#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 3.64 0.00 0.00 5.36 -1.26 -0.62 117.98 125.09 1kn0 s PHE 26 Ca 0.00 1.62 0.00 0.00 -0.96 0.00 0.00 56.93 57.59 1kn0 s PHE 26 Cb 0.00 -3.20 0.00 0.00 -0.34 0.00 0.00 43.02 39.48 1kn0 s PHE 26 CO 0.00 -0.35 0.00 0.41 -1.46 0.00 0.00 175.22 173.82 1kn0 n GLY 27 N 2.65 2.64 0.12 13.12 0.00 0.13 -4.79 105.19 119.07 1kn0 n GLY 27 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.93 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 0.54 -1.43 1.61 1.13 -1.03 -4.10 117.38 112.09 1kn0 n GLN 28 Ca 0.00 0.22 -0.46 0.00 -1.94 0.00 0.00 57.00 54.82 1kn0 n GLN 28 Cb 0.00 -1.43 -0.02 0.00 0.11 0.00 0.00 30.24 28.90 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 -1.17 2.65 0.41 0.00 -0.21 -1.26 -3.39 119.66 116.69 1kn0 s GLN 30 Ca 0.62 -0.72 -0.26 0.00 0.02 0.00 0.00 55.36 55.02 1kn0 s GLN 30 Cb -0.82 -2.39 -0.09 0.00 1.00 0.00 0.00 33.01 30.72 1kn0 s GLN 30 CO 0.58 0.53 1.33 0.71 -2.12 0.00 0.00 175.29 176.32 1kn0 s TYR 31 N -0.48 2.74 0.40 0.91 1.51 -1.26 -5.00 117.35 116.16 1kn0 s TYR 31 Ca 0.06 1.37 -0.08 0.00 -1.01 0.00 0.00 57.07 57.41 1kn0 s TYR 31 Cb -0.12 -3.73 -0.05 0.00 -0.11 0.00 0.00 41.96 37.94 1kn0 s TYR 31 CO 0.02 -2.29 0.73 0.95 -1.11 0.00 0.00 175.55 173.84 1kn0 s THR 32 N -1.24 4.87 0.23 -0.71 -4.23 -1.26 -4.84 115.64 108.46 1kn0 s THR 32 Ca 0.57 0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.35 1kn0 s THR 32 Cb -0.39 -3.77 0.29 0.00 1.34 0.00 0.00 72.50 69.97 1kn0 s THR 32 CO 0.51 -0.56 1.61 0.00 -0.54 0.00 0.00 174.62 175.63 1kn0 h ALA 33 N 1.08 0.47 -0.31 3.99 0.00 -1.99 0.19 119.26 122.69 1kn0 h ALA 33 Ca -0.47 0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.74 1kn0 h ALA 33 Cb 1.19 0.56 -0.02 0.00 0.00 0.00 0.00 17.79 19.52 1kn0 h ALA 33 CO 0.64 -0.42 0.16 0.93 0.00 0.00 0.00 179.25 180.56 1kn0 h GLU 34 N -0.00 0.32 -0.27 0.00 3.07 -2.00 -0.83 114.58 114.87 1kn0 h GLU 34 Ca 0.35 -0.02 -0.19 0.00 -0.50 0.00 0.00 59.36 59.00 1kn0 h GLU 34 Cb 0.54 -0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 1kn0 h GLU 34 CO -0.75 0.21 -0.58 1.49 -1.40 0.00 0.00 179.01 177.98 1kn0 h GLU 35 N 0.33 0.87 0.10 2.33 4.81 -1.68 -2.40 114.58 118.95 1kn0 h GLU 35 Ca 0.13 -0.57 0.01 0.00 -0.13 0.00 0.00 59.36 58.79 1kn0 h GLU 35 Cb 0.03 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1kn0 h GLU 35 CO -0.08 1.21 -0.17 -0.92 -0.73 0.00 0.00 179.01 178.31 1kn0 h TYR 36 N 0.65 -0.46 -0.21 0.92 3.20 -0.51 -1.31 116.97 119.27 1kn0 h TYR 36 Ca 0.00 0.01 0.04 0.00 3.14 0.00 0.00 58.73 61.93 1kn0 h TYR 36 Cb 1.19 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 39.61 1kn0 h TYR 36 CO 0.08 -0.26 -0.08 0.37 -1.64 0.00 0.00 178.16 176.63 1kn0 h GLN 37 N -0.34 -0.04 0.28 1.82 4.15 -1.15 0.18 115.11 120.01 1kn0 h GLN 37 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.45 1kn0 h GLN 37 Cb 0.36 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 1kn0 h GLN 37 CO -0.09 -0.03 -0.31 0.00 -1.93 0.00 0.00 178.83 176.47 1kn0 h ALA 38 N 1.15 -0.64 -0.84 3.38 0.00 -1.28 -1.11 119.26 119.93 1kn0 h ALA 38 Ca 0.11 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1kn0 h ALA 38 Cb 0.20 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.41 1kn0 h ALA 38 CO -0.24 -0.90 0.44 0.82 0.00 0.00 0.00 179.25 179.38 1kn0 h ILE 39 N -0.63 1.25 -0.69 0.00 2.04 -1.13 0.76 117.51 119.10 1kn0 h ILE 39 Ca -0.01 -0.65 0.03 0.00 1.00 0.00 0.00 64.86 65.24 1kn0 h ILE 39 Cb 0.59 0.13 -0.04 0.00 -0.74 0.00 0.00 36.82 36.76 1kn0 h ILE 39 CO -0.08 0.29 0.43 -0.61 0.00 0.00 0.00 178.15 178.17 1kn0 h GLN 40 N 1.19 0.82 -0.05 2.37 5.75 -0.27 -0.62 115.11 124.29 1kn0 h GLN 40 Ca 0.29 -0.05 -0.04 0.00 -0.15 0.00 0.00 58.65 58.70 1kn0 h GLN 40 Cb 0.06 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.42 1kn0 h GLN 40 CO -0.04 0.54 -0.13 0.87 -2.65 0.00 0.00 178.83 177.42 1kn0 h LYS 41 N 0.84 0.18 -0.32 1.69 1.57 -0.86 -3.32 116.57 116.36 1kn0 h LYS 41 Ca 0.28 -0.12 0.07 0.00 -1.87 0.00 0.00 60.65 59.00 1kn0 h LYS 41 Cb 0.02 0.02 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 1kn0 h LYS 41 CO -0.11 0.72 -0.12 0.00 -0.57 0.00 0.00 179.45 179.38 1kn0 h ALA 42 N 0.45 0.16 -0.13 3.86 0.00 -0.60 -1.86 119.26 121.14 1kn0 h ALA 42 Ca -0.00 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1kn0 h ALA 42 Cb 0.73 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1kn0 h ALA 42 CO 0.03 -0.50 0.32 -0.07 0.00 0.00 0.00 179.25 179.03 1kn0 h LEU 43 N -0.05 0.00 -0.90 0.00 3.38 -1.21 -1.00 115.31 115.53 1kn0 h LEU 43 Ca 0.16 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.02 1kn0 h LEU 43 Cb 0.29 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1kn0 h LEU 43 CO -0.36 0.00 -0.37 0.03 0.09 0.00 0.00 178.44 177.83 1kn0 h ARG 44 N 0.00 0.35 -6.35 1.13 3.08 -1.44 0.18 114.38 111.33 1kn0 h ARG 44 Ca 0.06 -0.16 -0.61 0.00 0.07 0.00 0.00 59.98 59.35 1kn0 h ARG 44 Cb 0.71 -0.01 0.14 0.00 0.08 0.00 0.00 29.97 30.89 1kn0 h ARG 44 CO -0.00 0.68 -0.31 1.04 -1.07 0.00 0.00 179.97 180.30 1kn0 n GLN 45 N -4.05 0.67 -3.80 0.04 6.02 -0.38 -4.56 117.38 111.31 1kn0 n GLN 45 Ca -0.01 0.24 -0.27 0.00 -0.01 0.00 0.00 57.00 56.95 1kn0 n GLN 45 Cb 0.47 -1.55 -0.03 0.00 1.02 0.00 0.00 30.24 30.14 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 -1.58 3.49 0.39 -1.09 0.52 -1.26 -1.47 118.95 117.94 1kn0 s ARG 46 Ca 0.63 -0.44 -0.23 0.00 -0.52 0.00 0.00 55.73 55.17 1kn0 s ARG 46 Cb -0.63 -2.90 -0.11 0.00 0.52 0.00 0.00 34.95 31.83 1kn0 s ARG 46 CO 0.58 0.46 0.95 -0.51 0.02 0.00 0.00 175.30 176.80 1kn0 s LEU 47 N -3.20 4.10 0.85 2.53 2.01 -1.26 -4.94 118.68 118.76 1kn0 s LEU 47 Ca 0.37 1.74 -0.13 0.00 0.01 0.00 0.00 54.13 56.12 1kn0 s LEU 47 Cb -0.11 -4.33 0.12 0.00 0.01 0.00 0.00 46.19 41.87 1kn0 s LEU 47 CO 0.29 -0.25 1.21 -0.83 1.01 0.00 0.00 176.35 177.78 1kn0 s GLY 48 N -1.96 1.66 0.00 -3.19 0.00 -1.26 -4.92 107.32 97.65 1kn0 s GLY 48 Ca 0.57 -0.87 0.09 0.00 0.00 0.00 0.00 44.72 44.52 1kn0 s GLY 48 CO 0.17 -0.29 1.24 -1.05 0.00 0.00 0.00 173.10 173.17 1kn0 n PRO 49 N -3.42 0.05 0.04 2.90 -0.02 -1.26 -2.06 135.00 131.24 1kn0 n PRO 49 Ca 0.10 0.29 0.09 0.00 -2.02 0.00 0.00 63.50 61.96 1kn0 n PRO 49 Cb 0.60 -1.50 0.40 0.00 -0.02 0.00 0.00 33.50 32.98 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 -1.41 0.07 -0.09 -0.52 4.71 -1.26 -3.29 120.64 118.85 1kn0 n GLU 50 Ca 0.03 0.27 -0.09 0.00 -0.01 0.00 0.00 57.16 57.36 1kn0 n GLU 50 Cb 0.09 -1.62 -0.12 0.00 -1.01 0.00 0.00 31.44 28.78 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 -1.74 0.00 -2.02 -0.32 4.02 -0.87 -5.02 117.16 111.21 1kn0 n TYR 51 Ca 0.04 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.60 1kn0 n TYR 51 Cb 0.22 -0.81 0.02 0.00 -0.02 0.00 0.00 39.34 38.74 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 -2.40 3.61 0.21 -0.72 -1.09 -1.21 -4.36 121.20 115.24 1kn0 s ILE 52 Ca -0.12 0.79 0.02 0.00 -2.23 0.00 0.00 60.65 59.11 1kn0 s ILE 52 Cb 0.05 -3.31 -0.01 0.00 -1.58 0.00 0.00 42.46 37.62 1kn0 s ILE 52 CO 0.63 -0.42 0.23 -1.20 -1.23 0.00 0.00 174.94 172.95 1kn0 n SER 53 N -2.00 -0.61 -3.51 3.58 7.64 -0.15 -4.97 113.62 113.60 1kn0 n SER 53 Ca 0.09 -2.27 -0.13 0.00 1.01 0.00 0.00 58.87 57.58 1kn0 n SER 53 Cb 0.52 1.26 -0.04 0.00 -1.01 0.00 0.00 64.21 64.94 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 -2.39 -0.48 0.04 6.43 1.04 -1.26 -2.41 113.70 114.68 1kn0 s SER 54 Ca 0.22 0.06 -0.01 0.00 0.48 0.00 0.00 55.95 56.70 1kn0 s SER 54 Cb 0.00 0.54 -0.04 0.00 0.10 0.00 0.00 66.02 66.63 1kn0 s SER 54 CO 0.15 -0.85 -0.03 -0.13 0.98 0.00 0.00 173.24 173.37 1kn0 s ARG 55 N -3.16 0.56 -0.53 4.02 0.52 -0.58 -4.97 118.95 114.81 1kn0 s ARG 55 Ca -0.02 -1.11 -0.18 0.00 -0.52 0.00 0.00 55.73 53.91 1kn0 s ARG 55 Cb -0.00 0.19 0.08 0.00 0.52 0.00 0.00 34.95 35.74 1kn0 s ARG 55 CO -0.08 -0.10 0.60 1.41 0.02 0.00 0.00 175.30 177.15 1kn0 s MET 56 N -3.47 3.07 0.17 3.54 1.75 -1.26 -1.22 119.30 121.88 1kn0 s MET 56 Ca 0.03 -1.15 -0.33 0.00 -1.25 0.00 0.00 55.69 52.98 1kn0 s MET 56 Cb 0.05 -4.17 -0.15 0.00 2.84 0.00 0.00 34.83 33.40 1kn0 s MET 56 CO -0.08 -1.29 1.38 0.00 -0.65 0.00 0.00 175.02 174.38 1kn0 n ALA 57 N 5.98 0.33 -1.54 4.11 0.00 -0.24 -4.74 120.51 124.40 1kn0 n ALA 57 Ca -0.09 0.45 -0.33 0.00 0.00 0.00 0.00 53.44 53.48 1kn0 n ALA 57 Cb 0.44 -2.20 -0.07 0.00 0.00 0.00 0.00 19.45 17.63 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 2.51 -0.02 1.66 0.00 0.00 -1.26 -1.20 105.19 106.88 1kn0 n GLY 58 Ca 0.15 0.66 0.00 0.00 0.00 0.00 0.00 46.02 46.83 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 6.20 2.39 0.97 -0.02 0.00 -1.26 -4.99 105.19 108.48 1kn0 n GLY 59 Ca 0.45 -0.37 -0.07 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.37 0.00 -0.02 0.00 -0.34 -5.09 105.19 98.37 1kn0 n GLY 60 Ca 0.00 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -1.79 1.44 -2.84 1.61 3.00 -1.26 -4.11 117.38 113.43 1kn0 n GLN 61 Ca 0.04 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.61 1kn0 n GLN 61 Cb 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.35 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 0.00 4.25 -0.23 -1.09 2.20 -1.26 -1.08 119.74 122.53 1kn0 s LYS 62 Ca 0.00 1.07 -0.07 0.00 -0.36 0.00 0.00 55.97 56.60 1kn0 s LYS 62 Cb 0.00 -3.61 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1kn0 s LYS 62 CO 0.00 -0.46 0.07 0.08 -0.36 0.00 0.00 175.35 174.68 1kn0 s VAL 63 N 2.61 4.49 0.19 4.02 1.01 -0.36 -4.95 120.40 127.42 1kn0 s VAL 63 Ca 0.38 -0.12 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1kn0 s VAL 63 Cb -0.16 -3.07 -0.07 0.00 0.00 0.00 0.00 36.38 33.08 1kn0 s VAL 63 CO 0.09 0.37 0.56 0.00 0.00 0.00 0.00 175.10 176.13 1kn0 s TYR 65 N -1.65 -0.01 -0.16 0.00 -0.85 -1.01 -4.96 117.35 108.72 1kn0 s TYR 65 Ca 0.43 -0.55 0.02 0.00 -0.52 0.00 0.00 57.07 56.44 1kn0 s TYR 65 Cb -0.13 0.75 0.01 0.00 0.38 0.00 0.00 41.96 42.97 1kn0 s TYR 65 CO 0.20 -1.39 -0.20 0.42 -1.52 0.00 0.00 175.55 173.05 1kn0 s ILE 66 N -3.14 2.15 0.58 -3.49 1.01 -1.26 -0.98 121.20 116.08 1kn0 s ILE 66 Ca 0.14 -0.93 -0.20 0.00 0.00 0.00 0.00 60.65 59.65 1kn0 s ILE 66 Cb -0.05 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.49 1kn0 s ILE 66 CO 0.09 0.54 1.20 -0.62 0.00 0.00 0.00 174.94 176.16 1kn0 n GLU 67 N 4.28 1.30 -0.02 2.79 1.02 -1.26 -4.83 120.64 123.92 1kn0 n GLU 67 Ca -0.20 0.49 -0.09 0.00 -0.02 0.00 0.00 57.16 57.34 1kn0 n GLU 67 Cb 0.51 -2.41 -0.02 0.00 -0.02 0.00 0.00 31.44 29.50 1kn0 n GLU 67 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 1kn0 h GLY 68 N 0.94 -0.08 1.61 0.62 0.00 -1.99 -2.40 103.07 101.78 1kn0 h GLY 68 Ca -0.50 0.21 0.05 0.00 0.00 0.00 0.00 47.33 47.09 1kn0 h GLY 68 CO 0.54 -0.16 0.15 1.12 0.00 0.00 0.00 176.54 178.18 1kn0 h HIS 69 N -0.19 0.00 0.74 5.60 2.07 -1.99 -0.86 115.15 120.51 1kn0 h HIS 69 Ca 0.11 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.59 1kn0 h HIS 69 Cb 0.36 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.34 1kn0 h HIS 69 CO -0.30 0.00 -0.36 0.00 -3.07 0.00 0.00 177.93 174.20 1kn0 h ARG 70 N 0.00 -0.96 -0.99 5.12 2.47 -1.80 -1.84 114.38 116.38 1kn0 h ARG 70 Ca 0.08 0.07 0.19 0.00 -1.26 0.00 0.00 59.98 59.06 1kn0 h ARG 70 Cb 0.37 0.22 -0.10 0.00 -1.65 0.00 0.00 29.97 28.81 1kn0 h ARG 70 CO -0.00 -0.64 0.61 0.28 0.56 0.00 0.00 179.97 180.78 1kn0 h VAL 71 N -1.18 0.71 0.57 2.04 2.07 -1.20 0.12 116.25 119.37 1kn0 h VAL 71 Ca -0.10 -0.24 -0.03 0.00 0.82 0.00 0.00 66.70 67.15 1kn0 h VAL 71 Cb 0.76 -0.07 0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1kn0 h VAL 71 CO 0.17 0.13 -0.27 0.40 0.02 0.00 0.00 177.57 178.01 1kn0 h ILE 72 N 0.71 0.43 -0.99 4.57 2.04 -1.07 -1.97 117.51 121.23 1kn0 h ILE 72 Ca 0.56 -0.08 0.03 0.00 1.00 0.00 0.00 64.86 66.36 1kn0 h ILE 72 Cb 0.95 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.44 1kn0 h ILE 72 CO -0.34 0.01 0.65 0.78 0.00 0.00 0.00 178.15 179.26 1kn0 h ASN 73 N -0.81 1.11 -0.38 1.72 2.35 -0.38 -0.51 115.58 118.67 1kn0 h ASN 73 Ca -0.08 -0.02 0.08 0.00 -0.55 0.00 0.00 56.30 55.73 1kn0 h ASN 73 Cb 0.60 -0.26 -0.07 0.00 0.05 0.00 0.00 38.32 38.64 1kn0 h ASN 73 CO 0.13 0.77 -0.11 -0.07 -1.65 0.00 0.00 177.43 176.50 1kn0 h LEU 74 N 1.29 -0.40 -0.29 1.61 3.38 -0.65 -1.17 115.31 119.08 1kn0 h LEU 74 Ca 0.38 0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.45 1kn0 h LEU 74 Cb -0.06 0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1kn0 h LEU 74 CO -0.11 -0.14 0.10 0.00 0.09 0.00 0.00 178.44 178.38 1kn0 h ALA 75 N 1.34 0.38 -0.16 1.53 0.00 -0.60 0.13 119.26 121.88 1kn0 h ALA 75 Ca 0.18 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 55.00 1kn0 h ALA 75 Cb 0.30 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1kn0 h ALA 75 CO -0.40 -0.00 0.15 -0.91 0.00 0.00 0.00 179.25 178.08 1kn0 h ASN 76 N 0.32 0.00 0.00 0.00 2.35 -0.54 0.38 115.58 118.08 1kn0 h ASN 76 Ca 0.10 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 1kn0 h ASN 76 Cb 0.22 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.58 1kn0 h ASN 76 CO -0.01 0.00 -0.22 -0.33 -1.65 0.00 0.00 177.43 175.23 1kn0 h GLU 77 N 0.00 0.00 -0.98 0.81 4.39 -0.74 0.13 114.58 118.19 1kn0 h GLU 77 Ca 0.08 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.92 1kn0 h GLU 77 Cb 0.37 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 28.93 1kn0 h GLU 77 CO -0.00 0.61 0.60 0.52 -1.16 0.00 0.00 179.01 179.58 1kn0 h MET 78 N -1.00 0.85 0.00 2.33 2.86 -0.62 -3.31 114.93 116.05 1kn0 h MET 78 Ca -0.05 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.54 1kn0 h MET 78 Cb 0.70 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1kn0 h MET 78 CO -0.03 0.56 -1.10 1.19 1.06 0.00 0.00 176.91 178.59 1kn0 n PHE 79 N -4.70 0.00 0.00 -0.22 3.01 0.09 -4.91 117.46 110.73 1kn0 n PHE 79 Ca 0.20 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.66 1kn0 n PHE 79 Cb 0.42 -0.07 0.00 0.00 -0.01 0.00 0.00 39.48 39.82 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 2.27 1.50 0.52 1.37 0.00 0.45 -3.49 105.19 107.81 1kn0 n GLY 80 Ca -0.01 -1.64 0.33 0.00 0.00 0.00 0.00 46.02 44.70 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 -1.87 0.67 116.97 117.22 1kn0 h TYR 81 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.71 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 -0.04 0.27 -0.00 0.00 0.00 178.16 178.39 1kn0 n ASN 82 N -3.92 2.99 -0.03 0.10 6.94 -1.26 -4.51 115.26 115.56 1kn0 n ASN 82 Ca 0.23 -3.19 0.08 0.00 -0.02 0.00 0.00 54.58 51.68 1kn0 n ASN 82 Cb 1.22 -0.51 -0.09 0.00 -2.36 0.00 0.00 39.78 38.04 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 -0.98 -0.55 3.09 4.83 0.00 0.23 -4.79 105.19 107.01 1kn0 n GLY 83 Ca 0.21 -0.48 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.56 0.55 0.15 1.61 1.48 -1.25 -1.04 118.94 117.88 1kn0 s TRP 84 Ca 0.07 -0.99 -0.15 0.00 -1.06 0.00 0.00 56.10 53.97 1kn0 s TRP 84 Cb 0.13 -0.39 0.03 0.00 -1.16 0.00 0.00 33.47 32.08 1kn0 s TRP 84 CO 0.68 -0.33 0.41 0.00 -4.06 0.00 0.00 176.95 173.65 1kn0 s ALA 85 N -3.61 -0.82 0.06 2.67 0.00 0.51 -4.97 121.76 115.60 1kn0 s ALA 85 Ca 0.05 -0.19 -0.11 0.00 0.00 0.00 0.00 51.96 51.71 1kn0 s ALA 85 Cb 0.06 0.74 0.01 0.00 0.00 0.00 0.00 23.12 23.93 1kn0 s ALA 85 CO -0.08 -0.68 0.25 -3.38 0.00 0.00 0.00 175.76 171.87 1kn0 s HIS 86 N -3.84 0.00 0.01 0.00 -3.43 -1.26 0.05 115.29 106.83 1kn0 s HIS 86 Ca 0.06 -0.26 -0.13 0.00 -0.80 0.00 0.00 55.06 53.93 1kn0 s HIS 86 Cb 0.01 0.03 0.02 0.00 -1.43 0.00 0.00 32.58 31.21 1kn0 s HIS 86 CO -0.09 -0.51 0.27 -1.54 -2.00 0.00 0.00 174.74 170.88 1kn0 s SER 87 N -2.34 -0.11 -0.41 7.38 1.04 -0.48 -4.98 113.70 113.79 1kn0 s SER 87 Ca -0.02 -0.10 -0.20 0.00 0.48 0.00 0.00 55.95 56.11 1kn0 s SER 87 Cb 0.01 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.45 1kn0 s SER 87 CO -0.06 -0.51 0.62 -0.63 0.98 0.00 0.00 173.24 173.64 1kn0 s ILE 88 N -1.89 4.88 0.16 -1.02 1.01 -1.26 -1.34 121.20 121.73 1kn0 s ILE 88 Ca -0.10 0.24 -0.11 0.00 0.00 0.00 0.00 60.65 60.68 1kn0 s ILE 88 Cb -0.04 -4.14 0.01 0.00 0.01 0.00 0.00 42.46 38.31 1kn0 s ILE 88 CO 0.00 -0.47 1.57 0.74 0.00 0.00 0.00 174.94 176.78 1kn0 h THR 89 N 5.79 1.27 -1.42 2.92 2.02 -0.67 -3.47 112.91 119.34 1kn0 h THR 89 Ca -0.26 -1.27 0.15 0.00 0.77 0.00 0.00 66.41 65.80 1kn0 h THR 89 Cb 1.10 1.06 -0.24 0.00 -1.74 0.00 0.00 68.15 68.33 1kn0 h THR 89 CO 0.86 0.44 0.70 -1.58 0.37 0.00 0.00 175.52 176.31 1kn0 s GLN 90 N -4.80 0.41 -0.04 6.66 0.74 -1.19 -5.00 119.66 116.44 1kn0 s GLN 90 Ca -0.12 0.06 0.01 0.00 0.05 0.00 0.00 55.36 55.36 1kn0 s GLN 90 Cb 0.12 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.45 1kn0 s GLN 90 CO 0.85 -0.13 -0.04 -1.14 -0.55 0.00 0.00 175.29 174.28 1kn0 s GLN 91 N -1.27 0.77 -0.08 1.67 0.74 -1.26 0.22 119.66 120.45 1kn0 s GLN 91 Ca 0.03 -0.08 0.02 0.00 0.05 0.00 0.00 55.36 55.39 1kn0 s GLN 91 Cb -0.01 -0.82 0.01 0.00 1.10 0.00 0.00 33.01 33.30 1kn0 s GLN 91 CO -0.02 -0.10 -0.14 1.21 -0.55 0.00 0.00 175.29 175.68 1kn0 s ASN 92 N 1.00 2.06 -0.66 6.67 2.47 -0.25 -5.00 114.94 121.22 1kn0 s ASN 92 Ca -0.10 -0.35 -0.27 0.00 0.42 0.00 0.00 52.86 52.56 1kn0 s ASN 92 Cb -0.14 -0.94 0.03 0.00 -1.45 0.00 0.00 41.25 38.75 1kn0 s ASN 92 CO -0.00 0.04 1.21 -0.69 -3.72 0.00 0.00 177.10 173.94 1kn0 s VAL 93 N 0.71 3.91 0.13 -5.21 1.01 -1.26 -1.73 120.40 117.96 1kn0 s VAL 93 Ca -0.13 0.59 -0.19 0.00 0.00 0.00 0.00 61.98 62.25 1kn0 s VAL 93 Cb -0.16 -4.81 -0.04 0.00 0.00 0.00 0.00 36.38 31.38 1kn0 s VAL 93 CO 0.03 -1.58 1.74 0.44 0.00 0.00 0.00 175.10 175.73 1kn0 h ASP 94 N 9.76 0.02 -4.87 3.32 3.32 -1.11 -3.47 116.42 123.39 1kn0 h ASP 94 Ca -0.27 0.03 0.02 0.00 0.02 0.00 0.00 57.03 56.84 1kn0 h ASP 94 Cb 1.05 0.04 -0.13 0.00 0.22 0.00 0.00 39.33 40.51 1kn0 h ASP 94 CO 1.23 0.04 0.31 0.72 -1.72 0.00 0.00 179.24 179.81 1kn0 s PHE 95 N -6.18 -0.48 -0.35 4.55 -0.12 -1.11 -4.99 117.98 109.30 1kn0 s PHE 95 Ca -0.13 0.32 0.01 0.00 -0.05 0.00 0.00 56.93 57.08 1kn0 s PHE 95 Cb 0.10 0.55 0.14 0.00 -0.63 0.00 0.00 43.02 43.18 1kn0 s PHE 95 CO 0.69 -0.74 0.26 0.08 -0.05 0.00 0.00 175.22 175.47 1kn0 s VAL 96 N -3.42 -0.07 0.10 -2.49 1.01 -1.26 -2.16 120.40 112.11 1kn0 s VAL 96 Ca 0.02 -1.32 0.01 0.00 0.00 0.00 0.00 61.98 60.69 1kn0 s VAL 96 Cb -0.01 -0.95 -0.04 0.00 0.00 0.00 0.00 36.38 35.38 1kn0 s VAL 96 CO -0.11 -0.81 0.23 -1.81 0.00 0.00 0.00 175.10 172.61 1kn0 s ASP 97 N 1.35 6.29 -0.25 3.32 1.01 -0.40 -4.95 116.67 123.04 1kn0 s ASP 97 Ca 0.16 0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.65 1kn0 s ASP 97 Cb -0.19 -1.91 0.06 0.00 1.01 0.00 0.00 42.92 41.89 1kn0 s ASP 97 CO -0.05 0.12 -0.08 -0.22 0.21 0.00 0.00 175.17 175.15 1kn0 s LEU 98 N -2.82 3.03 -0.32 1.23 2.96 -1.26 -0.78 118.68 120.72 1kn0 s LEU 98 Ca 0.34 -1.30 -0.01 0.00 -0.22 0.00 0.00 54.13 52.94 1kn0 s LEU 98 Cb -0.12 -1.36 0.07 0.00 0.50 0.00 0.00 46.19 45.27 1kn0 s LEU 98 CO 0.28 -0.22 0.03 0.20 -1.32 0.00 0.00 176.35 175.32 1kn0 s ASN 99 N 1.25 4.90 -0.58 3.68 0.01 -0.38 -4.83 114.94 118.98 1kn0 s ASN 99 Ca -0.07 -1.51 -0.25 0.00 -0.71 0.00 0.00 52.86 50.33 1kn0 s ASN 99 Cb -0.19 -1.71 0.04 0.00 0.41 0.00 0.00 41.25 39.79 1kn0 s ASN 99 CO -0.06 -0.32 0.64 -0.46 -1.51 0.00 0.00 177.10 175.40 1kn0 n ASN 100 N 4.56 -5.35 0.00 -1.22 6.94 -1.26 -1.83 115.26 117.11 1kn0 n ASN 100 Ca -0.10 -0.43 0.00 0.00 -0.02 0.00 0.00 54.58 54.04 1kn0 n ASN 100 Cb 0.43 -1.78 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 -0.72 0.42 3.70 4.83 0.00 -1.26 -4.94 105.19 107.22 1kn0 n GLY 101 Ca -0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.51 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 -0.22 2.98 -0.17 1.61 1.02 -0.76 -4.36 119.74 119.84 1kn0 s LYS 102 Ca 0.00 -0.43 -0.08 0.00 0.02 0.00 0.00 55.97 55.48 1kn0 s LYS 102 Cb 0.00 -2.80 -0.04 0.00 -0.52 0.00 0.00 37.83 34.47 1kn0 s LYS 102 CO 0.00 0.69 0.10 -0.06 -0.92 0.00 0.00 175.35 175.16 1kn0 s PHE 103 N -0.95 3.39 -0.33 3.18 0.40 -0.08 -1.25 117.98 122.33 1kn0 s PHE 103 Ca 0.15 0.29 0.00 0.00 -0.60 0.00 0.00 56.93 56.77 1kn0 s PHE 103 Cb -0.11 -2.06 0.08 0.00 0.51 0.00 0.00 43.02 41.44 1kn0 s PHE 103 CO 0.05 0.37 0.05 0.71 0.70 0.00 0.00 175.22 177.10 1kn0 s TYR 104 N -0.05 3.49 -0.06 0.36 1.51 0.04 -3.73 117.35 118.92 1kn0 s TYR 104 Ca 0.08 -2.40 0.05 0.00 -1.01 0.00 0.00 57.07 53.79 1kn0 s TYR 104 Cb -0.12 -2.61 -0.02 0.00 -0.11 0.00 0.00 41.96 39.11 1kn0 s TYR 104 CO 0.00 -0.90 -0.20 0.08 -1.11 0.00 0.00 175.55 173.42 1kn0 s VAL 105 N 1.10 2.51 -0.10 0.71 1.01 0.48 -1.28 120.40 124.84 1kn0 s VAL 105 Ca 0.02 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.10 1kn0 s VAL 105 Cb -0.20 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.24 1kn0 s VAL 105 CO -0.04 0.57 -0.13 -0.83 0.00 0.00 0.00 175.10 174.67 1kn0 s GLY 106 N -0.37 0.94 0.04 4.51 0.00 -0.92 -2.02 107.32 109.50 1kn0 s GLY 106 Ca 0.03 -0.63 0.04 0.00 0.00 0.00 0.00 44.72 44.16 1kn0 s GLY 106 CO 0.02 0.35 -0.11 0.14 0.00 0.00 0.00 173.10 173.50 1kn0 s VAL 107 N 1.11 0.87 0.08 1.40 1.01 -0.26 -0.44 120.40 124.17 1kn0 s VAL 107 Ca -0.05 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.00 1kn0 s VAL 107 Cb -0.14 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1kn0 s VAL 107 CO -0.03 -0.15 -0.20 0.00 0.00 0.00 0.00 175.10 174.73 1kn0 s ALA 109 N -1.06 0.31 -0.25 0.00 0.00 -0.35 -1.09 121.76 119.32 1kn0 s ALA 109 Ca 0.06 -0.45 -0.03 0.00 0.00 0.00 0.00 51.96 51.54 1kn0 s ALA 109 Cb -0.10 0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.07 1kn0 s ALA 109 CO 0.03 -0.02 -0.04 -0.06 0.00 0.00 0.00 175.76 175.67 1kn0 s PHE 110 N -0.85 3.05 -0.05 0.00 0.40 0.13 0.38 117.98 121.05 1kn0 s PHE 110 Ca -0.07 -1.36 0.04 0.00 -0.60 0.00 0.00 56.93 54.94 1kn0 s PHE 110 Cb -0.06 -2.09 -0.03 0.00 0.51 0.00 0.00 43.02 41.35 1kn0 s PHE 110 CO -0.00 -0.68 -0.15 0.08 0.70 0.00 0.00 175.22 175.18 1kn0 s VAL 111 N 1.38 3.02 -0.17 -0.44 1.01 -0.62 0.13 120.40 124.71 1kn0 s VAL 111 Ca 0.02 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.27 1kn0 s VAL 111 Cb -0.16 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.06 1kn0 s VAL 111 CO -0.03 0.59 -0.19 -0.60 0.00 0.00 0.00 175.10 174.87 1kn0 s ARG 112 N -0.70 2.82 -0.08 2.72 3.52 -0.45 -1.15 118.95 125.63 1kn0 s ARG 112 Ca 0.11 -0.77 -0.04 0.00 -0.13 0.00 0.00 55.73 54.90 1kn0 s ARG 112 Cb -0.11 -2.44 -0.04 0.00 -1.56 0.00 0.00 34.95 30.81 1kn0 s ARG 112 CO 0.01 -0.19 0.09 0.08 -0.81 0.00 0.00 175.30 174.47 1kn0 s VAL 113 N 1.28 5.02 -0.00 7.11 1.01 0.10 -1.39 120.40 133.53 1kn0 s VAL 113 Ca 0.04 -0.06 0.02 0.00 0.00 0.00 0.00 61.98 61.97 1kn0 s VAL 113 Cb -0.13 -3.20 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 1kn0 s VAL 113 CO -0.11 0.55 -0.05 -1.58 0.00 0.00 0.00 175.10 173.90 1kn0 s GLN 114 N -1.18 0.41 0.55 2.72 0.74 0.11 -1.08 119.66 121.94 1kn0 s GLN 114 Ca 0.17 -0.21 -0.00 0.00 0.05 0.00 0.00 55.36 55.36 1kn0 s GLN 114 Cb -0.12 -0.38 0.03 0.00 1.10 0.00 0.00 33.01 33.64 1kn0 s GLN 114 CO 0.06 0.10 0.79 -0.51 -0.55 0.00 0.00 175.29 175.19 1kn0 s LEU 115 N -0.21 3.28 0.46 3.68 1.43 0.04 -0.36 118.68 126.99 1kn0 s LEU 115 Ca 0.01 0.11 0.31 0.00 -1.03 0.00 0.00 54.13 53.54 1kn0 s LEU 115 Cb -0.02 -2.97 1.60 0.00 0.03 0.00 0.00 46.19 44.83 1kn0 s LEU 115 CO -0.00 -1.12 1.95 0.07 0.23 0.00 0.00 176.35 177.47 1kn0 h LYS 116 N 0.04 0.00 -0.19 1.70 2.10 -1.39 -2.31 116.57 116.52 1kn0 h LYS 116 Ca -0.43 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.22 1kn0 h LYS 116 Cb 1.29 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.62 1kn0 h LYS 116 CO 0.54 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.59 1kn0 n ASP 117 N -2.63 2.37 0.00 7.07 5.75 -1.22 0.22 116.55 128.12 1kn0 n ASP 117 Ca -0.01 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 52.96 1kn0 n ASP 117 Cb 0.10 -0.12 0.00 0.00 -1.03 0.00 0.00 41.12 40.08 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 1.28 2.58 3.62 6.12 0.00 -0.87 -4.77 105.19 113.15 1kn0 n GLY 118 Ca 0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.80 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 1.08 -3.53 1.61 2.88 -1.26 -4.73 113.62 109.68 1kn0 n SER 119 Ca 0.00 0.92 -0.16 0.00 -1.33 0.00 0.00 58.87 58.30 1kn0 n SER 119 Cb 0.00 -1.38 -0.05 0.00 -0.75 0.00 0.00 64.21 62.03 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 -1.40 -0.57 -0.07 0.66 -0.85 -1.26 -0.78 117.35 113.09 1kn0 s TYR 120 Ca 0.69 0.82 -0.05 0.00 -0.52 0.00 0.00 57.07 58.01 1kn0 s TYR 120 Cb -0.48 0.40 0.02 0.00 0.38 0.00 0.00 41.96 42.29 1kn0 s TYR 120 CO 0.52 -0.64 0.17 -1.01 -1.52 0.00 0.00 175.55 173.07 1kn0 s HIS 121 N -1.86 -0.19 0.01 -3.49 3.76 -0.24 -4.99 115.29 108.29 1kn0 s HIS 121 Ca -0.08 0.47 0.04 0.00 -0.15 0.00 0.00 55.06 55.34 1kn0 s HIS 121 Cb -0.01 0.04 -0.01 0.00 1.11 0.00 0.00 32.58 33.71 1kn0 s HIS 121 CO 0.04 -0.11 -0.13 -2.00 -0.85 0.00 0.00 174.74 171.69 1kn0 s GLU 122 N 0.30 0.96 0.34 1.40 2.12 -1.26 0.01 118.70 122.57 1kn0 s GLU 122 Ca -0.02 -0.55 0.00 0.00 0.36 0.00 0.00 54.97 54.76 1kn0 s GLU 122 Cb -0.03 -0.94 0.00 0.00 0.26 0.00 0.00 34.13 33.42 1kn0 s GLU 122 CO -0.01 0.25 0.44 -3.47 -0.54 0.00 0.00 175.26 171.93 1kn0 n ASP 123 N 2.46 -1.21 -4.70 -1.70 -0.08 -0.30 -4.93 116.55 106.09 1kn0 n ASP 123 Ca -0.15 -2.91 -0.35 0.00 -1.51 0.00 0.00 54.79 49.86 1kn0 n ASP 123 Cb 0.55 2.32 -0.09 0.00 2.34 0.00 0.00 41.12 46.24 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 -2.91 4.47 0.24 5.18 1.01 -1.26 -1.59 120.40 125.55 1kn0 s VAL 124 Ca 0.31 -0.18 0.11 0.00 0.00 0.00 0.00 61.98 62.21 1kn0 s VAL 124 Cb -0.00 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1kn0 s VAL 124 CO 0.22 0.60 -0.15 -0.83 0.00 0.00 0.00 175.10 174.94 1kn0 s GLY 125 N -0.81 1.77 -0.02 4.51 0.00 0.16 -4.49 107.32 108.44 1kn0 s GLY 125 Ca 0.13 -1.71 0.01 0.00 0.00 0.00 0.00 44.72 43.14 1kn0 s GLY 125 CO 0.02 -1.77 -0.02 -0.47 0.00 0.00 0.00 173.10 170.86 1kn0 s TYR 126 N -2.15 0.42 0.01 1.90 5.04 -1.25 -1.21 117.35 120.11 1kn0 s TYR 126 Ca 0.27 -0.07 0.05 0.00 -2.44 0.00 0.00 57.07 54.88 1kn0 s TYR 126 Cb -0.07 -0.39 -0.03 0.00 0.35 0.00 0.00 41.96 41.83 1kn0 s TYR 126 CO 0.15 -0.09 -0.12 0.20 -1.34 0.00 0.00 175.55 174.35 1kn0 s GLY 127 N 0.55 1.66 0.02 8.97 0.00 0.15 -3.97 107.32 114.70 1kn0 s GLY 127 Ca -0.06 -1.07 0.00 0.00 0.00 0.00 0.00 44.72 43.59 1kn0 s GLY 127 CO -0.01 -0.94 -0.03 0.14 0.00 0.00 0.00 173.10 172.27 1kn0 s VAL 128 N -0.94 0.12 -0.19 1.40 1.01 -1.26 -1.10 120.40 119.44 1kn0 s VAL 128 Ca 0.15 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.24 1kn0 s VAL 128 Cb -0.11 -0.26 0.09 0.00 0.00 0.00 0.00 36.38 36.11 1kn0 s VAL 128 CO 0.06 -0.45 0.36 -0.55 0.00 0.00 0.00 175.10 174.51 1kn0 s SER 129 N -1.35 0.12 0.00 3.32 0.15 -0.86 -4.43 113.70 110.66 1kn0 s SER 129 Ca -0.14 0.63 0.00 0.00 0.70 0.00 0.00 55.95 57.14 1kn0 s SER 129 Cb -0.09 1.06 0.00 0.00 -1.71 0.00 0.00 66.02 65.28 1kn0 s SER 129 CO -0.01 -0.26 0.36 -0.62 1.20 0.00 0.00 173.24 173.92 1kn0 n GLU 130 N 5.37 -0.21 0.00 5.44 1.02 -1.26 -0.38 120.64 130.62 1kn0 n GLU 130 Ca -0.06 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.71 1kn0 n GLU 130 Cb 0.50 -0.85 0.00 0.00 -0.02 0.00 0.00 31.44 31.07 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 0.07 -0.27 0.00 0.62 0.00 -1.24 -4.64 105.19 99.73 1kn0 n GLY 131 Ca 0.00 0.00 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 -2.43 0.00 0.01 0.99 4.77 -1.26 -3.53 117.00 115.54 1kn0 n LEU 132 Ca 0.00 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 56.07 1kn0 n LEU 132 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 1kn0 n LEU 132 CO 0.00 0.00 -0.60 0.29 -1.33 0.00 0.00 177.39 175.75 1kn0 n LYS 133 N 0.00 0.65 -2.92 3.23 5.02 -1.26 -0.90 118.16 121.97 1kn0 n LYS 133 Ca 0.00 -0.09 -0.41 0.00 -2.02 0.00 0.00 58.31 55.79 1kn0 n LYS 133 Cb 0.00 -1.60 -0.04 0.00 -0.02 0.00 0.00 35.03 33.37 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 -4.84 6.97 -0.01 4.39 0.15 -1.26 -4.76 113.70 114.33 1kn0 s SER 134 Ca -0.06 1.19 -0.26 0.00 0.70 0.00 0.00 55.95 57.52 1kn0 s SER 134 Cb 0.12 -2.45 -0.20 0.00 -1.71 0.00 0.00 66.02 61.78 1kn0 s SER 134 CO 0.87 -0.33 1.30 0.50 1.20 0.00 0.00 173.24 176.78 1kn0 h LYS 135 N 7.20 -0.01 -0.34 5.44 3.64 -1.96 -2.03 116.57 128.51 1kn0 h LYS 135 Ca -0.32 0.00 0.07 0.00 -1.27 0.00 0.00 60.65 59.13 1kn0 h LYS 135 Cb 1.15 0.00 -0.08 0.00 -0.41 0.00 0.00 32.23 32.89 1kn0 h LYS 135 CO 0.81 0.44 -0.23 0.00 -2.27 0.00 0.00 179.45 178.20 1kn0 h ALA 136 N 0.54 -0.03 -0.01 5.00 0.00 -2.00 -0.67 119.26 122.08 1kn0 h ALA 136 Ca -0.00 0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 1kn0 h ALA 136 Cb 0.45 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1kn0 h ALA 136 CO 0.00 -0.63 -0.18 -0.07 0.00 0.00 0.00 179.25 178.37 1kn0 h LEU 137 N -0.19 0.02 -0.41 0.00 4.07 -1.97 -1.15 115.31 115.68 1kn0 h LEU 137 Ca 0.17 -0.00 -0.15 0.00 0.08 0.00 0.00 57.88 57.98 1kn0 h LEU 137 Cb 0.45 -0.00 -0.01 0.00 1.08 0.00 0.00 40.66 42.18 1kn0 h LEU 137 CO -0.45 0.21 -0.32 0.28 -1.08 0.00 0.00 178.44 177.07 1kn0 h SER 138 N 0.02 0.99 0.02 -0.43 0.02 -0.39 -2.65 113.55 111.13 1kn0 h SER 138 Ca 0.00 -0.44 -0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1kn0 h SER 138 Cb 0.34 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.60 1kn0 h SER 138 CO 0.02 1.23 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.86 1kn0 h LEU 139 N 0.77 -0.02 -0.89 5.07 3.38 -1.02 -2.48 115.31 120.12 1kn0 h LEU 139 Ca 0.08 -0.56 0.21 0.00 0.09 0.00 0.00 57.88 57.70 1kn0 h LEU 139 Cb 0.92 0.01 -0.12 0.00 0.09 0.00 0.00 40.66 41.55 1kn0 h LEU 139 CO 0.08 0.56 0.38 -0.08 0.09 0.00 0.00 178.44 179.48 1kn0 h GLU 140 N -0.62 0.39 0.42 1.13 4.81 -1.27 0.31 114.58 119.75 1kn0 h GLU 140 Ca -0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.18 1kn0 h GLU 140 Cb 0.58 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.88 1kn0 h GLU 140 CO 0.00 0.26 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.12 1kn0 h LYS 141 N 0.41 -0.55 -0.55 1.92 3.64 -1.47 -2.23 116.57 117.73 1kn0 h LYS 141 Ca 0.55 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 1kn0 h LYS 141 Cb 1.02 0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 32.94 1kn0 h LYS 141 CO -0.52 -0.26 0.36 0.00 -2.27 0.00 0.00 179.45 176.77 1kn0 h ALA 142 N -0.35 0.70 -0.18 5.00 0.00 -0.74 -0.20 119.26 123.50 1kn0 h ALA 142 Ca -0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1kn0 h ALA 142 Cb 0.54 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1kn0 h ALA 142 CO 0.10 0.15 0.07 0.00 0.00 0.00 0.00 179.25 179.56 1kn0 h ARG 143 N 0.75 0.27 -0.48 0.00 3.08 -0.50 -0.80 114.38 116.70 1kn0 h ARG 143 Ca 0.20 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1kn0 h ARG 143 Cb -0.08 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 29.91 1kn0 h ARG 143 CO -0.04 0.34 0.09 0.87 -1.07 0.00 0.00 179.97 180.16 1kn0 h LYS 144 N 0.13 0.79 -0.40 0.04 1.57 -1.23 -2.83 116.57 114.65 1kn0 h LYS 144 Ca 0.06 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1kn0 h LYS 144 Cb 0.18 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 1kn0 h LYS 144 CO -0.00 0.79 0.13 0.93 -0.57 0.00 0.00 179.45 180.72 1kn0 h GLU 145 N 0.67 0.63 -0.98 3.15 5.08 -0.96 -2.36 114.58 119.80 1kn0 h GLU 145 Ca 0.15 -0.13 0.14 0.00 -1.00 0.00 0.00 59.36 58.52 1kn0 h GLU 145 Cb 0.37 -0.09 -0.09 0.00 0.50 0.00 0.00 28.75 29.44 1kn0 h GLU 145 CO 0.01 0.62 0.60 0.00 -1.00 0.00 0.00 179.01 179.24 1kn0 h ALA 146 N 0.98 1.53 0.29 3.43 0.00 -1.03 0.45 119.26 124.90 1kn0 h ALA 146 Ca 0.13 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 1kn0 h ALA 146 Cb 0.26 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.90 1kn0 h ALA 146 CO -0.00 0.11 -0.14 0.28 0.00 0.00 0.00 179.25 179.49 1kn0 h VAL 147 N 0.88 0.66 -0.31 0.00 2.07 -1.29 -1.43 116.25 116.83 1kn0 h VAL 147 Ca 0.52 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.37 1kn0 h VAL 147 Cb 0.63 1.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.35 1kn0 h VAL 147 CO -0.31 0.13 0.02 0.74 0.02 0.00 0.00 177.57 178.17 1kn0 h THR 148 N -0.83 0.80 -0.75 2.57 2.02 -0.93 0.14 112.91 115.92 1kn0 h THR 148 Ca -0.04 -0.04 0.13 0.00 0.77 0.00 0.00 66.41 67.23 1kn0 h THR 148 Cb 0.52 0.67 -0.05 0.00 -1.74 0.00 0.00 68.15 67.54 1kn0 h THR 148 CO 0.07 0.02 0.50 -0.78 0.37 0.00 0.00 175.52 175.70 1kn0 h ASP 149 N 0.12 0.46 0.10 4.18 3.58 -0.14 -0.25 116.42 124.47 1kn0 h ASP 149 Ca 0.15 0.02 -0.00 0.00 0.42 0.00 0.00 57.03 57.62 1kn0 h ASP 149 Cb 0.19 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 41.17 1kn0 h ASP 149 CO -0.23 0.25 -0.05 1.23 -2.88 0.00 0.00 179.24 177.56 1kn0 h GLY 150 N 0.50 -0.14 0.51 -0.78 0.00 0.20 -2.01 103.07 101.37 1kn0 h GLY 150 Ca 0.36 0.05 0.11 0.00 0.00 0.00 0.00 47.33 47.85 1kn0 h GLY 150 CO -0.13 -0.05 0.60 -2.00 0.00 0.00 0.00 176.54 174.97 1kn0 h LEU 151 N -0.60 0.90 0.06 3.11 5.85 0.07 0.02 115.31 124.72 1kn0 h LEU 151 Ca -0.01 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1kn0 h LEU 151 Cb 0.49 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1kn0 h LEU 151 CO 0.02 0.50 -0.03 0.11 -0.34 0.00 0.00 178.44 178.70 1kn0 h LYS 152 N 0.98 -0.08 -0.49 1.25 1.57 -1.07 -1.88 116.57 116.85 1kn0 h LYS 152 Ca 0.47 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 59.29 1kn0 h LYS 152 Cb 0.42 0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1kn0 h LYS 152 CO -0.25 0.21 0.32 0.00 -0.57 0.00 0.00 179.45 179.16 1kn0 h ARG 153 N -0.36 0.53 -0.10 3.15 3.08 -0.78 -1.51 114.38 118.39 1kn0 h ARG 153 Ca -0.01 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 1kn0 h ARG 153 Cb 0.32 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.25 1kn0 h ARG 153 CO 0.01 0.35 -0.18 0.00 -1.07 0.00 0.00 179.97 179.09 1kn0 h ALA 154 N 1.72 0.16 -0.39 0.04 0.00 -0.84 -3.14 119.26 116.80 1kn0 h ALA 154 Ca 0.20 -0.35 0.02 0.00 0.00 0.00 0.00 54.91 54.78 1kn0 h ALA 154 Cb 0.11 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1kn0 h ALA 154 CO -0.05 0.08 0.26 -0.07 0.00 0.00 0.00 179.25 179.47 1kn0 h LEU 155 N -0.14 0.38 -1.66 0.00 3.38 -0.89 -1.55 115.31 114.82 1kn0 h LEU 155 Ca 0.01 -0.01 0.20 0.00 0.09 0.00 0.00 57.88 58.17 1kn0 h LEU 155 Cb 0.75 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1kn0 h LEU 155 CO 0.04 0.27 0.56 0.03 0.09 0.00 0.00 178.44 179.43 1kn0 h ARG 156 N 0.44 0.29 -0.01 1.13 3.08 -1.24 -0.89 114.38 117.18 1kn0 h ARG 156 Ca 0.15 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.19 1kn0 h ARG 156 Cb 0.07 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.06 1kn0 h ARG 156 CO -0.04 0.19 0.12 0.77 -1.07 0.00 0.00 179.97 179.94 1kn0 h SER 157 N 0.30 0.00 1.50 7.04 0.02 -1.38 -1.63 113.55 119.39 1kn0 h SER 157 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 1kn0 h SER 157 Cb 1.17 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.71 1kn0 h SER 157 CO -0.12 0.00 -0.03 -0.26 -1.14 0.00 0.00 176.83 175.28 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 -1.00 -1.34 -3.49 116.94 114.55 1kn0 h PHE 158 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1kn0 h PHE 158 Cb 0.25 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.81 1kn0 h PHE 158 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1kn0 n GLY 159 N 1.29 0.85 0.26 -1.45 0.00 -0.61 -4.93 105.19 100.59 1kn0 n GLY 159 Ca 0.05 -1.52 -0.09 0.00 0.00 0.00 0.00 46.02 44.47 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 0.85 0.00 1.61 2.35 -1.33 -2.23 115.58 116.83 1kn0 h ASN 160 Ca 0.00 -0.25 0.00 0.00 -0.55 0.00 0.00 56.30 55.50 1kn0 h ASN 160 Cb 0.00 -0.22 0.00 0.00 0.05 0.00 0.00 38.32 38.15 1kn0 h ASN 160 CO 0.00 0.88 0.12 0.00 -1.65 0.00 0.00 177.43 176.78 1kn0 n ALA 161 N -2.41 0.87 -0.70 -0.83 0.00 0.47 -0.19 120.51 117.72 1kn0 n ALA 161 Ca 0.02 0.17 0.07 0.00 0.00 0.00 0.00 53.44 53.70 1kn0 n ALA 161 Cb 0.26 -1.10 0.19 0.00 0.00 0.00 0.00 19.45 18.79 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 -2.18 3.18 0.00 0.00 4.77 -1.00 -4.92 117.00 116.85 1kn0 n LEU 162 Ca -0.01 -2.67 0.00 0.00 -0.03 0.00 0.00 56.01 53.29 1kn0 n LEU 162 Cb 0.15 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 1kn0 n LEU 162 CO 0.08 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 1kn0 n GLY 163 N -0.42 1.15 0.31 -0.72 0.00 0.74 -3.82 105.19 102.43 1kn0 n GLY 163 Ca 0.16 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.37 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 0.04 1.61 -1.24 -1.34 -2.13 115.58 112.52 1kn0 h ASN 164 Ca 0.00 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.80 1kn0 h ASN 164 Cb 0.00 0.00 0.01 0.00 0.73 0.00 0.00 38.32 39.06 1kn0 h ASN 164 CO 0.00 0.02 -0.80 0.00 -1.29 0.00 0.00 177.43 175.36 1kn0 n ILE 166 N -3.88 0.00 -0.02 0.00 0.13 -0.80 0.17 119.36 114.95 1kn0 n ILE 166 Ca -0.07 1.01 -0.15 0.00 -1.10 0.00 0.00 62.75 62.45 1kn0 n ILE 166 Cb 0.75 -1.99 -0.14 0.00 -0.84 0.00 0.00 39.64 37.42 1kn0 n ILE 166 CO 0.00 0.00 0.00 0.18 2.80 0.00 0.00 176.55 179.53 1kn0 n LEU 167 N -2.56 1.69 -4.66 9.51 4.77 -1.24 -4.91 117.00 119.60 1kn0 n LEU 167 Ca 0.03 0.26 -0.49 0.00 -0.03 0.00 0.00 56.01 55.78 1kn0 n LEU 167 Cb 1.05 -0.42 -0.05 0.00 -2.33 0.00 0.00 43.42 41.67 1kn0 n LEU 167 CO 0.03 0.63 1.52 -0.67 -1.33 0.00 0.00 177.39 177.57 1kn0 n ASP 168 N -3.22 3.27 -0.02 -1.43 -0.08 0.44 -4.89 116.55 110.62 1kn0 n ASP 168 Ca -0.26 0.90 -0.12 0.00 -1.51 0.00 0.00 54.79 53.80 1kn0 n ASP 168 Cb 1.05 -1.35 -0.07 0.00 2.34 0.00 0.00 41.12 43.09 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 9.58 0.15 -1.00 -0.67 1.57 -1.91 -2.11 116.57 122.18 1kn0 h LYS 169 Ca -0.46 -0.04 0.14 0.00 -1.87 0.00 0.00 60.65 58.41 1kn0 h LYS 169 Cb 1.28 -0.01 -0.09 0.00 0.08 0.00 0.00 32.23 33.48 1kn0 h LYS 169 CO 0.96 0.39 0.63 -0.44 -0.57 0.00 0.00 179.45 180.42 1kn0 h ASP 170 N -0.12 0.89 -0.11 0.86 3.32 -1.96 -0.31 116.42 118.98 1kn0 h ASP 170 Ca 0.02 0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 1kn0 h ASP 170 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.76 1kn0 h ASP 170 CO 0.00 0.44 0.07 0.22 -1.72 0.00 0.00 179.24 178.25 1kn0 h TYR 171 N 0.93 0.15 -0.29 4.55 3.20 -1.83 -2.82 116.97 120.87 1kn0 h TYR 171 Ca 0.52 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.43 1kn0 h TYR 171 Cb 0.60 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 1kn0 h TYR 171 CO -0.00 0.15 0.06 -0.07 -1.64 0.00 0.00 178.16 176.66 1kn0 h LEU 172 N 0.11 0.01 -0.68 2.82 3.38 -0.40 -2.41 115.31 118.14 1kn0 h LEU 172 Ca 0.04 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.13 1kn0 h LEU 172 Cb 0.05 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.80 1kn0 h LEU 172 CO -0.01 0.04 0.35 0.03 0.09 0.00 0.00 178.44 178.94 1kn0 h ARG 173 N 0.16 0.60 0.00 1.13 3.08 -1.26 0.29 114.38 118.39 1kn0 h ARG 173 Ca 0.13 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.15 1kn0 h ARG 173 Cb 0.14 -0.14 0.00 0.00 0.08 0.00 0.00 29.97 30.06 1kn0 h ARG 173 CO -0.18 0.40 0.00 0.77 -1.07 0.00 0.00 179.97 179.89 1kn0 h SER 174 N 0.62 0.00 0.49 7.04 0.02 -1.18 -2.15 113.55 118.38 1kn0 h SER 174 Ca 0.32 0.00 -0.30 0.00 -0.84 0.00 0.00 61.79 60.97 1kn0 h SER 174 Cb 0.28 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.83 1kn0 h SER 174 CO -0.23 0.00 -1.39 -0.07 -1.14 0.00 0.00 176.83 174.00 1kn0 h LEU 175 N 0.00 0.52 -0.42 5.07 3.38 -0.06 -3.31 115.31 120.49 1kn0 h LEU 175 Ca 0.00 -0.60 -0.16 0.00 0.09 0.00 0.00 57.88 57.22 1kn0 h LEU 175 Cb 0.10 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1kn0 h LEU 175 CO 0.00 1.48 -0.39 0.78 0.09 0.00 0.00 178.44 180.40 1kn0 h ASN 176 N 0.09 0.97 0.00 -0.43 2.35 -1.13 -2.79 115.58 114.65 1kn0 h ASN 176 Ca -0.20 -0.45 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1kn0 h ASN 176 Cb 2.03 -0.27 0.00 0.00 0.05 0.00 0.00 38.32 40.13 1kn0 h ASN 176 CO 0.21 1.24 0.00 0.29 -1.65 0.00 0.00 177.43 177.52 1kn0 n LYS 177 N -4.05 0.39 -4.37 0.81 5.02 -1.02 -4.70 118.16 110.23 1kn0 n LYS 177 Ca -0.02 0.00 -0.24 0.00 -2.02 0.00 0.00 58.31 56.03 1kn0 n LYS 177 Cb 0.54 -1.20 -0.11 0.00 -0.02 0.00 0.00 35.03 34.24 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 2.43 -0.48 -0.35 1.43 -1.05 -5.05 118.68 115.60 1kn0 s LEU 178 Ca 0.00 -0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 51.97 1kn0 s LEU 178 Cb 0.00 -0.97 -0.09 0.00 0.03 0.00 0.00 46.19 45.16 1kn0 s LEU 178 CO 0.00 0.03 2.39 -2.65 0.23 0.00 0.00 176.35 176.36 1kn0 n PRO 179 N 0.31 1.10 -1.58 1.29 -0.02 -1.26 -4.81 135.00 130.04 1kn0 n PRO 179 Ca -0.13 0.12 -0.14 0.00 -2.02 0.00 0.00 63.50 61.33 1kn0 n PRO 179 Cb 0.56 -3.13 -0.12 0.00 -0.02 0.00 0.00 33.50 30.80 1kn0 n PRO 179 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 1kn0 n ARG 180 N 8.85 0.12 -0.81 -0.52 0.00 -1.26 -4.88 116.66 118.16 1kn0 n ARG 180 Ca 0.39 -1.64 -0.32 0.00 -0.00 0.00 0.00 57.85 56.27 1kn0 n ARG 180 Cb 0.45 -3.93 0.14 0.00 0.00 0.00 0.00 32.46 29.12 1kn0 n ARG 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1kn0 n GLN 181 N 8.17 -0.27 -3.76 -0.14 10.64 -1.26 -5.01 117.38 125.75 1kn0 n GLN 181 Ca 0.41 -0.02 -0.33 0.00 -1.83 0.00 0.00 57.00 55.23 1kn0 n GLN 181 Cb 0.47 -2.17 -0.05 0.00 -0.86 0.00 0.00 30.24 27.63 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 -4.17 4.34 0.12 2.61 2.96 -1.26 -5.03 118.68 118.25 1kn0 s LEU 182 Ca 0.64 0.51 -0.20 0.00 -0.22 0.00 0.00 54.13 54.87 1kn0 s LEU 182 Cb -0.24 -2.92 -0.12 0.00 0.50 0.00 0.00 46.19 43.42 1kn0 s LEU 182 CO 0.60 0.18 0.39 -2.65 -1.32 0.00 0.00 176.35 173.55 1kn0 n PRO 183 N 0.65 0.00 -2.68 0.98 -0.02 -1.26 -4.88 135.00 127.79 1kn0 n PRO 183 Ca -0.07 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.00 1kn0 n PRO 183 Cb 0.52 -0.71 -0.05 0.00 -0.02 0.00 0.00 33.50 33.24 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 1.82 4.57 0.05 2.45 2.01 -1.26 -5.02 118.68 123.31 1kn0 s LEU 184 Ca 0.45 1.96 -0.30 0.00 0.01 0.00 0.00 54.13 56.25 1kn0 s LEU 184 Cb -0.65 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 41.90 1kn0 s LEU 184 CO 0.38 0.00 0.98 -0.70 1.01 0.00 0.00 176.35 178.02 1kn0 s GLU 185 N -0.75 4.62 -0.43 1.70 2.12 -1.26 -5.01 118.70 119.68 1kn0 s GLU 185 Ca 0.44 1.44 -0.18 0.00 0.36 0.00 0.00 54.97 57.03 1kn0 s GLU 185 Cb -0.26 -3.42 0.02 0.00 0.26 0.00 0.00 34.13 30.73 1kn0 s GLU 185 CO 0.33 0.06 0.50 0.08 -0.54 0.00 0.00 175.26 175.68 1kn0 s VAL 186 N 0.58 5.01 -0.62 3.70 1.01 -1.26 -5.02 120.40 123.80 1kn0 s VAL 186 Ca 0.50 -0.21 -0.28 0.00 0.00 0.00 0.00 61.98 61.99 1kn0 s VAL 186 Cb -0.22 -4.09 0.03 0.00 0.00 0.00 0.00 36.38 32.09 1kn0 s VAL 186 CO 0.29 -0.48 1.28 -0.62 0.00 0.00 0.00 175.10 175.57 1kn0 s ASP 187 N 1.87 6.28 -0.17 3.32 2.15 -1.26 -4.88 116.67 123.98 1kn0 s ASP 187 Ca 0.15 0.02 0.08 0.00 0.43 0.00 0.00 52.55 53.23 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 0.15 -1.64 1.32 0.18 -0.17 0.00 0.00 175.17 175.01 1kn0 n LEU 188 N 9.03 4.17 0.00 -1.34 4.77 -1.26 -4.46 117.00 127.91 1kn0 n LEU 188 Ca 0.08 -2.13 -0.13 0.00 -0.03 0.00 0.00 56.01 53.80 1kn0 n LEU 188 Cb 0.49 -0.63 -0.09 0.00 -2.33 0.00 0.00 43.42 40.86 1kn0 n LEU 188 CO 0.71 0.54 0.69 0.71 -1.33 0.00 0.00 177.39 178.71 1kn0 h THR 189 N 2.14 1.27 -0.38 -5.08 1.35 -2.04 -3.00 112.91 107.18 1kn0 h THR 189 Ca 0.07 -0.86 -0.08 0.00 -0.55 0.00 0.00 66.41 64.98 1kn0 h THR 189 Cb 1.55 1.86 -0.05 0.00 -1.73 0.00 0.00 68.15 69.77 1kn0 h THR 189 CO 0.37 0.22 0.10 0.29 -0.25 0.00 0.00 175.52 176.26 1kn0 n LYS 190 N -4.92 2.69 -2.09 4.72 5.02 -1.26 -4.95 118.16 117.37 1kn0 n LYS 190 Ca -0.08 -1.68 -0.36 0.00 -2.02 0.00 0.00 58.31 54.17 1kn0 n LYS 190 Cb 0.20 -1.83 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 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 -1.90 2.62 0.11 7.82 0.00 -1.14 -4.94 121.76 124.33 1kn0 s ALA 191 Ca 0.30 0.96 -0.31 0.00 0.00 0.00 0.00 51.96 52.91 1kn0 s ALA 191 Cb 0.23 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.84 1kn0 s ALA 191 CO 0.08 -1.03 1.53 0.21 0.00 0.00 0.00 175.76 176.55 1kn0 s LYS 192 N -3.27 4.24 0.00 0.00 2.20 -1.26 -4.89 119.74 116.76 1kn0 s LYS 192 Ca 0.75 2.24 0.04 0.00 -0.36 0.00 0.00 55.97 58.64 1kn0 s LYS 192 Cb -0.29 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.67 1kn0 s LYS 192 CO 0.32 -0.59 0.19 0.54 -0.36 0.00 0.00 175.35 175.45 1kn0 n ARG 193 N 4.52 5.27 -3.96 4.03 1.74 -1.26 -5.06 116.66 121.94 1kn0 n ARG 193 Ca 0.14 -0.06 -0.09 0.00 -0.77 0.00 0.00 57.85 57.06 1kn0 n ARG 193 Cb 0.40 -0.71 -0.07 0.00 -1.02 0.00 0.00 32.46 31.07 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 -1.25 1.09 0.02 5.56 1.03 -1.26 -5.11 119.66 119.74 1kn0 s GLN 194 Ca 0.02 -1.17 -0.19 0.00 0.04 0.00 0.00 55.36 54.06 1kn0 s GLN 194 Cb 0.03 0.36 -0.11 0.00 0.03 0.00 0.00 33.01 33.32 1kn0 s GLN 194 CO 0.14 -0.38 1.18 -0.44 -2.54 0.00 0.00 175.29 173.24 1kn0 h ASP 195 N 2.60 -0.58 -2.04 12.60 3.32 -2.05 -3.46 116.42 126.82 1kn0 h ASP 195 Ca -0.32 0.02 -0.60 0.00 0.02 0.00 0.00 57.03 56.15 1kn0 h ASP 195 Cb 1.22 0.15 0.18 0.00 0.22 0.00 0.00 39.33 41.10 1kn0 h ASP 195 CO 0.50 -0.38 -1.10 -0.11 -1.72 0.00 0.00 179.24 176.43 1kn0 n LEU 196 N -4.01 -3.35 -3.40 1.55 7.94 -1.26 -4.99 117.00 109.47 1kn0 n LEU 196 Ca -0.09 0.67 -0.27 0.00 -1.11 0.00 0.00 56.01 55.22 1kn0 n LEU 196 Cb 0.27 -0.87 -0.10 0.00 0.53 0.00 0.00 43.42 43.25 1kn0 n LEU 196 CO 0.21 -4.65 -0.30 -1.61 -1.11 0.00 0.00 177.39 169.93 1kn0 s GLU 197 N -1.06 0.75 0.21 1.96 0.41 -1.26 -5.03 118.70 114.68 1kn0 s GLU 197 Ca 0.58 -1.72 -0.10 0.00 -0.41 0.00 0.00 54.97 53.32 1kn0 s GLU 197 Cb -0.50 -1.29 0.30 0.00 -1.78 0.00 0.00 34.13 30.86 1kn0 s GLU 197 CO 0.65 -1.31 1.68 -1.35 -0.49 0.00 0.00 175.26 174.44 1kn0 h PRO 198 N 6.21 0.18 -0.17 0.39 0.11 -1.98 0.23 132.00 136.98 1kn0 h PRO 198 Ca 0.17 -0.01 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1kn0 h PRO 198 Cb 0.95 -0.04 -0.06 0.00 0.11 0.00 0.00 31.00 31.95 1kn0 h PRO 198 CO 0.31 0.12 -0.28 1.03 -0.21 0.00 0.00 178.00 178.97 1kn0 h SER 199 N 0.19 -0.87 0.65 -2.05 0.87 -2.00 -0.56 113.55 109.77 1kn0 h SER 199 Ca 0.32 0.14 -0.03 0.00 -1.23 0.00 0.00 61.79 60.99 1kn0 h SER 199 Cb 0.51 0.38 0.01 0.00 -0.44 0.00 0.00 62.40 62.86 1kn0 h SER 199 CO -0.47 -0.32 -0.31 0.58 -0.53 0.00 0.00 176.83 175.78 1kn0 h VAL 200 N -0.33 0.24 -1.13 2.23 2.07 -1.80 -2.67 116.25 114.85 1kn0 h VAL 200 Ca 0.11 -0.26 0.35 0.00 0.82 0.00 0.00 66.70 67.71 1kn0 h VAL 200 Cb 0.50 0.30 -0.12 0.00 -1.52 0.00 0.00 31.29 30.45 1kn0 h VAL 200 CO -0.35 0.03 0.71 -0.08 0.02 0.00 0.00 177.57 177.89 1kn0 h GLU 201 N -1.07 0.25 0.45 1.57 4.57 -0.43 -0.04 114.58 119.88 1kn0 h GLU 201 Ca -0.09 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.05 1kn0 h GLU 201 Cb 0.71 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.24 1kn0 h GLU 201 CO 0.15 0.16 -0.22 1.49 -1.18 0.00 0.00 179.01 179.41 1kn0 h GLU 202 N 0.26 -0.58 -0.96 1.92 4.81 -0.99 -1.93 114.58 117.10 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 1.96 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 31.38 1kn0 h GLU 202 CO -0.44 -0.28 0.61 0.00 -0.73 0.00 0.00 179.01 178.16 1kn0 h ALA 203 N -0.74 1.76 0.08 2.92 0.00 -0.82 -1.74 119.26 120.72 1kn0 h ALA 203 Ca -0.06 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1kn0 h ALA 203 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1kn0 h ALA 203 CO 0.10 -0.05 -0.04 -0.09 0.00 0.00 0.00 179.25 179.17 1kn0 h ARG 204 N 0.75 -0.10 -0.98 0.00 2.43 -1.05 -2.64 114.38 112.78 1kn0 h ARG 204 Ca 0.51 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.80 1kn0 h ARG 204 Cb 0.79 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 30.29 1kn0 h ARG 204 CO -0.28 0.16 0.62 -0.92 -1.51 0.00 0.00 179.97 178.05 1kn0 h TYR 205 N -0.37 1.09 0.00 2.20 3.20 -0.51 0.39 116.97 122.98 1kn0 h TYR 205 Ca -0.01 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1kn0 h TYR 205 Cb 0.31 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.24 1kn0 h TYR 205 CO 0.01 0.45 0.00 0.09 -1.64 0.00 0.00 178.16 177.07 1kn0 n ASN 206 N -4.59 0.00 -0.44 -2.11 3.02 -0.85 -2.56 115.26 107.73 1kn0 n ASN 206 Ca 0.18 -0.24 0.13 0.00 -0.03 0.00 0.00 54.58 54.62 1kn0 n ASN 206 Cb 0.35 -0.22 0.42 0.00 -0.61 0.00 0.00 39.78 39.73 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 -1.22 1.48 -0.61 6.41 2.88 0.14 -5.09 113.62 117.61 1kn0 n SER 207 Ca 0.14 -1.34 0.08 0.00 -1.33 0.00 0.00 58.87 56.41 1kn0 n SER 207 Cb 0.17 0.06 0.06 0.00 -0.75 0.00 0.00 64.21 63.76 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81