#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kn0 s PHE 26 N 0.00 3.49 0.00 0.00 5.36 -1.26 -1.07 117.98 124.50 1kn0 s PHE 26 Ca 0.00 1.57 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 1kn0 s PHE 26 Cb 0.00 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.49 1kn0 s PHE 26 CO 0.00 -0.26 0.00 0.41 -1.46 0.00 0.00 175.22 173.91 1kn0 n GLY 27 N 3.13 1.90 0.08 13.12 0.00 0.19 -4.83 105.19 118.78 1kn0 n GLY 27 Ca 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.03 1kn0 n GLY 27 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn0 n GLN 28 N -2.00 0.45 -1.20 1.61 1.13 -1.12 -4.27 117.38 111.98 1kn0 n GLN 28 Ca 0.00 0.18 -0.40 0.00 -1.94 0.00 0.00 57.00 54.84 1kn0 n GLN 28 Cb 0.00 -1.30 -0.02 0.00 0.11 0.00 0.00 30.24 29.03 1kn0 n GLN 28 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kn0 s GLN 30 N -0.88 2.45 0.42 0.00 -0.21 -1.26 -3.55 119.66 116.62 1kn0 s GLN 30 Ca 0.55 -0.88 -0.26 0.00 0.02 0.00 0.00 55.36 54.79 1kn0 s GLN 30 Cb -0.72 -2.17 -0.09 0.00 1.00 0.00 0.00 33.01 31.02 1kn0 s GLN 30 CO 0.52 0.46 1.40 0.71 -2.12 0.00 0.00 175.29 176.26 1kn0 s TYR 31 N -0.35 2.59 0.44 0.91 1.51 -1.26 -5.00 117.35 116.19 1kn0 s TYR 31 Ca 0.02 1.29 -0.08 0.00 -1.01 0.00 0.00 57.07 57.29 1kn0 s TYR 31 Cb -0.12 -3.86 -0.05 0.00 -0.11 0.00 0.00 41.96 37.81 1kn0 s TYR 31 CO 0.02 -2.69 0.78 0.95 -1.11 0.00 0.00 175.55 173.50 1kn0 s THR 32 N -1.20 4.84 0.27 -0.71 -4.23 -1.26 -4.84 115.64 108.50 1kn0 s THR 32 Ca 0.58 0.44 -0.01 0.00 -1.18 0.00 0.00 61.69 61.52 1kn0 s THR 32 Cb -0.43 -3.79 0.25 0.00 1.34 0.00 0.00 72.50 69.87 1kn0 s THR 32 CO 0.55 -0.67 1.72 0.00 -0.54 0.00 0.00 174.62 175.68 1kn0 h ALA 33 N 0.79 1.23 0.37 3.99 0.00 -1.99 0.54 119.26 124.19 1kn0 h ALA 33 Ca -0.47 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1kn0 h ALA 33 Cb 1.19 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.07 1kn0 h ALA 33 CO 0.63 -0.24 -0.28 0.93 0.00 0.00 0.00 179.25 180.29 1kn0 h GLU 34 N 0.46 -0.63 -0.30 0.00 3.07 -2.00 -1.60 114.58 113.58 1kn0 h GLU 34 Ca 0.48 0.04 -0.02 0.00 -0.50 0.00 0.00 59.36 59.36 1kn0 h GLU 34 Cb 0.79 0.14 -0.01 0.00 -0.84 0.00 0.00 28.75 28.83 1kn0 h GLU 34 CO -0.45 -0.42 0.12 1.49 -1.40 0.00 0.00 179.01 178.35 1kn0 h GLU 35 N -0.65 0.46 -0.19 2.33 4.81 -1.83 -1.78 114.58 117.73 1kn0 h GLU 35 Ca -0.03 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.17 1kn0 h GLU 35 Cb 0.56 -0.07 -0.07 0.00 0.63 0.00 0.00 28.75 29.80 1kn0 h GLU 35 CO -0.01 0.48 -0.30 -0.92 -0.73 0.00 0.00 179.01 177.53 1kn0 h TYR 36 N 0.34 -0.82 -0.33 0.92 3.20 -0.83 0.61 116.97 120.07 1kn0 h TYR 36 Ca 0.10 0.04 0.03 0.00 3.14 0.00 0.00 58.73 62.04 1kn0 h TYR 36 Cb 0.20 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.82 1kn0 h TYR 36 CO -0.00 -0.37 0.14 0.37 -1.64 0.00 0.00 178.16 176.66 1kn0 h GLN 37 N -0.34 0.29 0.04 1.82 4.15 -1.20 0.31 115.11 120.19 1kn0 h GLN 37 Ca 0.11 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.52 1kn0 h GLN 37 Cb 0.52 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 1kn0 h GLN 37 CO -0.38 0.19 -0.05 0.00 -1.93 0.00 0.00 178.83 176.66 1kn0 h ALA 38 N 1.18 -0.08 -0.53 3.38 0.00 -0.73 -1.40 119.26 121.08 1kn0 h ALA 38 Ca 0.14 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 1kn0 h ALA 38 Cb 0.08 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1kn0 h ALA 38 CO -0.12 -0.56 0.13 0.82 0.00 0.00 0.00 179.25 179.53 1kn0 h ILE 39 N -0.11 1.24 -0.15 0.00 2.04 -0.73 -0.91 117.51 118.90 1kn0 h ILE 39 Ca 0.01 -0.86 0.04 0.00 1.00 0.00 0.00 64.86 65.05 1kn0 h ILE 39 Cb 0.11 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.98 1kn0 h ILE 39 CO -0.03 0.31 0.11 -0.61 0.00 0.00 0.00 178.15 177.93 1kn0 h GLN 40 N 0.74 0.02 0.00 2.37 5.75 -0.08 -0.63 115.11 123.27 1kn0 h GLN 40 Ca 0.17 -0.00 -0.06 0.00 -0.15 0.00 0.00 58.65 58.60 1kn0 h GLN 40 Cb 0.33 -0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.87 1kn0 h GLN 40 CO 0.00 0.01 -0.39 0.87 -2.65 0.00 0.00 178.83 176.67 1kn0 h LYS 41 N 0.02 0.00 -0.99 1.69 1.57 -0.95 -3.37 116.57 114.53 1kn0 h LYS 41 Ca 0.07 0.00 0.17 0.00 -1.87 0.00 0.00 60.65 59.02 1kn0 h LYS 41 Cb 0.26 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.47 1kn0 h LYS 41 CO -0.00 0.71 0.60 0.00 -0.57 0.00 0.00 179.45 180.19 1kn0 h ALA 42 N -0.42 1.60 0.00 3.86 0.00 -0.94 -0.99 119.26 122.37 1kn0 h ALA 42 Ca -0.09 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kn0 h ALA 42 Cb 0.84 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 1kn0 h ALA 42 CO -0.06 0.02 -0.01 -0.07 0.00 0.00 0.00 179.25 179.14 1kn0 h LEU 43 N 0.82 0.00 -0.80 0.00 3.38 -1.28 -1.86 115.31 115.57 1kn0 h LEU 43 Ca 0.55 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 58.39 1kn0 h LEU 43 Cb 0.77 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1kn0 h LEU 43 CO -0.35 0.01 -0.53 0.03 0.09 0.00 0.00 178.44 177.68 1kn0 h ARG 44 N 0.00 0.18 -6.31 1.13 3.08 -1.34 0.25 114.38 111.37 1kn0 h ARG 44 Ca -0.00 -0.11 -0.57 0.00 0.07 0.00 0.00 59.98 59.36 1kn0 h ARG 44 Cb 0.05 0.01 0.19 0.00 0.08 0.00 0.00 29.97 30.30 1kn0 h ARG 44 CO 0.00 0.67 -0.90 1.04 -1.07 0.00 0.00 179.97 179.71 1kn0 n GLN 45 N -3.92 0.16 -4.05 0.04 6.02 -0.70 -4.53 117.38 110.40 1kn0 n GLN 45 Ca -0.02 0.07 -0.29 0.00 -0.01 0.00 0.00 57.00 56.75 1kn0 n GLN 45 Cb 0.56 -1.39 -0.06 0.00 1.02 0.00 0.00 30.24 30.37 1kn0 n GLN 45 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1kn0 s ARG 46 N -1.97 2.91 0.34 -1.09 0.52 -1.26 -1.93 118.95 116.48 1kn0 s ARG 46 Ca 0.59 -0.73 -0.26 0.00 -0.52 0.00 0.00 55.73 54.81 1kn0 s ARG 46 Cb -0.38 -2.72 -0.09 0.00 0.52 0.00 0.00 34.95 32.28 1kn0 s ARG 46 CO 0.65 0.55 1.01 -0.51 0.02 0.00 0.00 175.30 177.01 1kn0 s LEU 47 N -2.59 4.30 0.84 2.53 2.01 -1.26 -4.96 118.68 119.55 1kn0 s LEU 47 Ca 0.30 1.99 -0.13 0.00 0.01 0.00 0.00 54.13 56.30 1kn0 s LEU 47 Cb -0.12 -4.01 0.10 0.00 0.01 0.00 0.00 46.19 42.18 1kn0 s LEU 47 CO 0.23 -0.25 1.20 -0.83 1.01 0.00 0.00 176.35 177.71 1kn0 s GLY 48 N -1.46 1.62 0.12 -3.19 0.00 -1.26 -4.92 107.32 98.23 1kn0 s GLY 48 Ca 0.52 -0.73 0.11 0.00 0.00 0.00 0.00 44.72 44.62 1kn0 s GLY 48 CO 0.28 -0.19 1.35 -1.05 0.00 0.00 0.00 173.10 173.49 1kn0 n PRO 49 N -3.42 0.06 0.06 2.90 -0.02 -1.26 -1.83 135.00 131.48 1kn0 n PRO 49 Ca 0.09 0.49 0.09 0.00 -2.02 0.00 0.00 63.50 62.16 1kn0 n PRO 49 Cb 0.61 -1.68 0.40 0.00 -0.02 0.00 0.00 33.50 32.81 1kn0 n PRO 49 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 1kn0 n GLU 50 N -1.81 0.09 -0.05 -0.52 4.71 -1.26 -3.02 120.64 118.78 1kn0 n GLU 50 Ca 0.00 0.31 -0.01 0.00 -0.01 0.00 0.00 57.16 57.45 1kn0 n GLU 50 Cb 0.06 -1.66 -0.13 0.00 -1.01 0.00 0.00 31.44 28.70 1kn0 n GLU 50 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1kn0 n TYR 51 N -1.83 0.00 -2.89 -0.32 4.02 -0.76 -5.01 117.16 110.36 1kn0 n TYR 51 Ca 0.03 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.60 1kn0 n TYR 51 Cb 0.21 -0.63 -0.06 0.00 -0.02 0.00 0.00 39.34 38.83 1kn0 n TYR 51 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 176.86 176.27 1kn0 s ILE 52 N -2.74 4.51 0.21 -0.72 -1.09 -1.17 -4.31 121.20 115.89 1kn0 s ILE 52 Ca -0.07 1.25 0.04 0.00 -2.23 0.00 0.00 60.65 59.64 1kn0 s ILE 52 Cb 0.08 -3.62 -0.02 0.00 -1.58 0.00 0.00 42.46 37.32 1kn0 s ILE 52 CO 0.70 -0.32 0.15 -1.20 -1.23 0.00 0.00 174.94 173.04 1kn0 n SER 53 N -0.66 -0.07 -3.58 3.58 7.64 0.05 -4.97 113.62 115.62 1kn0 n SER 53 Ca 0.06 -2.32 -0.16 0.00 1.01 0.00 0.00 58.87 57.46 1kn0 n SER 53 Cb 0.54 0.92 -0.06 0.00 -1.01 0.00 0.00 64.21 64.59 1kn0 n SER 53 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1kn0 s SER 54 N -2.43 -0.50 0.15 6.43 1.04 -1.26 -2.40 113.70 114.73 1kn0 s SER 54 Ca 0.21 0.43 0.03 0.00 0.48 0.00 0.00 55.95 57.10 1kn0 s SER 54 Cb 0.01 0.48 -0.05 0.00 0.10 0.00 0.00 66.02 66.57 1kn0 s SER 54 CO 0.15 -0.62 -0.05 -0.13 0.98 0.00 0.00 173.24 173.58 1kn0 s ARG 55 N -1.61 1.06 -0.49 4.02 0.52 -0.55 -4.96 118.95 116.93 1kn0 s ARG 55 Ca -0.10 -1.48 -0.16 0.00 -0.52 0.00 0.00 55.73 53.48 1kn0 s ARG 55 Cb -0.01 -0.42 0.08 0.00 0.52 0.00 0.00 34.95 35.12 1kn0 s ARG 55 CO 0.05 -0.03 0.44 1.41 0.02 0.00 0.00 175.30 177.19 1kn0 s MET 56 N -3.83 2.99 0.15 3.54 1.75 -1.26 -1.36 119.30 121.28 1kn0 s MET 56 Ca 0.19 -1.38 -0.34 0.00 -1.25 0.00 0.00 55.69 52.91 1kn0 s MET 56 Cb 0.05 -4.16 -0.15 0.00 2.84 0.00 0.00 34.83 33.40 1kn0 s MET 56 CO 0.01 -1.11 1.42 0.00 -0.65 0.00 0.00 175.02 174.70 1kn0 n ALA 57 N 5.31 0.25 -1.54 4.11 0.00 -0.19 -4.71 120.51 123.73 1kn0 n ALA 57 Ca -0.12 0.47 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 1kn0 n ALA 57 Cb 0.43 -2.21 -0.09 0.00 0.00 0.00 0.00 19.45 17.59 1kn0 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1kn0 n GLY 58 N 2.77 -0.11 2.18 0.00 0.00 -1.26 -0.99 105.19 107.77 1kn0 n GLY 58 Ca 0.17 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.81 1kn0 n GLY 58 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn0 n GLY 59 N 6.24 2.19 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.36 1kn0 n GLY 59 Ca 0.49 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1kn0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn0 n GLY 60 N 0.00 -2.13 0.00 -0.02 0.00 -0.16 -5.08 105.19 97.80 1kn0 n GLY 60 Ca 0.00 -1.48 0.00 0.00 0.00 0.00 0.00 46.02 44.54 1kn0 n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1kn0 n GLN 61 N -1.13 2.95 -2.90 1.61 3.00 -1.26 -4.29 117.38 115.36 1kn0 n GLN 61 Ca 0.00 0.00 -0.41 0.00 -0.01 0.00 0.00 57.00 56.58 1kn0 n GLN 61 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 1kn0 n GLN 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 1kn0 s LYS 62 N 1.59 4.34 -0.21 -1.09 2.20 -1.26 -1.03 119.74 124.28 1kn0 s LYS 62 Ca 0.00 1.03 -0.06 0.00 -0.36 0.00 0.00 55.97 56.58 1kn0 s LYS 62 Cb 0.00 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1kn0 s LYS 62 CO 0.00 -0.24 0.01 0.08 -0.36 0.00 0.00 175.35 174.84 1kn0 s VAL 63 N 1.84 4.02 0.17 4.02 1.01 -0.46 -4.94 120.40 126.05 1kn0 s VAL 63 Ca 0.39 -0.28 -0.14 0.00 0.00 0.00 0.00 61.98 61.95 1kn0 s VAL 63 Cb -0.17 -2.83 -0.07 0.00 0.00 0.00 0.00 36.38 33.31 1kn0 s VAL 63 CO 0.15 0.41 0.56 0.00 0.00 0.00 0.00 175.10 176.22 1kn0 s TYR 65 N -1.53 -0.24 -0.16 0.00 -0.85 -1.01 -4.96 117.35 108.60 1kn0 s TYR 65 Ca 0.40 -0.19 -0.02 0.00 -0.52 0.00 0.00 57.07 56.74 1kn0 s TYR 65 Cb -0.14 0.69 -0.01 0.00 0.38 0.00 0.00 41.96 42.87 1kn0 s TYR 65 CO 0.19 -1.18 -0.10 0.42 -1.52 0.00 0.00 175.55 173.36 1kn0 s ILE 66 N -3.89 3.20 0.52 -3.49 1.01 -1.26 -0.77 121.20 116.52 1kn0 s ILE 66 Ca 0.10 -0.59 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 1kn0 s ILE 66 Cb -0.05 -2.38 -0.06 0.00 0.01 0.00 0.00 42.46 39.98 1kn0 s ILE 66 CO 0.04 0.49 1.36 -1.61 0.00 0.00 0.00 174.94 175.23 1kn0 s GLU 67 N 0.71 3.30 0.08 2.79 2.02 -1.26 -4.86 118.70 121.48 1kn0 s GLU 67 Ca -0.05 2.25 -0.19 0.00 0.02 0.00 0.00 54.97 57.00 1kn0 s GLU 67 Cb -0.15 -2.36 -0.06 0.00 0.10 0.00 0.00 34.13 31.66 1kn0 s GLU 67 CO 0.02 -1.06 1.32 0.78 0.02 0.00 0.00 175.26 176.33 1kn0 h GLY 68 N 1.69 -1.41 -0.19 -1.39 0.00 -1.98 -1.65 103.07 98.14 1kn0 h GLY 68 Ca -0.51 0.78 0.31 0.00 0.00 0.00 0.00 47.33 47.91 1kn0 h GLY 68 CO 0.58 -0.38 0.78 1.12 0.00 0.00 0.00 176.54 178.64 1kn0 h HIS 69 N -0.22 0.05 0.56 5.60 2.07 -2.00 -0.48 115.15 120.73 1kn0 h HIS 69 Ca 0.04 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.54 1kn0 h HIS 69 Cb 0.34 -0.02 0.01 0.00 2.57 0.00 0.00 27.41 30.31 1kn0 h HIS 69 CO -0.69 0.01 -0.27 0.00 -3.07 0.00 0.00 177.93 173.91 1kn0 h ARG 70 N 0.03 -0.73 -0.51 5.12 2.47 -1.67 -1.83 114.38 117.27 1kn0 h ARG 70 Ca 0.53 0.05 0.08 0.00 -1.26 0.00 0.00 59.98 59.38 1kn0 h ARG 70 Cb 2.05 0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 30.50 1kn0 h ARG 70 CO -0.03 -0.44 0.35 0.28 0.56 0.00 0.00 179.97 180.69 1kn0 h VAL 71 N -0.88 0.91 0.36 2.04 2.07 -0.97 0.31 116.25 120.08 1kn0 h VAL 71 Ca -0.08 -0.12 -0.02 0.00 0.82 0.00 0.00 66.70 67.31 1kn0 h VAL 71 Cb 0.63 0.54 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1kn0 h VAL 71 CO 0.13 0.06 -0.17 0.40 0.02 0.00 0.00 177.57 178.01 1kn0 h ILE 72 N 0.34 0.64 -0.72 4.57 2.04 -1.15 -1.69 117.51 121.53 1kn0 h ILE 72 Ca 0.23 -0.44 -0.01 0.00 1.00 0.00 0.00 64.86 65.65 1kn0 h ILE 72 Cb 0.47 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.37 1kn0 h ILE 72 CO -0.06 0.08 0.42 0.78 0.00 0.00 0.00 178.15 179.38 1kn0 h ASN 73 N -0.74 0.86 -0.20 1.72 2.35 -0.62 -0.06 115.58 118.90 1kn0 h ASN 73 Ca -0.05 -0.05 0.04 0.00 -0.55 0.00 0.00 56.30 55.69 1kn0 h ASN 73 Cb 0.50 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.62 1kn0 h ASN 73 CO 0.08 0.67 -0.06 -0.07 -1.65 0.00 0.00 177.43 176.40 1kn0 h LEU 74 N 0.99 -0.23 -0.57 1.61 3.38 -0.86 -1.19 115.31 118.45 1kn0 h LEU 74 Ca 0.26 0.07 -0.02 0.00 0.09 0.00 0.00 57.88 58.28 1kn0 h LEU 74 Cb -0.02 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1kn0 h LEU 74 CO -0.05 -0.09 0.29 0.00 0.09 0.00 0.00 178.44 178.69 1kn0 h ALA 75 N 1.17 0.73 0.00 1.53 0.00 -0.48 0.14 119.26 122.35 1kn0 h ALA 75 Ca 0.10 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1kn0 h ALA 75 Cb 0.18 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.74 1kn0 h ALA 75 CO -0.22 0.27 -0.08 -0.91 0.00 0.00 0.00 179.25 178.31 1kn0 h ASN 76 N 0.77 0.00 0.06 0.00 2.35 -0.66 -0.93 115.58 117.17 1kn0 h ASN 76 Ca 0.20 0.00 -0.16 0.00 -0.55 0.00 0.00 56.30 55.79 1kn0 h ASN 76 Cb 0.08 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.45 1kn0 h ASN 76 CO -0.03 0.08 -0.79 -0.33 -1.65 0.00 0.00 177.43 174.71 1kn0 h GLU 77 N 0.00 0.13 -0.77 0.81 4.39 -0.42 0.16 114.58 118.88 1kn0 h GLU 77 Ca -0.00 -0.21 0.03 0.00 0.34 0.00 0.00 59.36 59.51 1kn0 h GLU 77 Cb 0.18 0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 1kn0 h GLU 77 CO 0.01 1.10 0.51 0.52 -1.16 0.00 0.00 179.01 179.99 1kn0 h MET 78 N -0.69 0.94 0.00 2.33 2.86 -0.52 -3.33 114.93 116.53 1kn0 h MET 78 Ca -0.18 -0.06 0.00 0.00 -2.06 0.00 0.00 59.70 57.40 1kn0 h MET 78 Cb 1.39 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 32.84 1kn0 h MET 78 CO 0.00 0.62 -0.55 1.19 1.06 0.00 0.00 176.91 179.24 1kn0 n PHE 79 N -4.44 0.00 0.00 -0.22 3.01 -0.37 -4.91 117.46 110.52 1kn0 n PHE 79 Ca 0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.55 1kn0 n PHE 79 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1kn0 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 80 N 1.80 1.21 0.50 1.37 0.00 0.57 -3.35 105.19 107.29 1kn0 n GLY 80 Ca 0.00 -1.60 0.30 0.00 0.00 0.00 0.00 46.02 44.72 1kn0 n GLY 80 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 173.32 173.42 1kn0 h TYR 81 N 0.00 0.00 -0.15 1.61 -0.00 -1.88 0.77 116.97 117.32 1kn0 h TYR 81 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 58.72 1kn0 h TYR 81 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 36.72 1kn0 h TYR 81 CO 0.00 0.00 -0.02 0.27 -0.00 0.00 0.00 178.16 178.41 1kn0 n ASN 82 N -3.88 3.12 -0.00 0.10 6.94 -1.26 -4.60 115.26 115.68 1kn0 n ASN 82 Ca 0.20 -3.11 0.08 0.00 -0.02 0.00 0.00 54.58 51.73 1kn0 n ASN 82 Cb 1.13 -0.50 -0.10 0.00 -2.36 0.00 0.00 39.78 37.95 1kn0 n ASN 82 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kn0 n GLY 83 N -0.95 -0.67 3.11 4.83 0.00 0.26 -4.78 105.19 107.00 1kn0 n GLY 83 Ca 0.20 -0.49 -0.10 0.00 0.00 0.00 0.00 46.02 45.62 1kn0 n GLY 83 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1kn0 s TRP 84 N -2.69 0.71 0.06 1.61 1.48 -1.26 -0.16 118.94 118.69 1kn0 s TRP 84 Ca 0.06 -0.84 -0.18 0.00 -1.06 0.00 0.00 56.10 54.07 1kn0 s TRP 84 Cb 0.13 -0.44 0.04 0.00 -1.16 0.00 0.00 33.47 32.04 1kn0 s TRP 84 CO 0.72 -0.20 0.42 0.00 -4.06 0.00 0.00 176.95 173.84 1kn0 s ALA 85 N -3.10 -1.03 0.02 2.67 0.00 0.23 -4.95 121.76 115.60 1kn0 s ALA 85 Ca 0.04 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.24 1kn0 s ALA 85 Cb 0.02 0.43 -0.01 0.00 0.00 0.00 0.00 23.12 23.55 1kn0 s ALA 85 CO -0.05 -0.50 0.04 -3.38 0.00 0.00 0.00 175.76 171.87 1kn0 s HIS 86 N -2.76 0.20 0.04 0.00 -3.43 -1.26 0.13 115.29 108.21 1kn0 s HIS 86 Ca -0.03 -0.44 -0.00 0.00 -0.80 0.00 0.00 55.06 53.78 1kn0 s HIS 86 Cb -0.00 -0.15 -0.03 0.00 -1.43 0.00 0.00 32.58 30.96 1kn0 s HIS 86 CO -0.04 -0.26 -0.03 -1.54 -2.00 0.00 0.00 174.74 170.86 1kn0 s SER 87 N -1.64 0.47 -0.52 7.38 1.04 -0.07 -4.98 113.70 115.38 1kn0 s SER 87 Ca -0.12 -0.84 -0.20 0.00 0.48 0.00 0.00 55.95 55.27 1kn0 s SER 87 Cb -0.07 0.16 0.06 0.00 0.10 0.00 0.00 66.02 66.27 1kn0 s SER 87 CO -0.01 -0.49 0.66 -0.63 0.98 0.00 0.00 173.24 173.74 1kn0 s ILE 88 N -3.11 4.83 0.16 -1.02 1.01 -1.26 -0.98 121.20 120.82 1kn0 s ILE 88 Ca 0.00 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.06 1kn0 s ILE 88 Cb 0.02 -4.34 0.05 0.00 0.01 0.00 0.00 42.46 38.20 1kn0 s ILE 88 CO -0.07 -0.87 1.65 0.74 0.00 0.00 0.00 174.94 176.40 1kn0 h THR 89 N 5.88 1.26 -1.54 2.92 2.02 -1.11 -3.46 112.91 118.87 1kn0 h THR 89 Ca -0.28 -0.98 0.09 0.00 0.77 0.00 0.00 66.41 66.01 1kn0 h THR 89 Cb 1.09 0.81 -0.24 0.00 -1.74 0.00 0.00 68.15 68.07 1kn0 h THR 89 CO 0.99 0.35 0.55 -1.58 0.37 0.00 0.00 175.52 176.21 1kn0 s GLN 90 N -5.19 0.55 -0.07 6.66 0.74 -1.19 -4.99 119.66 116.16 1kn0 s GLN 90 Ca -0.12 0.22 0.00 0.00 0.05 0.00 0.00 55.36 55.50 1kn0 s GLN 90 Cb 0.12 0.26 0.02 0.00 1.10 0.00 0.00 33.01 34.52 1kn0 s GLN 90 CO 0.82 -0.15 -0.05 -1.14 -0.55 0.00 0.00 175.29 174.22 1kn0 s GLN 91 N -0.84 1.05 -0.12 1.67 0.74 -1.26 0.34 119.66 121.24 1kn0 s GLN 91 Ca -0.00 -0.11 0.02 0.00 0.05 0.00 0.00 55.36 55.32 1kn0 s GLN 91 Cb -0.01 -1.15 0.01 0.00 1.10 0.00 0.00 33.01 32.96 1kn0 s GLN 91 CO -0.01 -0.19 -0.19 1.21 -0.55 0.00 0.00 175.29 175.57 1kn0 s ASN 92 N 1.43 2.81 -0.55 6.67 2.47 0.09 -4.98 114.94 122.88 1kn0 s ASN 92 Ca -0.02 -0.52 -0.28 0.00 0.42 0.00 0.00 52.86 52.45 1kn0 s ASN 92 Cb -0.13 -1.29 0.02 0.00 -1.45 0.00 0.00 41.25 38.40 1kn0 s ASN 92 CO -0.03 0.06 1.36 -0.69 -3.72 0.00 0.00 177.10 174.07 1kn0 s VAL 93 N 0.85 3.86 0.09 -5.21 1.01 -1.26 -1.50 120.40 118.24 1kn0 s VAL 93 Ca -0.08 0.76 -0.22 0.00 0.00 0.00 0.00 61.98 62.45 1kn0 s VAL 93 Cb -0.15 -4.48 -0.13 0.00 0.00 0.00 0.00 36.38 31.62 1kn0 s VAL 93 CO -0.01 -1.15 1.68 0.44 0.00 0.00 0.00 175.10 176.06 1kn0 h ASP 94 N 10.66 0.10 -4.90 3.32 3.32 -1.06 -3.47 116.42 124.38 1kn0 h ASP 94 Ca -0.26 -0.08 0.03 0.00 0.02 0.00 0.00 57.03 56.73 1kn0 h ASP 94 Cb 1.09 -0.03 -0.13 0.00 0.22 0.00 0.00 39.33 40.48 1kn0 h ASP 94 CO 1.17 0.15 0.30 0.72 -1.72 0.00 0.00 179.24 179.86 1kn0 s PHE 95 N -5.87 -0.46 -0.36 4.55 -0.12 -1.10 -4.99 117.98 109.63 1kn0 s PHE 95 Ca -0.13 0.26 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 1kn0 s PHE 95 Cb 0.06 0.56 0.15 0.00 -0.63 0.00 0.00 43.02 43.16 1kn0 s PHE 95 CO 0.68 -0.77 0.28 0.08 -0.05 0.00 0.00 175.22 175.44 1kn0 s VAL 96 N -3.56 -0.08 -0.03 -2.49 1.01 -1.26 -2.44 120.40 111.55 1kn0 s VAL 96 Ca 0.03 -1.36 -0.03 0.00 0.00 0.00 0.00 61.98 60.61 1kn0 s VAL 96 Cb -0.01 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.41 1kn0 s VAL 96 CO -0.11 -0.80 0.15 -1.81 0.00 0.00 0.00 175.10 172.53 1kn0 s ASP 97 N 1.27 6.25 -0.30 3.32 1.01 -0.55 -4.94 116.67 122.72 1kn0 s ASP 97 Ca 0.17 0.34 -0.01 0.00 0.71 0.00 0.00 52.55 53.76 1kn0 s ASP 97 Cb -0.19 -1.95 0.06 0.00 1.01 0.00 0.00 42.92 41.84 1kn0 s ASP 97 CO -0.02 0.30 -0.01 -0.22 0.21 0.00 0.00 175.17 175.43 1kn0 s LEU 98 N -1.69 3.92 -0.33 1.23 2.96 -1.26 -0.38 118.68 123.13 1kn0 s LEU 98 Ca 0.24 -1.37 -0.03 0.00 -0.22 0.00 0.00 54.13 52.75 1kn0 s LEU 98 Cb -0.12 -1.69 0.06 0.00 0.50 0.00 0.00 46.19 44.94 1kn0 s LEU 98 CO 0.14 -0.27 0.06 0.20 -1.32 0.00 0.00 176.35 175.17 1kn0 s ASN 99 N 1.25 5.03 -0.51 3.68 0.01 0.03 -4.82 114.94 119.60 1kn0 s ASN 99 Ca -0.05 -1.46 -0.32 0.00 -0.71 0.00 0.00 52.86 50.33 1kn0 s ASN 99 Cb -0.20 -1.76 0.05 0.00 0.41 0.00 0.00 41.25 39.75 1kn0 s ASN 99 CO -0.02 -0.34 0.66 -0.46 -1.51 0.00 0.00 177.10 175.42 1kn0 n ASN 100 N 4.63 -5.54 0.00 -1.22 6.94 -1.26 -1.74 115.26 117.07 1kn0 n ASN 100 Ca -0.10 -0.25 0.00 0.00 -0.02 0.00 0.00 54.58 54.21 1kn0 n ASN 100 Cb 0.43 -1.87 0.00 0.00 -2.36 0.00 0.00 39.78 35.98 1kn0 n ASN 100 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1kn0 n GLY 101 N -0.43 0.27 3.65 4.83 0.00 -1.26 -4.94 105.19 107.31 1kn0 n GLY 101 Ca -0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.56 1kn0 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kn0 s LYS 102 N -0.31 2.94 -0.14 1.61 1.02 -0.71 -4.34 119.74 119.81 1kn0 s LYS 102 Ca 0.00 -0.44 -0.06 0.00 0.02 0.00 0.00 55.97 55.48 1kn0 s LYS 102 Cb 0.00 -2.75 -0.04 0.00 -0.52 0.00 0.00 37.83 34.52 1kn0 s LYS 102 CO 0.00 0.68 0.08 -0.06 -0.92 0.00 0.00 175.35 175.14 1kn0 s PHE 103 N -0.84 3.37 -0.32 3.18 0.40 -0.46 -0.79 117.98 122.52 1kn0 s PHE 103 Ca 0.13 0.28 0.02 0.00 -0.60 0.00 0.00 56.93 56.76 1kn0 s PHE 103 Cb -0.11 -1.98 0.08 0.00 0.51 0.00 0.00 43.02 41.52 1kn0 s PHE 103 CO 0.02 0.43 0.01 0.71 0.70 0.00 0.00 175.22 177.09 1kn0 s TYR 104 N -0.35 3.54 -0.08 0.36 1.51 0.49 -3.69 117.35 119.13 1kn0 s TYR 104 Ca 0.10 -2.61 0.04 0.00 -1.01 0.00 0.00 57.07 53.58 1kn0 s TYR 104 Cb -0.12 -2.56 -0.01 0.00 -0.11 0.00 0.00 41.96 39.16 1kn0 s TYR 104 CO 0.02 -0.92 -0.19 0.08 -1.11 0.00 0.00 175.55 173.43 1kn0 s VAL 105 N 1.03 2.56 -0.10 0.71 1.01 0.72 -1.49 120.40 124.83 1kn0 s VAL 105 Ca 0.03 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.16 1kn0 s VAL 105 Cb -0.20 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.20 1kn0 s VAL 105 CO -0.06 0.56 -0.16 -0.83 0.00 0.00 0.00 175.10 174.61 1kn0 s GLY 106 N -0.07 1.03 0.01 4.51 0.00 -1.02 -1.95 107.32 109.83 1kn0 s GLY 106 Ca -0.04 -0.70 0.02 0.00 0.00 0.00 0.00 44.72 43.99 1kn0 s GLY 106 CO 0.04 0.11 -0.06 0.14 0.00 0.00 0.00 173.10 173.33 1kn0 s VAL 107 N 0.80 0.48 0.10 1.40 1.01 -0.47 -0.37 120.40 123.35 1kn0 s VAL 107 Ca -0.11 -0.54 0.09 0.00 0.00 0.00 0.00 61.98 61.42 1kn0 s VAL 107 Cb -0.16 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.73 1kn0 s VAL 107 CO 0.01 -0.06 -0.23 0.00 0.00 0.00 0.00 175.10 174.83 1kn0 s ALA 109 N -1.04 -0.00 -0.26 0.00 0.00 -0.49 -0.73 121.76 119.24 1kn0 s ALA 109 Ca 0.09 0.12 -0.09 0.00 0.00 0.00 0.00 51.96 52.08 1kn0 s ALA 109 Cb -0.10 -0.09 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 1kn0 s ALA 109 CO 0.04 -0.04 0.12 -0.06 0.00 0.00 0.00 175.76 175.83 1kn0 s PHE 110 N 0.31 3.16 -0.04 0.00 0.40 0.15 0.22 117.98 122.19 1kn0 s PHE 110 Ca -0.03 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.22 1kn0 s PHE 110 Cb -0.04 -2.29 -0.02 0.00 0.51 0.00 0.00 43.02 41.18 1kn0 s PHE 110 CO -0.01 -0.22 -0.19 0.08 0.70 0.00 0.00 175.22 175.58 1kn0 s VAL 111 N 1.57 2.69 -0.14 -0.44 1.01 -0.57 -0.44 120.40 124.07 1kn0 s VAL 111 Ca 0.06 -0.87 0.02 0.00 0.00 0.00 0.00 61.98 61.19 1kn0 s VAL 111 Cb -0.15 -2.01 0.01 0.00 0.00 0.00 0.00 36.38 34.23 1kn0 s VAL 111 CO 0.07 0.59 -0.20 -0.60 0.00 0.00 0.00 175.10 174.96 1kn0 s ARG 112 N -0.69 2.78 -0.08 2.72 3.52 -0.15 -1.28 118.95 125.76 1kn0 s ARG 112 Ca 0.11 -0.76 -0.04 0.00 -0.13 0.00 0.00 55.73 54.91 1kn0 s ARG 112 Cb -0.10 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 30.94 1kn0 s ARG 112 CO -0.00 -0.08 0.08 0.08 -0.81 0.00 0.00 175.30 174.57 1kn0 s VAL 113 N 0.99 4.89 0.01 7.11 1.01 0.30 -0.89 120.40 133.82 1kn0 s VAL 113 Ca -0.04 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.85 1kn0 s VAL 113 Cb -0.15 -3.13 -0.01 0.00 0.00 0.00 0.00 36.38 33.09 1kn0 s VAL 113 CO -0.04 0.55 -0.04 -1.58 0.00 0.00 0.00 175.10 173.98 1kn0 s GLN 114 N -1.15 0.32 0.31 2.72 0.74 0.34 -1.47 119.66 121.47 1kn0 s GLN 114 Ca 0.16 -0.29 0.04 0.00 0.05 0.00 0.00 55.36 55.33 1kn0 s GLN 114 Cb -0.12 -0.23 -0.02 0.00 1.10 0.00 0.00 33.01 33.74 1kn0 s GLN 114 CO 0.06 0.06 0.46 -0.51 -0.55 0.00 0.00 175.29 174.80 1kn0 s LEU 115 N -0.49 4.10 0.66 3.68 1.43 0.07 0.75 118.68 128.89 1kn0 s LEU 115 Ca -0.02 0.12 0.31 0.00 -1.03 0.00 0.00 54.13 53.50 1kn0 s LEU 115 Cb -0.04 -2.97 1.70 0.00 0.03 0.00 0.00 46.19 44.91 1kn0 s LEU 115 CO -0.00 -0.27 1.96 0.07 0.23 0.00 0.00 176.35 178.34 1kn0 h LYS 116 N 0.93 0.00 -0.02 1.70 2.10 -0.86 -0.88 116.57 119.54 1kn0 h LYS 116 Ca -0.49 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 1kn0 h LYS 116 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1kn0 h LYS 116 CO 0.59 0.00 -0.05 -0.40 -2.00 0.00 0.00 179.45 177.58 1kn0 n ASP 117 N -2.94 1.66 0.00 7.07 5.75 -1.23 0.54 116.55 127.39 1kn0 n ASP 117 Ca -0.02 -1.48 0.00 0.00 -0.01 0.00 0.00 54.79 53.28 1kn0 n ASP 117 Cb 0.36 0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1kn0 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kn0 n GLY 118 N 1.23 2.75 3.62 6.12 0.00 -0.34 -4.74 105.19 113.84 1kn0 n GLY 118 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 1kn0 n GLY 118 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1kn0 n SER 119 N 0.00 1.36 -3.59 1.61 2.88 -1.26 -4.74 113.62 109.87 1kn0 n SER 119 Ca 0.00 1.02 -0.15 0.00 -1.33 0.00 0.00 58.87 58.41 1kn0 n SER 119 Cb 0.00 -1.37 -0.06 0.00 -0.75 0.00 0.00 64.21 62.02 1kn0 n SER 119 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 1kn0 s TYR 120 N -1.29 -0.45 -0.02 0.66 -0.85 -1.26 -0.75 117.35 113.38 1kn0 s TYR 120 Ca 0.64 0.63 -0.01 0.00 -0.52 0.00 0.00 57.07 57.81 1kn0 s TYR 120 Cb -0.54 0.32 0.02 0.00 0.38 0.00 0.00 41.96 42.14 1kn0 s TYR 120 CO 0.56 -0.59 0.05 -1.01 -1.52 0.00 0.00 175.55 173.04 1kn0 s HIS 121 N -1.86 -0.02 0.02 -3.49 3.76 -0.54 -5.00 115.29 108.16 1kn0 s HIS 121 Ca -0.09 0.17 0.07 0.00 -0.15 0.00 0.00 55.06 55.06 1kn0 s HIS 121 Cb -0.01 -0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.51 1kn0 s HIS 121 CO 0.03 -0.08 -0.22 -2.00 -0.85 0.00 0.00 174.74 171.62 1kn0 s GLU 122 N 0.80 1.57 0.35 1.40 2.12 -1.26 -0.54 118.70 123.14 1kn0 s GLU 122 Ca -0.07 -0.91 -0.00 0.00 0.36 0.00 0.00 54.97 54.36 1kn0 s GLU 122 Cb -0.09 -1.63 0.00 0.00 0.26 0.00 0.00 34.13 32.67 1kn0 s GLU 122 CO -0.03 0.43 0.46 -3.47 -0.54 0.00 0.00 175.26 172.11 1kn0 n ASP 123 N 2.07 -1.26 -4.81 -1.70 -0.08 -0.40 -4.92 116.55 105.45 1kn0 n ASP 123 Ca -0.16 -2.98 -0.30 0.00 -1.51 0.00 0.00 54.79 49.83 1kn0 n ASP 123 Cb 0.53 2.42 -0.06 0.00 2.34 0.00 0.00 41.12 46.35 1kn0 n ASP 123 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1kn0 s VAL 124 N -2.92 4.71 0.20 5.18 1.01 -1.26 -1.52 120.40 125.79 1kn0 s VAL 124 Ca 0.32 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.65 1kn0 s VAL 124 Cb -0.00 -3.28 -0.05 0.00 0.00 0.00 0.00 36.38 33.05 1kn0 s VAL 124 CO 0.23 0.12 -0.07 -0.83 0.00 0.00 0.00 175.10 174.54 1kn0 s GLY 125 N -2.43 1.37 -0.04 4.51 0.00 0.13 -4.42 107.32 106.44 1kn0 s GLY 125 Ca 0.30 -1.65 -0.04 0.00 0.00 0.00 0.00 44.72 43.33 1kn0 s GLY 125 CO 0.23 -1.67 0.11 -0.47 0.00 0.00 0.00 173.10 171.30 1kn0 s TYR 126 N -3.26 -0.11 -0.01 1.90 5.04 -1.25 -1.40 117.35 118.27 1kn0 s TYR 126 Ca 0.23 0.26 0.06 0.00 -2.44 0.00 0.00 57.07 55.18 1kn0 s TYR 126 Cb 0.03 0.03 -0.02 0.00 0.35 0.00 0.00 41.96 42.36 1kn0 s TYR 126 CO 0.05 -0.07 -0.20 0.20 -1.34 0.00 0.00 175.55 174.19 1kn0 s GLY 127 N -0.02 1.01 0.05 8.97 0.00 0.55 -3.81 107.32 114.07 1kn0 s GLY 127 Ca -0.01 -0.89 0.03 0.00 0.00 0.00 0.00 44.72 43.85 1kn0 s GLY 127 CO 0.00 -0.74 -0.09 0.14 0.00 0.00 0.00 173.10 172.41 1kn0 s VAL 128 N -0.49 0.65 -0.18 1.40 1.01 -1.26 -1.36 120.40 120.16 1kn0 s VAL 128 Ca 0.08 -1.13 -0.05 0.00 0.00 0.00 0.00 61.98 60.89 1kn0 s VAL 128 Cb -0.08 -0.70 0.09 0.00 0.00 0.00 0.00 36.38 35.69 1kn0 s VAL 128 CO -0.01 -0.35 0.32 -0.55 0.00 0.00 0.00 175.10 174.51 1kn0 s SER 129 N -1.61 0.32 0.00 3.32 0.15 -0.82 -4.48 113.70 110.58 1kn0 s SER 129 Ca -0.08 0.51 0.01 0.00 0.70 0.00 0.00 55.95 57.08 1kn0 s SER 129 Cb -0.10 0.90 -0.00 0.00 -1.71 0.00 0.00 66.02 65.10 1kn0 s SER 129 CO 0.01 -0.26 0.13 -0.62 1.20 0.00 0.00 173.24 173.70 1kn0 n GLU 130 N 5.36 5.22 -0.01 5.44 1.02 -1.26 -0.20 120.64 136.21 1kn0 n GLU 130 Ca -0.06 -0.11 -0.01 0.00 -0.02 0.00 0.00 57.16 56.96 1kn0 n GLU 130 Cb 0.50 -0.63 -0.00 0.00 -0.02 0.00 0.00 31.44 31.29 1kn0 n GLU 130 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1kn0 n GLY 131 N 0.82 -0.45 0.00 0.62 0.00 -1.24 -4.54 105.19 100.40 1kn0 n GLY 131 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1kn0 n GLY 131 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1kn0 n LEU 132 N -2.64 0.00 0.02 0.99 4.77 -1.26 -3.60 117.00 115.28 1kn0 n LEU 132 Ca -0.01 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.08 1kn0 n LEU 132 Cb 0.03 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 1kn0 n LEU 132 CO 0.01 0.00 -0.19 0.29 -1.33 0.00 0.00 177.39 176.17 1kn0 n LYS 133 N 0.00 0.33 -3.21 3.23 5.02 -1.26 -1.36 118.16 120.92 1kn0 n LYS 133 Ca 0.00 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.85 1kn0 n LYS 133 Cb 0.00 -1.57 -0.06 0.00 -0.02 0.00 0.00 35.03 33.38 1kn0 n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kn0 s SER 134 N -3.95 6.61 0.06 4.39 0.15 -1.26 -4.83 113.70 114.86 1kn0 s SER 134 Ca 0.02 0.73 -0.20 0.00 0.70 0.00 0.00 55.95 57.19 1kn0 s SER 134 Cb 0.14 -2.31 -0.12 0.00 -1.71 0.00 0.00 66.02 62.02 1kn0 s SER 134 CO 0.84 -0.20 1.44 0.50 1.20 0.00 0.00 173.24 177.02 1kn0 h LYS 135 N 7.44 0.33 -0.10 5.44 3.64 -1.97 -2.47 116.57 128.87 1kn0 h LYS 135 Ca -0.33 -0.13 0.04 0.00 -1.27 0.00 0.00 60.65 58.96 1kn0 h LYS 135 Cb 1.15 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.91 1kn0 h LYS 135 CO 0.75 0.60 -0.19 0.00 -2.27 0.00 0.00 179.45 178.33 1kn0 h ALA 136 N 0.72 -0.16 0.00 5.00 0.00 -2.00 -1.07 119.26 121.75 1kn0 h ALA 136 Ca 0.04 0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 1kn0 h ALA 136 Cb 0.48 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1kn0 h ALA 136 CO 0.02 -0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 178.35 1kn0 h LEU 137 N -0.26 0.00 -0.17 0.00 4.07 -1.98 0.11 115.31 117.08 1kn0 h LEU 137 Ca 0.09 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 57.97 1kn0 h LEU 137 Cb 0.39 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.13 1kn0 h LEU 137 CO -0.26 0.19 -0.22 0.28 -1.08 0.00 0.00 178.44 177.35 1kn0 h SER 138 N 0.00 0.48 0.15 -0.43 0.02 -0.83 -2.20 113.55 110.75 1kn0 h SER 138 Ca -0.00 -0.51 -0.01 0.00 -0.84 0.00 0.00 61.79 60.43 1kn0 h SER 138 Cb 0.37 -0.14 0.00 0.00 0.14 0.00 0.00 62.40 62.77 1kn0 h SER 138 CO 0.02 0.90 -0.07 -0.07 -1.14 0.00 0.00 176.83 176.47 1kn0 h LEU 139 N 0.08 -0.18 -0.83 5.07 3.38 -0.92 -0.97 115.31 120.94 1kn0 h LEU 139 Ca 0.02 -0.23 0.20 0.00 0.09 0.00 0.00 57.88 57.97 1kn0 h LEU 139 Cb 0.78 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.45 1kn0 h LEU 139 CO 0.05 0.14 0.24 -0.08 0.09 0.00 0.00 178.44 178.88 1kn0 h GLU 140 N -0.51 0.26 -0.14 1.13 4.81 -1.03 0.25 114.58 119.34 1kn0 h GLU 140 Ca -0.02 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.16 1kn0 h GLU 140 Cb 0.39 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1kn0 h GLU 140 CO 0.03 0.17 -0.03 -0.22 -0.73 0.00 0.00 179.01 178.23 1kn0 h LYS 141 N 0.27 0.28 -0.33 1.92 3.64 -1.22 -2.36 116.57 118.76 1kn0 h LYS 141 Ca 0.50 -0.10 -0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1kn0 h LYS 141 Cb 0.95 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.74 1kn0 h LYS 141 CO -0.58 0.56 0.09 0.00 -2.27 0.00 0.00 179.45 177.24 1kn0 h ALA 142 N 0.71 0.43 -0.07 5.00 0.00 0.25 -1.49 119.26 124.10 1kn0 h ALA 142 Ca 0.04 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 1kn0 h ALA 142 Cb 0.45 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1kn0 h ALA 142 CO 0.01 0.09 0.03 0.00 0.00 0.00 0.00 179.25 179.38 1kn0 h ARG 143 N 0.38 0.09 -0.37 0.00 3.08 -0.63 -1.38 114.38 115.54 1kn0 h ARG 143 Ca 0.10 -0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 1kn0 h ARG 143 Cb 0.28 -0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.29 1kn0 h ARG 143 CO -0.00 0.19 0.09 0.87 -1.07 0.00 0.00 179.97 180.05 1kn0 h LYS 144 N -0.02 0.59 -0.37 0.04 1.57 -1.43 -2.81 116.57 114.14 1kn0 h LYS 144 Ca 0.02 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1kn0 h LYS 144 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1kn0 h LYS 144 CO -0.00 0.62 0.20 0.93 -0.57 0.00 0.00 179.45 180.63 1kn0 h GLU 145 N 0.45 0.52 -1.00 3.15 5.08 -1.25 -2.21 114.58 119.32 1kn0 h GLU 145 Ca 0.12 -0.07 0.15 0.00 -1.00 0.00 0.00 59.36 58.56 1kn0 h GLU 145 Cb 0.30 -0.10 -0.10 0.00 0.50 0.00 0.00 28.75 29.35 1kn0 h GLU 145 CO 0.00 0.44 0.61 0.00 -1.00 0.00 0.00 179.01 179.07 1kn0 h ALA 146 N 1.05 1.58 0.07 3.43 0.00 -1.15 0.32 119.26 124.56 1kn0 h ALA 146 Ca 0.13 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kn0 h ALA 146 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.72 1kn0 h ALA 146 CO -0.02 0.09 -0.03 0.28 0.00 0.00 0.00 179.25 179.57 1kn0 h VAL 147 N 0.88 1.20 -0.44 0.00 2.07 -1.24 0.06 116.25 118.78 1kn0 h VAL 147 Ca 0.53 -1.01 0.02 0.00 0.82 0.00 0.00 66.70 67.06 1kn0 h VAL 147 Cb 0.68 1.85 -0.03 0.00 -1.52 0.00 0.00 31.29 32.27 1kn0 h VAL 147 CO -0.32 0.25 0.25 0.74 0.02 0.00 0.00 177.57 178.50 1kn0 h THR 148 N -0.56 1.03 -0.75 2.57 2.02 -0.89 0.17 112.91 116.49 1kn0 h THR 148 Ca -0.01 -0.17 0.06 0.00 0.77 0.00 0.00 66.41 67.06 1kn0 h THR 148 Cb 0.48 0.48 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 1kn0 h THR 148 CO 0.02 0.09 0.45 -0.78 0.37 0.00 0.00 175.52 175.66 1kn0 h ASP 149 N 0.50 0.68 -0.22 4.18 3.58 -0.38 0.50 116.42 125.26 1kn0 h ASP 149 Ca 0.18 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1kn0 h ASP 149 Cb 0.03 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.96 1kn0 h ASP 149 CO -0.09 0.44 0.13 1.23 -2.88 0.00 0.00 179.24 178.07 1kn0 h GLY 150 N 0.81 0.32 0.92 -0.78 0.00 0.17 -0.32 103.07 104.19 1kn0 h GLY 150 Ca 0.33 -0.13 0.02 0.00 0.00 0.00 0.00 47.33 47.55 1kn0 h GLY 150 CO -0.18 0.13 0.40 -2.00 0.00 0.00 0.00 176.54 174.88 1kn0 h LEU 151 N 0.27 0.66 -0.07 3.11 5.85 0.18 -0.88 115.31 124.43 1kn0 h LEU 151 Ca 0.08 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.79 1kn0 h LEU 151 Cb 0.01 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1kn0 h LEU 151 CO -0.01 0.47 0.03 0.11 -0.34 0.00 0.00 178.44 178.69 1kn0 h LYS 152 N 0.79 0.11 -0.31 1.25 1.57 -0.64 -1.10 116.57 118.23 1kn0 h LYS 152 Ca 0.24 -0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1kn0 h LYS 152 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 1kn0 h LYS 152 CO -0.08 0.23 0.19 0.00 -0.57 0.00 0.00 179.45 179.22 1kn0 h ARG 153 N -0.04 0.42 0.01 3.15 3.08 -0.80 -1.76 114.38 118.44 1kn0 h ARG 153 Ca 0.02 -0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 153 Cb 0.16 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1kn0 h ARG 153 CO -0.00 0.29 -0.01 0.00 -1.07 0.00 0.00 179.97 179.19 1kn0 h ALA 154 N 1.78 -0.01 -0.58 0.04 0.00 -0.74 -3.11 119.26 116.64 1kn0 h ALA 154 Ca 0.11 -0.22 0.09 0.00 0.00 0.00 0.00 54.91 54.89 1kn0 h ALA 154 Cb -0.02 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1kn0 h ALA 154 CO -0.02 -0.28 0.39 -0.07 0.00 0.00 0.00 179.25 179.27 1kn0 h LEU 155 N -0.46 0.38 -1.96 0.00 3.38 -0.87 -1.24 115.31 114.54 1kn0 h LEU 155 Ca -0.00 0.01 0.16 0.00 0.09 0.00 0.00 57.88 58.14 1kn0 h LEU 155 Cb 0.45 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.10 1kn0 h LEU 155 CO 0.00 0.23 0.51 0.03 0.09 0.00 0.00 178.44 179.30 1kn0 h ARG 156 N 0.43 0.00 0.00 1.13 3.08 -1.25 0.64 114.38 118.40 1kn0 h ARG 156 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 1kn0 h ARG 156 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1kn0 h ARG 156 CO -0.07 0.00 0.00 0.43 -1.07 0.00 0.00 179.97 179.26 1kn0 n SER 157 N -3.92 0.50 0.17 7.04 7.64 -0.47 -2.64 113.62 121.94 1kn0 n SER 157 Ca 0.11 0.65 0.11 0.00 1.01 0.00 0.00 58.87 60.74 1kn0 n SER 157 Cb 0.73 -0.74 0.09 0.00 -1.01 0.00 0.00 64.21 63.27 1kn0 n SER 157 CO 0.00 0.00 0.00 -0.26 -3.01 0.00 0.00 175.04 171.77 1kn0 h PHE 158 N 0.00 0.00 0.00 1.43 -1.00 -1.05 -3.50 116.94 112.82 1kn0 h PHE 158 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1kn0 h PHE 158 Cb 0.26 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.82 1kn0 h PHE 158 CO 0.00 0.05 0.00 0.41 -1.61 0.00 0.00 178.31 177.16 1kn0 n GLY 159 N 1.15 0.52 0.32 -1.45 0.00 -1.08 -4.94 105.19 99.71 1kn0 n GLY 159 Ca 0.02 -1.49 -0.02 0.00 0.00 0.00 0.00 46.02 44.52 1kn0 n GLY 159 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1kn0 h ASN 160 N 0.00 0.83 -0.02 1.61 2.35 -1.60 -2.05 115.58 116.69 1kn0 h ASN 160 Ca 0.00 -0.11 0.01 0.00 -0.55 0.00 0.00 56.30 55.64 1kn0 h ASN 160 Cb 0.00 -0.21 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 1kn0 h ASN 160 CO 0.00 0.75 0.11 0.00 -1.65 0.00 0.00 177.43 176.63 1kn0 h ALA 161 N 1.37 1.22 -0.35 -0.83 0.00 0.16 -0.07 119.26 120.76 1kn0 h ALA 161 Ca 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1kn0 h ALA 161 Cb 0.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kn0 h ALA 161 CO -0.02 -0.12 0.00 1.28 0.00 0.00 0.00 179.25 180.39 1kn0 n LEU 162 N -3.18 3.62 0.00 0.00 4.77 -0.86 -4.91 117.00 116.45 1kn0 n LEU 162 Ca -0.02 -2.51 0.00 0.00 -0.03 0.00 0.00 56.01 53.45 1kn0 n LEU 162 Cb 0.18 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1kn0 n LEU 162 CO 0.20 0.72 0.00 0.61 -1.33 0.00 0.00 177.39 177.58 1kn0 n GLY 163 N 0.16 0.90 0.24 -0.72 0.00 -0.04 -3.95 105.19 101.78 1kn0 n GLY 163 Ca 0.18 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.36 1kn0 n GLY 163 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1kn0 h ASN 164 N 0.00 0.00 0.47 1.61 -1.24 -1.42 -2.31 115.58 112.69 1kn0 h ASN 164 Ca 0.00 0.00 -0.23 0.00 0.71 0.00 0.00 56.30 56.78 1kn0 h ASN 164 Cb 0.00 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.05 1kn0 h ASN 164 CO 0.00 0.00 -1.01 0.00 -1.29 0.00 0.00 177.43 175.13 1kn0 h ILE 166 N 0.16 0.05 0.14 0.00 6.09 -1.74 0.76 117.51 122.96 1kn0 h ILE 166 Ca -0.09 0.00 -0.33 0.00 -1.37 0.00 0.00 64.86 63.07 1kn0 h ILE 166 Cb 1.67 0.16 -0.01 0.00 0.47 0.00 0.00 36.82 39.11 1kn0 h ILE 166 CO 0.17 0.00 -1.71 -0.07 -3.07 0.00 0.00 178.15 173.47 1kn0 h LEU 167 N 0.00 0.45 -9.29 2.19 3.38 -1.75 -3.47 115.31 106.81 1kn0 h LEU 167 Ca 0.23 -0.71 -0.62 0.00 0.09 0.00 0.00 57.88 56.86 1kn0 h LEU 167 Cb 2.10 -0.15 0.02 0.00 0.09 0.00 0.00 40.66 42.73 1kn0 h LEU 167 CO -0.00 1.61 1.05 -0.67 0.09 0.00 0.00 178.44 180.52 1kn0 n ASP 168 N -3.48 3.34 -0.08 -0.43 -0.08 0.26 -4.89 116.55 111.20 1kn0 n ASP 168 Ca -0.22 0.99 -0.12 0.00 -1.51 0.00 0.00 54.79 53.93 1kn0 n ASP 168 Cb 1.06 -1.36 -0.05 0.00 2.34 0.00 0.00 41.12 43.11 1kn0 n ASP 168 CO 0.00 0.00 0.00 0.11 0.12 0.00 0.00 177.20 177.43 1kn0 h LYS 169 N 8.69 0.47 -0.90 -0.67 1.57 -1.90 -2.28 116.57 121.54 1kn0 h LYS 169 Ca -0.48 -0.18 0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1kn0 h LYS 169 Cb 1.27 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.49 1kn0 h LYS 169 CO 0.94 0.69 0.58 -0.44 -0.57 0.00 0.00 179.45 180.65 1kn0 h ASP 170 N 0.21 0.86 0.02 0.86 3.32 -1.95 -1.54 116.42 118.19 1kn0 h ASP 170 Ca 0.06 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1kn0 h ASP 170 Cb 0.51 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1kn0 h ASP 170 CO 0.02 0.52 -0.01 0.22 -1.72 0.00 0.00 179.24 178.28 1kn0 h TYR 171 N 0.96 -0.02 -0.15 4.55 3.20 -1.84 -2.79 116.97 120.88 1kn0 h TYR 171 Ca 0.41 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.32 1kn0 h TYR 171 Cb 0.32 0.01 -0.05 0.00 1.54 0.00 0.00 36.73 38.55 1kn0 h TYR 171 CO -0.00 0.10 -0.13 -0.07 -1.64 0.00 0.00 178.16 176.42 1kn0 h LEU 172 N -0.14 -0.41 -0.76 2.82 3.38 -0.73 -1.93 115.31 117.55 1kn0 h LEU 172 Ca -0.00 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.16 1kn0 h LEU 172 Cb 0.13 0.21 -0.08 0.00 0.09 0.00 0.00 40.66 41.01 1kn0 h LEU 172 CO 0.00 -0.17 0.37 0.03 0.09 0.00 0.00 178.44 178.77 1kn0 h ARG 173 N -0.14 0.58 0.00 1.13 3.08 -1.31 0.40 114.38 118.12 1kn0 h ARG 173 Ca 0.10 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1kn0 h ARG 173 Cb 0.29 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.21 1kn0 h ARG 173 CO -0.24 0.39 0.00 0.77 -1.07 0.00 0.00 179.97 179.81 1kn0 h SER 174 N 0.60 0.00 0.19 7.04 0.02 -1.08 -2.23 113.55 118.09 1kn0 h SER 174 Ca 0.39 0.00 -0.27 0.00 -0.84 0.00 0.00 61.79 61.07 1kn0 h SER 174 Cb 0.47 0.00 0.03 0.00 0.14 0.00 0.00 62.40 63.04 1kn0 h SER 174 CO -0.31 0.00 -1.17 -0.07 -1.14 0.00 0.00 176.83 174.14 1kn0 h LEU 175 N 0.00 0.69 -0.96 5.07 3.38 0.30 -3.30 115.31 120.50 1kn0 h LEU 175 Ca 0.00 -0.92 -0.05 0.00 0.09 0.00 0.00 57.88 57.00 1kn0 h LEU 175 Cb 0.12 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1kn0 h LEU 175 CO 0.00 1.56 0.20 0.78 0.09 0.00 0.00 178.44 181.08 1kn0 h ASN 176 N -0.06 0.89 0.00 -0.43 2.35 -1.11 -2.03 115.58 115.19 1kn0 h ASN 176 Ca -0.20 -0.15 0.00 0.00 -0.55 0.00 0.00 56.30 55.40 1kn0 h ASN 176 Cb 1.92 -0.23 0.00 0.00 0.05 0.00 0.00 38.32 40.06 1kn0 h ASN 176 CO 0.22 0.83 0.00 0.29 -1.65 0.00 0.00 177.43 177.12 1kn0 n LYS 177 N -4.28 0.52 -4.35 0.81 5.02 -1.03 -4.73 118.16 110.12 1kn0 n LYS 177 Ca 0.05 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.10 1kn0 n LYS 177 Cb 0.21 -1.26 -0.12 0.00 -0.02 0.00 0.00 35.03 33.84 1kn0 n LYS 177 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1kn0 s LEU 178 N -0.01 2.41 -0.41 -0.35 1.43 -0.77 -5.06 118.68 115.92 1kn0 s LEU 178 Ca 0.00 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1kn0 s LEU 178 Cb 0.00 -0.94 -0.09 0.00 0.03 0.00 0.00 46.19 45.19 1kn0 s LEU 178 CO 0.00 0.03 2.33 -2.65 0.23 0.00 0.00 176.35 176.29 1kn0 n PRO 179 N 0.44 1.26 -1.68 1.29 -0.02 -1.26 -4.80 135.00 130.23 1kn0 n PRO 179 Ca -0.14 0.23 -0.17 0.00 -2.02 0.00 0.00 63.50 61.40 1kn0 n PRO 179 Cb 0.56 -3.02 -0.10 0.00 -0.02 0.00 0.00 33.50 30.92 1kn0 n PRO 179 CO 0.00 0.00 0.00 0.50 1.98 0.00 0.00 175.50 177.98 1kn0 s ARG 180 N 7.29 1.39 0.94 -0.52 3.00 -1.26 -4.89 118.95 124.90 1kn0 s ARG 180 Ca 1.05 -0.52 -0.11 0.00 -1.00 0.00 0.00 55.73 55.14 1kn0 s ARG 180 Cb -0.46 -5.02 0.11 0.00 0.00 0.00 0.00 34.95 29.58 1kn0 s ARG 180 CO 0.36 -5.25 0.84 0.00 0.00 0.00 0.00 175.30 171.25 1kn0 n GLN 181 N 8.21 -0.48 -3.82 5.12 10.64 -1.26 -5.02 117.38 130.77 1kn0 n GLN 181 Ca 0.42 -0.08 -0.31 0.00 -1.83 0.00 0.00 57.00 55.19 1kn0 n GLN 181 Cb 0.47 -2.16 -0.04 0.00 -0.86 0.00 0.00 30.24 27.64 1kn0 n GLN 181 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1kn0 s LEU 182 N -4.45 4.32 0.12 2.61 2.96 -1.26 -5.03 118.68 117.95 1kn0 s LEU 182 Ca 0.63 0.40 -0.26 0.00 -0.22 0.00 0.00 54.13 54.68 1kn0 s LEU 182 Cb -0.22 -3.10 -0.15 0.00 0.50 0.00 0.00 46.19 43.22 1kn0 s LEU 182 CO 0.62 0.12 0.56 -2.65 -1.32 0.00 0.00 176.35 173.69 1kn0 n PRO 183 N 0.21 0.00 -2.54 0.98 -0.02 -1.26 -4.89 135.00 127.48 1kn0 n PRO 183 Ca -0.04 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.05 1kn0 n PRO 183 Cb 0.51 -0.95 -0.05 0.00 -0.02 0.00 0.00 33.50 33.00 1kn0 n PRO 183 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1kn0 s LEU 184 N 1.73 4.49 -0.01 2.45 2.01 -1.26 -5.01 118.68 123.07 1kn0 s LEU 184 Ca 0.59 2.17 -0.26 0.00 0.01 0.00 0.00 54.13 56.64 1kn0 s LEU 184 Cb -0.85 -3.73 -0.04 0.00 0.01 0.00 0.00 46.19 41.58 1kn0 s LEU 184 CO 0.46 -0.15 0.81 -0.70 1.01 0.00 0.00 176.35 177.78 1kn0 s GLU 185 N -1.60 4.50 -0.38 1.70 2.12 -1.26 -5.02 118.70 118.75 1kn0 s GLU 185 Ca 0.46 1.11 -0.18 0.00 0.36 0.00 0.00 54.97 56.73 1kn0 s GLU 185 Cb -0.29 -3.43 0.01 0.00 0.26 0.00 0.00 34.13 30.68 1kn0 s GLU 185 CO 0.37 0.08 0.49 0.08 -0.54 0.00 0.00 175.26 175.75 1kn0 s VAL 186 N 0.64 5.02 -0.63 3.70 1.01 -1.26 -5.02 120.40 123.86 1kn0 s VAL 186 Ca 0.43 0.08 -0.28 0.00 0.00 0.00 0.00 61.98 62.21 1kn0 s VAL 186 Cb -0.20 -4.01 0.03 0.00 0.00 0.00 0.00 36.38 32.21 1kn0 s VAL 186 CO 0.23 -0.32 1.20 -0.62 0.00 0.00 0.00 175.10 175.59 1kn0 s ASP 187 N 1.81 6.35 -0.28 3.32 2.15 -1.26 -4.89 116.67 123.88 1kn0 s ASP 187 Ca 0.17 -0.10 0.04 0.00 0.43 0.00 0.00 52.55 53.09 1kn0 s ASP 187 Cb -0.16 -2.55 0.49 0.00 -0.30 0.00 0.00 42.92 40.40 1kn0 s ASP 187 CO 0.14 -1.58 1.58 0.18 -0.17 0.00 0.00 175.17 175.33 1kn0 n LEU 188 N 8.66 5.32 -0.03 -1.34 4.77 -1.26 -4.46 117.00 128.67 1kn0 n LEU 188 Ca 0.06 -2.79 -0.15 0.00 -0.03 0.00 0.00 56.01 53.10 1kn0 n LEU 188 Cb 0.49 -0.71 -0.10 0.00 -2.33 0.00 0.00 43.42 40.77 1kn0 n LEU 188 CO 0.71 0.80 0.41 0.71 -1.33 0.00 0.00 177.39 178.69 1kn0 h THR 189 N 1.14 1.44 -0.66 -5.08 1.35 -2.04 -3.20 112.91 105.86 1kn0 h THR 189 Ca 0.35 -1.80 -0.27 0.00 -0.55 0.00 0.00 66.41 64.13 1kn0 h THR 189 Cb 2.14 2.43 -0.16 0.00 -1.73 0.00 0.00 68.15 70.83 1kn0 h THR 189 CO 0.68 0.51 0.34 0.29 -0.25 0.00 0.00 175.52 177.10 1kn0 n LYS 190 N -4.41 2.57 -2.36 4.72 5.02 -1.26 -4.96 118.16 117.48 1kn0 n LYS 190 Ca -0.09 -2.31 -0.38 0.00 -2.02 0.00 0.00 58.31 53.51 1kn0 n LYS 190 Cb 0.52 -1.95 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 1kn0 n LYS 190 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1kn0 s ALA 191 N -2.45 3.16 0.14 7.82 0.00 -1.21 -4.96 121.76 124.27 1kn0 s ALA 191 Ca 0.43 0.90 -0.31 0.00 0.00 0.00 0.00 51.96 52.97 1kn0 s ALA 191 Cb 0.35 -3.35 -0.10 0.00 0.00 0.00 0.00 23.12 20.02 1kn0 s ALA 191 CO 0.09 -0.43 1.66 0.21 0.00 0.00 0.00 175.76 177.30 1kn0 s LYS 192 N -2.26 4.18 0.00 0.00 2.20 -1.26 -4.90 119.74 117.70 1kn0 s LYS 192 Ca 0.56 2.44 0.03 0.00 -0.36 0.00 0.00 55.97 58.63 1kn0 s LYS 192 Cb -0.29 -3.33 -0.01 0.00 -1.51 0.00 0.00 37.83 32.69 1kn0 s LYS 192 CO 0.36 -0.70 0.26 0.54 -0.36 0.00 0.00 175.35 175.45 1kn0 n ARG 193 N 4.67 4.03 -3.87 4.03 1.74 -1.26 -5.05 116.66 120.94 1kn0 n ARG 193 Ca 0.15 -0.21 -0.09 0.00 -0.77 0.00 0.00 57.85 56.93 1kn0 n ARG 193 Cb 0.38 -0.75 -0.07 0.00 -1.02 0.00 0.00 32.46 31.00 1kn0 n ARG 193 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1kn0 s GLN 194 N -0.91 1.05 0.04 5.56 1.03 -1.26 -5.11 119.66 120.06 1kn0 s GLN 194 Ca 0.02 -1.02 -0.27 0.00 0.04 0.00 0.00 55.36 54.12 1kn0 s GLN 194 Cb 0.02 0.39 -0.15 0.00 0.03 0.00 0.00 33.01 33.29 1kn0 s GLN 194 CO 0.08 -0.38 1.38 -0.44 -2.54 0.00 0.00 175.29 173.39 1kn0 h ASP 195 N 2.57 -0.84 -2.18 12.60 3.32 -2.05 -3.46 116.42 126.38 1kn0 h ASP 195 Ca -0.33 0.03 -0.58 0.00 0.02 0.00 0.00 57.03 56.17 1kn0 h ASP 195 Cb 1.22 0.22 0.20 0.00 0.22 0.00 0.00 39.33 41.19 1kn0 h ASP 195 CO 0.50 -0.59 -1.23 -0.11 -1.72 0.00 0.00 179.24 176.09 1kn0 n LEU 196 N -4.72 -3.62 -3.33 1.55 7.94 -1.26 -4.99 117.00 108.57 1kn0 n LEU 196 Ca -0.12 0.52 -0.23 0.00 -1.11 0.00 0.00 56.01 55.07 1kn0 n LEU 196 Cb 0.39 -0.88 -0.09 0.00 0.53 0.00 0.00 43.42 43.37 1kn0 n LEU 196 CO 0.30 -4.87 -0.24 -1.61 -1.11 0.00 0.00 177.39 169.86 1kn0 s GLU 197 N -1.53 0.80 0.21 1.96 0.41 -1.26 -5.03 118.70 114.25 1kn0 s GLU 197 Ca 0.54 -1.59 -0.13 0.00 -0.41 0.00 0.00 54.97 53.38 1kn0 s GLU 197 Cb -0.39 -1.10 0.24 0.00 -1.78 0.00 0.00 34.13 31.10 1kn0 s GLU 197 CO 0.69 -1.31 1.65 -1.35 -0.49 0.00 0.00 175.26 174.45 1kn0 h PRO 198 N 6.12 0.05 -0.28 0.39 0.11 -1.97 0.35 132.00 136.77 1kn0 h PRO 198 Ca 0.16 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 66.33 1kn0 h PRO 198 Cb 0.97 -0.01 -0.07 0.00 0.11 0.00 0.00 31.00 32.00 1kn0 h PRO 198 CO 0.27 0.03 -0.21 1.03 -0.21 0.00 0.00 178.00 178.91 1kn0 h SER 199 N 0.05 -0.70 0.41 -2.05 0.87 -2.00 0.18 113.55 110.31 1kn0 h SER 199 Ca 0.30 0.14 -0.02 0.00 -1.23 0.00 0.00 61.79 60.97 1kn0 h SER 199 Cb 0.47 0.34 0.00 0.00 -0.44 0.00 0.00 62.40 62.78 1kn0 h SER 199 CO -0.56 -0.25 -0.20 0.58 -0.53 0.00 0.00 176.83 175.87 1kn0 h VAL 200 N -0.20 0.55 -1.11 2.23 2.07 -1.71 -2.79 116.25 115.29 1kn0 h VAL 200 Ca 0.15 -0.43 0.31 0.00 0.82 0.00 0.00 66.70 67.55 1kn0 h VAL 200 Cb 0.43 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.87 1kn0 h VAL 200 CO -0.40 0.07 0.77 -0.08 0.02 0.00 0.00 177.57 177.95 1kn0 h GLU 201 N -0.82 0.15 0.36 1.57 4.57 -0.05 -0.89 114.58 119.46 1kn0 h GLU 201 Ca -0.06 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.10 1kn0 h GLU 201 Cb 0.54 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1kn0 h GLU 201 CO 0.09 0.10 -0.17 1.49 -1.18 0.00 0.00 179.01 179.34 1kn0 h GLU 202 N 0.15 -0.46 -0.97 1.92 4.81 -0.86 -2.63 114.58 116.53 1kn0 h GLU 202 Ca 0.57 0.03 0.25 0.00 -0.13 0.00 0.00 59.36 60.08 1kn0 h GLU 202 Cb 1.94 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 31.30 1kn0 h GLU 202 CO -0.13 -0.31 0.54 0.00 -0.73 0.00 0.00 179.01 178.38 1kn0 h ALA 203 N -1.29 1.71 -0.10 2.92 0.00 -1.03 -0.92 119.26 120.55 1kn0 h ALA 203 Ca -0.05 0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1kn0 h ALA 203 Cb 0.37 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.22 1kn0 h ALA 203 CO 0.08 -0.32 0.03 -0.09 0.00 0.00 0.00 179.25 178.95 1kn0 h ARG 204 N 0.51 0.15 -0.95 0.00 2.43 -1.27 -2.64 114.38 112.61 1kn0 h ARG 204 Ca 0.63 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.84 1kn0 h ARG 204 Cb 1.22 -0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.68 1kn0 h ARG 204 CO -0.50 0.31 0.60 -0.92 -1.51 0.00 0.00 179.97 177.95 1kn0 h TYR 205 N -0.04 1.11 0.00 2.20 3.20 -0.80 0.23 116.97 122.88 1kn0 h TYR 205 Ca 0.03 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.93 1kn0 h TYR 205 Cb 0.22 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.13 1kn0 h TYR 205 CO -0.00 0.55 0.00 0.09 -1.64 0.00 0.00 178.16 177.16 1kn0 n ASN 206 N -4.56 0.00 -0.75 -2.11 3.02 -0.80 -2.44 115.26 107.62 1kn0 n ASN 206 Ca 0.15 -0.67 0.12 0.00 -0.03 0.00 0.00 54.58 54.16 1kn0 n ASN 206 Cb 0.20 -0.03 0.32 0.00 -0.61 0.00 0.00 39.78 39.66 1kn0 n ASN 206 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1kn0 n SER 207 N -1.03 2.30 -0.49 6.41 2.88 0.81 -5.08 113.62 119.42 1kn0 n SER 207 Ca 0.17 -1.77 0.06 0.00 -1.33 0.00 0.00 58.87 56.00 1kn0 n SER 207 Cb 0.09 -0.05 0.05 0.00 -0.75 0.00 0.00 64.21 63.55 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81