#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2khs h THR 2 N 0.00 0.46 -2.96 0.00 2.02 -2.00 -3.42 112.91 107.02 2khs h THR 2 Ca 0.00 -0.15 -0.44 0.00 0.77 0.00 0.00 66.41 66.60 2khs h THR 2 Cb 0.00 1.10 -0.14 0.00 -1.74 0.00 0.00 68.15 67.37 2khs h THR 2 CO 0.00 0.03 -0.67 -0.44 0.37 0.00 0.00 175.52 174.81 2khs s SER 3 N -6.03 2.34 0.24 4.18 0.01 -1.26 -5.05 113.70 108.14 2khs s SER 3 Ca -0.04 -1.19 -0.06 0.00 1.31 0.00 0.00 55.95 55.97 2khs s SER 3 Cb 0.14 -0.09 0.29 0.00 0.21 0.00 0.00 66.02 66.58 2khs s SER 3 CO 0.54 -0.40 1.89 0.74 0.41 0.00 0.00 173.24 176.42 2khs h THR 4 N 2.39 1.15 -2.90 1.44 2.02 -2.08 -3.34 112.91 111.59 2khs h THR 4 Ca -0.39 -0.40 -0.60 0.00 0.77 0.00 0.00 66.41 65.80 2khs h THR 4 Cb 1.23 -0.11 -0.40 0.00 -1.74 0.00 0.00 68.15 67.13 2khs h THR 4 CO 0.66 0.21 -0.77 -0.75 0.37 0.00 0.00 175.52 175.24 2khs s LYS 5 N -6.09 1.00 -0.40 6.66 2.20 -1.26 -4.72 119.74 117.13 2khs s LYS 5 Ca -0.13 -1.68 0.06 0.00 -0.36 0.00 0.00 55.97 53.87 2khs s LYS 5 Cb 0.18 -2.00 0.22 0.00 -1.51 0.00 0.00 37.83 34.71 2khs s LYS 5 CO 0.80 -1.15 0.45 1.17 -0.36 0.00 0.00 175.35 176.27 2khs n LYS 6 N 3.88 0.49 -1.52 4.03 3.00 -1.25 -5.10 118.16 121.69 2khs n LYS 6 Ca 0.08 -3.18 0.00 0.00 -0.00 0.00 0.00 58.31 55.21 2khs n LYS 6 Cb 0.36 -1.41 0.00 0.00 0.00 0.00 0.00 35.03 33.99 2khs n LYS 6 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 2khs n LEU 7 N 2.02 0.00 -4.17 3.14 7.99 -1.26 -4.85 117.00 119.87 2khs n LEU 7 Ca 0.25 0.00 -0.34 0.00 -0.01 0.00 0.00 56.01 55.90 2khs n LEU 7 Cb 0.51 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.68 2khs n LEU 7 CO 0.14 0.00 -0.41 -1.00 -1.51 0.00 0.00 177.39 174.61 2khs s HIS 8 N -0.91 3.11 0.11 -1.77 3.76 -1.26 -5.06 115.29 113.27 2khs s HIS 8 Ca 0.00 -1.71 0.06 0.00 -0.15 0.00 0.00 55.06 53.26 2khs s HIS 8 Cb 0.00 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.61 2khs s HIS 8 CO 0.00 -0.77 -0.03 -1.59 -0.85 0.00 0.00 174.74 171.51 2khs s LYS 9 N 1.28 2.41 0.01 1.40 -2.85 -1.26 -3.26 119.74 117.47 2khs s LYS 9 Ca -0.02 -0.94 0.01 0.00 -1.00 0.00 0.00 55.97 54.02 2khs s LYS 9 Cb -0.17 -2.44 -0.01 0.00 -2.06 0.00 0.00 37.83 33.14 2khs s LYS 9 CO -0.04 0.51 -0.03 -1.83 0.10 0.00 0.00 175.35 174.06 2khs s GLU 10 N -2.42 0.22 0.26 1.78 -1.05 0.67 -4.93 118.70 113.22 2khs s GLU 10 Ca 0.25 -0.29 -0.30 0.00 -0.15 0.00 0.00 54.97 54.48 2khs s GLU 10 Cb -0.11 -0.07 -0.09 0.00 -0.44 0.00 0.00 34.13 33.42 2khs s GLU 10 CO 0.17 0.01 1.13 -2.14 0.95 0.00 0.00 175.26 175.38 2khs s PRO 11 N -0.61 4.60 0.14 -4.83 0.02 -1.26 0.01 135.00 133.07 2khs s PRO 11 Ca -0.05 1.83 0.08 0.00 0.02 0.00 0.00 61.00 62.88 2khs s PRO 11 Cb -0.04 -3.20 -0.04 0.00 0.02 0.00 0.00 34.50 31.24 2khs s PRO 11 CO -0.00 0.13 -0.18 0.00 -0.33 0.00 0.00 177.00 176.61 2khs s ALA 12 N -0.90 1.89 -0.13 -1.55 0.00 0.12 -4.02 121.76 117.18 2khs s ALA 12 Ca 0.46 -1.40 -0.04 0.00 0.00 0.00 0.00 51.96 50.98 2khs s ALA 12 Cb -0.32 -0.18 -0.04 0.00 0.00 0.00 0.00 23.12 22.58 2khs s ALA 12 CO 0.40 0.24 0.03 0.99 0.00 0.00 0.00 175.76 177.43 2khs s THR 13 N -1.86 4.55 0.18 0.00 2.01 0.25 -4.15 115.64 116.63 2khs s THR 13 Ca 0.13 -0.14 -0.30 0.00 0.31 0.00 0.00 61.69 61.69 2khs s THR 13 Cb -0.07 -2.98 -0.08 0.00 0.01 0.00 0.00 72.50 69.39 2khs s THR 13 CO 0.06 0.55 0.93 -0.22 -0.69 0.00 0.00 174.62 175.25 2khs s LEU 14 N -0.35 4.59 -0.18 4.42 2.96 -1.26 0.11 118.68 128.97 2khs s LEU 14 Ca 0.08 1.86 -0.09 0.00 -0.22 0.00 0.00 54.13 55.76 2khs s LEU 14 Cb -0.12 -3.57 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 2khs s LEU 14 CO 0.02 0.08 -0.23 -0.38 -1.32 0.00 0.00 176.35 174.52 2khs n ILE 15 N 2.00 0.99 -3.63 6.68 5.41 0.23 -4.87 119.36 126.16 2khs n ILE 15 Ca -0.01 -0.25 -0.12 0.00 1.00 0.00 0.00 62.75 63.37 2khs n ILE 15 Cb 0.48 -1.73 -0.07 0.00 -0.71 0.00 0.00 39.64 37.61 2khs n ILE 15 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 2khs s LYS 16 N -2.33 0.75 -0.43 0.38 2.20 -0.72 -5.00 119.74 114.59 2khs s LYS 16 Ca -0.25 0.96 -0.13 0.00 -0.36 0.00 0.00 55.97 56.18 2khs s LYS 16 Cb 0.10 0.33 0.05 0.00 -1.51 0.00 0.00 37.83 36.79 2khs s LYS 16 CO 0.32 -0.10 0.31 0.00 -0.36 0.00 0.00 175.35 175.52 2khs s ALA 17 N 0.59 3.44 -0.19 3.13 0.00 -1.26 0.43 121.76 127.90 2khs s ALA 17 Ca -0.01 -1.93 -0.18 0.00 0.00 0.00 0.00 51.96 49.83 2khs s ALA 17 Cb -0.05 -2.86 -0.15 0.00 0.00 0.00 0.00 23.12 20.06 2khs s ALA 17 CO -0.04 -1.58 0.13 0.82 0.00 0.00 0.00 175.76 175.09 2khs h ILE 18 N 5.80 0.70 -3.90 0.00 2.04 -1.58 -3.44 117.51 117.11 2khs h ILE 18 Ca -0.27 -1.87 -0.32 0.00 1.00 0.00 0.00 64.86 63.41 2khs h ILE 18 Cb 1.11 1.66 -0.08 0.00 -0.74 0.00 0.00 36.82 38.77 2khs h ILE 18 CO 0.78 0.24 -0.30 0.47 0.00 0.00 0.00 178.15 179.33 2khs n ASP 19 N -4.49 -0.14 -3.00 1.72 8.00 0.86 -4.81 116.55 114.69 2khs n ASP 19 Ca -0.25 -2.40 -0.35 0.00 0.71 0.00 0.00 54.79 52.50 2khs n ASP 19 Cb 0.56 0.99 -0.02 0.00 -0.02 0.00 0.00 41.12 42.64 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 -0.27 5.00 0.25 0.44 0.00 -1.26 -3.32 105.19 106.04 2khs n GLY 20 Ca 0.03 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.95 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 0.84 -0.25 -4.46 1.61 -0.08 -1.26 -4.92 116.55 108.02 2khs n ASP 21 Ca 0.54 0.26 -0.41 0.00 -1.51 0.00 0.00 54.79 53.67 2khs n ASP 21 Cb 0.38 0.47 -0.11 0.00 2.34 0.00 0.00 41.12 44.20 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 -2.00 4.98 0.32 5.18 2.01 -1.21 -1.77 115.64 123.16 2khs s THR 22 Ca 0.00 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.56 2khs s THR 22 Cb 0.00 -3.65 -0.06 0.00 0.01 0.00 0.00 72.50 68.79 2khs s THR 22 CO 0.00 -0.11 -0.02 0.68 -0.69 0.00 0.00 174.62 174.48 2khs s VAL 23 N 1.65 1.65 -0.22 3.82 -7.23 -1.11 -0.10 120.40 118.87 2khs s VAL 23 Ca 0.05 -2.08 0.02 0.00 -1.81 0.00 0.00 61.98 58.15 2khs s VAL 23 Cb -0.18 -2.66 0.04 0.00 0.56 0.00 0.00 36.38 34.15 2khs s VAL 23 CO 0.09 -0.16 -0.13 -0.75 -0.31 0.00 0.00 175.10 173.84 2khs s LYS 24 N -3.75 2.36 0.09 4.82 2.20 0.17 0.07 119.74 125.70 2khs s LYS 24 Ca 0.33 -1.04 0.02 0.00 -0.36 0.00 0.00 55.97 54.91 2khs s LYS 24 Cb 0.06 -2.65 -0.04 0.00 -1.51 0.00 0.00 37.83 33.69 2khs s LYS 24 CO 0.14 -0.43 -0.06 -0.48 -0.36 0.00 0.00 175.35 174.16 2khs s LEU 25 N 1.25 2.49 -0.24 5.43 0.05 -0.71 -0.60 118.68 126.36 2khs s LEU 25 Ca -0.03 -0.98 0.00 0.00 0.05 0.00 0.00 54.13 53.18 2khs s LEU 25 Cb -0.17 -0.06 0.03 0.00 -2.05 0.00 0.00 46.19 43.95 2khs s LEU 25 CO -0.08 -0.46 -0.11 -0.32 -0.55 0.00 0.00 176.35 174.83 2khs s MET 26 N -3.71 2.72 -0.13 1.48 -2.45 0.12 0.03 119.30 117.36 2khs s MET 26 Ca 0.10 -1.04 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 2khs s MET 26 Cb 0.05 -2.87 0.00 0.00 1.25 0.00 0.00 34.83 33.26 2khs s MET 26 CO -0.05 -0.40 -0.21 1.52 1.05 0.00 0.00 175.02 176.93 2khs s TYR 27 N 1.26 2.66 -1.92 4.11 -0.85 -0.02 0.85 117.35 123.44 2khs s TYR 27 Ca -0.01 -1.18 0.00 0.00 -0.52 0.00 0.00 57.07 55.36 2khs s TYR 27 Cb -0.17 -1.80 0.00 0.00 0.38 0.00 0.00 41.96 40.38 2khs s TYR 27 CO -0.07 -0.52 0.00 1.63 -1.52 0.00 0.00 175.55 175.08 2khs n LYS 28 N 3.89 -1.62 -0.78 -3.49 5.02 -1.26 -0.13 118.16 119.79 2khs n LYS 28 Ca -0.19 1.08 0.00 0.00 -2.02 0.00 0.00 58.31 57.18 2khs n LYS 28 Cb 0.52 -5.67 0.00 0.00 -0.02 0.00 0.00 35.03 29.86 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 -0.84 0.64 3.16 0.72 0.00 -1.26 -5.03 105.19 102.58 2khs n GLY 29 Ca -0.24 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.22 2.20 0.09 1.61 0.74 0.81 -5.08 119.66 119.81 2khs s GLN 30 Ca 0.00 -1.68 -0.28 0.00 0.05 0.00 0.00 55.36 53.45 2khs s GLN 30 Cb 0.00 -3.59 -0.06 0.00 1.10 0.00 0.00 33.01 30.46 2khs s GLN 30 CO 0.00 -1.00 0.90 -2.14 -0.55 0.00 0.00 175.29 172.50 2khs s PRO 31 N 1.22 4.64 0.04 1.67 0.02 -1.26 -0.84 135.00 140.49 2khs s PRO 31 Ca 0.05 1.33 -0.02 0.00 0.02 0.00 0.00 61.00 62.39 2khs s PRO 31 Cb -0.23 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.90 2khs s PRO 31 CO -0.02 0.24 -0.00 -1.64 -0.33 0.00 0.00 177.00 175.25 2khs s MET 32 N -0.05 0.52 -0.28 5.54 -1.94 0.10 -4.95 119.30 118.24 2khs s MET 32 Ca 0.44 -0.95 -0.25 0.00 -1.71 0.00 0.00 55.69 53.23 2khs s MET 32 Cb -0.23 0.19 0.00 0.00 2.01 0.00 0.00 34.83 36.80 2khs s MET 32 CO 0.28 -0.10 0.84 0.99 -0.01 0.00 0.00 175.02 177.01 2khs s THR 33 N -2.95 4.78 0.13 2.05 2.01 -1.26 -1.74 115.64 118.66 2khs s THR 33 Ca -0.02 1.41 0.07 0.00 0.31 0.00 0.00 61.69 63.46 2khs s THR 33 Cb 0.01 -4.17 -0.04 0.00 0.01 0.00 0.00 72.50 68.31 2khs s THR 33 CO -0.06 -0.20 -0.07 0.12 -0.69 0.00 0.00 174.62 173.72 2khs s PHE 34 N 2.99 2.77 -0.10 4.92 5.36 0.11 -0.24 117.98 133.79 2khs s PHE 34 Ca 0.35 -0.15 0.03 0.00 -0.96 0.00 0.00 56.93 56.20 2khs s PHE 34 Cb -0.14 -1.41 -0.01 0.00 -0.34 0.00 0.00 43.02 41.12 2khs s PHE 34 CO 0.11 0.47 -0.20 1.03 -1.46 0.00 0.00 175.22 175.16 2khs s ARG 35 N -2.49 3.03 0.23 10.12 1.81 0.20 -2.73 118.95 129.11 2khs s ARG 35 Ca 0.24 -0.81 -0.29 0.00 -1.72 0.00 0.00 55.73 53.15 2khs s ARG 35 Cb -0.10 -2.39 -0.09 0.00 -0.45 0.00 0.00 34.95 31.92 2khs s ARG 35 CO 0.16 0.26 0.91 -0.51 -0.68 0.00 0.00 175.30 175.43 2khs s LEU 36 N 0.18 4.63 0.22 2.53 1.43 -0.73 -3.01 118.68 123.93 2khs s LEU 36 Ca -0.12 1.89 -0.30 0.00 -1.03 0.00 0.00 54.13 54.57 2khs s LEU 36 Cb -0.16 -3.57 -0.10 0.00 0.03 0.00 0.00 46.19 42.39 2khs s LEU 36 CO 0.06 0.16 1.46 -0.76 0.23 0.00 0.00 176.35 177.50 2khs s LEU 37 N -1.21 4.38 -0.83 1.79 1.43 -0.23 -3.41 118.68 120.61 2khs s LEU 37 Ca 0.40 2.61 -0.01 0.00 -1.03 0.00 0.00 54.13 56.11 2khs s LEU 37 Cb -0.25 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.36 2khs s LEU 37 CO 0.31 -0.71 0.69 0.18 0.23 0.00 0.00 176.35 177.04 2khs n LEU 38 N 2.85 -3.34 -4.11 1.79 4.32 -1.25 -4.86 117.00 112.40 2khs n LEU 38 Ca 0.09 -0.41 -0.30 0.00 -0.02 0.00 0.00 56.01 55.36 2khs n LEU 38 Cb 0.40 -2.28 -0.17 0.00 -1.62 0.00 0.00 43.42 39.76 2khs n LEU 38 CO 0.60 0.28 -0.52 -0.69 -1.22 0.00 0.00 177.39 175.84 2khs s VAL 39 N -3.24 1.77 -0.43 4.08 1.01 -0.73 -2.20 120.40 120.66 2khs s VAL 39 Ca 0.04 -0.80 -0.13 0.00 0.00 0.00 0.00 61.98 61.09 2khs s VAL 39 Cb -0.02 -1.59 0.05 0.00 0.00 0.00 0.00 36.38 34.83 2khs s VAL 39 CO 0.49 0.49 0.31 -0.62 0.00 0.00 0.00 175.10 175.78 2khs s ASP 40 N 0.90 5.95 0.00 3.32 -1.08 0.61 -4.31 116.67 122.07 2khs s ASP 40 Ca -0.07 -1.21 0.00 0.00 -0.52 0.00 0.00 52.55 50.75 2khs s ASP 40 Cb -0.15 -2.11 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 2khs s ASP 40 CO -0.02 -0.53 0.00 0.35 0.52 0.00 0.00 175.17 175.49 2khs n THR 41 N 5.09 0.00 -1.84 1.71 -2.24 -1.26 -3.13 114.28 112.61 2khs n THR 41 Ca -0.12 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.24 2khs n THR 41 Cb 0.45 -0.79 -0.03 0.00 -2.10 0.00 0.00 70.33 67.86 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 -1.95 4.17 0.14 -0.78 0.02 -1.26 -1.17 135.00 134.17 2khs s PRO 42 Ca 0.00 2.46 -0.31 0.00 0.02 0.00 0.00 61.00 63.18 2khs s PRO 42 Cb 0.00 -3.31 -0.08 0.00 0.02 0.00 0.00 34.50 31.12 2khs s PRO 42 CO 0.00 -0.72 1.38 -2.00 -0.33 0.00 0.00 177.00 175.33 2khs s GLU 43 N 1.78 4.33 0.00 5.54 -6.30 -1.26 -4.85 118.70 117.94 2khs s GLU 43 Ca 0.74 2.09 0.09 0.00 -2.50 0.00 0.00 54.97 55.39 2khs s GLU 43 Cb -0.45 -3.23 -0.08 0.00 0.00 0.00 0.00 34.13 30.37 2khs s GLU 43 CO 0.33 -0.40 0.40 0.25 0.02 0.00 0.00 175.26 175.86 2khs n THR 44 N 3.59 0.00 -0.11 -1.70 -2.24 -1.26 -3.85 114.28 108.71 2khs n THR 44 Ca 0.10 -0.31 -0.21 0.00 -2.27 0.00 0.00 64.05 61.37 2khs n THR 44 Cb 0.42 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.57 2khs n THR 44 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2khs n LYS 45 N -1.09 0.55 -3.43 -0.78 4.81 -1.26 -4.82 118.16 112.14 2khs n LYS 45 Ca 0.02 0.49 -0.26 0.00 -0.87 0.00 0.00 58.31 57.69 2khs n LYS 45 Cb 0.14 -1.67 -0.11 0.00 0.02 0.00 0.00 35.03 33.41 2khs n LYS 45 CO 0.00 0.00 0.00 -1.58 1.17 0.00 0.00 177.40 176.99 2khs s HIS 46 N -2.40 0.42 -0.69 5.64 5.04 -1.26 -5.10 115.29 116.94 2khs s HIS 46 Ca -0.29 -1.38 -0.27 0.00 -1.54 0.00 0.00 55.06 51.58 2khs s HIS 46 Cb 0.07 -0.77 0.02 0.00 0.04 0.00 0.00 32.58 31.95 2khs s HIS 46 CO 0.51 -0.87 1.38 -2.14 -2.34 0.00 0.00 174.74 171.28 2khs s PRO 47 N 1.20 3.14 0.03 2.88 0.02 -1.25 -4.61 135.00 136.40 2khs s PRO 47 Ca 0.18 -0.00 0.00 0.00 0.02 0.00 0.00 61.00 61.19 2khs s PRO 47 Cb -0.21 -4.20 0.00 0.00 0.02 0.00 0.00 34.50 30.12 2khs s PRO 47 CO -0.01 -2.19 0.00 1.63 -0.33 0.00 0.00 177.00 176.10 2khs n LYS 48 N 9.21 0.00 0.00 5.54 4.76 -1.26 -4.92 118.16 131.49 2khs n LYS 48 Ca 0.07 0.00 0.03 0.00 -2.87 0.00 0.00 58.31 55.54 2khs n LYS 48 Cb 0.49 -0.03 -0.02 0.00 -1.84 0.00 0.00 35.03 33.63 2khs n LYS 48 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2khs n LYS 49 N -2.63 3.69 0.00 1.97 4.76 -1.26 -5.10 118.16 119.59 2khs n LYS 49 Ca 0.00 -0.23 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 2khs n LYS 49 Cb 0.03 -0.88 0.00 0.00 -1.84 0.00 0.00 35.03 32.34 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 0.96 -1.73 1.36 0.72 0.00 -1.26 -3.88 105.19 101.35 2khs n GLY 50 Ca 0.02 -1.63 -0.02 0.00 0.00 0.00 0.00 46.02 44.39 2khs n GLY 50 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2khs n VAL 51 N 0.00 1.71 -0.31 1.61 0.24 -0.32 -4.62 118.33 116.64 2khs n VAL 51 Ca 0.00 -0.44 0.14 0.00 -2.04 0.00 0.00 64.34 62.00 2khs n VAL 51 Cb 0.00 -1.26 0.30 0.00 -1.47 0.00 0.00 33.84 31.41 2khs n VAL 51 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2khs h GLU 52 N 0.65 0.11 0.00 7.34 4.81 -1.86 0.31 114.58 125.94 2khs h GLU 52 Ca 0.04 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.24 2khs h GLU 52 Cb 1.05 -0.03 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 2khs h GLU 52 CO 0.10 0.07 -0.15 0.87 -0.73 0.00 0.00 179.01 179.17 2khs h LYS 53 N 0.12 0.00 0.00 1.92 1.79 -1.92 -2.35 116.57 116.13 2khs h LYS 53 Ca 0.57 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.04 2khs h LYS 53 Cb 1.19 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.84 2khs h LYS 53 CO -0.75 0.15 -1.31 0.66 -1.08 0.00 0.00 179.45 177.11 2khs n TYR 54 N -3.41 0.00 0.07 -1.35 4.01 0.96 -4.62 117.16 112.82 2khs n TYR 54 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.59 2khs n TYR 54 Cb 0.33 -0.18 -0.08 0.00 -0.31 0.00 0.00 39.34 39.10 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 4.26 -0.94 2.00 2.72 0.00 -0.57 0.41 103.07 110.95 2khs h GLY 55 Ca 0.00 0.58 0.00 0.00 0.00 0.00 0.00 47.33 47.91 2khs h GLY 55 CO 0.00 -0.25 0.00 -1.05 0.00 0.00 0.00 176.54 175.24 2khs n PRO 56 N -5.46 0.10 -0.03 4.80 -0.02 -1.26 -0.28 135.00 132.85 2khs n PRO 56 Ca -0.07 0.47 -0.22 0.00 -2.02 0.00 0.00 63.50 61.67 2khs n PRO 56 Cb 0.39 -1.74 -0.13 0.00 -0.02 0.00 0.00 33.50 31.99 2khs n PRO 56 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 2khs h GLU 57 N 0.00 0.18 -0.41 -0.52 4.81 -1.64 -2.87 114.58 114.13 2khs h GLU 57 Ca 0.00 -0.31 -0.06 0.00 -0.13 0.00 0.00 59.36 58.86 2khs h GLU 57 Cb 0.15 0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.63 2khs h GLU 57 CO 0.00 1.15 0.02 0.00 -0.73 0.00 0.00 179.01 179.45 2khs h ALA 58 N -0.12 0.55 -0.36 2.92 0.00 -0.15 -2.56 119.26 119.53 2khs h ALA 58 Ca -0.40 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.18 2khs h ALA 58 Cb 1.79 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2khs h ALA 58 CO -0.01 0.30 -0.15 0.66 0.00 0.00 0.00 179.25 180.05 2khs h SER 59 N 0.54 0.65 -0.53 0.00 4.64 -0.80 0.86 113.55 118.91 2khs h SER 59 Ca 0.12 -0.20 -0.00 0.00 -0.47 0.00 0.00 61.79 61.24 2khs h SER 59 Cb 0.44 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.33 2khs h SER 59 CO 0.02 0.82 0.32 0.00 -0.87 0.00 0.00 176.83 177.11 2khs h ALA 60 N 1.24 0.67 -0.19 5.18 0.00 -1.38 0.24 119.26 125.03 2khs h ALA 60 Ca 0.10 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 2khs h ALA 60 Cb 0.60 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2khs h ALA 60 CO 0.04 0.15 -0.00 0.35 0.00 0.00 0.00 179.25 179.79 2khs h PHE 61 N 0.71 0.37 -0.10 0.00 3.57 -1.17 -2.94 116.94 117.38 2khs h PHE 61 Ca 0.19 -0.06 0.04 0.00 3.53 0.00 0.00 57.97 61.66 2khs h PHE 61 Cb -0.02 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.59 2khs h PHE 61 CO -0.03 0.54 -0.13 1.15 -2.23 0.00 0.00 178.31 177.61 2khs h THR 62 N 0.09 0.64 -0.18 4.41 2.02 -0.32 0.73 112.91 120.29 2khs h THR 62 Ca 0.05 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.28 2khs h THR 62 Cb 0.39 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 2khs h THR 62 CO 0.01 0.00 -0.16 0.11 0.37 0.00 0.00 175.52 175.85 2khs h LYS 63 N -0.18 -0.17 -0.65 6.66 1.57 -0.56 0.17 116.57 123.41 2khs h LYS 63 Ca 0.08 0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 2khs h LYS 63 Cb 0.29 0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.61 2khs h LYS 63 CO -0.21 -0.11 0.16 0.87 -0.57 0.00 0.00 179.45 179.59 2khs h LYS 64 N -0.18 1.05 -0.09 3.15 1.57 -1.30 -2.17 116.57 118.60 2khs h LYS 64 Ca 0.11 -0.25 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 2khs h LYS 64 Cb 0.35 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.52 2khs h LYS 64 CO -0.29 0.94 -0.15 1.98 -0.57 0.00 0.00 179.45 181.36 2khs h MET 65 N 0.97 0.27 -0.48 3.15 4.05 -0.33 -1.36 114.93 121.19 2khs h MET 65 Ca 0.20 -0.16 -0.10 0.00 -0.28 0.00 0.00 59.70 59.36 2khs h MET 65 Cb 0.37 0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 31.16 2khs h MET 65 CO 0.00 0.74 -0.09 0.28 0.23 0.00 0.00 176.91 178.07 2khs h VAL 66 N -0.17 1.26 0.00 -5.77 2.07 -0.66 0.27 116.25 113.24 2khs h VAL 66 Ca 0.01 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.30 2khs h VAL 66 Cb 0.72 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2khs h VAL 66 CO 0.03 0.41 -0.22 -0.33 0.02 0.00 0.00 177.57 177.48 2khs h GLU 67 N 0.78 0.00 0.00 1.57 5.08 -1.41 -2.86 114.58 117.74 2khs h GLU 67 Ca 0.13 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.39 2khs h GLU 67 Cb 0.60 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 2khs h GLU 67 CO 0.04 0.22 -0.71 -0.97 -1.00 0.00 0.00 179.01 176.59 2khs h ASN 68 N 0.00 0.00 -4.14 1.42 -0.73 -0.63 -3.46 115.58 108.04 2khs h ASN 68 Ca -0.00 0.00 -0.55 0.00 1.87 0.00 0.00 56.30 57.62 2khs h ASN 68 Cb 0.92 0.00 0.16 0.00 0.27 0.00 0.00 38.32 39.67 2khs h ASN 68 CO 0.03 0.44 0.46 0.00 -0.37 0.00 0.00 177.43 177.99 2khs s ALA 69 N -3.00 2.24 -0.05 1.57 0.00 0.03 -4.99 121.76 117.56 2khs s ALA 69 Ca 0.02 1.07 -0.02 0.00 0.00 0.00 0.00 51.96 53.03 2khs s ALA 69 Cb 0.08 -3.52 -0.01 0.00 0.00 0.00 0.00 23.12 19.67 2khs s ALA 69 CO 0.76 -1.74 -0.04 0.87 0.00 0.00 0.00 175.76 175.61 2khs h LYS 70 N 0.15 0.00 -6.10 0.00 1.57 -1.89 -3.48 116.57 106.83 2khs h LYS 70 Ca -0.49 0.00 -0.69 0.00 -1.87 0.00 0.00 60.65 57.60 2khs h LYS 70 Cb 1.32 0.00 -0.29 0.00 0.08 0.00 0.00 32.23 33.34 2khs h LYS 70 CO 0.51 0.00 -0.85 0.15 -0.57 0.00 0.00 179.45 178.69 2khs s LYS 71 N -1.40 2.56 -0.34 3.15 1.02 -1.26 -4.96 119.74 118.51 2khs s LYS 71 Ca -0.03 -0.84 -0.10 0.00 0.02 0.00 0.00 55.97 55.02 2khs s LYS 71 Cb 0.00 -2.24 0.01 0.00 -0.52 0.00 0.00 37.83 35.09 2khs s LYS 71 CO 0.04 0.44 0.17 0.42 -0.92 0.00 0.00 175.35 175.51 2khs s ILE 72 N -0.30 4.52 -0.11 2.17 1.01 -1.26 -0.43 121.20 126.80 2khs s ILE 72 Ca 0.01 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.00 2khs s ILE 72 Cb -0.13 -3.41 -0.02 0.00 0.01 0.00 0.00 42.46 38.91 2khs s ILE 72 CO 0.02 -0.08 -0.11 -1.61 0.00 0.00 0.00 174.94 173.17 2khs s GLU 73 N 1.57 3.16 -0.20 2.79 2.02 0.28 0.15 118.70 128.47 2khs s GLU 73 Ca 0.03 -0.64 -0.04 0.00 0.02 0.00 0.00 54.97 54.34 2khs s GLU 73 Cb -0.18 -2.62 -0.02 0.00 0.10 0.00 0.00 34.13 31.42 2khs s GLU 73 CO 0.06 0.37 -0.04 0.14 0.02 0.00 0.00 175.26 175.81 2khs s VAL 74 N -0.04 3.57 -0.16 2.63 -7.23 0.10 -0.52 120.40 118.75 2khs s VAL 74 Ca -0.02 -0.44 0.02 0.00 -1.81 0.00 0.00 61.98 59.73 2khs s VAL 74 Cb -0.14 -2.60 0.02 0.00 0.56 0.00 0.00 36.38 34.21 2khs s VAL 74 CO 0.04 0.44 -0.21 -0.70 -0.31 0.00 0.00 175.10 174.36 2khs s GLU 75 N 1.15 2.99 0.11 4.82 2.12 0.02 -0.24 118.70 129.67 2khs s GLU 75 Ca 0.02 -0.84 -0.11 0.00 0.36 0.00 0.00 54.97 54.41 2khs s GLU 75 Cb -0.15 -2.50 -0.06 0.00 0.26 0.00 0.00 34.13 31.69 2khs s GLU 75 CO -0.00 -0.12 0.45 -0.59 -0.54 0.00 0.00 175.26 174.46 2khs s PHE 76 N 1.08 3.57 0.46 5.30 -0.71 -1.20 0.56 117.98 127.03 2khs s PHE 76 Ca -0.01 0.85 -0.04 0.00 -1.04 0.00 0.00 56.93 56.69 2khs s PHE 76 Cb -0.14 -2.21 0.10 0.00 -1.21 0.00 0.00 43.02 39.56 2khs s PHE 76 CO -0.08 0.47 0.63 -3.47 -1.34 0.00 0.00 175.22 171.43 2khs n ASP 77 N 0.74 0.45 -0.20 1.98 -0.08 -1.26 -4.24 116.55 113.93 2khs n ASP 77 Ca -0.06 -1.47 0.00 0.00 -1.51 0.00 0.00 54.79 51.75 2khs n ASP 77 Cb 0.52 -0.44 0.00 0.00 2.34 0.00 0.00 41.12 43.54 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 -2.25 0.91 0.00 -0.67 5.02 -1.26 -4.66 118.16 115.25 2khs n LYS 78 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.38 2khs n LYS 78 Cb 0.32 -1.18 0.00 0.00 -0.02 0.00 0.00 35.03 34.15 2khs n LYS 78 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2khs n GLY 79 N 0.26 0.67 3.89 0.72 0.00 -1.26 -5.07 105.19 104.40 2khs n GLY 79 Ca 0.00 -0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.57 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 3.19 3.59 0.07 1.61 -0.21 -1.26 -4.98 119.66 121.67 2khs s GLN 80 Ca 0.00 -0.09 0.24 0.00 0.02 0.00 0.00 55.36 55.53 2khs s GLN 80 Cb 0.00 -3.04 0.31 0.00 1.00 0.00 0.00 33.01 31.28 2khs s GLN 80 CO 0.00 0.62 1.27 -2.13 -2.12 0.00 0.00 175.29 172.93 2khs n ARG 81 N 0.90 0.22 -4.68 2.91 0.63 -1.26 -4.74 116.66 110.64 2khs n ARG 81 Ca -0.09 0.04 -0.23 0.00 -0.92 0.00 0.00 57.85 56.65 2khs n ARG 81 Cb 0.52 -1.62 -0.15 0.00 0.45 0.00 0.00 32.46 31.66 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 -3.14 1.22 0.64 5.15 -4.23 -1.26 -0.13 115.64 113.90 2khs s THR 82 Ca 0.07 -0.72 -0.16 0.00 -1.18 0.00 0.00 61.69 59.70 2khs s THR 82 Cb 0.15 -1.03 -0.01 0.00 1.34 0.00 0.00 72.50 72.94 2khs s THR 82 CO 0.74 0.30 1.12 -0.62 -0.54 0.00 0.00 174.62 175.62 2khs s ASP 83 N -0.48 5.17 0.36 3.99 -1.08 0.22 -4.82 116.67 120.03 2khs s ASP 83 Ca 0.06 2.07 0.26 0.00 -0.52 0.00 0.00 52.55 54.42 2khs s ASP 83 Cb -0.06 -2.56 1.24 0.00 -1.46 0.00 0.00 42.92 40.08 2khs s ASP 83 CO -0.00 -1.59 1.79 0.50 0.52 0.00 0.00 175.17 176.39 2khs h LYS 84 N 0.28 0.00 0.00 4.34 3.64 -2.00 0.51 116.57 123.33 2khs h LYS 84 Ca -0.48 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2khs h LYS 84 Cb 1.25 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.07 2khs h LYS 84 CO 0.54 0.00 0.00 0.98 -2.27 0.00 0.00 179.45 178.70 2khs n TYR 85 N -2.43 0.55 -1.26 1.91 9.36 -1.26 -4.91 117.16 119.12 2khs n TYR 85 Ca 0.00 0.18 0.00 0.00 3.32 0.00 0.00 57.90 61.40 2khs n TYR 85 Cb 0.15 -0.79 0.00 0.00 -0.63 0.00 0.00 39.34 38.07 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 0.88 0.60 3.43 2.98 0.00 0.17 -5.10 105.19 108.14 2khs n GLY 86 Ca 0.05 -0.34 -0.16 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.84 0.86 0.15 1.61 3.52 -1.23 -4.95 118.95 116.07 2khs s ARG 87 Ca 0.00 0.26 -0.30 0.00 -0.13 0.00 0.00 55.73 55.56 2khs s ARG 87 Cb 0.00 0.40 -0.07 0.00 -1.56 0.00 0.00 34.95 33.72 2khs s ARG 87 CO 0.00 -0.23 1.10 0.20 -0.81 0.00 0.00 175.30 175.56 2khs s GLY 88 N -0.87 2.79 -0.31 8.12 0.00 0.67 0.73 107.32 118.45 2khs s GLY 88 Ca -0.09 0.80 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 2khs s GLY 88 CO 0.06 1.71 0.04 1.08 0.00 0.00 0.00 173.10 175.99 2khs s LEU 89 N -0.08 4.01 0.19 0.66 1.43 0.82 0.61 118.68 126.32 2khs s LEU 89 Ca 0.51 -1.15 -0.20 0.00 -1.03 0.00 0.00 54.13 52.26 2khs s LEU 89 Cb -0.29 -1.78 0.04 0.00 0.03 0.00 0.00 46.19 44.19 2khs s LEU 89 CO 0.33 -0.27 0.57 0.00 0.23 0.00 0.00 176.35 177.21 2khs s ALA 90 N 1.34 -1.20 -0.00 4.21 0.00 -1.17 -4.62 121.76 120.32 2khs s ALA 90 Ca -0.03 0.02 -0.11 0.00 0.00 0.00 0.00 51.96 51.84 2khs s ALA 90 Cb -0.19 0.85 -0.05 0.00 0.00 0.00 0.00 23.12 23.72 2khs s ALA 90 CO 0.01 -0.81 0.34 -0.47 0.00 0.00 0.00 175.76 174.83 2khs s TYR 91 N -3.83 3.66 -0.25 0.00 6.14 0.19 -1.07 117.35 122.19 2khs s TYR 91 Ca 0.06 0.82 -0.11 0.00 0.64 0.00 0.00 57.07 58.48 2khs s TYR 91 Cb -0.01 -2.16 -0.05 0.00 0.42 0.00 0.00 41.96 40.15 2khs s TYR 91 CO -0.06 0.63 0.18 0.42 0.64 0.00 0.00 175.55 177.36 2khs s ILE 92 N -1.17 5.34 -0.13 3.14 -1.09 -1.26 -0.80 121.20 125.22 2khs s ILE 92 Ca 0.25 0.21 -0.02 0.00 -2.23 0.00 0.00 60.65 58.86 2khs s ILE 92 Cb -0.15 -3.52 -0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2khs s ILE 92 CO 0.13 0.31 -0.08 -0.31 -1.23 0.00 0.00 174.94 173.77 2khs s TYR 93 N 1.28 2.93 -0.48 3.97 1.51 0.32 -1.72 117.35 125.16 2khs s TYR 93 Ca 0.08 -0.37 -0.11 0.00 -1.01 0.00 0.00 57.07 55.66 2khs s TYR 93 Cb -0.14 -1.88 0.12 0.00 -0.11 0.00 0.00 41.96 39.94 2khs s TYR 93 CO 0.06 -0.05 0.37 0.00 -1.11 0.00 0.00 175.55 174.83 2khs s ALA 94 N 0.19 3.44 -1.23 3.71 0.00 0.15 -0.55 121.76 127.48 2khs s ALA 94 Ca -0.04 -2.51 -0.18 0.00 0.00 0.00 0.00 51.96 49.23 2khs s ALA 94 Cb -0.14 -2.91 0.00 0.00 0.00 0.00 0.00 23.12 20.07 2khs s ALA 94 CO 0.04 -1.91 0.67 -3.47 0.00 0.00 0.00 175.76 171.08 2khs n ASP 95 N 4.98 -3.75 0.00 0.00 2.03 0.43 -1.12 116.55 119.12 2khs n ASP 95 Ca -0.09 -1.07 0.00 0.00 0.52 0.00 0.00 54.79 54.14 2khs n ASP 95 Cb 0.41 -2.95 0.00 0.00 -0.72 0.00 0.00 41.12 37.86 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 -1.85 1.75 3.54 0.27 0.00 -1.26 -4.98 105.19 102.66 2khs n GLY 96 Ca -0.15 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.07 3.83 -0.19 1.61 1.02 -0.28 -5.04 119.74 120.62 2khs s LYS 97 Ca 0.00 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 2khs s LYS 97 Cb 0.00 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.95 2khs s LYS 97 CO 0.00 0.01 1.99 -1.64 -0.92 0.00 0.00 175.35 174.79 2khs s MET 98 N 1.10 3.48 0.00 1.68 -1.94 -1.26 0.35 119.30 122.71 2khs s MET 98 Ca 0.05 1.97 -0.21 0.00 -1.71 0.00 0.00 55.69 55.78 2khs s MET 98 Cb -0.14 -4.24 -0.19 0.00 2.01 0.00 0.00 34.83 32.26 2khs s MET 98 CO 0.03 -1.70 1.18 0.28 -0.01 0.00 0.00 175.02 174.81 2khs h VAL 99 N 6.62 1.43 -0.55 -6.03 2.07 -1.69 -2.98 116.25 115.12 2khs h VAL 99 Ca -0.40 -1.70 -0.05 0.00 0.82 0.00 0.00 66.70 65.36 2khs h VAL 99 Cb 1.21 2.33 -0.03 0.00 -1.52 0.00 0.00 31.29 33.29 2khs h VAL 99 CO 0.98 0.49 0.12 -1.13 0.02 0.00 0.00 177.57 178.05 2khs h ASN 100 N -0.19 0.80 -0.70 0.57 -1.24 -1.91 -1.24 115.58 111.67 2khs h ASN 100 Ca -0.02 -0.15 0.09 0.00 0.71 0.00 0.00 56.30 56.93 2khs h ASN 100 Cb 0.94 -0.21 -0.07 0.00 0.73 0.00 0.00 38.32 39.71 2khs h ASN 100 CO 0.06 0.79 0.35 -0.08 -1.29 0.00 0.00 177.43 177.26 2khs h GLU 101 N 0.82 0.58 -0.44 6.67 4.81 -1.92 0.54 114.58 125.64 2khs h GLU 101 Ca 0.18 -0.04 -0.03 0.00 -0.13 0.00 0.00 59.36 59.34 2khs h GLU 101 Cb 0.31 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.54 2khs h GLU 101 CO 0.00 0.39 0.14 0.00 -0.73 0.00 0.00 179.01 178.81 2khs h ALA 102 N 1.42 0.58 0.11 2.92 0.00 -1.10 0.56 119.26 123.73 2khs h ALA 102 Ca 0.34 -0.17 0.01 0.00 0.00 0.00 0.00 54.91 55.09 2khs h ALA 102 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2khs h ALA 102 CO -0.26 0.22 -0.13 -0.07 0.00 0.00 0.00 179.25 179.01 2khs h LEU 103 N 0.57 -0.35 -0.44 0.00 3.38 -0.32 -2.25 115.31 115.90 2khs h LEU 103 Ca 0.14 0.04 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 2khs h LEU 103 Cb 0.25 0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.13 2khs h LEU 103 CO -0.01 -0.20 -0.50 -0.37 0.09 0.00 0.00 178.44 177.45 2khs h VAL 104 N -0.27 1.29 0.00 1.22 -1.51 -0.84 -1.39 116.25 114.75 2khs h VAL 104 Ca 0.01 -1.71 0.00 0.00 -1.23 0.00 0.00 66.70 63.77 2khs h VAL 104 Cb 0.27 1.63 0.00 0.00 -2.13 0.00 0.00 31.29 31.06 2khs h VAL 104 CO -0.05 0.55 0.00 0.03 -1.23 0.00 0.00 177.57 176.86 2khs h ARG 105 N 0.57 0.00 -0.01 5.19 3.08 -0.80 0.14 114.38 122.55 2khs h ARG 105 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2khs h ARG 105 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.12 2khs h ARG 105 CO 0.11 0.00 -0.38 1.04 -1.07 0.00 0.00 179.97 179.66 2khs n GLN 106 N -2.49 0.84 -1.63 0.04 1.13 -0.85 -4.96 117.38 109.46 2khs n GLN 106 Ca -0.00 -0.58 -0.05 0.00 -1.94 0.00 0.00 57.00 54.43 2khs n GLN 106 Cb 0.15 -1.49 -0.01 0.00 0.11 0.00 0.00 30.24 29.00 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 1.38 0.46 0.08 1.08 0.00 0.51 -4.92 105.19 103.77 2khs n GLY 107 Ca 0.10 -0.76 0.12 0.00 0.00 0.00 0.00 46.02 45.48 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 -8.10 0.99 3.38 -1.45 -3.48 115.31 106.65 2khs h LEU 108 Ca -0.11 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2khs h LEU 108 Cb 0.71 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 2khs h LEU 108 CO 0.14 0.09 0.14 0.00 0.09 0.00 0.00 178.44 178.90 2khs s ALA 109 N -3.21 -0.65 0.42 1.53 0.00 -1.25 -4.80 121.76 113.80 2khs s ALA 109 Ca 0.05 -0.71 0.06 0.00 0.00 0.00 0.00 51.96 51.36 2khs s ALA 109 Cb 0.12 0.86 -0.07 0.00 0.00 0.00 0.00 23.12 24.03 2khs s ALA 109 CO 0.74 -0.96 0.03 0.15 0.00 0.00 0.00 175.76 175.72 2khs s LYS 110 N -3.23 2.02 -0.38 0.00 1.02 -1.19 -4.48 119.74 113.50 2khs s LYS 110 Ca 0.17 -2.11 -0.08 0.00 0.02 0.00 0.00 55.97 53.97 2khs s LYS 110 Cb -0.04 -1.67 0.06 0.00 -0.52 0.00 0.00 37.83 35.66 2khs s LYS 110 CO 0.11 -0.10 0.18 0.14 -0.92 0.00 0.00 175.35 174.76 2khs s VAL 111 N -2.72 4.02 -0.08 3.17 -7.23 -1.26 -0.28 120.40 116.03 2khs s VAL 111 Ca 0.32 -1.27 -0.03 0.00 -1.81 0.00 0.00 61.98 59.20 2khs s VAL 111 Cb 0.08 -3.38 0.04 0.00 0.56 0.00 0.00 36.38 33.69 2khs s VAL 111 CO 0.17 -0.35 0.10 0.00 -0.31 0.00 0.00 175.10 174.71 2khs s ALA 112 N 1.41 0.11 -0.36 1.32 0.00 -0.93 -4.80 121.76 118.51 2khs s ALA 112 Ca 0.01 0.24 0.03 0.00 0.00 0.00 0.00 51.96 52.24 2khs s ALA 112 Cb -0.21 -0.78 0.11 0.00 0.00 0.00 0.00 23.12 22.24 2khs s ALA 112 CO 0.03 -0.65 0.10 -0.47 0.00 0.00 0.00 175.76 174.77 2khs s TYR 113 N 2.21 3.17 -0.13 0.00 5.04 -1.26 -1.77 117.35 124.60 2khs s TYR 113 Ca 0.04 -2.74 -0.01 0.00 -2.44 0.00 0.00 57.07 51.91 2khs s TYR 113 Cb -0.13 -2.61 0.04 0.00 0.35 0.00 0.00 41.96 39.61 2khs s TYR 113 CO -0.05 -0.90 -0.01 0.08 -1.34 0.00 0.00 175.55 173.33 2khs s VAL 114 N 0.84 0.65 0.00 3.14 1.01 -1.26 -4.87 120.40 119.91 2khs s VAL 114 Ca 0.12 -0.27 0.00 0.00 0.00 0.00 0.00 61.98 61.83 2khs s VAL 114 Cb -0.20 -0.89 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2khs s VAL 114 CO -0.10 0.11 0.00 -1.22 0.00 0.00 0.00 175.10 173.90 2khs n TYR 115 N 5.04 0.00 -1.07 5.22 4.01 -1.26 -5.11 117.16 123.98 2khs n TYR 115 Ca -0.09 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.78 2khs n TYR 115 Cb 0.49 0.00 -0.07 0.00 -0.31 0.00 0.00 39.34 39.45 2khs n TYR 115 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 2khs n LYS 116 N -0.23 -2.46 0.00 -0.72 4.01 -1.26 -3.97 118.16 113.53 2khs n LYS 116 Ca 0.00 1.99 0.00 0.00 -0.51 0.00 0.00 58.31 59.79 2khs n LYS 116 Cb 0.00 -2.89 0.00 0.00 -0.51 0.00 0.00 35.03 31.63 2khs n LYS 116 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 2khs n PRO 117 N -3.76 0.00 -3.53 1.97 -0.04 -1.26 -4.76 135.00 123.62 2khs n PRO 117 Ca -0.06 0.17 -0.29 0.00 -0.04 0.00 0.00 63.50 63.27 2khs n PRO 117 Cb 0.51 -0.91 -0.12 0.00 -0.04 0.00 0.00 33.50 32.94 2khs n PRO 117 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2khs s ASN 118 N -1.83 2.99 0.00 3.54 2.47 -1.26 -4.79 114.94 116.06 2khs s ASN 118 Ca 0.00 -2.47 0.00 0.00 0.42 0.00 0.00 52.86 50.81 2khs s ASN 118 Cb 0.00 -0.61 0.00 0.00 -1.45 0.00 0.00 41.25 39.19 2khs s ASN 118 CO 0.00 -0.27 0.00 -3.20 -3.72 0.00 0.00 177.10 169.91 2khs n ASN 119 N 3.69 0.00 0.00 -4.21 2.85 -1.26 -5.06 115.26 111.28 2khs n ASN 119 Ca 0.14 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.61 2khs n ASN 119 Cb 0.38 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.40 2khs n ASN 119 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 2khs n THR 120 N -0.27 0.00 -1.48 -0.44 -1.04 -1.25 -5.08 114.28 104.71 2khs n THR 120 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2khs n THR 120 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2khs n THR 120 CO 0.00 0.00 0.00 1.57 -0.64 0.00 0.00 175.07 176.00