#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 3.46 0.00 0.00 5.36 -1.26 -1.03 117.98 124.51 1kn0 s PHE 26 Ca 0.00 1.50 0.00 0.00 -0.96 0.00 0.00 56.93 57.47 1kn0 s PHE 26 Cb 0.00 -3.25 0.00 0.00 -0.34 0.00 0.00 43.02 39.43 1kn0 s PHE 26 CO 0.00 -0.52 0.00 0.41 -1.46 0.00 0.00 175.22 173.65 1kn0 n GLY 27 N 3.13 3.39 0.04 13.12 0.00 0.33 -4.82 105.19 120.37 1kn0 n GLY 27 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.08 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 0.22 -0.85 1.61 1.13 -1.11 -4.17 117.38 112.21 1kn0 n GLN 28 Ca 0.00 0.22 -0.29 0.00 -1.94 0.00 0.00 57.00 54.99 1kn0 n GLN 28 Cb 0.00 -1.02 -0.02 0.00 0.11 0.00 0.00 30.24 29.31 1kn0 n GLN 28 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1kn0 s GLN 30 N -0.61 2.13 0.30 0.00 -0.21 -1.26 -3.48 119.66 116.53 1kn0 s GLN 30 Ca 0.39 -0.94 -0.29 0.00 0.02 0.00 0.00 55.36 54.54 1kn0 s GLN 30 Cb -0.56 -2.19 -0.10 0.00 1.00 0.00 0.00 33.01 31.16 1kn0 s GLN 30 CO 0.34 0.55 1.29 0.71 -2.12 0.00 0.00 175.29 176.06 1kn0 s TYR 31 N -0.86 3.15 0.44 0.91 1.51 -1.26 -5.01 117.35 116.24 1kn0 s TYR 31 Ca 0.13 1.40 -0.14 0.00 -1.01 0.00 0.00 57.07 57.46 1kn0 s TYR 31 Cb -0.10 -3.62 -0.07 0.00 -0.11 0.00 0.00 41.96 38.05 1kn0 s TYR 31 CO 0.04 -1.72 0.86 0.95 -1.11 0.00 0.00 175.55 174.57 1kn0 s THR 32 N -0.89 4.65 0.29 -0.71 -4.23 -1.26 -4.82 115.64 108.68 1kn0 s THR 32 Ca 0.50 0.93 0.05 0.00 -1.18 0.00 0.00 61.69 61.99 1kn0 s THR 32 Cb -0.38 -3.71 0.29 0.00 1.34 0.00 0.00 72.50 70.03 1kn0 s THR 32 CO 0.48 -0.55 1.73 0.00 -0.54 0.00 0.00 174.62 175.75 1kn0 h ALA 33 N 1.25 1.52 0.43 3.99 0.00 -1.99 0.15 119.26 124.61 1kn0 h ALA 33 Ca -0.47 0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 1kn0 h ALA 33 Cb 1.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.03 1kn0 h ALA 33 CO 0.63 -0.23 -0.20 0.93 0.00 0.00 0.00 179.25 180.37 1kn0 h GLU 34 N 0.54 -0.55 -0.60 0.00 3.07 -2.00 -1.72 114.58 113.32 1kn0 h GLU 34 Ca 0.56 0.04 -0.05 0.00 -0.50 0.00 0.00 59.36 59.41 1kn0 h GLU 34 Cb 1.00 0.13 -0.03 0.00 -0.84 0.00 0.00 28.75 29.01 1kn0 h GLU 34 CO -0.46 -0.37 0.19 1.49 -1.40 0.00 0.00 179.01 178.46 1kn0 h GLU 35 N -0.58 0.93 0.17 2.33 4.81 -1.76 -2.09 114.58 118.39 1kn0 h GLU 35 Ca -0.06 -0.20 0.01 0.00 -0.13 0.00 0.00 59.36 58.98 1kn0 h GLU 35 Cb 0.44 -0.13 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1kn0 h GLU 35 CO 0.10 0.83 -0.21 -0.92 -0.73 0.00 0.00 179.01 178.08 1kn0 h TYR 36 N 0.85 -0.56 -0.21 0.92 3.20 -0.63 -1.76 116.97 118.79 1kn0 h TYR 36 Ca 0.19 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.11 1kn0 h TYR 36 Cb 0.29 0.22 -0.04 0.00 1.54 0.00 0.00 36.73 38.75 1kn0 h TYR 36 CO 0.02 -0.31 -0.02 0.37 -1.64 0.00 0.00 178.16 176.58 1kn0 h GLN 37 N -0.43 0.04 0.28 1.82 4.15 -1.25 0.18 115.11 119.90 1kn0 h GLN 37 Ca 0.01 -0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.43 1kn0 h GLN 37 Cb 0.42 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.07 1kn0 h GLN 37 CO -0.08 0.03 -0.38 0.00 -1.93 0.00 0.00 178.83 176.47 1kn0 h ALA 38 N 1.19 -0.76 -0.67 3.38 0.00 -1.23 -1.30 119.26 119.88 1kn0 h ALA 38 Ca 0.10 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.91 1kn0 h ALA 38 Cb 0.14 0.57 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 1kn0 h ALA 38 CO -0.19 -0.97 0.44 0.82 0.00 0.00 0.00 179.25 179.35 1kn0 h ILE 39 N -0.71 1.17 -0.85 0.00 2.04 -1.24 -0.55 117.51 117.37 1kn0 h ILE 39 Ca -0.01 -0.32 0.11 0.00 1.00 0.00 0.00 64.86 65.64 1kn0 h ILE 39 Cb 0.67 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.87 1kn0 h ILE 39 CO -0.12 0.17 0.49 -0.61 0.00 0.00 0.00 178.15 178.07 1kn0 h GLN 40 N 0.91 0.77 0.16 2.37 5.75 -0.29 -0.72 115.11 124.06 1kn0 h GLN 40 Ca 0.25 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 1kn0 h GLN 40 Cb -0.10 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.28 1kn0 h GLN 40 CO -0.05 0.51 -0.08 0.87 -2.65 0.00 0.00 178.83 177.43 1kn0 h LYS 41 N 0.79 -0.21 -0.65 1.69 1.57 -0.80 -3.32 116.57 115.64 1kn0 h LYS 41 Ca 0.42 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.35 1kn0 h LYS 41 Cb 0.43 0.05 -0.11 0.00 0.08 0.00 0.00 32.23 32.68 1kn0 h LYS 41 CO -0.27 0.22 -0.01 0.00 -0.57 0.00 0.00 179.45 178.82 1kn0 h ALA 42 N -0.24 0.63 0.00 3.86 0.00 -0.85 0.34 119.26 123.00 1kn0 h ALA 42 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1kn0 h ALA 42 Cb 0.53 0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1kn0 h ALA 42 CO 0.04 -0.40 0.14 -0.07 0.00 0.00 0.00 179.25 178.96 1kn0 h LEU 43 N 0.11 0.00 -0.25 0.00 3.38 -1.23 -0.43 115.31 116.88 1kn0 h LEU 43 Ca 0.34 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.19 1kn0 h LEU 43 Cb 0.56 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 1kn0 h LEU 43 CO -0.56 0.00 -0.55 0.03 0.09 0.00 0.00 178.44 177.44 1kn0 h ARG 44 N 0.00 0.00 -6.50 1.13 3.08 -1.04 -0.71 114.38 110.35 1kn0 h ARG 44 Ca 0.00 0.00 -0.56 0.00 0.07 0.00 0.00 59.98 59.49 1kn0 h ARG 44 Cb 0.29 0.00 0.20 0.00 0.08 0.00 0.00 29.97 30.54 1kn0 h ARG 44 CO 0.00 0.55 -0.73 1.04 -1.07 0.00 0.00 179.97 179.76 1kn0 n GLN 45 N -3.33 0.13 -4.09 0.04 6.02 -0.17 -4.60 117.38 111.38 1kn0 n GLN 45 Ca 0.01 0.08 -0.29 0.00 -0.01 0.00 0.00 57.00 56.79 1kn0 n GLN 45 Cb 0.71 -1.61 -0.06 0.00 1.02 0.00 0.00 30.24 30.29 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 -2.56 2.79 0.30 -1.09 0.52 -1.26 -1.45 118.95 116.19 1kn0 s ARG 46 Ca 0.59 -0.82 -0.27 0.00 -0.52 0.00 0.00 55.73 54.71 1kn0 s ARG 46 Cb -0.32 -2.63 -0.10 0.00 0.52 0.00 0.00 34.95 32.42 1kn0 s ARG 46 CO 0.64 0.52 0.96 -0.51 0.02 0.00 0.00 175.30 176.93 1kn0 s LEU 47 N -2.68 4.43 0.96 2.53 2.01 -1.26 -4.93 118.68 119.75 1kn0 s LEU 47 Ca 0.29 1.91 -0.15 0.00 0.01 0.00 0.00 54.13 56.18 1kn0 s LEU 47 Cb -0.11 -3.88 0.18 0.00 0.01 0.00 0.00 46.19 42.39 1kn0 s LEU 47 CO 0.22 -0.03 1.25 -0.83 1.01 0.00 0.00 176.35 177.97 1kn0 s GLY 48 N -1.44 1.70 0.09 -3.19 0.00 -1.26 -4.92 107.32 98.29 1kn0 s GLY 48 Ca 0.48 -1.00 0.15 0.00 0.00 0.00 0.00 44.72 44.34 1kn0 s GLY 48 CO 0.27 -0.28 1.46 -1.05 0.00 0.00 0.00 173.10 173.50 1kn0 n PRO 49 N -3.83 0.06 0.00 2.90 -0.02 -1.26 -2.35 135.00 130.50 1kn0 n PRO 49 Ca 0.13 0.36 0.09 0.00 -2.02 0.00 0.00 63.50 62.06 1kn0 n PRO 49 Cb 0.60 -1.62 0.44 0.00 -0.02 0.00 0.00 33.50 32.89 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 -1.73 0.14 -0.07 -0.52 4.71 -1.26 -3.17 120.64 118.74 1kn0 n GLU 50 Ca 0.02 0.14 -0.08 0.00 -0.01 0.00 0.00 57.16 57.24 1kn0 n GLU 50 Cb 0.15 -1.50 -0.11 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 -1.39 0.00 -2.52 -0.32 4.02 -0.99 -5.03 117.16 110.92 1kn0 n TYR 51 Ca 0.07 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.61 1kn0 n TYR 51 Cb 0.18 -0.69 -0.03 0.00 -0.02 0.00 0.00 39.34 38.78 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 -2.34 3.72 0.32 -0.72 -1.09 -1.19 -4.27 121.20 115.64 1kn0 s ILE 52 Ca -0.09 1.16 0.06 0.00 -2.23 0.00 0.00 60.65 59.56 1kn0 s ILE 52 Cb 0.04 -3.52 -0.03 0.00 -1.58 0.00 0.00 42.46 37.37 1kn0 s ILE 52 CO 0.55 -0.14 0.28 -0.44 -1.23 0.00 0.00 174.94 173.96 1kn0 s SER 53 N -1.80 1.54 0.02 3.58 0.01 0.28 -4.96 113.70 112.37 1kn0 s SER 53 Ca 0.64 -1.72 -0.21 0.00 1.31 0.00 0.00 55.95 55.97 1kn0 s SER 53 Cb -0.19 0.55 0.04 0.00 0.21 0.00 0.00 66.02 66.64 1kn0 s SER 53 CO 0.23 -1.07 0.48 -0.94 0.41 0.00 0.00 173.24 172.35 1kn0 s SER 54 N -3.35 -0.38 0.20 2.44 1.04 -1.26 -1.66 113.70 110.73 1kn0 s SER 54 Ca 0.40 0.18 0.03 0.00 0.48 0.00 0.00 55.95 57.04 1kn0 s SER 54 Cb 0.02 0.45 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1kn0 s SER 54 CO 0.26 -0.65 -0.00 -0.13 0.98 0.00 0.00 173.24 173.70 1kn0 s ARG 55 N -2.12 1.23 -0.50 4.02 0.52 -0.33 -4.95 118.95 116.81 1kn0 s ARG 55 Ca -0.07 -1.61 -0.15 0.00 -0.52 0.00 0.00 55.73 53.38 1kn0 s ARG 55 Cb -0.01 -0.46 0.11 0.00 0.52 0.00 0.00 34.95 35.11 1kn0 s ARG 55 CO 0.01 -0.11 0.43 1.41 0.02 0.00 0.00 175.30 177.06 1kn0 s MET 56 N -3.89 2.90 0.14 3.54 1.75 -1.26 -1.46 119.30 121.02 1kn0 s MET 56 Ca 0.26 -1.59 -0.34 0.00 -1.25 0.00 0.00 55.69 52.78 1kn0 s MET 56 Cb 0.06 -4.16 -0.16 0.00 2.84 0.00 0.00 34.83 33.41 1kn0 s MET 56 CO 0.06 -1.19 1.29 0.00 -0.65 0.00 0.00 175.02 174.54 1kn0 n ALA 57 N 5.17 -0.48 -1.54 4.11 0.00 -0.30 -4.70 120.51 122.77 1kn0 n ALA 57 Ca -0.13 0.48 -0.26 0.00 0.00 0.00 0.00 53.44 53.53 1kn0 n ALA 57 Cb 0.41 -2.10 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 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 2.36 -0.12 1.78 0.00 0.00 -1.26 -1.18 105.19 106.76 1kn0 n GLY 58 Ca 0.16 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.69 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 6.31 2.38 0.00 -0.02 0.00 -1.26 -4.99 105.19 107.60 1kn0 n GLY 59 Ca 0.49 -0.32 0.00 0.00 0.00 0.00 0.00 46.02 46.19 1kn0 n GLY 59 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kn0 n GLY 60 N 0.00 -2.03 0.00 -0.02 0.00 -0.33 -5.08 105.19 97.73 1kn0 n GLY 60 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.79 3.23 -3.01 1.61 3.00 -1.26 -4.35 117.38 115.81 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 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 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 1.93 4.24 -0.20 -1.09 2.20 -1.26 -1.15 119.74 124.41 1kn0 s LYS 62 Ca 0.00 0.80 -0.07 0.00 -0.36 0.00 0.00 55.97 56.34 1kn0 s LYS 62 Cb 0.00 -3.58 -0.03 0.00 -1.51 0.00 0.00 37.83 32.71 1kn0 s LYS 62 CO 0.00 -0.29 0.04 0.08 -0.36 0.00 0.00 175.35 174.82 1kn0 s VAL 63 N 2.06 4.39 0.08 4.02 1.01 -0.54 -4.94 120.40 126.48 1kn0 s VAL 63 Ca 0.33 -0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.01 1kn0 s VAL 63 Cb -0.16 -3.00 -0.06 0.00 0.00 0.00 0.00 36.38 33.16 1kn0 s VAL 63 CO 0.11 0.42 0.46 0.00 0.00 0.00 0.00 175.10 176.08 1kn0 s TYR 65 N -1.32 -0.35 -0.18 0.00 -0.85 -0.66 -4.94 117.35 109.04 1kn0 s TYR 65 Ca 0.32 0.02 -0.04 0.00 -0.52 0.00 0.00 57.07 56.85 1kn0 s TYR 65 Cb -0.15 0.63 -0.03 0.00 0.38 0.00 0.00 41.96 42.79 1kn0 s TYR 65 CO 0.17 -1.01 -0.02 0.42 -1.52 0.00 0.00 175.55 173.59 1kn0 s ILE 66 N -3.78 3.92 0.58 -3.49 1.01 -1.26 -0.56 121.20 117.62 1kn0 s ILE 66 Ca 0.06 -0.33 -0.20 0.00 0.00 0.00 0.00 60.65 60.17 1kn0 s ILE 66 Cb -0.03 -2.75 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1kn0 s ILE 66 CO -0.03 0.46 1.33 -1.61 0.00 0.00 0.00 174.94 175.09 1kn0 s GLU 67 N 0.72 2.96 0.11 2.79 2.02 -1.26 -4.84 118.70 121.19 1kn0 s GLU 67 Ca -0.01 2.16 -0.34 0.00 0.02 0.00 0.00 54.97 56.80 1kn0 s GLU 67 Cb -0.14 -2.12 -0.14 0.00 0.10 0.00 0.00 34.13 31.83 1kn0 s GLU 67 CO 0.02 -1.31 1.55 0.78 0.02 0.00 0.00 175.26 176.32 1kn0 h GLY 68 N 1.15 -1.14 0.94 -1.39 0.00 -1.98 -1.78 103.07 98.87 1kn0 h GLY 68 Ca -0.51 0.66 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1kn0 h GLY 68 CO 0.56 -0.25 0.46 1.12 0.00 0.00 0.00 176.54 178.43 1kn0 h HIS 69 N -0.69 0.00 0.36 5.60 2.07 -1.99 -0.38 115.15 120.11 1kn0 h HIS 69 Ca 0.01 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.51 1kn0 h HIS 69 Cb 0.73 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.71 1kn0 h HIS 69 CO -0.50 0.00 -0.17 0.00 -3.07 0.00 0.00 177.93 174.19 1kn0 h ARG 70 N 0.00 -0.46 -0.48 5.12 2.47 -1.68 -2.30 114.38 117.04 1kn0 h ARG 70 Ca 0.12 0.03 0.08 0.00 -1.26 0.00 0.00 59.98 58.95 1kn0 h ARG 70 Cb 1.04 0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 29.43 1kn0 h ARG 70 CO -0.00 -0.14 0.32 0.28 0.56 0.00 0.00 179.97 180.99 1kn0 h VAL 71 N -0.91 0.92 0.70 2.04 2.07 -0.95 0.50 116.25 120.62 1kn0 h VAL 71 Ca -0.05 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.33 1kn0 h VAL 71 Cb 0.53 0.57 0.01 0.00 -1.52 0.00 0.00 31.29 30.88 1kn0 h VAL 71 CO 0.08 0.06 -0.34 0.40 0.02 0.00 0.00 177.57 177.79 1kn0 h ILE 72 N 0.32 0.15 -0.74 4.57 2.04 -1.26 -2.31 117.51 120.28 1kn0 h ILE 72 Ca 0.21 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.86 1kn0 h ILE 72 Cb 0.43 0.19 -0.04 0.00 -0.74 0.00 0.00 36.82 36.66 1kn0 h ILE 72 CO -0.05 0.02 0.49 0.78 0.00 0.00 0.00 178.15 179.38 1kn0 h ASN 73 N -1.16 0.75 -0.73 1.72 2.35 -0.87 -0.47 115.58 117.17 1kn0 h ASN 73 Ca -0.10 -0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.70 1kn0 h ASN 73 Cb 0.75 -0.17 -0.06 0.00 0.05 0.00 0.00 38.32 38.89 1kn0 h ASN 73 CO 0.16 0.51 0.43 -0.07 -1.65 0.00 0.00 177.43 176.81 1kn0 h LEU 74 N 0.87 0.67 -0.25 1.61 3.38 -0.85 -1.78 115.31 118.97 1kn0 h LEU 74 Ca 0.30 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 58.13 1kn0 h LEU 74 Cb 0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.73 1kn0 h LEU 74 CO -0.09 0.44 -0.47 0.00 0.09 0.00 0.00 178.44 178.41 1kn0 h ALA 75 N 1.36 0.39 0.00 1.53 0.00 -0.72 -1.33 119.26 120.49 1kn0 h ALA 75 Ca 0.32 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1kn0 h ALA 75 Cb 0.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1kn0 h ALA 75 CO -0.17 0.54 0.00 -0.91 0.00 0.00 0.00 179.25 178.71 1kn0 h ASN 76 N 0.48 0.00 0.02 0.00 2.35 -0.66 -1.11 115.58 116.66 1kn0 h ASN 76 Ca 0.01 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.49 1kn0 h ASN 76 Cb 1.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 39.40 1kn0 h ASN 76 CO 0.10 0.00 -1.48 -0.62 -1.65 0.00 0.00 177.43 173.79 1kn0 n GLU 77 N -3.00 0.59 0.21 0.81 -0.58 -0.71 -1.86 120.64 116.10 1kn0 n GLU 77 Ca -0.02 0.51 0.07 0.00 -0.42 0.00 0.00 57.16 57.30 1kn0 n GLU 77 Cb 0.12 -1.72 0.59 0.00 -0.57 0.00 0.00 31.44 29.86 1kn0 n GLU 77 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 1kn0 h MET 78 N -0.86 0.11 0.00 3.49 2.86 -0.97 -3.31 114.93 116.25 1kn0 h MET 78 Ca -0.39 -0.01 0.00 0.00 -2.06 0.00 0.00 59.70 57.24 1kn0 h MET 78 Cb 1.43 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 33.07 1kn0 h MET 78 CO -0.19 0.08 0.00 1.19 1.06 0.00 0.00 176.91 179.05 1kn0 n PHE 79 N -4.52 0.00 0.00 -0.22 3.01 -0.44 -4.91 117.46 110.38 1kn0 n PHE 79 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1kn0 n PHE 79 Cb 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1kn0 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 80 N 0.59 -1.36 0.58 1.37 0.00 -0.78 -2.93 105.19 102.66 1kn0 n GLY 80 Ca 0.00 -1.34 0.40 0.00 0.00 0.00 0.00 46.02 45.08 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 0.03 -0.31 1.61 -0.00 -1.87 0.46 116.97 116.89 1kn0 h TYR 81 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1kn0 h TYR 81 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 36.73 36.72 1kn0 h TYR 81 CO 0.00 -0.00 0.00 0.27 -0.00 0.00 0.00 178.16 178.43 1kn0 n ASN 82 N -4.13 3.94 -0.33 0.10 6.94 -1.26 -4.52 115.26 115.99 1kn0 n ASN 82 Ca 0.31 -2.86 0.10 0.00 -0.02 0.00 0.00 54.58 52.11 1kn0 n ASN 82 Cb 1.47 -0.52 -0.03 0.00 -2.36 0.00 0.00 39.78 38.34 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 -0.23 -0.19 3.11 4.83 0.00 0.16 -4.76 105.19 108.10 1kn0 n GLY 83 Ca 0.21 -0.56 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.38 0.36 0.12 1.61 1.48 -1.25 -0.56 118.94 118.31 1kn0 s TRP 84 Ca 0.14 -0.81 -0.20 0.00 -1.06 0.00 0.00 56.10 54.17 1kn0 s TRP 84 Cb 0.16 -0.26 0.05 0.00 -1.16 0.00 0.00 33.47 32.26 1kn0 s TRP 84 CO 0.57 -0.39 0.49 0.00 -4.06 0.00 0.00 176.95 173.56 1kn0 s ALA 85 N -3.41 -1.23 0.05 2.67 0.00 0.10 -4.95 121.76 115.00 1kn0 s ALA 85 Ca 0.02 0.27 -0.05 0.00 0.00 0.00 0.00 51.96 52.20 1kn0 s ALA 85 Cb 0.04 0.68 -0.02 0.00 0.00 0.00 0.00 23.12 23.82 1kn0 s ALA 85 CO -0.08 -0.65 0.09 -3.38 0.00 0.00 0.00 175.76 171.74 1kn0 s HIS 86 N -3.45 0.27 0.06 0.00 -3.43 -1.26 0.10 115.29 107.58 1kn0 s HIS 86 Ca 0.00 -0.66 -0.08 0.00 -0.80 0.00 0.00 55.06 53.52 1kn0 s HIS 86 Cb 0.00 -0.18 -0.01 0.00 -1.43 0.00 0.00 32.58 30.97 1kn0 s HIS 86 CO -0.10 -0.42 0.15 -1.54 -2.00 0.00 0.00 174.74 170.84 1kn0 s SER 87 N -2.51 0.14 -0.46 7.38 1.04 -0.38 -4.97 113.70 113.94 1kn0 s SER 87 Ca 0.01 -0.59 -0.19 0.00 0.48 0.00 0.00 55.95 55.66 1kn0 s SER 87 Cb 0.03 0.29 0.04 0.00 0.10 0.00 0.00 66.02 66.47 1kn0 s SER 87 CO -0.08 -0.63 0.57 -0.63 0.98 0.00 0.00 173.24 173.45 1kn0 s ILE 88 N -3.31 4.93 0.11 -1.02 1.01 -1.26 -1.41 121.20 120.25 1kn0 s ILE 88 Ca 0.01 -0.25 -0.15 0.00 0.00 0.00 0.00 60.65 60.26 1kn0 s ILE 88 Cb 0.03 -4.19 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1kn0 s ILE 88 CO -0.08 -0.61 1.54 0.74 0.00 0.00 0.00 174.94 176.52 1kn0 h THR 89 N 5.83 1.27 -1.42 2.92 2.02 -0.94 -3.47 112.91 119.11 1kn0 h THR 89 Ca -0.26 -1.08 0.11 0.00 0.77 0.00 0.00 66.41 65.95 1kn0 h THR 89 Cb 1.10 1.23 -0.27 0.00 -1.74 0.00 0.00 68.15 68.48 1kn0 h THR 89 CO 0.89 0.36 0.62 -1.58 0.37 0.00 0.00 175.52 176.17 1kn0 s GLN 90 N -4.88 0.39 -0.12 6.66 0.74 -1.16 -4.99 119.66 116.31 1kn0 s GLN 90 Ca -0.13 0.30 0.00 0.00 0.05 0.00 0.00 55.36 55.58 1kn0 s GLN 90 Cb 0.09 0.19 0.02 0.00 1.10 0.00 0.00 33.01 34.41 1kn0 s GLN 90 CO 0.79 -0.08 -0.11 -1.14 -0.55 0.00 0.00 175.29 174.20 1kn0 s GLN 91 N -0.34 1.84 -0.12 1.67 0.74 -1.26 0.42 119.66 122.62 1kn0 s GLN 91 Ca 0.03 -0.39 0.03 0.00 0.05 0.00 0.00 55.36 55.08 1kn0 s GLN 91 Cb -0.03 -1.74 0.00 0.00 1.10 0.00 0.00 33.01 32.34 1kn0 s GLN 91 CO -0.06 -0.19 -0.22 1.21 -0.55 0.00 0.00 175.29 175.47 1kn0 s ASN 92 N 1.42 3.19 -0.41 6.67 2.47 -0.38 -5.00 114.94 122.91 1kn0 s ASN 92 Ca 0.01 -0.55 -0.27 0.00 0.42 0.00 0.00 52.86 52.47 1kn0 s ASN 92 Cb -0.13 -1.44 0.02 0.00 -1.45 0.00 0.00 41.25 38.25 1kn0 s ASN 92 CO -0.06 0.13 1.01 -0.69 -3.72 0.00 0.00 177.10 173.77 1kn0 s VAL 93 N 0.50 4.44 0.11 -5.21 1.01 -1.26 -1.50 120.40 118.49 1kn0 s VAL 93 Ca -0.14 1.22 -0.15 0.00 0.00 0.00 0.00 61.98 62.91 1kn0 s VAL 93 Cb -0.17 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.70 1kn0 s VAL 93 CO 0.05 -0.72 1.46 0.44 0.00 0.00 0.00 175.10 176.33 1kn0 h ASP 94 N 8.73 0.74 -4.75 3.32 3.32 -1.07 -3.48 116.42 123.24 1kn0 h ASP 94 Ca -0.23 -0.43 0.12 0.00 0.02 0.00 0.00 57.03 56.51 1kn0 h ASP 94 Cb 1.07 -0.21 -0.14 0.00 0.22 0.00 0.00 39.33 40.27 1kn0 h ASP 94 CO 1.04 1.01 0.49 0.72 -1.72 0.00 0.00 179.24 180.79 1kn0 s PHE 95 N -4.51 -0.31 -0.37 4.55 -0.12 -1.09 -4.99 117.98 111.13 1kn0 s PHE 95 Ca -0.12 0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.93 1kn0 s PHE 95 Cb 0.09 0.55 0.15 0.00 -0.63 0.00 0.00 43.02 43.18 1kn0 s PHE 95 CO 0.82 -0.58 0.33 0.08 -0.05 0.00 0.00 175.22 175.81 1kn0 s VAL 96 N -3.14 -0.16 0.07 -2.49 1.01 -1.26 -2.47 120.40 111.96 1kn0 s VAL 96 Ca 0.06 -1.31 -0.07 0.00 0.00 0.00 0.00 61.98 60.66 1kn0 s VAL 96 Cb -0.01 -0.83 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1kn0 s VAL 96 CO -0.07 -0.74 0.34 -1.81 0.00 0.00 0.00 175.10 172.81 1kn0 s ASP 97 N 1.22 6.53 -0.30 3.32 1.01 -0.27 -4.94 116.67 123.25 1kn0 s ASP 97 Ca 0.18 0.62 0.02 0.00 0.71 0.00 0.00 52.55 54.09 1kn0 s ASP 97 Cb -0.17 -2.11 0.07 0.00 1.01 0.00 0.00 42.92 41.73 1kn0 s ASP 97 CO -0.02 0.17 -0.02 -0.22 0.21 0.00 0.00 175.17 175.29 1kn0 s LEU 98 N -2.10 4.04 -0.38 1.23 2.96 -1.26 -0.57 118.68 122.60 1kn0 s LEU 98 Ca 0.33 -1.64 -0.04 0.00 -0.22 0.00 0.00 54.13 52.56 1kn0 s LEU 98 Cb -0.13 -1.62 0.08 0.00 0.50 0.00 0.00 46.19 45.02 1kn0 s LEU 98 CO 0.20 -0.28 0.16 0.20 -1.32 0.00 0.00 176.35 175.30 1kn0 s ASN 99 N 1.13 5.26 -0.54 3.68 0.01 -0.10 -4.81 114.94 119.57 1kn0 s ASN 99 Ca -0.01 -1.64 -0.27 0.00 -0.71 0.00 0.00 52.86 50.23 1kn0 s ASN 99 Cb -0.20 -1.84 0.04 0.00 0.41 0.00 0.00 41.25 39.66 1kn0 s ASN 99 CO -0.05 -0.45 0.65 -0.46 -1.51 0.00 0.00 177.10 175.28 1kn0 n ASN 100 N 4.70 -5.66 0.00 -1.22 6.94 -1.26 -2.24 115.26 116.51 1kn0 n ASN 100 Ca -0.08 -0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.22 1kn0 n ASN 100 Cb 0.42 -2.13 0.00 0.00 -2.36 0.00 0.00 39.78 35.72 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 -0.56 0.34 3.56 4.83 0.00 -1.26 -4.95 105.19 107.15 1kn0 n GLY 101 Ca -0.12 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.49 2.62 -0.16 1.61 1.02 -0.95 -4.36 119.74 119.02 1kn0 s LYS 102 Ca 0.00 -0.64 -0.06 0.00 0.02 0.00 0.00 55.97 55.28 1kn0 s LYS 102 Cb 0.00 -2.51 -0.04 0.00 -0.52 0.00 0.00 37.83 34.76 1kn0 s LYS 102 CO 0.00 0.63 0.05 -0.06 -0.92 0.00 0.00 175.35 175.05 1kn0 s PHE 103 N -0.86 3.24 -0.36 3.18 0.40 -0.15 -0.92 117.98 122.52 1kn0 s PHE 103 Ca 0.14 0.08 -0.01 0.00 -0.60 0.00 0.00 56.93 56.54 1kn0 s PHE 103 Cb -0.11 -2.02 0.09 0.00 0.51 0.00 0.00 43.02 41.49 1kn0 s PHE 103 CO 0.03 0.22 0.10 0.71 0.70 0.00 0.00 175.22 176.97 1kn0 s TYR 104 N 0.12 3.54 -0.11 0.36 1.51 0.27 -3.62 117.35 119.41 1kn0 s TYR 104 Ca 0.04 -2.42 0.01 0.00 -1.01 0.00 0.00 57.07 53.69 1kn0 s TYR 104 Cb -0.12 -2.80 -0.01 0.00 -0.11 0.00 0.00 41.96 38.91 1kn0 s TYR 104 CO 0.01 -0.92 -0.15 0.08 -1.11 0.00 0.00 175.55 173.46 1kn0 s VAL 105 N 1.11 2.94 -0.15 0.71 1.01 0.79 -1.11 120.40 125.69 1kn0 s VAL 105 Ca 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 61.98 61.32 1kn0 s VAL 105 Cb -0.21 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 33.99 1kn0 s VAL 105 CO -0.04 0.54 -0.12 -0.83 0.00 0.00 0.00 175.10 174.64 1kn0 s GLY 106 N 0.18 1.08 0.02 4.51 0.00 -1.03 -1.57 107.32 110.51 1kn0 s GLY 106 Ca -0.08 -0.88 0.06 0.00 0.00 0.00 0.00 44.72 43.82 1kn0 s GLY 106 CO 0.05 0.61 -0.17 0.14 0.00 0.00 0.00 173.10 173.74 1kn0 s VAL 107 N 1.52 1.35 0.16 1.40 1.01 0.10 -0.38 120.40 125.57 1kn0 s VAL 107 Ca 0.04 -0.94 0.11 0.00 0.00 0.00 0.00 61.98 61.19 1kn0 s VAL 107 Cb -0.13 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.04 1kn0 s VAL 107 CO -0.10 0.21 -0.24 0.00 0.00 0.00 0.00 175.10 174.98 1kn0 s ALA 109 N -1.51 -0.18 -0.23 0.00 0.00 -0.30 -1.25 121.76 118.27 1kn0 s ALA 109 Ca 0.17 0.09 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1kn0 s ALA 109 Cb -0.08 -0.07 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 1kn0 s ALA 109 CO 0.08 -0.07 0.02 -0.06 0.00 0.00 0.00 175.76 175.72 1kn0 s PHE 110 N -0.31 3.03 -0.03 0.00 0.40 0.17 0.73 117.98 121.98 1kn0 s PHE 110 Ca -0.04 -0.62 0.07 0.00 -0.60 0.00 0.00 56.93 55.74 1kn0 s PHE 110 Cb -0.03 -2.17 -0.02 0.00 0.51 0.00 0.00 43.02 41.31 1kn0 s PHE 110 CO 0.00 -0.42 -0.22 0.08 0.70 0.00 0.00 175.22 175.36 1kn0 s VAL 111 N 1.50 2.42 -0.14 -0.44 1.01 -0.58 -0.20 120.40 123.97 1kn0 s VAL 111 Ca 0.06 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.07 1kn0 s VAL 111 Cb -0.15 -1.89 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1kn0 s VAL 111 CO 0.01 0.57 -0.21 -0.60 0.00 0.00 0.00 175.10 174.87 1kn0 s ARG 112 N -0.70 3.05 -0.10 2.72 3.52 -0.50 -1.12 118.95 125.81 1kn0 s ARG 112 Ca 0.11 -0.84 -0.02 0.00 -0.13 0.00 0.00 55.73 54.84 1kn0 s ARG 112 Cb -0.10 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.79 1kn0 s ARG 112 CO -0.00 -0.02 0.00 0.08 -0.81 0.00 0.00 175.30 174.55 1kn0 s VAL 113 N 0.84 4.33 -0.02 7.11 1.01 0.16 -1.25 120.40 132.57 1kn0 s VAL 113 Ca -0.06 -0.24 0.01 0.00 0.00 0.00 0.00 61.98 61.70 1kn0 s VAL 113 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 36.38 33.40 1kn0 s VAL 113 CO -0.02 0.59 -0.05 -1.58 0.00 0.00 0.00 175.10 174.04 1kn0 s GLN 114 N -0.73 0.57 0.55 2.72 0.74 0.28 -1.13 119.66 122.67 1kn0 s GLN 114 Ca 0.11 -0.14 -0.05 0.00 0.05 0.00 0.00 55.36 55.33 1kn0 s GLN 114 Cb -0.12 -0.58 -0.00 0.00 1.10 0.00 0.00 33.01 33.41 1kn0 s GLN 114 CO 0.02 0.03 0.85 -0.51 -0.55 0.00 0.00 175.29 175.13 1kn0 s LEU 115 N 0.33 3.38 0.35 3.68 1.43 0.64 0.02 118.68 128.50 1kn0 s LEU 115 Ca -0.04 0.73 0.23 0.00 -1.03 0.00 0.00 54.13 54.03 1kn0 s LEU 115 Cb -0.08 -3.60 1.26 0.00 0.03 0.00 0.00 46.19 43.80 1kn0 s LEU 115 CO -0.00 -0.90 1.70 0.07 0.23 0.00 0.00 176.35 177.45 1kn0 h LYS 116 N -0.02 0.00 -0.03 1.70 2.10 -1.13 -1.24 116.57 117.96 1kn0 h LYS 116 Ca -0.46 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.19 1kn0 h LYS 116 Cb 1.24 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.57 1kn0 h LYS 116 CO 0.61 0.00 0.00 -0.40 -2.00 0.00 0.00 179.45 177.66 1kn0 n ASP 117 N -2.32 2.02 0.00 7.07 5.75 -1.23 -0.51 116.55 127.33 1kn0 n ASP 117 Ca -0.02 -1.67 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1kn0 n ASP 117 Cb 0.05 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1kn0 n ASP 117 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1kn0 n GLY 118 N 1.23 1.61 3.70 6.12 0.00 -0.47 -4.77 105.19 112.62 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 2.23 -3.55 1.61 2.88 -1.26 -4.74 113.62 110.79 1kn0 n SER 119 Ca 0.00 0.99 -0.16 0.00 -1.33 0.00 0.00 58.87 58.36 1kn0 n SER 119 Cb 0.00 -1.51 -0.06 0.00 -0.75 0.00 0.00 64.21 61.89 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 -1.30 -0.56 -0.01 0.66 -0.85 -1.26 -0.26 117.35 113.76 1kn0 s TYR 120 Ca 0.69 0.87 -0.02 0.00 -0.52 0.00 0.00 57.07 58.09 1kn0 s TYR 120 Cb -0.45 0.38 0.00 0.00 0.38 0.00 0.00 41.96 42.27 1kn0 s TYR 120 CO 0.52 -0.61 0.05 -1.01 -1.52 0.00 0.00 175.55 172.97 1kn0 s HIS 121 N -1.60 -0.01 -0.01 -3.49 3.76 -0.28 -5.00 115.29 108.66 1kn0 s HIS 121 Ca -0.09 0.04 0.03 0.00 -0.15 0.00 0.00 55.06 54.89 1kn0 s HIS 121 Cb -0.01 -0.01 -0.01 0.00 1.11 0.00 0.00 32.58 33.67 1kn0 s HIS 121 CO 0.06 -0.06 -0.10 -2.00 -0.85 0.00 0.00 174.74 171.79 1kn0 s GLU 122 N -0.23 0.83 0.22 1.40 2.12 -1.26 0.36 118.70 122.14 1kn0 s GLU 122 Ca -0.03 -0.36 -0.07 0.00 0.36 0.00 0.00 54.97 54.87 1kn0 s GLU 122 Cb -0.02 -0.80 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 1kn0 s GLU 122 CO 0.00 0.21 0.31 0.34 -0.54 0.00 0.00 175.26 175.58 1kn0 s ASP 123 N -0.21 0.03 0.06 -1.70 -1.08 -0.28 -4.94 116.67 108.55 1kn0 s ASP 123 Ca 0.03 -1.11 -0.11 0.00 -0.52 0.00 0.00 52.55 50.84 1kn0 s ASP 123 Cb -0.04 0.48 -0.06 0.00 -1.46 0.00 0.00 42.92 41.84 1kn0 s ASP 123 CO -0.00 -0.99 0.41 -0.69 0.52 0.00 0.00 175.17 174.42 1kn0 s VAL 124 N -4.07 5.07 0.27 1.11 1.01 -1.26 -1.52 120.40 121.01 1kn0 s VAL 124 Ca 0.28 0.57 0.11 0.00 0.00 0.00 0.00 61.98 62.95 1kn0 s VAL 124 Cb 0.03 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.70 1kn0 s VAL 124 CO 0.09 0.37 -0.18 -0.83 0.00 0.00 0.00 175.10 174.54 1kn0 s GLY 125 N -1.57 1.82 -0.02 4.51 0.00 0.22 -4.43 107.32 107.85 1kn0 s GLY 125 Ca 0.30 -1.85 -0.01 0.00 0.00 0.00 0.00 44.72 43.17 1kn0 s GLY 125 CO 0.17 -1.93 0.05 -0.47 0.00 0.00 0.00 173.10 170.91 1kn0 s TYR 126 N -2.60 -0.01 -0.00 1.90 5.04 -1.23 -1.15 117.35 119.28 1kn0 s TYR 126 Ca 0.29 0.17 0.05 0.00 -2.44 0.00 0.00 57.07 55.13 1kn0 s TYR 126 Cb -0.04 -0.15 -0.03 0.00 0.35 0.00 0.00 41.96 42.09 1kn0 s TYR 126 CO 0.14 -0.08 -0.15 0.20 -1.34 0.00 0.00 175.55 174.32 1kn0 s GLY 127 N 0.81 1.58 0.01 8.97 0.00 0.22 -3.97 107.32 114.95 1kn0 s GLY 127 Ca -0.07 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.58 1kn0 s GLY 127 CO -0.03 -0.92 -0.02 0.14 0.00 0.00 0.00 173.10 172.28 1kn0 s VAL 128 N -0.86 0.08 -0.17 1.40 1.01 -1.26 -0.72 120.40 119.87 1kn0 s VAL 128 Ca 0.14 -0.64 -0.05 0.00 0.00 0.00 0.00 61.98 61.43 1kn0 s VAL 128 Cb -0.11 -0.19 0.09 0.00 0.00 0.00 0.00 36.38 36.16 1kn0 s VAL 128 CO 0.04 -0.35 0.30 -0.55 0.00 0.00 0.00 175.10 174.53 1kn0 s SER 129 N -1.04 0.43 0.00 3.32 0.15 -0.61 -4.39 113.70 111.56 1kn0 s SER 129 Ca -0.11 0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.98 1kn0 s SER 129 Cb -0.07 0.82 0.00 0.00 -1.71 0.00 0.00 66.02 65.06 1kn0 s SER 129 CO -0.01 -0.26 0.38 -0.62 1.20 0.00 0.00 173.24 173.93 1kn0 n GLU 130 N 5.35 0.83 0.00 5.44 1.02 -1.25 -0.15 120.64 131.88 1kn0 n GLU 130 Ca -0.06 -0.38 0.00 0.00 -0.02 0.00 0.00 57.16 56.70 1kn0 n GLU 130 Cb 0.50 -0.88 0.00 0.00 -0.02 0.00 0.00 31.44 31.04 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 0.23 -0.29 0.00 0.62 0.00 -1.24 -4.58 105.19 99.93 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 -2.19 0.00 0.04 0.99 4.77 -1.26 -3.48 117.00 115.87 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 0.00 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.01 1kn0 n LEU 132 CO 0.00 0.00 -0.36 0.29 -1.33 0.00 0.00 177.39 175.99 1kn0 n LYS 133 N 0.00 0.60 -3.18 3.23 5.02 -1.26 -0.97 118.16 121.60 1kn0 n LYS 133 Ca 0.00 -0.04 -0.39 0.00 -2.02 0.00 0.00 58.31 55.86 1kn0 n LYS 133 Cb 0.00 -1.66 -0.05 0.00 -0.02 0.00 0.00 35.03 33.30 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 -4.83 6.79 -0.00 4.39 0.15 -1.26 -4.80 113.70 114.14 1kn0 s SER 134 Ca -0.04 0.95 -0.23 0.00 0.70 0.00 0.00 55.95 57.33 1kn0 s SER 134 Cb 0.12 -2.34 -0.19 0.00 -1.71 0.00 0.00 66.02 61.90 1kn0 s SER 134 CO 0.85 -0.10 1.23 0.50 1.20 0.00 0.00 173.24 176.92 1kn0 h LYS 135 N 6.90 0.20 -0.14 5.44 3.64 -1.97 -2.06 116.57 128.58 1kn0 h LYS 135 Ca -0.39 -0.13 0.05 0.00 -1.27 0.00 0.00 60.65 58.91 1kn0 h LYS 135 Cb 1.18 0.02 -0.07 0.00 -0.41 0.00 0.00 32.23 32.95 1kn0 h LYS 135 CO 0.76 0.71 -0.34 0.00 -2.27 0.00 0.00 179.45 178.31 1kn0 h ALA 136 N 0.48 -0.41 -0.55 5.00 0.00 -2.00 -0.71 119.26 121.07 1kn0 h ALA 136 Ca 0.00 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.93 1kn0 h ALA 136 Cb 0.71 0.65 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 1kn0 h ALA 136 CO 0.03 -0.82 0.33 -0.07 0.00 0.00 0.00 179.25 178.72 1kn0 h LEU 137 N -0.41 0.65 -0.93 0.00 4.07 -1.98 -0.83 115.31 115.88 1kn0 h LEU 137 Ca 0.10 -0.03 -0.04 0.00 0.08 0.00 0.00 57.88 57.99 1kn0 h LEU 137 Cb 0.56 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 42.10 1kn0 h LEU 137 CO -0.37 0.50 0.31 0.28 -1.08 0.00 0.00 178.44 178.08 1kn0 h SER 138 N 0.76 0.99 -0.04 -0.43 0.02 -0.43 -1.75 113.55 112.67 1kn0 h SER 138 Ca 0.20 -0.14 -0.11 0.00 -0.84 0.00 0.00 61.79 60.90 1kn0 h SER 138 Cb -0.03 -0.26 0.01 0.00 0.14 0.00 0.00 62.40 62.26 1kn0 h SER 138 CO -0.04 0.87 -0.40 -0.07 -1.14 0.00 0.00 176.83 176.05 1kn0 h LEU 139 N 1.07 0.43 -0.88 5.07 3.38 -0.63 -2.71 115.31 121.03 1kn0 h LEU 139 Ca 0.25 -0.70 0.12 0.00 0.09 0.00 0.00 57.88 57.65 1kn0 h LEU 139 Cb 0.17 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 40.71 1kn0 h LEU 139 CO -0.02 1.06 0.50 -0.08 0.09 0.00 0.00 178.44 179.99 1kn0 h GLU 140 N -0.17 0.75 0.76 1.13 4.81 -1.07 0.12 114.58 120.91 1kn0 h GLU 140 Ca -0.04 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.11 1kn0 h GLU 140 Cb 1.08 -0.17 0.01 0.00 0.63 0.00 0.00 28.75 30.30 1kn0 h GLU 140 CO 0.08 0.50 -0.37 -0.22 -0.73 0.00 0.00 179.01 178.27 1kn0 h LYS 141 N 0.78 -0.99 -0.95 1.92 3.11 -1.34 -2.47 116.57 116.62 1kn0 h LYS 141 Ca 0.45 0.07 0.02 0.00 -2.81 0.00 0.00 60.65 58.38 1kn0 h LYS 141 Cb 0.51 0.22 -0.05 0.00 -1.00 0.00 0.00 32.23 31.92 1kn0 h LYS 141 CO -0.30 -0.64 0.63 0.00 -2.81 0.00 0.00 179.45 176.33 1kn0 h ALA 142 N -1.14 1.24 -0.11 5.00 0.00 -1.14 -0.91 119.26 122.19 1kn0 h ALA 142 Ca -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1kn0 h ALA 142 Cb 0.80 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kn0 h ALA 142 CO 0.17 0.54 0.01 0.00 0.00 0.00 0.00 179.25 179.97 1kn0 h ARG 143 N 1.24 0.20 -0.39 0.00 3.08 -0.84 -0.36 114.38 117.32 1kn0 h ARG 143 Ca 0.37 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.30 1kn0 h ARG 143 Cb -0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.95 1kn0 h ARG 143 CO -0.10 0.42 0.00 0.87 -1.07 0.00 0.00 179.97 180.09 1kn0 h LYS 144 N -0.06 0.69 -0.08 0.04 1.57 -1.30 -2.83 116.57 114.59 1kn0 h LYS 144 Ca 0.03 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.59 1kn0 h LYS 144 Cb 0.33 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1kn0 h LYS 144 CO 0.00 0.78 0.05 0.93 -0.57 0.00 0.00 179.45 180.65 1kn0 h GLU 145 N 0.51 0.12 -0.92 3.15 5.08 -1.17 -2.13 114.58 119.22 1kn0 h GLU 145 Ca 0.11 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.66 1kn0 h GLU 145 Cb 0.47 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.58 1kn0 h GLU 145 CO 0.02 0.13 0.48 0.00 -1.00 0.00 0.00 179.01 178.64 1kn0 h ALA 146 N 0.98 1.51 0.60 3.43 0.00 -0.99 0.13 119.26 124.92 1kn0 h ALA 146 Ca 0.03 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1kn0 h ALA 146 Cb 0.04 0.04 0.01 0.00 0.00 0.00 0.00 17.79 17.87 1kn0 h ALA 146 CO -0.01 -0.21 -0.29 0.28 0.00 0.00 0.00 179.25 179.03 1kn0 h VAL 147 N 0.56 0.27 -0.55 0.00 2.07 -1.21 -0.65 116.25 116.74 1kn0 h VAL 147 Ca 0.55 -0.31 0.08 0.00 0.82 0.00 0.00 66.70 67.84 1kn0 h VAL 147 Cb 0.96 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.02 1kn0 h VAL 147 CO -0.45 0.03 0.21 0.74 0.02 0.00 0.00 177.57 178.12 1kn0 h THR 148 N -1.04 0.81 -0.95 2.57 2.02 -0.85 0.20 112.91 115.67 1kn0 h THR 148 Ca -0.08 -0.13 0.05 0.00 0.77 0.00 0.00 66.41 67.02 1kn0 h THR 148 Cb 0.67 0.39 -0.06 0.00 -1.74 0.00 0.00 68.15 67.40 1kn0 h THR 148 CO 0.13 0.07 0.61 -0.78 0.37 0.00 0.00 175.52 175.92 1kn0 h ASP 149 N 0.39 0.99 -0.04 4.18 3.58 -0.73 0.70 116.42 125.49 1kn0 h ASP 149 Ca 0.27 0.00 -0.00 0.00 0.42 0.00 0.00 57.03 57.72 1kn0 h ASP 149 Cb 0.30 -0.21 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 1kn0 h ASP 149 CO -0.27 0.65 0.01 1.23 -2.88 0.00 0.00 179.24 177.98 1kn0 h GLY 150 N 1.13 0.06 0.76 -0.78 0.00 0.66 -0.56 103.07 104.34 1kn0 h GLY 150 Ca 0.40 -0.03 0.05 0.00 0.00 0.00 0.00 47.33 47.74 1kn0 h GLY 150 CO -0.15 0.03 0.35 -2.00 0.00 0.00 0.00 176.54 174.77 1kn0 h LEU 151 N -0.13 0.54 -0.11 3.11 5.85 -0.08 -0.84 115.31 123.65 1kn0 h LEU 151 Ca 0.01 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.75 1kn0 h LEU 151 Cb 0.20 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 1kn0 h LEU 151 CO -0.00 0.36 0.06 0.11 -0.34 0.00 0.00 178.44 178.64 1kn0 h LYS 152 N 0.67 0.15 0.00 1.25 1.57 -0.75 -1.48 116.57 117.99 1kn0 h LYS 152 Ca 0.27 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 59.02 1kn0 h LYS 152 Cb 0.12 -0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 1kn0 h LYS 152 CO -0.15 0.17 -0.07 0.00 -0.57 0.00 0.00 179.45 178.83 1kn0 h ARG 153 N 0.10 0.00 0.00 3.15 3.08 -0.73 -2.00 114.38 117.98 1kn0 h ARG 153 Ca 0.04 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1kn0 h ARG 153 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.11 1kn0 h ARG 153 CO -0.01 0.07 -0.20 0.00 -1.07 0.00 0.00 179.97 178.76 1kn0 h ALA 154 N 1.93 0.02 -0.19 0.04 0.00 -0.66 -3.27 119.26 117.13 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 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1kn0 h ALA 154 CO 0.01 0.05 0.04 -0.07 0.00 0.00 0.00 179.25 179.28 1kn0 h LEU 155 N -0.60 0.23 -2.00 0.00 3.38 -1.03 -1.79 115.31 113.50 1kn0 h LEU 155 Ca -0.03 -0.02 0.18 0.00 0.09 0.00 0.00 57.88 58.10 1kn0 h LEU 155 Cb 0.99 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.65 1kn0 h LEU 155 CO 0.04 0.25 0.45 0.03 0.09 0.00 0.00 178.44 179.31 1kn0 h ARG 156 N 0.26 0.00 0.00 1.13 3.08 -1.41 0.75 114.38 118.19 1kn0 h ARG 156 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1kn0 h ARG 156 Cb 0.12 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.17 1kn0 h ARG 156 CO -0.00 0.00 0.00 0.77 -1.07 0.00 0.00 179.97 179.67 1kn0 h SER 157 N 0.00 0.00 1.17 7.04 0.02 -1.45 -2.56 113.55 117.78 1kn0 h SER 157 Ca 0.29 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 61.15 1kn0 h SER 157 Cb 1.20 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.72 1kn0 h SER 157 CO -0.00 0.00 -0.45 -0.26 -1.14 0.00 0.00 176.83 174.97 1kn0 h PHE 158 N 0.00 0.00 0.00 3.45 0.05 -1.02 -3.49 116.94 115.93 1kn0 h PHE 158 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1kn0 h PHE 158 Cb 0.18 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.13 1kn0 h PHE 158 CO 0.00 0.45 0.00 0.41 -0.18 0.00 0.00 178.31 178.99 1kn0 n GLY 159 N 0.76 0.69 0.11 -1.45 0.00 -0.96 -4.97 105.19 99.37 1kn0 n GLY 159 Ca 0.01 -1.40 -0.09 0.00 0.00 0.00 0.00 46.02 44.55 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 -0.02 0.00 1.61 2.35 -1.53 -1.81 115.58 116.17 1kn0 h ASN 160 Ca 0.00 0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.79 1kn0 h ASN 160 Cb 0.00 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.43 1kn0 h ASN 160 CO 0.00 0.02 0.20 0.00 -1.65 0.00 0.00 177.43 176.00 1kn0 n ALA 161 N -2.30 0.68 -0.85 -0.83 0.00 -0.36 0.65 120.51 117.50 1kn0 n ALA 161 Ca -0.02 0.06 0.08 0.00 0.00 0.00 0.00 53.44 53.56 1kn0 n ALA 161 Cb 0.10 -0.76 0.16 0.00 0.00 0.00 0.00 19.45 18.95 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 -1.65 2.78 0.00 0.00 4.77 -0.74 -4.92 117.00 117.24 1kn0 n LEU 162 Ca -0.00 -2.85 0.00 0.00 -0.03 0.00 0.00 56.01 53.12 1kn0 n LEU 162 Cb 0.21 -0.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.91 1kn0 n LEU 162 CO 0.03 0.67 0.00 0.61 -1.33 0.00 0.00 177.39 177.37 1kn0 n GLY 163 N -0.92 1.09 0.11 -0.72 0.00 0.21 -3.80 105.19 101.16 1kn0 n GLY 163 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.29 1kn0 n GLY 163 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1kn0 n ASN 164 N 0.00 0.68 0.08 1.61 5.15 -0.87 -2.91 115.26 119.00 1kn0 n ASN 164 Ca 0.00 0.63 -0.17 0.00 -0.60 0.00 0.00 54.58 54.44 1kn0 n ASN 164 Cb 0.00 -0.79 -0.09 0.00 -0.53 0.00 0.00 39.78 38.37 1kn0 n ASN 164 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1kn0 h ILE 166 N 0.24 0.03 0.05 0.00 6.09 -1.86 1.18 117.51 123.24 1kn0 h ILE 166 Ca -0.13 0.00 -0.31 0.00 -1.37 0.00 0.00 64.86 63.06 1kn0 h ILE 166 Cb 1.76 0.14 -0.03 0.00 0.47 0.00 0.00 36.82 39.15 1kn0 h ILE 166 CO 0.20 0.00 -1.70 -0.07 -3.07 0.00 0.00 178.15 173.51 1kn0 h LEU 167 N 0.00 0.18 -9.33 2.19 3.38 -1.76 -3.47 115.31 106.50 1kn0 h LEU 167 Ca 0.17 -0.34 -0.56 0.00 0.09 0.00 0.00 57.88 57.24 1kn0 h LEU 167 Cb 2.05 -0.06 0.02 0.00 0.09 0.00 0.00 40.66 42.76 1kn0 h LEU 167 CO -0.00 1.30 1.18 -0.67 0.09 0.00 0.00 178.44 180.34 1kn0 n ASP 168 N -3.25 3.91 -0.05 -0.43 -0.08 0.41 -4.88 116.55 112.18 1kn0 n ASP 168 Ca -0.19 0.93 -0.11 0.00 -1.51 0.00 0.00 54.79 53.90 1kn0 n ASP 168 Cb 1.04 -1.47 -0.06 0.00 2.34 0.00 0.00 41.12 42.97 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 10.04 0.26 -0.94 -0.67 1.57 -1.90 -2.03 116.57 122.89 1kn0 h LYS 169 Ca -0.49 -0.07 0.12 0.00 -1.87 0.00 0.00 60.65 58.34 1kn0 h LYS 169 Cb 1.25 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 1kn0 h LYS 169 CO 0.94 0.43 0.60 -0.44 -0.57 0.00 0.00 179.45 180.42 1kn0 h ASP 170 N 0.04 0.81 -0.37 0.86 3.32 -1.95 -0.24 116.42 118.88 1kn0 h ASP 170 Ca 0.05 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1kn0 h ASP 170 Cb 0.30 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1kn0 h ASP 170 CO 0.00 0.43 0.18 0.22 -1.72 0.00 0.00 179.24 178.35 1kn0 h TYR 171 N 0.87 0.54 0.28 4.55 3.20 -1.79 -2.89 116.97 121.71 1kn0 h TYR 171 Ca 0.47 -0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.30 1kn0 h TYR 171 Cb 0.56 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1kn0 h TYR 171 CO -0.00 0.46 -0.20 -0.07 -1.64 0.00 0.00 178.16 176.70 1kn0 h LEU 172 N 0.47 -0.51 -0.54 2.82 3.38 -0.35 -2.66 115.31 117.92 1kn0 h LEU 172 Ca 0.13 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.24 1kn0 h LEU 172 Cb 0.12 0.16 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1kn0 h LEU 172 CO -0.02 -0.31 -0.02 0.03 0.09 0.00 0.00 178.44 178.22 1kn0 h ARG 173 N -0.48 0.10 -0.02 1.13 3.08 -1.34 0.65 114.38 117.51 1kn0 h ARG 173 Ca -0.02 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.03 1kn0 h ARG 173 Cb 0.41 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 1kn0 h ARG 173 CO 0.00 0.07 0.14 0.77 -1.07 0.00 0.00 179.97 179.88 1kn0 h SER 174 N 0.10 0.00 0.34 7.04 0.02 -1.30 -1.44 113.55 118.31 1kn0 h SER 174 Ca 0.27 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.94 1kn0 h SER 174 Cb 0.42 0.00 0.02 0.00 0.14 0.00 0.00 62.40 62.98 1kn0 h SER 174 CO -0.47 0.00 -1.22 -0.07 -1.14 0.00 0.00 176.83 173.94 1kn0 h LEU 175 N 0.00 0.67 -0.51 5.07 3.38 0.65 -3.28 115.31 121.30 1kn0 h LEU 175 Ca 0.01 -0.64 -0.13 0.00 0.09 0.00 0.00 57.88 57.21 1kn0 h LEU 175 Cb 0.29 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1kn0 h LEU 175 CO -0.00 1.47 -0.18 0.78 0.09 0.00 0.00 178.44 180.61 1kn0 h ASN 176 N 0.19 1.04 0.00 -0.43 2.35 -0.96 -2.71 115.58 115.07 1kn0 h ASN 176 Ca -0.16 -0.38 0.00 0.00 -0.55 0.00 0.00 56.30 55.21 1kn0 h ASN 176 Cb 1.90 -0.29 0.00 0.00 0.05 0.00 0.00 38.32 39.98 1kn0 h ASN 176 CO 0.22 1.18 0.00 0.29 -1.65 0.00 0.00 177.43 177.47 1kn0 n LYS 177 N -4.12 0.43 -4.33 0.81 5.02 -0.98 -4.72 118.16 110.27 1kn0 n LYS 177 Ca 0.01 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 56.07 1kn0 n LYS 177 Cb 0.44 -1.23 -0.12 0.00 -0.02 0.00 0.00 35.03 34.11 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 2.40 -0.45 -0.35 1.43 -1.02 -5.05 118.68 115.64 1kn0 s LEU 178 Ca 0.00 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.00 1kn0 s LEU 178 Cb 0.00 -0.89 -0.09 0.00 0.03 0.00 0.00 46.19 45.25 1kn0 s LEU 178 CO 0.00 0.01 2.36 -2.65 0.23 0.00 0.00 176.35 176.30 1kn0 n PRO 179 N 0.49 1.19 -1.67 1.29 -0.02 -1.26 -4.81 135.00 130.21 1kn0 n PRO 179 Ca -0.15 0.18 -0.17 0.00 -2.02 0.00 0.00 63.50 61.35 1kn0 n PRO 179 Cb 0.56 -3.06 -0.10 0.00 -0.02 0.00 0.00 33.50 30.88 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 7.53 1.45 0.93 -0.52 3.00 -1.26 -4.89 118.95 125.20 1kn0 s ARG 180 Ca 1.04 -0.37 -0.11 0.00 -1.00 0.00 0.00 55.73 55.30 1kn0 s ARG 180 Cb -0.43 -4.98 0.13 0.00 0.00 0.00 0.00 34.95 29.67 1kn0 s ARG 180 CO 0.34 -5.09 0.99 0.00 0.00 0.00 0.00 175.30 171.54 1kn0 n GLN 181 N 8.32 -0.50 -3.79 5.12 10.64 -1.26 -5.02 117.38 130.89 1kn0 n GLN 181 Ca 0.43 -0.08 -0.32 0.00 -1.83 0.00 0.00 57.00 55.20 1kn0 n GLN 181 Cb 0.46 -2.26 -0.04 0.00 -0.86 0.00 0.00 30.24 27.53 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 -5.50 4.32 0.15 2.61 2.96 -1.26 -5.03 118.68 116.93 1kn0 s LEU 182 Ca 0.65 0.45 -0.23 0.00 -0.22 0.00 0.00 54.13 54.78 1kn0 s LEU 182 Cb -0.23 -3.09 -0.14 0.00 0.50 0.00 0.00 46.19 43.24 1kn0 s LEU 182 CO 0.60 0.13 0.44 -2.65 -1.32 0.00 0.00 176.35 173.54 1kn0 n PRO 183 N 0.30 0.00 -2.67 0.98 -0.02 -1.26 -4.89 135.00 127.44 1kn0 n PRO 183 Ca -0.05 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 61.03 1kn0 n PRO 183 Cb 0.52 -0.82 -0.05 0.00 -0.02 0.00 0.00 33.50 33.13 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 2.29 4.56 0.05 2.45 2.01 -1.26 -5.02 118.68 123.77 1kn0 s LEU 184 Ca 0.52 1.96 -0.30 0.00 0.01 0.00 0.00 54.13 56.32 1kn0 s LEU 184 Cb -0.76 -3.60 -0.04 0.00 0.01 0.00 0.00 46.19 41.80 1kn0 s LEU 184 CO 0.45 -0.01 1.00 -0.70 1.01 0.00 0.00 176.35 178.10 1kn0 s GLU 185 N -0.70 4.59 -0.43 1.70 2.12 -1.26 -5.01 118.70 119.71 1kn0 s GLU 185 Ca 0.45 1.48 -0.18 0.00 0.36 0.00 0.00 54.97 57.07 1kn0 s GLU 185 Cb -0.26 -3.41 0.02 0.00 0.26 0.00 0.00 34.13 30.73 1kn0 s GLU 185 CO 0.33 0.02 0.49 0.08 -0.54 0.00 0.00 175.26 175.63 1kn0 s VAL 186 N 0.64 5.02 -0.64 3.70 1.01 -1.26 -5.02 120.40 123.85 1kn0 s VAL 186 Ca 0.51 -0.26 -0.28 0.00 0.00 0.00 0.00 61.98 61.96 1kn0 s VAL 186 Cb -0.23 -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 1.88 6.25 -0.23 3.32 2.15 -1.26 -4.88 116.67 123.90 1kn0 s ASP 187 Ca 0.14 -0.09 0.05 0.00 0.43 0.00 0.00 52.55 53.08 1kn0 s ASP 187 Cb -0.16 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.35 1kn0 s ASP 187 CO 0.15 -1.69 1.46 0.18 -0.17 0.00 0.00 175.17 175.10 1kn0 n LEU 188 N 9.11 4.83 -0.03 -1.34 4.77 -1.26 -4.44 117.00 128.64 1kn0 n LEU 188 Ca 0.07 -2.52 -0.15 0.00 -0.03 0.00 0.00 56.01 53.39 1kn0 n LEU 188 Cb 0.49 -0.68 -0.09 0.00 -2.33 0.00 0.00 43.42 40.81 1kn0 n LEU 188 CO 0.71 0.71 0.47 0.71 -1.33 0.00 0.00 177.39 178.66 1kn0 h THR 189 N 1.30 1.43 -0.54 -5.08 1.35 -2.04 -3.18 112.91 106.15 1kn0 h THR 189 Ca 0.25 -1.66 -0.17 0.00 -0.55 0.00 0.00 66.41 64.28 1kn0 h THR 189 Cb 1.90 2.32 -0.10 0.00 -1.73 0.00 0.00 68.15 70.54 1kn0 h THR 189 CO 0.55 0.47 0.22 0.29 -0.25 0.00 0.00 175.52 176.80 1kn0 n LYS 190 N -4.49 2.86 -2.29 4.72 5.02 -1.26 -4.96 118.16 117.77 1kn0 n LYS 190 Ca -0.08 -2.15 -0.35 0.00 -2.02 0.00 0.00 58.31 53.70 1kn0 n LYS 190 Cb 0.46 -1.94 -0.00 0.00 -0.02 0.00 0.00 35.03 33.53 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 -2.26 2.72 0.09 7.82 0.00 -1.21 -4.95 121.76 123.97 1kn0 s ALA 191 Ca 0.39 0.81 -0.31 0.00 0.00 0.00 0.00 51.96 52.85 1kn0 s ALA 191 Cb 0.31 -3.35 -0.09 0.00 0.00 0.00 0.00 23.12 19.99 1kn0 s ALA 191 CO 0.09 -0.72 1.64 0.21 0.00 0.00 0.00 175.76 176.98 1kn0 s LYS 192 N -3.26 4.20 -0.00 0.00 2.20 -1.26 -4.90 119.74 116.72 1kn0 s LYS 192 Ca 0.72 2.34 0.05 0.00 -0.36 0.00 0.00 55.97 58.72 1kn0 s LYS 192 Cb -0.23 -3.52 -0.05 0.00 -1.51 0.00 0.00 37.83 32.52 1kn0 s LYS 192 CO 0.26 -0.71 0.19 0.54 -0.36 0.00 0.00 175.35 175.27 1kn0 n ARG 193 N 5.30 5.11 -4.03 4.03 1.74 -1.26 -5.06 116.66 122.49 1kn0 n ARG 193 Ca 0.16 -0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.14 1kn0 n ARG 193 Cb 0.40 -0.75 -0.08 0.00 -1.02 0.00 0.00 32.46 31.02 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 -1.50 1.11 0.03 5.56 1.03 -1.26 -5.11 119.66 119.52 1kn0 s GLN 194 Ca 0.02 -1.28 -0.30 0.00 0.04 0.00 0.00 55.36 53.83 1kn0 s GLN 194 Cb 0.03 0.34 -0.17 0.00 0.03 0.00 0.00 33.01 33.25 1kn0 s GLN 194 CO 0.19 -0.39 1.28 -0.44 -2.54 0.00 0.00 175.29 173.39 1kn0 h ASP 195 N 2.63 -0.91 -2.31 12.60 3.32 -2.05 -3.46 116.42 126.24 1kn0 h ASP 195 Ca -0.33 0.03 -0.59 0.00 0.02 0.00 0.00 57.03 56.16 1kn0 h ASP 195 Cb 1.22 0.24 0.18 0.00 0.22 0.00 0.00 39.33 41.19 1kn0 h ASP 195 CO 0.51 -0.57 -0.91 -0.11 -1.72 0.00 0.00 179.24 176.44 1kn0 n LEU 196 N -5.35 -2.25 -3.36 1.55 7.94 -1.26 -4.99 117.00 109.27 1kn0 n LEU 196 Ca -0.13 0.68 -0.26 0.00 -1.11 0.00 0.00 56.01 55.19 1kn0 n LEU 196 Cb 0.42 -0.95 -0.10 0.00 0.53 0.00 0.00 43.42 43.33 1kn0 n LEU 196 CO 0.32 -4.24 -0.29 -1.61 -1.11 0.00 0.00 177.39 170.46 1kn0 s GLU 197 N -1.35 0.87 0.27 1.96 0.41 -1.26 -5.02 118.70 114.57 1kn0 s GLU 197 Ca 0.61 -1.95 -0.02 0.00 -0.41 0.00 0.00 54.97 53.19 1kn0 s GLU 197 Cb -0.48 -1.31 0.57 0.00 -1.78 0.00 0.00 34.13 31.13 1kn0 s GLU 197 CO 0.62 -1.36 1.64 -1.35 -0.49 0.00 0.00 175.26 174.32 1kn0 h PRO 198 N 5.77 0.15 -0.19 0.39 0.11 -1.98 0.18 132.00 136.44 1kn0 h PRO 198 Ca 0.23 -0.01 0.04 0.00 0.11 0.00 0.00 66.00 66.38 1kn0 h PRO 198 Cb 0.93 -0.03 -0.04 0.00 0.11 0.00 0.00 31.00 31.96 1kn0 h PRO 198 CO 0.34 0.10 -0.09 1.03 -0.21 0.00 0.00 178.00 179.17 1kn0 h SER 199 N 0.16 -0.30 0.44 -2.05 0.87 -2.00 -1.39 113.55 109.28 1kn0 h SER 199 Ca 0.48 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 61.10 1kn0 h SER 199 Cb 0.92 0.17 0.00 0.00 -0.44 0.00 0.00 62.40 63.05 1kn0 h SER 199 CO -0.67 -0.12 -0.21 0.58 -0.53 0.00 0.00 176.83 175.88 1kn0 h VAL 200 N -0.07 0.35 -1.25 2.23 2.07 -1.64 -2.86 116.25 115.08 1kn0 h VAL 200 Ca 0.10 -0.56 0.39 0.00 0.82 0.00 0.00 66.70 67.46 1kn0 h VAL 200 Cb 0.22 0.52 -0.12 0.00 -1.52 0.00 0.00 31.29 30.39 1kn0 h VAL 200 CO -0.23 0.07 0.81 -0.08 0.02 0.00 0.00 177.57 178.15 1kn0 h GLU 201 N -1.01 0.16 0.36 1.57 4.57 -0.63 -1.29 114.58 118.32 1kn0 h GLU 201 Ca -0.06 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.09 1kn0 h GLU 201 Cb 0.56 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 29.12 1kn0 h GLU 201 CO 0.10 0.11 -0.17 1.49 -1.18 0.00 0.00 179.01 179.35 1kn0 h GLU 202 N 0.16 -0.47 -1.10 1.92 4.81 -1.22 -2.25 114.58 116.43 1kn0 h GLU 202 Ca 0.75 0.03 0.30 0.00 -0.13 0.00 0.00 59.36 60.32 1kn0 h GLU 202 Cb 2.29 0.11 -0.10 0.00 0.63 0.00 0.00 28.75 31.68 1kn0 h GLU 202 CO -0.37 -0.31 0.72 0.00 -0.73 0.00 0.00 179.01 178.31 1kn0 h ALA 203 N -1.44 2.40 -0.11 2.92 0.00 -1.06 -0.26 119.26 121.71 1kn0 h ALA 203 Ca -0.05 0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1kn0 h ALA 203 Cb 0.37 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.23 1kn0 h ALA 203 CO 0.08 -0.84 -0.23 -0.09 0.00 0.00 0.00 179.25 178.17 1kn0 h ARG 204 N 0.30 0.34 -0.62 0.00 2.43 -1.32 -2.81 114.38 112.70 1kn0 h ARG 204 Ca 0.63 -0.23 0.04 0.00 -0.81 0.00 0.00 59.98 59.62 1kn0 h ARG 204 Cb 1.77 0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 31.31 1kn0 h ARG 204 CO -0.30 0.83 0.41 -0.92 -1.51 0.00 0.00 179.97 178.48 1kn0 h TYR 205 N -0.09 0.67 -0.02 2.20 3.20 -0.44 0.27 116.97 122.75 1kn0 h TYR 205 Ca 0.00 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.89 1kn0 h TYR 205 Cb 0.82 -0.22 0.00 0.00 1.54 0.00 0.00 36.73 38.87 1kn0 h TYR 205 CO 0.11 0.38 0.00 0.09 -1.64 0.00 0.00 178.16 177.09 1kn0 n ASN 206 N -4.47 0.19 -0.70 -2.11 3.02 -0.71 -2.89 115.26 107.58 1kn0 n ASN 206 Ca 0.08 -1.39 0.12 0.00 -0.03 0.00 0.00 54.58 53.35 1kn0 n ASN 206 Cb 0.17 -0.01 0.13 0.00 -0.61 0.00 0.00 39.78 39.47 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 -0.69 2.37 -0.74 6.41 2.88 0.94 -5.07 113.62 119.73 1kn0 n SER 207 Ca 0.16 -1.71 0.09 0.00 -1.33 0.00 0.00 58.87 56.08 1kn0 n SER 207 Cb 0.10 0.17 0.08 0.00 -0.75 0.00 0.00 64.21 63.80 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81