#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n ASN 3 N 0.00 -3.40 0.00 1.61 6.94 -1.26 -5.13 115.26 114.02 3knn n ASN 3 Ca 0.00 0.77 0.00 0.00 -0.02 0.00 0.00 54.58 55.33 3knn n ASN 3 Cb 0.00 3.25 0.00 0.00 -2.36 0.00 0.00 39.78 40.67 3knn n ASN 3 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 3knn n LYS 4 N -3.28 0.00 0.00 -3.83 5.02 -1.26 -4.88 118.16 109.93 3knn n LYS 4 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knn n LYS 4 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 3knn n LYS 4 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3knn n ILE 5 N 0.94 0.00 0.00 -0.18 -6.64 -1.26 -4.95 119.36 107.27 3knn n ILE 5 Ca 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 62.75 60.98 3knn n ILE 5 Cb 0.00 -0.16 0.00 0.00 -1.44 0.00 0.00 39.64 38.04 3knn n ILE 5 CO 0.00 0.00 0.00 1.57 -1.77 0.00 0.00 176.55 176.35 3knn n HIS 6 N 0.00 0.00 0.10 4.28 -0.00 -1.26 -5.04 115.22 113.30 3knn n HIS 6 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.72 57.79 3knn n HIS 6 Cb 0.00 0.00 0.11 0.00 -0.00 0.00 0.00 29.99 30.10 3knn n HIS 6 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3knn n PRO 7 N 0.00 0.02 0.00 1.57 -0.04 -1.26 -1.67 135.00 133.61 3knn n PRO 7 Ca 0.00 0.73 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3knn n PRO 7 Cb 0.00 -1.91 0.00 0.00 -0.04 0.00 0.00 33.50 31.55 3knn n PRO 7 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3knn n ILE 8 N -2.26 0.00 0.00 0.52 2.08 -1.26 -2.37 119.36 116.07 3knn n ILE 8 Ca 0.06 0.33 0.00 0.00 0.56 0.00 0.00 62.75 63.70 3knn n ILE 8 Cb 0.89 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.76 3knn n ILE 8 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 3knn n GLY 9 N 2.14 0.00 0.02 7.39 0.00 -0.67 0.20 105.19 114.26 3knn n GLY 9 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.06 3knn n GLY 9 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 3knn n PHE 10 N -0.75 0.00 0.12 1.61 7.35 -0.87 -4.45 117.46 120.47 3knn n PHE 10 Ca 0.00 0.00 0.05 0.00 -0.76 0.00 0.00 57.45 56.74 3knn n PHE 10 Cb 0.00 -0.38 -0.07 0.00 0.35 0.00 0.00 39.48 39.38 3knn n PHE 10 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 3knn n ARG 11 N -2.08 1.23 0.00 -4.13 5.12 0.16 -4.80 116.66 112.16 3knn n ARG 11 Ca -0.07 -0.07 0.00 0.00 -1.93 0.00 0.00 57.85 55.79 3knn n ARG 11 Cb 0.48 -1.16 0.00 0.00 -1.16 0.00 0.00 32.46 30.61 3knn n ARG 11 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 3knn n LEU 12 N -1.68 0.00 -0.35 0.55 -0.00 0.53 0.86 117.00 116.91 3knn n LEU 12 Ca -0.01 0.37 0.08 0.00 -0.00 0.00 0.00 56.01 56.45 3knn n LEU 12 Cb 0.23 -0.18 0.18 0.00 -0.00 0.00 0.00 43.42 43.65 3knn n LEU 12 CO 0.21 -0.18 0.70 1.23 -0.00 0.00 0.00 177.39 179.35 3knn h GLY 13 N 0.00 0.84 0.00 -3.96 0.00 -1.85 -3.39 103.07 94.72 3knn h GLY 13 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.61 3knn h GLY 13 CO 0.00 -0.41 0.00 4.51 0.00 0.00 0.00 176.54 180.64 3knn n ILE 14 N -5.59 0.00 0.00 2.60 3.06 0.25 -4.96 119.36 114.73 3knn n ILE 14 Ca 0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 3knn n ILE 14 Cb 0.56 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.74 3knn n ILE 14 CO 0.00 0.00 0.00 0.41 -2.50 0.00 0.00 176.55 174.46 3knn n THR 15 N 0.00 0.00 -1.76 9.51 -1.04 -1.16 -4.13 114.28 115.70 3knn n THR 15 Ca 0.00 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.58 3knn n THR 15 Cb 0.00 0.00 -0.03 0.00 -1.82 0.00 0.00 70.33 68.48 3knn n THR 15 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 3knn s ARG 16 N 0.00 3.44 0.46 -2.82 6.06 -1.23 -4.95 118.95 119.92 3knn s ARG 16 Ca 0.00 1.97 -0.21 0.00 -2.50 0.00 0.00 55.73 54.99 3knn s ARG 16 Cb 0.00 -4.26 -0.09 0.00 0.06 0.00 0.00 34.95 30.66 3knn s ARG 16 CO 0.00 -1.74 1.01 -0.51 -2.50 0.00 0.00 175.30 171.56 3knn s ASP 17 N 6.63 6.55 0.41 -2.12 1.11 -1.26 -4.02 116.67 123.98 3knn s ASP 17 Ca 0.90 1.86 -0.23 0.00 0.18 0.00 0.00 52.55 55.27 3knn s ASP 17 Cb -0.32 -2.56 -0.12 0.00 1.07 0.00 0.00 42.92 41.00 3knn s ASP 17 CO 0.35 -0.64 0.67 0.79 1.18 0.00 0.00 175.17 177.53 3knn n TRP 18 N -0.81 -0.04 0.35 4.23 8.01 -1.26 -4.80 117.44 123.10 3knn n TRP 18 Ca 0.08 0.60 0.07 0.00 -1.31 0.00 0.00 57.50 56.94 3knn n TRP 18 Cb 0.53 -2.05 0.22 0.00 -2.01 0.00 0.00 31.31 27.99 3knn n TRP 18 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.69 174.77 3knn n GLU 19 N 0.47 2.42 -3.29 -0.99 2.13 -1.26 -4.70 120.64 115.42 3knn n GLU 19 Ca 0.11 -1.74 0.03 0.00 0.66 0.00 0.00 57.16 56.22 3knn n GLU 19 Cb 0.39 -1.52 -0.03 0.00 0.27 0.00 0.00 31.44 30.55 3knn n GLU 19 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3knn s SER 20 N -0.87 -0.44 -0.05 4.31 0.15 -1.26 -3.31 113.70 112.23 3knn s SER 20 Ca 0.32 0.52 -0.00 0.00 0.70 0.00 0.00 55.95 57.48 3knn s SER 20 Cb 0.19 1.47 0.03 0.00 -1.71 0.00 0.00 66.02 65.99 3knn s SER 20 CO 0.18 -0.08 0.00 0.00 1.20 0.00 0.00 173.24 174.54 3knn s ARG 21 N 2.47 0.42 0.00 5.44 1.70 -1.07 -5.02 118.95 122.89 3knn s ARG 21 Ca -0.01 0.11 0.00 0.00 -0.47 0.00 0.00 55.73 55.36 3knn s ARG 21 Cb -0.06 -0.70 0.00 0.00 -0.57 0.00 0.00 34.95 33.62 3knn s ARG 21 CO -0.16 -0.22 0.00 -2.67 -1.08 0.00 0.00 175.30 171.18 3knn n TRP 22 N 4.65 0.00 -3.27 5.89 4.27 -1.26 -3.12 117.44 124.60 3knn n TRP 22 Ca -0.16 0.00 -0.39 0.00 -3.89 0.00 0.00 57.50 53.07 3knn n TRP 22 Cb 0.50 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.39 3knn n TRP 22 CO 0.00 0.00 0.00 -0.47 -2.29 0.00 0.00 177.69 174.93 3knn s TYR 23 N -0.79 3.80 -0.01 -2.67 5.04 -1.26 -5.01 117.35 116.45 3knn s TYR 23 Ca 0.00 1.28 -0.05 0.00 -2.44 0.00 0.00 57.07 55.86 3knn s TYR 23 Cb 0.00 -2.50 0.00 0.00 0.35 0.00 0.00 41.96 39.81 3knn s TYR 23 CO 0.00 0.58 0.11 0.00 -1.34 0.00 0.00 175.55 174.90 3knn s ALA 24 N -1.13 -0.25 0.49 3.97 0.00 -1.26 -4.96 121.76 118.63 3knn s ALA 24 Ca 0.30 -0.07 -0.22 0.00 0.00 0.00 0.00 51.96 51.97 3knn s ALA 24 Cb -0.19 0.03 -0.07 0.00 0.00 0.00 0.00 23.12 22.89 3knn s ALA 24 CO 0.19 -0.16 1.17 0.20 0.00 0.00 0.00 175.76 177.17 3knn s GLY 25 N -0.98 2.75 0.17 0.00 0.00 -1.25 -4.85 107.32 103.16 3knn s GLY 25 Ca -0.11 0.95 -0.19 0.00 0.00 0.00 0.00 44.72 45.36 3knn s GLY 25 CO 0.01 1.38 1.62 0.07 0.00 0.00 0.00 173.10 176.18 3knn h LYS 26 N 1.75 -0.14 -1.24 2.90 2.10 -2.01 0.14 116.57 120.08 3knn h LYS 26 Ca -0.50 0.01 0.36 0.00 -2.00 0.00 0.00 60.65 58.52 3knn h LYS 26 Cb 1.26 0.03 -0.05 0.00 -0.90 0.00 0.00 32.23 32.57 3knn h LYS 26 CO 0.59 -0.09 1.03 -0.22 -2.00 0.00 0.00 179.45 178.76 3knn h LYS 27 N -0.15 0.00 -2.25 0.07 3.64 -2.07 -3.13 116.57 112.68 3knn h LYS 27 Ca 0.20 0.00 -0.49 0.00 -1.27 0.00 0.00 60.65 59.10 3knn h LYS 27 Cb 0.46 0.00 -0.35 0.00 -0.41 0.00 0.00 32.23 31.93 3knn h LYS 27 CO -0.51 0.00 -0.80 -0.65 -2.27 0.00 0.00 179.45 175.22 3knn s GLN 28 N -4.75 0.66 0.00 1.90 -0.21 0.48 -4.83 119.66 112.91 3knn s GLN 28 Ca -0.04 -1.27 0.00 0.00 0.02 0.00 0.00 55.36 54.07 3knn s GLN 28 Cb 0.21 -1.05 0.00 0.00 1.00 0.00 0.00 33.01 33.17 3knn s GLN 28 CO 0.71 -1.24 0.00 0.98 -2.12 0.00 0.00 175.29 173.62 3knn n TYR 29 N 3.89 0.00 -0.16 0.91 9.36 -1.16 -3.84 117.16 126.16 3knn n TYR 29 Ca 0.15 0.00 0.28 0.00 3.32 0.00 0.00 57.90 61.65 3knn n TYR 29 Cb 0.42 0.18 0.72 0.00 -0.63 0.00 0.00 39.34 40.04 3knn n TYR 29 CO 0.00 0.00 0.00 -0.09 0.22 0.00 0.00 176.86 176.99 3knn h ARG 30 N 0.00 0.00 0.14 2.98 9.65 -1.88 0.48 114.38 125.75 3knn h ARG 30 Ca 0.00 0.00 -0.32 0.00 -1.10 0.00 0.00 59.98 58.56 3knn h ARG 30 Cb 0.16 0.00 -0.00 0.00 -1.39 0.00 0.00 29.97 28.74 3knn h ARG 30 CO 0.00 0.00 -1.64 0.45 2.80 0.00 0.00 179.97 181.58 3knn h HIS 31 N 0.00 0.53 0.00 2.20 -0.00 -1.92 -3.19 115.15 112.78 3knn h HIS 31 Ca 0.41 -0.39 -0.20 0.00 -0.00 0.00 0.00 60.37 60.19 3knn h HIS 31 Cb 1.66 -0.02 -0.03 0.00 -0.00 0.00 0.00 27.41 29.02 3knn h HIS 31 CO 0.00 1.64 -0.97 -0.07 -0.00 0.00 0.00 177.93 178.53 3knn h LEU 32 N -0.11 0.00 -0.76 2.43 3.38 -1.60 -0.42 115.31 118.23 3knn h LEU 32 Ca -0.35 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.50 3knn h LEU 32 Cb 1.92 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.65 3knn h LEU 32 CO 0.10 0.97 -0.50 0.25 0.09 0.00 0.00 178.44 179.35 3knn h LEU 33 N 0.00 0.33 -0.20 1.67 5.85 -0.25 0.62 115.31 123.33 3knn h LEU 33 Ca -0.01 -0.16 -0.22 0.00 0.84 0.00 0.00 57.88 58.33 3knn h LEU 33 Cb 1.74 -0.09 0.01 0.00 0.37 0.00 0.00 40.66 42.68 3knn h LEU 33 CO 0.13 0.77 -0.81 0.25 -0.34 0.00 0.00 178.44 178.45 3knn h LEU 34 N 0.24 0.81 0.66 2.25 6.46 -1.52 -2.78 115.31 121.43 3knn h LEU 34 Ca 0.01 -0.55 -0.03 0.00 -0.12 0.00 0.00 57.88 57.19 3knn h LEU 34 Cb 0.97 -0.24 0.01 0.00 -0.73 0.00 0.00 40.66 40.66 3knn h LEU 34 CO 0.08 1.33 -0.32 -0.08 -0.62 0.00 0.00 178.44 178.84 3knn h GLU 35 N 0.45 -0.85 0.00 1.25 4.81 -0.81 -2.04 114.58 117.38 3knn h GLU 35 Ca -0.06 0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3knn h GLU 35 Cb 1.42 0.19 0.00 0.00 0.63 0.00 0.00 28.75 31.00 3knn h GLU 35 CO 0.16 -0.55 0.83 0.22 -0.73 0.00 0.00 179.01 178.94 3knn h ASP 36 N -1.20 0.00 0.00 1.04 -0.00 0.20 -1.07 116.42 115.40 3knn h ASP 36 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.94 3knn h ASP 36 Cb 0.70 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.03 3knn h ASP 36 CO 0.15 0.00 -0.75 0.00 -0.00 0.00 0.00 179.24 178.64 3knn n GLN 37 N -2.40 0.46 0.28 0.28 1.13 -1.03 -4.07 117.38 112.03 3knn n GLN 37 Ca -0.00 0.31 0.13 0.00 -1.94 0.00 0.00 57.00 55.49 3knn n GLN 37 Cb 0.84 -1.45 0.69 0.00 0.11 0.00 0.00 30.24 30.43 3knn n GLN 37 CO 0.00 0.00 0.00 0.07 -1.44 0.00 0.00 177.06 175.69 3knn h ARG 38 N -0.92 0.00 -0.11 -1.09 0.11 -0.62 1.56 114.38 113.31 3knn h ARG 38 Ca 0.00 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.07 3knn h ARG 38 Cb 0.75 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.83 3knn h ARG 38 CO 0.00 0.00 0.02 0.82 0.10 0.00 0.00 179.97 180.91 3knn h ILE 39 N 0.00 1.22 0.00 0.08 2.04 -1.42 0.13 117.51 119.56 3knn h ILE 39 Ca 0.00 -0.68 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3knn h ILE 39 Cb 0.60 1.46 0.00 0.00 -0.74 0.00 0.00 36.82 38.14 3knn h ILE 39 CO 0.00 0.19 0.00 0.54 0.00 0.00 0.00 178.15 178.88 3knn n ARG 40 N -4.85 0.05 0.00 2.37 1.74 0.52 -2.59 116.66 113.91 3knn n ARG 40 Ca -0.06 0.29 0.00 0.00 -0.77 0.00 0.00 57.85 57.31 3knn n ARG 40 Cb 0.17 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.11 3knn n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knn n GLY 41 N -0.51 -2.69 0.17 -0.13 0.00 0.46 -2.73 105.19 99.76 3knn n GLY 41 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.99 3knn n GLY 41 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3knn h LEU 42 N 0.00 -0.39 -0.99 0.99 4.07 -1.52 -2.68 115.31 114.79 3knn h LEU 42 Ca 0.00 0.11 0.35 0.00 0.08 0.00 0.00 57.88 58.42 3knn h LEU 42 Cb 0.00 0.24 -0.16 0.00 1.08 0.00 0.00 40.66 41.81 3knn h LEU 42 CO 0.00 -0.14 0.49 -0.07 -1.08 0.00 0.00 178.44 177.63 3knn h LEU 43 N -0.05 0.31 0.00 1.67 3.38 -1.63 0.89 115.31 119.89 3knn h LEU 43 Ca 0.16 0.23 -0.06 0.00 0.09 0.00 0.00 57.88 58.30 3knn h LEU 43 Cb 0.29 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3knn h LEU 43 CO -0.35 -0.28 -0.46 -0.33 0.09 0.00 0.00 178.44 177.11 3knn h GLU 44 N 0.16 0.00 0.70 1.13 5.08 -1.28 -2.97 114.58 117.39 3knn h GLU 44 Ca 0.76 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 59.08 3knn h GLU 44 Cb 1.83 0.00 0.01 0.00 0.50 0.00 0.00 28.75 31.09 3knn h GLU 44 CO -0.70 0.22 -0.34 0.87 -1.00 0.00 0.00 179.01 178.07 3knn h LYS 45 N 0.00 -0.90 -0.76 2.33 1.57 0.98 -3.15 116.57 116.63 3knn h LYS 45 Ca -0.02 0.06 -0.41 0.00 -1.87 0.00 0.00 60.65 58.41 3knn h LYS 45 Cb 1.21 0.21 -0.24 0.00 0.08 0.00 0.00 32.23 33.48 3knn h LYS 45 CO 0.03 -0.57 0.37 0.39 -0.57 0.00 0.00 179.45 179.10 3knn n GLU 46 N -5.44 2.16 0.00 3.15 1.02 -0.94 -4.20 120.64 116.40 3knn n GLU 46 Ca -0.13 -3.13 0.00 0.00 -0.02 0.00 0.00 57.16 53.88 3knn n GLU 46 Cb 0.39 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.75 3knn n GLU 46 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3knn n LEU 47 N -1.12 0.00 -0.22 -4.62 4.32 -1.12 -4.71 117.00 109.53 3knn n LEU 47 Ca 0.50 -0.20 0.16 0.00 -0.02 0.00 0.00 56.01 56.46 3knn n LEU 47 Cb 1.36 0.00 0.48 0.00 -1.62 0.00 0.00 43.42 43.64 3knn n LEU 47 CO 0.47 0.00 1.22 0.22 -1.22 0.00 0.00 177.39 178.07 3knn h TYR 48 N 0.00 0.57 0.00 -1.77 3.20 -1.71 0.84 116.97 118.10 3knn h TYR 48 Ca 0.00 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.89 3knn h TYR 48 Cb 0.00 -0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.09 3knn h TYR 48 CO 0.00 0.19 -0.01 0.77 -1.64 0.00 0.00 178.16 177.47 3knn h SER 49 N 0.47 0.00 0.18 -2.11 0.02 -1.86 -1.87 113.55 108.37 3knn h SER 49 Ca 0.42 0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 61.19 3knn h SER 49 Cb 0.95 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.45 3knn h SER 49 CO -0.16 0.01 -2.00 0.00 -1.14 0.00 0.00 176.83 173.54 3knn n ALA 50 N -2.10 2.10 -0.94 3.77 0.00 0.28 -5.02 120.51 118.59 3knn n ALA 50 Ca -0.02 -0.84 0.00 0.00 0.00 0.00 0.00 53.44 52.58 3knn n ALA 50 Cb 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3knn n ALA 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knn n GLY 51 N 1.48 0.60 3.39 0.00 0.00 -0.55 -3.98 105.19 106.13 3knn n GLY 51 Ca -0.17 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.52 3knn n GLY 51 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 3knn n LEU 52 N -0.39 0.06 -1.53 0.99 -0.00 -1.24 -4.68 117.00 110.21 3knn n LEU 52 Ca 0.00 -1.78 0.00 0.00 -0.00 0.00 0.00 56.01 54.23 3knn n LEU 52 Cb 0.22 -1.24 0.00 0.00 -0.00 0.00 0.00 43.42 42.40 3knn n LEU 52 CO 0.00 -2.63 0.68 0.00 -0.00 0.00 0.00 177.39 175.43 3knn n ALA 53 N 13.44 3.16 0.00 1.47 0.00 -1.11 -4.72 120.51 132.75 3knn n ALA 53 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.76 3knn n ALA 53 Cb 0.44 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 18.66 3knn n ALA 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3knn n ARG 54 N 1.47 0.00 -2.63 0.00 0.63 -1.26 -4.93 116.66 109.93 3knn n ARG 54 Ca 0.00 0.00 -0.02 0.00 -0.92 0.00 0.00 57.85 56.91 3knn n ARG 54 Cb 0.37 0.00 0.11 0.00 0.45 0.00 0.00 32.46 33.38 3knn n ARG 54 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 3knn n VAL 55 N -1.30 0.26 -1.16 5.15 0.31 -1.26 -3.67 118.33 116.66 3knn n VAL 55 Ca 0.00 -1.36 -0.40 0.00 -0.01 0.00 0.00 64.34 62.57 3knn n VAL 55 Cb 0.00 1.05 -0.02 0.00 -0.91 0.00 0.00 33.84 33.95 3knn n VAL 55 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3knn n ASP 56 N -1.28 -1.08 -3.53 4.52 -0.08 -1.25 -4.66 116.55 109.19 3knn n ASP 56 Ca -0.13 0.93 -0.15 0.00 -1.51 0.00 0.00 54.79 53.93 3knn n ASP 56 Cb 0.86 -0.79 -0.12 0.00 2.34 0.00 0.00 41.12 43.41 3knn n ASP 56 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 3knn s ILE 57 N -0.85 -0.39 0.23 5.18 1.01 -1.21 -1.90 121.20 123.27 3knn s ILE 57 Ca 0.53 0.02 0.07 0.00 0.00 0.00 0.00 60.65 61.27 3knn s ILE 57 Cb -0.76 -0.62 -0.04 0.00 0.01 0.00 0.00 42.46 41.05 3knn s ILE 57 CO 0.47 -0.09 0.15 -1.61 0.00 0.00 0.00 174.94 173.86 3knn s GLU 58 N 2.39 2.81 0.25 2.79 2.02 -1.26 -2.61 118.70 125.09 3knn s GLU 58 Ca 0.06 -1.06 -0.18 0.00 0.02 0.00 0.00 54.97 53.81 3knn s GLU 58 Cb -0.14 -2.52 0.01 0.00 0.10 0.00 0.00 34.13 31.58 3knn s GLU 58 CO -0.11 0.42 0.61 1.03 0.02 0.00 0.00 175.26 177.23 3knn s ARG 59 N -3.62 1.64 0.00 1.61 0.52 -1.18 -1.39 118.95 116.53 3knn s ARG 59 Ca 0.32 -1.04 0.00 0.00 -0.52 0.00 0.00 55.73 54.49 3knn s ARG 59 Cb -0.08 0.55 0.00 0.00 0.52 0.00 0.00 34.95 35.94 3knn s ARG 59 CO 0.24 -0.73 0.00 0.00 0.02 0.00 0.00 175.30 174.83 3knn n ALA 60 N -0.42 0.00 -2.64 2.13 0.00 -1.26 -4.72 120.51 113.60 3knn n ALA 60 Ca -0.04 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.96 3knn n ALA 60 Cb 0.61 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.00 3knn n ALA 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knn s ALA 61 N -1.16 3.26 -1.03 0.00 0.00 -1.26 -4.59 121.76 116.98 3knn s ALA 61 Ca 0.00 -1.31 -0.18 0.00 0.00 0.00 0.00 51.96 50.47 3knn s ALA 61 Cb 0.00 -3.54 0.02 0.00 0.00 0.00 0.00 23.12 19.60 3knn s ALA 61 CO 0.00 -2.13 0.65 -0.25 0.00 0.00 0.00 175.76 174.02 3knn n ASP 62 N 6.86 -4.51 -3.54 0.00 9.92 -1.26 -5.00 116.55 119.03 3knn n ASP 62 Ca -0.01 -1.14 -0.17 0.00 -0.53 0.00 0.00 54.79 52.94 3knn n ASP 62 Cb 0.47 -1.70 -0.06 0.00 -0.64 0.00 0.00 41.12 39.19 3knn n ASP 62 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3knn s ASN 63 N -3.27 -0.67 -0.13 -2.24 4.22 -1.26 -4.18 114.94 107.40 3knn s ASN 63 Ca 0.26 0.82 0.02 0.00 -2.14 0.00 0.00 52.86 51.82 3knn s ASN 63 Cb -0.14 0.68 -0.00 0.00 1.28 0.00 0.00 41.25 43.06 3knn s ASN 63 CO 0.94 -0.55 -0.19 0.68 -2.04 0.00 0.00 177.10 175.93 3knn s VAL 64 N -0.95 2.39 -0.26 3.54 -7.23 -1.21 -4.34 120.40 112.34 3knn s VAL 64 Ca -0.09 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.20 3knn s VAL 64 Cb -0.01 -1.97 0.28 0.00 0.56 0.00 0.00 36.38 35.24 3knn s VAL 64 CO 0.08 0.54 1.66 0.00 -0.31 0.00 0.00 175.10 177.08 3knn n ALA 65 N 3.83 4.43 -1.51 1.32 0.00 -0.49 -3.25 120.51 124.84 3knn n ALA 65 Ca -0.19 -1.49 -0.29 0.00 0.00 0.00 0.00 53.44 51.46 3knn n ALA 65 Cb 0.52 -1.28 -0.18 0.00 0.00 0.00 0.00 19.45 18.52 3knn n ALA 65 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knn n VAL 66 N -0.04 -0.01 -3.57 0.00 0.31 -1.26 -4.28 118.33 109.49 3knn n VAL 66 Ca 0.29 -0.33 -0.28 0.00 -0.01 0.00 0.00 64.34 64.01 3knn n VAL 66 Cb 0.87 -0.51 -0.09 0.00 -0.91 0.00 0.00 33.84 33.20 3knn n VAL 66 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3knn n THR 67 N 6.67 2.29 -1.65 2.52 -1.04 -0.80 0.78 114.28 123.06 3knn n THR 67 Ca 0.64 -5.14 -0.44 0.00 -2.04 0.00 0.00 64.05 57.06 3knn n THR 67 Cb 0.15 -2.14 -0.04 0.00 -1.82 0.00 0.00 70.33 66.48 3knn n THR 67 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3knn n VAL 68 N 1.27 0.62 -3.31 12.58 0.31 -1.23 -3.87 118.33 124.70 3knn n VAL 68 Ca 0.26 -0.19 -0.38 0.00 -0.01 0.00 0.00 64.34 64.02 3knn n VAL 68 Cb 0.39 -2.21 -0.06 0.00 -0.91 0.00 0.00 33.84 31.05 3knn n VAL 68 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 3knn s HIS 69 N 5.17 3.66 0.23 3.52 3.76 -1.24 -2.55 115.29 127.84 3knn s HIS 69 Ca 0.93 1.07 -0.14 0.00 -0.15 0.00 0.00 55.06 56.77 3knn s HIS 69 Cb -0.51 -2.51 0.00 0.00 1.11 0.00 0.00 32.58 30.68 3knn s HIS 69 CO 0.44 0.39 0.48 0.08 -0.85 0.00 0.00 174.74 175.29 3knn s VAL 70 N -0.27 0.02 -0.18 -0.90 1.01 -0.72 -2.76 120.40 116.61 3knn s VAL 70 Ca 0.28 -1.22 0.10 0.00 0.00 0.00 0.00 61.98 61.13 3knn s VAL 70 Cb -0.17 -1.99 -0.14 0.00 0.00 0.00 0.00 36.38 34.08 3knn s VAL 70 CO 0.15 -0.07 0.29 0.00 0.00 0.00 0.00 175.10 175.47 3knn n ALA 71 N -0.36 2.71 -3.06 5.51 0.00 -1.26 0.20 120.51 124.26 3knn n ALA 71 Ca -0.05 -0.25 -0.28 0.00 0.00 0.00 0.00 53.44 52.86 3knn n ALA 71 Cb 0.62 -0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.67 3knn n ALA 71 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3knn n LYS 72 N -1.63 3.17 -0.03 0.00 4.81 -1.26 -4.56 118.16 118.67 3knn n LYS 72 Ca -0.01 -4.80 -0.08 0.00 -0.87 0.00 0.00 58.31 52.55 3knn n LYS 72 Cb 0.22 -2.26 -0.02 0.00 0.02 0.00 0.00 35.03 32.99 3knn n LYS 72 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 3knn h PRO 73 N 3.40 -0.12 -0.50 1.64 0.13 -1.87 -3.22 132.00 131.46 3knn h PRO 73 Ca 0.17 0.01 0.18 0.00 -0.87 0.00 0.00 66.00 65.49 3knn h PRO 73 Cb 0.54 0.03 -0.09 0.00 0.13 0.00 0.00 31.00 31.61 3knn h PRO 73 CO 0.85 -0.08 0.17 0.41 -0.23 0.00 0.00 178.00 179.12 3knn n GLY 74 N -1.29 -0.49 0.36 1.56 0.00 -1.26 -0.18 105.19 103.89 3knn n GLY 74 Ca -0.02 0.43 0.10 0.00 0.00 0.00 0.00 46.02 46.53 3knn n GLY 74 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3knn h VAL 75 N 0.00 0.94 0.17 1.61 2.07 -1.95 -2.53 116.25 116.55 3knn h VAL 75 Ca 0.38 -0.20 -0.32 0.00 0.82 0.00 0.00 66.70 67.37 3knn h VAL 75 Cb 0.93 0.30 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3knn h VAL 75 CO -0.41 0.11 -1.57 -0.37 0.02 0.00 0.00 177.57 175.35 3knn h VAL 76 N 0.59 1.14 -0.97 2.57 -1.51 -0.81 -3.36 116.25 113.89 3knn h VAL 76 Ca 0.32 -2.71 0.04 0.00 -1.23 0.00 0.00 66.70 63.12 3knn h VAL 76 Cb 0.45 2.84 -0.06 0.00 -2.13 0.00 0.00 31.29 32.39 3knn h VAL 76 CO -0.11 0.84 0.63 0.40 -1.23 0.00 0.00 177.57 178.10 3knn h ILE 77 N 0.10 1.14 0.00 7.19 2.04 -1.41 -0.87 117.51 125.69 3knn h ILE 77 Ca -0.27 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.18 3knn h ILE 77 Cb 2.07 -0.16 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 3knn h ILE 77 CO 0.19 0.22 0.00 0.61 0.00 0.00 0.00 178.15 179.17 3knn n GLY 78 N -1.36 -2.16 3.44 5.37 0.00 -1.00 -1.64 105.19 107.84 3knn n GLY 78 Ca 0.13 -1.24 -0.51 0.00 0.00 0.00 0.00 46.02 44.40 3knn n GLY 78 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3knn n ARG 79 N -0.56 0.12 0.00 1.61 1.85 -1.26 -2.40 116.66 116.02 3knn n ARG 79 Ca 0.00 0.04 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 3knn n ARG 79 Cb 0.00 -1.22 0.00 0.00 -1.05 0.00 0.00 32.46 30.19 3knn n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3knn n GLY 80 N 1.84 0.51 0.00 2.89 0.00 -1.26 -3.18 105.19 105.99 3knn n GLY 80 Ca 0.18 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.19 3knn n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knn n GLY 81 N 0.00 -1.80 0.00 -0.02 0.00 -1.01 -5.14 105.19 97.22 3knn n GLY 81 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 46.02 46.64 3knn n GLY 81 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knn n GLU 82 N 0.00 0.00 0.00 1.61 1.02 -0.73 -4.87 120.64 117.67 3knn n GLU 82 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 3knn n GLU 82 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 3knn n GLU 82 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 3knn n ARG 83 N 0.00 0.00 0.11 3.49 3.00 -1.03 0.32 116.66 122.55 3knn n ARG 83 Ca 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.88 3knn n ARG 83 Cb 0.00 0.00 0.16 0.00 0.00 0.00 0.00 32.46 32.62 3knn n ARG 83 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.63 179.14 3knn n ILE 84 N -2.75 0.56 -0.11 5.15 3.06 -0.33 -1.62 119.36 123.31 3knn n ILE 84 Ca 0.00 0.66 -0.19 0.00 -2.50 0.00 0.00 62.75 60.72 3knn n ILE 84 Cb 0.00 -1.66 -0.06 0.00 0.54 0.00 0.00 39.64 38.46 3knn n ILE 84 CO 0.00 0.00 0.00 -1.14 -2.50 0.00 0.00 176.55 172.91 3knn n ARG 85 N -1.69 0.53 0.15 9.51 3.00 0.98 -3.44 116.66 125.70 3knn n ARG 85 Ca -0.00 0.22 0.07 0.00 -0.00 0.00 0.00 57.85 58.14 3knn n ARG 85 Cb 0.40 -1.41 0.36 0.00 0.00 0.00 0.00 32.46 31.80 3knn n ARG 85 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 3knn n VAL 86 N -4.29 0.71 -0.10 5.15 0.24 -0.64 0.80 118.33 120.20 3knn n VAL 86 Ca -0.34 0.72 -0.15 0.00 -2.04 0.00 0.00 64.34 62.54 3knn n VAL 86 Cb 0.69 -1.72 -0.14 0.00 -1.47 0.00 0.00 33.84 31.20 3knn n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 3knn n LEU 87 N -2.02 1.70 0.30 1.34 4.77 -1.02 -2.84 117.00 119.22 3knn n LEU 87 Ca -0.01 -0.01 0.18 0.00 -0.03 0.00 0.00 56.01 56.15 3knn n LEU 87 Cb 0.28 -0.33 1.00 0.00 -2.33 0.00 0.00 43.42 42.03 3knn n LEU 87 CO 0.06 0.73 1.15 0.03 -1.33 0.00 0.00 177.39 178.03 3knn h ARG 88 N 0.01 0.00 0.19 3.23 3.08 0.37 0.11 114.38 121.37 3knn h ARG 88 Ca -0.53 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 3knn h ARG 88 Cb 2.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.10 3knn h ARG 88 CO -0.01 0.00 -0.09 1.49 -1.07 0.00 0.00 179.97 180.29 3knn h GLU 89 N 0.00 -0.24 -0.69 0.04 4.57 -0.83 -3.13 114.58 114.30 3knn h GLU 89 Ca 0.02 0.02 0.14 0.00 -1.18 0.00 0.00 59.36 58.35 3knn h GLU 89 Cb 0.15 0.05 -0.04 0.00 -0.16 0.00 0.00 28.75 28.75 3knn h GLU 89 CO -0.00 0.14 0.46 0.93 -1.18 0.00 0.00 179.01 179.36 3knn h GLU 90 N -0.92 0.35 0.67 1.92 4.39 -0.69 0.62 114.58 120.92 3knn h GLU 90 Ca -0.03 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3knn h GLU 90 Cb 0.49 -0.08 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 3knn h GLU 90 CO 0.04 0.23 -0.32 -0.07 -1.16 0.00 0.00 179.01 177.73 3knn h LEU 91 N 0.36 -0.76 -2.11 1.33 3.38 -1.21 -2.82 115.31 113.48 3knn h LEU 91 Ca 0.33 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.41 3knn h LEU 91 Cb 0.80 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 3knn h LEU 91 CO -0.09 -0.43 0.29 0.00 0.09 0.00 0.00 178.44 178.30 3knn h ALA 92 N -1.36 2.00 -1.43 1.53 0.00 -1.35 -2.82 119.26 115.84 3knn h ALA 92 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3knn h ALA 92 Cb 0.69 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3knn h ALA 92 CO 0.15 -0.44 0.00 1.17 0.00 0.00 0.00 179.25 180.13 3knn n LYS 93 N -3.88 0.00 -1.23 0.00 4.81 0.21 -2.51 118.16 115.56 3knn n LYS 93 Ca 0.04 0.63 -0.30 0.00 -0.87 0.00 0.00 58.31 57.81 3knn n LYS 93 Cb 0.44 -1.26 0.08 0.00 0.02 0.00 0.00 35.03 34.31 3knn n LYS 93 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 3knn n LEU 94 N -1.85 7.36 -3.05 3.14 -0.00 -1.14 -4.54 117.00 116.92 3knn n LEU 94 Ca 0.00 -4.02 -0.19 0.00 -0.00 0.00 0.00 56.01 51.80 3knn n LEU 94 Cb 0.00 -0.98 -0.03 0.00 -0.00 0.00 0.00 43.42 42.41 3knn n LEU 94 CO 0.00 1.38 -0.14 0.41 -0.00 0.00 0.00 177.39 179.04 3knn n THR 95 N -0.70 -0.47 -1.33 1.47 -1.04 -1.05 -5.04 114.28 106.12 3knn n THR 95 Ca 0.56 -3.23 -0.09 0.00 -2.04 0.00 0.00 64.05 59.26 3knn n THR 95 Cb 0.74 -0.84 -0.07 0.00 -1.82 0.00 0.00 70.33 68.33 3knn n THR 95 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3knn n GLY 96 N 1.45 -0.26 3.60 3.41 0.00 -1.26 -4.57 105.19 107.57 3knn n GLY 96 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.25 3knn n GLY 96 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3knn s LYS 97 N 7.00 0.10 -0.82 1.61 2.20 -1.26 -5.10 119.74 123.47 3knn s LYS 97 Ca 0.53 -0.05 -0.25 0.00 -0.36 0.00 0.00 55.97 55.83 3knn s LYS 97 Cb -0.10 0.04 -0.10 0.00 -1.51 0.00 0.00 37.83 36.16 3knn s LYS 97 CO 0.13 -0.05 2.24 1.21 -0.36 0.00 0.00 175.35 178.53 3knn s ASN 98 N -2.50 4.34 -0.97 1.43 3.84 -1.26 -4.80 114.94 115.01 3knn s ASN 98 Ca 0.13 -0.17 -0.18 0.00 0.21 0.00 0.00 52.86 52.85 3knn s ASN 98 Cb 0.03 -2.55 0.14 0.00 -0.55 0.00 0.00 41.25 38.32 3knn s ASN 98 CO -0.04 -3.46 1.17 0.68 -2.79 0.00 0.00 177.10 172.66 3knn s VAL 99 N 13.08 4.81 0.90 -5.21 -7.23 -1.26 -3.30 120.40 122.19 3knn s VAL 99 Ca 0.85 -1.79 -0.15 0.00 -1.81 0.00 0.00 61.98 59.08 3knn s VAL 99 Cb -0.11 -4.79 0.23 0.00 0.56 0.00 0.00 36.38 32.27 3knn s VAL 99 CO 0.05 -1.51 0.76 0.00 -0.31 0.00 0.00 175.10 174.10 3knn n ALA 100 N 6.31 -2.62 -3.41 1.32 0.00 -1.20 -4.81 120.51 116.10 3knn n ALA 100 Ca 0.26 -1.16 0.03 0.00 0.00 0.00 0.00 53.44 52.57 3knn n ALA 100 Cb 0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 19.45 19.80 3knn n ALA 100 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3knn s LEU 101 N 0.00 -0.04 0.00 0.00 0.20 -1.26 -4.44 118.68 113.13 3knn s LEU 101 Ca 0.50 0.06 0.00 0.00 0.69 0.00 0.00 54.13 55.39 3knn s LEU 101 Cb -0.05 1.06 -0.00 0.00 -0.43 0.00 0.00 46.19 46.76 3knn s LEU 101 CO 0.39 -0.01 0.00 0.59 -0.29 0.00 0.00 176.35 177.03 3knn n ASN 102 N 3.80 2.81 -2.75 3.68 4.13 0.23 -4.99 115.26 122.18 3knn n ASN 102 Ca -0.12 -2.33 -0.07 0.00 1.68 0.00 0.00 54.58 53.75 3knn n ASN 102 Cb 0.56 0.22 0.04 0.00 -1.54 0.00 0.00 39.78 39.06 3knn n ASN 102 CO 0.00 0.00 0.00 0.52 0.28 0.00 0.00 177.26 178.06 3knn n VAL 103 N -0.75 0.00 -0.72 2.41 0.31 -1.26 -3.52 118.33 114.80 3knn n VAL 103 Ca -0.12 -1.35 -0.28 0.00 -0.01 0.00 0.00 64.34 62.58 3knn n VAL 103 Cb 0.38 1.37 0.23 0.00 -0.91 0.00 0.00 33.84 34.91 3knn n VAL 103 CO 0.00 0.00 0.00 -1.10 -1.32 0.00 0.00 176.83 174.41 3knn s GLN 104 N 0.71 -0.52 0.29 5.55 -1.52 -1.06 -4.85 119.66 118.27 3knn s GLN 104 Ca 0.31 0.77 0.11 0.00 -1.95 0.00 0.00 55.36 54.60 3knn s GLN 104 Cb 0.18 -1.61 -0.05 0.00 -0.22 0.00 0.00 33.01 31.31 3knn s GLN 104 CO -0.20 -3.44 -0.14 -2.00 -0.25 0.00 0.00 175.29 169.26 3knn s GLU 105 N -4.60 1.81 -0.20 2.91 2.12 -1.22 -1.75 118.70 117.78 3knn s GLU 105 Ca 0.68 -1.75 -0.06 0.00 0.36 0.00 0.00 54.97 54.20 3knn s GLU 105 Cb -0.23 -1.82 -0.03 0.00 0.26 0.00 0.00 34.13 32.31 3knn s GLU 105 CO 0.62 0.29 0.02 0.08 -0.54 0.00 0.00 175.26 175.74 3knn s VAL 106 N -2.50 4.23 -0.90 3.70 1.01 0.54 -4.74 120.40 121.73 3knn s VAL 106 Ca 0.31 -0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 3knn s VAL 106 Cb -0.04 -2.91 0.24 0.00 0.00 0.00 0.00 36.38 33.68 3knn s VAL 106 CO 0.16 0.43 2.18 0.00 0.00 0.00 0.00 175.10 177.87 3knn n GLN 107 N 4.04 3.80 0.00 2.72 3.00 -1.26 -4.57 117.38 125.11 3knn n GLN 107 Ca -0.17 -3.62 0.00 0.00 -0.01 0.00 0.00 57.00 53.20 3knn n GLN 107 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 30.24 28.39 3knn n GLN 107 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3knn n ASN 108 N 0.26 0.00 -0.45 1.08 2.85 -1.26 -4.96 115.26 112.78 3knn n ASN 108 Ca 0.52 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.99 3knn n ASN 108 Cb 0.31 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.33 3knn n ASN 108 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3knn n PRO 109 N 0.00 0.43 -0.00 1.20 -0.02 -1.26 -1.30 135.00 134.05 3knn n PRO 109 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3knn n PRO 109 Cb 0.00 -1.19 -0.00 0.00 -0.02 0.00 0.00 33.50 32.28 3knn n PRO 109 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3knn n ASN 110 N 0.21 4.92 -0.51 2.55 3.02 -1.26 -3.87 115.26 120.32 3knn n ASN 110 Ca 0.00 0.00 0.13 0.00 -0.03 0.00 0.00 54.58 54.68 3knn n ASN 110 Cb 0.10 0.91 0.49 0.00 -0.61 0.00 0.00 39.78 40.66 3knn n ASN 110 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3knn n LEU 111 N -1.62 1.57 -4.16 3.41 7.99 -0.42 -4.56 117.00 119.21 3knn n LEU 111 Ca -0.00 -0.55 -0.38 0.00 -0.01 0.00 0.00 56.01 55.07 3knn n LEU 111 Cb 0.12 -0.02 -0.10 0.00 -0.11 0.00 0.00 43.42 43.31 3knn n LEU 111 CO 0.01 0.27 -0.07 -0.55 -1.51 0.00 0.00 177.39 175.54 3knn s SER 112 N -1.94 5.47 0.14 -1.43 0.15 -1.21 -4.83 113.70 110.05 3knn s SER 112 Ca 0.37 -2.10 -0.30 0.00 0.70 0.00 0.00 55.95 54.62 3knn s SER 112 Cb 0.20 -1.91 -0.05 0.00 -1.71 0.00 0.00 66.02 62.55 3knn s SER 112 CO 0.32 -0.59 1.57 0.00 1.20 0.00 0.00 173.24 175.75 3knn h ALA 113 N 8.08 -0.61 -1.12 5.45 0.00 -1.80 0.98 119.26 130.24 3knn h ALA 113 Ca -0.14 0.02 0.43 0.00 0.00 0.00 0.00 54.91 55.22 3knn h ALA 113 Cb 1.05 0.94 -0.16 0.00 0.00 0.00 0.00 17.79 19.61 3knn h ALA 113 CO 0.77 -0.95 0.66 -2.30 0.00 0.00 0.00 179.25 177.42 3knn n PRO 114 N -5.42 -0.05 0.19 0.00 -0.02 -1.26 0.36 135.00 128.81 3knn n PRO 114 Ca -0.03 1.30 -0.08 0.00 -2.02 0.00 0.00 63.50 62.67 3knn n PRO 114 Cb 0.36 -2.42 -0.04 0.00 -0.02 0.00 0.00 33.50 31.38 3knn n PRO 114 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3knn h LEU 115 N 0.00 -0.46 -1.39 2.45 3.38 -1.13 -0.72 115.31 117.44 3knn h LEU 115 Ca 0.84 0.02 0.31 0.00 0.09 0.00 0.00 57.88 59.14 3knn h LEU 115 Cb 2.42 0.12 -0.10 0.00 0.09 0.00 0.00 40.66 43.19 3knn h LEU 115 CO -0.64 -0.10 0.72 0.58 0.09 0.00 0.00 178.44 179.09 3knn h VAL 116 N -0.98 0.41 0.13 1.22 2.07 0.18 0.64 116.25 119.93 3knn h VAL 116 Ca -0.05 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.36 3knn h VAL 116 Cb 0.41 0.09 0.00 0.00 -1.52 0.00 0.00 31.29 30.27 3knn h VAL 116 CO 0.09 0.05 -0.06 0.00 0.02 0.00 0.00 177.57 177.67 3knn h ALA 117 N 1.61 -0.56 -1.00 1.67 0.00 -0.07 -3.14 119.26 117.76 3knn h ALA 117 Ca 0.65 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.74 3knn h ALA 117 Cb 1.80 0.07 -0.12 0.00 0.00 0.00 0.00 17.79 19.55 3knn h ALA 117 CO -0.32 -0.55 0.60 1.96 0.00 0.00 0.00 179.25 180.94 3knn h GLN 118 N -0.30 0.65 -0.98 0.00 4.20 -0.73 0.45 115.11 118.40 3knn h GLN 118 Ca -0.02 -0.04 0.25 0.00 0.06 0.00 0.00 58.65 58.90 3knn h GLN 118 Cb 0.13 -0.15 -0.07 0.00 0.30 0.00 0.00 27.48 27.70 3knn h GLN 118 CO 0.03 0.43 0.65 -0.09 -0.67 0.00 0.00 178.83 179.19 3knn h ARG 119 N 0.67 0.31 0.07 1.46 2.43 -0.95 0.28 114.38 118.65 3knn h ARG 119 Ca 0.61 -0.02 -0.17 0.00 -0.81 0.00 0.00 59.98 59.59 3knn h ARG 119 Cb 1.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 30.54 3knn h ARG 119 CO -0.43 0.21 -0.87 0.28 -1.51 0.00 0.00 179.97 177.64 3knn h VAL 120 N 0.32 1.32 -0.06 0.20 2.07 -0.09 -2.69 116.25 117.32 3knn h VAL 120 Ca 0.52 -2.37 0.02 0.00 0.82 0.00 0.00 66.70 65.69 3knn h VAL 120 Cb 1.46 2.91 -0.00 0.00 -1.52 0.00 0.00 31.29 34.13 3knn h VAL 120 CO -0.19 0.61 0.12 0.00 0.02 0.00 0.00 177.57 178.13 3knn h ALA 121 N -0.09 1.41 0.07 1.67 0.00 -0.45 1.13 119.26 123.01 3knn h ALA 121 Ca -0.20 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.46 3knn h ALA 121 Cb 1.44 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 3knn h ALA 121 CO 0.01 -0.15 -1.17 0.93 0.00 0.00 0.00 179.25 178.87 3knn h GLU 122 N 0.00 0.15 0.00 0.00 5.08 -0.53 -3.20 114.58 116.08 3knn h GLU 122 Ca 0.03 -0.25 -0.03 0.00 -1.00 0.00 0.00 59.36 58.11 3knn h GLU 122 Cb 0.27 0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 3knn h GLU 122 CO -0.00 1.10 -0.15 1.96 -1.00 0.00 0.00 179.01 180.92 3knn h GLN 123 N 0.04 0.00 -2.17 2.33 4.20 0.16 -2.80 115.11 116.88 3knn h GLN 123 Ca -0.09 0.00 -0.58 0.00 0.06 0.00 0.00 58.65 58.04 3knn h GLN 123 Cb 1.89 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 29.50 3knn h GLN 123 CO 0.17 0.15 0.97 -0.89 -0.67 0.00 0.00 178.83 178.55 3knn n ILE 124 N -3.53 3.91 -0.10 2.54 5.41 -0.68 -2.49 119.36 124.41 3knn n ILE 124 Ca -0.01 -3.45 -0.11 0.00 1.00 0.00 0.00 62.75 60.17 3knn n ILE 124 Cb 0.29 -1.71 -0.03 0.00 -0.71 0.00 0.00 39.64 37.48 3knn n ILE 124 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3knn h ARG 126 N 3.46 0.53 0.00 0.38 3.08 -1.78 -3.47 114.38 116.57 3knn h ARG 126 Ca 0.48 -0.18 -0.00 0.00 0.07 0.00 0.00 59.98 60.35 3knn h ARG 126 Cb 0.58 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.58 3knn h ARG 126 CO 1.06 0.69 -0.01 0.54 -1.07 0.00 0.00 179.97 181.17 3knn n ARG 127 N -4.56 0.00 -0.80 0.04 1.74 -1.24 -5.05 116.66 106.80 3knn n ARG 127 Ca -0.03 -0.04 -0.26 0.00 -0.77 0.00 0.00 57.85 56.76 3knn n ARG 127 Cb 0.27 0.21 0.22 0.00 -1.02 0.00 0.00 32.46 32.14 3knn n ARG 127 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 3knn n PHE 128 N 0.00 -3.75 -2.54 -1.55 7.35 -1.04 -4.94 117.46 110.99 3knn n PHE 128 Ca -0.01 -0.84 -0.42 0.00 -0.76 0.00 0.00 57.45 55.42 3knn n PHE 128 Cb 0.15 -1.00 -0.02 0.00 0.35 0.00 0.00 39.48 38.95 3knn n PHE 128 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3knn s ALA 129 N -2.88 3.01 0.40 3.13 0.00 -1.26 -4.92 121.76 119.24 3knn s ALA 129 Ca 0.61 -0.66 0.10 0.00 0.00 0.00 0.00 51.96 52.01 3knn s ALA 129 Cb -0.07 -4.01 0.90 0.00 0.00 0.00 0.00 23.12 19.95 3knn s ALA 129 CO 0.47 -2.58 1.96 0.28 0.00 0.00 0.00 175.76 175.89 3knn h VAL 130 N 6.24 0.94 0.07 0.00 2.07 -1.94 -1.57 116.25 122.05 3knn h VAL 130 Ca -0.25 -0.19 -0.13 0.00 0.82 0.00 0.00 66.70 66.94 3knn h VAL 130 Cb 1.07 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 3knn h VAL 130 CO 1.16 0.10 -0.63 -0.09 0.02 0.00 0.00 177.57 178.14 3knn h ARG 131 N 0.57 0.15 0.29 1.57 2.43 -2.01 -3.30 114.38 114.07 3knn h ARG 131 Ca 0.31 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.22 3knn h ARG 131 Cb 0.46 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 3knn h ARG 131 CO -0.10 1.12 -0.46 -0.09 -1.51 0.00 0.00 179.97 178.93 3knn h ARG 132 N -0.67 -0.77 -0.65 0.20 2.43 -1.97 -0.99 114.38 111.97 3knn h ARG 132 Ca -0.13 0.05 0.25 0.00 -0.81 0.00 0.00 59.98 59.34 3knn h ARG 132 Cb 1.38 0.17 -0.09 0.00 -0.42 0.00 0.00 29.97 31.01 3knn h ARG 132 CO 0.04 -0.51 0.38 0.00 -1.51 0.00 0.00 179.97 178.38 3knn n ALA 133 N -2.81 0.65 -1.00 2.80 0.00 -0.60 0.11 120.51 119.66 3knn n ALA 133 Ca -0.09 0.53 0.00 0.00 0.00 0.00 0.00 53.44 53.88 3knn n ALA 133 Cb 0.39 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.27 3knn n ALA 133 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knn n ILE 134 N -4.04 0.00 -0.00 0.00 2.08 -0.38 -2.22 119.36 114.79 3knn n ILE 134 Ca 0.22 0.31 0.21 0.00 0.56 0.00 0.00 62.75 64.05 3knn n ILE 134 Cb 0.78 -0.83 0.54 0.00 -0.75 0.00 0.00 39.64 39.38 3knn n ILE 134 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 3knn h LYS 135 N 0.00 0.00 0.00 0.38 1.57 -1.34 1.57 116.57 118.75 3knn h LYS 135 Ca 0.00 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 3knn h LYS 135 Cb 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3knn h LYS 135 CO 0.00 0.00 -0.54 0.37 -0.57 0.00 0.00 179.45 178.71 3knn h GLN 136 N 0.00 0.00 0.03 3.15 4.15 -0.43 0.38 115.11 122.39 3knn h GLN 136 Ca 0.29 0.00 -0.31 0.00 0.77 0.00 0.00 58.65 59.40 3knn h GLN 136 Cb 1.98 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 29.62 3knn h GLN 136 CO -0.00 0.54 -1.79 0.00 -1.93 0.00 0.00 178.83 175.65 3knn n ALA 137 N -2.33 1.37 0.07 3.38 0.00 0.52 -2.69 120.51 120.83 3knn n ALA 137 Ca -0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 53.44 52.58 3knn n ALA 137 Cb 0.62 -0.79 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 3knn n ALA 137 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knn h VAL 138 N 0.01 1.43 -0.12 0.00 2.07 -0.90 -0.04 116.25 118.70 3knn h VAL 138 Ca -0.32 -2.46 -0.21 0.00 0.82 0.00 0.00 66.70 64.53 3knn h VAL 138 Cb 2.02 2.38 0.00 0.00 -1.52 0.00 0.00 31.29 34.18 3knn h VAL 138 CO 0.08 0.73 -0.77 -0.61 0.02 0.00 0.00 177.57 177.02 3knn h GLN 139 N 0.19 0.64 -0.68 1.57 5.75 -0.38 -2.26 115.11 119.93 3knn h GLN 139 Ca -0.06 -0.52 -0.00 0.00 -0.15 0.00 0.00 58.65 57.92 3knn h GLN 139 Cb 1.49 0.11 -0.03 0.00 1.07 0.00 0.00 27.48 30.12 3knn h GLN 139 CO 0.14 1.14 0.41 -0.09 -2.65 0.00 0.00 178.83 177.79 3knn h ARG 140 N 0.43 0.92 0.23 1.69 2.43 -1.41 -2.57 114.38 116.10 3knn h ARG 140 Ca -0.05 -0.08 -0.01 0.00 -0.81 0.00 0.00 59.98 59.03 3knn h ARG 140 Cb 1.37 -0.19 0.00 0.00 -0.42 0.00 0.00 29.97 30.73 3knn h ARG 140 CO 0.15 0.65 -0.11 0.28 -1.51 0.00 0.00 179.97 179.42 3knn h VAL 141 N 0.92 0.00 0.00 0.20 2.07 -0.96 -3.23 116.25 115.25 3knn h VAL 141 Ca 0.24 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.58 3knn h VAL 141 Cb -0.04 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.73 3knn h VAL 141 CO -0.05 0.00 0.42 0.24 0.02 0.00 0.00 177.57 178.20 3knn h MET 142 N -0.50 0.00 -0.19 1.57 2.86 -1.49 0.38 114.93 117.57 3knn h MET 142 Ca -0.03 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.39 3knn h MET 142 Cb 0.24 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.91 3knn h MET 142 CO 0.05 0.00 -0.73 1.49 1.06 0.00 0.00 176.91 178.78 3knn h GLU 143 N 0.00 0.82 -1.46 1.72 4.81 -1.51 -3.10 114.58 115.87 3knn h GLU 143 Ca 0.00 -0.64 0.00 0.00 -0.13 0.00 0.00 59.36 58.59 3knn h GLU 143 Cb 0.84 0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.34 3knn h GLU 143 CO 0.00 1.25 0.00 -1.13 -0.73 0.00 0.00 179.01 178.40 3knn n SER 144 N -3.95 3.48 -2.78 1.04 3.41 0.13 -4.82 113.62 110.12 3knn n SER 144 Ca -0.07 -1.96 -0.02 0.00 -0.26 0.00 0.00 58.87 56.56 3knn n SER 144 Cb 0.72 -0.66 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 3knn n SER 144 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knn n GLY 145 N 0.94 -3.49 2.89 5.00 0.00 -1.17 -4.95 105.19 104.41 3knn n GLY 145 Ca 0.00 0.59 -0.13 0.00 0.00 0.00 0.00 46.02 46.47 3knn n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn s ALA 146 N -1.76 0.13 -0.68 4.61 0.00 -1.24 -4.99 121.76 117.82 3knn s ALA 146 Ca 0.05 -0.04 0.25 0.00 0.00 0.00 0.00 51.96 52.22 3knn s ALA 146 Cb -0.01 -0.05 0.89 0.00 0.00 0.00 0.00 23.12 23.94 3knn s ALA 146 CO 0.74 0.02 1.76 1.63 0.00 0.00 0.00 175.76 179.91 3knn n LYS 147 N 3.14 0.22 -3.64 0.00 4.76 -0.93 -4.83 118.16 116.88 3knn n LYS 147 Ca -0.14 0.27 -0.09 0.00 -2.87 0.00 0.00 58.31 55.48 3knn n LYS 147 Cb 0.59 -1.80 -0.07 0.00 -1.84 0.00 0.00 35.03 31.91 3knn n LYS 147 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3knn s GLY 148 N -3.52 -0.11 -0.02 0.72 0.00 -1.03 -1.63 107.32 101.74 3knn s GLY 148 Ca 0.09 2.73 -0.03 0.00 0.00 0.00 0.00 44.72 47.51 3knn s GLY 148 CO 0.52 1.80 0.07 0.00 0.00 0.00 0.00 173.10 175.49 3knn s ALA 149 N 0.14 -0.16 -0.26 3.20 0.00 0.26 0.76 121.76 125.70 3knn s ALA 149 Ca 0.03 0.10 -0.17 0.00 0.00 0.00 0.00 51.96 51.92 3knn s ALA 149 Cb -0.05 -0.08 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3knn s ALA 149 CO -0.07 -0.06 0.66 0.21 0.00 0.00 0.00 175.76 176.51 3knn s LYS 150 N -0.19 0.71 0.09 0.00 2.20 -0.50 -0.05 119.74 121.99 3knn s LYS 150 Ca -0.02 1.11 0.07 0.00 -0.36 0.00 0.00 55.97 56.77 3knn s LYS 150 Cb -0.02 0.19 -0.03 0.00 -1.51 0.00 0.00 37.83 36.46 3knn s LYS 150 CO 0.00 -0.14 -0.17 0.08 -0.36 0.00 0.00 175.35 174.76 3knn s VAL 151 N 1.27 1.41 -0.22 4.02 1.01 -1.04 -0.42 120.40 126.43 3knn s VAL 151 Ca -0.07 -1.43 -0.04 0.00 0.00 0.00 0.00 61.98 60.44 3knn s VAL 151 Cb -0.05 -1.32 0.08 0.00 0.00 0.00 0.00 36.38 35.10 3knn s VAL 151 CO -0.14 -0.15 0.15 -0.63 0.00 0.00 0.00 175.10 174.34 3knn s ILE 152 N -1.24 -0.17 0.03 2.22 1.01 -0.53 -4.00 121.20 118.51 3knn s ILE 152 Ca 0.02 -0.31 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 3knn s ILE 152 Cb -0.10 -0.73 -0.06 0.00 0.01 0.00 0.00 42.46 41.58 3knn s ILE 152 CO 0.03 -0.38 0.50 -0.69 0.00 0.00 0.00 174.94 174.40 3knn s VAL 153 N 2.20 4.89 0.00 2.92 1.01 -0.84 -1.73 120.40 128.85 3knn s VAL 153 Ca 0.06 1.04 0.00 0.00 0.00 0.00 0.00 61.98 63.08 3knn s VAL 153 Cb -0.16 -3.82 0.00 0.00 0.00 0.00 0.00 36.38 32.41 3knn s VAL 153 CO -0.18 0.55 0.00 -1.54 0.00 0.00 0.00 175.10 173.93 3knn n SER 154 N 1.90 0.00 -4.65 3.32 3.41 -0.83 -0.30 113.62 116.47 3knn n SER 154 Ca -0.12 0.00 -0.23 0.00 -0.26 0.00 0.00 58.87 58.26 3knn n SER 154 Cb 0.51 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.39 3knn n SER 154 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3knn s GLY 155 N 0.00 1.85 0.00 5.00 0.00 -1.13 -3.47 107.32 109.57 3knn s GLY 155 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 44.72 42.93 3knn s GLY 155 CO 0.00 -1.79 0.00 0.54 0.00 0.00 0.00 173.10 171.85 3knn n ARG 156 N -0.95 0.00 -1.52 2.90 5.12 -1.26 -4.70 116.66 116.25 3knn n ARG 156 Ca -0.05 0.11 -0.34 0.00 -1.93 0.00 0.00 57.85 55.64 3knn n ARG 156 Cb 0.60 -0.93 -0.12 0.00 -1.16 0.00 0.00 32.46 30.85 3knn n ARG 156 CO 0.00 0.00 0.00 -0.89 -1.93 0.00 0.00 177.63 174.81 3knn n ILE 157 N -2.24 -0.02 0.00 0.55 5.41 -1.26 0.24 119.36 122.04 3knn n ILE 157 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 62.75 63.40 3knn n ILE 157 Cb 0.00 -1.20 0.00 0.00 -0.71 0.00 0.00 39.64 37.73 3knn n ILE 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3knn n GLY 158 N 6.24 1.31 0.58 7.39 0.00 -1.26 -4.24 105.19 115.21 3knn n GLY 158 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.59 3knn n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knn n GLY 159 N -2.00 0.78 3.65 -0.02 0.00 0.66 -5.02 105.19 103.24 3knn n GLY 159 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 3knn n GLY 159 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn n ALA 160 N -1.27 1.57 -0.08 4.61 0.00 -1.26 -4.76 120.51 119.32 3knn n ALA 160 Ca 0.00 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.67 3knn n ALA 160 Cb 0.00 -2.71 0.14 0.00 0.00 0.00 0.00 19.45 16.88 3knn n ALA 160 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3knn n GLU 161 N 7.65 -0.01 -2.39 0.00 4.07 -1.26 -4.04 120.64 124.66 3knn n GLU 161 Ca 0.22 0.30 -0.42 0.00 -0.06 0.00 0.00 57.16 57.19 3knn n GLU 161 Cb 0.41 -0.55 -0.03 0.00 -0.06 0.00 0.00 31.44 31.20 3knn n GLU 161 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 3knn s GLN 162 N -4.20 4.35 -0.36 5.31 2.00 -1.26 -4.99 119.66 120.50 3knn s GLN 162 Ca -0.02 1.77 -0.26 0.00 -2.00 0.00 0.00 55.36 54.85 3knn s GLN 162 Cb 0.07 -3.51 0.02 0.00 0.80 0.00 0.00 33.01 30.39 3knn s GLN 162 CO 0.18 -0.43 0.94 0.00 -0.50 0.00 0.00 175.29 175.48 3knn s ALA 163 N 1.98 3.41 0.00 1.58 0.00 -1.26 -4.04 121.76 123.43 3knn s ALA 163 Ca 0.59 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.14 3knn s ALA 163 Cb -0.28 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.29 3knn s ALA 163 CO 0.25 -1.60 0.00 0.54 0.00 0.00 0.00 175.76 174.95 3knn n ARG 164 N 6.79 3.81 -3.64 0.00 1.74 -1.26 -4.72 116.66 119.38 3knn n ARG 164 Ca 0.08 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.10 3knn n ARG 164 Cb 0.48 0.00 -0.06 0.00 -1.02 0.00 0.00 32.46 31.86 3knn n ARG 164 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 3knn s THR 165 N 2.32 -0.16 -0.10 0.55 2.01 -1.23 -2.82 115.64 116.22 3knn s THR 165 Ca 0.00 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 61.97 3knn s THR 165 Cb 0.00 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.48 3knn s THR 165 CO 0.00 0.00 0.03 -0.70 -0.69 0.00 0.00 174.62 173.26 3knn s GLU 166 N 1.80 3.15 0.00 4.92 2.56 0.59 -4.99 118.70 126.73 3knn s GLU 166 Ca -0.09 -0.36 0.00 0.00 0.00 0.00 0.00 54.97 54.52 3knn s GLU 166 Cb -0.06 -2.89 0.00 0.00 2.00 0.00 0.00 34.13 33.18 3knn s GLU 166 CO -0.19 0.68 0.00 1.87 -0.56 0.00 0.00 175.26 177.06 3knn n TRP 167 N 2.24 0.00 -1.37 5.30 -0.00 -1.26 -1.98 117.44 120.37 3knn n TRP 167 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.50 57.31 3knn n TRP 167 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 31.31 31.85 3knn n TRP 167 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3knn n ALA 168 N -3.00 -2.74 -2.94 5.87 0.00 -1.26 -4.33 120.51 112.11 3knn n ALA 168 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 168 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knn n ALA 168 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knn n ALA 169 N 0.03 0.00 0.00 0.00 0.00 -1.26 -2.50 120.51 116.78 3knn n ALA 169 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 169 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knn n ALA 169 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 3knn n GLN 170 N 0.00 0.00 0.00 0.00 7.27 0.93 -4.86 117.38 120.72 3knn n GLN 170 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 3knn n GLN 170 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 3knn n GLN 170 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 3knn n GLY 171 N -0.89 1.80 3.55 1.69 0.00 -1.26 -0.57 105.19 109.50 3knn n GLY 171 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 3knn n GLY 171 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knn s ARG 172 N 0.00 0.38 -0.40 1.61 1.81 -0.64 -4.88 118.95 116.82 3knn s ARG 172 Ca 0.00 0.78 0.09 0.00 -1.72 0.00 0.00 55.73 54.88 3knn s ARG 172 Cb 0.00 0.28 0.29 0.00 -0.45 0.00 0.00 34.95 35.08 3knn s ARG 172 CO 0.00 -0.10 0.70 0.28 -0.68 0.00 0.00 175.30 175.50 3knn n VAL 173 N 4.37 -0.35 -2.39 3.52 0.31 -1.26 -3.52 118.33 119.01 3knn n VAL 173 Ca -0.14 -3.68 -0.43 0.00 -0.01 0.00 0.00 64.34 60.08 3knn n VAL 173 Cb 0.55 -0.57 -0.02 0.00 -0.91 0.00 0.00 33.84 32.89 3knn n VAL 173 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 3knn s PRO 174 N -1.29 3.52 0.00 5.55 0.04 -1.26 -4.85 135.00 136.72 3knn s PRO 174 Ca 0.35 0.77 0.13 0.00 0.04 0.00 0.00 61.00 62.30 3knn s PRO 174 Cb 0.26 -4.04 0.66 0.00 0.04 0.00 0.00 34.50 31.42 3knn s PRO 174 CO -0.11 -1.64 1.44 1.28 0.04 0.00 0.00 177.00 178.02 3knn n LEU 175 N 8.90 0.58 -0.01 -3.56 4.32 -1.26 -3.36 117.00 122.62 3knn n LEU 175 Ca 0.15 -0.26 0.07 0.00 -0.02 0.00 0.00 56.01 55.94 3knn n LEU 175 Cb 0.48 -0.05 -0.10 0.00 -1.62 0.00 0.00 43.42 42.13 3knn n LEU 175 CO 0.71 0.13 -0.61 1.41 -1.22 0.00 0.00 177.39 177.81 3knn n HIS 176 N -0.32 0.00 -2.68 -1.77 8.25 -1.26 -4.83 115.22 112.61 3knn n HIS 176 Ca 0.11 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 3knn n HIS 176 Cb 0.13 -0.28 -0.03 0.00 1.12 0.00 0.00 29.99 30.94 3knn n HIS 176 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3knn s THR 177 N -2.85 4.78 -0.00 1.59 2.01 -1.21 -4.97 115.64 114.99 3knn s THR 177 Ca -0.04 2.00 -0.20 0.00 0.31 0.00 0.00 61.69 63.76 3knn s THR 177 Cb 0.08 -4.28 -0.23 0.00 0.01 0.00 0.00 72.50 68.08 3knn s THR 177 CO 0.54 0.15 1.09 -0.07 -0.69 0.00 0.00 174.62 175.64 3knn h LEU 178 N 6.86 0.50 -3.76 4.42 -0.00 -1.93 -3.23 115.31 118.17 3knn h LEU 178 Ca -0.41 -0.76 -0.03 0.00 -0.00 0.00 0.00 57.88 56.68 3knn h LEU 178 Cb 1.22 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.71 3knn h LEU 178 CO 0.76 1.20 0.01 -2.11 -0.00 0.00 0.00 178.44 178.30 3knn n ARG 179 N -4.25 0.66 0.00 1.13 1.85 -1.26 -4.33 116.66 110.46 3knn n ARG 179 Ca -0.10 -0.14 0.00 0.00 -1.00 0.00 0.00 57.85 56.60 3knn n ARG 179 Cb 0.65 -1.39 0.00 0.00 -1.05 0.00 0.00 32.46 30.68 3knn n ARG 179 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 3knn n ALA 180 N 2.02 0.00 -1.03 2.89 0.00 -1.22 -4.17 120.51 119.00 3knn n ALA 180 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3knn n ALA 180 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.77 3knn n ALA 180 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3knn n ASN 181 N 0.00 -1.38 -3.76 0.00 5.15 -1.26 -4.13 115.26 109.88 3knn n ASN 181 Ca 0.00 0.00 -0.23 0.00 -0.60 0.00 0.00 54.58 53.75 3knn n ASN 181 Cb 0.00 -0.69 -0.18 0.00 -0.53 0.00 0.00 39.78 38.39 3knn n ASN 181 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3knn s ILE 182 N -0.25 0.34 -0.01 -1.44 1.01 -1.26 -2.78 121.20 116.81 3knn s ILE 182 Ca 0.00 0.15 -0.30 0.00 0.00 0.00 0.00 60.65 60.49 3knn s ILE 182 Cb 0.00 -0.50 -0.04 0.00 0.01 0.00 0.00 42.46 41.93 3knn s ILE 182 CO 0.00 0.25 1.20 -0.62 0.00 0.00 0.00 174.94 175.77 3knn s ASP 183 N 1.98 7.07 -0.09 3.58 3.68 -0.78 -4.78 116.67 127.32 3knn s ASP 183 Ca 0.05 1.88 -0.01 0.00 2.13 0.00 0.00 52.55 56.60 3knn s ASP 183 Cb -0.12 -2.57 -0.03 0.00 -1.45 0.00 0.00 42.92 38.75 3knn s ASP 183 CO -0.05 -0.54 -0.02 -0.47 0.13 0.00 0.00 175.17 174.22 3knn s TYR 184 N 1.79 3.08 -0.11 -5.34 5.04 -1.25 -1.22 117.35 119.35 3knn s TYR 184 Ca 0.57 0.08 -0.04 0.00 -2.44 0.00 0.00 57.07 55.24 3knn s TYR 184 Cb -0.26 -1.80 0.06 0.00 0.35 0.00 0.00 41.96 40.31 3knn s TYR 184 CO 0.25 0.36 0.23 0.20 -1.34 0.00 0.00 175.55 175.24 3knn s GLY 185 N -0.67 -0.07 0.01 8.97 0.00 0.03 -4.44 107.32 111.15 3knn s GLY 185 Ca 0.11 0.83 -0.09 0.00 0.00 0.00 0.00 44.72 45.57 3knn s GLY 185 CO 0.02 1.72 0.32 -0.12 0.00 0.00 0.00 173.10 175.04 3knn s PHE 186 N 2.12 3.61 -0.06 1.90 5.36 -1.26 -0.40 117.98 129.26 3knn s PHE 186 Ca -0.01 0.71 -0.00 0.00 -0.96 0.00 0.00 56.93 56.67 3knn s PHE 186 Cb -0.12 -2.09 0.03 0.00 -0.34 0.00 0.00 43.02 40.50 3knn s PHE 186 CO -0.08 0.60 -0.02 0.00 -1.46 0.00 0.00 175.22 174.27 3knn s ALA 187 N -1.26 0.66 1.02 11.12 0.00 0.75 -4.74 121.76 129.30 3knn s ALA 187 Ca 0.27 -0.08 -0.02 0.00 0.00 0.00 0.00 51.96 52.13 3knn s ALA 187 Cb -0.14 -0.59 0.03 0.00 0.00 0.00 0.00 23.12 22.42 3knn s ALA 187 CO 0.15 -0.26 0.13 -0.11 0.00 0.00 0.00 175.76 175.67 3knn n LEU 188 N 4.66 0.00 -3.15 0.00 -0.00 -1.26 0.62 117.00 117.86 3knn n LEU 188 Ca -0.15 -0.14 0.06 0.00 -0.00 0.00 0.00 56.01 55.77 3knn n LEU 188 Cb 0.50 -0.11 -0.01 0.00 -0.00 0.00 0.00 43.42 43.80 3knn n LEU 188 CO 0.16 -0.92 0.58 0.00 -0.00 0.00 0.00 177.39 177.21 3knn s ALA 189 N -3.40 -3.87 -0.65 1.96 0.00 -1.26 -4.54 121.76 110.00 3knn s ALA 189 Ca 0.08 1.37 -0.21 0.00 0.00 0.00 0.00 51.96 53.20 3knn s ALA 189 Cb -0.01 -2.71 0.08 0.00 0.00 0.00 0.00 23.12 20.49 3knn s ALA 189 CO 0.06 -1.83 0.90 1.03 0.00 0.00 0.00 175.76 175.92 3knn s ARG 190 N 2.96 3.11 0.21 0.00 0.52 -1.26 -2.22 118.95 122.27 3knn s ARG 190 Ca 0.14 -1.02 0.08 0.00 -0.52 0.00 0.00 55.73 54.41 3knn s ARG 190 Cb -0.05 -4.27 -0.04 0.00 0.52 0.00 0.00 34.95 31.11 3knn s ARG 190 CO -0.17 -1.74 -0.00 0.95 0.02 0.00 0.00 175.30 174.36 3knn s THR 191 N 3.60 3.58 0.54 0.02 -4.23 -1.14 -5.00 115.64 113.00 3knn s THR 191 Ca 0.19 -1.64 0.21 0.00 -1.18 0.00 0.00 61.69 59.28 3knn s THR 191 Cb -0.19 -2.85 0.32 0.00 1.34 0.00 0.00 72.50 71.12 3knn s THR 191 CO 0.08 -0.22 2.13 0.74 -0.54 0.00 0.00 174.62 176.81 3knn h THR 192 N 2.23 0.82 -2.10 3.99 2.02 -1.96 -3.02 112.91 114.89 3knn h THR 192 Ca -0.46 0.00 -0.76 0.00 0.77 0.00 0.00 66.41 65.96 3knn h THR 192 Cb 1.22 0.93 -0.29 0.00 -1.74 0.00 0.00 68.15 68.27 3knn h THR 192 CO 0.58 0.00 0.77 0.00 0.37 0.00 0.00 175.52 177.25 3knn n TYR 193 N -4.33 3.01 -0.16 3.16 0.18 -1.26 -5.03 117.16 112.73 3knn n TYR 193 Ca 0.00 -2.63 0.00 0.00 1.88 0.00 0.00 57.90 57.15 3knn n TYR 193 Cb 0.22 -1.05 0.00 0.00 -0.38 0.00 0.00 39.34 38.13 3knn n TYR 193 CO 0.00 0.00 0.00 0.41 -2.08 0.00 0.00 176.86 175.19 3knn n GLY 194 N -0.30 0.69 3.08 -7.48 0.00 -1.14 -4.95 105.19 95.10 3knn n GLY 194 Ca 0.48 -1.67 -0.08 0.00 0.00 0.00 0.00 46.02 44.75 3knn n GLY 194 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 195 N 0.00 0.25 0.00 1.61 1.01 -1.26 -2.91 120.40 119.10 3knn s VAL 195 Ca 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 61.98 60.35 3knn s VAL 195 Cb 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 36.38 35.10 3knn s VAL 195 CO 0.00 -0.88 0.00 0.18 0.00 0.00 0.00 175.10 174.40 3knn n LEU 196 N 0.41 0.00 0.00 3.92 7.99 -0.94 -4.84 117.00 123.53 3knn n LEU 196 Ca -0.16 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 55.84 3knn n LEU 196 Cb 0.60 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.91 3knn n LEU 196 CO 0.27 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.76 3knn n GLY 197 N 3.90 0.91 3.93 -0.72 0.00 -1.24 -4.11 105.19 107.86 3knn n GLY 197 Ca 0.00 0.55 -0.26 0.00 0.00 0.00 0.00 46.02 46.31 3knn n GLY 197 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 198 N 0.00 5.16 -0.03 1.61 1.01 0.20 -1.97 120.40 126.39 3knn s VAL 198 Ca 0.00 -0.39 0.03 0.00 0.00 0.00 0.00 61.98 61.62 3knn s VAL 198 Cb 0.00 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.61 3knn s VAL 198 CO 0.00 -0.30 -0.11 -0.54 0.00 0.00 0.00 175.10 174.15 3knn s LYS 199 N -3.65 1.16 -0.09 2.72 1.02 -0.71 -0.18 119.74 120.02 3knn s LYS 199 Ca 0.39 -0.38 0.03 0.00 0.02 0.00 0.00 55.97 56.03 3knn s LYS 199 Cb -0.10 -1.06 0.01 0.00 -0.52 0.00 0.00 37.83 36.15 3knn s LYS 199 CO 0.31 0.15 -0.17 0.00 -0.92 0.00 0.00 175.35 174.71 3knn s ALA 200 N 0.14 1.68 -0.20 5.17 0.00 0.47 -1.45 121.76 127.57 3knn s ALA 200 Ca -0.03 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.25 3knn s ALA 200 Cb -0.09 -0.71 0.05 0.00 0.00 0.00 0.00 23.12 22.37 3knn s ALA 200 CO 0.01 0.15 -0.08 0.71 0.00 0.00 0.00 175.76 176.55 3knn s TYR 201 N 0.60 2.23 -0.30 0.00 1.51 0.44 -0.79 117.35 121.04 3knn s TYR 201 Ca -0.15 -1.52 -0.05 0.00 -1.01 0.00 0.00 57.07 54.34 3knn s TYR 201 Cb -0.16 -1.54 0.02 0.00 -0.11 0.00 0.00 41.96 40.17 3knn s TYR 201 CO 0.05 -0.72 0.05 0.42 -1.11 0.00 0.00 175.55 174.24 3knn s ILE 202 N 1.46 3.66 -0.12 2.71 -1.09 -0.36 -1.41 121.20 126.05 3knn s ILE 202 Ca -0.02 -0.89 -0.22 0.00 -2.23 0.00 0.00 60.65 57.29 3knn s ILE 202 Cb -0.17 -2.93 -0.03 0.00 -1.58 0.00 0.00 42.46 37.74 3knn s ILE 202 CO -0.07 0.04 0.65 0.12 -1.23 0.00 0.00 174.94 174.44 3knn s PHE 203 N 1.43 3.50 0.00 3.97 5.36 0.23 -1.86 117.98 130.61 3knn s PHE 203 Ca 0.01 1.09 0.00 0.00 -0.96 0.00 0.00 56.93 57.07 3knn s PHE 203 Cb -0.18 -2.77 0.00 0.00 -0.34 0.00 0.00 43.02 39.74 3knn s PHE 203 CO 0.01 0.01 0.00 1.28 -1.46 0.00 0.00 175.22 175.06 3knn n LEU 204 N 4.20 0.00 0.00 6.12 4.77 -1.12 -2.19 117.00 128.78 3knn n LEU 204 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3knn n LEU 204 Cb 0.51 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 3knn n LEU 204 CO 0.46 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.13 3knn n GLY 205 N 4.68 3.04 0.00 -0.72 0.00 -1.26 -4.16 105.19 106.76 3knn n GLY 205 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 3knn n GLY 205 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knn n GLU 206 N 0.00 0.00 0.03 1.61 1.02 -1.26 -4.64 120.64 117.40 3knn n GLU 206 Ca 0.00 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.16 3knn n GLU 206 Cb 0.00 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.45 3knn n GLU 206 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3knn n VAL 207 N 0.00 0.00 0.00 2.62 0.31 -1.26 -4.73 118.33 115.27 3knn n VAL 207 Ca 0.00 0.24 0.00 0.00 -0.01 0.00 0.00 64.34 64.57 3knn n VAL 207 Cb 0.00 -0.46 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 3knn n VAL 207 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13