#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knn n PHE 6 N 0.00 0.00 0.05 2.11 3.01 -1.26 -5.00 117.46 116.36 3knn n PHE 6 Ca 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 57.45 58.37 3knn n PHE 6 Cb 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 39.48 39.41 3knn n PHE 6 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 3knn h GLU 7 N 0.00 -0.21 -4.66 -1.08 4.57 -1.62 -3.48 114.58 108.10 3knn h GLU 7 Ca 0.00 0.01 0.01 0.00 -1.18 0.00 0.00 59.36 58.20 3knn h GLU 7 Cb 0.00 0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 28.53 3knn h GLU 7 CO 0.00 0.16 -1.30 -1.91 -1.18 0.00 0.00 179.01 174.78 3knn n GLU 8 N -4.90 -3.77 -4.66 1.92 2.13 -1.25 -4.97 120.64 105.14 3knn n GLU 8 Ca -0.06 2.93 -0.25 0.00 0.66 0.00 0.00 57.16 60.44 3knn n GLU 8 Cb 0.23 -4.42 -0.16 0.00 0.27 0.00 0.00 31.44 27.36 3knn n GLU 8 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 3knn s LYS 9 N -0.79 1.67 -0.25 5.31 2.20 0.24 -4.97 119.74 123.15 3knn s LYS 9 Ca -0.22 -0.48 -0.21 0.00 -0.36 0.00 0.00 55.97 54.70 3knn s LYS 9 Cb 0.01 -1.41 -0.02 0.00 -1.51 0.00 0.00 37.83 34.91 3knn s LYS 9 CO 0.66 0.11 0.67 0.00 -0.36 0.00 0.00 175.35 176.44 3knn s MET 10 N 0.39 4.13 0.03 4.03 0.23 -1.26 0.77 119.30 127.62 3knn s MET 10 Ca -0.10 0.63 -0.28 0.00 -1.03 0.00 0.00 55.69 54.91 3knn s MET 10 Cb -0.13 -3.65 -0.15 0.00 -1.53 0.00 0.00 34.83 29.36 3knn s MET 10 CO 0.03 -0.43 1.31 0.82 -2.03 0.00 0.00 175.02 174.72 3knn h ILE 11 N 5.40 0.00 -4.12 3.16 2.04 0.56 -3.47 117.51 121.08 3knn h ILE 11 Ca -0.26 -0.09 -0.20 0.00 1.00 0.00 0.00 64.86 65.30 3knn h ILE 11 Cb 1.12 0.00 -0.15 0.00 -0.74 0.00 0.00 36.82 37.05 3knn h ILE 11 CO 0.79 0.00 -0.67 -0.22 0.00 0.00 0.00 178.15 178.06 3knn s LEU 12 N -8.83 2.14 -0.12 1.44 1.98 -0.81 -4.94 118.68 109.53 3knn s LEU 12 Ca -0.15 -1.12 -0.10 0.00 -2.89 0.00 0.00 54.13 49.87 3knn s LEU 12 Cb 0.01 0.13 0.03 0.00 0.66 0.00 0.00 46.19 47.03 3knn s LEU 12 CO 0.44 -0.62 0.31 -0.63 -1.89 0.00 0.00 176.35 173.97 3knn s ILE 13 N -3.85 -0.00 0.02 6.68 1.01 -1.26 0.65 121.20 124.44 3knn s ILE 13 Ca 0.18 0.01 -0.17 0.00 0.00 0.00 0.00 60.65 60.67 3knn s ILE 13 Cb 0.07 -0.44 0.03 0.00 0.01 0.00 0.00 42.46 42.13 3knn s ILE 13 CO -0.01 0.00 0.38 0.00 0.00 0.00 0.00 174.94 175.31 3knn s ARG 14 N 0.27 0.83 -0.61 2.79 1.70 -0.62 -5.01 118.95 118.30 3knn s ARG 14 Ca -0.01 -0.29 -0.12 0.00 -0.47 0.00 0.00 55.73 54.85 3knn s ARG 14 Cb -0.03 0.37 0.15 0.00 -0.57 0.00 0.00 34.95 34.88 3knn s ARG 14 CO -0.01 -0.26 0.52 0.50 -1.08 0.00 0.00 175.30 174.97 3knn s ARG 15 N -2.02 2.96 0.00 3.89 3.52 -1.26 -2.36 118.95 123.67 3knn s ARG 15 Ca -0.08 -2.03 0.00 0.00 -0.13 0.00 0.00 55.73 53.49 3knn s ARG 15 Cb -0.02 -4.16 0.00 0.00 -1.56 0.00 0.00 34.95 29.21 3knn s ARG 15 CO 0.01 -1.26 0.00 -2.37 -0.81 0.00 0.00 175.30 170.86 3knn n THR 16 N 4.60 0.00 -2.46 4.11 5.66 -1.14 -5.01 114.28 120.04 3knn n THR 16 Ca -0.02 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.98 3knn n THR 16 Cb 0.42 -1.78 0.00 0.00 -1.55 0.00 0.00 70.33 67.42 3knn n THR 16 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3knn n ALA 17 N -3.00 0.00 0.00 1.79 0.00 -1.26 -4.05 120.51 113.98 3knn n ALA 17 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3knn n ALA 17 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3knn n ALA 17 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 3knn n ARG 18 N 0.00 0.00 -3.69 0.00 1.85 -1.00 -4.84 116.66 108.98 3knn n ARG 18 Ca 0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 57.85 56.50 3knn n ARG 18 Cb 0.00 0.00 -0.05 0.00 -1.05 0.00 0.00 32.46 31.36 3knn n ARG 18 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 3knn s MET 19 N -1.81 3.65 -0.30 2.89 -1.94 -1.26 -1.85 119.30 118.68 3knn s MET 19 Ca 0.00 0.03 -0.06 0.00 -1.71 0.00 0.00 55.69 53.95 3knn s MET 19 Cb 0.00 -3.08 0.18 0.00 2.01 0.00 0.00 34.83 33.95 3knn s MET 19 CO 0.00 0.64 0.78 -1.14 -0.01 0.00 0.00 175.02 175.29 3knn s GLN 20 N -1.69 0.41 0.00 2.03 -0.44 -0.19 -4.95 119.66 114.83 3knn s GLN 20 Ca 0.28 0.73 0.00 0.00 -2.50 0.00 0.00 55.36 53.87 3knn s GLN 20 Cb -0.14 0.41 0.00 0.00 -1.64 0.00 0.00 33.01 31.64 3knn s GLN 20 CO 0.16 -0.45 0.00 0.00 0.50 0.00 0.00 175.29 175.50 3knn n ALA 21 N 5.45 -0.49 -0.03 1.58 0.00 -1.26 -1.05 120.51 124.70 3knn n ALA 21 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 3knn n ALA 21 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3knn n ALA 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knn n GLY 22 N 0.00 1.77 0.00 0.00 0.00 -1.26 -4.93 105.19 100.77 3knn n GLY 22 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knn n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knn n GLY 23 N -2.00 -0.66 3.33 -0.02 0.00 -0.22 -5.10 105.19 100.53 3knn n GLY 23 Ca 0.00 -1.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.17 3knn n GLY 23 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3knn s ARG 24 N -1.89 2.97 0.23 1.61 1.70 -1.26 -1.02 118.95 121.29 3knn s ARG 24 Ca 0.00 -0.78 0.09 0.00 -0.47 0.00 0.00 55.73 54.57 3knn s ARG 24 Cb 0.00 -2.41 -0.04 0.00 -0.57 0.00 0.00 34.95 31.93 3knn s ARG 24 CO 0.00 0.32 -0.06 1.03 -1.08 0.00 0.00 175.30 175.51 3knn s ARG 25 N 0.04 2.15 0.30 3.89 0.52 -0.77 -4.92 118.95 120.16 3knn s ARG 25 Ca -0.07 -1.37 0.10 0.00 -0.52 0.00 0.00 55.73 53.86 3knn s ARG 25 Cb -0.15 -2.14 -0.05 0.00 0.52 0.00 0.00 34.95 33.14 3knn s ARG 25 CO 0.05 0.39 -0.02 -0.06 0.02 0.00 0.00 175.30 175.68 3knn s PHE 26 N -2.07 2.57 0.05 -0.53 0.40 -1.26 -2.37 117.98 114.77 3knn s PHE 26 Ca 0.28 -0.34 -0.00 0.00 -0.60 0.00 0.00 56.93 56.28 3knn s PHE 26 Cb -0.07 -1.31 -0.03 0.00 0.51 0.00 0.00 43.02 42.12 3knn s PHE 26 CO 0.17 0.56 -0.04 0.50 0.70 0.00 0.00 175.22 177.12 3knn s ARG 27 N -3.68 0.56 -0.01 0.44 3.52 -1.26 -4.82 118.95 113.70 3knn s ARG 27 Ca 0.33 -1.03 0.08 0.00 -0.13 0.00 0.00 55.73 54.98 3knn s ARG 27 Cb -0.03 0.07 -0.02 0.00 -1.56 0.00 0.00 34.95 33.41 3knn s ARG 27 CO 0.19 -0.07 -0.26 -0.06 -0.81 0.00 0.00 175.30 174.30 3knn s PHE 28 N -2.98 2.28 0.05 5.12 2.99 0.98 -2.89 117.98 123.52 3knn s PHE 28 Ca 0.00 -0.43 0.07 0.00 0.00 0.00 0.00 56.93 56.57 3knn s PHE 28 Cb 0.01 -1.45 -0.03 0.00 0.00 0.00 0.00 43.02 41.54 3knn s PHE 28 CO -0.06 -0.02 -0.16 0.20 -0.00 0.00 0.00 175.22 175.19 3knn s GLY 29 N -0.69 1.63 -0.05 4.36 0.00 -0.99 0.39 107.32 111.96 3knn s GLY 29 Ca 0.10 -1.19 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 3knn s GLY 29 CO -0.01 -1.10 0.13 0.00 0.00 0.00 0.00 173.10 172.12 3knn s ALA 30 N -0.99 -0.25 -0.20 3.20 0.00 0.88 -1.59 121.76 122.82 3knn s ALA 30 Ca 0.16 0.53 -0.06 0.00 0.00 0.00 0.00 51.96 52.59 3knn s ALA 30 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 3knn s ALA 30 CO 0.07 -0.12 0.03 -1.17 0.00 0.00 0.00 175.76 174.58 3knn s LEU 31 N 0.78 3.48 0.02 0.00 1.98 0.21 0.26 118.68 125.40 3knn s LEU 31 Ca -0.06 -0.10 0.03 0.00 -2.89 0.00 0.00 54.13 51.11 3knn s LEU 31 Cb -0.08 -1.89 -0.02 0.00 0.66 0.00 0.00 46.19 44.87 3knn s LEU 31 CO -0.04 0.09 -0.11 -0.69 -1.89 0.00 0.00 176.35 173.72 3knn s VAL 32 N 0.86 0.82 -0.01 1.68 1.01 -0.70 0.12 120.40 124.17 3knn s VAL 32 Ca 0.02 -0.73 0.05 0.00 0.00 0.00 0.00 61.98 61.32 3knn s VAL 32 Cb -0.14 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.47 3knn s VAL 32 CO 0.02 0.02 -0.17 -0.69 0.00 0.00 0.00 175.10 174.28 3knn s VAL 33 N -0.66 2.86 -0.12 2.92 1.01 0.23 -2.46 120.40 124.18 3knn s VAL 33 Ca 0.00 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 3knn s VAL 33 Cb -0.06 -2.14 0.06 0.00 0.00 0.00 0.00 36.38 34.23 3knn s VAL 33 CO 0.00 0.48 0.24 -0.69 0.00 0.00 0.00 175.10 175.14 3knn s VAL 34 N -0.80 -0.29 0.00 2.92 1.01 -0.93 0.81 120.40 123.12 3knn s VAL 34 Ca 0.13 0.26 0.00 0.00 0.00 0.00 0.00 61.98 62.36 3knn s VAL 34 Cb -0.10 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.87 3knn s VAL 34 CO 0.02 0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.84 3knn n GLY 35 N 5.04 4.10 0.00 4.51 0.00 -1.25 0.17 105.19 117.76 3knn n GLY 35 Ca -0.11 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3knn n GLY 35 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3knn n ASP 36 N -1.38 0.23 -0.98 1.61 3.85 -0.87 -1.46 116.55 117.56 3knn n ASP 36 Ca 0.00 -0.77 -0.12 0.00 -0.71 0.00 0.00 54.79 53.19 3knn n ASP 36 Cb 0.00 0.08 -0.04 0.00 -1.35 0.00 0.00 41.12 39.81 3knn n ASP 36 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.20 176.73 3knn n ARG 37 N -0.08 -0.83 0.00 0.11 1.74 -0.06 -4.80 116.66 112.74 3knn n ARG 37 Ca 0.00 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 57.93 3knn n ARG 37 Cb 0.13 -4.87 0.00 0.00 -1.02 0.00 0.00 32.46 26.69 3knn n ARG 37 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3knn n GLN 38 N -2.56 4.20 0.00 5.56 1.13 -1.26 -4.47 117.38 119.99 3knn n GLN 38 Ca -0.12 -0.17 0.00 0.00 -1.94 0.00 0.00 57.00 54.77 3knn n GLN 38 Cb 0.42 -0.67 0.00 0.00 0.11 0.00 0.00 30.24 30.11 3knn n GLN 38 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3knn n GLY 39 N 0.65 1.27 3.18 1.08 0.00 -0.11 -4.96 105.19 106.31 3knn n GLY 39 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 3knn n GLY 39 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3knn s ARG 40 N -0.04 0.28 0.01 1.61 0.52 -1.20 -2.30 118.95 117.84 3knn s ARG 40 Ca 0.00 0.93 -0.01 0.00 -0.52 0.00 0.00 55.73 56.14 3knn s ARG 40 Cb 0.00 0.19 -0.01 0.00 0.52 0.00 0.00 34.95 35.65 3knn s ARG 40 CO 0.00 -0.29 -0.01 0.14 0.02 0.00 0.00 175.30 175.17 3knn s VAL 41 N 2.56 0.08 0.12 3.52 -7.23 -1.20 -2.18 120.40 116.07 3knn s VAL 41 Ca -0.00 -0.62 0.08 0.00 -1.81 0.00 0.00 61.98 59.63 3knn s VAL 41 Cb -0.12 -0.20 -0.04 0.00 0.56 0.00 0.00 36.38 36.58 3knn s VAL 41 CO -0.12 -0.34 -0.20 -0.83 -0.31 0.00 0.00 175.10 173.30 3knn s GLY 42 N -1.01 1.26 -0.07 2.32 0.00 0.13 -2.27 107.32 107.68 3knn s GLY 42 Ca -0.11 -1.31 0.02 0.00 0.00 0.00 0.00 44.72 43.32 3knn s GLY 42 CO -0.01 -1.33 -0.12 -2.27 0.00 0.00 0.00 173.10 169.38 3knn s LEU 43 N -2.14 1.61 -0.10 0.66 2.96 -1.20 -2.19 118.68 118.29 3knn s LEU 43 Ca 0.09 -0.30 -0.08 0.00 -0.22 0.00 0.00 54.13 53.62 3knn s LEU 43 Cb -0.09 -0.82 0.03 0.00 0.50 0.00 0.00 46.19 45.81 3knn s LEU 43 CO 0.05 0.02 0.27 -0.83 -1.32 0.00 0.00 176.35 174.54 3knn s GLY 44 N 0.74 -0.19 -0.15 7.98 0.00 -1.03 -4.45 107.32 110.22 3knn s GLY 44 Ca -0.13 0.83 -0.07 0.00 0.00 0.00 0.00 44.72 45.35 3knn s GLY 44 CO 0.03 0.81 0.09 -0.12 0.00 0.00 0.00 173.10 173.90 3knn s PHE 45 N 0.41 3.37 -0.13 1.90 2.19 -1.26 -1.72 117.98 122.74 3knn s PHE 45 Ca -0.02 0.28 -0.00 0.00 0.33 0.00 0.00 56.93 57.51 3knn s PHE 45 Cb -0.04 -2.01 0.03 0.00 -1.31 0.00 0.00 43.02 39.69 3knn s PHE 45 CO -0.02 0.41 -0.08 0.20 1.83 0.00 0.00 175.22 177.56 3knn s GLY 46 N -0.25 0.89 -0.15 13.12 0.00 0.14 -4.75 107.32 116.32 3knn s GLY 46 Ca 0.09 -0.65 -0.08 0.00 0.00 0.00 0.00 44.72 44.09 3knn s GLY 46 CO 0.01 0.79 0.13 0.54 0.00 0.00 0.00 173.10 174.56 3knn s LYS 47 N 1.66 3.72 -0.12 2.90 3.01 -1.26 -0.08 119.74 129.58 3knn s LYS 47 Ca 0.04 -0.19 -0.30 0.00 -1.01 0.00 0.00 55.97 54.52 3knn s LYS 47 Cb -0.13 -3.26 0.12 0.00 -1.01 0.00 0.00 37.83 33.55 3knn s LYS 47 CO -0.09 0.57 0.96 0.00 0.51 0.00 0.00 175.35 177.30 3knn s ALA 48 N -0.44 -1.90 -1.30 5.17 0.00 0.16 -4.83 121.76 118.62 3knn s ALA 48 Ca 0.12 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.51 3knn s ALA 48 Cb -0.12 -0.38 0.00 0.00 0.00 0.00 0.00 23.12 22.63 3knn s ALA 48 CO 0.02 -0.41 0.43 -2.30 0.00 0.00 0.00 175.76 173.49 3knn n PRO 49 N 0.48 0.00 -3.55 0.00 -0.02 -1.26 -0.01 135.00 130.63 3knn n PRO 49 Ca -0.10 0.05 -0.11 0.00 -2.02 0.00 0.00 63.50 61.33 3knn n PRO 49 Cb 0.59 -1.52 -0.04 0.00 -0.02 0.00 0.00 33.50 32.50 3knn n PRO 49 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3knn s GLU 50 N -1.85 0.71 0.12 -0.52 2.56 -1.26 -4.76 118.70 113.70 3knn s GLU 50 Ca 0.00 0.02 -0.28 0.00 0.00 0.00 0.00 54.97 54.71 3knn s GLU 50 Cb 0.00 0.33 -0.09 0.00 2.00 0.00 0.00 34.13 36.38 3knn s GLU 50 CO 0.00 -0.25 1.47 -0.39 -0.56 0.00 0.00 175.26 175.53 3knn h VAL 51 N 2.43 0.00 0.00 3.70 -1.51 -1.93 -1.02 116.25 117.91 3knn h VAL 51 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 3knn h VAL 51 Cb 1.18 0.00 0.00 0.00 -2.13 0.00 0.00 31.29 30.34 3knn h VAL 51 CO 0.32 0.00 0.00 -2.65 -1.23 0.00 0.00 177.57 174.01 3knn n PRO 52 N -4.99 0.00 -0.30 5.19 -0.02 -1.26 -0.45 135.00 133.17 3knn n PRO 52 Ca -0.02 0.71 0.11 0.00 -2.02 0.00 0.00 63.50 62.28 3knn n PRO 52 Cb 0.27 -1.19 0.27 0.00 -0.02 0.00 0.00 33.50 32.84 3knn n PRO 52 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3knn h LEU 53 N 0.00 0.37 -0.32 2.45 4.07 -1.93 -1.59 115.31 118.36 3knn h LEU 53 Ca 0.00 0.13 -0.01 0.00 0.08 0.00 0.00 57.88 58.09 3knn h LEU 53 Cb 0.00 0.10 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 3knn h LEU 53 CO 0.00 0.07 0.18 0.00 -1.08 0.00 0.00 178.44 177.60 3knn h ALA 54 N 1.65 0.41 0.64 1.53 0.00 -0.12 0.29 119.26 123.67 3knn h ALA 54 Ca 0.52 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.33 3knn h ALA 54 Cb 0.91 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 3knn h ALA 54 CO -0.47 -0.07 -0.47 0.28 0.00 0.00 0.00 179.25 178.52 3knn h VAL 55 N 0.39 0.00 -0.17 0.00 2.07 0.21 0.57 116.25 119.32 3knn h VAL 55 Ca 0.11 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.68 3knn h VAL 55 Cb 0.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.76 3knn h VAL 55 CO -0.02 0.00 -0.29 -0.61 0.02 0.00 0.00 177.57 176.67 3knn h GLN 56 N -1.07 -0.33 -0.98 1.57 -0.00 -1.37 0.18 115.11 113.11 3knn h GLN 56 Ca -0.08 0.02 0.20 0.00 -0.00 0.00 0.00 58.65 58.79 3knn h GLN 56 Cb 0.88 0.08 -0.11 0.00 0.00 0.00 0.00 27.48 28.33 3knn h GLN 56 CO 0.03 -0.22 0.58 -0.22 0.00 0.00 0.00 178.83 179.00 3knn h LYS 57 N -0.34 0.67 0.00 1.69 3.64 -0.23 -0.09 116.57 121.91 3knn h LYS 57 Ca 0.11 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 3knn h LYS 57 Cb 0.51 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.18 3knn h LYS 57 CO -0.36 0.44 0.00 0.00 -2.27 0.00 0.00 179.45 177.26 3knn n ALA 58 N -2.34 -0.11 -0.36 5.00 0.00 0.20 -1.90 120.51 121.00 3knn n ALA 58 Ca 0.23 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.00 3knn n ALA 58 Cb 0.60 0.03 0.56 0.00 0.00 0.00 0.00 19.45 20.64 3knn n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knn n GLY 59 N -0.66 -0.70 0.29 0.00 0.00 -0.44 -0.88 105.19 102.81 3knn n GLY 59 Ca 0.00 0.69 -0.11 0.00 0.00 0.00 0.00 46.02 46.59 3knn n GLY 59 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 3knn h TYR 60 N 0.00 -0.71 -0.93 1.61 3.20 -0.73 -2.28 116.97 117.14 3knn h TYR 60 Ca 0.76 -0.01 0.22 0.00 3.14 0.00 0.00 58.73 62.84 3knn h TYR 60 Cb 2.27 0.24 -0.07 0.00 1.54 0.00 0.00 36.73 40.71 3knn h TYR 60 CO -0.01 -0.43 0.62 1.88 -1.64 0.00 0.00 178.16 178.58 3knn h TYR 61 N -0.73 0.49 0.00 -3.82 0.05 -0.29 -2.35 116.97 110.33 3knn h TYR 61 Ca -0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.72 3knn h TYR 61 Cb 0.56 -0.15 0.00 0.00 1.01 0.00 0.00 36.73 38.16 3knn h TYR 61 CO 0.07 0.11 0.00 0.00 -1.05 0.00 0.00 178.16 177.29 3knn n ALA 62 N -2.53 -0.13 -0.61 3.88 0.00 -0.67 -1.90 120.51 118.54 3knn n ALA 62 Ca 0.20 0.00 0.46 0.00 0.00 0.00 0.00 53.44 54.10 3knn n ALA 62 Cb 0.76 0.20 0.70 0.00 0.00 0.00 0.00 19.45 21.12 3knn n ALA 62 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knn n ARG 63 N -1.75 -0.00 0.00 0.00 1.74 -0.89 0.36 116.66 116.12 3knn n ARG 63 Ca 0.00 0.93 0.09 0.00 -0.77 0.00 0.00 57.85 58.11 3knn n ARG 63 Cb 0.00 -2.15 0.42 0.00 -1.02 0.00 0.00 32.46 29.71 3knn n ARG 63 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 3knn n ARG 64 N -3.67 0.04 -3.76 5.56 5.12 -0.80 -4.33 116.66 114.82 3knn n ARG 64 Ca 0.38 0.16 -0.29 0.00 -1.93 0.00 0.00 57.85 56.18 3knn n ARG 64 Cb 1.72 -1.50 -0.16 0.00 -1.16 0.00 0.00 32.46 31.37 3knn n ARG 64 CO 0.00 0.00 0.00 1.21 -1.93 0.00 0.00 177.63 176.91 3knn s ASN 65 N -2.94 3.44 0.00 0.55 2.47 1.14 -5.13 114.94 114.48 3knn s ASN 65 Ca 0.10 -1.16 0.00 0.00 0.42 0.00 0.00 52.86 52.22 3knn s ASN 65 Cb 0.13 -0.77 0.00 0.00 -1.45 0.00 0.00 41.25 39.16 3knn s ASN 65 CO 0.34 -0.34 0.00 0.23 -3.72 0.00 0.00 177.10 173.61 3knn n MET 66 N 4.93 2.37 -3.64 0.43 2.81 -1.26 -3.21 117.12 119.54 3knn n MET 66 Ca -0.07 0.00 -0.05 0.00 -1.81 0.00 0.00 57.70 55.77 3knn n MET 66 Cb 0.45 0.00 -0.07 0.00 -0.71 0.00 0.00 33.22 32.89 3knn n MET 66 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 3knn s VAL 67 N -0.54 0.00 -0.10 2.03 0.11 -0.96 -4.87 120.40 116.07 3knn s VAL 67 Ca 0.00 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.76 3knn s VAL 67 Cb 0.00 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 33.84 3knn s VAL 67 CO 0.00 0.00 0.98 -1.83 -3.33 0.00 0.00 175.10 170.92 3knn s GLU 68 N 0.41 4.42 -0.64 1.54 4.04 -1.26 -3.28 118.70 123.92 3knn s GLU 68 Ca 0.02 1.34 -0.02 0.00 0.04 0.00 0.00 54.97 56.34 3knn s GLU 68 Cb -0.04 -3.54 0.16 0.00 0.02 0.00 0.00 34.13 30.73 3knn s GLU 68 CO -0.11 -0.29 0.46 0.08 -1.84 0.00 0.00 175.26 173.56 3knn s VAL 69 N 1.92 3.69 -0.75 1.83 1.01 -0.97 -4.69 120.40 122.43 3knn s VAL 69 Ca 0.47 -3.08 -0.26 0.00 0.00 0.00 0.00 61.98 59.12 3knn s VAL 69 Cb -0.18 -3.40 -0.16 0.00 0.00 0.00 0.00 36.38 32.64 3knn s VAL 69 CO 0.18 -0.89 2.48 -2.65 0.00 0.00 0.00 175.10 174.22 3knn n PRO 70 N 3.34 0.52 -2.99 2.72 -0.02 -1.26 -4.74 135.00 132.57 3knn n PRO 70 Ca 0.09 -0.12 -0.44 0.00 -2.02 0.00 0.00 63.50 61.00 3knn n PRO 70 Cb 0.37 -2.59 -0.03 0.00 -0.02 0.00 0.00 33.50 31.23 3knn n PRO 70 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3knn s LEU 71 N 10.26 5.09 -1.43 2.45 1.43 -1.26 -3.77 118.68 131.45 3knn s LEU 71 Ca 1.13 -1.61 -0.14 0.00 -1.03 0.00 0.00 54.13 52.49 3knn s LEU 71 Cb -0.60 -2.36 0.06 0.00 0.03 0.00 0.00 46.19 43.32 3knn s LEU 71 CO 0.34 -1.15 2.17 0.00 0.23 0.00 0.00 176.35 177.94 3knn n GLN 72 N 6.62 2.96 -1.43 1.70 1.13 -0.59 -4.58 117.38 123.20 3knn n GLN 72 Ca 0.05 -2.74 0.00 0.00 -1.94 0.00 0.00 57.00 52.37 3knn n GLN 72 Cb 0.46 -3.25 0.00 0.00 0.11 0.00 0.00 30.24 27.56 3knn n GLN 72 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3knn n ASN 73 N 5.91 -4.69 -0.19 1.08 4.05 -1.26 -4.24 115.26 115.92 3knn n ASN 73 Ca 0.50 0.65 0.00 0.00 0.45 0.00 0.00 54.58 56.18 3knn n ASN 73 Cb 0.39 -2.50 0.00 0.00 1.23 0.00 0.00 39.78 38.90 3knn n ASN 73 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3knn n GLY 74 N 0.66 0.00 3.57 8.20 0.00 -1.26 -4.69 105.19 111.67 3knn n GLY 74 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 3knn n GLY 74 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3knn s THR 75 N -0.19 0.00 0.28 2.61 -1.32 -1.26 0.19 115.64 115.95 3knn s THR 75 Ca 0.00 -1.45 -0.14 0.00 -1.21 0.00 0.00 61.69 58.89 3knn s THR 75 Cb 0.00 -2.50 -0.08 0.00 -1.51 0.00 0.00 72.50 68.41 3knn s THR 75 CO 0.00 0.00 0.67 -0.51 -2.21 0.00 0.00 174.62 172.57 3knn s ILE 76 N -3.36 4.75 0.07 5.08 2.07 -1.26 -1.54 121.20 127.01 3knn s ILE 76 Ca 0.25 0.84 -0.21 0.00 -1.41 0.00 0.00 60.65 60.13 3knn s ILE 76 Cb -0.01 -3.64 -0.08 0.00 0.13 0.00 0.00 42.46 38.85 3knn s ILE 76 CO 0.14 -0.09 1.33 1.55 -1.91 0.00 0.00 174.94 175.97 3knn h PRO 77 N 2.54 -0.39 0.00 3.50 0.13 -1.83 -3.43 132.00 132.52 3knn h PRO 77 Ca -0.48 0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 3knn h PRO 77 Cb 1.18 0.09 0.00 0.00 0.13 0.00 0.00 31.00 32.39 3knn h PRO 77 CO 0.66 -0.26 0.00 -2.39 -0.23 0.00 0.00 178.00 175.79 3knn n HIS 78 N -4.28 0.00 -4.38 1.56 1.44 -1.26 -4.96 115.22 103.34 3knn n HIS 78 Ca -0.04 0.00 -0.33 0.00 -2.01 0.00 0.00 57.72 55.34 3knn n HIS 78 Cb 0.24 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.19 3knn n HIS 78 CO 0.00 0.00 0.00 -1.83 -2.81 0.00 0.00 176.34 171.70 3knn s GLU 79 N 1.22 3.10 0.03 -1.40 4.04 -1.26 -3.89 118.70 120.56 3knn s GLU 79 Ca 0.00 -0.79 0.01 0.00 0.04 0.00 0.00 54.97 54.23 3knn s GLU 79 Cb 0.00 -2.59 -0.02 0.00 0.02 0.00 0.00 34.13 31.54 3knn s GLU 79 CO 0.00 -0.09 -0.05 0.96 -1.84 0.00 0.00 175.26 174.24 3knn s ILE 80 N 1.03 0.28 -0.10 1.83 -4.36 -0.15 -4.96 121.20 114.78 3knn s ILE 80 Ca -0.01 -0.99 0.02 0.00 -0.26 0.00 0.00 60.65 59.41 3knn s ILE 80 Cb -0.15 -0.42 0.01 0.00 1.25 0.00 0.00 42.46 43.16 3knn s ILE 80 CO -0.05 -0.46 -0.17 -1.61 0.24 0.00 0.00 174.94 172.89 3knn s GLU 81 N -1.55 2.29 -0.06 0.37 2.02 -1.26 0.45 118.70 120.96 3knn s GLU 81 Ca -0.13 -0.60 0.06 0.00 0.02 0.00 0.00 54.97 54.31 3knn s GLU 81 Cb -0.10 -1.87 -0.01 0.00 0.10 0.00 0.00 34.13 32.26 3knn s GLU 81 CO -0.01 0.02 -0.24 0.08 0.02 0.00 0.00 175.26 175.13 3knn s VAL 82 N 0.74 2.15 -0.31 2.63 1.01 -0.65 -4.96 120.40 121.02 3knn s VAL 82 Ca -0.12 -1.03 -0.06 0.00 0.00 0.00 0.00 61.98 60.78 3knn s VAL 82 Cb -0.16 -1.79 0.03 0.00 0.00 0.00 0.00 36.38 34.46 3knn s VAL 82 CO 0.02 0.57 0.07 -0.70 0.00 0.00 0.00 175.10 175.06 3knn s GLU 83 N -0.16 2.78 -0.62 2.72 2.12 -1.26 -1.79 118.70 122.48 3knn s GLU 83 Ca -0.03 -1.06 -0.13 0.00 0.36 0.00 0.00 54.97 54.10 3knn s GLU 83 Cb -0.14 -3.36 0.16 0.00 0.26 0.00 0.00 34.13 31.05 3knn s GLU 83 CO 0.04 -0.56 0.55 0.12 -0.54 0.00 0.00 175.26 174.87 3knn s PHE 84 N 1.41 3.45 0.00 5.30 5.36 0.28 -4.96 117.98 128.83 3knn s PHE 84 Ca -0.00 -1.71 0.00 0.00 -0.96 0.00 0.00 56.93 54.26 3knn s PHE 84 Cb -0.18 -3.71 0.00 0.00 -0.34 0.00 0.00 43.02 38.78 3knn s PHE 84 CO 0.02 -0.99 0.00 0.41 -1.46 0.00 0.00 175.22 173.19 3knn n GLY 85 N 4.68 1.25 0.02 13.12 0.00 -1.26 -1.38 105.19 121.61 3knn n GLY 85 Ca -0.03 0.34 0.11 0.00 0.00 0.00 0.00 46.02 46.44 3knn n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3knn n ALA 86 N 9.32 3.25 -2.39 4.61 0.00 -1.26 -4.92 120.51 129.12 3knn n ALA 86 Ca 0.00 -0.51 -0.34 0.00 0.00 0.00 0.00 53.44 52.59 3knn n ALA 86 Cb 0.00 -0.79 -0.06 0.00 0.00 0.00 0.00 19.45 18.60 3knn n ALA 86 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3knn s SER 87 N -4.20 6.75 0.06 0.00 0.01 -0.48 -0.08 113.70 115.75 3knn s SER 87 Ca -0.03 1.00 -0.05 0.00 1.31 0.00 0.00 55.95 58.18 3knn s SER 87 Cb 0.14 -2.26 -0.02 0.00 0.21 0.00 0.00 66.02 64.09 3knn s SER 87 CO 0.89 0.05 0.08 -0.75 0.41 0.00 0.00 173.24 173.92 3knn s LYS 88 N -2.23 0.67 0.03 12.44 2.20 0.37 -0.55 119.74 132.66 3knn s LYS 88 Ca 0.40 -0.97 -0.10 0.00 -0.36 0.00 0.00 55.97 54.94 3knn s LYS 88 Cb -0.14 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.44 3knn s LYS 88 CO 0.20 -0.17 0.21 -1.50 -0.36 0.00 0.00 175.35 173.73 3knn s ILE 89 N -3.40 0.10 -0.08 5.43 2.07 -0.74 -1.73 121.20 122.84 3knn s ILE 89 Ca 0.02 -0.82 0.04 0.00 -1.41 0.00 0.00 60.65 58.48 3knn s ILE 89 Cb 0.04 -0.84 -0.00 0.00 0.13 0.00 0.00 42.46 41.78 3knn s ILE 89 CO -0.08 -0.45 -0.22 0.68 -1.91 0.00 0.00 174.94 172.96 3knn s VAL 90 N -2.35 1.88 -0.35 4.00 -7.23 -1.10 -1.64 120.40 113.61 3knn s VAL 90 Ca -0.07 -0.93 0.03 0.00 -1.81 0.00 0.00 61.98 59.20 3knn s VAL 90 Cb -0.02 -1.63 0.10 0.00 0.56 0.00 0.00 36.38 35.39 3knn s VAL 90 CO -0.03 0.52 0.08 -0.76 -0.31 0.00 0.00 175.10 174.60 3knn s LEU 91 N 0.27 4.83 -0.30 1.32 1.02 0.17 -3.38 118.68 122.61 3knn s LEU 91 Ca -0.15 -2.16 -0.05 0.00 0.02 0.00 0.00 54.13 51.79 3knn s LEU 91 Cb -0.16 -1.66 0.03 0.00 0.02 0.00 0.00 46.19 44.41 3knn s LEU 91 CO 0.07 -0.40 0.05 -0.75 0.02 0.00 0.00 176.35 175.34 3knn s LYS 92 N 0.91 2.81 0.39 1.70 2.20 0.68 -0.98 119.74 127.45 3knn s LYS 92 Ca 0.11 -1.03 -0.27 0.00 -0.36 0.00 0.00 55.97 54.42 3knn s LYS 92 Cb -0.20 -3.31 -0.10 0.00 -1.51 0.00 0.00 37.83 32.72 3knn s LYS 92 CO -0.07 -0.53 1.40 -1.25 -0.36 0.00 0.00 175.35 174.54 3knn s PRO 93 N 1.41 4.01 0.21 4.03 0.04 -1.25 -0.25 135.00 143.19 3knn s PRO 93 Ca -0.00 2.39 0.11 0.00 0.04 0.00 0.00 61.00 63.54 3knn s PRO 93 Cb -0.18 -2.86 -0.05 0.00 0.04 0.00 0.00 34.50 31.45 3knn s PRO 93 CO 0.01 -0.54 -0.21 0.00 0.04 0.00 0.00 177.00 176.30 3knn s ALA 94 N -1.17 2.63 0.67 8.56 0.00 -1.16 -4.75 121.76 126.54 3knn s ALA 94 Ca 0.55 -1.67 -0.12 0.00 0.00 0.00 0.00 51.96 50.72 3knn s ALA 94 Cb -0.43 -0.37 -0.00 0.00 0.00 0.00 0.00 23.12 22.32 3knn s ALA 94 CO 0.57 0.40 1.06 0.00 0.00 0.00 0.00 175.76 177.79 3knn s ALA 95 N -1.85 2.69 0.91 0.00 0.00 -1.26 -4.64 121.76 117.61 3knn s ALA 95 Ca 0.23 0.15 -0.21 0.00 0.00 0.00 0.00 51.96 52.13 3knn s ALA 95 Cb -0.07 -3.19 -0.16 0.00 0.00 0.00 0.00 23.12 19.70 3knn s ALA 95 CO 0.12 -1.14 -1.08 -2.30 0.00 0.00 0.00 175.76 171.35 3knn n PRO 96 N -2.91 0.00 -1.10 0.00 -0.02 -1.26 -2.68 135.00 127.04 3knn n PRO 96 Ca 0.08 0.00 -0.08 0.00 -2.02 0.00 0.00 63.50 61.48 3knn n PRO 96 Cb 0.53 -0.91 -0.03 0.00 -0.02 0.00 0.00 33.50 33.07 3knn n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knn n GLY 97 N 3.20 0.76 0.13 -1.23 0.00 -1.26 -4.76 105.19 102.03 3knn n GLY 97 Ca -0.02 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.78 3knn n GLY 97 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3knn h THR 98 N 0.00 1.35 0.00 2.61 2.02 -1.80 -3.51 112.91 113.58 3knn h THR 98 Ca -0.16 -2.61 0.00 0.00 0.77 0.00 0.00 66.41 64.41 3knn h THR 98 Cb 0.69 3.08 0.00 0.00 -1.74 0.00 0.00 68.15 70.18 3knn h THR 98 CO 0.24 0.77 0.00 0.61 0.37 0.00 0.00 175.52 177.51 3knn n GLY 99 N 1.71 -1.82 3.55 2.16 0.00 -1.14 -4.78 105.19 104.88 3knn n GLY 99 Ca -0.17 -1.30 -0.39 0.00 0.00 0.00 0.00 46.02 44.16 3knn n GLY 99 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 100 N -2.37 3.63 -0.29 1.61 1.01 0.04 -3.69 120.40 120.34 3knn s VAL 100 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.93 3knn s VAL 100 Cb 0.00 -4.60 -0.02 0.00 0.00 0.00 0.00 36.38 31.76 3knn s VAL 100 CO 0.00 -1.53 0.45 0.27 0.00 0.00 0.00 175.10 174.29 3knn s ILE 101 N 6.91 5.10 0.07 2.22 -0.00 -1.12 -4.96 121.20 129.42 3knn s ILE 101 Ca 0.48 0.61 -0.21 0.00 -0.00 0.00 0.00 60.65 61.53 3knn s ILE 101 Cb -0.08 -3.81 0.07 0.00 -0.00 0.00 0.00 42.46 38.64 3knn s ILE 101 CO 0.12 0.04 0.98 0.00 -0.00 0.00 0.00 174.94 176.07 3knn n ALA 102 N 5.50 -2.68 -2.11 2.27 0.00 -1.26 -3.47 120.51 118.76 3knn n ALA 102 Ca -0.06 -0.78 -0.29 0.00 0.00 0.00 0.00 53.44 52.31 3knn n ALA 102 Cb 0.50 0.31 -0.00 0.00 0.00 0.00 0.00 19.45 20.26 3knn n ALA 102 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3knn s GLY 103 N -3.44 1.65 0.07 0.00 0.00 -1.26 -4.80 107.32 99.54 3knn s GLY 103 Ca 0.23 -0.29 -0.14 0.00 0.00 0.00 0.00 44.72 44.52 3knn s GLY 103 CO 0.02 -0.08 0.74 0.00 0.00 0.00 0.00 173.10 173.78 3knn n ALA 104 N -2.20 -0.29 0.36 3.20 0.00 -1.26 -1.51 120.51 118.80 3knn n ALA 104 Ca 0.03 0.39 -0.14 0.00 0.00 0.00 0.00 53.44 53.72 3knn n ALA 104 Cb 0.55 -0.05 -0.07 0.00 0.00 0.00 0.00 19.45 19.88 3knn n ALA 104 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3knn h VAL 105 N 0.00 0.00 -0.09 0.00 2.07 -1.95 0.80 116.25 117.08 3knn h VAL 105 Ca 0.07 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.58 3knn h VAL 105 Cb 0.19 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 29.95 3knn h VAL 105 CO -0.43 0.00 0.24 1.55 0.02 0.00 0.00 177.57 178.95 3knn h PRO 106 N -0.95 0.00 0.00 1.57 0.13 -1.79 -2.43 132.00 128.53 3knn h PRO 106 Ca -0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.04 3knn h PRO 106 Cb 0.70 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.83 3knn h PRO 106 CO 0.15 0.00 -0.03 -0.09 -0.23 0.00 0.00 178.00 177.80 3knn h ARG 107 N 0.00 0.00 -0.81 0.86 2.43 -1.18 -2.42 114.38 113.26 3knn h ARG 107 Ca 0.04 0.00 0.23 0.00 -0.81 0.00 0.00 59.98 59.45 3knn h ARG 107 Cb 0.52 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.03 3knn h ARG 107 CO -0.00 0.00 0.69 0.00 -1.51 0.00 0.00 179.97 179.15 3knn n ALA 108 N -2.41 0.78 -0.11 2.80 0.00 0.27 0.17 120.51 122.00 3knn n ALA 108 Ca -0.00 0.27 -0.20 0.00 0.00 0.00 0.00 53.44 53.50 3knn n ALA 108 Cb 0.02 -0.46 -0.08 0.00 0.00 0.00 0.00 19.45 18.92 3knn n ALA 108 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3knn n ILE 109 N -2.68 1.51 0.33 0.00 5.41 -1.05 -4.37 119.36 118.50 3knn n ILE 109 Ca 0.18 -0.11 0.18 0.00 1.00 0.00 0.00 62.75 64.01 3knn n ILE 109 Cb 0.93 -2.09 0.97 0.00 -0.71 0.00 0.00 39.64 38.74 3knn n ILE 109 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 3knn h LEU 110 N -1.00 0.00 0.00 1.39 3.38 0.22 -0.75 115.31 118.55 3knn h LEU 110 Ca -0.38 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.59 3knn h LEU 110 Cb 1.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.02 3knn h LEU 110 CO -0.23 0.00 -0.07 1.05 0.09 0.00 0.00 178.44 179.28 3knn h GLU 111 N 0.00 0.00 0.00 1.13 4.11 -1.31 -2.62 114.58 115.90 3knn h GLU 111 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.44 3knn h GLU 111 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3knn h GLU 111 CO -0.00 0.07 0.00 1.28 0.07 0.00 0.00 179.01 180.43 3knn n LEU 112 N -4.75 0.00 0.08 3.06 4.77 -1.06 -0.09 117.00 119.01 3knn n LEU 112 Ca -0.02 0.39 -0.14 0.00 -0.03 0.00 0.00 56.01 56.21 3knn n LEU 112 Cb 0.06 -0.39 -0.07 0.00 -2.33 0.00 0.00 43.42 40.70 3knn n LEU 112 CO 0.03 -0.38 0.13 0.00 -1.33 0.00 0.00 177.39 175.84 3knn h ALA 113 N 2.03 0.30 0.00 -1.18 0.00 -1.16 0.03 119.26 119.27 3knn h ALA 113 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 54.91 54.16 3knn h ALA 113 Cb 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3knn h ALA 113 CO 0.00 0.85 0.00 0.41 0.00 0.00 0.00 179.25 180.51 3knn n GLY 114 N 1.09 1.96 3.72 0.00 0.00 0.87 -0.93 105.19 111.90 3knn n GLY 114 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.63 3knn n GLY 114 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3knn s VAL 115 N -2.00 4.30 0.00 1.61 1.01 -0.99 -4.46 120.40 119.87 3knn s VAL 115 Ca 0.00 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.26 3knn s VAL 115 Cb 0.00 -3.01 0.00 0.00 0.00 0.00 0.00 36.38 33.37 3knn s VAL 115 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 175.10 175.74 3knn n THR 116 N 0.88 0.00 -3.89 3.92 -1.04 0.50 -4.56 114.28 110.09 3knn n THR 116 Ca -0.12 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.59 3knn n THR 116 Cb 0.52 -0.41 -0.15 0.00 -1.82 0.00 0.00 70.33 68.47 3knn n THR 116 CO 0.00 0.00 0.00 -1.81 -0.64 0.00 0.00 175.07 172.62 3knn s ASP 117 N -2.80 4.34 -0.07 8.00 1.01 -0.11 -0.78 116.67 126.26 3knn s ASP 117 Ca 0.00 -1.82 -0.14 0.00 0.71 0.00 0.00 52.55 51.31 3knn s ASP 117 Cb 0.00 -1.25 0.03 0.00 1.01 0.00 0.00 42.92 42.71 3knn s ASP 117 CO 0.00 -0.38 0.34 -0.51 0.21 0.00 0.00 175.17 174.83 3knn s ILE 118 N 1.26 0.03 -0.18 0.77 1.10 -1.24 -3.00 121.20 119.94 3knn s ILE 118 Ca 0.08 -0.23 -0.04 0.00 -0.51 0.00 0.00 60.65 59.95 3knn s ILE 118 Cb -0.18 -0.56 -0.02 0.00 0.15 0.00 0.00 42.46 41.84 3knn s ILE 118 CO -0.15 -0.13 -0.02 -0.76 -2.11 0.00 0.00 174.94 171.77 3knn s LEU 119 N -0.57 3.22 0.10 8.50 1.43 0.65 -2.80 118.68 129.22 3knn s LEU 119 Ca -0.07 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 52.81 3knn s LEU 119 Cb -0.04 -1.80 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 3knn s LEU 119 CO 0.02 0.11 0.11 0.42 0.23 0.00 0.00 176.35 177.24 3knn s THR 120 N 0.73 0.14 -0.25 5.49 -4.23 -1.23 -0.23 115.64 116.06 3knn s THR 120 Ca -0.01 -1.61 -0.15 0.00 -1.18 0.00 0.00 61.69 58.74 3knn s THR 120 Cb -0.14 -1.69 0.07 0.00 1.34 0.00 0.00 72.50 72.07 3knn s THR 120 CO 0.02 -0.62 0.62 -0.75 -0.54 0.00 0.00 174.62 173.34 3knn s LYS 121 N -3.95 0.64 -0.33 3.99 2.47 -1.22 -4.75 119.74 116.59 3knn s LYS 121 Ca 0.13 1.08 -0.26 0.00 -1.56 0.00 0.00 55.97 55.36 3knn s LYS 121 Cb 0.06 0.13 0.01 0.00 -1.46 0.00 0.00 37.83 36.57 3knn s LYS 121 CO -0.05 -0.14 0.94 -1.21 0.16 0.00 0.00 175.35 175.04 3knn s GLU 122 N 1.40 3.95 -0.05 4.03 2.02 -1.26 -2.73 118.70 126.06 3knn s GLU 122 Ca -0.08 0.75 0.06 0.00 0.02 0.00 0.00 54.97 55.72 3knn s GLU 122 Cb -0.06 -3.76 -0.01 0.00 0.10 0.00 0.00 34.13 30.40 3knn s GLU 122 CO -0.15 -0.85 -0.24 -0.51 0.02 0.00 0.00 175.26 173.52 3knn s LEU 123 N 3.38 2.12 0.00 1.80 1.43 -0.70 -5.00 118.68 121.70 3knn s LEU 123 Ca 0.39 -0.48 0.00 0.00 -1.03 0.00 0.00 54.13 53.01 3knn s LEU 123 Cb -0.13 -1.38 0.00 0.00 0.03 0.00 0.00 46.19 44.72 3knn s LEU 123 CO 0.16 0.27 0.00 0.61 0.23 0.00 0.00 176.35 177.62 3knn n GLY 124 N 2.77 0.77 3.67 -3.19 0.00 -1.26 -0.48 105.19 107.46 3knn n GLY 124 Ca -0.17 -1.25 -0.43 0.00 0.00 0.00 0.00 46.02 44.17 3knn n GLY 124 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3knn s SER 125 N -4.00 7.03 -0.03 1.61 0.15 0.88 -4.89 113.70 114.45 3knn s SER 125 Ca 0.00 1.68 0.09 0.00 0.70 0.00 0.00 55.95 58.42 3knn s SER 125 Cb 0.00 -2.55 0.32 0.00 -1.71 0.00 0.00 66.02 62.08 3knn s SER 125 CO 0.00 -0.66 1.18 0.54 1.20 0.00 0.00 173.24 175.50 3knn n ARG 126 N 5.94 2.09 -1.61 5.44 1.74 -1.26 -4.00 116.66 124.99 3knn n ARG 126 Ca 0.12 -1.27 -0.45 0.00 -0.77 0.00 0.00 57.85 55.48 3knn n ARG 126 Cb 0.46 -1.45 -0.04 0.00 -1.02 0.00 0.00 32.46 30.41 3knn n ARG 126 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3knn n ASN 127 N 0.41 3.34 -0.26 0.55 2.85 -1.26 -4.84 115.26 116.05 3knn n ASN 127 Ca 0.12 0.57 -0.07 0.00 -0.11 0.00 0.00 54.58 55.09 3knn n ASN 127 Cb 0.41 -1.46 -0.06 0.00 1.24 0.00 0.00 39.78 39.91 3knn n ASN 127 CO 0.00 0.00 0.00 -2.65 -2.11 0.00 0.00 177.26 172.50 3knn n PRO 128 N 7.92 -0.27 0.05 1.20 -0.02 -1.26 -1.09 135.00 141.54 3knn n PRO 128 Ca 0.28 0.94 -0.12 0.00 -2.02 0.00 0.00 63.50 62.58 3knn n PRO 128 Cb 0.37 -1.39 -0.08 0.00 -0.02 0.00 0.00 33.50 32.39 3knn n PRO 128 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3knn h ILE 129 N 0.00 0.00 0.00 4.25 2.04 -2.00 0.59 117.51 122.39 3knn h ILE 129 Ca 0.10 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3knn h ILE 129 Cb 0.26 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.34 3knn h ILE 129 CO -0.59 0.00 -0.06 0.78 0.00 0.00 0.00 178.15 178.28 3knn h ASN 130 N -0.53 0.00 0.29 1.72 2.35 -1.75 -0.36 115.58 117.29 3knn h ASN 130 Ca 0.00 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 3knn h ASN 130 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3knn h ASN 130 CO -0.26 0.06 -0.14 0.40 -1.65 0.00 0.00 177.43 175.84 3knn h ILE 131 N 0.00 0.72 -0.06 2.81 1.08 -0.32 -0.50 117.51 121.24 3knn h ILE 131 Ca -0.00 -0.64 0.01 0.00 -0.39 0.00 0.00 64.86 63.84 3knn h ILE 131 Cb 0.19 1.04 -0.03 0.00 -3.07 0.00 0.00 36.82 34.96 3knn h ILE 131 CO 0.01 0.12 -0.22 0.00 -0.69 0.00 0.00 178.15 177.37 3knn h ALA 132 N -0.20 -0.61 -0.82 1.87 0.00 0.24 -0.19 119.26 119.55 3knn h ALA 132 Ca -0.04 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.00 3knn h ALA 132 Cb 0.50 0.75 -0.15 0.00 0.00 0.00 0.00 17.79 18.89 3knn h ALA 132 CO 0.06 -0.69 -0.26 1.88 0.00 0.00 0.00 179.25 180.24 3knn h TYR 133 N -0.23 -0.63 -0.25 0.00 -1.99 -1.15 0.87 116.97 113.59 3knn h TYR 133 Ca 0.01 0.08 0.06 0.00 2.00 0.00 0.00 58.73 60.88 3knn h TYR 133 Cb 0.27 0.40 -0.06 0.00 2.00 0.00 0.00 36.73 39.35 3knn h TYR 133 CO -0.50 -0.37 -0.12 0.00 -0.00 0.00 0.00 178.16 177.16 3knn h ALA 134 N 1.61 0.08 -0.16 3.88 0.00 -0.38 -1.79 119.26 122.50 3knn h ALA 134 Ca 0.36 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.39 3knn h ALA 134 Cb 0.60 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.64 3knn h ALA 134 CO -0.85 -0.53 -0.31 1.15 0.00 0.00 0.00 179.25 178.71 3knn h THR 135 N -0.09 0.00 -0.62 0.00 2.02 0.95 -1.71 112.91 113.46 3knn h THR 135 Ca 0.13 0.00 0.06 0.00 0.77 0.00 0.00 66.41 67.37 3knn h THR 135 Cb 0.29 0.00 -0.07 0.00 -1.74 0.00 0.00 68.15 66.63 3knn h THR 135 CO -0.31 0.00 -0.36 0.23 0.37 0.00 0.00 175.52 175.45 3knn n MET 136 N -4.17 -0.27 -0.33 6.66 2.00 -0.63 0.13 117.12 120.52 3knn n MET 136 Ca -0.03 1.15 0.25 0.00 0.00 0.00 0.00 57.70 59.07 3knn n MET 136 Cb 0.20 -1.70 0.48 0.00 0.00 0.00 0.00 33.22 32.19 3knn n MET 136 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 3knn h GLU 137 N 0.00 0.16 0.11 0.03 4.39 -0.51 0.56 114.58 119.32 3knn h GLU 137 Ca 0.10 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.78 3knn h GLU 137 Cb 0.25 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 3knn h GLU 137 CO -0.58 0.10 -0.07 0.00 -1.16 0.00 0.00 179.01 177.30 3knn h ALA 138 N 1.91 -0.92 -0.13 3.43 0.00 0.17 -2.51 119.26 121.21 3knn h ALA 138 Ca 0.74 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.63 3knn h ALA 138 Cb 1.77 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.76 3knn h ALA 138 CO -0.70 -0.92 -0.08 -0.07 0.00 0.00 0.00 179.25 177.48 3knn h LEU 139 N -0.18 -0.29 -0.37 0.00 3.38 -0.81 0.39 115.31 117.43 3knn h LEU 139 Ca -0.01 0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.11 3knn h LEU 139 Cb 0.14 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3knn h LEU 139 CO 0.01 -0.03 0.88 -1.14 0.09 0.00 0.00 178.44 178.24 3knn n ARG 140 N -3.29 0.02 -0.05 1.13 0.63 0.05 0.82 116.66 115.96 3knn n ARG 140 Ca 0.00 0.78 -0.01 0.00 -0.92 0.00 0.00 57.85 57.70 3knn n ARG 140 Cb 0.04 -2.04 -0.13 0.00 0.45 0.00 0.00 32.46 30.78 3knn n ARG 140 CO 0.00 0.00 0.00 1.04 -2.51 0.00 0.00 177.63 176.16 3knn n GLN 141 N -2.42 1.04 -1.42 -0.14 6.02 0.13 -4.98 117.38 115.61 3knn n GLN 141 Ca 0.08 -0.07 -0.47 0.00 -0.01 0.00 0.00 57.00 56.53 3knn n GLN 141 Cb 0.99 -1.41 -0.14 0.00 1.02 0.00 0.00 30.24 30.70 3knn n GLN 141 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3knn n LEU 142 N -2.40 0.44 -4.91 1.08 4.77 0.24 -4.92 117.00 111.31 3knn n LEU 142 Ca -0.17 0.35 -0.28 0.00 -0.03 0.00 0.00 56.01 55.88 3knn n LEU 142 Cb 0.80 -0.91 0.07 0.00 -2.33 0.00 0.00 43.42 41.04 3knn n LEU 142 CO 0.35 -0.74 0.70 -0.13 -1.33 0.00 0.00 177.39 176.24 3knn s ARG 143 N 7.99 2.33 0.26 3.23 1.81 -1.26 -4.73 118.95 128.58 3knn s ARG 143 Ca 1.31 0.07 0.10 0.00 -1.72 0.00 0.00 55.73 55.48 3knn s ARG 143 Cb -1.34 -2.07 -0.04 0.00 -0.45 0.00 0.00 34.95 31.05 3knn s ARG 143 CO 0.55 -1.27 -0.03 0.95 -0.68 0.00 0.00 175.30 174.82 3knn s THR 144 N -3.37 3.36 0.58 0.02 -4.23 -1.26 -4.55 115.64 106.18 3knn s THR 144 Ca 0.60 -1.92 0.28 0.00 -1.18 0.00 0.00 61.69 59.47 3knn s THR 144 Cb -0.11 -2.78 0.37 0.00 1.34 0.00 0.00 72.50 71.33 3knn s THR 144 CO 0.48 -0.35 2.02 0.50 -0.54 0.00 0.00 174.62 176.73 3knn h LYS 145 N 2.03 0.00 0.00 3.99 3.11 -1.98 -2.93 116.57 120.78 3knn h LYS 145 Ca -0.44 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 3knn h LYS 145 Cb 1.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.48 3knn h LYS 145 CO 0.60 0.00 0.00 0.00 -2.81 0.00 0.00 179.45 177.24 3knn n ALA 146 N -2.40 0.00 -0.03 5.00 0.00 -1.26 -3.47 120.51 118.35 3knn n ALA 146 Ca 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.49 3knn n ALA 146 Cb 0.48 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.93 3knn n ALA 146 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3knn n ASP 147 N 0.00 -0.06 -0.32 0.00 8.00 -1.21 0.41 116.55 123.37 3knn n ASP 147 Ca 0.00 0.12 0.21 0.00 0.71 0.00 0.00 54.79 55.83 3knn n ASP 147 Cb 0.00 -0.02 0.42 0.00 -0.02 0.00 0.00 41.12 41.50 3knn n ASP 147 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3knn h VAL 148 N 0.00 0.28 0.27 2.53 2.07 -1.67 0.39 116.25 120.12 3knn h VAL 148 Ca 0.02 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.44 3knn h VAL 148 Cb 0.04 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 29.80 3knn h VAL 148 CO -0.07 0.05 -0.13 -0.33 0.02 0.00 0.00 177.57 177.11 3knn h GLU 149 N 0.26 -0.35 -1.00 1.57 4.39 0.80 -3.04 114.58 117.21 3knn h GLU 149 Ca 0.68 0.02 0.21 0.00 0.34 0.00 0.00 59.36 60.61 3knn h GLU 149 Cb 1.52 0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 30.15 3knn h GLU 149 CO -0.64 -0.06 0.62 -0.09 -1.16 0.00 0.00 179.01 177.67 3knn h ARG 150 N -0.63 0.64 0.00 2.33 2.43 -0.24 0.26 114.38 119.18 3knn h ARG 150 Ca -0.04 -0.04 -0.00 0.00 -0.81 0.00 0.00 59.98 59.09 3knn h ARG 150 Cb 0.45 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 29.85 3knn h ARG 150 CO 0.06 0.42 -0.01 -0.07 -1.51 0.00 0.00 179.97 178.87 3knn h LEU 151 N 0.66 0.00 -3.02 3.80 3.38 -0.61 -2.94 115.31 116.58 3knn h LEU 151 Ca 0.58 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.55 3knn h LEU 151 Cb 1.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.79 3knn h LEU 151 CO -0.36 0.01 0.00 0.54 0.09 0.00 0.00 178.44 178.72 3knn n ARG 152 N -3.10 1.83 0.00 1.13 1.74 0.75 -4.88 116.66 114.12 3knn n ARG 152 Ca 0.00 -2.39 0.00 0.00 -0.77 0.00 0.00 57.85 54.69 3knn n ARG 152 Cb 0.29 -1.44 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 3knn n ARG 152 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 3knn n LYS 153 N -1.11 0.00 0.00 5.56 4.81 -0.18 -5.05 118.16 122.20 3knn n LYS 153 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.57 3knn n LYS 153 Cb 0.59 -0.06 0.00 0.00 0.02 0.00 0.00 35.03 35.58 3knn n LYS 153 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3knn n GLY 154 N 2.72 0.24 0.00 3.14 0.00 -1.26 -5.11 105.19 104.93 3knn n GLY 154 Ca 0.00 0.65 0.00 0.00 0.00 0.00 0.00 46.02 46.67 3knn n GLY 154 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50