.20 2khs s LYS 110 Cb -0.02 -2.17 -0.08 0.00 -0.52 0.00 0.00 37.83 35.05 2khs s LYS 110 CO -0.03 0.08 1.06 0.08 -0.92 0.00 0.00 175.35 175.61 2khs s VAL 111 N -2.44 3.97 0.26 3.17 1.01 -1.26 0.01 120.40 125.12 2khs s VAL 111 Ca 0.38 1.74 -0.12 0.00 0.00 0.00 0.00 61.98 63.98 2khs s VAL 111 Cb -0.02 -4.11 -0.08 0.00 0.00 0.00 0.00 36.38 32.17 2khs s VAL 111 CO 0.23 0.32 0.63 0.00 0.00 0.00 0.00 175.10 176.28 2khs s ALA 112 N -0.39 3.47 0.45 5.51 0.00 0.00 -4.66 121.76 126.15 2khs s ALA 112 Ca 0.47 -0.12 -0.23 0.00 0.00 0.00 0.00 51.96 52.08 2khs s ALA 112 Cb -0.28 -2.58 -0.08 0.00 0.00 0.00 0.00 23.12 20.18 2khs s ALA 112 CO 0.34 0.43 1.12 -0.47 0.00 0.00 0.00 175.76 177.18 2khs s TYR 113 N -1.85 2.98 -0.11 0.00 5.04 -1.26 -4.64 117.35 117.51 2khs s TYR 113 Ca 0.49 1.57 -0.22 0.00 -2.44 0.00 0.00 57.07 56.47 2khs s TYR 113 Cb -0.11 -3.27 -0.03 0.00 0.35 0.00 0.00 41.96 38.89 2khs s TYR 113 CO 0.20 -1.20 0.64 0.14 -1.34 0.00 0.00 175.55 173.99 2khs s VAL 114 N -1.64 5.06 -0.98 3.14 -7.23 -1.26 -4.91 120.40 112.58 2khs s VAL 114 Ca 0.63 1.29 -0.13 0.00 -1.81 0.00 0.00 61.98 61.96 2khs s VAL 114 Cb -0.25 -3.98 0.22 0.00 0.56 0.00 0.00 36.38 32.93 2khs s VAL 114 CO 0.30 0.23 1.01 -0.31 -0.31 0.00 0.00 175.10 176.03 2khs s TYR 115 N 1.06 3.80 -0.23 2.82 2.02 -1.26 -4.91 117.35 120.65 2khs s TYR 115 Ca 0.33 -2.15 0.00 0.00 -0.37 0.00 0.00 57.07 54.88 2khs s TYR 115 Cb -0.17 -3.96 0.06 0.00 -0.40 0.00 0.00 41.96 37.50 2khs s TYR 115 CO 0.14 -1.10 -0.02 0.15 -1.57 0.00 0.00 175.55 173.15 2khs s LYS 116 N 0.24 1.37 0.00 -0.62 -0.14 -1.26 -4.73 119.74 114.61 2khs s LYS 116 Ca 0.27 -0.91 0.00 0.00 -1.36 0.00 0.00 55.97 53.97 2khs s LYS 116 Cb -0.08 -2.48 0.00 0.00 -1.68 0.00 0.00 37.83 33.58 2khs s LYS 116 CO -0.08 -0.64 0.00 -0.35 -0.76 0.00 0.00 175.35 173.52 2khs n PRO 117 N 4.74 3.01 -0.79 -1.68 -0.04 -1.26 -4.79 135.00 134.19 2khs n PRO 117 Ca -0.10 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2khs n PRO 117 Cb 0.44 0.00 -0.10 0.00 -0.04 0.00 0.00 33.50 33.80 2khs n PRO 117 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2khs n ASN 118 N 0.00 5.20 0.13 3.54 2.85 -1.26 -3.55 115.26 122.17 2khs n ASN 118 Ca 0.00 -2.43 0.12 0.00 -0.11 0.00 0.00 54.58 52.16 2khs n ASN 118 Cb 0.00 -1.29 0.17 0.00 1.24 0.00 0.00 39.78 39.90 2khs n ASN 118 CO 0.00 0.00 0.00 -1.13 -2.11 0.00 0.00 177.26 174.02 2khs h ASN 119 N 2.27 0.00 -0.12 1.20 -0.73 -2.01 -3.19 115.58 113.01 2khs h ASN 119 Ca 0.11 -0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.24 2khs h ASN 119 Cb 1.30 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.89 2khs h ASN 119 CO 0.14 0.02 0.00 0.35 -0.37 0.00 0.00 177.43 177.58 2khs n THR 120 N -2.61 0.53 1.55 -3.57 -2.24 -1.23 -5.23 114.28 101.48 2khs n THR 120 Ca 0.03 -0.27 0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2khs n THR 120 Cb 0.50 -0.43 0.73 0.00 -2.10 0.00 0.00 70.33 69.03 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.57 0.00 0.00 175.07 176.07