#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs s THR 2 N 0.00 3.79 -0.03 0.00 -4.23 -1.26 -4.78 115.64 109.13 2khs s THR 2 Ca 0.00 0.19 -0.23 0.00 -1.18 0.00 0.00 61.69 60.46 2khs s THR 2 Cb 0.00 -4.92 -0.22 0.00 1.34 0.00 0.00 72.50 68.69 2khs s THR 2 CO 0.00 -1.84 1.08 0.28 -0.54 0.00 0.00 174.62 173.59 2khs h SER 3 N 9.96 0.29 -2.01 3.99 0.02 -2.04 -3.36 113.55 120.40 2khs h SER 3 Ca -0.21 -0.74 -0.74 0.00 -0.84 0.00 0.00 61.79 59.26 2khs h SER 3 Cb 1.05 -0.09 -0.17 0.00 0.14 0.00 0.00 62.40 63.33 2khs h SER 3 CO 1.29 0.98 1.50 0.41 -1.14 0.00 0.00 176.83 179.87 2khs n THR 4 N -4.47 4.27 0.07 -2.27 -1.04 -1.26 -4.63 114.28 104.95 2khs n THR 4 Ca -0.09 -4.66 -0.06 0.00 -2.04 0.00 0.00 64.05 57.19 2khs n THR 4 Cb 0.51 -2.44 -0.10 0.00 -1.82 0.00 0.00 70.33 66.48 2khs n THR 4 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2khs h LYS 5 N 6.86 0.00 0.00 -2.82 1.57 -1.99 -3.44 116.57 116.75 2khs h LYS 5 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2khs h LYS 5 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2khs h LYS 5 CO 1.32 0.92 0.00 1.17 -0.57 0.00 0.00 179.45 182.29 2khs n LYS 6 N -3.32 0.00 -2.23 3.15 4.81 -1.26 -5.17 118.16 114.14 2khs n LYS 6 Ca -0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.39 2khs n LYS 6 Cb 0.92 0.00 -0.00 0.00 0.02 0.00 0.00 35.03 35.97 2khs n LYS 6 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2khs n LEU 7 N -1.99 0.00 -4.44 3.14 4.77 -1.26 -5.09 117.00 112.12 2khs n LEU 7 Ca 0.00 -0.98 -0.44 0.00 -0.03 0.00 0.00 56.01 54.56 2khs n LEU 7 Cb 0.00 1.13 -0.07 0.00 -2.33 0.00 0.00 43.42 42.15 2khs n LEU 7 CO 0.00 -0.27 0.28 -2.28 -1.33 0.00 0.00 177.39 173.79 2khs s HIS 8 N -5.32 3.08 -0.22 -1.77 5.65 -1.24 -4.74 115.29 110.74 2khs s HIS 8 Ca 0.08 -0.57 -0.14 0.00 0.25 0.00 0.00 55.06 54.68 2khs s HIS 8 Cb -0.01 -3.45 -0.04 0.00 -1.18 0.00 0.00 32.58 27.90 2khs s HIS 8 CO 0.06 -0.98 0.32 0.21 -0.65 0.00 0.00 174.74 173.70 2khs s LYS 9 N 2.47 4.13 0.01 2.88 2.20 -1.26 -1.57 119.74 128.60 2khs s LYS 9 Ca 0.14 0.04 0.02 0.00 -0.36 0.00 0.00 55.97 55.80 2khs s LYS 9 Cb -0.20 -3.54 -0.01 0.00 -1.51 0.00 0.00 37.83 32.57 2khs s LYS 9 CO 0.11 -0.01 -0.07 -1.83 -0.36 0.00 0.00 175.35 173.19 2khs s GLU 10 N 1.25 0.51 0.38 4.03 -1.05 -0.22 -5.00 118.70 118.61 2khs s GLU 10 Ca 0.15 -0.41 -0.23 0.00 -0.15 0.00 0.00 54.97 54.33 2khs s GLU 10 Cb -0.14 -0.43 -0.10 0.00 -0.44 0.00 0.00 34.13 33.01 2khs s GLU 10 CO 0.07 0.11 0.95 -2.14 0.95 0.00 0.00 175.26 175.19 2khs s PRO 11 N -0.64 4.39 0.32 -4.83 0.02 -1.26 -0.20 135.00 132.81 2khs s PRO 11 Ca -0.02 1.22 0.03 0.00 0.02 0.00 0.00 61.00 62.26 2khs s PRO 11 Cb -0.05 -2.47 -0.05 0.00 0.02 0.00 0.00 34.50 31.95 2khs s PRO 11 CO 0.00 0.11 0.08 0.00 -0.33 0.00 0.00 177.00 176.86 2khs s ALA 12 N -1.92 2.30 0.05 -1.55 0.00 0.62 -4.38 121.76 116.89 2khs s ALA 12 Ca 0.56 -1.89 0.08 0.00 0.00 0.00 0.00 51.96 50.72 2khs s ALA 12 Cb -0.14 0.77 -0.03 0.00 0.00 0.00 0.00 23.12 23.72 2khs s ALA 12 CO 0.18 -0.35 -0.20 0.99 0.00 0.00 0.00 175.76 176.38 2khs s THR 13 N -3.39 2.64 -0.12 0.00 2.01 0.21 -4.35 115.64 112.63 2khs s THR 13 Ca 0.35 -1.28 -0.22 0.00 0.31 0.00 0.00 61.69 60.85 2khs s THR 13 Cb 0.08 -2.11 -0.03 0.00 0.01 0.00 0.00 72.50 70.45 2khs s THR 13 CO 0.15 0.31 0.64 -0.22 -0.69 0.00 0.00 174.62 174.81 2khs s LEU 14 N -1.48 4.25 -0.22 4.42 2.96 -1.26 0.34 118.68 127.69 2khs s LEU 14 Ca 0.14 1.01 -0.18 0.00 -0.22 0.00 0.00 54.13 54.89 2khs s LEU 14 Cb -0.10 -2.96 -0.15 0.00 0.50 0.00 0.00 46.19 43.48 2khs s LEU 14 CO 0.05 -0.15 -0.01 -0.38 -1.32 0.00 0.00 176.35 174.54 2khs n ILE 15 N 4.05 1.52 -3.64 6.68 2.08 0.49 -4.87 119.36 125.66 2khs n ILE 15 Ca -0.02 -0.09 -0.05 0.00 0.56 0.00 0.00 62.75 63.15 2khs n ILE 15 Cb 0.51 -2.05 -0.07 0.00 -0.75 0.00 0.00 39.64 37.28 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 -2.42 0.40 -0.02 0.38 2.47 -0.72 -5.01 119.74 114.83 2khs s LYS 16 Ca -0.30 0.60 -0.25 0.00 -1.56 0.00 0.00 55.97 54.45 2khs s LYS 16 Cb 0.08 0.13 -0.04 0.00 -1.46 0.00 0.00 37.83 36.54 2khs s LYS 16 CO 0.52 -0.07 0.77 0.00 0.16 0.00 0.00 175.35 176.73 2khs s ALA 17 N 0.87 3.31 -0.05 3.13 0.00 -1.26 -0.09 121.76 127.67 2khs s ALA 17 Ca -0.04 0.26 -0.07 0.00 0.00 0.00 0.00 51.96 52.11 2khs s ALA 17 Cb -0.04 -3.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 2khs s ALA 17 CO -0.12 -0.07 -0.14 -0.89 0.00 0.00 0.00 175.76 174.55 2khs n ILE 18 N 3.48 0.79 -2.27 0.00 5.41 -0.82 -4.94 119.36 121.00 2khs n ILE 18 Ca -0.00 0.28 0.00 0.00 1.00 0.00 0.00 62.75 64.03 2khs n ILE 18 Cb 0.51 -1.78 0.00 0.00 -0.71 0.00 0.00 39.64 37.66 2khs n ILE 18 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2khs n ASP 19 N -3.43 0.47 -2.56 4.38 8.00 -0.29 -5.02 116.55 118.10 2khs n ASP 19 Ca -0.05 0.00 -0.36 0.00 0.71 0.00 0.00 54.79 55.08 2khs n ASP 19 Cb 0.20 0.00 0.06 0.00 -0.02 0.00 0.00 41.12 41.36 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 4.32 5.76 0.03 0.44 0.00 -1.26 -4.37 105.19 110.12 2khs n GLY 20 Ca 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 46.02 43.61 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 -0.74 -0.04 -4.58 1.61 -0.08 -1.26 -4.82 116.55 106.64 2khs n ASP 21 Ca 0.58 0.31 -0.42 0.00 -1.51 0.00 0.00 54.79 53.75 2khs n ASP 21 Cb 0.50 0.34 -0.02 0.00 2.34 0.00 0.00 41.12 44.27 2khs n ASP 21 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 2khs s THR 22 N -2.00 3.84 0.08 5.18 -4.23 -1.26 -4.17 115.64 113.08 2khs s THR 22 Ca 0.00 0.76 0.05 0.00 -1.18 0.00 0.00 61.69 61.32 2khs s THR 22 Cb 0.00 -4.41 -0.03 0.00 1.34 0.00 0.00 72.50 69.40 2khs s THR 22 CO 0.00 -1.09 -0.14 0.68 -0.54 0.00 0.00 174.62 173.53 2khs s VAL 23 N 5.81 1.13 -0.30 2.29 -7.23 -1.13 -1.14 120.40 119.84 2khs s VAL 23 Ca 0.53 -1.39 -0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2khs s VAL 23 Cb -0.11 -1.16 0.01 0.00 0.56 0.00 0.00 36.38 35.69 2khs s VAL 23 CO 0.27 -0.28 0.08 -0.75 -0.31 0.00 0.00 175.10 174.11 2khs s LYS 24 N -1.95 3.06 0.26 4.82 2.20 0.88 0.44 119.74 129.44 2khs s LYS 24 Ca 0.00 -0.88 0.11 0.00 -0.36 0.00 0.00 55.97 54.84 2khs s LYS 24 Cb -0.09 -3.37 -0.05 0.00 -1.51 0.00 0.00 37.83 32.81 2khs s LYS 24 CO 0.02 -0.46 -0.19 -0.51 -0.36 0.00 0.00 175.35 173.85 2khs s LEU 25 N 1.49 2.57 -0.21 5.43 1.02 -0.13 -0.38 118.68 128.47 2khs s LEU 25 Ca 0.02 -1.02 0.01 0.00 0.02 0.00 0.00 54.13 53.17 2khs s LEU 25 Cb -0.17 -1.01 0.03 0.00 0.02 0.00 0.00 46.19 45.06 2khs s LEU 25 CO 0.02 -0.00 -0.16 -0.32 0.02 0.00 0.00 176.35 175.92 2khs s MET 26 N -3.49 2.73 -0.19 1.70 1.75 0.15 0.18 119.30 122.13 2khs s MET 26 Ca 0.28 -1.01 0.01 0.00 -1.25 0.00 0.00 55.69 53.71 2khs s MET 26 Cb -0.04 -2.72 0.02 0.00 2.84 0.00 0.00 34.83 34.93 2khs s MET 26 CO 0.13 -0.35 -0.19 1.52 -0.65 0.00 0.00 175.02 175.48 2khs s TYR 27 N 1.23 2.81 -1.83 4.11 1.13 0.48 0.64 117.35 125.93 2khs s TYR 27 Ca -0.00 -1.65 0.00 0.00 -1.41 0.00 0.00 57.07 54.01 2khs s TYR 27 Cb -0.16 -1.93 0.00 0.00 -1.10 0.00 0.00 41.96 38.77 2khs s TYR 27 CO -0.09 -0.80 0.00 1.63 -2.51 0.00 0.00 175.55 173.77 2khs n LYS 28 N 4.62 -1.56 -0.28 -3.49 5.02 -1.26 -0.57 118.16 120.64 2khs n LYS 28 Ca -0.21 1.03 0.00 0.00 -2.02 0.00 0.00 58.31 57.12 2khs n LYS 28 Cb 0.50 -5.59 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 -0.89 0.72 3.34 0.72 0.00 -1.26 -5.05 105.19 102.77 2khs n GLY 29 Ca -0.23 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.34 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 -0.72 2.95 -0.66 1.61 1.11 0.27 -5.03 119.66 119.20 2khs s GLN 30 Ca 0.00 -1.55 -0.25 0.00 0.01 0.00 0.00 55.36 53.57 2khs s GLN 30 Cb 0.00 -4.20 0.04 0.00 -1.01 0.00 0.00 33.01 27.85 2khs s GLN 30 CO 0.00 -1.18 1.12 -1.25 0.01 0.00 0.00 175.29 173.99 2khs s PRO 31 N 1.60 3.24 0.07 2.91 0.05 -1.26 -0.39 135.00 141.23 2khs s PRO 31 Ca 0.04 -0.33 0.08 0.00 0.05 0.00 0.00 61.00 60.83 2khs s PRO 31 Cb -0.27 -4.15 -0.03 0.00 0.05 0.00 0.00 34.50 30.10 2khs s PRO 31 CO 0.04 -1.87 -0.21 -1.64 0.05 0.00 0.00 177.00 173.38 2khs s MET 32 N 4.84 1.24 -0.22 4.56 -1.94 0.13 -4.95 119.30 122.96 2khs s MET 32 Ca 0.32 -1.05 -0.24 0.00 -1.71 0.00 0.00 55.69 53.01 2khs s MET 32 Cb -0.11 -1.43 -0.01 0.00 2.01 0.00 0.00 34.83 35.28 2khs s MET 32 CO 0.16 0.35 0.78 0.99 -0.01 0.00 0.00 175.02 177.29 2khs s THR 33 N -0.98 4.89 0.28 2.05 2.01 -1.26 -0.96 115.64 121.66 2khs s THR 33 Ca 0.07 1.48 0.05 0.00 0.31 0.00 0.00 61.69 63.60 2khs s THR 33 Cb -0.09 -4.08 -0.02 0.00 0.01 0.00 0.00 72.50 68.31 2khs s THR 33 CO 0.03 -0.01 0.41 -0.36 -0.69 0.00 0.00 174.62 173.99 2khs s PHE 34 N 2.51 3.35 -0.04 4.92 0.40 0.17 0.33 117.98 129.62 2khs s PHE 34 Ca 0.34 -0.05 0.01 0.00 -0.60 0.00 0.00 56.93 56.63 2khs s PHE 34 Cb -0.16 -1.72 0.02 0.00 0.51 0.00 0.00 43.02 41.67 2khs s PHE 34 CO 0.09 0.28 -0.05 0.50 0.70 0.00 0.00 175.22 176.74 2khs s ARG 35 N -4.06 0.79 0.09 0.44 6.06 0.52 -2.83 118.95 119.95 2khs s ARG 35 Ca 0.38 -0.12 -0.31 0.00 -2.50 0.00 0.00 55.73 53.18 2khs s ARG 35 Cb -0.09 -0.79 -0.07 0.00 0.06 0.00 0.00 34.95 34.06 2khs s ARG 35 CO 0.30 -0.05 1.37 -0.51 -2.50 0.00 0.00 175.30 173.91 2khs s LEU 36 N 0.77 4.36 0.10 -0.88 1.02 -1.26 -3.03 118.68 119.76 2khs s LEU 36 Ca -0.10 2.26 -0.33 0.00 0.02 0.00 0.00 54.13 55.98 2khs s LEU 36 Cb -0.13 -3.58 -0.12 0.00 0.02 0.00 0.00 46.19 42.38 2khs s LEU 36 CO 0.00 -0.64 1.76 0.18 0.02 0.00 0.00 176.35 177.67 2khs n LEU 37 N 4.15 3.63 -0.75 1.79 4.77 -0.50 -2.40 117.00 127.68 2khs n LEU 37 Ca 0.11 1.02 -0.08 0.00 -0.03 0.00 0.00 56.01 57.03 2khs n LEU 37 Cb 0.43 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.02 2khs n LEU 37 CO 0.58 -0.01 -0.09 0.18 -1.33 0.00 0.00 177.39 176.72 2khs n LEU 38 N 5.02 -0.87 -4.50 2.23 4.77 -1.26 -4.92 117.00 117.45 2khs n LEU 38 Ca 0.18 0.13 -0.33 0.00 -0.03 0.00 0.00 56.01 55.96 2khs n LEU 38 Cb 0.33 -1.46 -0.12 0.00 -2.33 0.00 0.00 43.42 39.84 2khs n LEU 38 CO 0.66 -0.32 -0.40 -0.69 -1.33 0.00 0.00 177.39 175.32 2khs s VAL 39 N -2.35 3.52 -0.28 4.08 1.01 -1.01 -0.22 120.40 125.15 2khs s VAL 39 Ca 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2khs s VAL 39 Cb 0.00 -2.46 0.07 0.00 0.00 0.00 0.00 36.38 33.99 2khs s VAL 39 CO 0.00 0.56 -0.04 -0.62 0.00 0.00 0.00 175.10 175.00 2khs s ASP 40 N -0.29 4.34 0.30 3.32 2.15 1.00 -4.46 116.67 123.03 2khs s ASP 40 Ca 0.03 -1.55 0.03 0.00 0.43 0.00 0.00 52.55 51.50 2khs s ASP 40 Cb -0.13 -1.42 -0.03 0.00 -0.30 0.00 0.00 42.92 41.04 2khs s ASP 40 CO 0.03 -0.27 0.46 0.42 -0.17 0.00 0.00 175.17 175.64 2khs s THR 41 N 1.16 5.03 -0.68 1.71 -4.23 -1.26 0.11 115.64 117.50 2khs s THR 41 Ca -0.02 -0.75 -0.18 0.00 -1.18 0.00 0.00 61.69 59.56 2khs s THR 41 Cb -0.19 -3.80 -0.15 0.00 1.34 0.00 0.00 72.50 69.69 2khs s THR 41 CO -0.07 -0.41 1.88 -0.81 -0.54 0.00 0.00 174.62 174.66 2khs n PRO 42 N -1.62 1.38 -1.75 3.99 -0.04 -1.26 -4.91 135.00 130.79 2khs n PRO 42 Ca -0.06 -1.59 -0.29 0.00 -0.04 0.00 0.00 63.50 61.52 2khs n PRO 42 Cb 0.57 -2.72 0.12 0.00 -0.04 0.00 0.00 33.50 31.43 2khs n PRO 42 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2khs s GLU 43 N 4.86 1.50 0.00 0.54 2.02 -1.26 -2.65 118.70 123.71 2khs s GLU 43 Ca 0.51 0.13 0.00 0.00 0.02 0.00 0.00 54.97 55.64 2khs s GLU 43 Cb 0.13 -1.89 0.00 0.00 0.10 0.00 0.00 34.13 32.46 2khs s GLU 43 CO 0.10 -1.92 0.00 2.41 0.02 0.00 0.00 175.26 175.87 2khs n THR 44 N -3.55 0.00 -0.01 3.63 -1.04 -1.26 -4.30 114.28 107.75 2khs n THR 44 Ca 0.08 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.03 2khs n THR 44 Cb 0.60 0.00 0.14 0.00 -1.82 0.00 0.00 70.33 69.25 2khs n THR 44 CO 0.00 0.00 0.00 0.11 -0.64 0.00 0.00 175.07 174.54 2khs h LYS 45 N 0.00 0.57 -3.67 -2.82 1.79 -1.97 -3.49 116.57 106.98 2khs h LYS 45 Ca 0.00 -0.24 0.00 0.00 -2.18 0.00 0.00 60.65 58.23 2khs h LYS 45 Cb 0.00 -0.02 -0.04 0.00 -1.58 0.00 0.00 32.23 30.60 2khs h LYS 45 CO 0.00 0.81 -0.50 0.72 -1.08 0.00 0.00 179.45 179.40 2khs n HIS 46 N -4.08 -1.47 -1.67 -1.35 8.25 -1.09 -4.15 115.22 109.66 2khs n HIS 46 Ca -0.01 0.82 -0.45 0.00 -0.26 0.00 0.00 57.72 57.82 2khs n HIS 46 Cb 0.45 -2.32 -0.03 0.00 1.12 0.00 0.00 29.99 29.21 2khs n HIS 46 CO 0.00 0.00 0.00 -2.30 0.64 0.00 0.00 176.34 174.68 2khs n PRO 47 N 0.50 2.07 0.00 -0.41 -0.02 -1.25 -1.67 135.00 134.23 2khs n PRO 47 Ca -0.12 0.74 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 2khs n PRO 47 Cb 0.18 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2khs n PRO 47 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2khs n LYS 48 N 2.43 0.00 -0.21 -0.52 5.02 -1.16 -4.56 118.16 119.16 2khs n LYS 48 Ca 0.13 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.41 2khs n LYS 48 Cb 0.31 -0.15 0.20 0.00 -0.02 0.00 0.00 35.03 35.37 2khs n LYS 48 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2khs h LYS 49 N 0.00 0.98 0.00 1.97 1.79 -1.84 -3.35 116.57 116.12 2khs h LYS 49 Ca 0.00 -0.11 -0.12 0.00 -2.18 0.00 0.00 60.65 58.24 2khs h LYS 49 Cb 0.00 -0.19 -0.17 0.00 -1.58 0.00 0.00 32.23 30.28 2khs h LYS 49 CO 0.00 0.73 -0.47 0.41 -1.08 0.00 0.00 179.45 179.04 2khs n GLY 50 N -1.19 0.70 2.58 3.86 0.00 -0.67 -5.03 105.19 105.44 2khs n GLY 50 Ca 0.07 -0.23 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 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 0.25 -0.08 1.61 1.01 -1.23 -4.92 120.40 117.04 2khs s VAL 51 Ca 0.09 -1.11 0.14 0.00 0.00 0.00 0.00 61.98 61.10 2khs s VAL 51 Cb 0.11 -1.21 -0.22 0.00 0.00 0.00 0.00 36.38 35.05 2khs s VAL 51 CO -0.05 -0.76 0.58 -0.62 0.00 0.00 0.00 175.10 174.26 2khs n GLU 52 N 4.93 0.64 -0.11 2.72 1.02 -1.26 -2.75 120.64 125.83 2khs n GLU 52 Ca -0.02 0.23 -0.12 0.00 -0.02 0.00 0.00 57.16 57.23 2khs n GLU 52 Cb 0.41 -1.75 -0.03 0.00 -0.02 0.00 0.00 31.44 30.05 2khs n GLU 52 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 2khs h LYS 53 N 0.00 0.76 0.00 3.49 1.79 -2.00 -3.37 116.57 117.24 2khs h LYS 53 Ca -0.31 -0.36 0.00 0.00 -2.18 0.00 0.00 60.65 57.79 2khs h LYS 53 Cb 2.00 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.64 2khs h LYS 53 CO 0.07 0.98 0.00 0.66 -1.08 0.00 0.00 179.45 180.08 2khs n TYR 54 N -4.26 0.00 0.25 -1.35 4.01 -1.26 -4.84 117.16 109.71 2khs n TYR 54 Ca -0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.60 2khs n TYR 54 Cb 0.44 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.42 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 0.00 -0.72 2.00 2.72 0.00 -1.67 -2.37 103.07 103.03 2khs h GLY 55 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 47.33 47.58 2khs h GLY 55 CO 0.00 -0.26 -0.09 -0.56 0.00 0.00 0.00 176.54 175.63 2khs h PRO 56 N -1.14 0.00 0.02 4.80 0.13 -1.77 -1.08 132.00 132.96 2khs h PRO 56 Ca -0.07 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2khs h PRO 56 Cb 0.57 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.70 2khs h PRO 56 CO 0.12 0.09 -0.01 0.93 -0.23 0.00 0.00 178.00 178.90 2khs h GLU 57 N 0.00 -0.03 -0.56 0.86 4.39 -1.87 -1.53 114.58 115.85 2khs h GLU 57 Ca -0.00 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 2khs h GLU 57 Cb 0.24 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2khs h GLU 57 CO 0.01 0.47 0.22 0.00 -1.16 0.00 0.00 179.01 178.55 2khs h ALA 58 N 0.41 0.72 -0.04 3.43 0.00 -0.95 -0.62 119.26 122.21 2khs h ALA 58 Ca -0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2khs h ALA 58 Cb 0.51 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2khs h ALA 58 CO 0.01 0.34 0.01 0.66 0.00 0.00 0.00 179.25 180.26 2khs h SER 59 N 0.76 0.06 -0.65 0.00 4.64 -1.26 -1.52 113.55 115.58 2khs h SER 59 Ca 0.18 -0.25 -0.06 0.00 -0.47 0.00 0.00 61.79 61.19 2khs h SER 59 Cb 0.21 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.25 2khs h SER 59 CO -0.01 0.29 0.17 0.00 -0.87 0.00 0.00 176.83 176.41 2khs h ALA 60 N 0.77 1.03 0.26 5.18 0.00 -1.19 0.10 119.26 125.42 2khs h ALA 60 Ca 0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 2khs h ALA 60 Cb 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2khs h ALA 60 CO 0.00 0.64 -0.14 0.35 0.00 0.00 0.00 179.25 180.10 2khs h PHE 61 N 1.01 -0.35 -0.26 0.00 3.04 -1.02 0.15 116.94 119.50 2khs h PHE 61 Ca 0.21 -0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.15 2khs h PHE 61 Cb 0.35 0.12 -0.01 0.00 2.56 0.00 0.00 35.95 38.97 2khs h PHE 61 CO 0.03 -0.22 0.14 1.15 -2.02 0.00 0.00 178.31 177.39 2khs h THR 62 N -0.37 1.12 -0.26 4.41 2.02 -1.06 -2.24 112.91 116.53 2khs h THR 62 Ca -0.03 -0.33 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2khs h THR 62 Cb 0.29 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 2khs h THR 62 CO 0.05 0.12 0.11 0.11 0.37 0.00 0.00 175.52 176.28 2khs h LYS 63 N 0.30 0.24 -0.95 6.66 1.57 -0.59 -0.75 116.57 123.04 2khs h LYS 63 Ca 0.09 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2khs h LYS 63 Cb 0.07 -0.05 -0.05 0.00 0.08 0.00 0.00 32.23 32.28 2khs h LYS 63 CO -0.01 0.16 0.59 0.87 -0.57 0.00 0.00 179.45 180.48 2khs h LYS 64 N 0.25 1.29 -0.13 3.15 1.57 -0.59 0.14 116.57 122.24 2khs h LYS 64 Ca 0.11 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.76 2khs h LYS 64 Cb 0.06 -0.27 -0.00 0.00 0.08 0.00 0.00 32.23 32.09 2khs h LYS 64 CO -0.09 0.89 -0.01 0.52 -0.57 0.00 0.00 179.45 180.18 2khs h MET 65 N 1.31 0.24 0.00 3.15 2.86 -0.87 -0.38 114.93 121.25 2khs h MET 65 Ca 0.34 -0.09 -0.16 0.00 -2.06 0.00 0.00 59.70 57.74 2khs h MET 65 Cb -0.08 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.54 2khs h MET 65 CO -0.07 0.51 -0.75 -0.39 1.06 0.00 0.00 176.91 177.27 2khs h VAL 66 N -0.04 1.53 0.00 -2.22 -1.51 -0.88 -2.07 116.25 111.06 2khs h VAL 66 Ca 0.04 -2.57 -0.24 0.00 -1.23 0.00 0.00 66.70 62.69 2khs h VAL 66 Cb 0.41 2.39 -0.04 0.00 -2.13 0.00 0.00 31.29 31.92 2khs h VAL 66 CO 0.01 0.73 -1.35 -0.33 -1.23 0.00 0.00 177.57 175.40 2khs h GLU 67 N 0.00 0.00 0.00 5.19 5.08 -0.74 -3.27 114.58 120.85 2khs h GLU 67 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2khs h GLU 67 Cb 1.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.58 2khs h GLU 67 CO 0.10 0.68 -0.29 -1.71 -1.00 0.00 0.00 179.01 176.79 2khs n ASN 68 N -3.17 0.43 -4.68 1.42 2.85 -0.15 -4.88 115.26 107.08 2khs n ASN 68 Ca -0.09 0.19 -0.50 0.00 -0.11 0.00 0.00 54.58 54.07 2khs n ASN 68 Cb 0.98 -0.16 -0.05 0.00 1.24 0.00 0.00 39.78 41.79 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2khs n ALA 69 N -1.61 0.64 0.00 5.20 0.00 -0.78 -4.86 120.51 119.11 2khs n ALA 69 Ca 0.06 0.36 -0.18 0.00 0.00 0.00 0.00 53.44 53.67 2khs n ALA 69 Cb 0.37 -2.38 -0.09 0.00 0.00 0.00 0.00 19.45 17.35 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 7.70 0.70 -4.55 0.00 1.57 -1.89 -3.43 116.57 116.67 2khs h LYS 70 Ca -0.47 -0.65 -0.57 0.00 -1.87 0.00 0.00 60.65 57.09 2khs h LYS 70 Cb 1.28 0.16 -0.36 0.00 0.08 0.00 0.00 32.23 33.39 2khs h LYS 70 CO 0.92 1.25 -0.82 0.15 -0.57 0.00 0.00 179.45 180.38 2khs s LYS 71 N -3.54 2.00 -0.38 3.15 1.02 -1.26 -4.97 119.74 115.75 2khs s LYS 71 Ca -0.11 -0.46 -0.16 0.00 0.02 0.00 0.00 55.97 55.27 2khs s LYS 71 Cb 0.07 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.56 2khs s LYS 71 CO 0.90 -0.17 0.38 0.42 -0.92 0.00 0.00 175.35 175.96 2khs s ILE 72 N 1.32 5.15 -0.10 2.17 1.01 -1.26 0.28 121.20 129.77 2khs s ILE 72 Ca -0.00 -0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.44 2khs s ILE 72 Cb -0.14 -3.92 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2khs s ILE 72 CO -0.06 -0.25 -0.12 -1.61 0.00 0.00 0.00 174.94 172.90 2khs s GLU 73 N 2.01 3.11 -0.17 2.79 2.02 -0.32 -0.28 118.70 127.87 2khs s GLU 73 Ca 0.11 -0.65 -0.03 0.00 0.02 0.00 0.00 54.97 54.42 2khs s GLU 73 Cb -0.17 -2.59 -0.02 0.00 0.10 0.00 0.00 34.13 31.45 2khs s GLU 73 CO 0.12 0.38 -0.06 0.14 0.02 0.00 0.00 175.26 175.86 2khs s VAL 74 N -0.07 3.57 -0.13 2.63 -7.23 0.73 -0.60 120.40 119.28 2khs s VAL 74 Ca -0.02 -0.46 0.00 0.00 -1.81 0.00 0.00 61.98 59.70 2khs s VAL 74 Cb -0.14 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2khs s VAL 74 CO 0.03 0.48 -0.15 -0.70 -0.31 0.00 0.00 175.10 174.45 2khs s GLU 75 N 0.69 3.30 -0.16 4.82 2.12 -0.37 -1.05 118.70 128.06 2khs s GLU 75 Ca -0.03 -0.72 -0.12 0.00 0.36 0.00 0.00 54.97 54.46 2khs s GLU 75 Cb -0.15 -2.59 -0.05 0.00 0.26 0.00 0.00 34.13 31.60 2khs s GLU 75 CO 0.02 0.16 0.24 0.12 -0.54 0.00 0.00 175.26 175.26 2khs s PHE 76 N 0.47 3.48 0.44 5.30 5.36 -0.61 -1.31 117.98 131.11 2khs s PHE 76 Ca -0.11 0.55 -0.05 0.00 -0.96 0.00 0.00 56.93 56.36 2khs s PHE 76 Cb -0.16 -2.25 0.10 0.00 -0.34 0.00 0.00 43.02 40.37 2khs s PHE 76 CO 0.05 0.34 0.60 -3.47 -1.46 0.00 0.00 175.22 171.27 2khs n ASP 77 N 3.26 0.34 0.12 6.13 -0.08 -1.26 -3.62 116.55 121.44 2khs n ASP 77 Ca -0.14 -1.40 0.13 0.00 -1.51 0.00 0.00 54.79 51.87 2khs n ASP 77 Cb 0.52 -0.43 0.44 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 -2.21 0.25 0.00 -0.67 4.76 -1.26 -4.77 118.16 114.26 2khs n LYS 78 Ca 0.08 0.31 0.00 0.00 -2.87 0.00 0.00 58.31 55.84 2khs n LYS 78 Cb 0.30 -1.85 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2khs n GLY 79 N 0.76 0.42 3.86 0.72 0.00 -1.26 -5.05 105.19 104.63 2khs n GLY 79 Ca 0.04 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.69 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 2.38 3.70 -0.00 1.61 1.11 -1.26 -4.97 119.66 122.23 2khs s GLN 80 Ca 0.00 0.15 0.21 0.00 0.01 0.00 0.00 55.36 55.73 2khs s GLN 80 Cb 0.00 -3.17 -0.23 0.00 -1.01 0.00 0.00 33.01 28.60 2khs s GLN 80 CO 0.00 0.70 0.56 -2.13 0.01 0.00 0.00 175.29 174.43 2khs n ARG 81 N 1.67 0.65 -3.87 2.91 0.63 -1.26 -4.72 116.66 112.66 2khs n ARG 81 Ca -0.15 -0.05 -0.11 0.00 -0.92 0.00 0.00 57.85 56.62 2khs n ARG 81 Cb 0.53 -1.62 -0.12 0.00 0.45 0.00 0.00 32.46 31.70 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 -3.24 0.03 0.14 5.15 -4.23 -1.26 0.45 115.64 112.68 2khs s THR 82 Ca -0.06 -0.28 -0.08 0.00 -1.18 0.00 0.00 61.69 60.09 2khs s THR 82 Cb 0.11 -0.20 -0.06 0.00 1.34 0.00 0.00 72.50 73.70 2khs s THR 82 CO 0.86 -0.15 0.42 -0.62 -0.54 0.00 0.00 174.62 174.59 2khs s ASP 83 N -0.46 6.58 0.45 3.99 2.15 0.13 -4.88 116.67 124.63 2khs s ASP 83 Ca -0.05 0.74 0.29 0.00 0.43 0.00 0.00 52.55 53.95 2khs s ASP 83 Cb -0.03 -2.15 1.56 0.00 -0.30 0.00 0.00 42.92 41.99 2khs s ASP 83 CO 0.00 0.07 1.87 0.07 -0.17 0.00 0.00 175.17 177.01 2khs h LYS 84 N 3.08 0.00 0.00 4.34 2.10 -2.01 0.11 116.57 124.19 2khs h LYS 84 Ca -0.47 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2khs h LYS 84 Cb 1.18 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.51 2khs h LYS 84 CO 0.70 0.00 -0.00 -0.92 -2.00 0.00 0.00 179.45 177.22 2khs h TYR 85 N 0.00 0.00 0.00 0.07 3.20 -2.05 -3.45 116.97 114.74 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 0.10 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.37 2khs h TYR 85 CO 0.00 0.00 0.00 0.41 -1.64 0.00 0.00 178.16 176.93 2khs n GLY 86 N -0.11 1.56 3.43 1.82 0.00 0.38 -5.09 105.19 107.17 2khs n GLY 86 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2khs n GLY 86 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2khs s ARG 87 N -0.40 3.55 0.29 1.61 6.06 -1.13 -4.47 118.95 124.44 2khs s ARG 87 Ca 0.00 -0.57 -0.29 0.00 -2.50 0.00 0.00 55.73 52.37 2khs s ARG 87 Cb 0.00 -2.91 -0.09 0.00 0.06 0.00 0.00 34.95 32.01 2khs s ARG 87 CO 0.00 0.10 1.03 0.20 -2.50 0.00 0.00 175.30 174.14 2khs s GLY 88 N 0.71 3.02 -0.32 8.12 0.00 0.15 0.18 107.32 119.19 2khs s GLY 88 Ca -0.02 0.76 0.03 0.00 0.00 0.00 0.00 44.72 45.48 2khs s GLY 88 CO 0.02 1.31 0.03 1.08 0.00 0.00 0.00 173.10 175.55 2khs s LEU 89 N -1.58 3.91 0.22 0.66 1.43 0.17 -0.36 118.68 123.14 2khs s LEU 89 Ca 0.46 -1.88 -0.14 0.00 -1.03 0.00 0.00 54.13 51.53 2khs s LEU 89 Cb -0.28 -1.42 0.01 0.00 0.03 0.00 0.00 46.19 44.53 2khs s LEU 89 CO 0.35 -0.35 0.49 0.00 0.23 0.00 0.00 176.35 177.06 2khs s ALA 90 N 1.11 -0.51 0.13 4.21 0.00 -1.17 -4.30 121.76 121.24 2khs s ALA 90 Ca 0.07 -0.63 -0.19 0.00 0.00 0.00 0.00 51.96 51.21 2khs s ALA 90 Cb -0.19 0.95 -0.07 0.00 0.00 0.00 0.00 23.12 23.82 2khs s ALA 90 CO -0.11 -0.83 0.62 0.71 0.00 0.00 0.00 175.76 176.15 2khs s TYR 91 N -3.96 3.74 -0.19 0.00 2.02 -0.43 -1.41 117.35 117.12 2khs s TYR 91 Ca 0.17 1.29 -0.03 0.00 -0.37 0.00 0.00 57.07 58.12 2khs s TYR 91 Cb -0.01 -2.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.02 2khs s TYR 91 CO 0.04 0.50 -0.05 0.42 -1.57 0.00 0.00 175.55 174.88 2khs s ILE 92 N -1.27 3.44 -0.03 2.71 -1.09 -1.26 -1.24 121.20 122.45 2khs s ILE 92 Ca 0.34 -0.49 0.07 0.00 -2.23 0.00 0.00 60.65 58.34 2khs s ILE 92 Cb -0.18 -2.54 -0.02 0.00 -1.58 0.00 0.00 42.46 38.14 2khs s ILE 92 CO 0.20 0.45 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.82 2khs s TYR 93 N 1.10 2.42 -0.51 3.97 1.51 0.23 -1.47 117.35 124.59 2khs s TYR 93 Ca 0.01 -0.45 -0.10 0.00 -1.01 0.00 0.00 57.07 55.52 2khs s TYR 93 Cb -0.15 -1.55 0.13 0.00 -0.11 0.00 0.00 41.96 40.29 2khs s TYR 93 CO -0.00 -0.04 0.40 0.00 -1.11 0.00 0.00 175.55 174.80 2khs s ALA 94 N -0.54 3.49 -1.71 3.71 0.00 0.11 -1.17 121.76 125.65 2khs s ALA 94 Ca 0.07 -2.63 -0.15 0.00 0.00 0.00 0.00 51.96 49.26 2khs s ALA 94 Cb -0.11 -2.93 0.14 0.00 0.00 0.00 0.00 23.12 20.22 2khs s ALA 94 CO 0.00 -1.96 0.51 -0.40 0.00 0.00 0.00 175.76 173.91 2khs n ASP 95 N 4.82 -1.49 0.00 0.00 5.75 0.14 -0.48 116.55 125.30 2khs n ASP 95 Ca -0.07 -1.16 0.00 0.00 -0.01 0.00 0.00 54.79 53.56 2khs n ASP 95 Cb 0.41 -2.10 0.00 0.00 -1.03 0.00 0.00 41.12 38.40 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 -1.59 2.96 3.60 6.12 0.00 -1.26 -4.95 105.19 110.06 2khs n GLY 96 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2khs n GLY 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2khs s LYS 97 N -0.69 3.80 -0.53 1.61 1.02 0.37 -4.97 119.74 120.36 2khs s LYS 97 Ca 0.00 0.58 -0.28 0.00 0.02 0.00 0.00 55.97 56.29 2khs s LYS 97 Cb 0.00 -3.83 0.02 0.00 -0.52 0.00 0.00 37.83 33.50 2khs s LYS 97 CO 0.00 -1.07 1.32 1.41 -0.92 0.00 0.00 175.35 176.10 2khs s MET 98 N 3.73 3.46 0.18 1.68 -2.45 -1.26 0.03 119.30 124.67 2khs s MET 98 Ca 0.41 0.50 -0.13 0.00 -1.25 0.00 0.00 55.69 55.22 2khs s MET 98 Cb -0.11 -4.05 0.10 0.00 1.25 0.00 0.00 34.83 32.02 2khs s MET 98 CO 0.22 -1.74 1.84 0.28 1.05 0.00 0.00 175.02 176.67 2khs h VAL 99 N 6.32 1.13 -0.00 10.11 2.07 -1.63 -2.09 116.25 132.16 2khs h VAL 99 Ca -0.26 -0.26 -0.06 0.00 0.82 0.00 0.00 66.70 66.94 2khs h VAL 99 Cb 1.08 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2khs h VAL 99 CO 1.16 0.14 -0.28 -0.55 0.02 0.00 0.00 177.57 178.06 2khs h ASN 100 N 0.77 0.01 0.35 0.57 -1.07 -1.90 0.81 115.58 115.11 2khs h ASN 100 Ca 0.22 -0.00 -0.02 0.00 0.07 0.00 0.00 56.30 56.57 2khs h ASN 100 Cb -0.07 -0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.18 2khs h ASN 100 CO -0.06 0.29 -0.17 -0.08 0.07 0.00 0.00 177.43 177.48 2khs h GLU 101 N 0.01 -0.45 -0.53 4.14 4.57 -1.76 -2.60 114.58 117.96 2khs h GLU 101 Ca -0.00 0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.21 2khs h GLU 101 Cb 0.50 0.10 -0.03 0.00 -0.16 0.00 0.00 28.75 29.16 2khs h GLU 101 CO 0.04 -0.23 0.32 0.00 -1.18 0.00 0.00 179.01 177.96 2khs h ALA 102 N 0.04 0.67 -0.02 2.92 0.00 -0.84 0.64 119.26 122.67 2khs h ALA 102 Ca -0.05 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2khs h ALA 102 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 2khs h ALA 102 CO 0.08 0.15 -0.12 -0.07 0.00 0.00 0.00 179.25 179.29 2khs h LEU 103 N 0.71 -0.36 -0.27 0.00 3.38 -0.85 0.49 115.31 118.41 2khs h LEU 103 Ca 0.19 0.06 -0.20 0.00 0.09 0.00 0.00 57.88 58.01 2khs h LEU 103 Cb -0.02 0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2khs h LEU 103 CO -0.04 -0.17 -0.73 0.58 0.09 0.00 0.00 178.44 178.17 2khs h VAL 104 N -0.19 1.31 0.00 1.22 2.07 -1.32 0.13 116.25 119.46 2khs h VAL 104 Ca 0.05 -2.00 -0.06 0.00 0.82 0.00 0.00 66.70 65.51 2khs h VAL 104 Cb 0.26 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 2khs h VAL 104 CO -0.14 0.62 -0.28 -0.09 0.02 0.00 0.00 177.57 177.70 2khs h ARG 105 N 0.45 0.00 -0.02 1.57 9.65 -0.63 -1.52 114.38 123.88 2khs h ARG 105 Ca -0.04 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 2khs h ARG 105 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2khs h ARG 105 CO 0.14 0.28 -0.14 0.94 2.80 0.00 0.00 179.97 183.99 2khs n GLN 106 N -3.62 1.67 -2.85 0.20 -0.06 0.14 -4.96 117.38 107.90 2khs n GLN 106 Ca -0.01 -1.23 -0.08 0.00 -2.00 0.00 0.00 57.00 53.68 2khs n GLN 106 Cb 0.41 -1.47 0.03 0.00 -4.06 0.00 0.00 30.24 25.14 2khs n GLN 106 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2khs n GLY 107 N 1.32 0.44 0.00 1.69 0.00 -0.57 -4.94 105.19 103.12 2khs n GLY 107 Ca 0.14 -0.37 0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.00 0.78 -3.92 0.99 4.77 0.41 -5.00 117.00 113.03 2khs n LEU 108 Ca 0.00 -0.50 -0.09 0.00 -0.03 0.00 0.00 56.01 55.40 2khs n LEU 108 Cb 0.52 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2khs n LEU 108 CO 0.22 0.20 0.21 0.00 -1.33 0.00 0.00 177.39 176.68 2khs s ALA 109 N -2.58 -0.49 0.39 -1.18 0.00 -1.18 -4.79 121.76 111.92 2khs s ALA 109 Ca 0.06 -0.66 0.07 0.00 0.00 0.00 0.00 51.96 51.43 2khs s ALA 109 Cb 0.13 0.97 0.00 0.00 0.00 0.00 0.00 23.12 24.22 2khs s ALA 109 CO 0.69 -0.84 0.53 0.15 0.00 0.00 0.00 175.76 176.29 2khs s LYS 110 N -3.97 2.94 -0.02 0.00 3.01 0.12 -4.50 119.74 117.32 2khs s LYS 110 Ca 0.17 -1.14 -0.15 0.00 -1.01 0.00 0.00 55.97 53.84 2khs s LYS 110 Cb -0.01 -2.78 -0.05 0.00 -1.01 0.00 0.00 37.83 33.98 2khs s LYS 110 CO 0.05 -0.14 0.42 0.54 0.51 0.00 0.00 175.35 176.72 2khs s VAL 111 N -2.29 5.05 -0.21 3.17 0.11 -1.26 -0.00 120.40 124.97 2khs s VAL 111 Ca 0.51 0.86 -0.21 0.00 -2.93 0.00 0.00 61.98 60.21 2khs s VAL 111 Cb -0.10 -3.73 -0.02 0.00 -1.53 0.00 0.00 36.38 31.00 2khs s VAL 111 CO 0.32 0.53 0.65 0.00 -3.33 0.00 0.00 175.10 173.27 2khs s ALA 112 N -0.77 3.56 0.42 1.54 0.00 0.69 -4.60 121.76 122.61 2khs s ALA 112 Ca 0.24 -0.29 -0.24 0.00 0.00 0.00 0.00 51.96 51.66 2khs s ALA 112 Cb -0.16 -3.01 -0.08 0.00 0.00 0.00 0.00 23.12 19.86 2khs s ALA 112 CO 0.13 -0.64 1.17 0.71 0.00 0.00 0.00 175.76 177.13 2khs s TYR 113 N 2.10 2.99 0.06 0.00 2.02 -1.26 -4.56 117.35 118.71 2khs s TYR 113 Ca 0.29 1.55 -0.22 0.00 -0.37 0.00 0.00 57.07 58.31 2khs s TYR 113 Cb -0.16 -3.39 -0.06 0.00 -0.40 0.00 0.00 41.96 37.95 2khs s TYR 113 CO 0.10 -1.39 0.67 0.08 -1.57 0.00 0.00 175.55 173.44 2khs s VAL 114 N -1.47 4.71 -0.03 0.71 1.01 -1.26 -4.98 120.40 119.09 2khs s VAL 114 Ca 0.60 1.43 -0.24 0.00 0.00 0.00 0.00 61.98 63.76 2khs s VAL 114 Cb -0.30 -4.01 -0.21 0.00 0.00 0.00 0.00 36.38 31.86 2khs s VAL 114 CO 0.37 0.46 1.13 0.22 0.00 0.00 0.00 175.10 177.28 2khs h TYR 115 N 5.10 0.24 -1.98 5.22 3.20 -1.96 -3.48 116.97 123.31 2khs h TYR 115 Ca -0.46 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.30 2khs h TYR 115 Cb 1.21 -0.04 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2khs h TYR 115 CO 0.66 0.82 -0.50 1.63 -1.64 0.00 0.00 178.16 179.12 2khs n LYS 116 N -4.58 -2.28 -0.36 1.82 4.01 -1.26 -3.48 118.16 112.02 2khs n LYS 116 Ca -0.09 1.74 0.27 0.00 -0.51 0.00 0.00 58.31 59.73 2khs n LYS 116 Cb 0.43 -2.09 0.55 0.00 -0.51 0.00 0.00 35.03 33.40 2khs n LYS 116 CO 0.00 0.00 0.00 -1.00 -1.11 0.00 0.00 177.40 175.29 2khs h PRO 117 N 0.41 0.28 -0.14 1.97 0.13 -1.97 -1.34 132.00 131.33 2khs h PRO 117 Ca 0.00 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.93 2khs h PRO 117 Cb 0.31 -0.06 -0.30 0.00 0.13 0.00 0.00 31.00 31.07 2khs h PRO 117 CO 0.00 0.18 -0.91 0.27 -0.23 0.00 0.00 178.00 177.31 2khs n ASN 118 N -4.73 1.59 -0.99 1.44 6.94 -1.26 -4.98 115.26 113.27 2khs n ASN 118 Ca 0.30 -2.59 -0.12 0.00 -0.02 0.00 0.00 54.58 52.15 2khs n ASN 118 Cb 1.07 -0.39 -0.04 0.00 -2.36 0.00 0.00 39.78 38.06 2khs n ASN 118 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 2khs n ASN 119 N -0.17 -4.36 -4.55 0.53 4.13 -0.51 -4.95 115.26 105.38 2khs n ASN 119 Ca 0.12 0.25 -0.39 0.00 1.68 0.00 0.00 54.58 56.24 2khs n ASN 119 Cb 0.97 -3.02 -0.03 0.00 -1.54 0.00 0.00 39.78 36.15 2khs n ASN 119 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2khs s THR 120 N -2.47 3.60 0.00 3.41 2.01 -1.26 -4.98 115.64 115.95 2khs s THR 120 Ca 0.00 0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2khs s THR 120 Cb 0.00 -4.54 0.00 0.00 0.01 0.00 0.00 72.50 67.97 2khs s THR 120 CO 0.00 -1.48 0.00 0.00 -0.69 0.00 0.00 174.62 172.45