#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 3.56 0.00 0.00 5.36 -1.26 -1.16 117.98 124.48 1kn0 s PHE 26 Ca 0.00 1.31 0.00 0.00 -0.96 0.00 0.00 56.93 57.28 1kn0 s PHE 26 Cb 0.00 -2.88 0.00 0.00 -0.34 0.00 0.00 43.02 39.80 1kn0 s PHE 26 CO 0.00 0.03 0.00 0.41 -1.46 0.00 0.00 175.22 174.20 1kn0 n GLY 27 N 3.14 3.34 0.10 13.12 0.00 0.97 -4.80 105.19 121.06 1kn0 n GLY 27 Ca 0.01 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.42 1.61 1.13 -1.19 -4.16 117.38 111.89 1kn0 n GLN 28 Ca 0.00 0.29 -0.48 0.00 -1.94 0.00 0.00 57.00 54.87 1kn0 n GLN 28 Cb 0.00 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.82 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 -1.00 2.44 0.61 0.00 -0.21 -1.26 -3.34 119.66 116.90 1kn0 s GLN 30 Ca 0.65 -0.80 -0.18 0.00 0.02 0.00 0.00 55.36 55.04 1kn0 s GLN 30 Cb -0.92 -2.26 -0.03 0.00 1.00 0.00 0.00 33.01 30.80 1kn0 s GLN 30 CO 0.56 0.54 1.23 0.71 -2.12 0.00 0.00 175.29 176.21 1kn0 s TYR 31 N -0.54 2.31 0.38 0.91 1.51 -1.26 -5.01 117.35 115.63 1kn0 s TYR 31 Ca 0.07 1.51 -0.02 0.00 -1.01 0.00 0.00 57.07 57.63 1kn0 s TYR 31 Cb -0.11 -3.53 -0.04 0.00 -0.11 0.00 0.00 41.96 38.17 1kn0 s TYR 31 CO 0.01 -2.39 0.62 0.95 -1.11 0.00 0.00 175.55 173.63 1kn0 s THR 32 N -1.57 5.04 0.28 -0.71 -4.23 -1.26 -4.88 115.64 108.30 1kn0 s THR 32 Ca 0.78 -0.20 0.02 0.00 -1.18 0.00 0.00 61.69 61.11 1kn0 s THR 32 Cb -0.32 -3.84 0.27 0.00 1.34 0.00 0.00 72.50 69.95 1kn0 s THR 32 CO 0.35 -0.61 1.78 0.00 -0.54 0.00 0.00 174.62 175.60 1kn0 h ALA 33 N 0.74 1.46 0.16 3.99 0.00 -1.99 -0.02 119.26 123.60 1kn0 h ALA 33 Ca -0.49 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1kn0 h ALA 33 Cb 1.21 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1kn0 h ALA 33 CO 0.62 -0.03 -0.08 0.93 0.00 0.00 0.00 179.25 180.70 1kn0 h GLU 34 N 0.73 -0.21 -0.55 0.00 3.07 -2.00 -1.68 114.58 113.96 1kn0 h GLU 34 Ca 0.51 0.01 -0.11 0.00 -0.50 0.00 0.00 59.36 59.27 1kn0 h GLU 34 Cb 0.72 0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.66 1kn0 h GLU 34 CO -0.36 -0.06 -0.10 1.49 -1.40 0.00 0.00 179.01 178.58 1kn0 h GLU 35 N -0.30 1.04 0.28 2.33 4.81 -1.82 -2.26 114.58 118.66 1kn0 h GLU 35 Ca -0.02 -0.38 0.00 0.00 -0.13 0.00 0.00 59.36 58.83 1kn0 h GLU 35 Cb 0.24 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.53 1kn0 h GLU 35 CO 0.04 1.07 -0.27 -0.92 -0.73 0.00 0.00 179.01 178.20 1kn0 h TYR 36 N 0.92 -0.71 -0.85 0.92 3.20 -0.96 -1.53 116.97 117.96 1kn0 h TYR 36 Ca 0.14 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.09 1kn0 h TYR 36 Cb 0.67 0.28 -0.06 0.00 1.54 0.00 0.00 36.73 39.15 1kn0 h TYR 36 CO 0.05 -0.39 0.52 0.37 -1.64 0.00 0.00 178.16 177.06 1kn0 h GLN 37 N -0.58 0.90 -0.04 1.82 4.15 -1.24 0.15 115.11 120.27 1kn0 h GLN 37 Ca -0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 1kn0 h GLN 37 Cb 0.53 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 28.01 1kn0 h GLN 37 CO -0.05 0.60 0.01 0.00 -1.93 0.00 0.00 178.83 177.46 1kn0 h ALA 38 N 1.42 0.05 -0.62 3.38 0.00 -1.09 -2.38 119.26 120.03 1kn0 h ALA 38 Ca 0.38 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 55.07 1kn0 h ALA 38 Cb 0.23 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1kn0 h ALA 38 CO -0.19 -0.33 0.00 0.82 0.00 0.00 0.00 179.25 179.55 1kn0 h ILE 39 N -0.16 1.27 -0.73 0.00 2.04 -1.03 -0.46 117.51 118.43 1kn0 h ILE 39 Ca 0.01 -1.16 0.05 0.00 1.00 0.00 0.00 64.86 64.76 1kn0 h ILE 39 Cb 0.24 0.79 -0.05 0.00 -0.74 0.00 0.00 36.82 37.05 1kn0 h ILE 39 CO 0.00 0.42 0.44 -0.61 0.00 0.00 0.00 178.15 178.40 1kn0 h GLN 40 N 0.99 0.80 0.16 2.37 5.75 -0.62 0.56 115.11 125.12 1kn0 h GLN 40 Ca 0.17 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.62 1kn0 h GLN 40 Cb 0.56 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.93 1kn0 h GLN 40 CO 0.03 0.53 -0.08 0.87 -2.65 0.00 0.00 178.83 177.53 1kn0 h LYS 41 N 0.82 -0.21 -1.00 1.69 1.57 -1.25 -3.28 116.57 114.91 1kn0 h LYS 41 Ca 0.31 0.01 0.14 0.00 -1.87 0.00 0.00 60.65 59.25 1kn0 h LYS 41 Cb 0.11 0.05 -0.09 0.00 0.08 0.00 0.00 32.23 32.38 1kn0 h LYS 41 CO -0.15 0.21 0.62 0.00 -0.57 0.00 0.00 179.45 179.56 1kn0 h ALA 42 N -0.13 1.55 -0.03 3.86 0.00 -0.86 -1.05 119.26 122.60 1kn0 h ALA 42 Ca -0.02 0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1kn0 h ALA 42 Cb 0.52 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 1kn0 h ALA 42 CO 0.04 0.12 0.04 -0.07 0.00 0.00 0.00 179.25 179.38 1kn0 h LEU 43 N 0.90 0.00 -1.00 0.00 3.38 -0.94 -1.85 115.31 115.80 1kn0 h LEU 43 Ca 0.52 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.39 1kn0 h LEU 43 Cb 0.63 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1kn0 h LEU 43 CO -0.31 0.00 -0.46 0.03 0.09 0.00 0.00 178.44 177.79 1kn0 h ARG 44 N 0.00 0.08 -6.41 1.13 3.08 -1.27 0.16 114.38 111.14 1kn0 h ARG 44 Ca 0.01 -0.04 -0.59 0.00 0.07 0.00 0.00 59.98 59.43 1kn0 h ARG 44 Cb 0.09 0.00 0.17 0.00 0.08 0.00 0.00 29.97 30.31 1kn0 h ARG 44 CO -0.00 0.53 -0.47 1.04 -1.07 0.00 0.00 179.97 180.00 1kn0 n GLN 45 N -3.98 0.49 -3.93 0.04 6.02 -0.70 -4.55 117.38 110.77 1kn0 n GLN 45 Ca -0.02 0.19 -0.31 0.00 -0.01 0.00 0.00 57.00 56.85 1kn0 n GLN 45 Cb 0.50 -1.59 -0.04 0.00 1.02 0.00 0.00 30.24 30.12 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 -1.85 3.41 0.45 -1.09 0.52 -1.26 -1.61 118.95 117.52 1kn0 s ARG 46 Ca 0.66 -0.44 -0.22 0.00 -0.52 0.00 0.00 55.73 55.21 1kn0 s ARG 46 Cb -0.49 -3.03 -0.08 0.00 0.52 0.00 0.00 34.95 31.87 1kn0 s ARG 46 CO 0.56 0.62 1.06 -0.51 0.02 0.00 0.00 175.30 177.05 1kn0 s LEU 47 N -2.43 3.97 0.89 2.53 2.01 -1.26 -4.95 118.68 119.43 1kn0 s LEU 47 Ca 0.34 2.03 -0.12 0.00 0.01 0.00 0.00 54.13 56.39 1kn0 s LEU 47 Cb -0.13 -4.38 0.17 0.00 0.01 0.00 0.00 46.19 41.86 1kn0 s LEU 47 CO 0.27 -0.71 1.23 -0.83 1.01 0.00 0.00 176.35 177.31 1kn0 s GLY 48 N -1.73 1.76 0.31 -3.19 0.00 -1.26 -4.94 107.32 98.26 1kn0 s GLY 48 Ca 0.64 -1.25 0.24 0.00 0.00 0.00 0.00 44.72 44.34 1kn0 s GLY 48 CO 0.25 -0.57 1.73 -2.55 0.00 0.00 0.00 173.10 171.97 1kn0 h PRO 49 N -1.32 0.00 0.00 2.90 0.11 -1.96 -2.61 132.00 129.12 1kn0 h PRO 49 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 1kn0 h PRO 49 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1kn0 h PRO 49 CO 0.42 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.60 1kn0 n GLU 50 N -2.32 0.01 -0.07 1.05 4.71 -1.26 -2.74 120.64 120.02 1kn0 n GLU 50 Ca 0.01 0.33 -0.07 0.00 -0.01 0.00 0.00 57.16 57.42 1kn0 n GLU 50 Cb 0.17 -1.52 -0.12 0.00 -1.01 0.00 0.00 31.44 28.96 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 -1.53 0.00 -2.22 -0.32 4.02 -0.98 -5.02 117.16 111.09 1kn0 n TYR 51 Ca 0.02 0.00 -0.33 0.00 -0.01 0.00 0.00 57.90 57.59 1kn0 n TYR 51 Cb 0.12 -0.72 -0.01 0.00 -0.02 0.00 0.00 39.34 38.71 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 -2.37 3.99 0.27 -0.72 -1.09 -1.11 -4.32 121.20 115.86 1kn0 s ILE 52 Ca -0.07 1.00 0.03 0.00 -2.23 0.00 0.00 60.65 59.38 1kn0 s ILE 52 Cb 0.04 -3.48 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1kn0 s ILE 52 CO 0.61 -0.51 0.28 -1.20 -1.23 0.00 0.00 174.94 172.89 1kn0 n SER 53 N -1.73 -0.75 -3.60 3.58 7.64 -0.12 -4.97 113.62 113.67 1kn0 n SER 53 Ca 0.08 -2.64 -0.14 0.00 1.01 0.00 0.00 58.87 57.18 1kn0 n SER 53 Cb 0.53 1.58 -0.06 0.00 -1.01 0.00 0.00 64.21 65.25 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 -2.79 -0.42 0.18 6.43 1.04 -1.26 -2.42 113.70 114.46 1kn0 s SER 54 Ca 0.28 0.22 0.02 0.00 0.48 0.00 0.00 55.95 56.95 1kn0 s SER 54 Cb 0.01 0.47 -0.05 0.00 0.10 0.00 0.00 66.02 66.55 1kn0 s SER 54 CO 0.20 -0.67 -0.00 -0.13 0.98 0.00 0.00 173.24 173.62 1kn0 s ARG 55 N -2.15 1.14 -0.45 4.02 0.52 -0.67 -4.96 118.95 116.41 1kn0 s ARG 55 Ca -0.07 -1.55 -0.14 0.00 -0.52 0.00 0.00 55.73 53.45 1kn0 s ARG 55 Cb -0.01 -0.34 0.07 0.00 0.52 0.00 0.00 34.95 35.19 1kn0 s ARG 55 CO 0.01 -0.12 0.35 1.41 0.02 0.00 0.00 175.30 176.96 1kn0 s MET 56 N -3.90 2.89 0.20 3.54 1.75 -1.26 -1.46 119.30 121.07 1kn0 s MET 56 Ca 0.24 -1.32 -0.32 0.00 -1.25 0.00 0.00 55.69 53.04 1kn0 s MET 56 Cb 0.06 -4.02 -0.14 0.00 2.84 0.00 0.00 34.83 33.57 1kn0 s MET 56 CO 0.05 -0.96 1.41 0.00 -0.65 0.00 0.00 175.02 174.86 1kn0 n ALA 57 N 5.13 0.78 -1.54 4.11 0.00 -0.27 -4.74 120.51 123.98 1kn0 n ALA 57 Ca -0.12 0.43 -0.28 0.00 0.00 0.00 0.00 53.44 53.47 1kn0 n ALA 57 Cb 0.44 -2.25 -0.08 0.00 0.00 0.00 0.00 19.45 17.56 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 2.44 -0.10 1.97 0.00 0.00 -1.26 -1.17 105.19 107.07 1kn0 n GLY 58 Ca 0.14 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.72 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 6.27 2.29 0.00 -0.02 0.00 -1.26 -4.99 105.19 107.48 1kn0 n GLY 59 Ca 0.48 -0.31 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 -2.10 0.00 -0.02 0.00 -0.32 -5.09 105.19 97.67 1kn0 n GLY 60 Ca 0.00 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.53 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 -1.14 3.17 -3.00 1.61 3.00 -1.26 -4.29 117.38 115.47 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 1.52 4.25 -0.24 -1.09 2.20 -1.26 -1.12 119.74 124.01 1kn0 s LYS 62 Ca 0.00 0.81 -0.08 0.00 -0.36 0.00 0.00 55.97 56.35 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 0.08 0.08 -0.36 0.00 0.00 175.35 174.85 1kn0 s VAL 63 N 2.06 4.49 0.17 4.02 1.01 -0.53 -4.94 120.40 126.67 1kn0 s VAL 63 Ca 0.33 -0.12 -0.13 0.00 0.00 0.00 0.00 61.98 62.06 1kn0 s VAL 63 Cb -0.16 -3.08 -0.07 0.00 0.00 0.00 0.00 36.38 33.06 1kn0 s VAL 63 CO 0.11 0.36 0.55 0.00 0.00 0.00 0.00 175.10 176.12 1kn0 s TYR 65 N -1.55 0.08 -0.12 0.00 -0.85 -1.02 -4.96 117.35 108.94 1kn0 s TYR 65 Ca 0.40 -0.61 0.02 0.00 -0.52 0.00 0.00 57.07 56.36 1kn0 s TYR 65 Cb -0.14 0.65 -0.01 0.00 0.38 0.00 0.00 41.96 42.85 1kn0 s TYR 65 CO 0.20 -1.34 -0.19 0.42 -1.52 0.00 0.00 175.55 173.11 1kn0 s ILE 66 N -3.21 2.49 0.55 -3.49 1.01 -1.26 -0.95 121.20 116.34 1kn0 s ILE 66 Ca 0.15 -0.86 -0.21 0.00 0.00 0.00 0.00 60.65 59.74 1kn0 s ILE 66 Cb -0.05 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.37 1kn0 s ILE 66 CO 0.10 0.54 1.24 -1.61 0.00 0.00 0.00 174.94 175.21 1kn0 s GLU 67 N 0.41 3.21 0.08 2.79 2.02 -1.26 -4.87 118.70 121.08 1kn0 s GLU 67 Ca -0.14 1.93 -0.24 0.00 0.02 0.00 0.00 54.97 56.54 1kn0 s GLU 67 Cb -0.17 -2.14 -0.09 0.00 0.10 0.00 0.00 34.13 31.83 1kn0 s GLU 67 CO 0.06 -1.04 1.39 0.78 0.02 0.00 0.00 175.26 176.47 1kn0 h GLY 68 N 1.33 -1.24 0.23 -1.39 0.00 -1.99 -1.89 103.07 98.12 1kn0 h GLY 68 Ca -0.50 0.69 0.22 0.00 0.00 0.00 0.00 47.33 47.73 1kn0 h GLY 68 CO 0.57 -0.31 0.68 1.12 0.00 0.00 0.00 176.54 178.59 1kn0 h HIS 69 N -0.40 0.00 0.59 5.60 2.07 -1.99 -1.56 115.15 119.45 1kn0 h HIS 69 Ca 0.03 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.52 1kn0 h HIS 69 Cb 0.48 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.46 1kn0 h HIS 69 CO -0.56 0.00 -0.28 0.00 -3.07 0.00 0.00 177.93 174.02 1kn0 h ARG 70 N 0.00 -0.76 -0.55 5.12 2.47 -1.72 -2.08 114.38 116.86 1kn0 h ARG 70 Ca 0.36 0.05 0.11 0.00 -1.26 0.00 0.00 59.98 59.24 1kn0 h ARG 70 Cb 1.71 0.17 -0.10 0.00 -1.65 0.00 0.00 29.97 30.10 1kn0 h ARG 70 CO -0.00 -0.50 -0.09 0.28 0.56 0.00 0.00 179.97 180.21 1kn0 h VAL 71 N -1.10 0.48 -0.30 2.04 2.07 -1.15 0.30 116.25 118.60 1kn0 h VAL 71 Ca -0.08 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.50 1kn0 h VAL 71 Cb 0.60 0.45 -0.07 0.00 -1.52 0.00 0.00 31.29 30.74 1kn0 h VAL 71 CO 0.13 0.01 -0.22 0.40 0.02 0.00 0.00 177.57 177.91 1kn0 h ILE 72 N 0.03 0.42 -0.71 4.57 2.04 -1.37 0.10 117.51 122.60 1kn0 h ILE 72 Ca 0.27 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.08 1kn0 h ILE 72 Cb 0.42 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1kn0 h ILE 72 CO -0.54 0.00 0.24 0.78 0.00 0.00 0.00 178.15 178.63 1kn0 h ASN 73 N -0.19 1.00 -0.81 1.72 2.35 -0.51 -1.09 115.58 118.05 1kn0 h ASN 73 Ca 0.16 -0.17 0.07 0.00 -0.55 0.00 0.00 56.30 55.80 1kn0 h ASN 73 Cb 0.43 -0.26 -0.06 0.00 0.05 0.00 0.00 38.32 38.48 1kn0 h ASN 73 CO -0.41 0.92 0.48 -0.07 -1.65 0.00 0.00 177.43 176.70 1kn0 h LEU 74 N 1.04 0.74 -0.34 1.61 3.38 0.83 -1.20 115.31 121.36 1kn0 h LEU 74 Ca 0.23 0.03 -0.15 0.00 0.09 0.00 0.00 57.88 58.08 1kn0 h LEU 74 Cb 0.27 -0.12 -0.00 0.00 0.09 0.00 0.00 40.66 40.89 1kn0 h LEU 74 CO -0.01 0.46 -0.38 0.00 0.09 0.00 0.00 178.44 178.60 1kn0 h ALA 75 N 1.40 0.51 0.00 1.53 0.00 -0.31 -0.34 119.26 122.05 1kn0 h ALA 75 Ca 0.36 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1kn0 h ALA 75 Cb 0.22 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1kn0 h ALA 75 CO -0.19 0.60 -0.09 -0.91 0.00 0.00 0.00 179.25 178.67 1kn0 h ASN 76 N 0.65 0.00 0.09 0.00 2.35 -0.69 0.73 115.58 118.72 1kn0 h ASN 76 Ca 0.05 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 1kn0 h ASN 76 Cb 0.97 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.35 1kn0 h ASN 76 CO 0.09 0.09 -0.85 -0.33 -1.65 0.00 0.00 177.43 174.78 1kn0 h GLU 77 N 0.00 0.20 -0.72 0.81 4.39 -1.08 0.19 114.58 118.37 1kn0 h GLU 77 Ca -0.00 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 1kn0 h GLU 77 Cb 0.17 0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1kn0 h GLU 77 CO 0.01 1.16 0.35 0.52 -1.16 0.00 0.00 179.01 179.90 1kn0 h MET 78 N -0.53 1.03 0.00 2.33 2.86 -0.79 -3.35 114.93 116.47 1kn0 h MET 78 Ca -0.17 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 1kn0 h MET 78 Cb 1.52 -0.19 0.00 0.00 0.06 0.00 0.00 31.60 32.99 1kn0 h MET 78 CO 0.07 0.80 -0.82 1.19 1.06 0.00 0.00 176.91 179.21 1kn0 n PHE 79 N -4.43 0.00 0.00 -0.22 3.01 0.23 -4.93 117.46 111.12 1kn0 n PHE 79 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.52 1kn0 n PHE 79 Cb 0.13 -0.08 0.00 0.00 -0.01 0.00 0.00 39.48 39.52 1kn0 n PHE 79 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 80 N 1.68 1.22 0.57 1.37 0.00 0.05 -3.52 105.19 106.55 1kn0 n GLY 80 Ca -0.00 -1.55 0.39 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.27 1.61 -0.00 -1.87 0.29 116.97 116.74 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 0.00 0.00 0.00 0.00 0.00 0.00 36.73 36.73 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 3.75 -0.00 0.10 6.94 -1.26 -4.59 115.26 116.06 1kn0 n ASN 82 Ca 0.29 -2.89 0.10 0.00 -0.02 0.00 0.00 54.58 52.06 1kn0 n ASN 82 Cb 1.39 -0.50 -0.12 0.00 -2.36 0.00 0.00 39.78 38.18 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 -0.39 -0.92 3.14 4.83 0.00 0.10 -4.80 105.19 107.15 1kn0 n GLY 83 Ca 0.20 -0.56 -0.09 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.01 0.78 0.18 1.61 1.48 -1.25 -0.46 118.94 118.27 1kn0 s TRP 84 Ca 0.05 -1.05 -0.16 0.00 -1.06 0.00 0.00 56.10 53.88 1kn0 s TRP 84 Cb 0.15 -0.48 0.03 0.00 -1.16 0.00 0.00 33.47 32.00 1kn0 s TRP 84 CO 0.84 -0.31 0.48 0.00 -4.06 0.00 0.00 176.95 173.89 1kn0 s ALA 85 N -3.82 -0.86 0.08 2.67 0.00 0.31 -4.95 121.76 115.18 1kn0 s ALA 85 Ca 0.14 -0.24 -0.10 0.00 0.00 0.00 0.00 51.96 51.76 1kn0 s ALA 85 Cb 0.07 0.82 0.00 0.00 0.00 0.00 0.00 23.12 24.02 1kn0 s ALA 85 CO -0.04 -0.76 0.22 -3.38 0.00 0.00 0.00 175.76 171.80 1kn0 s HIS 86 N -3.87 0.07 0.06 0.00 -3.43 -1.26 -0.05 115.29 106.82 1kn0 s HIS 86 Ca 0.09 -0.41 -0.13 0.00 -0.80 0.00 0.00 55.06 53.81 1kn0 s HIS 86 Cb 0.00 -0.01 0.02 0.00 -1.43 0.00 0.00 32.58 31.16 1kn0 s HIS 86 CO -0.05 -0.53 0.28 -1.54 -2.00 0.00 0.00 174.74 170.91 1kn0 s SER 87 N -2.59 -0.07 -0.40 7.38 1.04 -0.63 -4.98 113.70 113.44 1kn0 s SER 87 Ca 0.01 -0.32 -0.16 0.00 0.48 0.00 0.00 55.95 55.97 1kn0 s SER 87 Cb 0.03 0.36 0.01 0.00 0.10 0.00 0.00 66.02 66.52 1kn0 s SER 87 CO -0.09 -0.66 0.39 -0.63 0.98 0.00 0.00 173.24 173.23 1kn0 s ILE 88 N -2.96 5.15 0.12 -1.02 1.01 -1.26 -1.32 121.20 120.91 1kn0 s ILE 88 Ca -0.02 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.12 1kn0 s ILE 88 Cb 0.01 -3.97 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 1kn0 s ILE 88 CO -0.06 -0.33 1.57 0.74 0.00 0.00 0.00 174.94 176.86 1kn0 h THR 89 N 5.67 1.25 -1.70 2.92 2.02 -0.85 -3.47 112.91 118.75 1kn0 h THR 89 Ca -0.27 -0.92 0.06 0.00 0.77 0.00 0.00 66.41 66.04 1kn0 h THR 89 Cb 1.12 1.14 -0.22 0.00 -1.74 0.00 0.00 68.15 68.46 1kn0 h THR 89 CO 0.76 0.31 0.48 -1.58 0.37 0.00 0.00 175.52 175.86 1kn0 s GLN 90 N -5.08 0.69 -0.06 6.66 0.74 -1.19 -5.01 119.66 116.42 1kn0 s GLN 90 Ca -0.13 0.13 -0.00 0.00 0.05 0.00 0.00 55.36 55.40 1kn0 s GLN 90 Cb 0.09 0.33 0.03 0.00 1.10 0.00 0.00 33.01 34.56 1kn0 s GLN 90 CO 0.78 -0.23 -0.01 -1.14 -0.55 0.00 0.00 175.29 174.14 1kn0 s GLN 91 N -1.30 0.65 -0.08 1.67 0.74 -1.26 -0.38 119.66 119.70 1kn0 s GLN 91 Ca -0.03 0.03 0.04 0.00 0.05 0.00 0.00 55.36 55.45 1kn0 s GLN 91 Cb -0.00 -0.87 0.00 0.00 1.10 0.00 0.00 33.01 33.23 1kn0 s GLN 91 CO 0.02 -0.21 -0.20 1.21 -0.55 0.00 0.00 175.29 175.56 1kn0 s ASN 92 N 1.52 2.63 -0.47 6.67 2.47 -0.44 -5.01 114.94 122.30 1kn0 s ASN 92 Ca -0.02 -0.46 -0.27 0.00 0.42 0.00 0.00 52.86 52.54 1kn0 s ASN 92 Cb -0.13 -1.07 0.03 0.00 -1.45 0.00 0.00 41.25 38.62 1kn0 s ASN 92 CO -0.03 0.14 1.00 -0.69 -3.72 0.00 0.00 177.10 173.80 1kn0 s VAL 93 N 0.31 4.37 0.10 -5.21 1.01 -1.26 -1.67 120.40 118.05 1kn0 s VAL 93 Ca -0.14 0.88 -0.17 0.00 0.00 0.00 0.00 61.98 62.56 1kn0 s VAL 93 Cb -0.16 -4.51 -0.05 0.00 0.00 0.00 0.00 36.38 31.66 1kn0 s VAL 93 CO 0.06 -0.92 1.56 0.44 0.00 0.00 0.00 175.10 176.23 1kn0 h ASP 94 N 9.16 0.54 -4.50 3.32 3.32 -1.23 -3.48 116.42 123.55 1kn0 h ASP 94 Ca -0.24 -0.29 0.09 0.00 0.02 0.00 0.00 57.03 56.61 1kn0 h ASP 94 Cb 1.07 -0.14 -0.18 0.00 0.22 0.00 0.00 39.33 40.30 1kn0 h ASP 94 CO 1.07 0.70 0.49 0.72 -1.72 0.00 0.00 179.24 180.49 1kn0 s PHE 95 N -5.05 -0.38 -0.37 4.55 -0.12 -1.12 -4.98 117.98 110.51 1kn0 s PHE 95 Ca -0.13 0.42 0.01 0.00 -0.05 0.00 0.00 56.93 57.18 1kn0 s PHE 95 Cb 0.09 0.50 0.14 0.00 -0.63 0.00 0.00 43.02 43.12 1kn0 s PHE 95 CO 0.76 -0.48 0.23 0.08 -0.05 0.00 0.00 175.22 175.76 1kn0 s VAL 96 N -2.30 0.31 0.06 -2.49 1.01 -1.26 -1.85 120.40 113.88 1kn0 s VAL 96 Ca 0.01 -1.90 -0.06 0.00 0.00 0.00 0.00 61.98 60.04 1kn0 s VAL 96 Cb -0.01 -1.24 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 1kn0 s VAL 96 CO -0.04 -1.00 0.31 -1.81 0.00 0.00 0.00 175.10 172.56 1kn0 s ASP 97 N 0.89 6.51 -0.29 3.32 1.01 -0.17 -4.93 116.67 123.01 1kn0 s ASP 97 Ca 0.19 0.58 0.00 0.00 0.71 0.00 0.00 52.55 54.03 1kn0 s ASP 97 Cb -0.21 -2.09 0.05 0.00 1.01 0.00 0.00 42.92 41.69 1kn0 s ASP 97 CO -0.01 0.18 -0.04 -0.22 0.21 0.00 0.00 175.17 175.29 1kn0 s LEU 98 N -2.09 3.74 -0.31 1.23 2.96 -1.26 -0.27 118.68 122.67 1kn0 s LEU 98 Ca 0.33 -1.34 -0.00 0.00 -0.22 0.00 0.00 54.13 52.90 1kn0 s LEU 98 Cb -0.13 -1.65 0.07 0.00 0.50 0.00 0.00 46.19 44.98 1kn0 s LEU 98 CO 0.20 -0.24 0.01 0.20 -1.32 0.00 0.00 176.35 175.20 1kn0 s ASN 99 N 1.19 4.83 -0.47 3.68 0.01 -0.14 -4.86 114.94 119.18 1kn0 s ASN 99 Ca -0.06 -1.51 -0.37 0.00 -0.71 0.00 0.00 52.86 50.20 1kn0 s ASN 99 Cb -0.20 -1.68 0.06 0.00 0.41 0.00 0.00 41.25 39.83 1kn0 s ASN 99 CO -0.03 -0.30 0.67 -0.46 -1.51 0.00 0.00 177.10 175.47 1kn0 n ASN 100 N 4.53 -5.44 0.00 -1.22 6.94 -1.26 -1.62 115.26 117.19 1kn0 n ASN 100 Ca -0.10 -0.21 0.00 0.00 -0.02 0.00 0.00 54.58 54.25 1kn0 n ASN 100 Cb 0.43 -1.62 0.00 0.00 -2.36 0.00 0.00 39.78 36.22 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 -0.27 0.04 3.62 4.83 0.00 -1.26 -4.93 105.19 107.22 1kn0 n GLY 101 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.58 1kn0 n GLY 101 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1kn0 s LYS 102 N -0.56 2.73 -0.15 1.61 1.02 -0.64 -4.38 119.74 119.36 1kn0 s LYS 102 Ca 0.00 -0.59 -0.06 0.00 0.02 0.00 0.00 55.97 55.34 1kn0 s LYS 102 Cb 0.00 -2.60 -0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1kn0 s LYS 102 CO 0.00 0.64 0.05 -0.06 -0.92 0.00 0.00 175.35 175.06 1kn0 s PHE 103 N -0.93 3.24 -0.32 3.18 0.40 -0.34 -0.97 117.98 122.24 1kn0 s PHE 103 Ca 0.15 0.09 0.01 0.00 -0.60 0.00 0.00 56.93 56.58 1kn0 s PHE 103 Cb -0.11 -2.00 0.08 0.00 0.51 0.00 0.00 43.02 41.50 1kn0 s PHE 103 CO 0.05 0.25 0.02 0.71 0.70 0.00 0.00 175.22 176.94 1kn0 s TYR 104 N -0.00 3.47 -0.10 0.36 1.51 0.62 -3.59 117.35 119.62 1kn0 s TYR 104 Ca 0.05 -2.42 0.02 0.00 -1.01 0.00 0.00 57.07 53.71 1kn0 s TYR 104 Cb -0.12 -2.49 -0.02 0.00 -0.11 0.00 0.00 41.96 39.22 1kn0 s TYR 104 CO 0.01 -0.90 -0.16 0.08 -1.11 0.00 0.00 175.55 173.48 1kn0 s VAL 105 N 1.09 2.84 -0.10 0.71 1.01 0.75 -1.00 120.40 125.69 1kn0 s VAL 105 Ca 0.01 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.26 1kn0 s VAL 105 Cb -0.20 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.04 1kn0 s VAL 105 CO -0.05 0.55 -0.23 -0.83 0.00 0.00 0.00 175.10 174.55 1kn0 s GLY 106 N 0.01 1.28 0.02 4.51 0.00 -0.77 -2.14 107.32 110.24 1kn0 s GLY 106 Ca -0.05 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 43.74 1kn0 s GLY 106 CO 0.04 -0.24 -0.03 0.14 0.00 0.00 0.00 173.10 173.01 1kn0 s VAL 107 N 0.44 0.17 0.09 1.40 1.01 -0.58 -0.63 120.40 122.30 1kn0 s VAL 107 Ca -0.17 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.03 1kn0 s VAL 107 Cb -0.17 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.88 1kn0 s VAL 107 CO 0.07 -0.43 -0.16 0.00 0.00 0.00 0.00 175.10 174.58 1kn0 s ALA 109 N -1.44 0.38 -0.27 0.00 0.00 -0.54 -1.33 121.76 118.56 1kn0 s ALA 109 Ca 0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 51.96 51.37 1kn0 s ALA 109 Cb -0.09 0.06 0.04 0.00 0.00 0.00 0.00 23.12 23.12 1kn0 s ALA 109 CO 0.03 -0.05 -0.04 -0.06 0.00 0.00 0.00 175.76 175.65 1kn0 s PHE 110 N -1.18 3.15 -0.02 0.00 0.40 0.49 0.50 117.98 121.32 1kn0 s PHE 110 Ca -0.10 -1.68 0.02 0.00 -0.60 0.00 0.00 56.93 54.57 1kn0 s PHE 110 Cb -0.08 -2.08 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1kn0 s PHE 110 CO -0.00 -0.76 -0.06 0.08 0.70 0.00 0.00 175.22 175.18 1kn0 s VAL 111 N 1.30 3.70 -0.15 -0.44 1.01 -0.47 -0.08 120.40 125.26 1kn0 s VAL 111 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1kn0 s VAL 111 Cb -0.18 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1kn0 s VAL 111 CO -0.03 0.46 -0.13 -0.60 0.00 0.00 0.00 175.10 174.80 1kn0 s ARG 112 N -1.23 2.23 -0.08 2.72 3.52 -0.43 -1.25 118.95 124.44 1kn0 s ARG 112 Ca 0.16 -0.57 -0.05 0.00 -0.13 0.00 0.00 55.73 55.14 1kn0 s ARG 112 Cb -0.11 -2.11 -0.04 0.00 -1.56 0.00 0.00 34.95 31.13 1kn0 s ARG 112 CO 0.06 -0.26 0.14 0.08 -0.81 0.00 0.00 175.30 174.51 1kn0 s VAL 113 N 1.49 5.36 -0.01 7.11 1.01 0.04 -1.61 120.40 133.80 1kn0 s VAL 113 Ca 0.04 0.03 0.01 0.00 0.00 0.00 0.00 61.98 62.06 1kn0 s VAL 113 Cb -0.13 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.86 1kn0 s VAL 113 CO -0.10 0.51 -0.04 -1.58 0.00 0.00 0.00 175.10 173.88 1kn0 s GLN 114 N -1.35 0.39 0.49 2.72 0.74 0.93 -1.55 119.66 122.02 1kn0 s GLN 114 Ca 0.19 -0.14 -0.00 0.00 0.05 0.00 0.00 55.36 55.46 1kn0 s GLN 114 Cb -0.12 -0.40 0.01 0.00 1.10 0.00 0.00 33.01 33.60 1kn0 s GLN 114 CO 0.09 0.07 0.72 -0.51 -0.55 0.00 0.00 175.29 175.11 1kn0 s LEU 115 N 0.06 3.52 0.49 3.68 1.43 0.13 -0.53 118.68 127.45 1kn0 s LEU 115 Ca -0.00 0.27 0.30 0.00 -1.03 0.00 0.00 54.13 53.68 1kn0 s LEU 115 Cb -0.04 -3.14 1.66 0.00 0.03 0.00 0.00 46.19 44.70 1kn0 s LEU 115 CO -0.00 -0.84 1.92 0.07 0.23 0.00 0.00 176.35 177.73 1kn0 h LYS 116 N 0.26 0.00 -0.01 1.70 2.10 -1.08 -1.66 116.57 117.88 1kn0 h LYS 116 Ca -0.45 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.20 1kn0 h LYS 116 Cb 1.26 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.59 1kn0 h LYS 116 CO 0.57 0.00 -0.20 -0.40 -2.00 0.00 0.00 179.45 177.42 1kn0 n ASP 117 N -2.62 1.63 0.00 7.07 5.75 -1.21 -0.02 116.55 127.15 1kn0 n ASP 117 Ca -0.02 -1.34 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1kn0 n ASP 117 Cb 0.12 0.15 0.00 0.00 -1.03 0.00 0.00 41.12 40.35 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 1.31 1.54 3.49 6.12 0.00 -0.62 -4.72 105.19 112.31 1kn0 n GLY 118 Ca 0.14 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.15 -3.60 1.61 2.88 -1.26 -4.66 113.62 108.44 1kn0 n SER 119 Ca 0.00 1.06 -0.15 0.00 -1.33 0.00 0.00 58.87 58.45 1kn0 n SER 119 Cb 0.00 -1.14 -0.06 0.00 -0.75 0.00 0.00 64.21 62.26 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 -1.21 -0.44 -0.00 0.66 -0.85 -1.26 -0.70 117.35 113.55 1kn0 s TYR 120 Ca 0.62 0.64 -0.00 0.00 -0.52 0.00 0.00 57.07 57.80 1kn0 s TYR 120 Cb -0.72 0.30 -0.00 0.00 0.38 0.00 0.00 41.96 41.93 1kn0 s TYR 120 CO 0.58 -0.57 0.01 -1.01 -1.52 0.00 0.00 175.55 173.04 1kn0 s HIS 121 N -1.78 0.01 0.04 -3.49 3.76 -0.60 -5.00 115.29 108.23 1kn0 s HIS 121 Ca -0.09 -0.01 0.06 0.00 -0.15 0.00 0.00 55.06 54.87 1kn0 s HIS 121 Cb -0.01 -0.01 -0.02 0.00 1.11 0.00 0.00 32.58 33.64 1kn0 s HIS 121 CO 0.04 -0.02 -0.17 -2.00 -0.85 0.00 0.00 174.74 171.74 1kn0 s GLU 122 N -0.09 1.15 0.28 1.40 2.12 -1.26 -0.78 118.70 121.52 1kn0 s GLU 122 Ca -0.01 -0.82 -0.09 0.00 0.36 0.00 0.00 54.97 54.41 1kn0 s GLU 122 Cb -0.01 -1.21 -0.00 0.00 0.26 0.00 0.00 34.13 33.17 1kn0 s GLU 122 CO -0.00 0.31 0.46 0.34 -0.54 0.00 0.00 175.26 175.83 1kn0 s ASP 123 N -1.10 0.23 -0.07 -1.70 -1.08 -0.38 -4.90 116.67 107.68 1kn0 s ASP 123 Ca 0.04 -1.15 -0.04 0.00 -0.52 0.00 0.00 52.55 50.88 1kn0 s ASP 123 Cb -0.08 0.60 -0.04 0.00 -1.46 0.00 0.00 42.92 41.94 1kn0 s ASP 123 CO 0.01 -1.19 0.14 -0.69 0.52 0.00 0.00 175.17 173.97 1kn0 s VAL 124 N -3.66 5.34 0.30 1.11 1.01 -1.26 -1.37 120.40 121.87 1kn0 s VAL 124 Ca 0.26 -0.01 0.10 0.00 0.00 0.00 0.00 61.98 62.32 1kn0 s VAL 124 Cb -0.00 -3.39 -0.06 0.00 0.00 0.00 0.00 36.38 32.93 1kn0 s VAL 124 CO 0.13 0.48 -0.13 -0.83 0.00 0.00 0.00 175.10 174.75 1kn0 s GLY 125 N -1.43 1.97 -0.04 4.51 0.00 0.18 -4.45 107.32 108.07 1kn0 s GLY 125 Ca 0.20 -1.96 -0.02 0.00 0.00 0.00 0.00 44.72 42.95 1kn0 s GLY 125 CO 0.10 -1.96 0.08 -0.47 0.00 0.00 0.00 173.10 170.86 1kn0 s TYR 126 N -2.67 -0.07 0.02 1.90 5.04 -1.25 -1.46 117.35 118.86 1kn0 s TYR 126 Ca 0.30 0.27 0.05 0.00 -2.44 0.00 0.00 57.07 55.25 1kn0 s TYR 126 Cb 0.00 -0.11 -0.03 0.00 0.35 0.00 0.00 41.96 42.16 1kn0 s TYR 126 CO 0.14 -0.10 -0.10 0.20 -1.34 0.00 0.00 175.55 174.35 1kn0 s GLY 127 N 0.83 1.70 0.02 8.97 0.00 0.10 -4.06 107.32 114.88 1kn0 s GLY 127 Ca -0.07 -1.08 -0.00 0.00 0.00 0.00 0.00 44.72 43.57 1kn0 s GLY 127 CO -0.03 -0.96 -0.02 0.14 0.00 0.00 0.00 173.10 172.23 1kn0 s VAL 128 N -0.98 0.08 -0.18 1.40 1.01 -1.26 -1.53 120.40 118.94 1kn0 s VAL 128 Ca 0.17 -0.69 -0.05 0.00 0.00 0.00 0.00 61.98 61.41 1kn0 s VAL 128 Cb -0.11 -0.20 0.09 0.00 0.00 0.00 0.00 36.38 36.16 1kn0 s VAL 128 CO 0.07 -0.38 0.33 -0.55 0.00 0.00 0.00 175.10 174.57 1kn0 s SER 129 N -1.11 0.23 0.00 3.32 0.15 -0.91 -4.50 113.70 110.88 1kn0 s SER 129 Ca -0.12 0.58 0.00 0.00 0.70 0.00 0.00 55.95 57.11 1kn0 s SER 129 Cb -0.08 0.96 0.00 0.00 -1.71 0.00 0.00 66.02 65.20 1kn0 s SER 129 CO -0.01 -0.26 0.39 -0.62 1.20 0.00 0.00 173.24 173.94 1kn0 n GLU 130 N 5.36 -0.22 -0.01 5.44 1.02 -1.26 -0.18 120.64 130.80 1kn0 n GLU 130 Ca -0.06 -0.39 -0.01 0.00 -0.02 0.00 0.00 57.16 56.68 1kn0 n GLU 130 Cb 0.50 -0.88 -0.00 0.00 -0.02 0.00 0.00 31.44 31.03 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 0.08 -0.22 0.00 0.62 0.00 -1.24 -4.59 105.19 99.84 1kn0 n GLY 131 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -2.95 0.00 0.01 0.99 4.77 -1.26 -3.51 117.00 115.04 1kn0 n LEU 132 Ca -0.02 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.06 1kn0 n LEU 132 Cb 0.08 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.03 1kn0 n LEU 132 CO 0.03 0.00 -0.62 0.29 -1.33 0.00 0.00 177.39 175.77 1kn0 n LYS 133 N 0.00 0.65 -3.03 3.23 5.02 -1.26 -1.20 118.16 121.56 1kn0 n LYS 133 Ca 0.00 -0.13 -0.40 0.00 -2.02 0.00 0.00 58.31 55.76 1kn0 n LYS 133 Cb 0.00 -1.58 -0.05 0.00 -0.02 0.00 0.00 35.03 33.38 1kn0 n LYS 133 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1kn0 s SER 134 N -4.73 6.93 -0.02 4.39 0.15 -1.26 -4.76 113.70 114.40 1kn0 s SER 134 Ca -0.07 1.13 -0.26 0.00 0.70 0.00 0.00 55.95 57.46 1kn0 s SER 134 Cb 0.13 -2.41 -0.20 0.00 -1.71 0.00 0.00 66.02 61.83 1kn0 s SER 134 CO 0.88 -0.18 1.25 0.50 1.20 0.00 0.00 173.24 176.89 1kn0 h LYS 135 N 6.96 0.01 -0.02 5.44 3.64 -1.97 -2.34 116.57 128.29 1kn0 h LYS 135 Ca -0.38 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.03 1kn0 h LYS 135 Cb 1.18 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.94 1kn0 h LYS 135 CO 0.77 0.52 -0.43 0.00 -2.27 0.00 0.00 179.45 178.04 1kn0 h ALA 136 N 0.50 -0.68 -0.71 5.00 0.00 -2.00 -1.23 119.26 120.14 1kn0 h ALA 136 Ca 0.00 -0.04 0.09 0.00 0.00 0.00 0.00 54.91 54.96 1kn0 h ALA 136 Cb 0.51 0.76 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1kn0 h ALA 136 CO 0.00 -0.96 0.47 -0.07 0.00 0.00 0.00 179.25 178.69 1kn0 h LEU 137 N -0.57 0.56 -0.51 0.00 4.07 -1.98 -0.25 115.31 116.62 1kn0 h LEU 137 Ca 0.05 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 57.96 1kn0 h LEU 137 Cb 0.66 -0.11 -0.02 0.00 1.08 0.00 0.00 40.66 42.27 1kn0 h LEU 137 CO -0.33 0.34 0.09 0.28 -1.08 0.00 0.00 178.44 177.74 1kn0 h SER 138 N 0.63 0.81 0.16 -0.43 0.02 -0.74 -1.92 113.55 112.08 1kn0 h SER 138 Ca 0.32 -0.26 -0.01 0.00 -0.84 0.00 0.00 61.79 61.01 1kn0 h SER 138 Cb 0.43 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 62.76 1kn0 h SER 138 CO -0.11 0.86 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.29 1kn0 h LEU 139 N 0.72 -0.18 -0.90 5.07 3.38 -0.41 -2.18 115.31 120.82 1kn0 h LEU 139 Ca 0.16 -0.33 0.24 0.00 0.09 0.00 0.00 57.88 58.03 1kn0 h LEU 139 Cb 0.39 0.05 -0.13 0.00 0.09 0.00 0.00 40.66 41.05 1kn0 h LEU 139 CO 0.01 0.29 0.35 -0.08 0.09 0.00 0.00 178.44 179.10 1kn0 h GLU 140 N -0.70 0.31 0.04 1.13 4.81 -1.08 0.24 114.58 119.32 1kn0 h GLU 140 Ca -0.02 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.19 1kn0 h GLU 140 Cb 0.50 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.81 1kn0 h GLU 140 CO 0.04 0.20 -0.02 -0.22 -0.73 0.00 0.00 179.01 178.28 1kn0 h LYS 141 N 0.31 -0.05 -0.57 1.92 3.64 -1.24 -2.27 116.57 118.31 1kn0 h LYS 141 Ca 0.58 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.87 1kn0 h LYS 141 Cb 1.15 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.96 1kn0 h LYS 141 CO -0.59 0.14 -0.00 0.00 -2.27 0.00 0.00 179.45 176.74 1kn0 h ALA 142 N 0.72 0.77 -0.46 5.00 0.00 -0.38 -1.27 119.26 123.64 1kn0 h ALA 142 Ca -0.01 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.49 1kn0 h ALA 142 Cb 0.22 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1kn0 h ALA 142 CO 0.01 0.60 -0.14 0.00 0.00 0.00 0.00 179.25 179.71 1kn0 h ARG 143 N 0.89 0.91 -0.04 0.00 3.08 -0.63 -1.60 114.38 116.99 1kn0 h ARG 143 Ca 0.16 -0.36 -0.01 0.00 0.07 0.00 0.00 59.98 59.83 1kn0 h ARG 143 Cb 0.55 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.55 1kn0 h ARG 143 CO 0.03 1.02 -0.02 0.87 -1.07 0.00 0.00 179.97 180.79 1kn0 h LYS 144 N 0.75 0.09 -0.97 0.04 1.57 -1.37 -3.04 116.57 113.64 1kn0 h LYS 144 Ca 0.11 -0.04 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 1kn0 h LYS 144 Cb 0.70 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.96 1kn0 h LYS 144 CO 0.05 0.49 0.64 0.93 -0.57 0.00 0.00 179.45 180.99 1kn0 h GLU 145 N -0.31 1.22 -0.58 3.15 5.08 -1.24 -2.00 114.58 119.90 1kn0 h GLU 145 Ca 0.01 -0.07 0.03 0.00 -1.00 0.00 0.00 59.36 58.33 1kn0 h GLU 145 Cb 0.47 -0.28 -0.04 0.00 0.50 0.00 0.00 28.75 29.40 1kn0 h GLU 145 CO 0.01 0.81 0.35 0.00 -1.00 0.00 0.00 179.01 179.17 1kn0 h ALA 146 N 1.42 0.75 -0.00 3.43 0.00 -1.26 0.27 119.26 123.86 1kn0 h ALA 146 Ca 0.37 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.27 1kn0 h ALA 146 Cb -0.06 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1kn0 h ALA 146 CO -0.10 0.07 0.00 0.28 0.00 0.00 0.00 179.25 179.50 1kn0 h VAL 147 N 0.68 1.19 -0.70 0.00 2.07 -1.36 0.22 116.25 118.36 1kn0 h VAL 147 Ca 0.24 -0.55 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1kn0 h VAL 147 Cb 0.04 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 1kn0 h VAL 147 CO -0.11 0.14 0.41 0.74 0.02 0.00 0.00 177.57 178.78 1kn0 h THR 148 N -0.23 1.20 -0.93 2.57 2.02 -1.14 0.77 112.91 117.17 1kn0 h THR 148 Ca 0.00 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.71 1kn0 h THR 148 Cb 0.24 0.25 -0.05 0.00 -1.74 0.00 0.00 68.15 66.85 1kn0 h THR 148 CO 0.00 0.22 0.57 -0.78 0.37 0.00 0.00 175.52 175.89 1kn0 h ASP 149 N 0.95 1.11 0.31 4.18 3.58 -0.34 -0.87 116.42 125.34 1kn0 h ASP 149 Ca 0.25 -0.06 -0.02 0.00 0.42 0.00 0.00 57.03 57.62 1kn0 h ASP 149 Cb -0.01 -0.28 0.00 0.00 1.72 0.00 0.00 39.33 40.76 1kn0 h ASP 149 CO -0.05 0.85 -0.15 1.23 -2.88 0.00 0.00 179.24 178.24 1kn0 h GLY 150 N 1.28 -0.44 0.46 -0.78 0.00 0.67 -1.63 103.07 102.64 1kn0 h GLY 150 Ca 0.33 0.16 0.09 0.00 0.00 0.00 0.00 47.33 47.92 1kn0 h GLY 150 CO -0.06 -0.16 0.32 -2.00 0.00 0.00 0.00 176.54 174.64 1kn0 h LEU 151 N -0.51 0.40 -0.28 3.11 5.85 -0.63 0.51 115.31 123.76 1kn0 h LEU 151 Ca -0.04 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1kn0 h LEU 151 Cb 0.38 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1kn0 h LEU 151 CO 0.07 0.23 0.11 0.11 -0.34 0.00 0.00 178.44 178.62 1kn0 h LYS 152 N 0.55 0.43 -0.09 1.25 1.57 -1.05 -0.82 116.57 118.41 1kn0 h LYS 152 Ca 0.34 -0.08 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1kn0 h LYS 152 Cb 0.36 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.59 1kn0 h LYS 152 CO -0.27 0.46 -0.18 0.00 -0.57 0.00 0.00 179.45 178.89 1kn0 h ARG 153 N 0.31 0.15 -0.12 3.15 3.08 -0.71 -1.77 114.38 118.46 1kn0 h ARG 153 Ca 0.09 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 59.95 1kn0 h ARG 153 Cb 0.19 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.23 1kn0 h ARG 153 CO -0.01 0.33 -0.53 0.00 -1.07 0.00 0.00 179.97 178.69 1kn0 h ALA 154 N 1.69 0.22 0.00 0.04 0.00 -0.50 -3.15 119.26 117.57 1kn0 h ALA 154 Ca 0.03 -0.51 -0.05 0.00 0.00 0.00 0.00 54.91 54.37 1kn0 h ALA 154 Cb 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1kn0 h ALA 154 CO 0.03 0.43 -0.24 -0.07 0.00 0.00 0.00 179.25 179.39 1kn0 h LEU 155 N 0.19 0.00 -1.63 0.00 3.38 -0.92 -2.60 115.31 113.74 1kn0 h LEU 155 Ca -0.03 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.07 1kn0 h LEU 155 Cb 1.17 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.87 1kn0 h LEU 155 CO 0.11 0.24 0.47 0.03 0.09 0.00 0.00 178.44 179.38 1kn0 h ARG 156 N 0.00 0.37 -0.03 1.13 3.08 -1.28 -0.82 114.38 116.83 1kn0 h ARG 156 Ca -0.00 -0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.03 1kn0 h ARG 156 Cb 0.51 -0.08 -0.00 0.00 0.08 0.00 0.00 29.97 30.47 1kn0 h ARG 156 CO 0.03 0.25 0.15 0.77 -1.07 0.00 0.00 179.97 180.10 1kn0 h SER 157 N 0.38 0.00 0.82 7.04 0.02 -1.57 -1.32 113.55 118.92 1kn0 h SER 157 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 1kn0 h SER 157 Cb 0.79 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.33 1kn0 h SER 157 CO -0.10 0.00 -0.04 0.49 -1.14 0.00 0.00 176.83 176.04 1kn0 n PHE 158 N -3.15 0.00 0.00 3.45 3.01 -0.31 -5.00 117.46 115.45 1kn0 n PHE 158 Ca -0.02 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.44 1kn0 n PHE 158 Cb 0.22 -0.41 0.00 0.00 -0.01 0.00 0.00 39.48 39.28 1kn0 n PHE 158 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1kn0 n GLY 159 N 1.43 2.88 0.28 1.37 0.00 -0.50 -4.92 105.19 105.73 1kn0 n GLY 159 Ca 0.09 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.34 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 0.60 0.00 1.61 2.35 -1.62 -1.65 115.58 116.86 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 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1kn0 h ASN 160 CO 0.00 0.37 0.09 0.00 -1.65 0.00 0.00 177.43 176.24 1kn0 n ALA 161 N -2.37 0.91 -0.93 -0.83 0.00 0.51 -0.69 120.51 117.10 1kn0 n ALA 161 Ca 0.11 0.17 0.09 0.00 0.00 0.00 0.00 53.44 53.80 1kn0 n ALA 161 Cb 0.22 -1.14 0.21 0.00 0.00 0.00 0.00 19.45 18.73 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 -2.17 3.28 0.00 0.00 4.77 -0.65 -4.91 117.00 117.32 1kn0 n LEU 162 Ca -0.01 -2.94 0.00 0.00 -0.03 0.00 0.00 56.01 53.03 1kn0 n LEU 162 Cb 0.12 -0.47 0.00 0.00 -2.33 0.00 0.00 43.42 40.74 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 -0.74 0.86 0.14 -0.72 0.00 0.13 -3.78 105.19 101.08 1kn0 n GLY 163 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 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 0.60 0.09 1.61 5.15 -1.05 -1.84 115.26 119.81 1kn0 n ASN 164 Ca 0.00 0.69 -0.13 0.00 -0.60 0.00 0.00 54.58 54.55 1kn0 n ASN 164 Cb 0.00 -0.80 -0.13 0.00 -0.53 0.00 0.00 39.78 38.32 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 0.05 0.04 0.13 0.00 6.09 -1.69 0.48 117.51 122.61 1kn0 h ILE 166 Ca -0.10 0.00 -0.34 0.00 -1.37 0.00 0.00 64.86 63.05 1kn0 h ILE 166 Cb 1.91 0.25 -0.01 0.00 0.47 0.00 0.00 36.82 39.44 1kn0 h ILE 166 CO 0.17 0.00 -1.82 -0.07 -3.07 0.00 0.00 178.15 173.37 1kn0 h LEU 167 N 0.00 0.44 -9.05 2.19 3.38 -1.75 -3.47 115.31 107.04 1kn0 h LEU 167 Ca 0.12 -0.79 -0.66 0.00 0.09 0.00 0.00 57.88 56.64 1kn0 h LEU 167 Cb 1.72 -0.14 0.01 0.00 0.09 0.00 0.00 40.66 42.33 1kn0 h LEU 167 CO -0.00 1.69 1.15 -0.67 0.09 0.00 0.00 178.44 180.70 1kn0 n ASP 168 N -3.47 2.88 -0.07 -0.43 -0.08 0.17 -4.88 116.55 110.67 1kn0 n ASP 168 Ca -0.26 0.82 -0.10 0.00 -1.51 0.00 0.00 54.79 53.74 1kn0 n ASP 168 Cb 1.06 -1.30 -0.04 0.00 2.34 0.00 0.00 41.12 43.18 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 9.84 0.36 -0.96 -0.67 1.57 -1.91 -1.88 116.57 122.93 1kn0 h LYS 169 Ca -0.43 -0.06 0.11 0.00 -1.87 0.00 0.00 60.65 58.40 1kn0 h LYS 169 Cb 1.29 -0.06 -0.08 0.00 0.08 0.00 0.00 32.23 33.46 1kn0 h LYS 169 CO 0.97 0.40 0.59 -0.44 -0.57 0.00 0.00 179.45 180.41 1kn0 h ASP 170 N 0.24 0.88 -0.21 0.86 3.32 -1.96 -0.52 116.42 119.03 1kn0 h ASP 170 Ca 0.08 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 1kn0 h ASP 170 Cb 0.18 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 1kn0 h ASP 170 CO -0.01 0.48 0.12 0.22 -1.72 0.00 0.00 179.24 178.34 1kn0 h TYR 171 N 0.96 0.27 -0.38 4.55 3.20 -1.81 -2.80 116.97 120.96 1kn0 h TYR 171 Ca 0.47 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.36 1kn0 h TYR 171 Cb 0.43 -0.09 -0.03 0.00 1.54 0.00 0.00 36.73 38.58 1kn0 h TYR 171 CO -0.02 0.23 0.20 -0.07 -1.64 0.00 0.00 178.16 176.86 1kn0 h LEU 172 N 0.24 0.31 -0.68 2.82 3.38 -0.32 -2.31 115.31 118.77 1kn0 h LEU 172 Ca 0.07 0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.12 1kn0 h LEU 172 Cb 0.04 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.68 1kn0 h LEU 172 CO -0.01 0.23 0.38 0.03 0.09 0.00 0.00 178.44 179.15 1kn0 h ARG 173 N 0.42 0.67 0.00 1.13 3.08 -1.18 0.10 114.38 118.60 1kn0 h ARG 173 Ca 0.16 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1kn0 h ARG 173 Cb 0.05 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1kn0 h ARG 173 CO -0.10 0.44 0.00 0.77 -1.07 0.00 0.00 179.97 180.02 1kn0 h SER 174 N 0.69 0.00 0.73 7.04 0.02 -1.16 -1.64 113.55 119.24 1kn0 h SER 174 Ca 0.31 0.00 -0.26 0.00 -0.84 0.00 0.00 61.79 61.00 1kn0 h SER 174 Cb 0.20 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.72 1kn0 h SER 174 CO -0.19 0.00 -1.24 -0.07 -1.14 0.00 0.00 176.83 174.19 1kn0 h LEU 175 N 0.00 0.22 -0.30 5.07 3.38 -0.43 -3.29 115.31 119.95 1kn0 h LEU 175 Ca 0.00 -0.25 -0.19 0.00 0.09 0.00 0.00 57.88 57.53 1kn0 h LEU 175 Cb 0.06 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.74 1kn0 h LEU 175 CO 0.00 1.20 -0.55 0.78 0.09 0.00 0.00 178.44 179.96 1kn0 h ASN 176 N 0.04 0.98 0.00 -0.43 2.35 -1.06 -2.81 115.58 114.65 1kn0 h ASN 176 Ca -0.12 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.10 1kn0 h ASN 176 Cb 1.90 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.99 1kn0 h ASN 176 CO 0.16 1.33 0.00 0.29 -1.65 0.00 0.00 177.43 177.56 1kn0 n LYS 177 N -4.01 0.39 -4.40 0.81 5.02 -1.02 -4.71 118.16 110.24 1kn0 n LYS 177 Ca -0.04 0.00 -0.27 0.00 -2.02 0.00 0.00 58.31 55.98 1kn0 n LYS 177 Cb 0.63 -1.17 -0.12 0.00 -0.02 0.00 0.00 35.03 34.35 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 -0.14 2.40 -0.47 -0.35 1.43 -1.06 -5.06 118.68 115.42 1kn0 s LEU 178 Ca 0.00 -0.83 -0.29 0.00 -1.03 0.00 0.00 54.13 51.98 1kn0 s LEU 178 Cb 0.00 -1.13 -0.09 0.00 0.03 0.00 0.00 46.19 45.00 1kn0 s LEU 178 CO 0.00 0.11 2.37 -2.65 0.23 0.00 0.00 176.35 176.42 1kn0 n PRO 179 N 0.46 1.11 -1.67 1.29 -0.02 -1.26 -4.80 135.00 130.10 1kn0 n PRO 179 Ca -0.14 0.16 -0.17 0.00 -2.02 0.00 0.00 63.50 61.33 1kn0 n PRO 179 Cb 0.55 -2.99 -0.10 0.00 -0.02 0.00 0.00 33.50 30.94 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 7.62 1.41 0.95 -0.52 3.00 -1.26 -4.89 118.95 125.27 1kn0 s ARG 180 Ca 1.05 -0.41 -0.11 0.00 -1.00 0.00 0.00 55.73 55.26 1kn0 s ARG 180 Cb -0.46 -4.99 0.13 0.00 0.00 0.00 0.00 34.95 29.63 1kn0 s ARG 180 CO 0.35 -5.16 0.94 0.00 0.00 0.00 0.00 175.30 171.43 1kn0 n GLN 181 N 8.28 -0.61 -3.81 5.12 10.64 -1.26 -5.02 117.38 130.72 1kn0 n GLN 181 Ca 0.42 -0.12 -0.33 0.00 -1.83 0.00 0.00 57.00 55.15 1kn0 n GLN 181 Cb 0.46 -2.23 -0.05 0.00 -0.86 0.00 0.00 30.24 27.57 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 -5.27 4.35 0.12 2.61 2.96 -1.26 -5.03 118.68 117.16 1kn0 s LEU 182 Ca 0.64 0.45 -0.22 0.00 -0.22 0.00 0.00 54.13 54.79 1kn0 s LEU 182 Cb -0.23 -2.84 -0.13 0.00 0.50 0.00 0.00 46.19 43.50 1kn0 s LEU 182 CO 0.61 0.20 0.44 -2.65 -1.32 0.00 0.00 176.35 173.63 1kn0 n PRO 183 N 0.70 0.00 -2.66 0.98 -0.02 -1.26 -4.88 135.00 127.86 1kn0 n PRO 183 Ca -0.08 0.00 -0.40 0.00 -2.02 0.00 0.00 63.50 61.00 1kn0 n PRO 183 Cb 0.52 -0.78 -0.05 0.00 -0.02 0.00 0.00 33.50 33.17 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 1.79 4.59 -0.01 2.45 2.01 -1.26 -5.02 118.68 123.23 1kn0 s LEU 184 Ca 0.49 2.00 -0.29 0.00 0.01 0.00 0.00 54.13 56.35 1kn0 s LEU 184 Cb -0.71 -3.61 -0.03 0.00 0.01 0.00 0.00 46.19 41.85 1kn0 s LEU 184 CO 0.40 0.01 0.93 -0.70 1.01 0.00 0.00 176.35 178.00 1kn0 s GLU 185 N -0.93 4.54 -0.40 1.70 2.12 -1.26 -5.01 118.70 119.46 1kn0 s GLU 185 Ca 0.44 1.32 -0.18 0.00 0.36 0.00 0.00 54.97 56.90 1kn0 s GLU 185 Cb -0.27 -3.45 0.01 0.00 0.26 0.00 0.00 34.13 30.68 1kn0 s GLU 185 CO 0.34 -0.01 0.51 0.08 -0.54 0.00 0.00 175.26 175.64 1kn0 s VAL 186 N 0.92 5.00 -0.65 3.70 1.01 -1.26 -5.02 120.40 124.09 1kn0 s VAL 186 Ca 0.49 0.02 -0.27 0.00 0.00 0.00 0.00 61.98 62.22 1kn0 s VAL 186 Cb -0.20 -4.05 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1kn0 s VAL 186 CO 0.26 -0.39 1.36 -0.62 0.00 0.00 0.00 175.10 175.71 1kn0 s ASP 187 N 1.84 6.12 -0.39 3.32 2.15 -1.26 -4.89 116.67 123.56 1kn0 s ASP 187 Ca 0.17 -0.07 0.00 0.00 0.43 0.00 0.00 52.55 53.08 1kn0 s ASP 187 Cb -0.16 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.27 1kn0 s ASP 187 CO 0.15 -1.79 1.87 0.18 -0.17 0.00 0.00 175.17 175.41 1kn0 n LEU 188 N 9.59 6.40 0.04 -1.34 4.77 -1.26 -4.40 117.00 130.79 1kn0 n LEU 188 Ca 0.08 -3.39 -0.20 0.00 -0.03 0.00 0.00 56.01 52.47 1kn0 n LEU 188 Cb 0.49 -0.91 -0.14 0.00 -2.33 0.00 0.00 43.42 40.53 1kn0 n LEU 188 CO 0.71 1.15 -0.06 0.71 -1.33 0.00 0.00 177.39 178.57 1kn0 h THR 189 N 0.87 1.41 -0.59 -5.08 1.35 -2.04 -3.31 112.91 105.52 1kn0 h THR 189 Ca 0.42 -2.50 -0.17 0.00 -0.55 0.00 0.00 66.41 63.60 1kn0 h THR 189 Cb 1.42 3.09 -0.10 0.00 -1.73 0.00 0.00 68.15 70.83 1kn0 h THR 189 CO 0.95 0.71 0.22 0.29 -0.25 0.00 0.00 175.52 177.44 1kn0 n LYS 190 N -4.09 3.20 -2.21 4.72 5.02 -1.26 -4.96 118.16 118.57 1kn0 n LYS 190 Ca -0.16 -2.43 -0.36 0.00 -2.02 0.00 0.00 58.31 53.33 1kn0 n LYS 190 Cb 0.83 -2.03 0.00 0.00 -0.02 0.00 0.00 35.03 33.81 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 -2.47 2.85 0.20 7.82 0.00 -1.25 -4.94 121.76 123.97 1kn0 s ALA 191 Ca 0.44 0.93 -0.32 0.00 0.00 0.00 0.00 51.96 53.01 1kn0 s ALA 191 Cb 0.35 -3.39 -0.11 0.00 0.00 0.00 0.00 23.12 19.96 1kn0 s ALA 191 CO 0.11 -0.77 1.64 0.21 0.00 0.00 0.00 175.76 176.95 1kn0 s LYS 192 N -2.92 4.17 -0.00 0.00 2.20 -1.26 -4.90 119.74 117.03 1kn0 s LYS 192 Ca 0.68 2.49 0.01 0.00 -0.36 0.00 0.00 55.97 58.79 1kn0 s LYS 192 Cb -0.28 -3.10 -0.01 0.00 -1.51 0.00 0.00 37.83 32.92 1kn0 s LYS 192 CO 0.33 -0.67 0.04 0.54 -0.36 0.00 0.00 175.35 175.23 1kn0 n ARG 193 N 3.80 6.35 -3.92 4.03 1.74 -1.26 -5.06 116.66 122.34 1kn0 n ARG 193 Ca 0.14 -0.00 -0.09 0.00 -0.77 0.00 0.00 57.85 57.13 1kn0 n ARG 193 Cb 0.37 -0.57 -0.08 0.00 -1.02 0.00 0.00 32.46 31.16 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 -1.14 0.92 0.06 5.56 1.03 -1.26 -5.10 119.66 119.73 1kn0 s GLN 194 Ca 0.00 -1.07 -0.38 0.00 0.04 0.00 0.00 55.36 53.96 1kn0 s GLN 194 Cb 0.01 0.34 -0.21 0.00 0.03 0.00 0.00 33.01 33.18 1kn0 s GLN 194 CO 0.04 -0.30 1.57 -0.44 -2.54 0.00 0.00 175.29 173.62 1kn0 h ASP 195 N 2.73 -1.18 -2.39 12.60 3.32 -2.05 -3.46 116.42 125.99 1kn0 h ASP 195 Ca -0.33 0.05 -0.60 0.00 0.02 0.00 0.00 57.03 56.17 1kn0 h ASP 195 Cb 1.20 0.32 0.17 0.00 0.22 0.00 0.00 39.33 41.24 1kn0 h ASP 195 CO 0.55 -0.81 -0.73 -0.11 -1.72 0.00 0.00 179.24 176.42 1kn0 n LEU 196 N -5.67 -1.34 -3.41 1.55 7.94 -1.26 -4.99 117.00 109.83 1kn0 n LEU 196 Ca -0.16 0.74 -0.27 0.00 -1.11 0.00 0.00 56.01 55.20 1kn0 n LEU 196 Cb 0.53 -1.02 -0.11 0.00 0.53 0.00 0.00 43.42 43.36 1kn0 n LEU 196 CO 0.39 -3.79 -0.31 -1.61 -1.11 0.00 0.00 177.39 170.97 1kn0 s GLU 197 N -1.50 0.75 0.22 1.96 0.41 -1.26 -5.03 118.70 114.25 1kn0 s GLU 197 Ca 0.63 -1.74 -0.10 0.00 -0.41 0.00 0.00 54.97 53.35 1kn0 s GLU 197 Cb -0.51 -1.32 0.32 0.00 -1.78 0.00 0.00 34.13 30.85 1kn0 s GLU 197 CO 0.60 -1.31 1.67 -1.35 -0.49 0.00 0.00 175.26 174.38 1kn0 h PRO 198 N 6.22 0.15 -0.36 0.39 0.11 -1.98 0.14 132.00 136.67 1kn0 h PRO 198 Ca 0.18 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 66.34 1kn0 h PRO 198 Cb 0.94 -0.03 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 1kn0 h PRO 198 CO 0.31 0.10 0.02 1.03 -0.21 0.00 0.00 178.00 179.26 1kn0 h SER 199 N 0.16 -0.10 0.52 -2.05 0.87 -2.00 -1.09 113.55 109.86 1kn0 h SER 199 Ca 0.34 0.08 -0.03 0.00 -1.23 0.00 0.00 61.79 60.95 1kn0 h SER 199 Cb 0.55 0.13 0.01 0.00 -0.44 0.00 0.00 62.40 62.64 1kn0 h SER 199 CO -0.51 -0.01 -0.25 0.58 -0.53 0.00 0.00 176.83 176.11 1kn0 h VAL 200 N 0.13 0.34 -1.06 2.23 2.07 -1.78 -2.88 116.25 115.29 1kn0 h VAL 200 Ca 0.18 -0.40 0.28 0.00 0.82 0.00 0.00 66.70 67.57 1kn0 h VAL 200 Cb 0.23 0.47 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1kn0 h VAL 200 CO -0.28 0.05 0.69 -0.08 0.02 0.00 0.00 177.57 177.97 1kn0 h GLU 201 N -1.00 0.33 0.37 1.57 4.57 -0.63 -0.97 114.58 118.82 1kn0 h GLU 201 Ca -0.07 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1kn0 h GLU 201 Cb 0.62 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 1kn0 h GLU 201 CO 0.12 0.22 -0.18 1.49 -1.18 0.00 0.00 179.01 179.48 1kn0 h GLU 202 N 0.34 -0.48 -0.95 1.92 4.81 -1.20 -2.33 114.58 116.69 1kn0 h GLU 202 Ca 0.60 0.03 0.26 0.00 -0.13 0.00 0.00 59.36 60.12 1kn0 h GLU 202 Cb 1.62 0.11 -0.13 0.00 0.63 0.00 0.00 28.75 30.97 1kn0 h GLU 202 CO -0.27 -0.32 0.47 0.00 -0.73 0.00 0.00 179.01 178.16 1kn0 h ALA 203 N -1.46 1.64 0.18 2.92 0.00 -1.19 -0.76 119.26 120.59 1kn0 h ALA 203 Ca -0.05 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 1kn0 h ALA 203 Cb 0.38 0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.31 1kn0 h ALA 203 CO 0.08 -0.40 -0.09 -0.09 0.00 0.00 0.00 179.25 178.76 1kn0 h ARG 204 N 0.40 -0.23 -0.97 0.00 2.43 -1.24 -2.42 114.38 112.35 1kn0 h ARG 204 Ca 0.63 0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.95 1kn0 h ARG 204 Cb 1.27 0.05 -0.09 0.00 -0.42 0.00 0.00 29.97 30.79 1kn0 h ARG 204 CO -0.55 -0.06 0.59 -0.92 -1.51 0.00 0.00 179.97 177.51 1kn0 h TYR 205 N -0.36 1.06 0.00 2.20 3.20 -0.58 0.64 116.97 123.13 1kn0 h TYR 205 Ca -0.02 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.88 1kn0 h TYR 205 Cb 0.28 -0.33 0.00 0.00 1.54 0.00 0.00 36.73 38.22 1kn0 h TYR 205 CO -0.03 0.37 0.00 0.09 -1.64 0.00 0.00 178.16 176.94 1kn0 n ASN 206 N -4.69 0.00 -0.30 -2.11 3.02 -0.81 -2.26 115.26 108.10 1kn0 n ASN 206 Ca 0.19 -0.07 0.14 0.00 -0.03 0.00 0.00 54.58 54.81 1kn0 n ASN 206 Cb 0.40 -0.26 0.50 0.00 -0.61 0.00 0.00 39.78 39.81 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 -1.26 1.07 -0.69 6.41 2.88 0.22 -5.09 113.62 117.15 1kn0 n SER 207 Ca 0.11 -1.08 0.09 0.00 -1.33 0.00 0.00 58.87 56.65 1kn0 n SER 207 Cb 0.16 0.04 0.07 0.00 -0.75 0.00 0.00 64.21 63.74 1kn0 n SER 207 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81