#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 3.83 0.00 0.00 5.36 -1.26 -0.82 117.98 125.09 1kn0 s PHE 26 Ca 0.00 1.65 0.00 0.00 -0.96 0.00 0.00 56.93 57.62 1kn0 s PHE 26 Cb 0.00 -2.89 0.00 0.00 -0.34 0.00 0.00 43.02 39.79 1kn0 s PHE 26 CO 0.00 0.33 0.00 0.41 -1.46 0.00 0.00 175.22 174.50 1kn0 n GLY 27 N 2.07 3.02 0.09 13.12 0.00 0.31 -4.76 105.19 119.04 1kn0 n GLY 27 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 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 -1.40 0.51 -1.48 1.61 1.13 -1.15 -4.00 117.38 112.59 1kn0 n GLN 28 Ca 0.00 0.44 -0.48 0.00 -1.94 0.00 0.00 57.00 55.03 1kn0 n GLN 28 Cb 0.00 -1.63 -0.03 0.00 0.11 0.00 0.00 30.24 28.69 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 -1.04 3.01 0.43 0.00 -0.21 -1.26 -3.19 119.66 117.40 1kn0 s GLN 30 Ca 0.65 -0.67 -0.26 0.00 0.02 0.00 0.00 55.36 55.11 1kn0 s GLN 30 Cb -0.88 -2.55 -0.09 0.00 1.00 0.00 0.00 33.01 30.50 1kn0 s GLN 30 CO 0.57 0.41 1.42 0.71 -2.12 0.00 0.00 175.29 176.28 1kn0 s TYR 31 N -0.17 2.53 0.50 0.91 1.51 -1.26 -5.00 117.35 116.36 1kn0 s TYR 31 Ca 0.00 1.26 -0.08 0.00 -1.01 0.00 0.00 57.07 57.25 1kn0 s TYR 31 Cb -0.13 -3.91 -0.04 0.00 -0.11 0.00 0.00 41.96 37.77 1kn0 s TYR 31 CO 0.03 -2.83 0.84 0.95 -1.11 0.00 0.00 175.55 173.43 1kn0 s THR 32 N -1.19 4.83 0.30 -0.71 -4.23 -1.26 -4.84 115.64 108.53 1kn0 s THR 32 Ca 0.59 0.46 0.04 0.00 -1.18 0.00 0.00 61.69 61.60 1kn0 s THR 32 Cb -0.44 -3.83 0.29 0.00 1.34 0.00 0.00 72.50 69.87 1kn0 s THR 32 CO 0.57 -0.84 1.80 0.00 -0.54 0.00 0.00 174.62 175.61 1kn0 h ALA 33 N 0.35 1.62 0.27 3.99 0.00 -1.99 0.21 119.26 123.71 1kn0 h ALA 33 Ca -0.46 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1kn0 h ALA 33 Cb 1.20 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1kn0 h ALA 33 CO 0.62 0.06 -0.13 0.93 0.00 0.00 0.00 179.25 180.73 1kn0 h GLU 34 N 0.85 -0.35 -0.62 0.00 3.07 -2.00 -2.02 114.58 113.52 1kn0 h GLU 34 Ca 0.55 0.02 -0.05 0.00 -0.50 0.00 0.00 59.36 59.38 1kn0 h GLU 34 Cb 0.74 0.08 -0.03 0.00 -0.84 0.00 0.00 28.75 28.70 1kn0 h GLU 34 CO -0.33 -0.08 0.20 1.49 -1.40 0.00 0.00 179.01 178.89 1kn0 h GLU 35 N -0.59 0.96 0.22 2.33 4.81 -1.83 -1.81 114.58 118.67 1kn0 h GLU 35 Ca -0.04 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.00 1kn0 h GLU 35 Cb 0.43 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1kn0 h GLU 35 CO 0.06 0.85 -0.36 -0.92 -0.73 0.00 0.00 179.01 177.91 1kn0 h TYR 36 N 0.89 -0.99 -0.44 0.92 3.20 -0.58 -1.31 116.97 118.66 1kn0 h TYR 36 Ca 0.20 0.02 0.04 0.00 3.14 0.00 0.00 58.73 62.13 1kn0 h TYR 36 Cb 0.29 0.41 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 1kn0 h TYR 36 CO 0.02 -0.48 0.20 0.37 -1.64 0.00 0.00 178.16 176.62 1kn0 h GLN 37 N -0.66 0.38 0.42 1.82 4.15 -1.26 0.31 115.11 120.27 1kn0 h GLN 37 Ca 0.01 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.40 1kn0 h GLN 37 Cb 0.64 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 28.23 1kn0 h GLN 37 CO -0.15 0.25 -0.40 0.00 -1.93 0.00 0.00 178.83 176.60 1kn0 h ALA 38 N 1.25 -0.89 -0.75 3.38 0.00 -1.12 -0.98 119.26 120.15 1kn0 h ALA 38 Ca 0.19 -0.15 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1kn0 h ALA 38 Cb 0.13 0.57 -0.04 0.00 0.00 0.00 0.00 17.79 18.45 1kn0 h ALA 38 CO -0.16 -1.03 0.49 0.82 0.00 0.00 0.00 179.25 179.37 1kn0 h ILE 39 N -0.83 1.17 -0.88 0.00 2.04 -1.04 0.17 117.51 118.12 1kn0 h ILE 39 Ca -0.04 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.53 1kn0 h ILE 39 Cb 0.74 0.09 -0.06 0.00 -0.74 0.00 0.00 36.82 36.85 1kn0 h ILE 39 CO -0.05 0.18 0.56 -0.61 0.00 0.00 0.00 178.15 178.23 1kn0 h GLN 40 N 0.99 1.02 0.14 2.37 5.75 -0.15 -0.42 115.11 124.81 1kn0 h GLN 40 Ca 0.28 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.72 1kn0 h GLN 40 Cb -0.07 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.25 1kn0 h GLN 40 CO -0.08 0.67 -0.07 0.87 -2.65 0.00 0.00 178.83 177.58 1kn0 h LYS 41 N 1.05 -0.18 -0.60 1.69 1.57 -0.46 -3.33 116.57 116.30 1kn0 h LYS 41 Ca 0.37 0.01 0.12 0.00 -1.87 0.00 0.00 60.65 59.28 1kn0 h LYS 41 Cb 0.11 0.04 -0.12 0.00 0.08 0.00 0.00 32.23 32.34 1kn0 h LYS 41 CO -0.15 0.27 -0.24 0.00 -0.57 0.00 0.00 179.45 178.76 1kn0 h ALA 42 N -0.12 0.20 -0.19 3.86 0.00 -0.47 -0.39 119.26 122.15 1kn0 h ALA 42 Ca -0.02 0.21 0.06 0.00 0.00 0.00 0.00 54.91 55.15 1kn0 h ALA 42 Cb 0.54 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1kn0 h ALA 42 CO 0.03 -0.54 0.35 -0.07 0.00 0.00 0.00 179.25 179.02 1kn0 h LEU 43 N -0.09 0.00 -0.92 0.00 3.38 -1.18 -1.24 115.31 115.27 1kn0 h LEU 43 Ca 0.27 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 1kn0 h LEU 43 Cb 0.51 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 1kn0 h LEU 43 CO -0.66 0.00 -0.31 0.03 0.09 0.00 0.00 178.44 177.59 1kn0 h ARG 44 N 0.00 0.42 -6.28 1.13 3.08 -1.18 0.22 114.38 111.77 1kn0 h ARG 44 Ca 0.09 -0.17 -0.60 0.00 0.07 0.00 0.00 59.98 59.37 1kn0 h ARG 44 Cb 0.79 -0.02 0.16 0.00 0.08 0.00 0.00 29.97 30.98 1kn0 h ARG 44 CO -0.00 0.69 -0.59 1.04 -1.07 0.00 0.00 179.97 180.03 1kn0 n GLN 45 N -4.09 0.39 -3.93 0.04 6.02 -0.47 -4.53 117.38 110.81 1kn0 n GLN 45 Ca -0.01 0.15 -0.31 0.00 -0.01 0.00 0.00 57.00 56.82 1kn0 n GLN 45 Cb 0.44 -1.41 -0.04 0.00 1.02 0.00 0.00 30.24 30.24 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 -1.55 3.40 0.33 -1.09 0.52 -1.26 -1.69 118.95 117.61 1kn0 s ARG 46 Ca 0.63 -0.47 -0.26 0.00 -0.52 0.00 0.00 55.73 55.11 1kn0 s ARG 46 Cb -0.54 -3.01 -0.09 0.00 0.52 0.00 0.00 34.95 31.82 1kn0 s ARG 46 CO 0.59 0.60 1.00 -0.51 0.02 0.00 0.00 175.30 177.00 1kn0 s LEU 47 N -2.56 4.34 0.94 2.53 2.01 -1.26 -4.95 118.68 119.72 1kn0 s LEU 47 Ca 0.35 1.99 -0.15 0.00 0.01 0.00 0.00 54.13 56.33 1kn0 s LEU 47 Cb -0.13 -3.97 0.16 0.00 0.01 0.00 0.00 46.19 42.27 1kn0 s LEU 47 CO 0.28 -0.20 1.23 -0.83 1.01 0.00 0.00 176.35 177.84 1kn0 s GLY 48 N -1.44 1.67 0.00 -3.19 0.00 -1.26 -4.92 107.32 98.19 1kn0 s GLY 48 Ca 0.51 -0.90 0.10 0.00 0.00 0.00 0.00 44.72 44.42 1kn0 s GLY 48 CO 0.29 -0.23 1.30 -1.05 0.00 0.00 0.00 173.10 173.40 1kn0 n PRO 49 N -3.75 0.01 0.00 2.90 -0.02 -1.26 -2.32 135.00 130.56 1kn0 n PRO 49 Ca 0.11 0.32 0.10 0.00 -2.02 0.00 0.00 63.50 62.02 1kn0 n PRO 49 Cb 0.60 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 33.11 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 -1.48 0.34 -0.05 -0.52 4.71 -1.26 -3.35 120.64 119.02 1kn0 n GLU 50 Ca 0.03 0.08 -0.06 0.00 -0.01 0.00 0.00 57.16 57.19 1kn0 n GLU 50 Cb 0.11 -1.50 -0.07 0.00 -1.01 0.00 0.00 31.44 28.97 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 -1.25 0.00 -1.86 -0.32 4.02 -0.98 -5.04 117.16 111.73 1kn0 n TYR 51 Ca 0.10 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.67 1kn0 n TYR 51 Cb 0.15 -0.49 0.03 0.00 -0.02 0.00 0.00 39.34 39.02 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 -2.24 3.47 0.23 -0.72 -1.09 -1.21 -4.28 121.20 115.34 1kn0 s ILE 52 Ca -0.10 0.68 0.03 0.00 -2.23 0.00 0.00 60.65 59.03 1kn0 s ILE 52 Cb 0.04 -3.21 -0.01 0.00 -1.58 0.00 0.00 42.46 37.69 1kn0 s ILE 52 CO 0.36 -0.42 0.25 -1.20 -1.23 0.00 0.00 174.94 172.69 1kn0 n SER 53 N -2.28 -0.65 -3.56 3.58 7.64 0.07 -4.96 113.62 113.46 1kn0 n SER 53 Ca 0.10 -2.37 -0.12 0.00 1.01 0.00 0.00 58.87 57.49 1kn0 n SER 53 Cb 0.52 1.36 -0.04 0.00 -1.01 0.00 0.00 64.21 65.04 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 -2.50 -0.38 0.08 6.43 1.04 -1.26 -2.16 113.70 114.95 1kn0 s SER 54 Ca 0.24 -0.12 -0.04 0.00 0.48 0.00 0.00 55.95 56.51 1kn0 s SER 54 Cb 0.00 0.52 -0.03 0.00 0.10 0.00 0.00 66.02 66.61 1kn0 s SER 54 CO 0.17 -0.86 0.06 -0.13 0.98 0.00 0.00 173.24 173.46 1kn0 s ARG 55 N -3.52 0.76 -0.52 4.02 0.52 -0.68 -4.97 118.95 114.57 1kn0 s ARG 55 Ca 0.01 -1.19 -0.16 0.00 -0.52 0.00 0.00 55.73 53.87 1kn0 s ARG 55 Cb 0.00 0.26 0.11 0.00 0.52 0.00 0.00 34.95 35.84 1kn0 s ARG 55 CO -0.10 -0.20 0.49 1.41 0.02 0.00 0.00 175.30 176.92 1kn0 s MET 56 N -3.93 3.00 0.18 3.54 1.75 -1.26 -1.19 119.30 121.39 1kn0 s MET 56 Ca 0.10 -1.52 -0.33 0.00 -1.25 0.00 0.00 55.69 52.69 1kn0 s MET 56 Cb 0.07 -4.24 -0.15 0.00 2.84 0.00 0.00 34.83 33.35 1kn0 s MET 56 CO -0.08 -1.25 1.23 0.00 -0.65 0.00 0.00 175.02 174.28 1kn0 n ALA 57 N 5.38 -0.32 -1.54 4.11 0.00 -0.33 -4.71 120.51 123.11 1kn0 n ALA 57 Ca -0.13 0.45 -0.32 0.00 0.00 0.00 0.00 53.44 53.45 1kn0 n ALA 57 Cb 0.42 -2.09 -0.07 0.00 0.00 0.00 0.00 19.45 17.71 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 2.10 -0.02 2.27 0.00 0.00 -1.26 -1.39 105.19 106.88 1kn0 n GLY 58 Ca 0.14 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.80 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 6.22 2.32 0.00 -0.02 0.00 -1.26 -4.98 105.19 107.46 1kn0 n GLY 59 Ca 0.45 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.28 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 -1.81 0.00 -0.02 0.00 -0.49 -5.09 105.19 97.79 1kn0 n GLY 60 Ca 0.00 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.49 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 -0.94 2.65 -2.92 1.61 3.00 -1.26 -4.32 117.38 115.20 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 1.36 4.28 -0.22 -1.09 2.20 -1.26 -1.18 119.74 123.83 1kn0 s LYS 62 Ca 0.00 0.97 -0.06 0.00 -0.36 0.00 0.00 55.97 56.51 1kn0 s LYS 62 Cb 0.00 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.72 1kn0 s LYS 62 CO 0.00 -0.32 0.03 0.08 -0.36 0.00 0.00 175.35 174.78 1kn0 s VAL 63 N 2.15 4.17 0.32 4.02 1.01 -0.33 -4.94 120.40 126.79 1kn0 s VAL 63 Ca 0.37 -0.23 -0.11 0.00 0.00 0.00 0.00 61.98 62.01 1kn0 s VAL 63 Cb -0.16 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.23 1kn0 s VAL 63 CO 0.12 0.39 0.67 0.00 0.00 0.00 0.00 175.10 176.28 1kn0 s TYR 65 N -2.08 -0.18 -0.15 0.00 -0.85 -0.92 -4.95 117.35 108.23 1kn0 s TYR 65 Ca 0.50 -0.12 -0.01 0.00 -0.52 0.00 0.00 57.07 56.91 1kn0 s TYR 65 Cb -0.11 0.63 -0.02 0.00 0.38 0.00 0.00 41.96 42.85 1kn0 s TYR 65 CO 0.25 -0.85 -0.10 0.42 -1.52 0.00 0.00 175.55 173.74 1kn0 s ILE 66 N -3.37 3.25 0.49 -3.49 1.01 -1.26 -0.75 121.20 117.08 1kn0 s ILE 66 Ca 0.11 -0.58 -0.23 0.00 0.00 0.00 0.00 60.65 59.94 1kn0 s ILE 66 Cb -0.02 -2.39 -0.07 0.00 0.01 0.00 0.00 42.46 39.99 1kn0 s ILE 66 CO 0.01 0.51 1.33 -1.61 0.00 0.00 0.00 174.94 175.17 1kn0 s GLU 67 N 0.49 3.50 0.14 2.79 2.02 -1.26 -4.86 118.70 121.52 1kn0 s GLU 67 Ca -0.07 2.17 -0.29 0.00 0.02 0.00 0.00 54.97 56.80 1kn0 s GLU 67 Cb -0.15 -2.45 -0.05 0.00 0.10 0.00 0.00 34.13 31.58 1kn0 s GLU 67 CO 0.04 -0.88 1.57 0.78 0.02 0.00 0.00 175.26 176.79 1kn0 h GLY 68 N 1.94 -0.71 1.14 -1.39 0.00 -1.98 -1.39 103.07 100.68 1kn0 h GLY 68 Ca -0.50 0.56 0.09 0.00 0.00 0.00 0.00 47.33 47.47 1kn0 h GLY 68 CO 0.59 -0.20 0.35 1.12 0.00 0.00 0.00 176.54 178.40 1kn0 h HIS 69 N -0.43 0.00 0.49 5.60 2.07 -1.99 -0.91 115.15 119.98 1kn0 h HIS 69 Ca 0.09 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.59 1kn0 h HIS 69 Cb 0.62 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.60 1kn0 h HIS 69 CO -0.56 0.00 -0.24 0.00 -3.07 0.00 0.00 177.93 174.06 1kn0 h ARG 70 N 0.00 -0.64 -0.99 5.12 2.47 -1.62 -1.97 114.38 116.75 1kn0 h ARG 70 Ca 0.14 0.04 0.20 0.00 -1.26 0.00 0.00 59.98 59.11 1kn0 h ARG 70 Cb 0.83 0.15 -0.10 0.00 -1.65 0.00 0.00 29.97 29.20 1kn0 h ARG 70 CO -0.00 -0.43 0.62 0.28 0.56 0.00 0.00 179.97 181.00 1kn0 h VAL 71 N -0.85 0.69 -0.09 2.04 2.07 -1.18 0.16 116.25 119.09 1kn0 h VAL 71 Ca -0.07 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1kn0 h VAL 71 Cb 0.51 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1kn0 h VAL 71 CO 0.11 0.12 0.05 0.40 0.02 0.00 0.00 177.57 178.27 1kn0 h ILE 72 N 0.67 1.09 -0.52 4.57 2.04 -1.14 -1.62 117.51 122.61 1kn0 h ILE 72 Ca 0.56 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 66.12 1kn0 h ILE 72 Cb 1.00 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 1kn0 h ILE 72 CO -0.34 0.08 0.13 0.78 0.00 0.00 0.00 178.15 178.80 1kn0 h ASN 73 N 0.04 0.79 -0.53 1.72 2.35 -0.28 -1.08 115.58 118.59 1kn0 h ASN 73 Ca 0.03 -0.23 0.11 0.00 -0.55 0.00 0.00 56.30 55.66 1kn0 h ASN 73 Cb 0.09 -0.21 -0.10 0.00 0.05 0.00 0.00 38.32 38.15 1kn0 h ASN 73 CO -0.00 0.81 -0.12 -0.07 -1.65 0.00 0.00 177.43 176.39 1kn0 h LEU 74 N 0.72 -0.47 0.44 1.61 3.38 -0.57 -0.66 115.31 119.75 1kn0 h LEU 74 Ca 0.16 0.16 -0.02 0.00 0.09 0.00 0.00 57.88 58.27 1kn0 h LEU 74 Cb 0.33 0.32 0.00 0.00 0.09 0.00 0.00 40.66 41.40 1kn0 h LEU 74 CO 0.00 -0.17 -0.21 0.00 0.09 0.00 0.00 178.44 178.15 1kn0 h ALA 75 N 1.53 -0.58 -0.76 1.53 0.00 -0.90 0.50 119.26 120.56 1kn0 h ALA 75 Ca 0.26 -0.14 0.22 0.00 0.00 0.00 0.00 54.91 55.25 1kn0 h ALA 75 Cb 0.39 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 18.38 1kn0 h ALA 75 CO -0.54 -0.81 0.61 -0.91 0.00 0.00 0.00 179.25 177.60 1kn0 h ASN 76 N -0.61 0.00 0.03 0.00 2.35 -0.42 0.11 115.58 117.03 1kn0 h ASN 76 Ca -0.06 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.58 1kn0 h ASN 76 Cb 0.46 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.83 1kn0 h ASN 76 CO 0.10 0.00 -0.55 -0.33 -1.65 0.00 0.00 177.43 174.99 1kn0 h GLU 77 N 0.00 0.07 -0.94 0.81 4.39 -0.58 0.40 114.58 118.74 1kn0 h GLU 77 Ca 0.36 -0.12 0.04 0.00 0.34 0.00 0.00 59.36 59.98 1kn0 h GLU 77 Cb 1.59 0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 30.23 1kn0 h GLU 77 CO -0.00 1.06 0.60 0.52 -1.16 0.00 0.00 179.01 180.03 1kn0 h MET 78 N -0.83 1.11 0.00 2.33 2.86 0.65 -3.32 114.93 117.74 1kn0 h MET 78 Ca -0.13 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.44 1kn0 h MET 78 Cb 1.25 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.66 1kn0 h MET 78 CO -0.02 0.74 -0.44 1.19 1.06 0.00 0.00 176.91 179.44 1kn0 n PHE 79 N -4.51 0.00 0.00 -0.22 3.01 0.22 -4.92 117.46 111.04 1kn0 n PHE 79 Ca 0.13 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1kn0 n PHE 79 Cb 0.12 -0.02 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 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 1.48 0.63 0.47 1.37 0.00 0.13 -3.50 105.19 105.76 1kn0 n GLY 80 Ca 0.00 -1.62 0.29 0.00 0.00 0.00 0.00 46.02 44.69 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 0.27 -0.32 1.61 -0.00 -1.88 -0.89 116.97 115.75 1kn0 h TYR 81 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 58.73 58.64 1kn0 h TYR 81 Cb 0.00 -0.08 -0.06 0.00 0.00 0.00 0.00 36.73 36.60 1kn0 h TYR 81 CO 0.00 0.03 -0.00 0.27 -0.00 0.00 0.00 178.16 178.45 1kn0 n ASN 82 N -4.38 3.28 -0.09 0.10 6.94 -1.26 -4.57 115.26 115.28 1kn0 n ASN 82 Ca 0.24 -3.35 0.06 0.00 -0.02 0.00 0.00 54.58 51.51 1kn0 n ASN 82 Cb 1.03 -0.59 -0.05 0.00 -2.36 0.00 0.00 39.78 37.81 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 -0.81 -0.12 3.11 4.83 0.00 -0.34 -4.79 105.19 107.07 1kn0 n GLY 83 Ca 0.28 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.96 0.60 0.11 1.61 1.48 -1.26 -0.82 118.94 118.70 1kn0 s TRP 84 Ca 0.06 -1.04 -0.20 0.00 -1.06 0.00 0.00 56.10 53.86 1kn0 s TRP 84 Cb 0.09 -0.42 0.05 0.00 -1.16 0.00 0.00 33.47 32.04 1kn0 s TRP 84 CO 0.44 -0.33 0.50 0.00 -4.06 0.00 0.00 176.95 173.50 1kn0 s ALA 85 N -3.86 -1.27 0.07 2.67 0.00 0.72 -4.95 121.76 115.14 1kn0 s ALA 85 Ca 0.08 0.34 -0.06 0.00 0.00 0.00 0.00 51.96 52.32 1kn0 s ALA 85 Cb 0.07 0.64 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1kn0 s ALA 85 CO -0.09 -0.63 0.11 -3.38 0.00 0.00 0.00 175.76 171.77 1kn0 s HIS 86 N -3.31 0.26 0.07 0.00 -3.43 -1.26 0.38 115.29 108.00 1kn0 s HIS 86 Ca -0.01 -0.69 -0.12 0.00 -0.80 0.00 0.00 55.06 53.44 1kn0 s HIS 86 Cb 0.00 -0.17 0.01 0.00 -1.43 0.00 0.00 32.58 31.00 1kn0 s HIS 86 CO -0.09 -0.46 0.26 -1.54 -2.00 0.00 0.00 174.74 170.91 1kn0 s SER 87 N -2.71 -0.03 -0.41 7.38 1.04 -0.55 -4.99 113.70 113.43 1kn0 s SER 87 Ca 0.03 -0.38 -0.16 0.00 0.48 0.00 0.00 55.95 55.92 1kn0 s SER 87 Cb 0.04 0.35 0.02 0.00 0.10 0.00 0.00 66.02 66.53 1kn0 s SER 87 CO -0.09 -0.67 0.38 -0.63 0.98 0.00 0.00 173.24 173.21 1kn0 s ILE 88 N -3.09 5.15 0.10 -1.02 1.01 -1.26 -1.38 121.20 120.72 1kn0 s ILE 88 Ca -0.01 -0.41 -0.16 0.00 0.00 0.00 0.00 60.65 60.07 1kn0 s ILE 88 Cb 0.01 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.44 1kn0 s ILE 88 CO -0.07 -0.35 1.47 0.74 0.00 0.00 0.00 174.94 176.74 1kn0 h THR 89 N 5.67 1.29 -1.56 2.92 2.02 -0.89 -3.47 112.91 118.90 1kn0 h THR 89 Ca -0.27 -1.23 0.08 0.00 0.77 0.00 0.00 66.41 65.75 1kn0 h THR 89 Cb 1.12 1.43 -0.25 0.00 -1.74 0.00 0.00 68.15 68.71 1kn0 h THR 89 CO 0.76 0.40 0.52 -1.58 0.37 0.00 0.00 175.52 175.98 1kn0 s GLN 90 N -4.63 0.53 -0.08 6.66 0.74 -1.18 -4.99 119.66 116.70 1kn0 s GLN 90 Ca -0.13 0.36 0.01 0.00 0.05 0.00 0.00 55.36 55.65 1kn0 s GLN 90 Cb 0.09 0.25 0.02 0.00 1.10 0.00 0.00 33.01 34.47 1kn0 s GLN 90 CO 0.80 -0.12 -0.08 -1.14 -0.55 0.00 0.00 175.29 174.20 1kn0 s GLN 91 N -0.43 1.39 -0.09 1.67 0.74 -1.26 0.13 119.66 121.81 1kn0 s GLN 91 Ca 0.01 -0.25 0.03 0.00 0.05 0.00 0.00 55.36 55.19 1kn0 s GLN 91 Cb -0.03 -1.35 0.01 0.00 1.10 0.00 0.00 33.01 32.75 1kn0 s GLN 91 CO -0.03 -0.14 -0.16 1.21 -0.55 0.00 0.00 175.29 175.62 1kn0 s ASN 92 N 1.24 2.37 -0.60 6.67 2.47 -0.08 -4.99 114.94 122.02 1kn0 s ASN 92 Ca -0.04 -0.42 -0.28 0.00 0.42 0.00 0.00 52.86 52.54 1kn0 s ASN 92 Cb -0.14 -1.08 0.02 0.00 -1.45 0.00 0.00 41.25 38.61 1kn0 s ASN 92 CO -0.02 0.06 1.28 -0.69 -3.72 0.00 0.00 177.10 174.00 1kn0 s VAL 93 N 0.70 3.90 0.12 -5.21 1.01 -1.26 -1.89 120.40 117.77 1kn0 s VAL 93 Ca -0.13 0.76 -0.20 0.00 0.00 0.00 0.00 61.98 62.41 1kn0 s VAL 93 Cb -0.16 -4.67 -0.06 0.00 0.00 0.00 0.00 36.38 31.49 1kn0 s VAL 93 CO 0.03 -1.36 1.75 0.44 0.00 0.00 0.00 175.10 175.95 1kn0 h ASP 94 N 10.10 0.06 -4.99 3.32 3.32 -0.70 -3.47 116.42 124.06 1kn0 h ASP 94 Ca -0.26 0.02 0.06 0.00 0.02 0.00 0.00 57.03 56.87 1kn0 h ASP 94 Cb 1.07 0.01 -0.10 0.00 0.22 0.00 0.00 39.33 40.53 1kn0 h ASP 94 CO 1.20 0.06 0.30 0.72 -1.72 0.00 0.00 179.24 179.80 1kn0 s PHE 95 N -6.18 -0.35 -0.38 4.55 -0.12 -1.06 -4.98 117.98 109.47 1kn0 s PHE 95 Ca -0.13 0.06 0.03 0.00 -0.05 0.00 0.00 56.93 56.84 1kn0 s PHE 95 Cb 0.09 0.61 0.16 0.00 -0.63 0.00 0.00 43.02 43.25 1kn0 s PHE 95 CO 0.69 -0.91 0.37 0.08 -0.05 0.00 0.00 175.22 175.40 1kn0 s VAL 96 N -3.63 -0.29 0.10 -2.49 1.01 -1.26 -2.16 120.40 111.69 1kn0 s VAL 96 Ca 0.06 -1.10 -0.03 0.00 0.00 0.00 0.00 61.98 60.92 1kn0 s VAL 96 Cb -0.03 -0.70 -0.05 0.00 0.00 0.00 0.00 36.38 35.61 1kn0 s VAL 96 CO -0.04 -0.62 0.30 -1.81 0.00 0.00 0.00 175.10 172.92 1kn0 s ASP 97 N 1.33 6.43 -0.27 3.32 1.01 -0.26 -4.94 116.67 123.30 1kn0 s ASP 97 Ca 0.18 0.44 0.03 0.00 0.71 0.00 0.00 52.55 53.91 1kn0 s ASP 97 Cb -0.15 -2.03 0.06 0.00 1.01 0.00 0.00 42.92 41.81 1kn0 s ASP 97 CO -0.02 0.11 -0.10 -0.22 0.21 0.00 0.00 175.17 175.15 1kn0 s LEU 98 N -2.58 3.55 -0.34 1.23 2.96 -1.26 -0.79 118.68 121.45 1kn0 s LEU 98 Ca 0.38 -1.45 -0.01 0.00 -0.22 0.00 0.00 54.13 52.82 1kn0 s LEU 98 Cb -0.13 -1.56 0.07 0.00 0.50 0.00 0.00 46.19 45.08 1kn0 s LEU 98 CO 0.26 -0.20 0.07 0.20 -1.32 0.00 0.00 176.35 175.35 1kn0 s ASN 99 N 1.09 4.98 -0.50 3.68 0.01 -0.42 -4.85 114.94 118.93 1kn0 s ASN 99 Ca -0.08 -1.59 -0.34 0.00 -0.71 0.00 0.00 52.86 50.15 1kn0 s ASN 99 Cb -0.20 -1.74 0.05 0.00 0.41 0.00 0.00 41.25 39.77 1kn0 s ASN 99 CO -0.05 -0.36 0.66 -0.46 -1.51 0.00 0.00 177.10 175.38 1kn0 n ASN 100 N 4.57 -5.49 0.00 -1.22 6.94 -1.26 -1.92 115.26 116.88 1kn0 n ASN 100 Ca -0.08 -0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.23 1kn0 n ASN 100 Cb 0.43 -1.77 0.00 0.00 -2.36 0.00 0.00 39.78 36.07 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 -0.38 0.13 3.58 4.83 0.00 -1.26 -4.94 105.19 107.15 1kn0 n GLY 101 Ca -0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.64 2.58 -0.14 1.61 1.02 -0.81 -4.35 119.74 119.01 1kn0 s LYS 102 Ca 0.00 -0.69 -0.05 0.00 0.02 0.00 0.00 55.97 55.25 1kn0 s LYS 102 Cb 0.00 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 1kn0 s LYS 102 CO 0.00 0.62 0.03 -0.06 -0.92 0.00 0.00 175.35 175.01 1kn0 s PHE 103 N -0.94 3.21 -0.31 3.18 2.99 -0.33 -1.31 117.98 124.47 1kn0 s PHE 103 Ca 0.16 0.08 0.03 0.00 0.00 0.00 0.00 56.93 57.20 1kn0 s PHE 103 Cb -0.11 -1.94 0.08 0.00 0.00 0.00 0.00 43.02 41.05 1kn0 s PHE 103 CO 0.06 0.28 -0.00 0.71 -0.00 0.00 0.00 175.22 176.26 1kn0 s TYR 104 N -0.20 3.54 -0.09 0.36 1.51 0.03 -3.57 117.35 118.92 1kn0 s TYR 104 Ca 0.06 -2.65 0.02 0.00 -1.01 0.00 0.00 57.07 53.49 1kn0 s TYR 104 Cb -0.12 -2.52 -0.02 0.00 -0.11 0.00 0.00 41.96 39.19 1kn0 s TYR 104 CO 0.02 -0.92 -0.14 0.08 -1.11 0.00 0.00 175.55 173.48 1kn0 s VAL 105 N 1.01 3.03 -0.15 0.71 1.01 -0.21 -1.10 120.40 124.70 1kn0 s VAL 105 Ca 0.02 -0.70 0.02 0.00 0.00 0.00 0.00 61.98 61.32 1kn0 s VAL 105 Cb -0.20 -2.23 0.02 0.00 0.00 0.00 0.00 36.38 33.97 1kn0 s VAL 105 CO -0.06 0.55 -0.20 -0.83 0.00 0.00 0.00 175.10 174.57 1kn0 s GLY 106 N -0.13 1.31 0.02 4.51 0.00 -0.92 -2.63 107.32 109.48 1kn0 s GLY 106 Ca -0.01 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.66 1kn0 s GLY 106 CO 0.03 0.19 -0.11 0.14 0.00 0.00 0.00 173.10 173.35 1kn0 s VAL 107 N 1.10 0.89 0.08 1.40 1.01 -0.65 0.09 120.40 124.32 1kn0 s VAL 107 Ca -0.01 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.31 1kn0 s VAL 107 Cb -0.14 -0.80 -0.03 0.00 0.00 0.00 0.00 36.38 35.41 1kn0 s VAL 107 CO -0.07 0.06 -0.20 0.00 0.00 0.00 0.00 175.10 174.88 1kn0 s ALA 109 N -1.04 -0.08 -0.32 0.00 0.00 0.11 -0.90 121.76 119.53 1kn0 s ALA 109 Ca 0.06 0.06 -0.09 0.00 0.00 0.00 0.00 51.96 51.99 1kn0 s ALA 109 Cb -0.10 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 22.99 1kn0 s ALA 109 CO 0.03 -0.03 0.14 -0.06 0.00 0.00 0.00 175.76 175.84 1kn0 s PHE 110 N -0.10 3.19 -0.01 0.00 0.40 0.35 0.10 117.98 121.91 1kn0 s PHE 110 Ca -0.01 -0.84 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 1kn0 s PHE 110 Cb -0.01 -2.33 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 1kn0 s PHE 110 CO 0.00 -0.55 -0.08 0.08 0.70 0.00 0.00 175.22 175.37 1kn0 s VAL 111 N 1.55 3.57 -0.12 -0.44 1.01 -0.39 -0.13 120.40 125.45 1kn0 s VAL 111 Ca 0.03 -0.76 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1kn0 s VAL 111 Cb -0.18 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.70 1kn0 s VAL 111 CO 0.05 0.43 -0.11 -0.60 0.00 0.00 0.00 175.10 174.87 1kn0 s ARG 112 N -1.30 1.85 -0.07 2.72 3.52 -0.48 -0.82 118.95 124.36 1kn0 s ARG 112 Ca 0.16 -0.39 -0.04 0.00 -0.13 0.00 0.00 55.73 55.34 1kn0 s ARG 112 Cb -0.11 -1.78 -0.04 0.00 -1.56 0.00 0.00 34.95 31.46 1kn0 s ARG 112 CO 0.06 -0.23 0.10 0.08 -0.81 0.00 0.00 175.30 174.50 1kn0 s VAL 113 N 1.54 5.05 -0.01 7.11 1.01 0.61 -1.48 120.40 134.23 1kn0 s VAL 113 Ca 0.03 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.94 1kn0 s VAL 113 Cb -0.13 -3.23 0.01 0.00 0.00 0.00 0.00 36.38 33.03 1kn0 s VAL 113 CO -0.08 0.52 -0.02 -1.58 0.00 0.00 0.00 175.10 173.94 1kn0 s GLN 114 N -1.27 0.26 0.58 2.72 0.74 0.16 -1.24 119.66 121.61 1kn0 s GLN 114 Ca 0.18 -0.04 -0.04 0.00 0.05 0.00 0.00 55.36 55.51 1kn0 s GLN 114 Cb -0.12 -0.32 0.02 0.00 1.10 0.00 0.00 33.01 33.69 1kn0 s GLN 114 CO 0.08 -0.01 0.87 -0.51 -0.55 0.00 0.00 175.29 175.16 1kn0 s LEU 115 N 0.32 3.24 0.26 3.68 1.43 0.16 -0.20 118.68 127.56 1kn0 s LEU 115 Ca -0.03 0.50 0.18 0.00 -1.03 0.00 0.00 54.13 53.75 1kn0 s LEU 115 Cb -0.06 -3.31 0.95 0.00 0.03 0.00 0.00 46.19 43.80 1kn0 s LEU 115 CO -0.01 -1.11 1.54 2.29 0.23 0.00 0.00 176.35 179.30 1kn0 n LYS 116 N -2.53 0.12 -0.11 1.70 2.85 -0.00 -1.92 118.16 118.27 1kn0 n LYS 116 Ca 0.05 0.60 0.12 0.00 -1.05 0.00 0.00 58.31 58.03 1kn0 n LYS 116 Cb 0.58 -1.87 0.25 0.00 -0.65 0.00 0.00 35.03 33.34 1kn0 n LYS 116 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 177.40 176.95 1kn0 n ASP 117 N -2.11 2.82 0.00 -5.58 5.75 -1.19 -0.53 116.55 115.71 1kn0 n ASP 117 Ca -0.01 -1.90 0.00 0.00 -0.01 0.00 0.00 54.79 52.87 1kn0 n ASP 117 Cb 0.04 -0.14 0.00 0.00 -1.03 0.00 0.00 41.12 39.99 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 1.37 2.83 3.62 6.12 0.00 -0.81 -4.79 105.19 113.53 1kn0 n GLY 118 Ca 0.17 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.79 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 1.16 -3.56 1.61 2.88 -1.26 -4.74 113.62 109.71 1kn0 n SER 119 Ca 0.00 0.96 -0.11 0.00 -1.33 0.00 0.00 58.87 58.40 1kn0 n SER 119 Cb 0.00 -1.37 -0.03 0.00 -0.75 0.00 0.00 64.21 62.06 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 -1.36 -0.34 -0.15 0.66 -0.85 -1.26 -0.67 117.35 113.39 1kn0 s TYR 120 Ca 0.67 0.06 -0.13 0.00 -0.52 0.00 0.00 57.07 57.15 1kn0 s TYR 120 Cb -0.51 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.31 1kn0 s TYR 120 CO 0.54 -0.83 0.39 -1.01 -1.52 0.00 0.00 175.55 173.12 1kn0 s HIS 121 N -3.80 -0.43 0.02 -3.49 3.76 -0.37 -5.00 115.29 105.97 1kn0 s HIS 121 Ca 0.03 1.05 0.04 0.00 -0.15 0.00 0.00 55.06 56.04 1kn0 s HIS 121 Cb -0.00 0.15 -0.02 0.00 1.11 0.00 0.00 32.58 33.82 1kn0 s HIS 121 CO -0.10 -0.21 -0.12 -2.00 -0.85 0.00 0.00 174.74 171.46 1kn0 s GLU 122 N 0.24 0.89 0.26 1.40 2.12 -1.26 -0.28 118.70 122.07 1kn0 s GLU 122 Ca -0.00 -0.57 -0.09 0.00 0.36 0.00 0.00 54.97 54.66 1kn0 s GLU 122 Cb -0.03 -0.86 -0.01 0.00 0.26 0.00 0.00 34.13 33.49 1kn0 s GLU 122 CO 0.00 0.22 0.43 0.34 -0.54 0.00 0.00 175.26 175.71 1kn0 s ASP 123 N -0.72 0.13 -0.00 -1.70 -1.08 -0.00 -4.93 116.67 108.36 1kn0 s ASP 123 Ca 0.02 -1.11 -0.09 0.00 -0.52 0.00 0.00 52.55 50.85 1kn0 s ASP 123 Cb -0.06 0.57 -0.05 0.00 -1.46 0.00 0.00 42.92 41.92 1kn0 s ASP 123 CO 0.00 -1.13 0.30 -0.69 0.52 0.00 0.00 175.17 174.17 1kn0 s VAL 124 N -3.84 5.24 0.21 1.11 1.01 -1.26 -1.27 120.40 121.61 1kn0 s VAL 124 Ca 0.26 0.37 0.11 0.00 0.00 0.00 0.00 61.98 62.72 1kn0 s VAL 124 Cb 0.01 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.76 1kn0 s VAL 124 CO 0.12 0.44 -0.22 -0.83 0.00 0.00 0.00 175.10 174.60 1kn0 s GLY 125 N -1.46 1.70 -0.02 4.51 0.00 0.28 -4.42 107.32 107.91 1kn0 s GLY 125 Ca 0.25 -1.67 0.01 0.00 0.00 0.00 0.00 44.72 43.31 1kn0 s GLY 125 CO 0.14 -1.72 -0.03 -0.47 0.00 0.00 0.00 173.10 171.02 1kn0 s TYR 126 N -1.91 0.42 0.05 1.90 5.04 -1.23 -0.71 117.35 120.91 1kn0 s TYR 126 Ca 0.22 -0.07 0.07 0.00 -2.44 0.00 0.00 57.07 54.85 1kn0 s TYR 126 Cb -0.07 -0.38 -0.03 0.00 0.35 0.00 0.00 41.96 41.83 1kn0 s TYR 126 CO 0.10 -0.08 -0.16 0.20 -1.34 0.00 0.00 175.55 174.27 1kn0 s GLY 127 N 0.47 1.63 0.01 8.97 0.00 0.16 -3.88 107.32 114.68 1kn0 s GLY 127 Ca -0.05 -1.20 -0.04 0.00 0.00 0.00 0.00 44.72 43.43 1kn0 s GLY 127 CO -0.01 -1.11 0.06 0.14 0.00 0.00 0.00 173.10 172.19 1kn0 s VAL 128 N -0.99 0.09 -0.22 1.40 1.01 -1.26 -1.64 120.40 118.79 1kn0 s VAL 128 Ca 0.16 -0.79 -0.04 0.00 0.00 0.00 0.00 61.98 61.31 1kn0 s VAL 128 Cb -0.11 -0.36 0.12 0.00 0.00 0.00 0.00 36.38 36.03 1kn0 s VAL 128 CO 0.07 -0.43 0.37 -0.55 0.00 0.00 0.00 175.10 174.56 1kn0 s SER 129 N -1.42 0.17 0.00 3.32 0.15 -1.08 -4.44 113.70 110.40 1kn0 s SER 129 Ca -0.15 0.43 0.02 0.00 0.70 0.00 0.00 55.95 56.95 1kn0 s SER 129 Cb -0.09 1.11 0.01 0.00 -1.71 0.00 0.00 66.02 65.35 1kn0 s SER 129 CO 0.00 -0.28 0.51 -0.62 1.20 0.00 0.00 173.24 174.05 1kn0 n GLU 130 N 5.37 0.07 -0.00 5.44 1.02 -1.26 -1.04 120.64 130.23 1kn0 n GLU 130 Ca -0.05 -0.55 -0.00 0.00 -0.02 0.00 0.00 57.16 56.54 1kn0 n GLU 130 Cb 0.50 -0.99 -0.00 0.00 -0.02 0.00 0.00 31.44 30.93 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 0.21 -0.23 0.00 0.62 0.00 -1.23 -4.58 105.19 99.98 1kn0 n GLY 131 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -2.55 0.00 0.03 0.99 4.77 -1.26 -3.40 117.00 115.57 1kn0 n LEU 132 Ca -0.00 0.00 0.11 0.00 -0.03 0.00 0.00 56.01 56.09 1kn0 n LEU 132 Cb 0.01 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.02 1kn0 n LEU 132 CO 0.00 0.00 -0.33 0.29 -1.33 0.00 0.00 177.39 176.02 1kn0 n LYS 133 N 0.00 0.51 -3.10 3.23 5.02 -1.26 -1.18 118.16 121.39 1kn0 n LYS 133 Ca 0.00 -0.06 -0.40 0.00 -2.02 0.00 0.00 58.31 55.83 1kn0 n LYS 133 Cb 0.00 -1.62 -0.06 0.00 -0.02 0.00 0.00 35.03 33.34 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 -4.49 6.75 0.01 4.39 0.15 -1.26 -4.79 113.70 114.45 1kn0 s SER 134 Ca -0.02 0.91 -0.24 0.00 0.70 0.00 0.00 55.95 57.30 1kn0 s SER 134 Cb 0.13 -2.36 -0.17 0.00 -1.71 0.00 0.00 66.02 61.90 1kn0 s SER 134 CO 0.85 -0.26 1.35 0.50 1.20 0.00 0.00 173.24 176.88 1kn0 h LYS 135 N 7.35 0.12 -0.11 5.44 3.64 -1.97 -2.18 116.57 128.87 1kn0 h LYS 135 Ca -0.33 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.04 1kn0 h LYS 135 Cb 1.15 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.91 1kn0 h LYS 135 CO 0.78 0.52 -0.33 0.00 -2.27 0.00 0.00 179.45 178.15 1kn0 h ALA 136 N 0.60 -0.40 -0.15 5.00 0.00 -2.00 -0.65 119.26 121.67 1kn0 h ALA 136 Ca 0.01 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.94 1kn0 h ALA 136 Cb 0.48 0.61 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1kn0 h ALA 136 CO 0.01 -0.81 0.10 -0.07 0.00 0.00 0.00 179.25 178.48 1kn0 h LEU 137 N -0.41 0.16 -0.36 0.00 4.07 -1.98 0.16 115.31 116.95 1kn0 h LEU 137 Ca 0.09 -0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.94 1kn0 h LEU 137 Cb 0.55 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.24 1kn0 h LEU 137 CO -0.34 0.11 -0.18 0.28 -1.08 0.00 0.00 178.44 177.23 1kn0 h SER 138 N 0.19 0.78 0.26 -0.43 0.02 -0.50 -2.15 113.55 111.72 1kn0 h SER 138 Ca 0.05 -0.41 -0.01 0.00 -0.84 0.00 0.00 61.79 60.58 1kn0 h SER 138 Cb -0.01 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1kn0 h SER 138 CO -0.01 1.01 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.50 1kn0 h LEU 139 N 0.54 -0.29 -0.96 5.07 3.38 -0.49 -2.08 115.31 120.47 1kn0 h LEU 139 Ca 0.08 -0.22 0.27 0.00 0.09 0.00 0.00 57.88 58.10 1kn0 h LEU 139 Cb 0.72 0.08 -0.14 0.00 0.09 0.00 0.00 40.66 41.41 1kn0 h LEU 139 CO 0.05 0.11 0.47 -0.08 0.09 0.00 0.00 178.44 179.08 1kn0 h GLU 140 N -0.75 0.34 0.25 1.13 4.81 -1.02 0.19 114.58 119.53 1kn0 h GLU 140 Ca -0.04 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1kn0 h GLU 140 Cb 0.50 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1kn0 h GLU 140 CO 0.06 0.23 -0.12 -0.22 -0.73 0.00 0.00 179.01 178.23 1kn0 h LYS 141 N 0.35 -0.32 -0.70 1.92 3.64 -1.30 -2.39 116.57 117.78 1kn0 h LYS 141 Ca 0.65 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 60.04 1kn0 h LYS 141 Cb 1.37 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.23 1kn0 h LYS 141 CO -0.58 0.00 0.40 0.00 -2.27 0.00 0.00 179.45 176.99 1kn0 h ALA 142 N -0.04 0.89 0.11 5.00 0.00 -0.45 -1.09 119.26 123.68 1kn0 h ALA 142 Ca -0.03 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1kn0 h ALA 142 Cb 0.47 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1kn0 h ALA 142 CO 0.06 0.39 -0.05 0.00 0.00 0.00 0.00 179.25 179.64 1kn0 h ARG 143 N 0.96 -0.14 -0.56 0.00 3.08 -0.74 -0.73 114.38 116.24 1kn0 h ARG 143 Ca 0.25 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.29 1kn0 h ARG 143 Cb 0.01 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.07 1kn0 h ARG 143 CO -0.04 0.07 0.29 0.87 -1.07 0.00 0.00 179.97 180.08 1kn0 h LYS 144 N -0.34 0.80 -0.19 0.04 1.57 -1.36 -2.84 116.57 114.25 1kn0 h LYS 144 Ca -0.02 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.64 1kn0 h LYS 144 Cb 0.28 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1kn0 h LYS 144 CO 0.03 0.64 0.07 0.93 -0.57 0.00 0.00 179.45 180.55 1kn0 h GLU 145 N 0.76 0.29 -0.68 3.15 5.08 -1.17 -2.41 114.58 119.60 1kn0 h GLU 145 Ca 0.20 -0.06 0.14 0.00 -1.00 0.00 0.00 59.36 58.64 1kn0 h GLU 145 Cb 0.09 -0.04 -0.11 0.00 0.50 0.00 0.00 28.75 29.19 1kn0 h GLU 145 CO -0.03 0.37 0.09 0.00 -1.00 0.00 0.00 179.01 178.45 1kn0 h ALA 146 N 0.90 0.78 0.70 3.43 0.00 -1.00 0.35 119.26 124.43 1kn0 h ALA 146 Ca 0.06 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.12 1kn0 h ALA 146 Cb 0.20 0.28 0.01 0.00 0.00 0.00 0.00 17.79 18.27 1kn0 h ALA 146 CO -0.00 -0.36 -0.34 0.28 0.00 0.00 0.00 179.25 178.83 1kn0 h VAL 147 N 0.20 0.00 -0.86 0.00 2.07 -1.34 -0.10 116.25 116.21 1kn0 h VAL 147 Ca 0.37 -0.02 0.17 0.00 0.82 0.00 0.00 66.70 68.04 1kn0 h VAL 147 Cb 0.62 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.28 1kn0 h VAL 147 CO -0.52 0.00 0.43 0.74 0.02 0.00 0.00 177.57 178.24 1kn0 h THR 148 N -0.96 0.67 -0.04 2.57 2.02 -1.09 0.65 112.91 116.72 1kn0 h THR 148 Ca -0.10 -0.20 -0.03 0.00 0.77 0.00 0.00 66.41 66.86 1kn0 h THR 148 Cb 0.72 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.17 1kn0 h THR 148 CO 0.16 0.10 -0.10 -0.78 0.37 0.00 0.00 175.52 175.27 1kn0 h ASP 149 N 0.57 0.06 0.08 4.18 3.58 -0.15 -0.53 116.42 124.21 1kn0 h ASP 149 Ca 0.49 -0.01 -0.00 0.00 0.42 0.00 0.00 57.03 57.93 1kn0 h ASP 149 Cb 0.76 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.80 1kn0 h ASP 149 CO -0.40 0.17 -0.04 1.23 -2.88 0.00 0.00 179.24 177.32 1kn0 h GLY 150 N 0.43 -0.11 0.38 -0.78 0.00 0.21 -2.05 103.07 101.14 1kn0 h GLY 150 Ca 0.01 0.04 0.14 0.00 0.00 0.00 0.00 47.33 47.52 1kn0 h GLY 150 CO 0.01 -0.04 0.61 -2.00 0.00 0.00 0.00 176.54 175.12 1kn0 h LEU 151 N -0.78 0.86 -0.15 3.11 5.85 -0.22 0.56 115.31 124.53 1kn0 h LEU 151 Ca -0.01 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 1kn0 h LEU 151 Cb 0.60 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 1kn0 h LEU 151 CO 0.02 0.42 -0.03 0.11 -0.34 0.00 0.00 178.44 178.62 1kn0 h LYS 152 N 0.91 0.29 0.00 1.25 1.57 -1.14 -1.72 116.57 117.73 1kn0 h LYS 152 Ca 0.51 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 59.16 1kn0 h LYS 152 Cb 0.59 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1kn0 h LYS 152 CO -0.30 0.55 -0.10 0.00 -0.57 0.00 0.00 179.45 179.03 1kn0 h ARG 153 N -0.00 0.00 -0.03 3.15 3.08 -0.59 -1.96 114.38 118.03 1kn0 h ARG 153 Ca 0.04 0.00 -0.09 0.00 0.07 0.00 0.00 59.98 60.00 1kn0 h ARG 153 Cb 0.44 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.50 1kn0 h ARG 153 CO 0.01 0.10 -0.33 0.00 -1.07 0.00 0.00 179.97 178.69 1kn0 h ALA 154 N 1.90 0.09 0.00 0.04 0.00 -0.69 -3.22 119.26 117.37 1kn0 h ALA 154 Ca -0.00 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1kn0 h ALA 154 Cb 0.20 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1kn0 h ALA 154 CO 0.01 0.16 -0.10 -0.07 0.00 0.00 0.00 179.25 179.26 1kn0 h LEU 155 N -0.28 0.00 -2.27 0.00 3.38 -0.91 -1.67 115.31 113.57 1kn0 h LEU 155 Ca -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1kn0 h LEU 155 Cb 1.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1kn0 h LEU 155 CO 0.07 0.10 -0.03 0.03 0.09 0.00 0.00 178.44 178.69 1kn0 h ARG 156 N 0.00 0.00 0.00 1.13 3.08 -1.38 -1.35 114.38 115.86 1kn0 h ARG 156 Ca -0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 156 Cb 0.33 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.38 1kn0 h ARG 156 CO 0.01 0.03 -0.02 0.77 -1.07 0.00 0.00 179.97 179.69 1kn0 h SER 157 N 0.00 0.00 1.18 7.04 0.02 -1.43 -2.48 113.55 117.88 1kn0 h SER 157 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1kn0 h SER 157 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1kn0 h SER 157 CO 0.00 0.02 0.00 0.49 -1.14 0.00 0.00 176.83 176.21 1kn0 n PHE 158 N -3.27 0.44 0.00 3.45 3.01 -0.51 -5.02 117.46 115.57 1kn0 n PHE 158 Ca -0.02 0.13 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1kn0 n PHE 158 Cb 0.15 -0.72 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 1kn0 n PHE 158 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 159 N 1.30 1.27 0.25 1.37 0.00 -0.93 -4.93 105.19 103.52 1kn0 n GLY 159 Ca 0.06 -1.75 -0.08 0.00 0.00 0.00 0.00 46.02 44.26 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 0.77 0.00 1.61 2.35 -1.63 -1.56 115.58 117.13 1kn0 h ASN 160 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1kn0 h ASN 160 Cb 0.00 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 38.17 1kn0 h ASN 160 CO 0.00 0.71 0.20 0.00 -1.65 0.00 0.00 177.43 176.69 1kn0 n ALA 161 N -2.35 0.74 -0.30 -0.83 0.00 0.73 -0.15 120.51 118.35 1kn0 n ALA 161 Ca 0.03 0.12 0.03 0.00 0.00 0.00 0.00 53.44 53.62 1kn0 n ALA 161 Cb 0.15 -0.90 0.06 0.00 0.00 0.00 0.00 19.45 18.76 1kn0 n ALA 161 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1kn0 n LEU 162 N -1.97 2.30 0.00 0.00 4.77 -1.03 -4.93 117.00 116.14 1kn0 n LEU 162 Ca -0.01 -2.28 0.00 0.00 -0.03 0.00 0.00 56.01 53.69 1kn0 n LEU 162 Cb 0.22 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1kn0 n LEU 162 CO 0.06 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1kn0 n GLY 163 N -0.55 1.07 0.23 -0.72 0.00 0.79 -4.00 105.19 102.02 1kn0 n GLY 163 Ca 0.06 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.24 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 0.34 1.61 -1.24 -1.24 -2.71 115.58 112.34 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 -0.96 0.00 -1.29 0.00 0.00 177.43 175.18 1kn0 h ILE 166 N 0.23 0.00 0.03 0.00 6.09 -1.81 0.90 117.51 122.95 1kn0 h ILE 166 Ca -0.08 0.00 -0.33 0.00 -1.37 0.00 0.00 64.86 63.08 1kn0 h ILE 166 Cb 1.60 0.16 -0.05 0.00 0.47 0.00 0.00 36.82 39.00 1kn0 h ILE 166 CO 0.17 0.00 -1.94 0.18 -3.07 0.00 0.00 178.15 173.49 1kn0 n LEU 167 N -2.35 1.25 -4.65 2.19 4.77 -1.24 -4.91 117.00 112.05 1kn0 n LEU 167 Ca -0.00 0.26 -0.46 0.00 -0.03 0.00 0.00 56.01 55.78 1kn0 n LEU 167 Cb 0.75 -0.12 -0.04 0.00 -2.33 0.00 0.00 43.42 41.67 1kn0 n LEU 167 CO 0.03 0.54 1.60 -0.67 -1.33 0.00 0.00 177.39 177.57 1kn0 n ASP 168 N -3.10 3.55 -0.05 -1.43 -0.08 0.31 -4.89 116.55 110.87 1kn0 n ASP 168 Ca -0.25 0.81 -0.11 0.00 -1.51 0.00 0.00 54.79 53.73 1kn0 n ASP 168 Cb 1.07 -1.43 -0.05 0.00 2.34 0.00 0.00 41.12 43.04 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 10.67 0.27 -0.93 -0.67 1.57 -1.91 -1.92 116.57 123.65 1kn0 h LYS 169 Ca -0.46 -0.06 0.14 0.00 -1.87 0.00 0.00 60.65 58.39 1kn0 h LYS 169 Cb 1.26 -0.04 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1kn0 h LYS 169 CO 0.95 0.40 0.59 -0.44 -0.57 0.00 0.00 179.45 180.39 1kn0 h ASP 170 N 0.09 0.75 -0.18 0.86 3.32 -1.96 -0.75 116.42 118.55 1kn0 h ASP 170 Ca 0.05 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 1kn0 h ASP 170 Cb 0.25 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.69 1kn0 h ASP 170 CO -0.00 0.38 0.07 0.22 -1.72 0.00 0.00 179.24 178.19 1kn0 h TYR 171 N 0.79 0.27 0.03 4.55 3.20 -1.79 -2.90 116.97 121.13 1kn0 h TYR 171 Ca 0.47 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.34 1kn0 h TYR 171 Cb 0.65 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.81 1kn0 h TYR 171 CO -0.00 0.32 -0.15 -0.07 -1.64 0.00 0.00 178.16 176.62 1kn0 h LEU 172 N 0.14 -0.42 -0.76 2.82 3.38 -0.38 -2.44 115.31 117.65 1kn0 h LEU 172 Ca 0.06 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.21 1kn0 h LEU 172 Cb 0.16 0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.00 1kn0 h LEU 172 CO -0.01 -0.21 0.35 0.03 0.09 0.00 0.00 178.44 178.70 1kn0 h ARG 173 N -0.26 0.52 0.00 1.13 3.08 -1.35 0.50 114.38 118.00 1kn0 h ARG 173 Ca 0.04 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 1kn0 h ARG 173 Cb 0.31 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1kn0 h ARG 173 CO -0.12 0.35 0.00 0.43 -1.07 0.00 0.00 179.97 179.56 1kn0 n SER 174 N -4.92 0.31 0.07 7.04 7.64 -0.95 -2.08 113.62 120.72 1kn0 n SER 174 Ca 0.14 0.61 -0.21 0.00 1.01 0.00 0.00 58.87 60.41 1kn0 n SER 174 Cb 0.37 -0.66 -0.15 0.00 -1.01 0.00 0.00 64.21 62.77 1kn0 n SER 174 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1kn0 h LEU 175 N 0.00 0.56 -0.64 -3.43 3.38 0.38 -3.35 115.31 112.21 1kn0 h LEU 175 Ca 0.00 -0.84 -0.10 0.00 0.09 0.00 0.00 57.88 57.03 1kn0 h LEU 175 Cb 0.14 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 1kn0 h LEU 175 CO 0.00 1.71 0.01 0.78 0.09 0.00 0.00 178.44 181.03 1kn0 h ASN 176 N 0.10 1.05 0.00 -0.43 2.35 -1.13 -2.39 115.58 115.13 1kn0 h ASN 176 Ca -0.33 -0.29 0.00 0.00 -0.55 0.00 0.00 56.30 55.13 1kn0 h ASN 176 Cb 2.08 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 40.17 1kn0 h ASN 176 CO 0.17 1.09 0.00 0.29 -1.65 0.00 0.00 177.43 177.33 1kn0 n LYS 177 N -4.18 0.47 -4.38 0.81 5.02 -1.02 -4.72 118.16 110.16 1kn0 n LYS 177 Ca 0.03 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.08 1kn0 n LYS 177 Cb 0.34 -1.24 -0.11 0.00 -0.02 0.00 0.00 35.03 34.00 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 0.00 2.44 -0.43 -0.35 1.43 -0.90 -5.06 118.68 115.82 1kn0 s LEU 178 Ca 0.00 -0.87 -0.28 0.00 -1.03 0.00 0.00 54.13 51.95 1kn0 s LEU 178 Cb 0.00 -0.98 -0.08 0.00 0.03 0.00 0.00 46.19 45.16 1kn0 s LEU 178 CO 0.00 0.03 2.36 -2.65 0.23 0.00 0.00 176.35 176.32 1kn0 n PRO 179 N 0.25 1.25 -1.64 1.29 -0.02 -1.26 -4.81 135.00 130.06 1kn0 n PRO 179 Ca -0.13 0.18 -0.16 0.00 -2.02 0.00 0.00 63.50 61.38 1kn0 n PRO 179 Cb 0.57 -3.16 -0.11 0.00 -0.02 0.00 0.00 33.50 30.77 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 7.57 1.26 0.95 -0.52 3.00 -1.26 -4.88 118.95 125.06 1kn0 s ARG 180 Ca 1.03 -0.47 -0.11 0.00 -1.00 0.00 0.00 55.73 55.18 1kn0 s ARG 180 Cb -0.36 -4.99 0.11 0.00 0.00 0.00 0.00 34.95 29.71 1kn0 s ARG 180 CO 0.33 -5.41 0.84 0.00 0.00 0.00 0.00 175.30 171.05 1kn0 n GLN 181 N 8.19 -0.55 -3.87 5.12 10.64 -1.26 -5.01 117.38 130.64 1kn0 n GLN 181 Ca 0.42 -0.10 -0.32 0.00 -1.83 0.00 0.00 57.00 55.16 1kn0 n GLN 181 Cb 0.47 -2.16 -0.04 0.00 -0.86 0.00 0.00 30.24 27.65 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 -4.48 4.35 0.12 2.61 2.96 -1.26 -5.04 118.68 117.94 1kn0 s LEU 182 Ca 0.63 0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 54.67 1kn0 s LEU 182 Cb -0.22 -2.91 -0.13 0.00 0.50 0.00 0.00 46.19 43.43 1kn0 s LEU 182 CO 0.62 0.18 0.45 -2.65 -1.32 0.00 0.00 176.35 173.63 1kn0 n PRO 183 N 0.47 0.00 -2.68 0.98 -0.02 -1.26 -4.89 135.00 127.60 1kn0 n PRO 183 Ca -0.06 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.01 1kn0 n PRO 183 Cb 0.52 -0.79 -0.05 0.00 -0.02 0.00 0.00 33.50 33.15 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 1.86 4.58 0.04 2.45 2.01 -1.26 -5.02 118.68 123.35 1kn0 s LEU 184 Ca 0.50 1.97 -0.30 0.00 0.01 0.00 0.00 54.13 56.32 1kn0 s LEU 184 Cb -0.72 -3.61 -0.04 0.00 0.01 0.00 0.00 46.19 41.83 1kn0 s LEU 184 CO 0.41 0.02 0.96 -0.70 1.01 0.00 0.00 176.35 178.06 1kn0 s GLU 185 N -0.86 4.61 -0.43 1.70 2.12 -1.26 -5.01 118.70 119.57 1kn0 s GLU 185 Ca 0.44 1.41 -0.18 0.00 0.36 0.00 0.00 54.97 56.99 1kn0 s GLU 185 Cb -0.27 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.72 1kn0 s GLU 185 CO 0.33 0.06 0.51 0.08 -0.54 0.00 0.00 175.26 175.70 1kn0 s VAL 186 N 0.58 5.00 -0.71 3.70 1.01 -1.26 -5.02 120.40 123.70 1kn0 s VAL 186 Ca 0.49 -0.23 -0.27 0.00 0.00 0.00 0.00 61.98 61.98 1kn0 s VAL 186 Cb -0.22 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.08 1kn0 s VAL 186 CO 0.28 -0.50 1.37 -0.62 0.00 0.00 0.00 175.10 175.64 1kn0 s ASP 187 N 1.91 6.03 -0.19 3.32 2.15 -1.26 -4.87 116.67 123.76 1kn0 s ASP 187 Ca 0.15 -0.30 0.04 0.00 0.43 0.00 0.00 52.55 52.87 1kn0 s ASP 187 Cb -0.16 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.26 1kn0 s ASP 187 CO 0.15 -1.91 1.35 0.18 -0.17 0.00 0.00 175.17 174.77 1kn0 n LEU 188 N 9.89 4.38 -0.03 -1.34 4.77 -1.26 -4.40 117.00 129.00 1kn0 n LEU 188 Ca 0.06 -2.27 -0.14 0.00 -0.03 0.00 0.00 56.01 53.63 1kn0 n LEU 188 Cb 0.49 -0.64 -0.10 0.00 -2.33 0.00 0.00 43.42 40.84 1kn0 n LEU 188 CO 0.71 0.66 0.54 0.71 -1.33 0.00 0.00 177.39 178.69 1kn0 h THR 189 N 0.98 1.44 -0.54 -5.08 1.35 -2.04 -3.15 112.91 105.87 1kn0 h THR 189 Ca 0.21 -1.48 -0.20 0.00 -0.55 0.00 0.00 66.41 64.40 1kn0 h THR 189 Cb 1.71 2.30 -0.12 0.00 -1.73 0.00 0.00 68.15 70.31 1kn0 h THR 189 CO 0.45 0.41 0.25 0.29 -0.25 0.00 0.00 175.52 176.67 1kn0 n LYS 190 N -4.65 2.57 -2.22 4.72 5.02 -1.26 -4.95 118.16 117.38 1kn0 n LYS 190 Ca -0.08 -2.02 -0.36 0.00 -2.02 0.00 0.00 58.31 53.83 1kn0 n LYS 190 Cb 0.37 -1.87 0.00 0.00 -0.02 0.00 0.00 35.03 33.51 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 -2.16 2.77 0.12 7.82 0.00 -1.19 -4.95 121.76 124.16 1kn0 s ALA 191 Ca 0.37 0.89 -0.31 0.00 0.00 0.00 0.00 51.96 52.91 1kn0 s ALA 191 Cb 0.30 -3.38 -0.09 0.00 0.00 0.00 0.00 23.12 19.95 1kn0 s ALA 191 CO 0.09 -0.79 1.53 0.21 0.00 0.00 0.00 175.76 176.80 1kn0 s LYS 192 N -3.10 4.24 -0.00 0.00 2.20 -1.26 -4.90 119.74 116.93 1kn0 s LYS 192 Ca 0.70 2.25 0.03 0.00 -0.36 0.00 0.00 55.97 58.60 1kn0 s LYS 192 Cb -0.26 -3.31 -0.04 0.00 -1.51 0.00 0.00 37.83 32.71 1kn0 s LYS 192 CO 0.30 -0.59 0.12 0.54 -0.36 0.00 0.00 175.35 175.36 1kn0 n ARG 193 N 4.44 5.11 -3.99 4.03 1.74 -1.26 -5.06 116.66 121.67 1kn0 n ARG 193 Ca 0.14 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.12 1kn0 n ARG 193 Cb 0.40 -0.71 -0.08 0.00 -1.02 0.00 0.00 32.46 31.05 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 -1.43 0.95 0.03 5.56 1.03 -1.26 -5.11 119.66 119.42 1kn0 s GLN 194 Ca 0.01 -1.18 -0.19 0.00 0.04 0.00 0.00 55.36 54.03 1kn0 s GLN 194 Cb 0.02 0.32 -0.11 0.00 0.03 0.00 0.00 33.01 33.27 1kn0 s GLN 194 CO 0.13 -0.30 1.22 -0.44 -2.54 0.00 0.00 175.29 173.35 1kn0 h ASP 195 N 2.75 -0.59 -1.87 12.60 3.32 -2.05 -3.46 116.42 127.12 1kn0 h ASP 195 Ca -0.33 0.02 -0.58 0.00 0.02 0.00 0.00 57.03 56.16 1kn0 h ASP 195 Cb 1.20 0.15 0.17 0.00 0.22 0.00 0.00 39.33 41.07 1kn0 h ASP 195 CO 0.55 -0.41 -1.07 -0.11 -1.72 0.00 0.00 179.24 176.49 1kn0 n LEU 196 N -4.00 -3.38 -3.40 1.55 7.94 -1.26 -4.99 117.00 109.46 1kn0 n LEU 196 Ca -0.09 0.65 -0.27 0.00 -1.11 0.00 0.00 56.01 55.20 1kn0 n LEU 196 Cb 0.28 -0.82 -0.10 0.00 0.53 0.00 0.00 43.42 43.31 1kn0 n LEU 196 CO 0.21 -4.49 -0.29 -1.61 -1.11 0.00 0.00 177.39 170.10 1kn0 s GLU 197 N -0.96 0.71 0.20 1.96 0.41 -1.26 -5.03 118.70 114.74 1kn0 s GLU 197 Ca 0.55 -1.60 -0.10 0.00 -0.41 0.00 0.00 54.97 53.41 1kn0 s GLU 197 Cb -0.50 -1.26 0.26 0.00 -1.78 0.00 0.00 34.13 30.86 1kn0 s GLU 197 CO 0.63 -1.29 1.72 -1.35 -0.49 0.00 0.00 175.26 174.48 1kn0 h PRO 198 N 6.41 0.30 -0.28 0.39 0.11 -1.98 0.25 132.00 137.20 1kn0 h PRO 198 Ca 0.14 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 66.30 1kn0 h PRO 198 Cb 0.96 -0.07 -0.07 0.00 0.11 0.00 0.00 31.00 31.93 1kn0 h PRO 198 CO 0.29 0.20 -0.15 1.03 -0.21 0.00 0.00 178.00 179.16 1kn0 h SER 199 N 0.31 -0.50 0.61 -2.05 0.87 -2.00 -0.89 113.55 109.90 1kn0 h SER 199 Ca 0.29 0.12 -0.03 0.00 -1.23 0.00 0.00 61.79 60.94 1kn0 h SER 199 Cb 0.40 0.27 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1kn0 h SER 199 CO -0.35 -0.19 -0.29 0.58 -0.53 0.00 0.00 176.83 176.05 1kn0 h VAL 200 N -0.12 0.16 -1.16 2.23 2.07 -1.83 -2.89 116.25 114.71 1kn0 h VAL 200 Ca 0.15 -0.36 0.35 0.00 0.82 0.00 0.00 66.70 67.66 1kn0 h VAL 200 Cb 0.34 0.23 -0.12 0.00 -1.52 0.00 0.00 31.29 30.22 1kn0 h VAL 200 CO -0.35 0.02 0.74 -0.08 0.02 0.00 0.00 177.57 177.92 1kn0 h GLU 201 N -1.13 0.23 0.42 1.57 4.57 -0.43 -0.73 114.58 119.07 1kn0 h GLU 201 Ca -0.08 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.06 1kn0 h GLU 201 Cb 0.67 -0.05 0.00 0.00 -0.16 0.00 0.00 28.75 29.21 1kn0 h GLU 201 CO 0.14 0.15 -0.20 1.49 -1.18 0.00 0.00 179.01 179.41 1kn0 h GLU 202 N 0.23 -0.54 -1.00 1.92 4.81 -1.12 -2.16 114.58 116.72 1kn0 h GLU 202 Ca 0.72 0.04 0.16 0.00 -0.13 0.00 0.00 59.36 60.15 1kn0 h GLU 202 Cb 2.04 0.12 -0.10 0.00 0.63 0.00 0.00 28.75 31.44 1kn0 h GLU 202 CO -0.40 -0.24 0.62 0.00 -0.73 0.00 0.00 179.01 178.27 1kn0 h ALA 203 N -0.67 1.62 -0.21 2.92 0.00 -0.98 -1.68 119.26 120.26 1kn0 h ALA 203 Ca -0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 1kn0 h ALA 203 Cb 0.56 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1kn0 h ALA 203 CO 0.09 0.06 -0.04 -0.09 0.00 0.00 0.00 179.25 179.27 1kn0 h ARG 204 N 0.86 0.40 -0.92 0.00 2.43 -1.21 -2.62 114.38 113.32 1kn0 h ARG 204 Ca 0.55 -0.15 0.06 0.00 -0.81 0.00 0.00 59.98 59.63 1kn0 h ARG 204 Cb 0.74 -0.03 -0.06 0.00 -0.42 0.00 0.00 29.97 30.21 1kn0 h ARG 204 CO -0.33 0.64 0.60 -0.92 -1.51 0.00 0.00 179.97 178.44 1kn0 h TYR 205 N 0.14 1.08 0.00 2.20 3.20 -0.64 0.29 116.97 123.24 1kn0 h TYR 205 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1kn0 h TYR 205 Cb 0.48 -0.36 0.00 0.00 1.54 0.00 0.00 36.73 38.39 1kn0 h TYR 205 CO 0.05 0.58 0.00 0.09 -1.64 0.00 0.00 178.16 177.24 1kn0 n ASN 206 N -4.48 0.00 -0.65 -2.11 3.02 -0.82 -2.49 115.26 107.74 1kn0 n ASN 206 Ca 0.14 -0.44 0.13 0.00 -0.03 0.00 0.00 54.58 54.38 1kn0 n ASN 206 Cb 0.17 -0.14 0.38 0.00 -0.61 0.00 0.00 39.78 39.59 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 -1.14 2.02 -0.62 6.41 2.88 0.10 -5.08 113.62 118.19 1kn0 n SER 207 Ca 0.15 -1.67 0.08 0.00 -1.33 0.00 0.00 58.87 56.10 1kn0 n SER 207 Cb 0.14 -0.00 0.06 0.00 -0.75 0.00 0.00 64.21 63.66 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81