#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knj n PHE 6 N 0.00 0.76 0.00 2.11 3.01 -1.26 -5.00 117.46 117.08 3knj n PHE 6 Ca 0.00 0.38 0.00 0.00 1.01 0.00 0.00 57.45 58.84 3knj n PHE 6 Cb 0.00 -2.03 0.00 0.00 -0.01 0.00 0.00 39.48 37.44 3knj n PHE 6 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 3knj n GLU 7 N -3.29 0.00 -1.08 -1.08 4.07 -0.79 -4.95 120.64 113.53 3knj n GLU 7 Ca 0.12 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.22 3knj n GLU 7 Cb 0.51 -0.46 0.00 0.00 -0.06 0.00 0.00 31.44 31.44 3knj n GLU 7 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 3knj n GLU 8 N 0.00 0.00 -4.38 5.31 2.13 -1.26 -4.92 120.64 117.51 3knj n GLU 8 Ca 0.00 0.36 -0.34 0.00 0.66 0.00 0.00 57.16 57.85 3knj n GLU 8 Cb 0.00 -0.71 -0.14 0.00 0.27 0.00 0.00 31.44 30.85 3knj n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3knj s LYS 9 N -0.76 3.35 0.29 5.31 2.20 -1.19 -4.98 119.74 123.96 3knj s LYS 9 Ca 0.00 -0.67 -0.19 0.00 -0.36 0.00 0.00 55.97 54.75 3knj s LYS 9 Cb 0.00 -2.77 -0.09 0.00 -1.51 0.00 0.00 37.83 33.46 3knj s LYS 9 CO 0.00 0.02 0.77 1.41 -0.36 0.00 0.00 175.35 177.19 3knj s MET 10 N 0.86 4.19 0.00 4.03 -2.45 -1.26 -2.24 119.30 122.42 3knj s MET 10 Ca -0.03 0.87 0.00 0.00 -1.25 0.00 0.00 55.69 55.28 3knj s MET 10 Cb -0.15 -2.64 0.00 0.00 1.25 0.00 0.00 34.83 33.29 3knj s MET 10 CO 0.00 0.25 0.00 -0.89 1.05 0.00 0.00 175.02 175.44 3knj n ILE 11 N 0.18 0.00 -0.02 10.11 5.41 0.13 -4.94 119.36 130.22 3knj n ILE 11 Ca 0.01 0.00 -0.01 0.00 1.00 0.00 0.00 62.75 63.75 3knj n ILE 11 Cb 0.52 -0.10 -0.00 0.00 -0.71 0.00 0.00 39.64 39.35 3knj n ILE 11 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44 3knj n LEU 12 N 0.00 -0.01 -3.70 1.39 -0.00 -1.25 -4.06 117.00 109.37 3knj n LEU 12 Ca 0.00 0.02 -0.19 0.00 -0.00 0.00 0.00 56.01 55.84 3knj n LEU 12 Cb 0.00 -0.02 -0.18 0.00 -0.00 0.00 0.00 43.42 43.23 3knj n LEU 12 CO 0.00 -0.04 -0.35 -0.63 -0.00 0.00 0.00 177.39 176.38 3knj s ILE 13 N -0.00 -0.06 0.21 1.96 1.01 -1.25 -1.59 121.20 121.47 3knj s ILE 13 Ca 0.01 0.36 0.10 0.00 0.00 0.00 0.00 60.65 61.13 3knj s ILE 13 Cb -0.02 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.24 3knj s ILE 13 CO 0.01 0.17 -0.17 0.00 0.00 0.00 0.00 174.94 174.95 3knj s ARG 14 N 1.91 1.78 -0.54 2.79 1.70 -1.04 -4.93 118.95 120.62 3knj s ARG 14 Ca 0.02 -1.46 -0.02 0.00 -0.47 0.00 0.00 55.73 53.80 3knj s ARG 14 Cb -0.12 -1.97 0.14 0.00 -0.57 0.00 0.00 34.95 32.43 3knj s ARG 14 CO -0.03 0.40 0.34 0.50 -1.08 0.00 0.00 175.30 175.43 3knj s ARG 15 N -2.92 2.30 0.00 3.89 3.52 -1.26 -1.61 118.95 122.87 3knj s ARG 15 Ca 0.24 -2.34 0.00 0.00 -0.13 0.00 0.00 55.73 53.51 3knj s ARG 15 Cb -0.08 -3.62 0.00 0.00 -1.56 0.00 0.00 34.95 29.69 3knj s ARG 15 CO 0.13 -1.13 0.00 0.25 -0.81 0.00 0.00 175.30 173.74 3knj n THR 16 N 3.75 0.00 -3.61 4.11 -2.24 -1.07 -4.95 114.28 110.27 3knj n THR 16 Ca 0.05 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.81 3knj n THR 16 Cb 0.38 0.00 -0.01 0.00 -2.10 0.00 0.00 70.33 68.60 3knj n THR 16 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3knj s ALA 17 N -3.24 -2.19 0.27 6.98 0.00 -1.26 -4.45 121.76 117.88 3knj s ALA 17 Ca 0.00 1.27 -0.13 0.00 0.00 0.00 0.00 51.96 53.11 3knj s ALA 17 Cb 0.00 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.16 3knj s ALA 17 CO 0.00 -0.79 0.52 -0.98 0.00 0.00 0.00 175.76 174.52 3knj s ARG 18 N -2.33 1.66 0.04 0.00 1.70 -1.00 -4.96 118.95 114.06 3knj s ARG 18 Ca 0.12 -1.29 0.05 0.00 -0.47 0.00 0.00 55.73 54.14 3knj s ARG 18 Cb 0.02 0.49 -0.02 0.00 -0.57 0.00 0.00 34.95 34.87 3knj s ARG 18 CO -0.04 -0.71 -0.14 -1.64 -1.08 0.00 0.00 175.30 171.69 3knj s MET 19 N -3.79 0.94 -0.21 3.89 -1.94 -1.26 -2.99 119.30 113.95 3knj s MET 19 Ca 0.22 -0.79 -0.27 0.00 -1.71 0.00 0.00 55.69 53.14 3knj s MET 19 Cb -0.02 -0.95 0.08 0.00 2.01 0.00 0.00 34.83 35.95 3knj s MET 19 CO 0.10 0.23 0.76 -1.14 -0.01 0.00 0.00 175.02 174.96 3knj s GLN 20 N -1.21 0.85 0.00 2.03 -0.44 -0.67 -5.01 119.66 115.21 3knj s GLN 20 Ca 0.01 0.70 0.00 0.00 -2.50 0.00 0.00 55.36 53.58 3knj s GLN 20 Cb -0.08 0.41 0.00 0.00 -1.64 0.00 0.00 33.01 31.70 3knj s GLN 20 CO 0.01 -0.16 0.00 0.00 0.50 0.00 0.00 175.29 175.64 3knj n ALA 21 N 2.04 -0.41 -3.13 1.58 0.00 -1.26 -1.24 120.51 118.09 3knj n ALA 21 Ca -0.15 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 3knj n ALA 21 Cb 0.56 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.97 3knj n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knj n GLY 22 N 0.00 -0.17 0.00 0.00 0.00 -1.26 -4.76 105.19 99.00 3knj n GLY 22 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3knj n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knj n GLY 23 N -1.02 2.21 3.31 -0.02 0.00 -0.38 -5.14 105.19 104.15 3knj n GLY 23 Ca 0.01 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.77 3knj n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knj s ARG 24 N -2.00 1.71 0.07 1.61 1.70 -1.26 -1.67 118.95 119.11 3knj s ARG 24 Ca 0.00 -1.02 0.06 0.00 -0.47 0.00 0.00 55.73 54.30 3knj s ARG 24 Cb 0.00 -1.83 -0.03 0.00 -0.57 0.00 0.00 34.95 32.52 3knj s ARG 24 CO 0.00 0.48 -0.18 1.03 -1.08 0.00 0.00 175.30 175.55 3knj s ARG 25 N -1.10 1.05 0.44 3.89 0.52 -1.16 -5.01 118.95 117.58 3knj s ARG 25 Ca 0.10 -0.97 0.07 0.00 -0.52 0.00 0.00 55.73 54.41 3knj s ARG 25 Cb -0.10 -1.16 -0.02 0.00 0.52 0.00 0.00 34.95 34.19 3knj s ARG 25 CO 0.01 0.28 0.33 -0.06 0.02 0.00 0.00 175.30 175.88 3knj s PHE 26 N -1.04 2.46 0.33 -0.53 0.40 -1.26 -2.37 117.98 115.97 3knj s PHE 26 Ca 0.03 -0.59 -0.07 0.00 -0.60 0.00 0.00 56.93 55.70 3knj s PHE 26 Cb -0.09 -2.07 0.01 0.00 0.51 0.00 0.00 43.02 41.38 3knj s PHE 26 CO 0.03 -0.11 0.54 0.50 0.70 0.00 0.00 175.22 176.87 3knj s ARG 27 N -4.10 1.90 0.09 0.44 3.52 -1.26 -4.88 118.95 114.66 3knj s ARG 27 Ca 0.44 -1.59 -0.00 0.00 -0.13 0.00 0.00 55.73 54.44 3knj s ARG 27 Cb -0.01 0.49 -0.04 0.00 -1.56 0.00 0.00 34.95 33.82 3knj s ARG 27 CO 0.25 -0.81 -0.01 -0.06 -0.81 0.00 0.00 175.30 173.86 3knj s PHE 28 N -3.10 0.74 -0.06 5.12 0.40 0.25 -2.61 117.98 118.71 3knj s PHE 28 Ca 0.26 -1.09 0.05 0.00 -0.60 0.00 0.00 56.93 55.55 3knj s PHE 28 Cb -0.01 -0.46 -0.01 0.00 0.51 0.00 0.00 43.02 43.05 3knj s PHE 28 CO 0.16 -0.37 -0.23 0.20 0.70 0.00 0.00 175.22 175.68 3knj s GLY 29 N -3.00 1.23 -0.42 4.36 0.00 -0.63 -2.74 107.32 106.12 3knj s GLY 29 Ca 0.14 -0.96 0.05 0.00 0.00 0.00 0.00 44.72 43.96 3knj s GLY 29 CO -0.05 -0.52 0.45 0.00 0.00 0.00 0.00 173.10 172.98 3knj n ALA 30 N 3.10 2.12 -2.36 3.20 0.00 -0.84 -2.48 120.51 123.25 3knj n ALA 30 Ca -0.18 -2.91 -0.43 0.00 0.00 0.00 0.00 53.44 49.92 3knj n ALA 30 Cb 0.52 -0.86 -0.02 0.00 0.00 0.00 0.00 19.45 19.09 3knj n ALA 30 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3knj s LEU 31 N -0.22 4.24 0.02 0.00 1.98 -0.62 -2.92 118.68 121.17 3knj s LEU 31 Ca 0.33 1.84 0.01 0.00 -2.89 0.00 0.00 54.13 53.43 3knj s LEU 31 Cb 0.08 -3.55 -0.02 0.00 0.66 0.00 0.00 46.19 43.37 3knj s LEU 31 CO -0.16 -0.72 -0.05 -0.69 -1.89 0.00 0.00 176.35 172.83 3knj s VAL 32 N 3.04 0.37 0.37 1.68 1.01 -0.94 0.21 120.40 126.14 3knj s VAL 32 Ca 0.58 -0.74 0.07 0.00 0.00 0.00 0.00 61.98 61.90 3knj s VAL 32 Cb -0.25 -0.42 -0.02 0.00 0.00 0.00 0.00 36.38 35.70 3knj s VAL 32 CO 0.20 -0.25 0.40 -0.69 0.00 0.00 0.00 175.10 174.76 3knj s VAL 33 N -0.97 3.35 -0.09 2.92 1.01 -0.95 -2.32 120.40 123.34 3knj s VAL 33 Ca -0.07 -1.22 -0.03 0.00 0.00 0.00 0.00 61.98 60.66 3knj s VAL 33 Cb -0.07 -3.16 0.05 0.00 0.00 0.00 0.00 36.38 33.20 3knj s VAL 33 CO -0.00 -0.10 0.16 -0.69 0.00 0.00 0.00 175.10 174.47 3knj s VAL 34 N -2.32 -0.25 0.03 2.92 1.01 0.56 -3.14 120.40 119.20 3knj s VAL 34 Ca 0.46 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.66 3knj s VAL 34 Cb -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 36.00 3knj s VAL 34 CO 0.29 0.12 0.20 -0.83 0.00 0.00 0.00 175.10 174.88 3knj s GLY 35 N 2.29 0.01 -0.27 4.51 0.00 -1.26 -0.85 107.32 111.74 3knj s GLY 35 Ca 0.03 -0.20 0.09 0.00 0.00 0.00 0.00 44.72 44.64 3knj s GLY 35 CO -0.06 -0.38 1.37 2.09 0.00 0.00 0.00 173.10 176.12 3knj n ASP 36 N 0.81 2.46 -2.96 1.64 3.85 -1.14 -1.88 116.55 119.34 3knj n ASP 36 Ca -0.19 -3.84 -0.18 0.00 -0.71 0.00 0.00 54.79 49.87 3knj n ASP 36 Cb 0.58 -0.59 -0.03 0.00 -1.35 0.00 0.00 41.12 39.73 3knj n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3knj n ARG 37 N -1.09 -1.53 -0.25 0.11 1.74 0.34 -4.64 116.66 111.33 3knj n ARG 37 Ca 0.30 0.06 0.00 0.00 -0.77 0.00 0.00 57.85 57.43 3knj n ARG 37 Cb 0.90 -3.40 0.00 0.00 -1.02 0.00 0.00 32.46 28.94 3knj n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3knj n GLN 38 N -2.55 0.00 0.00 5.56 1.13 -1.26 -4.51 117.38 115.74 3knj n GLN 38 Ca 0.05 -0.73 0.00 0.00 -1.94 0.00 0.00 57.00 54.38 3knj n GLN 38 Cb 0.35 -0.48 0.00 0.00 0.11 0.00 0.00 30.24 30.22 3knj n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3knj n GLY 39 N 0.00 1.09 2.99 1.08 0.00 -1.13 -4.97 105.19 104.25 3knj n GLY 39 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 3knj n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knj s ARG 40 N -0.64 2.06 -0.02 1.61 0.52 -1.26 -0.77 118.95 120.45 3knj s ARG 40 Ca 0.00 -0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 54.47 3knj s ARG 40 Cb 0.00 -2.22 0.01 0.00 0.52 0.00 0.00 34.95 33.26 3knj s ARG 40 CO 0.00 -0.34 0.14 0.14 0.02 0.00 0.00 175.30 175.25 3knj s VAL 41 N 1.47 0.06 0.14 3.52 -7.23 -1.22 -2.87 120.40 114.27 3knj s VAL 41 Ca 0.02 -0.47 -0.04 0.00 -1.81 0.00 0.00 61.98 59.68 3knj s VAL 41 Cb -0.15 -0.36 -0.03 0.00 0.56 0.00 0.00 36.38 36.41 3knj s VAL 41 CO -0.09 -0.26 0.15 -0.83 -0.31 0.00 0.00 175.10 173.76 3knj s GLY 42 N -0.89 0.76 -0.13 2.32 0.00 -0.03 -1.58 107.32 107.76 3knj s GLY 42 Ca -0.10 -1.22 -0.10 0.00 0.00 0.00 0.00 44.72 43.30 3knj s GLY 42 CO 0.01 -1.14 0.35 -2.27 0.00 0.00 0.00 173.10 170.04 3knj s LEU 43 N -3.01 0.48 0.01 0.66 2.96 -1.22 -0.32 118.68 118.23 3knj s LEU 43 Ca 0.21 0.71 -0.03 0.00 -0.22 0.00 0.00 54.13 54.81 3knj s LEU 43 Cb 0.06 1.16 -0.01 0.00 0.50 0.00 0.00 46.19 47.90 3knj s LEU 43 CO 0.01 -0.14 0.04 -0.83 -1.32 0.00 0.00 176.35 174.10 3knj s GLY 44 N 0.59 0.12 -0.22 7.98 0.00 -0.98 -4.63 107.32 110.18 3knj s GLY 44 Ca -0.03 -0.29 -0.10 0.00 0.00 0.00 0.00 44.72 44.30 3knj s GLY 44 CO -0.04 -0.36 0.15 -0.12 0.00 0.00 0.00 173.10 172.73 3knj s PHE 45 N -1.09 3.36 -0.35 1.90 2.19 -1.26 -2.21 117.98 120.51 3knj s PHE 45 Ca -0.12 0.28 -0.07 0.00 0.33 0.00 0.00 56.93 57.35 3knj s PHE 45 Cb -0.07 -2.23 0.05 0.00 -1.31 0.00 0.00 43.02 39.46 3knj s PHE 45 CO -0.00 0.16 0.14 0.20 1.83 0.00 0.00 175.22 177.55 3knj s GLY 46 N 0.75 1.87 -0.11 13.12 0.00 -1.15 -4.66 107.32 117.14 3knj s GLY 46 Ca 0.08 -1.83 -0.05 0.00 0.00 0.00 0.00 44.72 42.92 3knj s GLY 46 CO 0.02 0.81 0.06 0.54 0.00 0.00 0.00 173.10 174.54 3knj s LYS 47 N 1.41 3.32 0.00 2.90 3.01 -1.25 -1.98 119.74 127.15 3knj s LYS 47 Ca -0.00 -0.29 0.00 0.00 -1.01 0.00 0.00 55.97 54.66 3knj s LYS 47 Cb -0.20 -3.01 0.00 0.00 -1.01 0.00 0.00 37.83 33.61 3knj s LYS 47 CO 0.03 0.66 0.00 0.00 0.51 0.00 0.00 175.35 176.55 3knj n ALA 48 N 2.31 0.00 -0.22 5.17 0.00 -1.11 -4.93 120.51 121.74 3knj n ALA 48 Ca -0.19 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.23 3knj n ALA 48 Cb 0.54 0.00 0.17 0.00 0.00 0.00 0.00 19.45 20.16 3knj n ALA 48 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3knj h PRO 49 N 0.00 1.01 -4.83 0.00 0.11 -1.91 0.73 132.00 127.11 3knj h PRO 49 Ca 0.00 -0.13 -0.40 0.00 0.11 0.00 0.00 66.00 65.57 3knj h PRO 49 Cb 0.00 -0.19 -0.14 0.00 0.11 0.00 0.00 31.00 30.78 3knj h PRO 49 CO 0.00 0.78 -0.54 -2.00 -0.21 0.00 0.00 178.00 176.02 3knj s GLU 50 N -5.59 1.58 0.19 1.05 2.56 -1.26 -4.75 118.70 112.48 3knj s GLU 50 Ca -0.11 -1.90 -0.08 0.00 0.00 0.00 0.00 54.97 52.88 3knj s GLU 50 Cb 0.17 0.13 0.09 0.00 2.00 0.00 0.00 34.13 36.52 3knj s GLU 50 CO 0.80 -0.52 1.61 0.28 -0.56 0.00 0.00 175.26 176.88 3knj h VAL 51 N 2.26 1.27 0.11 3.70 2.07 -1.98 0.37 116.25 124.04 3knj h VAL 51 Ca -0.31 -1.27 -0.18 0.00 0.82 0.00 0.00 66.70 65.76 3knj h VAL 51 Cb 1.24 1.01 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 3knj h VAL 51 CO 0.46 0.44 -0.79 -0.65 0.02 0.00 0.00 177.57 177.06 3knj h PRO 52 N 0.86 0.34 -0.13 1.57 0.11 -1.99 -2.63 132.00 130.14 3knj h PRO 52 Ca 0.13 -0.51 0.03 0.00 0.11 0.00 0.00 66.00 65.76 3knj h PRO 52 Cb 0.68 0.18 -0.04 0.00 0.11 0.00 0.00 31.00 31.93 3knj h PRO 52 CO 0.05 1.22 -0.09 -0.07 -0.21 0.00 0.00 178.00 178.89 3knj h LEU 53 N -0.27 -0.29 -0.39 2.35 4.07 -1.99 0.60 115.31 119.40 3knj h LEU 53 Ca -0.13 0.06 0.08 0.00 0.08 0.00 0.00 57.88 57.98 3knj h LEU 53 Cb 1.58 0.15 -0.09 0.00 1.08 0.00 0.00 40.66 43.38 3knj h LEU 53 CO 0.15 -0.12 -0.24 0.00 -1.08 0.00 0.00 178.44 177.15 3knj h ALA 54 N 1.00 0.01 0.29 1.53 0.00 -0.32 0.18 119.26 121.95 3knj h ALA 54 Ca 0.08 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3knj h ALA 54 Cb 0.21 0.54 0.00 0.00 0.00 0.00 0.00 17.79 18.55 3knj h ALA 54 CO -0.19 -0.61 -0.14 0.28 0.00 0.00 0.00 179.25 178.59 3knj h VAL 55 N -0.17 0.75 -0.48 0.00 2.07 -0.96 -1.57 116.25 115.89 3knj h VAL 55 Ca 0.19 -0.35 0.05 0.00 0.82 0.00 0.00 66.70 67.40 3knj h VAL 55 Cb 0.47 0.94 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 3knj h VAL 55 CO -0.49 0.07 -0.35 -0.61 0.02 0.00 0.00 177.57 176.22 3knj h GLN 56 N -0.58 -0.08 -0.76 1.57 -0.00 0.88 0.20 115.11 116.34 3knj h GLN 56 Ca -0.04 0.01 0.13 0.00 -0.00 0.00 0.00 58.65 58.74 3knj h GLN 56 Cb 0.42 0.02 -0.13 0.00 0.00 0.00 0.00 27.48 27.79 3knj h GLN 56 CO 0.07 -0.05 -0.34 -0.22 0.00 0.00 0.00 178.83 178.29 3knj h LYS 57 N -0.08 -0.08 -0.47 1.69 3.64 -0.63 0.22 116.57 120.85 3knj h LYS 57 Ca 0.08 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.51 3knj h LYS 57 Cb 0.28 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 3knj h LYS 57 CO -0.49 -0.06 -0.39 0.00 -2.27 0.00 0.00 179.45 176.24 3knj h ALA 58 N 1.23 -0.51 -0.46 5.00 0.00 0.40 -0.01 119.26 124.91 3knj h ALA 58 Ca 0.29 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.29 3knj h ALA 58 Cb 0.57 1.12 -0.08 0.00 0.00 0.00 0.00 17.79 19.41 3knj h ALA 58 CO -0.80 -0.74 -0.49 0.78 0.00 0.00 0.00 179.25 177.99 3knj h GLY 59 N -0.15 -1.13 0.43 0.00 0.00 0.18 0.27 103.07 102.67 3knj h GLY 59 Ca 0.08 0.76 0.18 0.00 0.00 0.00 0.00 47.33 48.35 3knj h GLY 59 CO -0.52 -0.18 0.57 -1.82 0.00 0.00 0.00 176.54 174.59 3knj h TYR 60 N -0.28 0.61 0.00 5.60 3.20 -0.98 1.21 116.97 126.32 3knj h TYR 60 Ca 0.08 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 61.87 3knj h TYR 60 Cb 0.48 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.55 3knj h TYR 60 CO -0.77 0.19 -0.44 1.88 -1.64 0.00 0.00 178.16 177.38 3knj h TYR 61 N 0.48 0.00 0.00 -3.82 0.05 0.12 -2.93 116.97 110.87 3knj h TYR 61 Ca 0.45 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.23 3knj h TYR 61 Cb 1.00 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.74 3knj h TYR 61 CO -0.00 0.44 0.00 0.00 -1.05 0.00 0.00 178.16 177.54 3knj n ALA 62 N -2.42 -0.24 -0.07 3.88 0.00 0.41 -3.11 120.51 118.96 3knj n ALA 62 Ca -0.01 0.00 0.25 0.00 0.00 0.00 0.00 53.44 53.67 3knj n ALA 62 Cb 0.48 0.00 0.59 0.00 0.00 0.00 0.00 19.45 20.52 3knj n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knj h ARG 63 N 0.00 0.00 0.00 0.00 3.08 -1.55 4.05 114.38 119.96 3knj h ARG 63 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3knj h ARG 63 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 3knj h ARG 63 CO 0.00 0.00 0.00 -2.13 -1.07 0.00 0.00 179.97 176.77 3knj n ARG 64 N -3.45 0.77 -3.57 0.04 3.00 -1.11 -4.56 116.66 107.77 3knj n ARG 64 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 58.00 3knj n ARG 64 Cb 1.10 -1.20 -0.04 0.00 0.00 0.00 0.00 32.46 32.32 3knj n ARG 64 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.63 178.84 3knj s ASN 65 N -1.54 -1.16 0.16 6.15 2.47 1.34 -5.05 114.94 117.30 3knj s ASN 65 Ca 0.15 1.46 -0.05 0.00 0.42 0.00 0.00 52.86 54.84 3knj s ASN 65 Cb 0.07 2.26 0.02 0.00 -1.45 0.00 0.00 41.25 42.15 3knj s ASN 65 CO 0.12 -0.23 0.30 0.23 -3.72 0.00 0.00 177.10 173.80 3knj n MET 66 N 5.45 0.44 -3.56 0.43 2.81 -1.26 -3.39 117.12 118.03 3knj n MET 66 Ca -0.10 -1.02 -0.10 0.00 -1.81 0.00 0.00 57.70 54.67 3knj n MET 66 Cb 0.49 1.18 -0.04 0.00 -0.71 0.00 0.00 33.22 34.14 3knj n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3knj s VAL 67 N -2.61 0.00 -0.24 2.03 0.11 -0.61 -4.92 120.40 114.15 3knj s VAL 67 Ca 0.08 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.84 3knj s VAL 67 Cb -0.02 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 3knj s VAL 67 CO 0.06 0.00 1.54 -1.83 -3.33 0.00 0.00 175.10 171.54 3knj s GLU 68 N -1.67 3.81 -0.77 1.54 -1.05 -1.26 -3.39 118.70 115.92 3knj s GLU 68 Ca 0.01 1.55 -0.09 0.00 -0.15 0.00 0.00 54.97 56.28 3knj s GLU 68 Cb -0.01 -4.00 0.20 0.00 -0.44 0.00 0.00 34.13 29.88 3knj s GLU 68 CO -0.01 -1.27 0.66 0.08 0.95 0.00 0.00 175.26 175.67 3knj s VAL 69 N 5.03 4.84 -0.34 1.83 1.01 0.05 -4.87 120.40 127.95 3knj s VAL 69 Ca 0.68 -2.77 -0.11 0.00 0.00 0.00 0.00 61.98 59.78 3knj s VAL 69 Cb -0.23 -4.03 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 3knj s VAL 69 CO 0.28 -0.98 1.33 -2.65 0.00 0.00 0.00 175.10 173.08 3knj n PRO 70 N 3.65 0.03 -2.75 2.72 -0.02 -1.26 -4.66 135.00 132.70 3knj n PRO 70 Ca 0.12 -0.60 -0.42 0.00 -2.02 0.00 0.00 63.50 60.58 3knj n PRO 70 Cb 0.43 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.86 3knj n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3knj s LEU 71 N 5.41 4.13 -0.88 2.45 1.43 -1.26 -4.22 118.68 125.74 3knj s LEU 71 Ca 0.30 1.29 -0.07 0.00 -1.03 0.00 0.00 54.13 54.62 3knj s LEU 71 Cb -0.00 -3.41 0.22 0.00 0.03 0.00 0.00 46.19 43.02 3knj s LEU 71 CO 0.08 -0.56 0.79 -1.10 0.23 0.00 0.00 176.35 175.79 3knj s GLN 72 N 2.80 3.46 -0.46 1.70 -1.52 -1.00 -4.70 119.66 119.95 3knj s GLN 72 Ca 0.42 -2.88 -0.02 0.00 -1.95 0.00 0.00 55.36 50.92 3knj s GLN 72 Cb -0.16 -4.19 -0.02 0.00 -0.22 0.00 0.00 33.01 28.42 3knj s GLN 72 CO 0.09 -1.25 0.41 -1.71 -0.25 0.00 0.00 175.29 172.58 3knj n ASN 73 N 3.12 -4.43 -1.39 5.90 4.05 -1.26 -3.89 115.26 117.35 3knj n ASN 73 Ca 0.17 -0.24 -0.16 0.00 0.45 0.00 0.00 54.58 54.80 3knj n ASN 73 Cb 0.41 -2.88 -0.05 0.00 1.23 0.00 0.00 39.78 38.48 3knj n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3knj n GLY 74 N -1.37 1.13 0.00 8.20 0.00 -1.26 -4.92 105.19 106.97 3knj n GLY 74 Ca -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.76 3knj n GLY 74 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3knj n THR 75 N -2.92 0.00 -4.29 2.61 5.66 -1.25 -3.23 114.28 110.86 3knj n THR 75 Ca -0.17 0.00 -0.23 0.00 -3.05 0.00 0.00 64.05 60.60 3knj n THR 75 Cb 0.56 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.22 3knj n THR 75 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 3knj s ILE 76 N -0.49 1.71 0.53 1.09 2.07 -1.26 -2.36 121.20 122.49 3knj s ILE 76 Ca 0.00 -1.60 0.23 0.00 -1.41 0.00 0.00 60.65 57.86 3knj s ILE 76 Cb 0.00 -1.59 0.35 0.00 0.13 0.00 0.00 42.46 41.35 3knj s ILE 76 CO 0.00 -0.11 2.06 1.55 -1.91 0.00 0.00 174.94 176.53 3knj h PRO 77 N 3.93 0.00 0.00 3.50 0.13 -1.91 -3.43 132.00 134.22 3knj h PRO 77 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3knj h PRO 77 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 3knj h PRO 77 CO 0.42 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 175.80 3knj n HIS 78 N -4.36 0.00 -4.13 1.56 1.44 -1.26 -5.01 115.22 103.47 3knj n HIS 78 Ca 0.04 0.00 -0.23 0.00 -2.01 0.00 0.00 57.72 55.53 3knj n HIS 78 Cb 0.40 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.45 3knj n HIS 78 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3knj s GLU 79 N 2.41 2.50 -0.23 -1.40 8.01 -1.25 -2.97 118.70 125.78 3knj s GLU 79 Ca 0.00 -1.38 -0.21 0.00 0.01 0.00 0.00 54.97 53.39 3knj s GLU 79 Cb 0.00 -2.28 0.06 0.00 -4.31 0.00 0.00 34.13 27.59 3knj s GLU 79 CO 0.00 0.25 0.60 0.96 0.01 0.00 0.00 175.26 177.08 3knj s ILE 80 N -2.32 -0.00 -0.37 -1.63 -4.36 -1.09 -4.93 121.20 106.51 3knj s ILE 80 Ca 0.35 0.00 0.04 0.00 -0.26 0.00 0.00 60.65 60.78 3knj s ILE 80 Cb -0.05 -0.84 0.10 0.00 1.25 0.00 0.00 42.46 42.93 3knj s ILE 80 CO 0.23 0.00 0.08 -1.61 0.24 0.00 0.00 174.94 173.88 3knj s GLU 81 N 0.33 1.55 -0.23 0.37 2.02 -1.26 -2.00 118.70 119.49 3knj s GLU 81 Ca -0.00 -1.99 0.01 0.00 0.02 0.00 0.00 54.97 53.00 3knj s GLU 81 Cb -0.04 -3.21 0.03 0.00 0.10 0.00 0.00 34.13 31.01 3knj s GLU 81 CO 0.01 -0.97 -0.12 0.08 0.02 0.00 0.00 175.26 174.28 3knj s VAL 82 N 0.71 2.39 -0.48 2.63 1.01 -0.73 -4.98 120.40 120.95 3knj s VAL 82 Ca 0.12 -1.18 -0.15 0.00 0.00 0.00 0.00 61.98 60.77 3knj s VAL 82 Cb -0.20 -2.20 0.08 0.00 0.00 0.00 0.00 36.38 34.06 3knj s VAL 82 CO -0.07 0.25 0.41 -1.61 0.00 0.00 0.00 175.10 174.07 3knj s GLU 83 N 1.25 2.95 -1.08 2.72 2.02 -1.26 -2.28 118.70 123.02 3knj s GLU 83 Ca -0.01 -1.43 -0.17 0.00 0.02 0.00 0.00 54.97 53.38 3knj s GLU 83 Cb -0.16 -4.14 0.14 0.00 0.10 0.00 0.00 34.13 30.06 3knj s GLU 83 CO -0.07 -1.08 1.32 0.12 0.02 0.00 0.00 175.26 175.56 3knj s PHE 84 N 1.62 3.23 0.00 1.61 5.36 -0.38 -4.87 117.98 124.55 3knj s PHE 84 Ca 0.04 -1.70 0.00 0.00 -0.96 0.00 0.00 56.93 54.31 3knj s PHE 84 Cb -0.25 -4.35 0.00 0.00 -0.34 0.00 0.00 43.02 38.08 3knj s PHE 84 CO 0.06 -1.50 0.00 0.41 -1.46 0.00 0.00 175.22 172.73 3knj n GLY 85 N 4.97 0.29 0.24 13.12 0.00 -1.26 -2.09 105.19 120.45 3knj n GLY 85 Ca 0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.25 3knj n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knj h ALA 86 N 0.00 -0.81 -2.76 4.61 0.00 -1.98 -3.45 119.26 114.87 3knj h ALA 86 Ca 0.00 -0.06 -0.58 0.00 0.00 0.00 0.00 54.91 54.26 3knj h ALA 86 Cb 0.00 0.62 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 3knj h ALA 86 CO 0.00 -0.86 -0.59 -1.12 0.00 0.00 0.00 179.25 176.68 3knj s SER 87 N -3.45 5.35 0.03 0.00 0.01 -0.89 -3.03 113.70 111.73 3knj s SER 87 Ca -0.08 -0.18 0.02 0.00 1.31 0.00 0.00 55.95 57.01 3knj s SER 87 Cb 0.03 -1.35 -0.04 0.00 0.21 0.00 0.00 66.02 64.87 3knj s SER 87 CO 0.29 0.08 0.06 -0.75 0.41 0.00 0.00 173.24 173.33 3knj s LYS 88 N -3.03 2.90 -0.16 12.44 2.20 0.14 -1.25 119.74 132.98 3knj s LYS 88 Ca 0.30 -0.62 -0.12 0.00 -0.36 0.00 0.00 55.97 55.17 3knj s LYS 88 Cb -0.10 -2.74 0.05 0.00 -1.51 0.00 0.00 37.83 33.52 3knj s LYS 88 CO 0.22 0.60 0.41 -1.50 -0.36 0.00 0.00 175.35 174.72 3knj s ILE 89 N -1.25 -0.01 0.01 5.43 2.07 -0.97 -2.02 121.20 124.45 3knj s ILE 89 Ca 0.25 0.04 0.06 0.00 -1.41 0.00 0.00 60.65 59.59 3knj s ILE 89 Cb -0.12 -0.59 -0.02 0.00 0.13 0.00 0.00 42.46 41.87 3knj s ILE 89 CO 0.16 0.02 -0.20 0.68 -1.91 0.00 0.00 174.94 173.69 3knj s VAL 90 N 0.72 1.57 -0.33 4.00 -7.23 -1.25 -1.78 120.40 116.09 3knj s VAL 90 Ca -0.04 -0.96 -0.01 0.00 -1.81 0.00 0.00 61.98 59.17 3knj s VAL 90 Cb -0.05 -1.33 0.11 0.00 0.56 0.00 0.00 36.38 35.67 3knj s VAL 90 CO -0.05 0.35 0.12 -0.76 -0.31 0.00 0.00 175.10 174.45 3knj s LEU 91 N -0.71 2.08 0.05 1.32 1.02 -0.85 -3.26 118.68 118.33 3knj s LEU 91 Ca 0.07 -1.75 -0.08 0.00 0.02 0.00 0.00 54.13 52.39 3knj s LEU 91 Cb -0.08 -0.81 -0.05 0.00 0.02 0.00 0.00 46.19 45.26 3knj s LEU 91 CO 0.00 -0.40 0.33 -0.54 0.02 0.00 0.00 176.35 175.77 3knj s LYS 92 N 1.48 3.66 0.66 1.70 1.02 -0.97 -2.65 119.74 124.64 3knj s LYS 92 Ca 0.11 0.03 -0.15 0.00 0.02 0.00 0.00 55.97 55.98 3knj s LYS 92 Cb -0.18 -3.03 -0.00 0.00 -0.52 0.00 0.00 37.83 34.10 3knj s LYS 92 CO -0.22 0.60 1.12 -1.25 -0.92 0.00 0.00 175.35 174.68 3knj s PRO 93 N -1.89 2.77 -0.00 -1.68 0.04 -1.16 -2.69 135.00 130.39 3knj s PRO 93 Ca 0.31 1.46 0.08 0.00 0.04 0.00 0.00 61.00 62.88 3knj s PRO 93 Cb -0.13 -1.94 -0.02 0.00 0.04 0.00 0.00 34.50 32.44 3knj s PRO 93 CO 0.18 -1.28 -0.24 0.00 0.04 0.00 0.00 177.00 175.69 3knj s ALA 94 N -2.24 2.28 0.73 8.56 0.00 -1.25 -4.68 121.76 125.15 3knj s ALA 94 Ca 0.68 -1.14 -0.14 0.00 0.00 0.00 0.00 51.96 51.35 3knj s ALA 94 Cb -0.22 -0.60 0.04 0.00 0.00 0.00 0.00 23.12 22.34 3knj s ALA 94 CO 0.41 0.54 1.17 0.00 0.00 0.00 0.00 175.76 177.88 3knj s ALA 95 N -0.69 2.16 0.12 0.00 0.00 -1.26 -4.52 121.76 117.56 3knj s ALA 95 Ca 0.11 0.75 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 3knj s ALA 95 Cb -0.10 -3.42 -0.14 0.00 0.00 0.00 0.00 23.12 19.45 3knj s ALA 95 CO 0.00 -1.79 0.54 -2.30 0.00 0.00 0.00 175.76 172.21 3knj n PRO 96 N -2.79 0.00 -4.00 0.00 -0.02 -1.26 -1.61 135.00 125.33 3knj n PRO 96 Ca 0.12 0.00 -0.32 0.00 -2.02 0.00 0.00 63.50 61.29 3knj n PRO 96 Cb 0.51 -0.92 0.01 0.00 -0.02 0.00 0.00 33.50 33.08 3knj n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knj n GLY 97 N 1.50 -0.47 0.08 -1.23 0.00 -1.26 -4.83 105.19 98.98 3knj n GLY 97 Ca 0.15 0.17 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 3knj n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3knj h THR 98 N -1.91 0.96 0.00 2.61 2.02 -1.54 -3.51 112.91 111.54 3knj h THR 98 Ca -0.59 -2.69 0.00 0.00 0.77 0.00 0.00 66.41 63.90 3knj h THR 98 Cb 1.38 2.44 0.00 0.00 -1.74 0.00 0.00 68.15 70.22 3knj h THR 98 CO 0.70 0.55 0.00 0.61 0.37 0.00 0.00 175.52 177.75 3knj n GLY 99 N 1.46 -2.62 3.00 2.16 0.00 -1.14 -4.87 105.19 103.19 3knj n GLY 99 Ca -0.11 -1.90 -0.31 0.00 0.00 0.00 0.00 46.02 43.70 3knj n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 100 N -0.42 1.94 -0.43 1.61 1.01 -1.22 0.26 120.40 123.15 3knj s VAL 100 Ca 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 61.98 60.14 3knj s VAL 100 Cb 0.00 -2.21 0.04 0.00 0.00 0.00 0.00 36.38 34.21 3knj s VAL 100 CO 0.00 -0.23 0.35 0.27 0.00 0.00 0.00 175.10 175.48 3knj s ILE 101 N 1.16 5.23 -0.04 2.22 -0.00 -1.20 -5.01 121.20 123.56 3knj s ILE 101 Ca -0.02 -0.75 -0.30 0.00 -0.00 0.00 0.00 60.65 59.58 3knj s ILE 101 Cb -0.19 -4.01 0.11 0.00 -0.00 0.00 0.00 42.46 38.37 3knj s ILE 101 CO -0.07 -0.41 1.05 0.00 -0.00 0.00 0.00 174.94 175.50 3knj s ALA 102 N 1.73 -1.92 0.75 2.27 0.00 -1.26 -2.45 121.76 120.87 3knj s ALA 102 Ca 0.06 1.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.89 3knj s ALA 102 Cb -0.20 0.29 0.05 0.00 0.00 0.00 0.00 23.12 23.25 3knj s ALA 102 CO 0.09 -0.76 1.13 0.20 0.00 0.00 0.00 175.76 176.42 3knj s GLY 103 N -2.53 1.97 0.00 0.00 0.00 -1.26 -4.61 107.32 100.89 3knj s GLY 103 Ca 0.09 0.54 0.00 0.00 0.00 0.00 0.00 44.72 45.35 3knj s GLY 103 CO -0.05 0.92 0.16 0.00 0.00 0.00 0.00 173.10 174.13 3knj n ALA 104 N -3.13 0.61 -0.82 3.20 0.00 -1.26 -1.82 120.51 117.30 3knj n ALA 104 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3knj n ALA 104 Cb 0.52 -0.41 0.00 0.00 0.00 0.00 0.00 19.45 19.56 3knj n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knj n VAL 105 N -0.61 0.00 0.31 0.00 0.31 -1.26 -3.92 118.33 113.15 3knj n VAL 105 Ca 0.00 0.08 0.19 0.00 -0.01 0.00 0.00 64.34 64.60 3knj n VAL 105 Cb 0.00 -1.01 1.02 0.00 -0.91 0.00 0.00 33.84 32.94 3knj n VAL 105 CO 0.00 0.00 0.00 1.55 -1.32 0.00 0.00 176.83 177.06 3knj h PRO 106 N 0.00 0.00 0.74 5.55 0.13 -1.90 0.61 132.00 137.14 3knj h PRO 106 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 3knj h PRO 106 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 3knj h PRO 106 CO 0.00 0.00 -0.36 -0.09 -0.23 0.00 0.00 178.00 177.32 3knj h ARG 107 N 0.00 -0.97 0.00 0.86 2.43 -1.61 -2.39 114.38 112.70 3knj h ARG 107 Ca 0.02 0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 3knj h ARG 107 Cb 0.23 0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.00 3knj h ARG 107 CO -0.00 -0.65 0.00 0.00 -1.51 0.00 0.00 179.97 177.81 3knj n ALA 108 N -2.51 0.00 -0.24 2.80 0.00 0.21 0.19 120.51 120.96 3knj n ALA 108 Ca -0.13 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.33 3knj n ALA 108 Cb 0.40 0.12 0.09 0.00 0.00 0.00 0.00 19.45 20.06 3knj n ALA 108 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3knj h ILE 109 N 0.00 0.31 0.00 0.00 2.04 -1.54 -2.10 117.51 116.21 3knj h ILE 109 Ca 0.00 -0.01 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3knj h ILE 109 Cb 0.00 0.29 -0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3knj h ILE 109 CO 0.00 0.00 -0.02 -0.07 0.00 0.00 0.00 178.15 178.06 3knj h LEU 110 N 0.02 0.00 0.00 1.44 3.38 0.30 0.44 115.31 120.89 3knj h LEU 110 Ca 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.32 3knj h LEU 110 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3knj h LEU 110 CO -0.71 0.02 -0.00 -0.33 0.09 0.00 0.00 178.44 177.51 3knj h GLU 111 N 0.00 -0.00 0.00 1.13 5.08 -0.62 -1.53 114.58 118.64 3knj h GLU 111 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 3knj h GLU 111 Cb 0.05 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3knj h GLU 111 CO 0.00 0.86 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.74 3knj h LEU 112 N -0.97 0.00 -1.76 1.33 3.38 -1.44 0.83 115.31 116.67 3knj h LEU 112 Ca -0.00 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3knj h LEU 112 Cb 0.86 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.61 3knj h LEU 112 CO 0.00 0.06 -0.11 0.00 0.09 0.00 0.00 178.44 178.48 3knj h ALA 113 N 1.94 1.14 -0.21 1.53 0.00 -0.05 0.99 119.26 124.59 3knj h ALA 113 Ca -0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3knj h ALA 113 Cb 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3knj h ALA 113 CO 0.01 0.14 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3knj n GLY 114 N -0.41 0.85 3.07 0.00 0.00 0.28 -2.82 105.19 106.17 3knj n GLY 114 Ca -0.01 -0.10 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 3knj n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knj s VAL 115 N -1.93 1.06 0.00 1.61 1.01 -0.60 -4.71 120.40 116.84 3knj s VAL 115 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 3knj s VAL 115 Cb 0.00 -0.91 0.00 0.00 0.00 0.00 0.00 36.38 35.47 3knj s VAL 115 CO 0.00 0.31 0.00 0.41 0.00 0.00 0.00 175.10 175.82 3knj n THR 116 N 3.09 0.00 -4.07 3.92 -1.04 -1.20 -4.39 114.28 110.58 3knj n THR 116 Ca -0.17 0.00 -0.33 0.00 -2.04 0.00 0.00 64.05 61.51 3knj n THR 116 Cb 0.54 0.30 -0.16 0.00 -1.82 0.00 0.00 70.33 69.20 3knj n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3knj s ASP 117 N -1.97 3.45 -0.11 8.00 1.01 -1.21 -2.86 116.67 122.97 3knj s ASP 117 Ca 0.00 -0.66 -0.33 0.00 0.71 0.00 0.00 52.55 52.27 3knj s ASP 117 Cb 0.00 -1.53 0.13 0.00 1.01 0.00 0.00 42.92 42.52 3knj s ASP 117 CO 0.00 -0.02 1.16 -0.51 0.21 0.00 0.00 175.17 176.01 3knj s ILE 118 N 1.31 0.00 -0.01 0.77 1.10 0.14 -3.81 121.20 120.71 3knj s ILE 118 Ca 0.04 -0.07 0.00 0.00 -0.51 0.00 0.00 60.65 60.11 3knj s ILE 118 Cb -0.14 -1.22 0.01 0.00 0.15 0.00 0.00 42.46 41.27 3knj s ILE 118 CO -0.11 0.00 0.01 -0.76 -2.11 0.00 0.00 174.94 171.98 3knj s LEU 119 N -2.40 1.58 0.22 8.50 1.43 -1.10 -3.27 118.68 123.64 3knj s LEU 119 Ca 0.10 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.10 3knj s LEU 119 Cb -0.00 -0.04 -0.00 0.00 0.03 0.00 0.00 46.19 46.18 3knj s LEU 119 CO -0.05 -0.06 0.41 0.42 0.23 0.00 0.00 176.35 177.30 3knj s THR 120 N 0.49 0.02 0.20 5.49 -4.23 -1.03 -2.30 115.64 114.28 3knj s THR 120 Ca -0.04 -1.39 -0.05 0.00 -1.18 0.00 0.00 61.69 59.03 3knj s THR 120 Cb -0.06 -2.08 -0.03 0.00 1.34 0.00 0.00 72.50 71.67 3knj s THR 120 CO -0.01 -0.08 0.24 -0.75 -0.54 0.00 0.00 174.62 173.48 3knj s LYS 121 N -4.00 1.27 -0.20 3.99 2.47 -1.20 -4.68 119.74 117.37 3knj s LYS 121 Ca 0.21 -1.45 0.01 0.00 -1.56 0.00 0.00 55.97 53.18 3knj s LYS 121 Cb 0.01 0.34 0.04 0.00 -1.46 0.00 0.00 37.83 36.76 3knj s LYS 121 CO 0.06 -0.45 -0.11 -1.21 0.16 0.00 0.00 175.35 173.79 3knj s GLU 122 N -4.09 2.14 0.02 4.03 2.02 -1.26 -3.94 118.70 117.62 3knj s GLU 122 Ca 0.30 -0.89 0.08 0.00 0.02 0.00 0.00 54.97 54.48 3knj s GLU 122 Cb 0.04 -2.47 -0.02 0.00 0.10 0.00 0.00 34.13 31.78 3knj s GLU 122 CO 0.09 -0.42 -0.23 -0.51 0.02 0.00 0.00 175.26 174.20 3knj s LEU 123 N 1.36 2.11 0.00 1.80 1.43 -0.86 -4.96 118.68 119.57 3knj s LEU 123 Ca -0.01 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.59 3knj s LEU 123 Cb -0.16 -1.15 0.00 0.00 0.03 0.00 0.00 46.19 44.90 3knj s LEU 123 CO -0.08 0.24 0.00 0.61 0.23 0.00 0.00 176.35 177.35 3knj n GLY 124 N 2.11 1.88 1.55 -3.19 0.00 -1.26 0.24 105.19 106.52 3knj n GLY 124 Ca -0.16 -0.22 -0.12 0.00 0.00 0.00 0.00 46.02 45.51 3knj n GLY 124 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3knj n SER 125 N 6.43 -0.26 0.00 1.61 2.88 -1.17 -4.99 113.62 118.12 3knj n SER 125 Ca 0.00 -1.11 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 3knj n SER 125 Cb 0.00 -0.41 0.00 0.00 -0.75 0.00 0.00 64.21 63.05 3knj n SER 125 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3knj n ARG 126 N -2.30 0.30 -0.90 -1.46 1.74 -1.26 -4.78 116.66 108.00 3knj n ARG 126 Ca 0.07 0.00 -0.35 0.00 -0.77 0.00 0.00 57.85 56.80 3knj n ARG 126 Cb 0.24 -0.27 -0.05 0.00 -1.02 0.00 0.00 32.46 31.36 3knj n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3knj n ASN 127 N -0.45 0.56 -0.31 0.55 2.85 -1.26 -4.73 115.26 112.46 3knj n ASN 127 Ca 0.00 0.62 -0.08 0.00 -0.11 0.00 0.00 54.58 55.01 3knj n ASN 127 Cb 0.00 -0.46 -0.07 0.00 1.24 0.00 0.00 39.78 40.48 3knj n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3knj n PRO 128 N 1.94 -0.33 0.00 1.20 -0.02 -1.26 -2.52 135.00 134.02 3knj n PRO 128 Ca 0.16 1.16 0.00 0.00 -2.02 0.00 0.00 63.50 62.79 3knj n PRO 128 Cb -0.02 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3knj n PRO 128 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 3knj n ILE 129 N -4.87 0.00 -0.15 4.25 -0.00 -1.26 -1.10 119.36 116.23 3knj n ILE 129 Ca 0.01 0.25 0.09 0.00 -0.00 0.00 0.00 62.75 63.10 3knj n ILE 129 Cb 0.19 -0.88 0.17 0.00 -0.00 0.00 0.00 39.64 39.12 3knj n ILE 129 CO 0.00 0.00 0.00 0.59 -0.00 0.00 0.00 176.55 177.14 3knj n ASN 130 N 0.00 0.01 0.19 4.38 4.13 -1.23 0.35 115.26 123.09 3knj n ASN 130 Ca 0.00 0.73 -0.14 0.00 1.68 0.00 0.00 54.58 56.85 3knj n ASN 130 Cb 0.00 -0.30 -0.07 0.00 -1.54 0.00 0.00 39.78 37.87 3knj n ASN 130 CO 0.00 0.00 0.00 0.40 0.28 0.00 0.00 177.26 177.94 3knj h ILE 131 N 0.00 0.41 0.00 2.41 1.08 -1.34 0.67 117.51 120.74 3knj h ILE 131 Ca 0.30 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.77 3knj h ILE 131 Cb 0.68 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 34.84 3knj h ILE 131 CO -0.39 0.00 0.00 0.00 -0.69 0.00 0.00 178.15 177.07 3knj n ALA 132 N -2.56 -0.18 0.20 1.87 0.00 1.08 -0.93 120.51 119.98 3knj n ALA 132 Ca -0.09 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.41 3knj n ALA 132 Cb 0.31 0.26 0.33 0.00 0.00 0.00 0.00 19.45 20.35 3knj n ALA 132 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3knj h TYR 133 N 0.00 0.00 0.10 0.00 -1.99 -1.10 0.32 116.97 114.30 3knj h TYR 133 Ca 0.00 0.00 -0.30 0.00 2.00 0.00 0.00 58.73 60.43 3knj h TYR 133 Cb 0.00 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.72 3knj h TYR 133 CO -0.37 0.00 -1.59 0.00 -0.00 0.00 0.00 178.16 176.20 3knj h ALA 134 N 0.91 0.28 0.14 3.88 0.00 0.16 -3.37 119.26 121.26 3knj h ALA 134 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 54.91 53.69 3knj h ALA 134 Cb 0.86 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 3knj h ALA 134 CO 0.00 0.97 -0.09 1.15 0.00 0.00 0.00 179.25 181.28 3knj h THR 135 N -0.30 0.00 -0.63 0.00 2.02 0.15 -2.02 112.91 112.14 3knj h THR 135 Ca -0.35 0.00 0.06 0.00 0.77 0.00 0.00 66.41 66.88 3knj h THR 135 Cb 1.78 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 68.11 3knj h THR 135 CO 0.02 0.00 -0.37 0.23 0.37 0.00 0.00 175.52 175.77 3knj n MET 136 N -2.78 -0.28 -0.35 6.66 2.00 -1.12 0.77 117.12 122.03 3knj n MET 136 Ca -0.03 1.09 0.26 0.00 0.00 0.00 0.00 57.70 59.02 3knj n MET 136 Cb 0.10 -1.60 0.51 0.00 0.00 0.00 0.00 33.22 32.22 3knj n MET 136 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3knj h GLU 137 N 0.00 0.27 0.41 0.03 4.39 -1.70 0.34 114.58 118.32 3knj h GLU 137 Ca 0.10 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.77 3knj h GLU 137 Cb 0.26 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3knj h GLU 137 CO -0.59 0.18 -0.31 0.00 -1.16 0.00 0.00 179.01 177.13 3knj h ALA 138 N 1.81 -0.72 -0.00 3.43 0.00 0.11 -1.30 119.26 122.59 3knj h ALA 138 Ca 0.74 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.53 3knj h ALA 138 Cb 1.82 0.41 -0.00 0.00 0.00 0.00 0.00 17.79 20.03 3knj h ALA 138 CO -0.57 -0.93 0.06 -0.07 0.00 0.00 0.00 179.25 177.74 3knj h LEU 139 N -0.71 0.00 0.00 0.00 3.38 -0.01 0.64 115.31 118.61 3knj h LEU 139 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 3knj h LEU 139 Cb 0.61 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3knj h LEU 139 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 178.44 177.39 3knj n ARG 140 N -3.10 0.61 -1.85 1.13 0.63 -0.49 -3.26 116.66 110.32 3knj n ARG 140 Ca -0.03 0.00 -0.08 0.00 -0.92 0.00 0.00 57.85 56.83 3knj n ARG 140 Cb 0.13 -1.49 0.07 0.00 0.45 0.00 0.00 32.46 31.62 3knj n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3knj n GLN 141 N -0.99 2.19 -3.88 -0.14 6.02 0.22 -5.06 117.38 115.75 3knj n GLN 141 Ca 0.14 -3.51 -0.34 0.00 -0.01 0.00 0.00 57.00 53.28 3knj n GLN 141 Cb 0.07 -1.65 -0.05 0.00 1.02 0.00 0.00 30.24 29.63 3knj n GLN 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3knj s LEU 142 N -3.07 4.37 -0.41 1.08 1.43 -1.20 -5.07 118.68 115.81 3knj s LEU 142 Ca 0.40 0.39 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 3knj s LEU 142 Cb 0.38 -2.57 0.17 0.00 0.03 0.00 0.00 46.19 44.19 3knj s LEU 142 CO -0.03 0.28 0.43 -0.13 0.23 0.00 0.00 176.35 177.12 3knj s ARG 143 N -1.81 0.78 1.00 1.70 1.81 -1.26 -4.88 118.95 116.30 3knj s ARG 143 Ca 0.26 -1.21 -0.27 0.00 -1.72 0.00 0.00 55.73 52.78 3knj s ARG 143 Cb -0.13 -0.78 -0.19 0.00 -0.45 0.00 0.00 34.95 33.40 3knj s ARG 143 CO 0.17 -1.27 -1.51 0.25 -0.68 0.00 0.00 175.30 172.26 3knj n THR 144 N 3.67 0.00 -0.47 0.02 -2.24 -1.26 -4.47 114.28 109.53 3knj n THR 144 Ca 0.17 -0.03 0.40 0.00 -2.27 0.00 0.00 64.05 62.33 3knj n THR 144 Cb 0.48 -0.01 0.74 0.00 -2.10 0.00 0.00 70.33 69.43 3knj n THR 144 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3knj h LYS 145 N -1.02 0.05 0.00 -0.78 3.11 -2.00 -3.19 116.57 112.73 3knj h LYS 145 Ca -0.39 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 3knj h LYS 145 Cb 1.40 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.61 3knj h LYS 145 CO 0.21 0.03 0.00 0.00 -2.81 0.00 0.00 179.45 176.89 3knj n ALA 146 N -2.75 0.00 0.00 5.00 0.00 -1.26 -3.92 120.51 117.57 3knj n ALA 146 Ca 0.34 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.78 3knj n ALA 146 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.95 3knj n ALA 146 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3knj n ASP 147 N 0.00 0.00 -0.32 0.00 10.43 -1.21 0.15 116.55 125.60 3knj n ASP 147 Ca 0.00 0.00 0.09 0.00 2.57 0.00 0.00 54.79 57.45 3knj n ASP 147 Cb 0.00 0.00 0.21 0.00 1.84 0.00 0.00 41.12 43.17 3knj n ASP 147 CO 0.00 0.00 0.00 0.58 -1.07 0.00 0.00 177.20 176.71 3knj h VAL 148 N 0.00 0.10 0.26 2.53 2.07 -1.74 0.49 116.25 119.97 3knj h VAL 148 Ca 0.00 -0.01 0.00 0.00 0.82 0.00 0.00 66.70 67.51 3knj h VAL 148 Cb 0.00 0.07 -0.04 0.00 -1.52 0.00 0.00 31.29 29.80 3knj h VAL 148 CO 0.00 0.01 -0.52 -0.33 0.02 0.00 0.00 177.57 176.75 3knj h GLU 149 N 0.03 -0.82 -1.26 1.57 4.39 0.12 -0.11 114.58 118.50 3knj h GLU 149 Ca 0.51 0.06 0.36 0.00 0.34 0.00 0.00 59.36 60.63 3knj h GLU 149 Cb 0.94 0.19 -0.07 0.00 -0.10 0.00 0.00 28.75 29.71 3knj h GLU 149 CO -0.88 -0.55 0.88 0.00 -1.16 0.00 0.00 179.01 177.30 3knj h ARG 150 N -0.85 0.08 0.01 2.33 3.08 -1.01 1.12 114.38 119.14 3knj h ARG 150 Ca -0.03 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 59.80 3knj h ARG 150 Cb 0.80 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.81 3knj h ARG 150 CO -0.20 0.05 -1.10 -0.07 -1.07 0.00 0.00 179.97 177.58 3knj h LEU 151 N 0.08 0.03 -4.69 3.04 3.38 -0.72 -3.29 115.31 113.14 3knj h LEU 151 Ca 0.63 -0.04 -0.70 0.00 0.09 0.00 0.00 57.88 57.86 3knj h LEU 151 Cb 2.31 -0.01 -0.32 0.00 0.09 0.00 0.00 40.66 42.73 3knj h LEU 151 CO -0.10 1.03 0.50 0.54 0.09 0.00 0.00 178.44 180.50 3knj n ARG 152 N -3.33 2.96 0.00 1.13 1.74 0.38 -4.84 116.66 114.70 3knj n ARG 152 Ca -0.03 -3.77 0.00 0.00 -0.77 0.00 0.00 57.85 53.28 3knj n ARG 152 Cb 0.96 -2.27 0.00 0.00 -1.02 0.00 0.00 32.46 30.13 3knj n ARG 152 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3knj n LYS 153 N -0.58 0.00 0.00 5.56 4.76 -0.69 -4.89 118.16 122.32 3knj n LYS 153 Ca 0.51 0.11 0.00 0.00 -2.87 0.00 0.00 58.31 56.06 3knj n LYS 153 Cb 0.43 -1.00 0.00 0.00 -1.84 0.00 0.00 35.03 32.62 3knj n LYS 153 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3knj n GLY 154 N -0.61 0.00 0.00 0.72 0.00 -1.26 -5.07 105.19 98.97 3knj n GLY 154 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knj n GLY 154 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11