#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs n THR 2 N 0.00 0.00 -0.81 0.00 -1.04 -1.26 -0.69 114.28 110.48 2khs n THR 2 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2khs n THR 2 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 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 2.02 0.00 0.00 8.00 7.64 -1.26 -5.02 113.62 125.01 2khs n SER 3 Ca 0.00 -0.54 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2khs n SER 3 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 2khs n SER 3 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2khs n THR 4 N 0.00 0.00 -1.10 0.44 -1.04 0.13 -4.48 114.28 108.23 2khs n THR 4 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2khs n THR 4 Cb 0.14 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.65 2khs n THR 4 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2khs n LYS 5 N 0.00 0.00 -2.44 -2.82 4.81 -1.26 -5.09 118.16 111.36 2khs n LYS 5 Ca 0.00 0.46 -0.24 0.00 -0.87 0.00 0.00 58.31 57.66 2khs n LYS 5 Cb 0.00 -0.65 0.09 0.00 0.02 0.00 0.00 35.03 34.49 2khs n LYS 5 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2khs s LYS 6 N -1.49 1.89 0.51 1.64 -2.85 -1.26 -5.04 119.74 113.14 2khs s LYS 6 Ca 0.00 -0.76 -0.21 0.00 -1.00 0.00 0.00 55.97 53.99 2khs s LYS 6 Cb 0.00 -2.28 -0.06 0.00 -2.06 0.00 0.00 37.83 33.43 2khs s LYS 6 CO 0.00 -1.33 1.19 -0.51 0.10 0.00 0.00 175.35 174.81 2khs s LEU 7 N -5.15 3.89 -0.29 2.77 1.43 -1.26 -4.95 118.68 115.12 2khs s LEU 7 Ca 0.64 2.36 -0.19 0.00 -1.03 0.00 0.00 54.13 55.91 2khs s LEU 7 Cb -0.08 -4.36 -0.02 0.00 0.03 0.00 0.00 46.19 41.76 2khs s LEU 7 CO 0.44 -1.17 0.57 -1.00 0.23 0.00 0.00 176.35 175.42 2khs s HIS 8 N -1.56 3.24 -0.45 0.29 3.76 -1.26 -4.95 115.29 114.35 2khs s HIS 8 Ca 0.69 0.58 -0.22 0.00 -0.15 0.00 0.00 55.06 55.95 2khs s HIS 8 Cb -0.30 -2.86 0.03 0.00 1.11 0.00 0.00 32.58 30.56 2khs s HIS 8 CO 0.35 -0.39 0.74 0.15 -0.85 0.00 0.00 174.74 174.74 2khs s LYS 9 N 2.46 3.35 -0.07 1.40 1.02 -1.26 -3.60 119.74 123.04 2khs s LYS 9 Ca 0.23 -0.23 0.02 0.00 0.02 0.00 0.00 55.97 56.01 2khs s LYS 9 Cb -0.15 -3.95 -0.03 0.00 -0.52 0.00 0.00 37.83 33.18 2khs s LYS 9 CO 0.11 -1.10 -0.11 -1.83 -0.92 0.00 0.00 175.35 171.49 2khs s GLU 10 N 3.15 2.75 0.26 1.68 -1.05 -0.32 -4.85 118.70 120.31 2khs s GLU 10 Ca 0.27 -0.64 -0.30 0.00 -0.15 0.00 0.00 54.97 54.16 2khs s GLU 10 Cb -0.13 -2.50 -0.10 0.00 -0.44 0.00 0.00 34.13 30.96 2khs s GLU 10 CO 0.21 0.57 1.35 -2.14 0.95 0.00 0.00 175.26 176.19 2khs s PRO 11 N -0.57 4.34 0.18 -4.83 0.02 -1.26 -0.71 135.00 132.18 2khs s PRO 11 Ca 0.08 2.19 0.07 0.00 0.02 0.00 0.00 61.00 63.35 2khs s PRO 11 Cb -0.12 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.24 2khs s PRO 11 CO 0.02 -0.27 -0.13 0.00 -0.33 0.00 0.00 177.00 176.28 2khs s ALA 12 N -0.39 1.80 -0.16 -1.55 0.00 0.16 -4.15 121.76 117.47 2khs s ALA 12 Ca 0.55 -1.57 -0.03 0.00 0.00 0.00 0.00 51.96 50.90 2khs s ALA 12 Cb -0.39 -0.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.66 2khs s ALA 12 CO 0.45 0.02 -0.07 0.99 0.00 0.00 0.00 175.76 177.16 2khs s THR 13 N -3.00 3.57 0.07 0.00 2.01 0.92 -4.00 115.64 115.22 2khs s THR 13 Ca 0.19 -0.47 -0.31 0.00 0.31 0.00 0.00 61.69 61.42 2khs s THR 13 Cb -0.00 -2.56 -0.07 0.00 0.01 0.00 0.00 72.50 69.88 2khs s THR 13 CO 0.05 0.49 1.41 -0.22 -0.69 0.00 0.00 174.62 175.66 2khs s LEU 14 N 0.50 4.35 -0.20 4.42 2.96 -1.26 0.42 118.68 129.87 2khs s LEU 14 Ca -0.05 2.26 -0.16 0.00 -0.22 0.00 0.00 54.13 55.97 2khs s LEU 14 Cb -0.15 -3.58 -0.10 0.00 0.50 0.00 0.00 46.19 42.87 2khs s LEU 14 CO 0.03 -0.69 -0.17 -0.38 -1.32 0.00 0.00 176.35 173.82 2khs n ILE 15 N 4.23 1.49 -3.64 6.68 2.08 0.37 -4.86 119.36 125.71 2khs n ILE 15 Ca 0.12 -0.01 -0.06 0.00 0.56 0.00 0.00 62.75 63.36 2khs n ILE 15 Cb 0.43 -2.17 -0.07 0.00 -0.75 0.00 0.00 39.64 37.08 2khs n ILE 15 CO 0.00 0.00 0.00 -1.59 0.56 0.00 0.00 176.55 175.52 2khs s LYS 16 N -2.51 0.34 -0.55 0.38 -2.85 -0.67 -5.01 119.74 108.88 2khs s LYS 16 Ca -0.28 0.44 -0.24 0.00 -1.00 0.00 0.00 55.97 54.90 2khs s LYS 16 Cb 0.07 0.15 0.04 0.00 -2.06 0.00 0.00 37.83 36.03 2khs s LYS 16 CO 0.43 -0.05 0.93 0.00 0.10 0.00 0.00 175.35 176.76 2khs s ALA 17 N 0.39 3.17 -0.06 0.59 0.00 -1.26 0.15 121.76 124.74 2khs s ALA 17 Ca 0.02 -1.26 -0.26 0.00 0.00 0.00 0.00 51.96 50.45 2khs s ALA 17 Cb -0.05 -3.72 -0.23 0.00 0.00 0.00 0.00 23.12 19.13 2khs s ALA 17 CO -0.10 -2.37 1.06 0.82 0.00 0.00 0.00 175.76 175.17 2khs h ILE 18 N 6.01 1.55 -1.37 0.00 1.08 -1.82 -3.49 117.51 119.48 2khs h ILE 18 Ca -0.26 -1.73 0.00 0.00 -0.39 0.00 0.00 64.86 62.48 2khs h ILE 18 Cb 1.07 2.68 0.00 0.00 -3.07 0.00 0.00 36.82 37.50 2khs h ILE 18 CO 1.08 0.46 0.00 -0.67 -0.69 0.00 0.00 178.15 178.33 2khs n ASP 19 N -4.67 0.00 -2.41 1.72 -0.08 0.63 -4.99 116.55 106.75 2khs n ASP 19 Ca -0.09 -0.37 -0.31 0.00 -1.51 0.00 0.00 54.79 52.51 2khs n ASP 19 Cb 0.39 0.00 0.03 0.00 2.34 0.00 0.00 41.12 43.89 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2khs n GLY 20 N 0.00 5.99 1.31 0.27 0.00 -1.26 -4.31 105.19 107.19 2khs n GLY 20 Ca 0.00 -2.57 0.00 0.00 0.00 0.00 0.00 46.02 43.45 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 -0.67 -0.64 -4.48 1.61 2.03 -1.26 -4.86 116.55 108.28 2khs n ASP 21 Ca 0.50 0.18 -0.36 0.00 0.52 0.00 0.00 54.79 55.62 2khs n ASP 21 Cb 0.66 0.88 -0.12 0.00 -0.72 0.00 0.00 41.12 41.82 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2khs s THR 22 N -2.00 4.37 0.02 5.18 2.01 -1.26 -1.15 115.64 122.81 2khs s THR 22 Ca 0.00 -0.16 0.03 0.00 0.31 0.00 0.00 61.69 61.87 2khs s THR 22 Cb 0.00 -3.02 -0.02 0.00 0.01 0.00 0.00 72.50 69.47 2khs s THR 22 CO 0.00 0.37 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.52 2khs s VAL 23 N 1.33 0.70 -0.20 3.82 1.01 0.31 -0.27 120.40 127.09 2khs s VAL 23 Ca 0.05 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.21 2khs s VAL 23 Cb -0.15 -0.66 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 2khs s VAL 23 CO 0.03 -0.08 0.02 -0.75 0.00 0.00 0.00 175.10 174.33 2khs s LYS 24 N -0.93 3.70 0.09 2.72 2.20 0.12 0.68 119.74 128.32 2khs s LYS 24 Ca -0.02 -0.48 0.02 0.00 -0.36 0.00 0.00 55.97 55.13 2khs s LYS 24 Cb -0.07 -3.14 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 2khs s LYS 24 CO 0.00 0.04 -0.07 -0.51 -0.36 0.00 0.00 175.35 174.46 2khs s LEU 25 N 0.95 2.47 -0.37 5.43 1.02 -0.74 -0.48 118.68 126.95 2khs s LEU 25 Ca 0.02 -0.93 -0.06 0.00 0.02 0.00 0.00 54.13 53.18 2khs s LEU 25 Cb -0.14 -0.07 0.07 0.00 0.02 0.00 0.00 46.19 46.07 2khs s LEU 25 CO 0.02 -0.43 0.16 -0.32 0.02 0.00 0.00 176.35 175.80 2khs s MET 26 N -3.48 2.44 -0.21 1.70 1.75 0.17 -0.54 119.30 121.13 2khs s MET 26 Ca 0.08 -1.43 -0.04 0.00 -1.25 0.00 0.00 55.69 53.05 2khs s MET 26 Cb 0.03 -3.54 -0.01 0.00 2.84 0.00 0.00 34.83 34.15 2khs s MET 26 CO -0.04 -0.84 -0.05 1.52 -0.65 0.00 0.00 175.02 174.95 2khs s TYR 27 N 1.32 2.95 -1.74 4.11 1.13 0.11 -0.06 117.35 125.18 2khs s TYR 27 Ca 0.01 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2khs s TYR 27 Cb -0.21 -2.08 0.00 0.00 -1.10 0.00 0.00 41.96 38.57 2khs s TYR 27 CO 0.00 -0.49 0.00 1.63 -2.51 0.00 0.00 175.55 174.18 2khs n LYS 28 N 4.63 -1.71 -0.30 -3.49 5.02 -1.26 -0.38 118.16 120.68 2khs n LYS 28 Ca -0.18 0.98 0.00 0.00 -2.02 0.00 0.00 58.31 57.09 2khs n LYS 28 Cb 0.51 -5.57 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -0.83 0.71 3.27 0.72 0.00 -1.26 -5.04 105.19 102.76 2khs n GLY 29 Ca -0.22 0.00 -0.43 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 -0.70 2.73 -1.14 1.61 -1.52 0.49 -5.00 119.66 116.12 2khs s GLN 30 Ca 0.00 -1.65 -0.20 0.00 -1.95 0.00 0.00 55.36 51.56 2khs s GLN 30 Cb 0.00 -4.06 0.08 0.00 -0.22 0.00 0.00 33.01 28.81 2khs s GLN 30 CO 0.00 -1.18 1.53 -1.25 -0.25 0.00 0.00 175.29 174.14 2khs s PRO 31 N 1.49 3.80 0.17 2.91 0.05 -1.25 -0.71 135.00 141.45 2khs s PRO 31 Ca 0.04 -1.67 0.03 0.00 0.05 0.00 0.00 61.00 59.45 2khs s PRO 31 Cb -0.27 -5.36 -0.03 0.00 0.05 0.00 0.00 34.50 28.89 2khs s PRO 31 CO 0.02 -2.14 0.30 -1.64 0.05 0.00 0.00 177.00 173.58 2khs s MET 32 N 4.13 3.41 -0.39 4.56 -1.94 0.30 -4.88 119.30 124.49 2khs s MET 32 Ca 0.48 -0.65 -0.26 0.00 -1.71 0.00 0.00 55.69 53.54 2khs s MET 32 Cb 0.01 -2.93 0.02 0.00 2.01 0.00 0.00 34.83 33.94 2khs s MET 32 CO -0.02 0.50 0.93 0.99 -0.01 0.00 0.00 175.02 177.40 2khs s THR 33 N -1.81 4.55 0.11 2.05 2.01 -1.26 -1.80 115.64 119.49 2khs s THR 33 Ca 0.34 1.08 -0.06 0.00 0.31 0.00 0.00 61.69 63.36 2khs s THR 33 Cb -0.10 -4.36 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 2khs s THR 33 CO 0.28 -0.62 0.36 -0.36 -0.69 0.00 0.00 174.62 173.60 2khs s PHE 34 N 3.56 3.51 -0.09 4.92 0.40 0.22 -0.13 117.98 130.36 2khs s PHE 34 Ca 0.38 0.60 0.03 0.00 -0.60 0.00 0.00 56.93 57.35 2khs s PHE 34 Cb -0.11 -2.03 0.00 0.00 0.51 0.00 0.00 43.02 41.39 2khs s PHE 34 CO 0.21 0.48 -0.21 0.50 0.70 0.00 0.00 175.22 176.90 2khs s ARG 35 N -2.36 2.71 -0.15 0.44 6.06 0.32 -0.53 118.95 125.43 2khs s ARG 35 Ca 0.37 -0.76 -0.29 0.00 -2.50 0.00 0.00 55.73 52.55 2khs s ARG 35 Cb -0.13 -2.08 -0.03 0.00 0.06 0.00 0.00 34.95 32.78 2khs s ARG 35 CO 0.22 0.13 1.41 -0.51 -2.50 0.00 0.00 175.30 174.05 2khs s LEU 36 N 0.44 4.18 0.14 -0.88 1.43 -0.30 -2.88 118.68 120.81 2khs s LEU 36 Ca -0.17 1.81 -0.34 0.00 -1.03 0.00 0.00 54.13 54.40 2khs s LEU 36 Cb -0.17 -3.54 -0.13 0.00 0.03 0.00 0.00 46.19 42.38 2khs s LEU 36 CO 0.07 -0.88 1.62 0.18 0.23 0.00 0.00 176.35 177.58 2khs n LEU 37 N 7.00 3.24 -1.52 1.79 4.77 -0.74 -3.52 117.00 128.00 2khs n LEU 37 Ca 0.15 1.07 -0.11 0.00 -0.03 0.00 0.00 56.01 57.09 2khs n LEU 37 Cb 0.44 -1.44 0.01 0.00 -2.33 0.00 0.00 43.42 40.10 2khs n LEU 37 CO 0.59 -0.21 -0.05 0.18 -1.33 0.00 0.00 177.39 176.57 2khs n LEU 38 N 3.80 -1.92 -4.45 2.23 4.77 -1.26 -4.93 117.00 115.25 2khs n LEU 38 Ca 0.17 -0.10 -0.34 0.00 -0.03 0.00 0.00 56.01 55.72 2khs n LEU 38 Cb 0.30 -1.77 -0.13 0.00 -2.33 0.00 0.00 43.42 39.49 2khs n LEU 38 CO 0.64 0.04 -0.38 -0.69 -1.33 0.00 0.00 177.39 175.68 2khs s VAL 39 N -2.75 3.64 -0.40 4.08 1.01 -1.23 -0.28 120.40 124.46 2khs s VAL 39 Ca 0.10 -0.45 -0.12 0.00 0.00 0.00 0.00 61.98 61.52 2khs s VAL 39 Cb -0.05 -2.59 0.04 0.00 0.00 0.00 0.00 36.38 33.79 2khs s VAL 39 CO 0.13 0.49 0.25 -0.62 0.00 0.00 0.00 175.10 175.36 2khs s ASP 40 N 0.47 5.81 0.00 3.32 2.15 0.18 -4.77 116.67 123.84 2khs s ASP 40 Ca -0.05 -1.15 0.00 0.00 0.43 0.00 0.00 52.55 51.78 2khs s ASP 40 Cb -0.15 -2.05 0.00 0.00 -0.30 0.00 0.00 42.92 40.42 2khs s ASP 40 CO 0.03 -0.46 0.00 0.35 -0.17 0.00 0.00 175.17 174.92 2khs n THR 41 N 5.03 0.00 -1.92 1.71 -2.24 -1.26 -2.80 114.28 112.80 2khs n THR 41 Ca -0.11 0.00 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 2khs n THR 41 Cb 0.45 -0.81 -0.04 0.00 -2.10 0.00 0.00 70.33 67.82 2khs n THR 41 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 2khs s PRO 42 N -1.99 2.40 0.03 -0.78 0.02 -1.26 -4.41 135.00 129.01 2khs s PRO 42 Ca 0.00 0.40 0.05 0.00 0.02 0.00 0.00 61.00 61.48 2khs s PRO 42 Cb 0.00 -4.69 -0.02 0.00 0.02 0.00 0.00 34.50 29.81 2khs s PRO 42 CO 0.00 -3.24 -0.16 -2.00 -0.33 0.00 0.00 177.00 171.27 2khs s GLU 43 N 7.43 1.11 -0.63 5.54 2.12 -1.26 -5.07 118.70 127.94 2khs s GLU 43 Ca 0.75 -0.73 -0.10 0.00 0.36 0.00 0.00 54.97 55.25 2khs s GLU 43 Cb -0.11 -1.13 0.16 0.00 0.26 0.00 0.00 34.13 33.31 2khs s GLU 43 CO 0.13 0.29 0.52 0.95 -0.54 0.00 0.00 175.26 176.61 2khs s THR 44 N -0.69 4.69 -0.18 -1.70 -4.23 -1.26 -4.42 115.64 107.85 2khs s THR 44 Ca 0.04 -2.23 -0.16 0.00 -1.18 0.00 0.00 61.69 58.16 2khs s THR 44 Cb -0.07 -4.00 -0.12 0.00 1.34 0.00 0.00 72.50 69.65 2khs s THR 44 CO 0.01 -0.89 0.01 1.17 -0.54 0.00 0.00 174.62 174.38 2khs n LYS 45 N 4.34 0.52 0.00 3.99 4.81 -1.26 -5.05 118.16 125.50 2khs n LYS 45 Ca 0.02 0.54 0.00 0.00 -0.87 0.00 0.00 58.31 58.00 2khs n LYS 45 Cb 0.42 -1.71 0.00 0.00 0.02 0.00 0.00 35.03 33.76 2khs n LYS 45 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2khs n HIS 46 N -4.51 0.00 -2.64 5.64 -0.00 -1.26 -5.09 115.22 107.37 2khs n HIS 46 Ca -0.22 0.00 -0.42 0.00 -0.00 0.00 0.00 57.72 57.09 2khs n HIS 46 Cb 0.51 0.00 -0.03 0.00 -0.00 0.00 0.00 29.99 30.47 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 3.39 0.39 1.57 0.05 -1.26 -4.84 135.00 134.30 2khs s PRO 47 Ca 0.00 -0.85 0.19 0.00 0.05 0.00 0.00 61.00 60.39 2khs s PRO 47 Cb 0.00 -4.75 0.80 0.00 0.05 0.00 0.00 34.50 30.60 2khs s PRO 47 CO 0.00 -2.09 1.80 0.87 0.05 0.00 0.00 177.00 177.63 2khs h LYS 48 N 9.74 0.00 -0.30 4.56 1.57 -1.98 -1.22 116.57 128.94 2khs h LYS 48 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2khs h LYS 48 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.34 2khs h LYS 48 CO 1.31 0.34 0.00 1.63 -0.57 0.00 0.00 179.45 182.16 2khs n LYS 49 N -3.65 2.45 0.00 3.15 4.76 -1.26 -3.25 118.16 120.35 2khs n LYS 49 Ca -0.01 -2.17 0.14 0.00 -2.87 0.00 0.00 58.31 53.41 2khs n LYS 49 Cb 0.45 -1.50 0.52 0.00 -1.84 0.00 0.00 35.03 32.66 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 1.46 -0.38 1.91 0.72 0.00 -0.48 -4.98 105.19 103.45 2khs n GLY 50 Ca 0.18 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.81 2khs n GLY 50 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2khs n VAL 51 N -0.30 -5.36 -0.13 1.61 0.31 -1.12 -4.93 118.33 108.40 2khs n VAL 51 Ca 0.17 0.61 -0.09 0.00 -0.01 0.00 0.00 64.34 65.02 2khs n VAL 51 Cb 0.33 -4.99 -0.00 0.00 -0.91 0.00 0.00 33.84 28.26 2khs n VAL 51 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 2khs h GLU 52 N 1.01 0.55 0.00 5.55 4.39 -1.73 -3.14 114.58 121.21 2khs h GLU 52 Ca 0.00 -0.07 -0.13 0.00 0.34 0.00 0.00 59.36 59.50 2khs h GLU 52 Cb 0.01 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.54 2khs h GLU 52 CO 0.03 0.45 -0.64 0.87 -1.16 0.00 0.00 179.01 178.57 2khs h LYS 53 N 0.50 0.00 -0.35 2.33 1.79 -1.77 -3.40 116.57 115.68 2khs h LYS 53 Ca 0.14 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.46 2khs h LYS 53 Cb 0.07 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 30.66 2khs h LYS 53 CO -0.02 0.64 -0.13 0.66 -1.08 0.00 0.00 179.45 179.51 2khs n TYR 54 N -3.45 0.00 0.06 -1.35 4.02 -1.19 -4.77 117.16 110.48 2khs n TYR 54 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.75 2khs n TYR 54 Cb 0.72 -2.24 -0.08 0.00 -0.02 0.00 0.00 39.34 37.72 2khs n TYR 54 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 2khs h GLY 55 N 0.00 -0.89 0.11 2.72 0.00 -1.90 0.23 103.07 103.33 2khs h GLY 55 Ca -0.15 0.56 0.14 0.00 0.00 0.00 0.00 47.33 47.88 2khs h GLY 55 CO 0.22 -0.24 0.22 -2.55 0.00 0.00 0.00 176.54 174.18 2khs h PRO 56 N -0.61 0.34 -0.15 4.80 0.11 -1.98 0.39 132.00 134.90 2khs h PRO 56 Ca 0.04 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.12 2khs h PRO 56 Cb 0.68 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.71 2khs h PRO 56 CO -0.34 0.22 0.05 0.93 -0.21 0.00 0.00 178.00 178.66 2khs h GLU 57 N 0.35 0.23 -0.19 1.05 4.39 -1.77 -2.25 114.58 116.38 2khs h GLU 57 Ca 0.38 -0.05 -0.17 0.00 0.34 0.00 0.00 59.36 59.86 2khs h GLU 57 Cb 0.59 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2khs h GLU 57 CO -0.43 0.34 -0.55 0.00 -1.16 0.00 0.00 179.01 177.21 2khs h ALA 58 N 0.88 0.32 -0.52 3.43 0.00 -0.15 -2.96 119.26 120.26 2khs h ALA 58 Ca 0.05 -0.52 -0.03 0.00 0.00 0.00 0.00 54.91 54.41 2khs h ALA 58 Cb 0.20 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2khs h ALA 58 CO -0.00 0.54 0.21 0.66 0.00 0.00 0.00 179.25 180.65 2khs h SER 59 N 0.41 0.71 -0.85 0.00 4.64 -0.23 0.15 113.55 118.38 2khs h SER 59 Ca -0.02 -0.17 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 2khs h SER 59 Cb 1.17 -0.18 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 2khs h SER 59 CO 0.12 0.69 0.50 0.00 -0.87 0.00 0.00 176.83 177.27 2khs h ALA 60 N 1.05 1.08 0.07 5.18 0.00 -1.46 0.20 119.26 125.38 2khs h ALA 60 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2khs h ALA 60 Cb 0.20 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2khs h ALA 60 CO -0.01 0.55 -0.03 0.35 0.00 0.00 0.00 179.25 180.10 2khs h PHE 61 N 1.17 -0.09 -0.45 0.00 3.04 -1.30 -2.39 116.94 116.92 2khs h PHE 61 Ca 0.30 -0.00 0.06 0.00 3.98 0.00 0.00 57.97 62.31 2khs h PHE 61 Cb -0.03 0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.45 2khs h PHE 61 CO -0.00 0.17 0.16 1.15 -2.02 0.00 0.00 178.31 177.77 2khs h THR 62 N -0.34 0.86 0.16 4.41 2.02 -0.25 0.45 112.91 120.21 2khs h THR 62 Ca -0.01 -0.11 0.01 0.00 0.77 0.00 0.00 66.41 67.07 2khs h THR 62 Cb 0.30 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.18 2khs h THR 62 CO 0.02 0.06 -0.23 0.11 0.37 0.00 0.00 175.52 175.85 2khs h LYS 63 N 0.33 -0.43 -0.17 6.66 1.57 -0.60 -0.00 116.57 123.93 2khs h LYS 63 Ca 0.21 0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.97 2khs h LYS 63 Cb 0.21 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2khs h LYS 63 CO -0.22 -0.29 -0.11 0.87 -0.57 0.00 0.00 179.45 179.13 2khs h LYS 64 N -0.45 0.27 -0.22 3.15 1.57 -1.07 0.24 116.57 120.06 2khs h LYS 64 Ca 0.02 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.68 2khs h LYS 64 Cb 0.45 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 2khs h LYS 64 CO -0.10 0.39 -0.07 1.98 -0.57 0.00 0.00 179.45 181.09 2khs h MET 65 N 0.26 0.43 0.02 3.15 4.05 -0.33 -2.83 114.93 119.68 2khs h MET 65 Ca 0.05 -0.17 -0.30 0.00 -0.28 0.00 0.00 59.70 59.00 2khs h MET 65 Cb 0.36 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 31.10 2khs h MET 65 CO 0.02 0.68 -1.72 -0.39 0.23 0.00 0.00 176.91 175.73 2khs h VAL 66 N 0.15 0.85 0.00 -5.77 -1.51 -0.71 -3.17 116.25 106.09 2khs h VAL 66 Ca 0.05 -2.68 -0.01 0.00 -1.23 0.00 0.00 66.70 62.84 2khs h VAL 66 Cb 0.54 2.46 -0.00 0.00 -2.13 0.00 0.00 31.29 32.16 2khs h VAL 66 CO 0.02 0.58 -0.03 -0.33 -1.23 0.00 0.00 177.57 176.58 2khs h GLU 67 N 0.01 0.00 0.00 5.19 5.08 -0.63 -2.67 114.58 121.56 2khs h GLU 67 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 2khs h GLU 67 Cb 2.01 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.26 2khs h GLU 67 CO 0.09 0.03 -0.79 -1.71 -1.00 0.00 0.00 179.01 175.63 2khs n ASN 68 N -3.12 0.68 -4.80 1.42 5.15 -1.07 -4.94 115.26 108.58 2khs n ASN 68 Ca 0.02 0.03 -0.34 0.00 -0.60 0.00 0.00 54.58 53.70 2khs n ASN 68 Cb 0.45 0.39 -0.05 0.00 -0.53 0.00 0.00 39.78 40.04 2khs n ASN 68 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2khs s ALA 69 N -3.19 2.99 -0.03 5.20 0.00 -1.01 -5.00 121.76 120.71 2khs s ALA 69 Ca 0.05 0.52 -0.03 0.00 0.00 0.00 0.00 51.96 52.50 2khs s ALA 69 Cb 0.13 -3.20 -0.02 0.00 0.00 0.00 0.00 23.12 20.03 2khs s ALA 69 CO 0.75 -0.07 0.21 0.87 0.00 0.00 0.00 175.76 177.52 2khs h LYS 70 N 1.93 -0.10 -5.74 0.00 1.57 -1.90 -3.46 116.57 108.88 2khs h LYS 70 Ca -0.49 0.01 -0.66 0.00 -1.87 0.00 0.00 60.65 57.63 2khs h LYS 70 Cb 1.20 0.02 -0.20 0.00 0.08 0.00 0.00 32.23 33.33 2khs h LYS 70 CO 0.61 -0.06 -0.68 0.15 -0.57 0.00 0.00 179.45 178.90 2khs s LYS 71 N -1.75 3.19 -0.26 3.15 1.02 -1.26 -4.97 119.74 118.86 2khs s LYS 71 Ca -0.01 -0.52 -0.08 0.00 0.02 0.00 0.00 55.97 55.37 2khs s LYS 71 Cb 0.00 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.52 2khs s LYS 71 CO 0.04 0.48 0.10 0.42 -0.92 0.00 0.00 175.35 175.47 2khs s ILE 72 N -0.29 4.54 -0.08 2.17 1.01 -1.26 0.42 121.20 127.71 2khs s ILE 72 Ca 0.05 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 60.61 2khs s ILE 72 Cb -0.13 -3.14 -0.02 0.00 0.01 0.00 0.00 42.46 39.18 2khs s ILE 72 CO 0.02 0.31 -0.12 -1.61 0.00 0.00 0.00 174.94 173.55 2khs s GLU 73 N 1.65 2.86 -0.18 2.79 2.02 0.56 0.36 118.70 128.75 2khs s GLU 73 Ca 0.06 -0.66 -0.04 0.00 0.02 0.00 0.00 54.97 54.36 2khs s GLU 73 Cb -0.15 -2.51 -0.02 0.00 0.10 0.00 0.00 34.13 31.55 2khs s GLU 73 CO 0.05 0.49 -0.04 0.14 0.02 0.00 0.00 175.26 175.92 2khs s VAL 74 N -0.37 3.65 -0.24 2.63 -7.23 0.12 0.07 120.40 119.02 2khs s VAL 74 Ca 0.04 -0.43 -0.01 0.00 -1.81 0.00 0.00 61.98 59.77 2khs s VAL 74 Cb -0.12 -2.62 0.03 0.00 0.56 0.00 0.00 36.38 34.22 2khs s VAL 74 CO 0.02 0.46 -0.07 -0.70 -0.31 0.00 0.00 175.10 174.50 2khs s GLU 75 N 0.80 2.84 0.19 4.82 2.12 0.47 -1.17 118.70 128.76 2khs s GLU 75 Ca -0.01 -0.97 -0.09 0.00 0.36 0.00 0.00 54.97 54.26 2khs s GLU 75 Cb -0.15 -2.95 -0.07 0.00 0.26 0.00 0.00 34.13 31.23 2khs s GLU 75 CO 0.02 -0.38 0.49 -0.59 -0.54 0.00 0.00 175.26 174.26 2khs s PHE 76 N 1.32 3.47 0.80 5.30 -0.71 -1.24 0.16 117.98 127.08 2khs s PHE 76 Ca 0.00 0.81 -0.09 0.00 -1.04 0.00 0.00 56.93 56.61 2khs s PHE 76 Cb -0.16 -2.20 0.18 0.00 -1.21 0.00 0.00 43.02 39.62 2khs s PHE 76 CO -0.05 0.35 1.09 -3.47 -1.34 0.00 0.00 175.22 171.80 2khs n ASP 77 N 0.12 0.51 0.00 1.98 -0.08 -1.26 -4.31 116.55 113.51 2khs n ASP 77 Ca -0.02 -1.65 0.10 0.00 -1.51 0.00 0.00 54.79 51.71 2khs n ASP 77 Cb 0.52 -0.79 0.49 0.00 2.34 0.00 0.00 41.12 43.68 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 -3.21 0.14 0.00 -0.67 -0.00 -1.26 -4.35 118.16 108.81 2khs n LYS 78 Ca 0.15 0.12 0.00 0.00 -0.00 0.00 0.00 58.31 58.58 2khs n LYS 78 Cb 0.52 -1.50 0.00 0.00 -0.00 0.00 0.00 35.03 34.05 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 0.60 0.59 3.69 2.58 0.00 -1.26 -4.70 105.19 106.68 2khs n GLY 79 Ca 0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.73 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 0.58 4.14 0.03 1.61 1.11 -1.26 -4.91 119.66 120.96 2khs s GLN 80 Ca 0.00 -0.14 0.14 0.00 0.01 0.00 0.00 55.36 55.37 2khs s GLN 80 Cb 0.00 -3.49 -0.17 0.00 -1.01 0.00 0.00 33.01 28.33 2khs s GLN 80 CO 0.00 0.14 0.80 -0.09 0.01 0.00 0.00 175.29 176.15 2khs h ARG 81 N 7.15 0.00 -6.72 2.91 2.43 -1.81 -3.39 114.38 114.95 2khs h ARG 81 Ca -0.39 0.00 -0.67 0.00 -0.81 0.00 0.00 59.98 58.11 2khs h ARG 81 Cb 1.16 0.00 -0.23 0.00 -0.42 0.00 0.00 29.97 30.48 2khs h ARG 81 CO 0.71 0.43 -0.87 0.95 -1.51 0.00 0.00 179.97 179.68 2khs s THR 82 N -2.77 2.12 0.39 0.20 -4.23 -1.26 -0.86 115.64 109.23 2khs s THR 82 Ca -0.03 -1.59 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 2khs s THR 82 Cb 0.08 -1.86 -0.08 0.00 1.34 0.00 0.00 72.50 71.98 2khs s THR 82 CO 0.82 0.16 0.81 -0.62 -0.54 0.00 0.00 174.62 175.24 2khs s ASP 83 N -1.75 6.70 0.63 3.99 -1.08 0.49 -4.74 116.67 120.91 2khs s ASP 83 Ca 0.12 1.33 0.41 0.00 -0.52 0.00 0.00 52.55 53.89 2khs s ASP 83 Cb -0.10 -2.40 2.15 0.00 -1.46 0.00 0.00 42.92 41.11 2khs s ASP 83 CO 0.04 -0.33 2.28 0.07 0.52 0.00 0.00 175.17 177.75 2khs h LYS 84 N 1.74 0.00 -0.00 4.34 2.10 -2.00 0.12 116.57 122.87 2khs h LYS 84 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 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 0.64 0.01 -0.06 0.66 -2.00 0.00 0.00 179.45 178.69 2khs n TYR 85 N -3.14 0.00 -0.87 0.07 4.01 -1.26 -4.89 117.16 111.08 2khs n TYR 85 Ca -0.02 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.72 2khs n TYR 85 Cb 0.13 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.01 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 1.18 4.02 2.72 0.00 0.42 -5.08 105.19 109.66 2khs n GLY 86 Ca 0.16 -0.43 -0.20 0.00 0.00 0.00 0.00 46.02 45.56 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 -2.21 2.39 -0.19 1.61 0.52 -1.22 -4.66 118.95 115.20 2khs s ARG 87 Ca 0.00 -1.60 -0.07 0.00 -0.52 0.00 0.00 55.73 53.54 2khs s ARG 87 Cb 0.00 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.81 2khs s ARG 87 CO 0.00 -0.73 0.06 0.20 0.02 0.00 0.00 175.30 174.85 2khs s GLY 88 N -4.57 1.88 -0.35 -3.53 0.00 0.81 -0.38 107.32 101.17 2khs s GLY 88 Ca 0.58 -0.79 -0.06 0.00 0.00 0.00 0.00 44.72 44.46 2khs s GLY 88 CO 0.36 0.10 0.12 1.08 0.00 0.00 0.00 173.10 174.76 2khs s LEU 89 N 0.49 4.48 0.23 0.66 1.43 -0.04 -0.53 118.68 125.40 2khs s LEU 89 Ca 0.03 -1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 51.67 2khs s LEU 89 Cb -0.13 -1.87 0.02 0.00 0.03 0.00 0.00 46.19 44.25 2khs s LEU 89 CO 0.01 -0.37 0.57 0.00 0.23 0.00 0.00 176.35 176.79 2khs s ALA 90 N 1.37 -0.87 -0.20 4.21 0.00 -1.14 -4.49 121.76 120.64 2khs s ALA 90 Ca -0.01 -0.38 -0.13 0.00 0.00 0.00 0.00 51.96 51.44 2khs s ALA 90 Cb -0.20 0.91 -0.05 0.00 0.00 0.00 0.00 23.12 23.78 2khs s ALA 90 CO 0.02 -0.88 0.28 0.71 0.00 0.00 0.00 175.76 175.88 2khs s TYR 91 N -3.92 3.40 -0.21 0.00 1.51 0.12 -1.80 117.35 116.45 2khs s TYR 91 Ca 0.13 0.49 -0.12 0.00 -1.01 0.00 0.00 57.07 56.56 2khs s TYR 91 Cb -0.02 -2.36 -0.05 0.00 -0.11 0.00 0.00 41.96 39.42 2khs s TYR 91 CO 0.03 0.13 0.21 0.42 -1.11 0.00 0.00 175.55 175.23 2khs s ILE 92 N 0.84 5.34 -0.19 2.71 1.01 -1.26 -0.40 121.20 129.25 2khs s ILE 92 Ca 0.14 0.32 -0.06 0.00 0.00 0.00 0.00 60.65 61.05 2khs s ILE 92 Cb -0.13 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.75 2khs s ILE 92 CO 0.05 0.36 0.04 -0.31 0.00 0.00 0.00 174.94 175.07 2khs s TYR 93 N 0.87 3.14 -0.50 3.97 1.51 0.11 0.07 117.35 126.52 2khs s TYR 93 Ca 0.11 -0.16 -0.12 0.00 -1.01 0.00 0.00 57.07 55.89 2khs s TYR 93 Cb -0.13 -2.09 0.12 0.00 -0.11 0.00 0.00 41.96 39.75 2khs s TYR 93 CO 0.03 -0.04 0.40 0.00 -1.11 0.00 0.00 175.55 174.84 2khs s ALA 94 N 0.72 3.49 -1.24 3.71 0.00 0.23 -0.33 121.76 128.34 2khs s ALA 94 Ca 0.02 -2.55 -0.22 0.00 0.00 0.00 0.00 51.96 49.22 2khs s ALA 94 Cb -0.14 -2.99 0.01 0.00 0.00 0.00 0.00 23.12 20.01 2khs s ALA 94 CO 0.02 -1.95 0.64 -3.47 0.00 0.00 0.00 175.76 171.00 2khs n ASP 95 N 5.02 -3.66 0.00 0.00 2.03 0.17 -1.33 116.55 118.78 2khs n ASP 95 Ca -0.10 -1.14 0.00 0.00 0.52 0.00 0.00 54.79 54.07 2khs n ASP 95 Cb 0.40 -2.56 0.00 0.00 -0.72 0.00 0.00 41.12 38.25 2khs n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khs n GLY 96 N -1.95 2.89 3.62 0.27 0.00 -1.26 -4.97 105.19 103.78 2khs n GLY 96 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.15 3.92 -0.43 1.61 1.02 -0.44 -4.96 119.74 120.31 2khs s LYS 97 Ca 0.00 0.80 -0.28 0.00 0.02 0.00 0.00 55.97 56.51 2khs s LYS 97 Cb 0.00 -3.79 0.01 0.00 -0.52 0.00 0.00 37.83 33.52 2khs s LYS 97 CO 0.00 -1.02 1.48 1.41 -0.92 0.00 0.00 175.35 176.30 2khs s MET 98 N 3.77 3.46 0.29 1.68 -2.45 -1.26 0.74 119.30 125.53 2khs s MET 98 Ca 0.44 0.92 0.02 0.00 -1.25 0.00 0.00 55.69 55.82 2khs s MET 98 Cb -0.11 -4.08 0.45 0.00 1.25 0.00 0.00 34.83 32.35 2khs s MET 98 CO 0.20 -1.71 1.77 0.28 1.05 0.00 0.00 175.02 176.61 2khs h VAL 99 N 6.52 1.24 -0.06 10.11 2.07 -0.72 0.28 116.25 135.69 2khs h VAL 99 Ca -0.28 -1.10 0.02 0.00 0.82 0.00 0.00 66.70 66.16 2khs h VAL 99 Cb 1.11 1.18 -0.02 0.00 -1.52 0.00 0.00 31.29 32.05 2khs h VAL 99 CO 1.10 0.36 -0.06 -1.13 0.02 0.00 0.00 177.57 177.86 2khs h ASN 100 N 0.48 -0.17 -0.46 0.57 -0.73 -1.88 0.39 115.58 113.78 2khs h ASN 100 Ca 0.08 0.04 -0.07 0.00 1.87 0.00 0.00 56.30 58.22 2khs h ASN 100 Cb 0.55 0.09 -0.02 0.00 0.27 0.00 0.00 38.32 39.21 2khs h ASN 100 CO 0.04 -0.08 0.03 -0.08 -0.37 0.00 0.00 177.43 176.96 2khs h GLU 101 N -0.07 0.80 -0.68 6.67 4.81 -1.84 -3.01 114.58 121.26 2khs h GLU 101 Ca 0.04 -0.24 0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2khs h GLU 101 Cb 0.14 -0.08 -0.06 0.00 0.63 0.00 0.00 28.75 29.37 2khs h GLU 101 CO -0.10 0.84 0.36 0.00 -0.73 0.00 0.00 179.01 179.37 2khs h ALA 102 N 0.93 0.92 -0.49 2.92 0.00 -0.39 0.47 119.26 123.63 2khs h ALA 102 Ca 0.13 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2khs h ALA 102 Cb 0.46 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2khs h ALA 102 CO 0.02 -0.00 0.21 -0.07 0.00 0.00 0.00 179.25 179.40 2khs h LEU 103 N 0.64 0.66 -0.51 0.00 3.38 -0.89 -0.99 115.31 117.59 2khs h LEU 103 Ca 0.32 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.98 2khs h LEU 103 Cb 0.27 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2khs h LEU 103 CO -0.22 0.63 -0.47 0.58 0.09 0.00 0.00 178.44 179.04 2khs h VAL 104 N 0.64 1.30 0.00 1.22 2.07 -1.24 0.91 116.25 121.16 2khs h VAL 104 Ca 0.16 -1.67 -0.04 0.00 0.82 0.00 0.00 66.70 65.97 2khs h VAL 104 Cb 0.17 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2khs h VAL 104 CO -0.02 0.53 -0.21 -0.09 0.02 0.00 0.00 177.57 177.81 2khs h ARG 105 N 0.54 0.00 -0.03 1.57 9.65 0.16 -1.26 114.38 125.01 2khs h ARG 105 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 2khs h ARG 105 Cb 1.03 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2khs h ARG 105 CO 0.10 0.21 0.00 1.04 2.80 0.00 0.00 179.97 184.11 2khs n GLN 106 N -3.68 2.03 -1.71 0.20 1.13 -0.40 -4.94 117.38 110.02 2khs n GLN 106 Ca -0.01 -1.49 -0.16 0.00 -1.94 0.00 0.00 57.00 53.40 2khs n GLN 106 Cb 0.33 -1.47 -0.05 0.00 0.11 0.00 0.00 30.24 29.16 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 1.27 1.03 0.19 1.08 0.00 -0.48 -4.84 105.19 103.45 2khs n GLY 107 Ca 0.16 -0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.02 2khs n GLY 107 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2khs h LEU 108 N 0.00 0.00 -7.31 0.99 3.38 -1.07 -3.46 115.31 107.84 2khs h LEU 108 Ca -0.34 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 2khs h LEU 108 Cb 1.10 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.71 2khs h LEU 108 CO 0.46 0.11 -0.02 0.00 0.09 0.00 0.00 178.44 179.08 2khs s ALA 109 N -3.18 -1.08 0.24 1.53 0.00 -1.15 -4.83 121.76 113.30 2khs s ALA 109 Ca 0.05 0.12 0.11 0.00 0.00 0.00 0.00 51.96 52.24 2khs s ALA 109 Cb 0.06 0.67 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 2khs s ALA 109 CO 0.70 -0.64 -0.20 -1.59 0.00 0.00 0.00 175.76 174.03 2khs s LYS 110 N -3.58 1.55 -0.25 0.00 -2.85 -1.12 -3.87 119.74 109.62 2khs s LYS 110 Ca 0.01 -1.64 -0.17 0.00 -1.00 0.00 0.00 55.97 53.16 2khs s LYS 110 Cb 0.01 -1.68 -0.03 0.00 -2.06 0.00 0.00 37.83 34.07 2khs s LYS 110 CO -0.11 0.33 0.49 0.54 0.10 0.00 0.00 175.35 176.70 2khs s VAL 111 N -2.27 5.09 -0.19 1.79 0.11 -1.26 0.49 120.40 124.16 2khs s VAL 111 Ca 0.25 0.84 0.01 0.00 -2.93 0.00 0.00 61.98 60.15 2khs s VAL 111 Cb -0.05 -3.81 0.02 0.00 -1.53 0.00 0.00 36.38 31.01 2khs s VAL 111 CO 0.12 0.11 -0.17 0.00 -3.33 0.00 0.00 175.10 171.83 2khs s ALA 112 N 2.14 2.41 -0.42 1.54 0.00 0.61 -4.87 121.76 123.17 2khs s ALA 112 Ca 0.21 -1.26 0.04 0.00 0.00 0.00 0.00 51.96 50.95 2khs s ALA 112 Cb -0.16 -1.28 0.11 0.00 0.00 0.00 0.00 23.12 21.80 2khs s ALA 112 CO 0.09 -0.42 0.15 1.52 0.00 0.00 0.00 175.76 177.09 2khs s TYR 113 N 1.30 3.49 -0.23 0.00 -0.85 -1.26 -4.26 117.35 115.53 2khs s TYR 113 Ca 0.04 -3.08 -0.04 0.00 -0.52 0.00 0.00 57.07 53.47 2khs s TYR 113 Cb -0.14 -2.87 0.09 0.00 0.38 0.00 0.00 41.96 39.42 2khs s TYR 113 CO -0.11 -0.85 0.15 0.08 -1.52 0.00 0.00 175.55 173.29 2khs s VAL 114 N 0.36 -0.15 -0.30 -3.49 1.01 -1.26 -5.12 120.40 111.46 2khs s VAL 114 Ca 0.14 -0.42 -0.16 0.00 0.00 0.00 0.00 61.98 61.54 2khs s VAL 114 Cb -0.22 -0.79 0.18 0.00 0.00 0.00 0.00 36.38 35.55 2khs s VAL 114 CO -0.04 -0.46 1.12 -0.47 0.00 0.00 0.00 175.10 175.25 2khs s TYR 115 N 2.18 -0.35 -0.00 5.22 5.04 -1.26 -5.11 117.35 123.06 2khs s TYR 115 Ca 0.06 0.66 0.01 0.00 -2.44 0.00 0.00 57.07 55.36 2khs s TYR 115 Cb -0.16 0.21 -0.04 0.00 0.35 0.00 0.00 41.96 42.33 2khs s TYR 115 CO -0.23 -0.17 0.03 0.15 -1.34 0.00 0.00 175.55 173.99 2khs s LYS 116 N 1.61 2.88 0.00 4.97 3.01 -1.26 -5.08 119.74 125.87 2khs s LYS 116 Ca -0.06 -0.57 0.00 0.00 -1.01 0.00 0.00 55.97 54.34 2khs s LYS 116 Cb -0.03 -2.74 0.00 0.00 -1.01 0.00 0.00 37.83 34.05 2khs s LYS 116 CO -0.14 0.63 0.00 -0.35 0.51 0.00 0.00 175.35 176.00 2khs n PRO 117 N 1.33 0.00 0.00 -1.68 -0.04 -1.26 -4.96 135.00 128.39 2khs n PRO 117 Ca -0.14 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.32 2khs n PRO 117 Cb 0.53 -0.21 0.00 0.00 -0.04 0.00 0.00 33.50 33.78 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 -0.27 0.75 0.00 3.54 5.15 -1.26 -4.99 115.26 118.19 2khs n ASN 118 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2khs n ASN 118 Cb 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.25 2khs n ASN 118 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 2khs n ASN 119 N -2.45 0.00 -0.07 1.20 2.04 -1.26 -4.98 115.26 109.73 2khs n ASN 119 Ca 0.00 0.00 -0.10 0.00 -0.44 0.00 0.00 54.58 54.04 2khs n ASN 119 Cb 0.24 0.06 -0.07 0.00 -2.53 0.00 0.00 39.78 37.49 2khs n ASN 119 CO 0.00 0.00 0.00 0.41 -0.44 0.00 0.00 177.26 177.23 2khs n THR 120 N -1.63 0.84 -0.68 5.53 -1.04 -1.26 -5.09 114.28 110.95 2khs n THR 120 Ca 0.00 -0.32 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 2khs n THR 120 Cb 0.00 -1.05 0.00 0.00 -1.82 0.00 0.00 70.33 67.46 2khs n THR 120 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43