#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 3.63 -0.60 0.00 2.01 -1.26 -4.80 115.64 114.63 2khs s THR 2 Ca 0.00 0.38 0.24 0.00 0.31 0.00 0.00 61.69 62.62 2khs s THR 2 Cb 0.00 -4.63 -0.01 0.00 0.01 0.00 0.00 72.50 67.87 2khs s THR 2 CO 0.00 -1.56 1.19 -1.54 -0.69 0.00 0.00 174.62 172.03 2khs n SER 3 N 10.26 0.67 -0.19 3.53 3.41 -1.26 -3.80 113.62 126.25 2khs n SER 3 Ca 0.08 0.02 -0.08 0.00 -0.26 0.00 0.00 58.87 58.63 2khs n SER 3 Cb 0.50 0.41 0.05 0.00 -0.26 0.00 0.00 64.21 64.91 2khs n SER 3 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 2khs h THR 4 N 0.00 1.26 -1.05 6.66 2.02 -2.09 -3.49 112.91 116.23 2khs h THR 4 Ca 0.00 -1.15 0.11 0.00 0.77 0.00 0.00 66.41 66.14 2khs h THR 4 Cb 0.76 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.97 2khs h THR 4 CO 0.00 0.41 -0.15 0.29 0.37 0.00 0.00 175.52 176.44 2khs n LYS 5 N -4.18 -0.84 0.00 6.66 5.02 -1.25 -5.06 118.16 118.52 2khs n LYS 5 Ca 0.03 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.87 2khs n LYS 5 Cb 0.35 -1.02 0.00 0.00 -0.02 0.00 0.00 35.03 34.34 2khs n LYS 5 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2khs n LYS 6 N -1.88 0.86 0.00 1.97 2.85 -1.26 -5.12 118.16 115.59 2khs n LYS 6 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 2khs n LYS 6 Cb 0.19 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.57 2khs n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2khs n LEU 7 N 0.00 0.00 -4.08 -5.58 4.77 -1.26 -4.39 117.00 106.46 2khs n LEU 7 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.65 2khs n LEU 7 Cb 0.00 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 40.95 2khs n LEU 7 CO 0.00 -0.34 -0.30 -1.00 -1.33 0.00 0.00 177.39 174.42 2khs s HIS 8 N 0.00 3.57 -0.32 -1.77 3.76 -1.23 -4.99 115.29 114.31 2khs s HIS 8 Ca 0.00 -2.56 -0.01 0.00 -0.15 0.00 0.00 55.06 52.34 2khs s HIS 8 Cb 0.00 -2.76 0.07 0.00 1.11 0.00 0.00 32.58 31.00 2khs s HIS 8 CO 0.00 -0.92 0.02 0.21 -0.85 0.00 0.00 174.74 173.20 2khs s LYS 9 N 1.05 2.26 0.06 1.40 2.36 -1.26 0.17 119.74 125.78 2khs s LYS 9 Ca 0.05 -1.42 -0.00 0.00 -2.55 0.00 0.00 55.97 52.05 2khs s LYS 9 Cb -0.20 -3.22 -0.04 0.00 -1.05 0.00 0.00 37.83 33.32 2khs s LYS 9 CO -0.05 -0.72 -0.04 -1.83 1.55 0.00 0.00 175.35 174.26 2khs s GLU 10 N 1.19 0.63 0.39 4.03 -1.05 0.01 -4.95 118.70 118.95 2khs s GLU 10 Ca -0.02 -1.19 -0.23 0.00 -0.15 0.00 0.00 54.97 53.38 2khs s GLU 10 Cb -0.20 0.10 -0.10 0.00 -0.44 0.00 0.00 34.13 33.49 2khs s GLU 10 CO -0.03 -0.08 0.97 -2.14 0.95 0.00 0.00 175.26 174.93 2khs s PRO 11 N -3.66 4.33 0.04 -4.83 0.02 -1.26 0.31 135.00 129.96 2khs s PRO 11 Ca 0.06 1.28 -0.06 0.00 0.02 0.00 0.00 61.00 62.30 2khs s PRO 11 Cb 0.06 -2.47 -0.01 0.00 0.02 0.00 0.00 34.50 32.09 2khs s PRO 11 CO -0.08 0.05 0.11 0.00 -0.33 0.00 0.00 177.00 176.75 2khs s ALA 12 N -1.87 -0.08 -0.05 -1.55 0.00 0.46 -4.35 121.76 114.33 2khs s ALA 12 Ca 0.57 -0.57 -0.02 0.00 0.00 0.00 0.00 51.96 51.94 2khs s ALA 12 Cb -0.15 0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.21 2khs s ALA 12 CO 0.20 -0.34 0.07 0.99 0.00 0.00 0.00 175.76 176.67 2khs s THR 13 N -2.79 4.75 0.22 0.00 2.01 0.18 -4.29 115.64 115.72 2khs s THR 13 Ca -0.03 -0.24 -0.23 0.00 0.31 0.00 0.00 61.69 61.50 2khs s THR 13 Cb -0.00 -3.10 -0.08 0.00 0.01 0.00 0.00 72.50 69.33 2khs s THR 13 CO -0.05 0.48 0.78 -1.48 -0.69 0.00 0.00 174.62 173.66 2khs s LEU 14 N -1.33 4.43 -0.16 4.42 2.34 -1.26 0.20 118.68 127.31 2khs s LEU 14 Ca 0.18 1.57 -0.14 0.00 0.06 0.00 0.00 54.13 55.79 2khs s LEU 14 Cb -0.12 -3.55 -0.06 0.00 -0.56 0.00 0.00 46.19 41.90 2khs s LEU 14 CO 0.08 0.08 -0.30 -0.38 -1.06 0.00 0.00 176.35 174.77 2khs n ILE 15 N 1.00 1.42 -3.68 1.48 5.41 0.43 -4.82 119.36 120.59 2khs n ILE 15 Ca -0.03 0.06 -0.13 0.00 1.00 0.00 0.00 62.75 63.65 2khs n ILE 15 Cb 0.50 -2.14 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 2khs n ILE 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 2khs s LYS 16 N -2.69 0.88 -0.55 0.38 1.02 -1.05 -5.02 119.74 112.72 2khs s LYS 16 Ca -0.27 -0.35 -0.07 0.00 0.02 0.00 0.00 55.97 55.31 2khs s LYS 16 Cb 0.06 0.39 0.14 0.00 -0.52 0.00 0.00 37.83 37.90 2khs s LYS 16 CO 0.38 -0.30 0.40 0.00 -0.92 0.00 0.00 175.35 174.91 2khs s ALA 17 N -2.33 3.49 0.20 5.17 0.00 -1.26 0.25 121.76 127.27 2khs s ALA 17 Ca -0.06 -2.85 -0.05 0.00 0.00 0.00 0.00 51.96 49.00 2khs s ALA 17 Cb -0.01 -2.79 0.15 0.00 0.00 0.00 0.00 23.12 20.47 2khs s ALA 17 CO -0.01 -1.99 1.60 0.82 0.00 0.00 0.00 175.76 176.17 2khs h ILE 18 N 5.76 1.28 -1.50 0.00 2.04 -1.76 -3.47 117.51 119.85 2khs h ILE 18 Ca -0.10 -1.41 0.00 0.00 1.00 0.00 0.00 64.86 64.34 2khs h ILE 18 Cb 1.03 1.29 0.00 0.00 -0.74 0.00 0.00 36.82 38.40 2khs h ILE 18 CO 0.78 0.47 0.00 -0.67 0.00 0.00 0.00 178.15 178.72 2khs n ASP 19 N -4.09 0.00 0.02 1.72 2.03 0.58 -4.97 116.55 111.85 2khs n ASP 19 Ca -0.01 -0.50 -0.00 0.00 0.52 0.00 0.00 54.79 54.80 2khs n ASP 19 Cb 0.47 0.00 -0.09 0.00 -0.72 0.00 0.00 41.12 40.78 2khs n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2khs n GLY 20 N 0.00 -1.18 0.12 0.27 0.00 -1.26 -4.20 105.19 98.94 2khs n GLY 20 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.86 1.56 -4.34 1.61 -0.08 -1.26 -4.86 116.55 106.31 2khs n ASP 21 Ca -0.11 0.19 -0.33 0.00 -1.51 0.00 0.00 54.79 53.03 2khs n ASP 21 Cb 0.84 -0.39 -0.14 0.00 2.34 0.00 0.00 41.12 43.77 2khs n ASP 21 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 2khs s THR 22 N -2.56 3.04 0.09 5.18 2.01 -1.26 -1.08 115.64 121.06 2khs s THR 22 Ca -0.19 -0.65 0.04 0.00 0.31 0.00 0.00 61.69 61.20 2khs s THR 22 Cb 0.07 -2.30 -0.03 0.00 0.01 0.00 0.00 72.50 70.25 2khs s THR 22 CO 0.76 0.51 -0.11 0.54 -0.69 0.00 0.00 174.62 175.63 2khs s VAL 23 N 0.64 0.94 -0.28 3.82 0.11 0.10 -0.30 120.40 125.42 2khs s VAL 23 Ca -0.07 -1.52 -0.03 0.00 -2.93 0.00 0.00 61.98 57.43 2khs s VAL 23 Cb -0.15 -1.23 0.03 0.00 -1.53 0.00 0.00 36.38 33.50 2khs s VAL 23 CO 0.03 -0.47 0.01 -0.75 -3.33 0.00 0.00 175.10 170.58 2khs s LYS 24 N -2.46 2.75 0.26 1.54 2.47 0.14 -0.24 119.74 124.19 2khs s LYS 24 Ca 0.03 -1.06 0.10 0.00 -1.56 0.00 0.00 55.97 53.48 2khs s LYS 24 Cb -0.05 -3.18 -0.05 0.00 -1.46 0.00 0.00 37.83 33.09 2khs s LYS 24 CO 0.01 -0.51 -0.09 -0.51 0.16 0.00 0.00 175.35 174.41 2khs s LEU 25 N 1.35 2.94 -0.29 5.43 2.01 -0.82 -0.43 118.68 128.87 2khs s LEU 25 Ca -0.01 -0.77 0.02 0.00 0.01 0.00 0.00 54.13 53.38 2khs s LEU 25 Cb -0.18 -1.48 0.08 0.00 0.01 0.00 0.00 46.19 44.62 2khs s LEU 25 CO -0.01 0.03 -0.01 -0.32 1.01 0.00 0.00 176.35 177.05 2khs s MET 26 N -3.48 1.59 -0.25 1.70 -2.45 0.13 -0.68 119.30 115.86 2khs s MET 26 Ca 0.30 -1.43 -0.05 0.00 -1.25 0.00 0.00 55.69 53.26 2khs s MET 26 Cb -0.06 -2.82 -0.01 0.00 1.25 0.00 0.00 34.83 33.19 2khs s MET 26 CO 0.17 -0.77 0.02 1.52 1.05 0.00 0.00 175.02 177.01 2khs s TYR 27 N 1.17 3.05 -1.67 4.11 1.13 0.27 0.52 117.35 125.92 2khs s TYR 27 Ca 0.02 -0.88 0.00 0.00 -1.41 0.00 0.00 57.07 54.80 2khs s TYR 27 Cb -0.19 -2.17 0.00 0.00 -1.10 0.00 0.00 41.96 38.50 2khs s TYR 27 CO -0.09 -0.53 0.00 1.63 -2.51 0.00 0.00 175.55 174.05 2khs n LYS 28 N 4.83 -1.43 -0.30 -3.49 5.02 -1.26 -0.77 118.16 120.76 2khs n LYS 28 Ca -0.17 0.96 0.00 0.00 -2.02 0.00 0.00 58.31 57.08 2khs n LYS 28 Cb 0.50 -5.43 0.00 0.00 -0.02 0.00 0.00 35.03 30.08 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 -0.95 0.69 3.35 0.72 0.00 -1.26 -5.05 105.19 102.69 2khs n GLY 29 Ca -0.21 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.40 2khs n GLY 29 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2khs s GLN 30 N -0.70 2.79 -0.23 1.61 0.74 0.05 -5.06 119.66 118.85 2khs s GLN 30 Ca 0.00 -1.25 -0.26 0.00 0.05 0.00 0.00 55.36 53.90 2khs s GLN 30 Cb 0.00 -3.83 -0.00 0.00 1.10 0.00 0.00 33.01 30.27 2khs s GLN 30 CO 0.00 -0.84 0.90 -1.25 -0.55 0.00 0.00 175.29 173.55 2khs s PRO 31 N 1.54 4.22 0.09 1.67 0.05 -1.26 -0.56 135.00 140.74 2khs s PRO 31 Ca 0.03 1.09 0.03 0.00 0.05 0.00 0.00 61.00 62.19 2khs s PRO 31 Cb -0.21 -3.64 -0.04 0.00 0.05 0.00 0.00 34.50 30.66 2khs s PRO 31 CO 0.05 -0.54 -0.08 -1.64 0.05 0.00 0.00 177.00 174.84 2khs s MET 32 N 2.90 0.78 -0.27 4.56 -1.94 0.14 -4.99 119.30 120.49 2khs s MET 32 Ca 0.38 -1.16 -0.17 0.00 -1.71 0.00 0.00 55.69 53.03 2khs s MET 32 Cb -0.15 -0.34 -0.03 0.00 2.01 0.00 0.00 34.83 36.32 2khs s MET 32 CO 0.07 0.03 0.49 0.99 -0.01 0.00 0.00 175.02 176.60 2khs s THR 33 N -2.75 5.08 0.00 2.05 2.01 -1.26 -1.94 115.64 118.83 2khs s THR 33 Ca 0.05 0.78 0.07 0.00 0.31 0.00 0.00 61.69 62.90 2khs s THR 33 Cb -0.01 -3.82 -0.03 0.00 0.01 0.00 0.00 72.50 68.65 2khs s THR 33 CO -0.02 0.07 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.42 2khs s PHE 34 N 2.29 2.53 0.15 4.92 0.08 0.67 -0.53 117.98 128.08 2khs s PHE 34 Ca 0.20 -0.28 0.05 0.00 0.12 0.00 0.00 56.93 57.02 2khs s PHE 34 Cb -0.16 -1.51 -0.04 0.00 -0.57 0.00 0.00 43.02 40.75 2khs s PHE 34 CO 0.10 0.16 0.11 1.03 -0.10 0.00 0.00 175.22 176.52 2khs s ARG 35 N -1.05 2.83 -0.05 0.44 0.52 0.11 0.01 118.95 121.77 2khs s ARG 35 Ca 0.12 -0.86 -0.26 0.00 -0.52 0.00 0.00 55.73 54.21 2khs s ARG 35 Cb -0.10 -2.62 -0.03 0.00 0.52 0.00 0.00 34.95 32.71 2khs s ARG 35 CO 0.02 0.50 0.82 -0.51 0.02 0.00 0.00 175.30 176.15 2khs s LEU 36 N -2.94 4.32 0.18 2.53 1.43 -0.24 -1.97 118.68 122.01 2khs s LEU 36 Ca 0.30 1.37 -0.33 0.00 -1.03 0.00 0.00 54.13 54.44 2khs s LEU 36 Cb -0.10 -3.29 -0.13 0.00 0.03 0.00 0.00 46.19 42.70 2khs s LEU 36 CO 0.22 -0.20 1.62 0.18 0.23 0.00 0.00 176.35 178.41 2khs n LEU 37 N 3.96 3.45 -0.07 1.79 4.77 0.17 -2.04 117.00 129.03 2khs n LEU 37 Ca 0.02 1.08 -0.01 0.00 -0.03 0.00 0.00 56.01 57.07 2khs n LEU 37 Cb 0.51 -1.48 -0.00 0.00 -2.33 0.00 0.00 43.42 40.11 2khs n LEU 37 CO 0.49 -0.12 -0.01 0.18 -1.33 0.00 0.00 177.39 176.61 2khs n LEU 38 N 3.54 0.22 -4.47 2.23 4.77 -1.24 -4.86 117.00 117.18 2khs n LEU 38 Ca 0.16 0.02 -0.33 0.00 -0.03 0.00 0.00 56.01 55.83 2khs n LEU 38 Cb 0.31 -1.16 -0.13 0.00 -2.33 0.00 0.00 43.42 40.11 2khs n LEU 38 CO 0.64 -0.33 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.29 2khs s VAL 39 N -1.75 3.60 -0.25 4.08 1.01 -0.86 -1.49 120.40 124.73 2khs s VAL 39 Ca 0.00 -0.47 -0.00 0.00 0.00 0.00 0.00 61.98 61.51 2khs s VAL 39 Cb 0.00 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.91 2khs s VAL 39 CO 0.00 0.51 0.00 -0.62 0.00 0.00 0.00 175.10 175.00 2khs s ASP 40 N 0.23 3.77 -0.04 3.32 2.15 0.18 -4.39 116.67 121.89 2khs s ASP 40 Ca -0.05 -1.28 0.05 0.00 0.43 0.00 0.00 52.55 51.71 2khs s ASP 40 Cb -0.14 -1.03 -0.08 0.00 -0.30 0.00 0.00 42.92 41.37 2khs s ASP 40 CO 0.04 -0.30 0.05 0.41 -0.17 0.00 0.00 175.17 175.20 2khs n THR 41 N 4.75 0.28 -1.52 1.71 -1.04 -1.26 -0.69 114.28 116.51 2khs n THR 41 Ca -0.08 -0.21 -0.47 0.00 -2.04 0.00 0.00 64.05 61.26 2khs n THR 41 Cb 0.44 -0.51 -0.05 0.00 -1.82 0.00 0.00 70.33 68.39 2khs n THR 41 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2khs n PRO 42 N -2.07 1.47 -2.83 -2.82 -0.02 -1.26 -4.90 135.00 122.57 2khs n PRO 42 Ca -0.07 0.39 -0.42 0.00 -2.02 0.00 0.00 63.50 61.38 2khs n PRO 42 Cb 0.53 -2.85 -0.04 0.00 -0.02 0.00 0.00 33.50 31.13 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 6.40 4.30 0.00 -0.52 -6.30 -1.26 -4.89 118.70 116.43 2khs s GLU 43 Ca 1.06 1.11 0.00 0.00 -2.50 0.00 0.00 54.97 54.64 2khs s GLU 43 Cb -0.60 -3.58 0.00 0.00 0.00 0.00 0.00 34.13 29.95 2khs s GLU 43 CO 0.42 -0.38 0.42 -2.37 0.02 0.00 0.00 175.26 173.37 2khs n THR 44 N 4.81 0.06 0.03 -1.70 5.66 -1.26 -4.67 114.28 117.21 2khs n THR 44 Ca 0.06 -0.41 -0.21 0.00 -3.05 0.00 0.00 64.05 60.45 2khs n THR 44 Cb 0.48 1.19 -0.14 0.00 -1.55 0.00 0.00 70.33 70.32 2khs n THR 44 CO 0.00 0.00 0.00 0.50 -3.05 0.00 0.00 175.07 172.52 2khs h LYS 45 N 0.00 0.27 -3.39 1.09 3.64 -2.02 -3.50 116.57 112.66 2khs h LYS 45 Ca 0.00 -0.46 0.00 0.00 -1.27 0.00 0.00 60.65 58.92 2khs h LYS 45 Cb 0.16 0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2khs h LYS 45 CO 0.00 1.22 -0.49 0.72 -2.27 0.00 0.00 179.45 178.63 2khs n HIS 46 N -4.05 -1.71 -0.04 1.91 8.25 -1.26 -4.94 115.22 113.39 2khs n HIS 46 Ca -0.19 1.01 -0.02 0.00 -0.26 0.00 0.00 57.72 58.26 2khs n HIS 46 Cb 0.85 -2.52 0.24 0.00 1.12 0.00 0.00 29.99 29.68 2khs n HIS 46 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2khs h PRO 47 N 1.53 0.61 0.00 -0.41 0.13 -1.97 -3.46 132.00 128.43 2khs h PRO 47 Ca -0.12 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2khs h PRO 47 Cb 0.26 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2khs h PRO 47 CO 0.00 0.64 0.00 1.63 -0.23 0.00 0.00 178.00 180.05 2khs n LYS 48 N -4.25 0.00 -0.08 0.86 5.02 -1.26 -4.60 118.16 113.85 2khs n LYS 48 Ca 0.02 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.29 2khs n LYS 48 Cb 0.27 -0.15 0.22 0.00 -0.02 0.00 0.00 35.03 35.35 2khs n LYS 48 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 2khs h LYS 49 N 0.00 0.72 0.00 1.97 2.10 -2.04 -3.48 116.57 115.84 2khs h LYS 49 Ca 0.00 -0.16 0.00 0.00 -2.00 0.00 0.00 60.65 58.49 2khs h LYS 49 Cb 0.00 -0.10 0.00 0.00 -0.90 0.00 0.00 32.23 31.23 2khs h LYS 49 CO 0.00 0.69 0.00 0.41 -2.00 0.00 0.00 179.45 178.55 2khs n GLY 50 N -0.83 -0.78 3.49 0.07 0.00 -1.26 -5.05 105.19 100.83 2khs n GLY 50 Ca 0.03 -0.85 -0.43 0.00 0.00 0.00 0.00 46.02 44.77 2khs n GLY 50 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2khs n VAL 51 N 3.47 3.97 0.76 1.61 3.14 -1.26 -4.53 118.33 125.48 2khs n VAL 51 Ca 0.00 -4.13 0.12 0.00 -2.96 0.00 0.00 64.34 57.37 2khs n VAL 51 Cb 0.00 -2.39 0.16 0.00 -1.06 0.00 0.00 33.84 30.55 2khs n VAL 51 CO 0.00 0.00 0.00 1.21 -6.46 0.00 0.00 176.83 171.58 2khs n GLU 52 N 7.76 0.16 -0.10 1.45 2.13 -1.26 -4.25 120.64 126.53 2khs n GLU 52 Ca 0.47 0.03 -0.06 0.00 0.66 0.00 0.00 57.16 58.26 2khs n GLU 52 Cb 0.45 -1.58 0.12 0.00 0.27 0.00 0.00 31.44 30.69 2khs n GLU 52 CO 0.00 0.00 0.00 0.87 -0.41 0.00 0.00 177.13 177.59 2khs h LYS 53 N 0.00 0.79 -2.52 5.31 1.57 -2.00 -3.47 116.57 116.25 2khs h LYS 53 Ca 0.00 -0.27 -0.41 0.00 -1.87 0.00 0.00 60.65 58.10 2khs h LYS 53 Cb 0.63 -0.06 -0.06 0.00 0.08 0.00 0.00 32.23 32.82 2khs h LYS 53 CO 0.00 0.88 -0.48 0.66 -0.57 0.00 0.00 179.45 179.93 2khs n TYR 54 N -4.16 -0.77 0.01 -1.35 4.01 -1.26 -4.93 117.16 108.72 2khs n TYR 54 Ca 0.01 0.00 -0.11 0.00 -0.16 0.00 0.00 57.90 57.64 2khs n TYR 54 Cb 0.37 -3.78 -0.05 0.00 -0.31 0.00 0.00 39.34 35.58 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 -0.54 0.86 2.72 0.00 -1.94 -1.18 103.07 102.99 2khs h GLY 55 Ca -0.47 0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.40 2khs h GLY 55 CO 0.58 -0.23 0.51 -2.55 0.00 0.00 0.00 176.54 174.85 2khs h PRO 56 N -0.44 0.69 0.16 4.80 0.11 -1.98 0.94 132.00 136.27 2khs h PRO 56 Ca 0.09 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.15 2khs h PRO 56 Cb 0.58 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.54 2khs h PRO 56 CO -0.36 0.45 -0.08 0.93 -0.21 0.00 0.00 178.00 178.74 2khs h GLU 57 N 0.71 -0.21 -0.46 1.05 3.07 -1.79 -1.40 114.58 115.55 2khs h GLU 57 Ca 0.36 0.01 -0.10 0.00 -0.50 0.00 0.00 59.36 59.13 2khs h GLU 57 Cb 0.45 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.39 2khs h GLU 57 CO -0.13 -0.04 -0.10 0.00 -1.40 0.00 0.00 179.01 177.34 2khs h ALA 58 N 0.49 0.63 -0.20 3.43 0.00 -0.74 -1.85 119.26 121.01 2khs h ALA 58 Ca -0.02 -0.33 -0.10 0.00 0.00 0.00 0.00 54.91 54.46 2khs h ALA 58 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2khs h ALA 58 CO 0.04 0.51 -0.31 0.77 0.00 0.00 0.00 179.25 180.26 2khs h SER 59 N 0.71 0.41 -0.23 0.00 0.02 -0.81 -1.54 113.55 112.11 2khs h SER 59 Ca 0.12 -0.15 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 2khs h SER 59 Cb 0.64 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 63.06 2khs h SER 59 CO 0.04 0.71 -0.52 0.00 -1.14 0.00 0.00 176.83 175.92 2khs h ALA 60 N 1.32 0.54 -0.67 3.77 0.00 -1.18 -3.05 119.26 120.00 2khs h ALA 60 Ca 0.05 -0.50 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2khs h ALA 60 Cb 0.72 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2khs h ALA 60 CO 0.05 0.68 0.30 0.35 0.00 0.00 0.00 179.25 180.63 2khs h PHE 61 N 0.64 0.99 -0.43 0.00 3.57 -0.66 0.26 116.94 121.31 2khs h PHE 61 Ca 0.02 -0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 2khs h PHE 61 Cb 1.11 -0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 2khs h PHE 61 CO 0.06 0.76 0.16 1.79 -2.23 0.00 0.00 178.31 178.85 2khs h THR 62 N 0.94 1.21 -0.20 4.41 1.35 -1.36 -0.63 112.91 118.62 2khs h THR 62 Ca 0.23 -0.65 0.03 0.00 -0.55 0.00 0.00 66.41 65.46 2khs h THR 62 Cb 0.16 0.84 -0.03 0.00 -1.73 0.00 0.00 68.15 67.39 2khs h THR 62 CO -0.02 0.24 0.04 0.11 -0.25 0.00 0.00 175.52 175.63 2khs h LYS 63 N 0.54 0.11 -1.00 4.72 1.57 -1.32 0.17 116.57 121.37 2khs h LYS 63 Ca 0.14 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 2khs h LYS 63 Cb 0.21 -0.03 -0.07 0.00 0.08 0.00 0.00 32.23 32.43 2khs h LYS 63 CO -0.01 0.08 0.65 0.87 -0.57 0.00 0.00 179.45 180.46 2khs h LYS 64 N 0.12 1.14 0.05 3.15 1.57 -0.71 0.13 116.57 122.03 2khs h LYS 64 Ca 0.09 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.80 2khs h LYS 64 Cb 0.09 -0.26 0.00 0.00 0.08 0.00 0.00 32.23 32.14 2khs h LYS 64 CO -0.12 0.76 -0.03 0.52 -0.57 0.00 0.00 179.45 180.00 2khs h MET 65 N 1.18 -0.07 0.00 3.15 2.86 -0.51 -2.81 114.93 118.72 2khs h MET 65 Ca 0.43 0.00 -0.11 0.00 -2.06 0.00 0.00 59.70 57.97 2khs h MET 65 Cb 0.16 0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 2khs h MET 65 CO -0.17 0.48 -0.52 -0.39 1.06 0.00 0.00 176.91 177.37 2khs h VAL 66 N -0.68 1.09 0.00 -2.22 -1.51 -0.40 -0.68 116.25 111.85 2khs h VAL 66 Ca -0.01 -1.97 -0.00 0.00 -1.23 0.00 0.00 66.70 63.49 2khs h VAL 66 Cb 0.58 2.16 -0.00 0.00 -2.13 0.00 0.00 31.29 31.90 2khs h VAL 66 CO 0.01 0.51 -0.63 -0.33 -1.23 0.00 0.00 177.57 175.90 2khs h GLU 67 N 0.00 0.00 0.00 5.19 5.08 -0.87 -3.18 114.58 120.80 2khs h GLU 67 Ca -0.01 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.24 2khs h GLU 67 Cb 1.11 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.35 2khs h GLU 67 CO 0.07 0.01 -0.77 -0.97 -1.00 0.00 0.00 179.01 176.34 2khs h ASN 68 N 0.00 0.00 -2.24 1.42 -0.73 -1.26 -3.47 115.58 109.31 2khs h ASN 68 Ca -0.00 0.00 -0.60 0.00 1.87 0.00 0.00 56.30 57.56 2khs h ASN 68 Cb 1.01 0.00 0.06 0.00 0.27 0.00 0.00 38.32 39.67 2khs h ASN 68 CO 0.00 0.47 0.67 0.00 -0.37 0.00 0.00 177.43 178.20 2khs n ALA 69 N -2.27 0.78 0.09 1.57 0.00 -0.28 -4.90 120.51 115.50 2khs n ALA 69 Ca -0.01 0.45 -0.20 0.00 0.00 0.00 0.00 53.44 53.68 2khs n ALA 69 Cb 0.74 -2.27 -0.15 0.00 0.00 0.00 0.00 19.45 17.78 2khs n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2khs h LYS 70 N 5.17 0.35 -3.91 0.00 1.57 -1.88 -3.45 116.57 114.43 2khs h LYS 70 Ca -0.45 -0.60 -0.47 0.00 -1.87 0.00 0.00 60.65 57.25 2khs h LYS 70 Cb 1.28 0.22 -0.38 0.00 0.08 0.00 0.00 32.23 33.43 2khs h LYS 70 CO 0.83 1.25 -0.78 0.15 -0.57 0.00 0.00 179.45 180.33 2khs s LYS 71 N -2.61 0.98 -0.38 3.15 1.02 -1.26 -4.96 119.74 115.68 2khs s LYS 71 Ca -0.10 -0.05 -0.14 0.00 0.02 0.00 0.00 55.97 55.70 2khs s LYS 71 Cb 0.06 -1.24 0.00 0.00 -0.52 0.00 0.00 37.83 36.13 2khs s LYS 71 CO 0.88 -0.30 0.29 0.42 -0.92 0.00 0.00 175.35 175.73 2khs s ILE 72 N 1.86 5.25 -0.01 2.17 1.01 -1.26 0.43 121.20 130.65 2khs s ILE 72 Ca 0.05 -0.40 0.05 0.00 0.00 0.00 0.00 60.65 60.34 2khs s ILE 72 Cb -0.12 -3.84 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2khs s ILE 72 CO -0.06 -0.18 -0.14 -1.61 0.00 0.00 0.00 174.94 172.94 2khs s GLU 73 N 1.76 2.38 -0.19 2.79 0.41 -0.63 -0.40 118.70 124.82 2khs s GLU 73 Ca 0.07 -0.79 -0.04 0.00 -0.41 0.00 0.00 54.97 53.80 2khs s GLU 73 Cb -0.18 -2.34 -0.02 0.00 -1.78 0.00 0.00 34.13 29.81 2khs s GLU 73 CO 0.11 0.60 -0.04 0.14 -0.49 0.00 0.00 175.26 175.58 2khs s VAL 74 N -0.83 3.65 -0.16 2.63 -7.23 0.15 -1.18 120.40 117.44 2khs s VAL 74 Ca 0.13 -0.42 -0.00 0.00 -1.81 0.00 0.00 61.98 59.88 2khs s VAL 74 Cb -0.11 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.20 2khs s VAL 74 CO 0.03 0.45 -0.13 -0.70 -0.31 0.00 0.00 175.10 174.44 2khs s GLU 75 N 0.94 3.27 -0.17 4.82 2.12 0.18 -0.81 118.70 129.05 2khs s GLU 75 Ca 0.00 -0.72 -0.13 0.00 0.36 0.00 0.00 54.97 54.48 2khs s GLU 75 Cb -0.15 -2.68 -0.05 0.00 0.26 0.00 0.00 34.13 31.52 2khs s GLU 75 CO 0.01 0.03 0.28 0.12 -0.54 0.00 0.00 175.26 175.16 2khs s PHE 76 N 0.81 3.44 0.39 5.30 5.36 0.13 -0.77 117.98 132.63 2khs s PHE 76 Ca -0.05 0.55 -0.04 0.00 -0.96 0.00 0.00 56.93 56.43 2khs s PHE 76 Cb -0.15 -2.34 0.08 0.00 -0.34 0.00 0.00 43.02 40.27 2khs s PHE 76 CO 0.00 0.20 0.53 -3.47 -1.46 0.00 0.00 175.22 171.03 2khs n ASP 77 N 3.72 0.29 -0.95 6.13 -0.08 -1.26 -3.48 116.55 120.92 2khs n ASP 77 Ca -0.12 -1.35 0.10 0.00 -1.51 0.00 0.00 54.79 51.91 2khs n ASP 77 Cb 0.52 -0.38 0.26 0.00 2.34 0.00 0.00 41.12 43.86 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 -2.07 2.22 0.00 -0.67 4.76 -1.26 -4.84 118.16 116.29 2khs n LYS 78 Ca 0.07 -1.87 0.00 0.00 -2.87 0.00 0.00 58.31 53.65 2khs n LYS 78 Cb 0.26 -1.44 0.00 0.00 -1.84 0.00 0.00 35.03 32.01 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 1.35 1.01 3.87 0.72 0.00 -1.26 -4.27 105.19 106.62 2khs n GLY 79 Ca 0.18 -1.03 -0.35 0.00 0.00 0.00 0.00 46.02 44.82 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 0.98 3.72 0.03 1.61 1.11 -1.26 -4.66 119.66 121.19 2khs s GLN 80 Ca 0.00 0.12 0.12 0.00 0.01 0.00 0.00 55.36 55.61 2khs s GLN 80 Cb 0.00 -3.05 -0.20 0.00 -1.01 0.00 0.00 33.01 28.75 2khs s GLN 80 CO 0.00 0.61 0.88 -0.09 0.01 0.00 0.00 175.29 176.70 2khs h ARG 81 N 3.95 0.00 -5.82 2.91 2.43 -1.93 -3.43 114.38 112.49 2khs h ARG 81 Ca -0.50 0.00 -0.66 0.00 -0.81 0.00 0.00 59.98 58.01 2khs h ARG 81 Cb 1.20 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 30.67 2khs h ARG 81 CO 0.65 0.59 -0.53 0.95 -1.51 0.00 0.00 179.97 180.13 2khs s THR 82 N -2.69 5.14 0.21 0.20 -4.23 -1.26 0.38 115.64 113.39 2khs s THR 82 Ca -0.03 -0.10 -0.09 0.00 -1.18 0.00 0.00 61.69 60.30 2khs s THR 82 Cb 0.09 -3.30 -0.07 0.00 1.34 0.00 0.00 72.50 70.55 2khs s THR 82 CO 0.82 0.47 0.52 -0.62 -0.54 0.00 0.00 174.62 175.27 2khs s ASP 83 N -1.42 6.61 0.41 3.99 2.15 0.98 -4.76 116.67 124.63 2khs s ASP 83 Ca 0.20 0.87 0.29 0.00 0.43 0.00 0.00 52.55 54.34 2khs s ASP 83 Cb -0.12 -2.21 1.26 0.00 -0.30 0.00 0.00 42.92 41.55 2khs s ASP 83 CO 0.10 -0.04 1.87 0.07 -0.17 0.00 0.00 175.17 177.00 2khs h LYS 84 N 2.66 0.00 -0.02 4.34 5.09 -1.99 -1.89 116.57 124.77 2khs h LYS 84 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.27 2khs h LYS 84 Cb 1.17 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.50 2khs h LYS 84 CO 0.69 0.00 -0.20 0.98 -2.09 0.00 0.00 179.45 178.83 2khs n TYR 85 N -2.66 0.00 0.00 0.07 9.36 -1.26 -4.93 117.16 117.74 2khs n TYR 85 Ca 0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.23 2khs n TYR 85 Cb 0.24 -0.02 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 2khs n TYR 85 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2khs n GLY 86 N 1.35 1.53 3.45 2.98 0.00 -0.71 -5.11 105.19 108.68 2khs n GLY 86 Ca 0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.37 0.72 -4.02 1.61 3.00 -1.24 -4.92 116.66 110.44 2khs n ARG 87 Ca 0.00 -3.00 -0.29 0.00 -0.01 0.00 0.00 57.85 54.56 2khs n ARG 87 Cb 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 32.46 32.56 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 -4.09 1.91 -0.21 -0.13 0.00 0.31 -0.02 107.32 105.08 2khs s GLY 88 Ca 0.36 -1.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.99 2khs s GLY 88 CO 0.23 -1.04 0.00 1.08 0.00 0.00 0.00 173.10 173.37 2khs s LEU 89 N -2.76 3.19 0.06 0.66 1.43 0.16 0.07 118.68 121.49 2khs s LEU 89 Ca 0.32 -0.26 -0.06 0.00 -1.03 0.00 0.00 54.13 53.10 2khs s LEU 89 Cb -0.11 -1.82 -0.01 0.00 0.03 0.00 0.00 46.19 44.27 2khs s LEU 89 CO 0.24 0.02 0.10 0.00 0.23 0.00 0.00 176.35 176.95 2khs s ALA 90 N 1.25 -0.00 -0.18 4.21 0.00 -0.83 -4.78 121.76 121.42 2khs s ALA 90 Ca 0.04 -0.71 -0.07 0.00 0.00 0.00 0.00 51.96 51.21 2khs s ALA 90 Cb -0.15 0.34 -0.04 0.00 0.00 0.00 0.00 23.12 23.27 2khs s ALA 90 CO 0.01 -0.40 0.06 -0.47 0.00 0.00 0.00 175.76 174.96 2khs s TYR 91 N -3.35 3.24 -0.23 0.00 6.14 0.05 -0.66 117.35 122.54 2khs s TYR 91 Ca 0.01 0.06 -0.11 0.00 0.64 0.00 0.00 57.07 57.67 2khs s TYR 91 Cb 0.03 -2.08 -0.05 0.00 0.42 0.00 0.00 41.96 40.28 2khs s TYR 91 CO -0.08 0.14 0.18 0.42 0.64 0.00 0.00 175.55 176.86 2khs s ILE 92 N 0.39 5.35 -0.13 3.14 -1.09 -1.26 -0.65 121.20 126.95 2khs s ILE 92 Ca 0.03 0.24 -0.02 0.00 -2.23 0.00 0.00 60.65 58.68 2khs s ILE 92 Cb -0.12 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.21 2khs s ILE 92 CO 0.00 0.35 -0.07 -0.31 -1.23 0.00 0.00 174.94 173.68 2khs s TYR 93 N 0.99 2.95 -0.54 3.97 1.51 -0.32 -1.99 117.35 123.92 2khs s TYR 93 Ca 0.09 -0.35 -0.11 0.00 -1.01 0.00 0.00 57.07 55.69 2khs s TYR 93 Cb -0.13 -1.88 0.14 0.00 -0.11 0.00 0.00 41.96 39.97 2khs s TYR 93 CO 0.04 -0.03 0.44 0.00 -1.11 0.00 0.00 175.55 174.89 2khs s ALA 94 N 0.16 3.55 -0.72 3.71 0.00 0.58 -1.60 121.76 127.44 2khs s ALA 94 Ca -0.04 -2.68 -0.04 0.00 0.00 0.00 0.00 51.96 49.21 2khs s ALA 94 Cb -0.14 -3.01 0.04 0.00 0.00 0.00 0.00 23.12 20.01 2khs s ALA 94 CO 0.04 -1.99 0.16 -0.40 0.00 0.00 0.00 175.76 173.56 2khs n ASP 95 N 4.80 -2.38 0.00 0.00 5.75 0.17 -0.12 116.55 124.77 2khs n ASP 95 Ca -0.06 0.07 0.00 0.00 -0.01 0.00 0.00 54.79 54.78 2khs n ASP 95 Cb 0.41 -2.07 0.00 0.00 -1.03 0.00 0.00 41.12 38.43 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 -0.77 0.79 3.69 6.12 0.00 -1.26 -4.95 105.19 108.80 2khs n GLY 96 Ca -0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.64 4.12 -0.57 1.61 1.02 0.83 -5.04 119.74 121.06 2khs s LYS 97 Ca 0.00 -0.23 -0.28 0.00 0.02 0.00 0.00 55.97 55.48 2khs s LYS 97 Cb 0.00 -3.50 0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2khs s LYS 97 CO 0.00 0.15 1.31 -1.64 -0.92 0.00 0.00 175.35 174.24 2khs s MET 98 N 0.81 3.40 0.07 1.68 -1.94 -1.26 -0.31 119.30 121.75 2khs s MET 98 Ca 0.08 0.35 -0.16 0.00 -1.71 0.00 0.00 55.69 54.24 2khs s MET 98 Cb -0.13 -4.07 -0.13 0.00 2.01 0.00 0.00 34.83 32.51 2khs s MET 98 CO 0.02 -1.82 1.33 0.28 -0.01 0.00 0.00 175.02 174.82 2khs h VAL 99 N 6.26 1.33 -0.08 -6.03 2.07 -1.78 -2.45 116.25 115.58 2khs h VAL 99 Ca -0.26 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 65.64 2khs h VAL 99 Cb 1.07 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.71 2khs h VAL 99 CO 1.18 0.50 -0.00 0.78 0.02 0.00 0.00 177.57 180.05 2khs h ASN 100 N 0.29 -0.04 -0.49 0.57 4.21 -1.90 -1.59 115.58 116.62 2khs h ASN 100 Ca 0.01 0.02 -0.05 0.00 1.21 0.00 0.00 56.30 57.48 2khs h ASN 100 Cb 1.00 0.03 -0.03 0.00 -1.12 0.00 0.00 38.32 38.21 2khs h ASN 100 CO 0.09 -0.01 0.13 -0.08 -1.29 0.00 0.00 177.43 176.27 2khs h GLU 101 N 0.02 0.84 -0.56 0.81 4.81 -1.93 -2.65 114.58 115.94 2khs h GLU 101 Ca 0.04 -0.18 0.01 0.00 -0.13 0.00 0.00 59.36 59.10 2khs h GLU 101 Cb 0.04 -0.13 -0.03 0.00 0.63 0.00 0.00 28.75 29.27 2khs h GLU 101 CO -0.06 0.76 0.36 0.00 -0.73 0.00 0.00 179.01 179.34 2khs h ALA 102 N 1.33 0.71 0.16 2.92 0.00 -0.90 0.25 119.26 123.72 2khs h ALA 102 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2khs h ALA 102 Cb 0.30 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2khs h ALA 102 CO -0.00 0.11 -0.15 -0.07 0.00 0.00 0.00 179.25 179.14 2khs h LEU 103 N 0.72 -0.41 -0.59 0.00 3.38 -1.02 -1.17 115.31 116.23 2khs h LEU 103 Ca 0.21 0.04 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2khs h LEU 103 Cb -0.05 0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2khs h LEU 103 CO -0.06 -0.24 0.11 0.58 0.09 0.00 0.00 178.44 178.92 2khs h VAL 104 N -0.34 1.26 -0.15 1.22 2.07 -1.15 0.29 116.25 119.45 2khs h VAL 104 Ca 0.00 -0.97 -0.05 0.00 0.82 0.00 0.00 66.70 66.50 2khs h VAL 104 Cb 0.32 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 2khs h VAL 104 CO -0.04 0.36 -0.13 -0.09 0.02 0.00 0.00 177.57 177.69 2khs h ARG 105 N 0.87 0.23 -0.01 1.57 2.43 -0.35 -0.84 114.38 118.28 2khs h ARG 105 Ca 0.18 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2khs h ARG 105 Cb 0.40 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.92 2khs h ARG 105 CO 0.01 0.37 -0.04 1.04 -1.51 0.00 0.00 179.97 179.83 2khs n GLN 106 N -4.28 1.37 -1.37 0.20 1.13 -0.46 -4.91 117.38 109.06 2khs n GLN 106 Ca -0.01 -0.69 -0.06 0.00 -1.94 0.00 0.00 57.00 54.30 2khs n GLN 106 Cb 0.26 -1.49 -0.02 0.00 0.11 0.00 0.00 30.24 29.11 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 1.18 0.68 0.21 1.08 0.00 -0.32 -4.88 105.19 103.14 2khs n GLY 107 Ca 0.19 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.70 1.02 -3.78 0.99 4.77 0.98 -4.90 117.00 115.38 2khs n LEU 108 Ca -0.06 -0.27 -0.10 0.00 -0.03 0.00 0.00 56.01 55.55 2khs n LEU 108 Cb 0.27 -0.13 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2khs n LEU 108 CO 0.09 0.20 0.12 0.00 -1.33 0.00 0.00 177.39 176.46 2khs s ALA 109 N -2.62 -0.59 0.20 -1.18 0.00 -1.08 -4.83 121.76 111.64 2khs s ALA 109 Ca 0.20 -0.40 0.11 0.00 0.00 0.00 0.00 51.96 51.87 2khs s ALA 109 Cb 0.19 0.76 -0.04 0.00 0.00 0.00 0.00 23.12 24.03 2khs s ALA 109 CO 0.58 -0.68 -0.23 0.21 0.00 0.00 0.00 175.76 175.63 2khs s LYS 110 N -3.88 1.51 -0.01 0.00 2.20 0.14 -4.31 119.74 115.39 2khs s LYS 110 Ca 0.09 -1.54 -0.30 0.00 -0.36 0.00 0.00 55.97 53.86 2khs s LYS 110 Cb 0.02 -1.80 -0.04 0.00 -1.51 0.00 0.00 37.83 34.50 2khs s LYS 110 CO -0.06 0.38 1.11 0.54 -0.36 0.00 0.00 175.35 176.97 2khs s VAL 111 N -1.76 4.43 -0.26 4.02 0.11 -1.26 0.50 120.40 126.18 2khs s VAL 111 Ca 0.21 1.74 -0.13 0.00 -2.93 0.00 0.00 61.98 60.87 2khs s VAL 111 Cb -0.08 -4.12 -0.04 0.00 -1.53 0.00 0.00 36.38 30.61 2khs s VAL 111 CO 0.10 0.08 0.29 0.00 -3.33 0.00 0.00 175.10 172.23 2khs s ALA 112 N 1.52 3.56 0.00 1.54 0.00 -0.56 -4.72 121.76 123.10 2khs s ALA 112 Ca 0.55 -0.90 -0.30 0.00 0.00 0.00 0.00 51.96 51.31 2khs s ALA 112 Cb -0.24 -2.58 -0.04 0.00 0.00 0.00 0.00 23.12 20.27 2khs s ALA 112 CO 0.25 -0.53 1.06 -0.47 0.00 0.00 0.00 175.76 176.06 2khs s TYR 113 N 1.78 3.55 -0.28 0.00 5.04 -1.26 -3.72 117.35 122.46 2khs s TYR 113 Ca 0.12 1.55 -0.11 0.00 -2.44 0.00 0.00 57.07 56.18 2khs s TYR 113 Cb -0.15 -3.23 -0.05 0.00 0.35 0.00 0.00 41.96 38.88 2khs s TYR 113 CO 0.09 -0.47 0.21 0.08 -1.34 0.00 0.00 175.55 174.13 2khs s VAL 114 N 1.23 5.30 -0.07 3.14 1.01 -1.26 -4.99 120.40 124.76 2khs s VAL 114 Ca 0.54 0.21 -0.10 0.00 0.00 0.00 0.00 61.98 62.63 2khs s VAL 114 Cb -0.23 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.55 2khs s VAL 114 CO 0.27 0.24 0.25 -0.31 0.00 0.00 0.00 175.10 175.55 2khs s TYR 115 N 1.79 3.65 -0.30 5.22 1.51 -1.26 -4.92 117.35 123.03 2khs s TYR 115 Ca 0.08 0.71 -0.29 0.00 -1.01 0.00 0.00 57.07 56.56 2khs s TYR 115 Cb -0.16 -2.07 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 2khs s TYR 115 CO 0.11 0.70 1.22 0.21 -1.11 0.00 0.00 175.55 176.67 2khs s LYS 116 N -1.09 3.98 0.00 -0.62 2.20 -1.26 -4.18 119.74 118.77 2khs s LYS 116 Ca 0.19 1.19 0.11 0.00 -0.36 0.00 0.00 55.97 57.11 2khs s LYS 116 Cb -0.14 -3.83 0.34 0.00 -1.51 0.00 0.00 37.83 32.69 2khs s LYS 116 CO 0.08 -1.03 1.27 -0.35 -0.36 0.00 0.00 175.35 174.97 2khs n PRO 117 N 7.14 1.77 0.00 4.03 -0.04 -1.26 -4.87 135.00 141.76 2khs n PRO 117 Ca 0.14 -1.19 0.00 0.00 -0.04 0.00 0.00 63.50 62.40 2khs n PRO 117 Cb 0.47 -1.27 0.00 0.00 -0.04 0.00 0.00 33.50 32.66 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 0.46 0.00 0.00 3.54 2.85 -1.26 -4.14 115.26 116.71 2khs n ASN 118 Ca 0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 2khs n ASN 118 Cb 0.29 -0.05 0.00 0.00 1.24 0.00 0.00 39.78 41.26 2khs n ASN 118 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2khs n ASN 119 N 0.39 0.00 0.06 1.20 4.13 -1.26 -4.46 115.26 115.32 2khs n ASN 119 Ca 0.00 0.00 -0.22 0.00 1.68 0.00 0.00 54.58 56.04 2khs n ASN 119 Cb 0.00 0.00 -0.15 0.00 -1.54 0.00 0.00 39.78 38.09 2khs n ASN 119 CO 0.00 0.00 0.00 0.74 0.28 0.00 0.00 177.26 178.28 2khs h THR 120 N 0.00 1.28 -0.01 3.41 2.02 -2.03 -3.55 112.91 114.04 2khs h THR 120 Ca 0.00 -2.53 0.00 0.00 0.77 0.00 0.00 66.41 64.65 2khs h THR 120 Cb 0.00 3.00 0.00 0.00 -1.74 0.00 0.00 68.15 69.41 2khs h THR 120 CO 0.00 0.75 0.00 1.57 0.37 0.00 0.00 175.52 178.21