#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3lin s VAL 2 N 0.00 4.87 -0.31 0.52 1.01 -1.26 -5.05 120.40 120.18 3lin s VAL 2 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 61.98 63.77 3lin s VAL 2 Cb 0.00 -4.20 0.07 0.00 0.00 0.00 0.00 36.38 32.25 3lin s VAL 2 CO 0.00 0.06 0.01 -0.63 0.00 0.00 0.00 175.10 174.54 3lin s ILE 3 N 1.80 2.71 0.63 2.22 1.01 -1.26 -5.10 121.20 123.22 3lin s ILE 3 Ca 0.43 -1.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.24 3lin s ILE 3 Cb -0.18 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.60 3lin s ILE 3 CO 0.17 -0.24 1.11 -2.84 0.00 0.00 0.00 174.94 173.14 3lin s PRO 4 N 1.15 2.95 -0.18 2.79 0.02 -1.26 -5.00 135.00 135.47 3lin s PRO 4 Ca -0.02 1.41 -0.06 0.00 0.02 0.00 0.00 61.00 62.35 3lin s PRO 4 Cb -0.20 -1.97 -0.03 0.00 0.02 0.00 0.00 34.50 32.32 3lin s PRO 4 CO -0.04 -1.14 0.02 -0.51 -0.33 0.00 0.00 177.00 175.01 3lin s LEU 5 N -4.64 3.52 -0.10 -5.54 1.43 -1.26 -4.88 118.68 107.21 3lin s LEU 5 Ca 0.68 -0.04 -0.04 0.00 -1.03 0.00 0.00 54.13 53.69 3lin s LEU 5 Cb -0.21 -1.88 0.05 0.00 0.03 0.00 0.00 46.19 44.19 3lin s LEU 5 CO 0.38 0.15 0.21 -0.62 0.23 0.00 0.00 176.35 176.71 3lin s ASP 6 N 0.49 0.16 0.41 2.29 -1.08 -1.26 -5.05 116.67 112.64 3lin s ASP 6 Ca 0.00 0.46 0.11 0.00 -0.52 0.00 0.00 52.55 52.60 3lin s ASP 6 Cb -0.13 0.42 0.87 0.00 -1.46 0.00 0.00 42.92 42.62 3lin s ASP 6 CO 0.02 -0.20 1.96 1.55 0.52 0.00 0.00 175.17 179.01 3lin h PRO 7 N 7.77 0.20 0.00 4.34 0.13 -2.03 -2.58 132.00 139.83 3lin h PRO 7 Ca -0.28 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3lin h PRO 7 Cb 1.13 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3lin h PRO 7 CO 0.26 0.31 0.00 0.00 -0.23 0.00 0.00 178.00 178.34 3lin h ALA 8 N 1.71 1.00 -3.45 -0.56 0.00 -2.03 -3.43 119.26 112.49 3lin h ALA 8 Ca 0.04 0.00 -0.56 0.00 0.00 0.00 0.00 54.91 54.39 3lin h ALA 8 Cb 0.31 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 17.71 3lin h ALA 8 CO 0.02 0.00 -0.78 1.03 0.00 0.00 0.00 179.25 179.52 3lin s ARG 9 N -3.22 1.18 0.24 0.00 0.52 -0.97 -5.12 118.95 111.58 3lin s ARG 9 Ca 0.08 -0.70 -0.31 0.00 -0.52 0.00 0.00 55.73 54.27 3lin s ARG 9 Cb 0.08 -2.33 -0.11 0.00 0.52 0.00 0.00 34.95 33.10 3lin s ARG 9 CO 0.62 -0.60 1.64 1.03 0.02 0.00 0.00 175.30 178.00 3lin s ARG 10 N 1.62 4.14 -0.42 3.54 0.52 -1.26 -4.34 118.95 122.75 3lin s ARG 10 Ca -0.03 2.55 -0.29 0.00 -0.52 0.00 0.00 55.73 57.45 3lin s ARG 10 Cb -0.18 -3.06 0.01 0.00 0.52 0.00 0.00 34.95 32.24 3lin s ARG 10 CO -0.07 -0.67 1.44 -1.25 0.02 0.00 0.00 175.30 174.77 3lin s PRO 11 N 0.36 3.53 0.26 3.54 0.04 -1.26 -4.98 135.00 136.50 3lin s PRO 11 Ca 0.68 0.94 0.08 0.00 0.04 0.00 0.00 61.00 62.74 3lin s PRO 11 Cb -0.48 -4.05 -0.05 0.00 0.04 0.00 0.00 34.50 29.96 3lin s PRO 11 CO 0.39 -1.62 -0.12 0.14 0.04 0.00 0.00 177.00 175.84 3lin s VAL 12 N 5.59 1.85 0.08 -0.36 -7.23 -1.26 -0.08 120.40 119.00 3lin s VAL 12 Ca 0.62 -2.21 -0.10 0.00 -1.81 0.00 0.00 61.98 58.49 3lin s VAL 12 Cb -0.14 -2.29 0.00 0.00 0.56 0.00 0.00 36.38 34.51 3lin s VAL 12 CO 0.32 -0.42 0.22 -0.51 -0.31 0.00 0.00 175.10 174.40 3lin s ILE 13 N -2.89 0.13 -0.18 -0.62 2.07 -0.19 -4.88 121.20 114.64 3lin s ILE 13 Ca 0.27 -1.07 -0.15 0.00 -1.41 0.00 0.00 60.65 58.29 3lin s ILE 13 Cb 0.01 -1.25 -0.04 0.00 0.13 0.00 0.00 42.46 41.30 3lin s ILE 13 CO 0.11 -0.59 0.37 -0.54 -1.91 0.00 0.00 174.94 172.38 3lin s LYS 14 N -3.64 4.22 -0.06 3.50 -0.14 -1.26 -0.57 119.74 121.79 3lin s LYS 14 Ca 0.03 0.19 0.01 0.00 -1.36 0.00 0.00 55.97 54.84 3lin s LYS 14 Cb 0.04 -3.49 0.02 0.00 -1.68 0.00 0.00 37.83 32.72 3lin s LYS 14 CO -0.10 0.08 -0.07 0.00 -0.76 0.00 0.00 175.35 174.49 3lin s ALA 15 N 0.95 0.95 -0.34 5.17 0.00 -0.12 -4.07 121.76 124.31 3lin s ALA 15 Ca 0.19 -0.23 -0.27 0.00 0.00 0.00 0.00 51.96 51.65 3lin s ALA 15 Cb -0.14 -0.53 0.01 0.00 0.00 0.00 0.00 23.12 22.46 3lin s ALA 15 CO 0.07 -0.02 0.96 -1.14 0.00 0.00 0.00 175.76 175.63 3lin s GLN 16 N 0.93 3.95 -0.20 0.00 0.74 -0.45 -0.86 119.66 123.77 3lin s GLN 16 Ca -0.10 0.77 -0.07 0.00 0.05 0.00 0.00 55.36 56.00 3lin s GLN 16 Cb -0.15 -3.77 -0.04 0.00 1.10 0.00 0.00 33.01 30.16 3lin s GLN 16 CO 0.01 -0.89 0.07 0.08 -0.55 0.00 0.00 175.29 174.01 3lin s VAL 17 N 3.46 4.67 -0.39 1.34 1.01 0.76 -1.02 120.40 130.23 3lin s VAL 17 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 61.98 62.29 3lin s VAL 17 Cb -0.12 -3.13 0.10 0.00 0.00 0.00 0.00 36.38 33.23 3lin s VAL 17 CO 0.16 0.42 0.16 -0.62 0.00 0.00 0.00 175.10 175.23 3lin s ASP 18 N 0.72 5.17 0.00 3.32 2.15 0.78 -1.71 116.67 127.11 3lin s ASP 18 Ca 0.03 -1.94 0.29 0.00 0.43 0.00 0.00 52.55 51.37 3lin s ASP 18 Cb -0.13 -1.80 1.48 0.00 -0.30 0.00 0.00 42.92 42.17 3lin s ASP 18 CO 0.02 -0.49 2.02 0.35 -0.17 0.00 0.00 175.17 176.90 3lin n THR 19 N 4.57 0.03 -1.67 1.71 -2.24 -1.26 -1.09 114.28 114.32 3lin n THR 19 Ca -0.03 0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.56 3lin n THR 19 Cb 0.42 -0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 3lin n THR 19 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3lin n GLN 20 N -1.29 -1.41 0.00 -0.78 6.02 -1.26 -4.79 117.38 113.87 3lin n GLN 20 Ca 0.14 1.18 0.00 0.00 -0.01 0.00 0.00 57.00 58.30 3lin n GLN 20 Cb 0.24 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 25.94 3lin n GLN 20 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3lin n THR 21 N -2.61 0.00 -3.81 5.09 -2.24 -1.26 -5.09 114.28 104.36 3lin n THR 21 Ca -0.20 -0.33 -0.08 0.00 -2.27 0.00 0.00 64.05 61.16 3lin n THR 21 Cb 0.66 0.87 0.02 0.00 -2.10 0.00 0.00 70.33 69.78 3lin n THR 21 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3lin s SER 22 N -1.04 -0.01 0.34 3.42 1.04 -1.26 -4.11 113.70 112.08 3lin s SER 22 Ca 0.00 -1.10 -0.28 0.00 0.48 0.00 0.00 55.95 55.05 3lin s SER 22 Cb 0.00 0.84 -0.09 0.00 0.10 0.00 0.00 66.02 66.86 3lin s SER 22 CO 0.00 -1.65 1.20 -2.28 0.98 0.00 0.00 173.24 171.49 3lin s HIS 23 N -2.40 3.19 0.60 5.02 2.46 -1.26 -4.61 115.29 118.28 3lin s HIS 23 Ca 0.15 1.54 -0.20 0.00 0.47 0.00 0.00 55.06 57.03 3lin s HIS 23 Cb -0.05 -3.47 -0.03 0.00 -0.13 0.00 0.00 32.58 28.90 3lin s HIS 23 CO 0.11 -1.31 1.25 -2.30 -2.47 0.00 0.00 174.74 170.02 3lin n PRO 24 N 0.62 1.30 -3.95 2.88 -0.02 -1.26 -4.90 135.00 129.67 3lin n PRO 24 Ca 0.01 0.49 -0.14 0.00 -2.02 0.00 0.00 63.50 61.84 3lin n PRO 24 Cb 0.44 -2.47 -0.15 0.00 -0.02 0.00 0.00 33.50 31.30 3lin n PRO 24 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3lin s LYS 25 N -3.04 0.18 -0.13 -0.52 1.02 -0.69 -4.94 119.74 111.61 3lin s LYS 25 Ca 0.77 -0.01 -0.22 0.00 0.02 0.00 0.00 55.97 56.53 3lin s LYS 25 Cb -0.41 -0.25 -0.03 0.00 -0.52 0.00 0.00 37.83 36.63 3lin s LYS 25 CO 0.45 -0.02 0.67 0.99 -0.92 0.00 0.00 175.35 176.52 3lin s THR 26 N 0.33 5.03 0.26 2.17 2.01 -1.26 -0.17 115.64 124.01 3lin s THR 26 Ca -0.03 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.33 3lin s THR 26 Cb -0.05 -3.99 -0.06 0.00 0.01 0.00 0.00 72.50 68.41 3lin s THR 26 CO -0.01 0.18 0.02 0.27 -0.69 0.00 0.00 174.62 174.39 3lin s ILE 27 N 1.36 1.10 -0.14 1.82 -4.36 -0.04 -4.92 121.20 116.02 3lin s ILE 27 Ca 0.33 -2.03 -0.15 0.00 -0.26 0.00 0.00 60.65 58.54 3lin s ILE 27 Cb -0.17 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 40.99 3lin s ILE 27 CO 0.14 -0.20 0.34 -0.70 0.24 0.00 0.00 174.94 174.75 3lin s GLU 28 N -3.87 4.23 0.05 0.37 2.12 -1.26 -0.94 118.70 119.39 3lin s GLU 28 Ca 0.32 0.19 0.07 0.00 0.36 0.00 0.00 54.97 55.91 3lin s GLU 28 Cb 0.06 -3.41 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3lin s GLU 28 CO 0.11 0.27 -0.19 0.00 -0.54 0.00 0.00 175.26 174.91 3lin s ALA 29 N 0.35 1.62 0.05 6.30 0.00 0.27 -4.68 121.76 125.66 3lin s ALA 29 Ca 0.19 -1.02 -0.30 0.00 0.00 0.00 0.00 51.96 50.83 3lin s ALA 29 Cb -0.14 -0.29 -0.04 0.00 0.00 0.00 0.00 23.12 22.65 3lin s ALA 29 CO 0.06 0.35 1.04 -1.17 0.00 0.00 0.00 175.76 176.03 3lin s LEU 30 N -1.26 4.40 -0.42 0.00 2.96 -0.46 -1.02 118.68 122.89 3lin s LEU 30 Ca 0.06 1.80 -0.28 0.00 -0.22 0.00 0.00 54.13 55.49 3lin s LEU 30 Cb -0.09 -3.58 0.02 0.00 0.50 0.00 0.00 46.19 43.05 3lin s LEU 30 CO 0.02 -0.27 1.06 -0.76 -1.32 0.00 0.00 176.35 175.08 3lin s LEU 31 N 0.71 3.81 -0.29 -0.68 1.43 0.89 -0.39 118.68 124.16 3lin s LEU 31 Ca 0.52 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 54.20 3lin s LEU 31 Cb -0.24 -3.46 0.09 0.00 0.03 0.00 0.00 46.19 42.62 3lin s LEU 31 CO 0.29 -1.07 0.09 -0.62 0.23 0.00 0.00 176.35 175.26 3lin s ASP 32 N 2.14 3.90 0.22 2.29 -1.08 -0.69 -4.78 116.67 118.68 3lin s ASP 32 Ca 0.44 -1.53 0.25 0.00 -0.52 0.00 0.00 52.55 51.20 3lin s ASP 32 Cb -0.09 -0.84 0.87 0.00 -1.46 0.00 0.00 42.92 41.40 3lin s ASP 32 CO 0.25 -0.40 1.76 0.35 0.52 0.00 0.00 175.17 177.65 3lin n THR 33 N 4.87 0.66 1.62 1.71 -2.24 -1.26 -2.07 114.28 117.57 3lin n THR 33 Ca -0.03 -0.12 0.14 0.00 -2.27 0.00 0.00 64.05 61.78 3lin n THR 33 Cb 0.43 -0.77 0.63 0.00 -2.10 0.00 0.00 70.33 68.52 3lin n THR 33 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3lin n GLY 34 N 0.90 -0.27 3.60 3.38 0.00 -1.26 -4.79 105.19 106.75 3lin n GLY 34 Ca 0.04 -0.38 -0.38 0.00 0.00 0.00 0.00 46.02 45.30 3lin n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lin s ALA 35 N -2.01 3.55 0.40 4.61 0.00 -0.88 -4.98 121.76 122.46 3lin s ALA 35 Ca 0.40 -0.95 0.11 0.00 0.00 0.00 0.00 51.96 51.52 3lin s ALA 35 Cb 0.21 -2.59 0.85 0.00 0.00 0.00 0.00 23.12 21.59 3lin s ALA 35 CO 0.35 -0.59 1.94 -0.44 0.00 0.00 0.00 175.76 177.02 3lin h ASP 36 N 8.24 0.18 -4.74 0.00 3.32 -1.88 -1.49 116.42 120.06 3lin h ASP 36 Ca -0.33 -0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.49 3lin h ASP 36 Cb 1.18 -0.05 -0.22 0.00 0.22 0.00 0.00 39.33 40.45 3lin h ASP 36 CO 0.60 0.33 -0.71 -0.32 -1.72 0.00 0.00 179.24 177.42 3lin s MET 37 N -4.76 0.28 0.60 3.56 1.75 -1.26 -3.53 119.30 115.93 3lin s MET 37 Ca -0.05 -0.51 -0.16 0.00 -1.25 0.00 0.00 55.69 53.71 3lin s MET 37 Cb 0.16 0.05 -0.03 0.00 2.84 0.00 0.00 34.83 37.84 3lin s MET 37 CO 0.72 -0.03 1.07 0.99 -0.65 0.00 0.00 175.02 177.12 3lin s THR 38 N -1.19 3.71 -0.10 10.11 2.01 -1.26 -4.31 115.64 124.61 3lin s THR 38 Ca -0.13 0.82 0.03 0.00 0.31 0.00 0.00 61.69 62.72 3lin s THR 38 Cb -0.08 -3.34 0.01 0.00 0.01 0.00 0.00 72.50 69.09 3lin s THR 38 CO -0.01 -0.47 -0.18 -0.69 -0.69 0.00 0.00 174.62 172.58 3lin s VAL 39 N -2.41 1.67 -0.06 3.82 1.01 0.12 -1.21 120.40 123.34 3lin s VAL 39 Ca 0.64 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.89 3lin s VAL 39 Cb -0.17 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3lin s VAL 39 CO 0.37 0.47 -0.17 -0.63 0.00 0.00 0.00 175.10 175.14 3lin s ILE 40 N 0.69 2.75 0.40 2.22 1.01 0.15 -1.39 121.20 127.04 3lin s ILE 40 Ca -0.12 -0.82 -0.27 0.00 0.00 0.00 0.00 60.65 59.43 3lin s ILE 40 Cb -0.16 -2.07 -0.10 0.00 0.01 0.00 0.00 42.46 40.14 3lin s ILE 40 CO 0.03 0.57 1.48 -2.84 0.00 0.00 0.00 174.94 174.18 3lin s PRO 41 N -0.42 3.99 0.55 2.79 0.02 -1.06 -0.76 135.00 140.11 3lin s PRO 41 Ca 0.04 2.54 0.24 0.00 0.02 0.00 0.00 61.00 63.85 3lin s PRO 41 Cb -0.12 -2.88 1.47 0.00 0.02 0.00 0.00 34.50 32.99 3lin s PRO 41 CO 0.02 -0.62 2.10 0.97 -0.33 0.00 0.00 177.00 179.13 3lin h ILE 42 N 2.79 0.72 -0.15 2.83 2.10 -1.60 -2.73 117.51 121.47 3lin h ILE 42 Ca -0.51 0.00 0.04 0.00 1.08 0.00 0.00 64.86 65.48 3lin h ILE 42 Cb 1.25 0.87 -0.01 0.00 -1.09 0.00 0.00 36.82 37.84 3lin h ILE 42 CO 0.63 0.00 0.16 0.00 -1.08 0.00 0.00 178.15 177.87 3lin h ALA 43 N 1.85 1.78 0.00 0.18 0.00 -1.90 -1.13 119.26 120.04 3lin h ALA 43 Ca 0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3lin h ALA 43 Cb 0.46 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3lin h ALA 43 CO -0.00 -0.24 0.00 -0.07 0.00 0.00 0.00 179.25 178.94 3lin h LEU 44 N 0.00 0.00-10.04 0.00 3.38 -1.86 -3.45 115.31 103.34 3lin h LEU 44 Ca 0.07 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.50 3lin h LEU 44 Cb 0.40 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 3lin h LEU 44 CO -0.00 0.00 -0.27 -0.36 0.09 0.00 0.00 178.44 177.90 3lin s PHE 45 N -3.27 3.48 0.64 1.13 0.40 -0.43 -4.64 117.98 115.29 3lin s PHE 45 Ca 0.06 0.50 -0.16 0.00 -0.60 0.00 0.00 56.93 56.73 3lin s PHE 45 Cb 0.10 -1.98 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 3lin s PHE 45 CO 0.49 0.33 1.15 -1.54 0.70 0.00 0.00 175.22 176.35 3lin s SER 46 N -2.93 5.03 0.24 1.36 1.04 -1.26 -4.91 113.70 112.27 3lin s SER 46 Ca 0.41 2.17 -0.05 0.00 0.48 0.00 0.00 55.95 58.96 3lin s SER 46 Cb -0.11 -2.57 0.45 0.00 0.10 0.00 0.00 66.02 63.89 3lin s SER 46 CO 0.28 -1.69 1.72 0.28 0.98 0.00 0.00 173.24 174.80 3lin h SER 47 N 0.29 0.21 -0.51 7.02 0.02 -1.94 -2.55 113.55 116.09 3lin h SER 47 Ca -0.48 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.59 3lin h SER 47 Cb 1.27 0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.92 3lin h SER 47 CO 0.54 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.88 3lin n ASN 48 N -5.04 3.50 -4.75 3.07 4.13 -1.26 -5.02 115.26 109.89 3lin n ASN 48 Ca 0.14 -1.97 -0.40 0.00 1.68 0.00 0.00 54.58 54.03 3lin n ASN 48 Cb 0.42 -0.34 0.02 0.00 -1.54 0.00 0.00 39.78 38.34 3lin n ASN 48 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 3lin n THR 49 N 1.34 2.73 -2.56 3.41 -1.04 -0.96 -4.89 114.28 112.31 3lin n THR 49 Ca 0.19 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.05 61.29 3lin n THR 49 Cb 0.56 -1.81 -0.04 0.00 -1.82 0.00 0.00 70.33 67.22 3lin n THR 49 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 3lin s PRO 50 N -2.40 4.62 0.14 -2.82 0.02 -1.26 -5.03 135.00 128.27 3lin s PRO 50 Ca 0.61 1.66 0.05 0.00 0.02 0.00 0.00 61.00 63.34 3lin s PRO 50 Cb -0.46 -3.30 -0.04 0.00 0.02 0.00 0.00 34.50 30.72 3lin s PRO 50 CO 0.58 0.11 -0.12 -0.51 -0.33 0.00 0.00 177.00 176.73 3lin s LEU 51 N -0.32 2.48 -0.02 -5.54 1.43 -1.26 -4.06 118.68 111.40 3lin s LEU 51 Ca 0.49 -0.93 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3lin s LEU 51 Cb -0.28 -0.45 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 3lin s LEU 51 CO 0.34 -0.24 0.05 -0.54 0.23 0.00 0.00 176.35 176.18 3lin s LYS 52 N -3.31 2.98 0.53 1.70 1.02 0.10 -4.91 119.74 117.84 3lin s LYS 52 Ca 0.14 -0.51 -0.22 0.00 0.02 0.00 0.00 55.97 55.40 3lin s LYS 52 Cb -0.01 -2.80 -0.05 0.00 -0.52 0.00 0.00 37.83 34.45 3lin s LYS 52 CO 0.02 0.65 1.32 -0.80 -0.92 0.00 0.00 175.35 175.62 3lin s ASN 53 N -1.57 5.46 0.17 2.83 -0.87 -1.26 -0.67 114.94 119.03 3lin s ASN 53 Ca 0.21 2.68 -0.18 0.00 -1.57 0.00 0.00 52.86 53.99 3lin s ASN 53 Cb -0.12 -2.63 0.04 0.00 -0.02 0.00 0.00 41.25 38.52 3lin s ASN 53 CO 0.11 -1.43 0.50 0.28 -2.57 0.00 0.00 177.10 173.99 3lin s THR 54 N -1.35 0.03 -0.10 1.60 -1.32 -1.26 -4.65 115.64 108.60 3lin s THR 54 Ca 0.70 -0.53 0.04 0.00 -1.21 0.00 0.00 61.69 60.68 3lin s THR 54 Cb -0.38 -1.31 -0.00 0.00 -1.51 0.00 0.00 72.50 69.30 3lin s THR 54 CO 0.45 -0.15 -0.23 -0.55 -2.21 0.00 0.00 174.62 171.93 3lin s SER 55 N -2.82 3.20 -0.03 8.08 0.15 -1.26 -4.35 113.70 116.67 3lin s SER 55 Ca 0.05 -0.53 0.03 0.00 0.70 0.00 0.00 55.95 56.20 3lin s SER 55 Cb -0.00 -1.41 -0.00 0.00 -1.71 0.00 0.00 66.02 62.90 3lin s SER 55 CO -0.08 0.17 -0.12 -0.69 1.20 0.00 0.00 173.24 173.72 3lin s VAL 56 N 0.31 1.00 -0.24 4.45 1.01 -0.11 -4.99 120.40 121.83 3lin s VAL 56 Ca -0.17 -0.49 -0.11 0.00 0.00 0.00 0.00 61.98 61.21 3lin s VAL 56 Cb -0.18 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.29 3lin s VAL 56 CO 0.08 0.30 0.17 -0.22 0.00 0.00 0.00 175.10 175.43 3lin s LEU 57 N 0.05 4.12 0.39 3.92 0.20 -1.26 -0.14 118.68 125.96 3lin s LEU 57 Ca -0.02 0.14 0.05 0.00 0.69 0.00 0.00 54.13 54.99 3lin s LEU 57 Cb -0.09 -2.13 -0.02 0.00 -0.43 0.00 0.00 46.19 43.53 3lin s LEU 57 CO 0.01 0.06 0.19 -0.83 -0.29 0.00 0.00 176.35 175.49 3lin s GLY 58 N 1.03 2.57 0.41 7.98 0.00 -0.38 -4.99 107.32 113.93 3lin s GLY 58 Ca 0.08 -1.50 0.08 0.00 0.00 0.00 0.00 44.72 43.38 3lin s GLY 58 CO 0.04 -1.70 2.02 0.00 0.00 0.00 0.00 173.10 173.46 3lin h ALA 59 N 1.88 1.65 0.00 3.20 0.00 -2.03 0.75 119.26 124.72 3lin h ALA 59 Ca -0.31 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3lin h ALA 59 Cb 1.26 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3lin h ALA 59 CO 0.48 0.28 0.00 0.41 0.00 0.00 0.00 179.25 180.42 3lin n GLY 60 N -1.29 -0.70 0.81 0.00 0.00 -1.26 -5.00 105.19 97.74 3lin n GLY 60 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3lin n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3lin n GLY 61 N 0.28 -1.85 3.74 -0.02 0.00 0.25 -4.98 105.19 102.62 3lin n GLY 61 Ca 0.07 -1.94 -0.40 0.00 0.00 0.00 0.00 46.02 43.75 3lin n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3lin s GLN 62 N 0.00 4.48 -0.03 1.61 -0.44 -1.26 -1.25 119.66 122.77 3lin s GLN 62 Ca 0.00 1.03 0.02 0.00 -2.50 0.00 0.00 55.36 53.90 3lin s GLN 62 Cb 0.00 -3.38 0.01 0.00 -1.64 0.00 0.00 33.01 28.00 3lin s GLN 62 CO 0.00 0.24 -0.06 -0.08 0.50 0.00 0.00 175.29 175.90 3lin s THR 63 N 0.10 0.55 -0.68 -0.34 -1.32 0.80 -4.97 115.64 109.78 3lin s THR 63 Ca 0.38 -0.19 0.15 0.00 -1.21 0.00 0.00 61.69 60.82 3lin s THR 63 Cb -0.20 -0.54 -0.17 0.00 -1.51 0.00 0.00 72.50 70.09 3lin s THR 63 CO 0.22 0.20 0.63 0.00 -2.21 0.00 0.00 174.62 173.47 3lin n GLN 64 N 3.62 1.87 -0.09 7.08 6.02 -1.26 -0.94 117.38 133.68 3lin n GLN 64 Ca -0.21 -0.01 -0.09 0.00 -0.01 0.00 0.00 57.00 56.68 3lin n GLN 64 Cb 0.53 -1.23 -0.16 0.00 1.02 0.00 0.00 30.24 30.41 3lin n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3lin n ASP 65 N -1.40 0.15 0.11 1.08 8.00 -1.26 -4.38 116.55 118.84 3lin n ASP 65 Ca 0.03 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.51 3lin n ASP 65 Cb 0.25 1.02 -0.00 0.00 -0.02 0.00 0.00 41.12 42.36 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -0.39 0.00 0.00 177.20 177.26 3lin h HIS 66 N 0.00 0.00 -3.95 1.24 3.86 -1.90 -3.45 115.15 110.94 3lin h HIS 66 Ca -0.52 0.00 -0.68 0.00 -1.16 0.00 0.00 60.37 58.01 3lin h HIS 66 Cb 2.17 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 30.42 3lin h HIS 66 CO 0.00 0.74 -0.87 -0.06 0.86 0.00 0.00 177.93 178.60 3lin s PHE 67 N -2.95 2.28 0.34 2.45 0.08 -1.26 -1.19 117.98 117.71 3lin s PHE 67 Ca 0.02 -0.39 0.07 0.00 0.12 0.00 0.00 56.93 56.75 3lin s PHE 67 Cb 0.09 -1.25 -0.07 0.00 -0.57 0.00 0.00 43.02 41.23 3lin s PHE 67 CO 0.78 0.31 -0.03 0.15 -0.10 0.00 0.00 175.22 176.32 3lin s LYS 68 N -1.96 1.74 -0.00 0.44 -0.14 -0.56 -4.06 119.74 115.20 3lin s LYS 68 Ca 0.13 -1.93 -0.03 0.00 -1.36 0.00 0.00 55.97 52.79 3lin s LYS 68 Cb -0.10 -1.38 -0.04 0.00 -1.68 0.00 0.00 37.83 34.63 3lin s LYS 68 CO 0.05 0.01 0.19 -0.51 -0.76 0.00 0.00 175.35 174.34 3lin s LEU 69 N -3.56 4.37 0.74 3.17 1.43 0.16 -0.55 118.68 124.44 3lin s LEU 69 Ca 0.33 0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 3lin s LEU 69 Cb 0.06 -2.66 0.04 0.00 0.03 0.00 0.00 46.19 43.66 3lin s LEU 69 CO 0.15 0.25 1.09 0.42 0.23 0.00 0.00 176.35 178.49 3lin s THR 70 N -1.34 3.47 -0.13 5.49 -4.23 -0.83 -0.72 115.64 117.34 3lin s THR 70 Ca 0.28 0.50 0.18 0.00 -1.18 0.00 0.00 61.69 61.47 3lin s THR 70 Cb -0.13 -3.04 -0.22 0.00 1.34 0.00 0.00 72.50 70.45 3lin s THR 70 CO 0.19 -0.60 0.48 -1.20 -0.54 0.00 0.00 174.62 172.96 3lin n SER 71 N -3.29 0.39 -4.46 3.99 7.64 -1.26 -4.71 113.62 111.92 3lin n SER 71 Ca 0.09 0.17 -0.28 0.00 1.01 0.00 0.00 58.87 59.86 3lin n SER 71 Cb 0.53 0.80 -0.11 0.00 -1.01 0.00 0.00 64.21 64.42 3lin n SER 71 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3lin s LEU 72 N -5.45 2.59 0.86 -3.43 1.43 -1.26 -5.07 118.68 108.35 3lin s LEU 72 Ca -0.07 -0.69 -0.13 0.00 -1.03 0.00 0.00 54.13 52.21 3lin s LEU 72 Cb 0.09 -1.39 0.04 0.00 0.03 0.00 0.00 46.19 44.97 3lin s LEU 72 CO 0.84 0.15 0.72 -2.65 0.23 0.00 0.00 176.35 175.63 3lin n PRO 73 N 0.54 -0.06 -5.10 1.29 -0.02 -1.23 -4.79 135.00 125.63 3lin n PRO 73 Ca -0.14 0.04 -0.32 0.00 -2.02 0.00 0.00 63.50 61.06 3lin n PRO 73 Cb 0.54 -2.05 -0.16 0.00 -0.02 0.00 0.00 33.50 31.81 3lin n PRO 73 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3lin s VAL 74 N -2.25 2.41 -0.11 -1.45 1.01 -0.07 -4.56 120.40 115.37 3lin s VAL 74 Ca 0.64 -0.92 -0.03 0.00 0.00 0.00 0.00 61.98 61.67 3lin s VAL 74 Cb -0.26 -1.93 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3lin s VAL 74 CO 0.60 0.56 -0.01 -0.76 0.00 0.00 0.00 175.10 175.50 3lin s LEU 75 N -0.06 3.49 -0.08 3.92 1.43 -0.25 -1.20 118.68 125.93 3lin s LEU 75 Ca -0.05 0.06 0.02 0.00 -1.03 0.00 0.00 54.13 53.12 3lin s LEU 75 Cb -0.14 -1.81 0.02 0.00 0.03 0.00 0.00 46.19 44.28 3lin s LEU 75 CO 0.05 0.30 -0.11 -0.63 0.23 0.00 0.00 176.35 176.19 3lin s ILE 76 N -0.44 1.09 -0.12 -0.59 1.01 -0.25 -0.15 121.20 121.74 3lin s ILE 76 Ca 0.08 -0.42 -0.01 0.00 0.00 0.00 0.00 60.65 60.30 3lin s ILE 76 Cb -0.12 -1.02 -0.02 0.00 0.01 0.00 0.00 42.46 41.30 3lin s ILE 76 CO 0.02 0.35 -0.08 -0.13 0.00 0.00 0.00 174.94 175.10 3lin s ARG 77 N 0.91 3.28 0.38 2.79 0.52 -0.19 -0.73 118.95 125.92 3lin s ARG 77 Ca -0.10 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.53 3lin s ARG 77 Cb -0.15 -2.72 -0.02 0.00 0.52 0.00 0.00 34.95 32.58 3lin s ARG 77 CO 0.01 0.37 0.60 -0.51 0.02 0.00 0.00 175.30 175.78 3lin s LEU 78 N -0.01 3.88 0.35 2.53 1.43 -1.26 -1.34 118.68 124.25 3lin s LEU 78 Ca -0.01 0.41 0.06 0.00 -1.03 0.00 0.00 54.13 53.55 3lin s LEU 78 Cb -0.14 -3.28 0.72 0.00 0.03 0.00 0.00 46.19 43.52 3lin s LEU 78 CO 0.03 -0.43 1.92 -0.65 0.23 0.00 0.00 176.35 177.45 3lin h PRO 79 N 0.62 0.77 -0.48 1.29 0.11 -2.01 -3.24 132.00 129.07 3lin h PRO 79 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3lin h PRO 79 Cb 1.23 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.17 3lin h PRO 79 CO 0.60 0.51 0.00 1.97 -0.21 0.00 0.00 178.00 180.87 3lin n PHE 80 N -4.50 0.64 -3.83 0.65 -1.74 -1.26 -4.88 117.46 102.54 3lin n PHE 80 Ca 0.13 -0.50 -0.12 0.00 -0.56 0.00 0.00 57.45 56.40 3lin n PHE 80 Cb 0.29 -0.02 -0.13 0.00 1.52 0.00 0.00 39.48 41.14 3lin n PHE 80 CO 0.00 0.00 0.00 -0.98 -0.56 0.00 0.00 176.76 175.22 3lin s ARG 81 N -1.02 0.15 0.13 3.97 1.70 -1.22 -5.06 118.95 117.59 3lin s ARG 81 Ca 0.32 0.18 0.03 0.00 -0.47 0.00 0.00 55.73 55.79 3lin s ARG 81 Cb 0.17 0.07 -0.13 0.00 -0.57 0.00 0.00 34.95 34.48 3lin s ARG 81 CO 0.22 -0.02 1.29 1.79 -1.08 0.00 0.00 175.30 177.50 3lin h THR 82 N 4.97 1.58 -3.52 4.99 1.35 -1.90 -3.37 112.91 117.00 3lin h THR 82 Ca -0.25 -3.00 -0.52 0.00 -0.55 0.00 0.00 66.41 62.09 3lin h THR 82 Cb 1.20 2.71 -0.00 0.00 -1.73 0.00 0.00 68.15 70.33 3lin h THR 82 CO 0.43 0.87 0.45 -0.89 -0.25 0.00 0.00 175.52 176.12 3lin s THR 83 N -2.91 4.11 0.19 6.82 2.01 -1.26 -5.02 115.64 119.59 3lin s THR 83 Ca -0.02 1.75 -0.25 0.00 0.31 0.00 0.00 61.69 63.49 3lin s THR 83 Cb 0.09 -4.12 -0.08 0.00 0.01 0.00 0.00 72.50 68.40 3lin s THR 83 CO 0.84 0.27 0.79 -2.16 -0.69 0.00 0.00 174.62 173.67 3lin s PRO 84 N -0.08 4.54 0.24 4.92 0.04 -1.26 -4.77 135.00 138.64 3lin s PRO 84 Ca 0.50 1.15 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 3lin s PRO 84 Cb -0.27 -3.18 -0.11 0.00 0.04 0.00 0.00 34.50 30.98 3lin s PRO 84 CO 0.33 0.52 1.65 0.42 0.04 0.00 0.00 177.00 179.96 3lin s ILE 85 N -1.24 2.11 -0.26 0.56 1.01 0.09 -4.84 121.20 118.64 3lin s ILE 85 Ca 0.38 0.08 0.00 0.00 0.00 0.00 0.00 60.65 61.12 3lin s ILE 85 Cb -0.22 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.24 3lin s ILE 85 CO 0.26 0.01 -0.08 -0.69 0.00 0.00 0.00 174.94 174.44 3lin s VAL 86 N 0.64 2.58 -0.24 2.92 1.01 -1.26 -1.09 120.40 124.96 3lin s VAL 86 Ca 0.69 -1.29 -0.07 0.00 0.00 0.00 0.00 61.98 61.31 3lin s VAL 86 Cb -0.48 -2.39 -0.03 0.00 0.00 0.00 0.00 36.38 33.48 3lin s VAL 86 CO 0.39 0.10 0.07 -0.76 0.00 0.00 0.00 175.10 174.90 3lin s LEU 87 N 1.23 3.51 0.27 3.92 1.43 -0.34 -4.97 118.68 123.73 3lin s LEU 87 Ca -0.03 -0.15 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3lin s LEU 87 Cb -0.18 -1.93 0.35 0.00 0.03 0.00 0.00 46.19 44.46 3lin s LEU 87 CO -0.05 0.00 1.79 0.71 0.23 0.00 0.00 176.35 179.03 3lin h THR 88 N 5.42 1.24 -3.31 5.49 1.35 -1.94 -0.17 112.91 120.99 3lin h THR 88 Ca -0.37 -0.92 -0.03 0.00 -0.55 0.00 0.00 66.41 64.54 3lin h THR 88 Cb 1.18 0.77 -0.11 0.00 -1.73 0.00 0.00 68.15 68.26 3lin h THR 88 CO 0.59 0.33 0.01 -0.94 -0.25 0.00 0.00 175.52 175.27 3lin s SER 89 N -6.61 -0.28 0.17 5.36 1.04 -1.26 -3.49 113.70 108.64 3lin s SER 89 Ca -0.10 -0.41 -0.04 0.00 0.48 0.00 0.00 55.95 55.89 3lin s SER 89 Cb 0.15 0.55 0.01 0.00 0.10 0.00 0.00 66.02 66.84 3lin s SER 89 CO 0.81 -1.00 0.29 0.00 0.98 0.00 0.00 173.24 174.32 3lin s LEU 91 N 0.00 4.03 -0.11 0.00 1.43 -0.35 -1.97 118.68 121.71 3lin s LEU 91 Ca 0.11 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.20 3lin s LEU 91 Cb -0.01 -3.79 0.01 0.00 0.03 0.00 0.00 46.19 42.43 3lin s LEU 91 CO 0.08 -0.22 -0.20 -0.69 0.23 0.00 0.00 176.35 175.56 3lin s VAL 92 N -2.07 1.79 -0.50 -1.59 1.01 0.29 -0.67 120.40 118.65 3lin s VAL 92 Ca 0.48 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.39 3lin s VAL 92 Cb -0.11 -1.59 0.03 0.00 0.00 0.00 0.00 36.38 34.72 3lin s VAL 92 CO 0.26 0.50 0.89 -0.62 0.00 0.00 0.00 175.10 176.13 3lin s ASP 93 N 0.70 6.39 0.00 3.32 2.15 0.06 -1.49 116.67 127.80 3lin s ASP 93 Ca -0.12 -0.19 0.30 0.00 0.43 0.00 0.00 52.55 52.97 3lin s ASP 93 Cb -0.16 -2.42 1.41 0.00 -0.30 0.00 0.00 42.92 41.44 3lin s ASP 93 CO 0.02 -1.10 2.00 0.35 -0.17 0.00 0.00 175.17 176.27 3lin n THR 94 N 6.23 0.00 0.03 1.71 -2.24 -0.34 -1.48 114.28 118.20 3lin n THR 94 Ca 0.03 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 3lin n THR 94 Cb 0.48 -0.50 0.00 0.00 -2.10 0.00 0.00 70.33 68.21 3lin n THR 94 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 3lin n LYS 95 N -1.37 0.00 -0.39 -0.78 4.76 -1.26 -4.91 118.16 114.21 3lin n LYS 95 Ca 0.11 0.00 0.10 0.00 -2.87 0.00 0.00 58.31 55.65 3lin n LYS 95 Cb 0.28 -0.26 0.30 0.00 -1.84 0.00 0.00 35.03 33.51 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 3lin n ASN 96 N -3.07 3.72 -3.38 4.39 3.02 -1.26 -4.94 115.26 113.73 3lin n ASN 96 Ca 0.00 -2.10 -0.25 0.00 -0.03 0.00 0.00 54.58 52.21 3lin n ASN 96 Cb 0.00 -0.47 -0.05 0.00 -0.61 0.00 0.00 39.78 38.65 3lin n ASN 96 CO 0.00 0.00 0.00 -0.46 -2.62 0.00 0.00 177.26 174.18 3lin n ASN 97 N 1.32 -0.81 -4.76 6.41 6.94 -1.26 -4.92 115.26 118.17 3lin n ASN 97 Ca 0.22 -0.76 -0.39 0.00 -0.02 0.00 0.00 54.58 53.64 3lin n ASN 97 Cb 0.62 -0.96 0.01 0.00 -2.36 0.00 0.00 39.78 37.09 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3lin s TRP 98 N -2.61 2.57 -0.21 -2.53 0.51 -1.26 -4.61 118.94 110.80 3lin s TRP 98 Ca 0.42 1.38 0.01 0.00 -2.12 0.00 0.00 56.10 55.78 3lin s TRP 98 Cb -0.24 -3.73 0.05 0.00 -0.81 0.00 0.00 33.47 28.73 3lin s TRP 98 CO 0.62 -2.47 -0.09 0.00 -0.51 0.00 0.00 176.95 174.50 3lin s ALA 99 N -1.30 1.99 -0.07 0.98 0.00 -1.26 -2.55 121.76 119.56 3lin s ALA 99 Ca 0.63 -1.26 0.01 0.00 0.00 0.00 0.00 51.96 51.34 3lin s ALA 99 Cb -0.39 -1.33 0.02 0.00 0.00 0.00 0.00 23.12 21.42 3lin s ALA 99 CO 0.48 -0.94 -0.06 0.42 0.00 0.00 0.00 175.76 175.66 3lin s ILE 100 N 1.39 0.71 -0.36 0.00 1.01 -0.48 -1.35 121.20 122.12 3lin s ILE 100 Ca -0.03 -0.17 -0.19 0.00 0.00 0.00 0.00 60.65 60.26 3lin s ILE 100 Cb -0.17 -0.74 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3lin s ILE 100 CO -0.07 0.28 0.55 -0.63 0.00 0.00 0.00 174.94 175.07 3lin s ILE 101 N 1.23 4.98 0.04 2.92 1.01 0.48 0.13 121.20 131.97 3lin s ILE 101 Ca -0.06 0.38 0.01 0.00 0.00 0.00 0.00 60.65 60.98 3lin s ILE 101 Cb -0.14 -4.00 0.01 0.00 0.01 0.00 0.00 42.46 38.33 3lin s ILE 101 CO -0.02 -0.26 0.05 0.61 0.00 0.00 0.00 174.94 175.32 3lin n GLY 102 N 4.78 2.05 0.24 6.18 0.00 -1.26 -1.70 105.19 115.48 3lin n GLY 102 Ca -0.04 -2.14 0.15 0.00 0.00 0.00 0.00 46.02 43.99 3lin n GLY 102 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3lin h ARG 103 N 0.00 0.00 -0.36 1.61 3.08 -1.42 -0.99 114.38 116.30 3lin h ARG 103 Ca -0.02 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.08 3lin h ARG 103 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.08 3lin h ARG 103 CO 0.03 0.00 0.09 0.38 -1.07 0.00 0.00 179.97 179.40 3lin h ASP 104 N 0.00 0.06 0.41 7.04 2.03 -1.81 0.87 116.42 125.01 3lin h ASP 104 Ca 0.00 0.05 -0.31 0.00 -0.73 0.00 0.00 57.03 56.04 3lin h ASP 104 Cb 0.64 0.06 0.02 0.00 -0.83 0.00 0.00 39.33 39.22 3lin h ASP 104 CO 0.00 0.07 -1.43 0.00 -1.03 0.00 0.00 179.24 176.85 3lin h ALA 105 N 1.25 -0.01 -0.69 4.15 0.00 -1.70 -3.27 119.26 118.99 3lin h ALA 105 Ca 0.17 -0.92 -0.03 0.00 0.00 0.00 0.00 54.91 54.13 3lin h ALA 105 Cb 0.17 0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 3lin h ALA 105 CO -0.20 0.86 0.31 -0.07 0.00 0.00 0.00 179.25 180.15 3lin h LEU 106 N 0.11 0.91 -0.60 0.00 3.38 -1.10 -2.03 115.31 115.99 3lin h LEU 106 Ca -0.22 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 57.73 3lin h LEU 106 Cb 2.08 -0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.53 3lin h LEU 106 CO 0.23 0.79 0.23 -0.61 0.09 0.00 0.00 178.44 179.17 3lin h GLN 107 N 0.99 0.40 0.00 1.13 4.15 -0.88 0.67 115.11 121.57 3lin h GLN 107 Ca 0.24 -0.02 -0.08 0.00 0.77 0.00 0.00 58.65 59.55 3lin h GLN 107 Cb 0.14 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3lin h GLN 107 CO -0.03 0.27 -0.40 1.96 -1.93 0.00 0.00 178.83 178.70 3lin h GLN 108 N 0.42 0.00 -0.63 1.69 4.20 -1.42 -1.22 115.11 118.14 3lin h GLN 108 Ca 0.30 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.01 3lin h GLN 108 Cb 0.36 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3lin h GLN 108 CO -0.29 0.40 0.00 0.00 -0.67 0.00 0.00 178.83 178.26 3lin n GLN 110 N 0.97 -4.37 -1.96 0.00 6.02 -0.46 -4.96 117.38 112.61 3lin n GLN 110 Ca 0.26 0.53 -0.38 0.00 -0.01 0.00 0.00 57.00 57.40 3lin n GLN 110 Cb 0.97 -5.33 0.02 0.00 1.02 0.00 0.00 30.24 26.92 3lin n GLN 110 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 3lin s GLY 111 N -3.10 2.86 0.07 1.08 0.00 0.15 -5.01 107.32 103.38 3lin s GLY 111 Ca 0.60 1.21 0.02 0.00 0.00 0.00 0.00 44.72 46.54 3lin s GLY 111 CO 0.73 1.72 -0.07 -1.34 0.00 0.00 0.00 173.10 174.15 3lin s VAL 112 N -1.36 0.59 -0.10 1.40 -7.23 -1.26 -4.74 120.40 107.69 3lin s VAL 112 Ca 0.66 -1.58 -0.17 0.00 -1.81 0.00 0.00 61.98 59.08 3lin s VAL 112 Cb -0.37 -1.23 -0.05 0.00 0.56 0.00 0.00 36.38 35.30 3lin s VAL 112 CO 0.45 -0.69 0.46 -0.22 -0.31 0.00 0.00 175.10 174.78 3lin s LEU 113 N -2.45 4.31 -0.20 1.32 2.96 -1.26 -5.08 118.68 118.28 3lin s LEU 113 Ca 0.03 0.83 -0.01 0.00 -0.22 0.00 0.00 54.13 54.76 3lin s LEU 113 Cb -0.01 -2.66 0.02 0.00 0.50 0.00 0.00 46.19 44.04 3lin s LEU 113 CO -0.03 0.06 -0.13 -0.47 -1.32 0.00 0.00 176.35 174.46 3lin s TYR 114 N 0.33 2.89 -0.34 5.38 5.04 -1.26 -5.07 117.35 124.32 3lin s TYR 114 Ca 0.25 -1.47 -0.07 0.00 -2.44 0.00 0.00 57.07 53.34 3lin s TYR 114 Cb -0.15 -1.99 0.04 0.00 0.35 0.00 0.00 41.96 40.20 3lin s TYR 114 CO 0.10 -0.73 0.11 -0.51 -1.34 0.00 0.00 175.55 173.18 3lin s LEU 115 N 1.34 4.32 0.00 6.97 1.43 -1.26 -5.13 118.68 126.34 3lin s LEU 115 Ca 0.04 -1.12 0.08 0.00 -1.03 0.00 0.00 54.13 52.09 3lin s LEU 115 Cb -0.14 -1.87 0.47 0.00 0.03 0.00 0.00 46.19 44.67 3lin s LEU 115 CO -0.09 -0.32 0.92 -2.65 0.23 0.00 0.00 176.35 174.44