#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 5.23 -0.28 0.52 1.01 -1.26 -5.06 120.40 120.55 3lin s VAL 2 Ca 0.00 0.78 0.03 0.00 0.00 0.00 0.00 61.98 62.79 3lin s VAL 2 Cb 0.00 -3.74 0.07 0.00 0.00 0.00 0.00 36.38 32.72 3lin s VAL 2 CO 0.00 0.37 -0.05 -0.63 0.00 0.00 0.00 175.10 174.79 3lin s ILE 3 N 0.46 2.11 0.60 2.22 1.01 -1.26 -5.11 121.20 121.23 3lin s ILE 3 Ca 0.22 -1.81 -0.19 0.00 0.00 0.00 0.00 60.65 58.87 3lin s ILE 3 Cb -0.14 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 39.95 3lin s ILE 3 CO 0.08 -0.23 1.23 -2.84 0.00 0.00 0.00 174.94 173.18 3lin s PRO 4 N 1.08 2.92 -0.15 2.79 0.02 -1.26 -5.01 135.00 135.39 3lin s PRO 4 Ca -0.02 1.89 -0.04 0.00 0.02 0.00 0.00 61.00 62.85 3lin s PRO 4 Cb -0.20 -1.94 -0.03 0.00 0.02 0.00 0.00 34.50 32.36 3lin s PRO 4 CO -0.07 -1.27 -0.03 -0.51 -0.33 0.00 0.00 177.00 174.80 3lin s LEU 5 N -4.08 3.32 -0.18 -5.54 1.43 -1.26 -4.83 118.68 107.54 3lin s LEU 5 Ca 0.78 -0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.73 3lin s LEU 5 Cb -0.32 -1.80 0.08 0.00 0.03 0.00 0.00 46.19 44.18 3lin s LEU 5 CO 0.35 0.20 0.38 -0.62 0.23 0.00 0.00 176.35 176.89 3lin s ASP 6 N 0.21 -0.15 0.45 2.29 -1.08 -1.26 -5.05 116.67 112.07 3lin s ASP 6 Ca -0.01 0.90 0.16 0.00 -0.52 0.00 0.00 52.55 53.07 3lin s ASP 6 Cb -0.14 1.16 1.09 0.00 -1.46 0.00 0.00 42.92 43.57 3lin s ASP 6 CO 0.03 -0.23 1.97 1.55 0.52 0.00 0.00 175.17 179.00 3lin h PRO 7 N 8.10 0.34 0.00 4.34 0.13 -2.03 -2.66 132.00 140.22 3lin h PRO 7 Ca -0.17 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.94 3lin h PRO 7 Cb 1.12 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3lin h PRO 7 CO 0.14 0.23 -0.07 0.00 -0.23 0.00 0.00 178.00 178.07 3lin h ALA 8 N 1.69 0.96 -3.30 -0.56 0.00 -2.03 -3.43 119.26 112.58 3lin h ALA 8 Ca 0.30 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 54.69 3lin h ALA 8 Cb 0.69 0.00 -0.39 0.00 0.00 0.00 0.00 17.79 18.08 3lin h ALA 8 CO -0.08 0.00 -0.77 1.03 0.00 0.00 0.00 179.25 179.43 3lin s ARG 9 N -3.14 0.79 0.23 0.00 0.52 -1.00 -5.12 118.95 111.23 3lin s ARG 9 Ca 0.09 -0.43 -0.30 0.00 -0.52 0.00 0.00 55.73 54.57 3lin s ARG 9 Cb 0.11 -2.04 -0.10 0.00 0.52 0.00 0.00 34.95 33.44 3lin s ARG 9 CO 0.63 -0.59 1.46 1.03 0.02 0.00 0.00 175.30 177.85 3lin s ARG 10 N 1.81 4.26 -0.30 3.54 0.52 -1.26 -4.32 118.95 123.20 3lin s ARG 10 Ca -0.01 2.31 -0.29 0.00 -0.52 0.00 0.00 55.73 57.23 3lin s ARG 10 Cb -0.17 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 3lin s ARG 10 CO -0.08 -0.45 1.77 -1.25 0.02 0.00 0.00 175.30 175.31 3lin s PRO 11 N -0.11 3.44 0.15 3.54 0.04 -1.26 -4.98 135.00 135.83 3lin s PRO 11 Ca 0.61 1.51 0.06 0.00 0.04 0.00 0.00 61.00 63.22 3lin s PRO 11 Cb -0.42 -4.17 -0.04 0.00 0.04 0.00 0.00 34.50 29.91 3lin s PRO 11 CO 0.41 -1.73 -0.13 0.14 0.04 0.00 0.00 177.00 175.74 3lin s VAL 12 N 6.51 1.38 0.00 -0.36 -7.23 -1.26 -0.34 120.40 119.10 3lin s VAL 12 Ca 0.79 -1.94 -0.06 0.00 -1.81 0.00 0.00 61.98 58.96 3lin s VAL 12 Cb -0.24 -1.75 -0.00 0.00 0.56 0.00 0.00 36.38 34.95 3lin s VAL 12 CO 0.33 -0.56 0.11 -0.51 -0.31 0.00 0.00 175.10 174.16 3lin s ILE 13 N -2.70 0.08 -0.04 -0.62 2.07 -0.22 -4.91 121.20 114.87 3lin s ILE 13 Ca 0.15 -0.65 -0.24 0.00 -1.41 0.00 0.00 60.65 58.50 3lin s ILE 13 Cb -0.02 -0.38 -0.04 0.00 0.13 0.00 0.00 42.46 42.16 3lin s ILE 13 CO 0.03 -0.36 0.72 -0.54 -1.91 0.00 0.00 174.94 172.88 3lin s LYS 14 N -1.24 4.44 0.00 3.50 -0.14 -1.26 -0.09 119.74 124.96 3lin s LYS 14 Ca -0.13 0.93 -0.00 0.00 -1.36 0.00 0.00 55.97 55.40 3lin s LYS 14 Cb -0.07 -3.42 -0.00 0.00 -1.68 0.00 0.00 37.83 32.65 3lin s LYS 14 CO 0.01 0.13 -0.00 0.00 -0.76 0.00 0.00 175.35 174.72 3lin s ALA 15 N 0.56 0.02 -0.33 5.17 0.00 0.01 -4.09 121.76 123.09 3lin s ALA 15 Ca 0.38 -0.14 -0.17 0.00 0.00 0.00 0.00 51.96 52.02 3lin s ALA 15 Cb -0.18 0.03 -0.01 0.00 0.00 0.00 0.00 23.12 22.96 3lin s ALA 15 CO 0.19 -0.04 0.46 -1.14 0.00 0.00 0.00 175.76 175.23 3lin s GLN 16 N -0.38 3.68 -0.23 0.00 0.74 0.65 -0.64 119.66 123.47 3lin s GLN 16 Ca -0.04 -0.16 -0.09 0.00 0.05 0.00 0.00 55.36 55.11 3lin s GLN 16 Cb -0.03 -3.78 -0.04 0.00 1.10 0.00 0.00 33.01 30.26 3lin s GLN 16 CO -0.00 -0.56 0.12 0.08 -0.55 0.00 0.00 175.29 174.38 3lin s VAL 17 N 2.26 4.94 -0.45 1.34 1.01 0.61 -1.02 120.40 129.09 3lin s VAL 17 Ca 0.17 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.13 3lin s VAL 17 Cb -0.16 -3.29 0.12 0.00 0.00 0.00 0.00 36.38 33.05 3lin s VAL 17 CO 0.12 0.36 0.28 -0.62 0.00 0.00 0.00 175.10 175.24 3lin s ASP 18 N 1.13 5.44 0.00 3.32 2.15 0.18 -1.80 116.67 127.09 3lin s ASP 18 Ca 0.06 -2.05 0.23 0.00 0.43 0.00 0.00 52.55 51.22 3lin s ASP 18 Cb -0.14 -1.90 1.19 0.00 -0.30 0.00 0.00 42.92 41.77 3lin s ASP 18 CO 0.04 -0.59 1.76 0.35 -0.17 0.00 0.00 175.17 176.56 3lin n THR 19 N 4.63 0.24 -1.73 1.71 -2.24 -1.26 -0.92 114.28 114.71 3lin n THR 19 Ca -0.03 0.06 -0.20 0.00 -2.27 0.00 0.00 64.05 61.61 3lin n THR 19 Cb 0.41 -0.68 -0.07 0.00 -2.10 0.00 0.00 70.33 67.89 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 -1.25 -1.43 0.00 -0.78 6.02 -1.26 -4.82 117.38 113.86 3lin n GLN 20 Ca 0.12 1.16 0.00 0.00 -0.01 0.00 0.00 57.00 58.26 3lin n GLN 20 Cb 0.17 -5.55 0.00 0.00 1.02 0.00 0.00 30.24 25.88 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 -2.73 0.21 -3.62 5.09 -2.24 -1.26 -5.08 114.28 104.65 3lin n THR 21 Ca -0.21 -0.41 -0.04 0.00 -2.27 0.00 0.00 64.05 61.12 3lin n THR 21 Cb 0.66 1.15 -0.03 0.00 -2.10 0.00 0.00 70.33 70.01 3lin n THR 21 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3lin s SER 22 N -0.21 -0.09 0.61 3.42 0.15 -1.26 -3.81 113.70 112.50 3lin s SER 22 Ca 0.00 0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.50 3lin s SER 22 Cb 0.00 0.09 -0.03 0.00 -1.71 0.00 0.00 66.02 64.37 3lin s SER 22 CO 0.00 -0.13 1.30 -1.38 1.20 0.00 0.00 173.24 174.24 3lin s HIS 23 N -1.79 2.18 0.46 3.44 -3.43 -1.26 -4.60 115.29 110.29 3lin s HIS 23 Ca 0.09 1.45 -0.25 0.00 -0.80 0.00 0.00 55.06 55.56 3lin s HIS 23 Cb -0.01 -3.71 -0.08 0.00 -1.43 0.00 0.00 32.58 27.36 3lin s HIS 23 CO -0.05 -2.84 1.38 -2.30 -2.00 0.00 0.00 174.74 168.94 3lin n PRO 24 N -1.59 2.07 -4.19 -0.38 -0.02 -1.26 -4.88 135.00 124.75 3lin n PRO 24 Ca 0.14 0.74 -0.18 0.00 -2.02 0.00 0.00 63.50 62.18 3lin n PRO 24 Cb 0.47 -2.56 -0.15 0.00 -0.02 0.00 0.00 33.50 31.23 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 -2.48 0.66 -0.13 -0.52 1.02 -0.74 -4.93 119.74 112.62 3lin s LYS 25 Ca 0.63 -0.15 -0.28 0.00 0.02 0.00 0.00 55.97 56.19 3lin s LYS 25 Cb -0.45 -0.67 -0.01 0.00 -0.52 0.00 0.00 37.83 36.18 3lin s LYS 25 CO 0.56 0.02 0.95 0.99 -0.92 0.00 0.00 175.35 176.94 3lin s THR 26 N 0.43 4.81 0.22 2.17 2.01 -1.26 -0.28 115.64 123.74 3lin s THR 26 Ca -0.05 1.90 0.08 0.00 0.31 0.00 0.00 61.69 63.92 3lin s THR 26 Cb -0.09 -4.25 -0.05 0.00 0.01 0.00 0.00 72.50 68.12 3lin s THR 26 CO -0.00 0.01 -0.13 0.27 -0.69 0.00 0.00 174.62 174.07 3lin s ILE 27 N 2.10 1.75 -0.17 1.82 -5.25 0.18 -4.91 121.20 116.72 3lin s ILE 27 Ca 0.45 -2.21 -0.22 0.00 -0.99 0.00 0.00 60.65 57.68 3lin s ILE 27 Cb -0.17 -2.13 -0.02 0.00 2.95 0.00 0.00 42.46 43.08 3lin s ILE 27 CO 0.15 -0.53 0.69 -0.70 -1.79 0.00 0.00 174.94 172.76 3lin s GLU 28 N -3.65 4.27 -0.01 0.37 2.12 -1.26 -0.81 118.70 119.73 3lin s GLU 28 Ca 0.24 0.76 0.07 0.00 0.36 0.00 0.00 54.97 56.40 3lin s GLU 28 Cb -0.00 -3.55 -0.02 0.00 0.26 0.00 0.00 34.13 30.82 3lin s GLU 28 CO 0.08 -0.21 -0.23 0.00 -0.54 0.00 0.00 175.26 174.36 3lin s ALA 29 N 1.78 1.93 0.11 6.30 0.00 0.87 -4.66 121.76 128.10 3lin s ALA 29 Ca 0.32 -1.02 -0.31 0.00 0.00 0.00 0.00 51.96 50.95 3lin s ALA 29 Cb -0.16 -0.47 -0.08 0.00 0.00 0.00 0.00 23.12 22.41 3lin s ALA 29 CO 0.12 0.47 1.40 -1.17 0.00 0.00 0.00 175.76 176.58 3lin s LEU 30 N -0.67 4.37 -0.42 0.00 2.96 -0.32 -1.05 118.68 123.55 3lin s LEU 30 Ca 0.09 2.34 -0.25 0.00 -0.22 0.00 0.00 54.13 56.09 3lin s LEU 30 Cb -0.09 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.04 3lin s LEU 30 CO -0.00 -0.67 0.87 -0.76 -1.32 0.00 0.00 176.35 174.47 3lin s LEU 31 N 1.16 4.08 -0.36 -0.68 1.43 0.54 -0.44 118.68 124.41 3lin s LEU 31 Ca 0.65 0.19 0.01 0.00 -1.03 0.00 0.00 54.13 53.95 3lin s LEU 31 Cb -0.37 -3.12 0.11 0.00 0.03 0.00 0.00 46.19 42.84 3lin s LEU 31 CO 0.30 -0.93 0.14 -0.62 0.23 0.00 0.00 176.35 175.47 3lin s ASP 32 N 2.09 3.98 0.30 2.29 -1.08 -0.58 -4.80 116.67 118.88 3lin s ASP 32 Ca 0.35 -2.02 0.25 0.00 -0.52 0.00 0.00 52.55 50.60 3lin s ASP 32 Cb -0.11 -1.00 1.05 0.00 -1.46 0.00 0.00 42.92 41.39 3lin s ASP 32 CO 0.23 -0.36 1.75 0.71 0.52 0.00 0.00 175.17 178.01 3lin h THR 33 N 6.09 0.00 -0.01 1.71 1.35 -1.93 -1.51 112.91 118.61 3lin h THR 33 Ca -0.08 -0.25 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 3lin h THR 33 Cb 0.99 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.41 3lin h THR 33 CO 0.48 0.00 -0.13 0.61 -0.25 0.00 0.00 175.52 176.23 3lin n GLY 34 N -0.07 -0.47 3.64 5.82 0.00 -1.26 -4.79 105.19 108.06 3lin n GLY 34 Ca 0.02 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.29 3.58 0.29 4.61 0.00 -0.57 -4.97 121.76 122.41 3lin s ALA 35 Ca 0.31 -0.44 0.01 0.00 0.00 0.00 0.00 51.96 51.84 3lin s ALA 35 Cb 0.20 -2.93 0.45 0.00 0.00 0.00 0.00 23.12 20.83 3lin s ALA 35 CO 0.44 -0.66 1.79 -0.44 0.00 0.00 0.00 175.76 176.89 3lin h ASP 36 N 7.76 0.60 -5.47 0.00 3.32 -1.88 0.32 116.42 121.07 3lin h ASP 36 Ca -0.30 -0.15 -0.20 0.00 0.02 0.00 0.00 57.03 56.41 3lin h ASP 36 Cb 1.14 -0.16 -0.15 0.00 0.22 0.00 0.00 39.33 40.38 3lin h ASP 36 CO 0.75 0.71 -0.60 0.00 -1.72 0.00 0.00 179.24 178.38 3lin s MET 37 N -4.87 1.06 0.31 3.56 0.23 -1.26 -3.73 119.30 114.59 3lin s MET 37 Ca -0.08 -1.49 -0.22 0.00 -1.03 0.00 0.00 55.69 52.87 3lin s MET 37 Cb 0.15 0.27 -0.09 0.00 -1.53 0.00 0.00 34.83 33.62 3lin s MET 37 CO 0.79 -0.33 0.85 0.99 -2.03 0.00 0.00 175.02 175.29 3lin s THR 38 N -4.08 4.42 -0.12 3.16 2.01 -1.26 -4.26 115.64 115.51 3lin s THR 38 Ca 0.29 1.48 0.02 0.00 0.31 0.00 0.00 61.69 63.79 3lin s THR 38 Cb 0.07 -3.83 -0.01 0.00 0.01 0.00 0.00 72.50 68.74 3lin s THR 38 CO 0.06 0.03 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.14 3lin s VAL 39 N -1.74 2.53 -0.07 3.82 1.01 0.36 -1.05 120.40 125.25 3lin s VAL 39 Ca 0.51 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.67 3lin s VAL 39 Cb -0.15 -2.02 -0.02 0.00 0.00 0.00 0.00 36.38 34.19 3lin s VAL 39 CO 0.20 0.54 -0.15 -0.63 0.00 0.00 0.00 175.10 175.06 3lin s ILE 40 N 0.36 2.97 0.38 2.22 -1.09 -0.27 -1.17 121.20 124.60 3lin s ILE 40 Ca -0.15 -0.74 -0.27 0.00 -2.23 0.00 0.00 60.65 57.26 3lin s ILE 40 Cb -0.17 -2.18 -0.10 0.00 -1.58 0.00 0.00 42.46 38.43 3lin s ILE 40 CO 0.07 0.57 1.35 -2.84 -1.23 0.00 0.00 174.94 172.86 3lin s PRO 41 N -0.35 4.08 0.54 2.79 0.02 -1.10 -0.40 135.00 140.57 3lin s PRO 41 Ca 0.03 2.28 0.20 0.00 0.02 0.00 0.00 61.00 63.54 3lin s PRO 41 Cb -0.12 -2.88 1.45 0.00 0.02 0.00 0.00 34.50 32.96 3lin s PRO 41 CO 0.02 -0.45 2.18 0.97 -0.33 0.00 0.00 177.00 179.40 3lin h ILE 42 N 2.71 0.85 -0.08 2.83 2.10 -1.45 -1.96 117.51 122.51 3lin h ILE 42 Ca -0.50 -0.01 0.02 0.00 1.08 0.00 0.00 64.86 65.46 3lin h ILE 42 Cb 1.24 1.01 -0.00 0.00 -1.09 0.00 0.00 36.82 37.97 3lin h ILE 42 CO 0.63 0.00 0.27 0.00 -1.08 0.00 0.00 178.15 177.98 3lin h ALA 43 N 2.00 1.45 -0.02 0.18 0.00 -1.91 -1.36 119.26 119.60 3lin h ALA 43 Ca -0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3lin h ALA 43 Cb 0.01 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3lin h ALA 43 CO 0.00 -0.31 0.00 1.28 0.00 0.00 0.00 179.25 180.22 3lin n LEU 44 N -3.17 0.23 -4.56 0.00 4.77 -0.74 -4.81 117.00 108.71 3lin n LEU 44 Ca -0.00 -0.09 -0.28 0.00 -0.03 0.00 0.00 56.01 55.61 3lin n LEU 44 Cb 0.35 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 41.33 3lin n LEU 44 CO 0.19 0.04 -0.42 -0.36 -1.33 0.00 0.00 177.39 175.51 3lin s PHE 45 N -1.98 2.65 0.56 -1.77 0.08 -0.52 -4.66 117.98 112.34 3lin s PHE 45 Ca 0.35 -0.21 -0.20 0.00 0.12 0.00 0.00 56.93 56.99 3lin s PHE 45 Cb 0.16 -1.33 -0.05 0.00 -0.57 0.00 0.00 43.02 41.24 3lin s PHE 45 CO 0.27 0.48 1.21 -1.54 -0.10 0.00 0.00 175.22 175.53 3lin s SER 46 N -2.61 5.42 0.42 1.36 1.04 -1.25 -4.90 113.70 113.18 3lin s SER 46 Ca 0.23 2.39 0.19 0.00 0.48 0.00 0.00 55.95 59.24 3lin s SER 46 Cb -0.10 -2.60 1.13 0.00 0.10 0.00 0.00 66.02 64.56 3lin s SER 46 CO 0.14 -1.44 1.82 0.28 0.98 0.00 0.00 173.24 175.03 3lin h SER 47 N 1.17 0.39 0.64 7.02 0.02 -1.93 -2.75 113.55 118.10 3lin h SER 47 Ca -0.50 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3lin h SER 47 Cb 1.29 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.81 3lin h SER 47 CO 0.56 0.12 -1.30 0.59 -1.14 0.00 0.00 176.83 175.66 3lin n ASN 48 N -4.53 0.57 -4.49 3.07 3.02 -1.26 -5.02 115.26 106.62 3lin n ASN 48 Ca 0.22 0.17 -0.43 0.00 -0.03 0.00 0.00 54.58 54.51 3lin n ASN 48 Cb 0.81 0.94 -0.00 0.00 -0.61 0.00 0.00 39.78 40.92 3lin n ASN 48 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 3lin n THR 49 N -2.47 1.89 -2.31 3.41 -1.04 -1.04 -4.88 114.28 107.83 3lin n THR 49 Ca -0.01 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 61.08 3lin n THR 49 Cb 0.54 -0.61 -0.03 0.00 -1.82 0.00 0.00 70.33 68.41 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 -1.52 4.35 0.12 -2.82 0.02 -1.26 -5.03 135.00 128.86 3lin s PRO 50 Ca 0.62 1.88 0.07 0.00 0.02 0.00 0.00 61.00 63.59 3lin s PRO 50 Cb -0.67 -3.43 -0.04 0.00 0.02 0.00 0.00 34.50 30.39 3lin s PRO 50 CO 0.58 -0.42 -0.17 -0.51 -0.33 0.00 0.00 177.00 176.15 3lin s LEU 51 N 1.65 2.37 -0.16 -5.54 1.43 -1.26 -4.05 118.68 113.12 3lin s LEU 51 Ca 0.61 -0.76 -0.09 0.00 -1.03 0.00 0.00 54.13 52.85 3lin s LEU 51 Cb -0.31 -0.69 -0.05 0.00 0.03 0.00 0.00 46.19 45.17 3lin s LEU 51 CO 0.27 -0.06 0.16 -0.54 0.23 0.00 0.00 176.35 176.42 3lin s LYS 52 N -2.36 3.90 0.54 1.70 1.02 0.42 -4.88 119.74 120.08 3lin s LYS 52 Ca 0.08 -0.12 -0.21 0.00 0.02 0.00 0.00 55.97 55.73 3lin s LYS 52 Cb -0.07 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.87 3lin s LYS 52 CO 0.04 0.49 1.32 -0.80 -0.92 0.00 0.00 175.35 175.48 3lin s ASN 53 N -0.22 5.34 0.16 2.83 0.01 -1.26 0.06 114.94 121.86 3lin s ASN 53 Ca 0.12 2.67 -0.20 0.00 -0.71 0.00 0.00 52.86 54.74 3lin s ASN 53 Cb -0.12 -2.63 0.05 0.00 0.41 0.00 0.00 41.25 38.97 3lin s ASN 53 CO 0.02 -1.51 0.52 0.28 -1.51 0.00 0.00 177.10 174.90 3lin s THR 54 N -1.36 0.03 -0.16 1.60 -1.32 -1.25 -4.72 115.64 108.46 3lin s THR 54 Ca 0.72 -0.32 -0.04 0.00 -1.21 0.00 0.00 61.69 60.83 3lin s THR 54 Cb -0.38 -1.16 -0.03 0.00 -1.51 0.00 0.00 72.50 69.42 3lin s THR 54 CO 0.44 -0.13 -0.01 -0.55 -2.21 0.00 0.00 174.62 172.17 3lin s SER 55 N -2.79 5.02 -0.02 8.08 0.15 -1.26 -4.48 113.70 118.40 3lin s SER 55 Ca 0.03 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.65 3lin s SER 55 Cb -0.00 -1.81 -0.00 0.00 -1.71 0.00 0.00 66.02 62.49 3lin s SER 55 CO -0.11 0.18 -0.13 -0.69 1.20 0.00 0.00 173.24 173.69 3lin s VAL 56 N 0.30 1.07 -0.27 4.45 1.01 0.17 -4.99 120.40 122.15 3lin s VAL 56 Ca -0.02 -0.54 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3lin s VAL 56 Cb -0.14 -0.92 -0.05 0.00 0.00 0.00 0.00 36.38 35.27 3lin s VAL 56 CO 0.02 0.31 0.18 -0.22 0.00 0.00 0.00 175.10 175.40 3lin s LEU 57 N -0.04 4.02 0.00 3.92 1.98 -1.26 -0.40 118.68 126.89 3lin s LEU 57 Ca -0.00 0.01 0.01 0.00 -2.89 0.00 0.00 54.13 51.26 3lin s LEU 57 Cb -0.08 -2.11 -0.00 0.00 0.66 0.00 0.00 46.19 44.66 3lin s LEU 57 CO 0.01 -0.03 0.04 0.61 -1.89 0.00 0.00 176.35 175.09 3lin n GLY 58 N 4.90 3.86 0.26 7.98 0.00 -0.75 -5.01 105.19 116.44 3lin n GLY 58 Ca -0.14 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.08 3lin n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3lin h ALA 59 N 1.19 1.60 0.00 4.61 0.00 -2.03 -0.19 119.26 124.43 3lin h ALA 59 Ca -0.07 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3lin h ALA 59 Cb 0.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 3lin h ALA 59 CO 0.11 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.87 3lin n GLY 60 N -1.12 -1.11 0.00 0.00 0.00 -1.26 -5.03 105.19 96.66 3lin n GLY 60 Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.99 -1.65 3.73 -0.02 0.00 -0.09 -5.01 105.19 103.15 3lin n GLY 61 Ca 0.16 -2.03 -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 1.20 0.00 0.00 0.00 173.32 174.52 3lin s GLN 62 N 0.00 4.53 -0.04 1.61 -1.52 -1.26 -1.81 119.66 121.17 3lin s GLN 62 Ca 0.00 1.15 0.05 0.00 -1.95 0.00 0.00 55.36 54.61 3lin s GLN 62 Cb 0.00 -3.40 -0.01 0.00 -0.22 0.00 0.00 33.01 29.38 3lin s GLN 62 CO 0.00 0.15 -0.19 -0.08 -0.25 0.00 0.00 175.29 174.92 3lin s THR 63 N 0.37 1.57 -0.13 -0.19 -1.32 0.46 -4.99 115.64 111.42 3lin s THR 63 Ca 0.42 -0.81 0.15 0.00 -1.21 0.00 0.00 61.69 60.25 3lin s THR 63 Cb -0.20 -1.34 -0.23 0.00 -1.51 0.00 0.00 72.50 69.22 3lin s THR 63 CO 0.24 0.45 0.38 0.00 -2.21 0.00 0.00 174.62 173.48 3lin n GLN 64 N 2.98 0.71 0.00 7.08 1.13 -1.26 -0.66 117.38 127.36 3lin n GLN 64 Ca -0.17 -0.12 0.03 0.00 -1.94 0.00 0.00 57.00 54.80 3lin n GLN 64 Cb 0.53 -1.34 -0.01 0.00 0.11 0.00 0.00 30.24 29.52 3lin n GLN 64 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3lin n ASP 65 N -1.93 0.63 0.09 1.08 9.92 -1.26 -4.40 116.55 120.67 3lin n ASP 65 Ca -0.02 -0.81 -0.11 0.00 -0.53 0.00 0.00 54.79 53.31 3lin n ASP 65 Cb 0.38 0.71 -0.09 0.00 -0.64 0.00 0.00 41.12 41.48 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 0.13 0.00 0.00 177.20 177.78 3lin h HIS 66 N 0.36 0.32 -4.11 1.24 3.86 -1.89 -3.46 115.15 111.46 3lin h HIS 66 Ca 0.00 -0.21 -0.64 0.00 -1.16 0.00 0.00 60.37 58.36 3lin h HIS 66 Cb 0.17 -0.02 -0.24 0.00 1.06 0.00 0.00 27.41 28.37 3lin h HIS 66 CO 0.00 1.11 -0.86 -0.06 0.86 0.00 0.00 177.93 178.99 3lin s PHE 67 N -2.86 2.07 0.35 2.45 0.08 -1.26 -1.18 117.98 117.63 3lin s PHE 67 Ca -0.02 -0.39 0.09 0.00 0.12 0.00 0.00 56.93 56.72 3lin s PHE 67 Cb 0.09 -1.20 -0.06 0.00 -0.57 0.00 0.00 43.02 41.28 3lin s PHE 67 CO 0.85 0.18 -0.02 0.15 -0.10 0.00 0.00 175.22 176.28 3lin s LYS 68 N -1.51 1.99 -0.04 0.44 -0.14 -0.69 -3.89 119.74 115.90 3lin s LYS 68 Ca 0.10 -1.84 -0.02 0.00 -1.36 0.00 0.00 55.97 52.85 3lin s LYS 68 Cb -0.10 -1.84 -0.04 0.00 -1.68 0.00 0.00 37.83 34.18 3lin s LYS 68 CO 0.03 0.12 0.09 -1.17 -0.76 0.00 0.00 175.35 173.65 3lin s LEU 69 N -3.69 3.97 0.79 3.17 2.96 0.11 0.07 118.68 126.07 3lin s LEU 69 Ca 0.34 0.22 -0.11 0.00 -0.22 0.00 0.00 54.13 54.37 3lin s LEU 69 Cb 0.02 -2.18 0.07 0.00 0.50 0.00 0.00 46.19 44.60 3lin s LEU 69 CO 0.18 0.32 1.11 0.42 -1.32 0.00 0.00 176.35 177.06 3lin s THR 70 N -1.12 3.03 -0.15 3.68 -4.23 -0.73 -0.44 115.64 115.68 3lin s THR 70 Ca 0.20 0.35 0.19 0.00 -1.18 0.00 0.00 61.69 61.25 3lin s THR 70 Cb -0.12 -2.74 -0.27 0.00 1.34 0.00 0.00 72.50 70.71 3lin s THR 70 CO 0.10 -0.42 0.18 -1.20 -0.54 0.00 0.00 174.62 172.74 3lin n SER 71 N -3.58 0.03 -4.54 3.99 7.64 -1.26 -4.69 113.62 111.21 3lin n SER 71 Ca 0.10 0.00 -0.28 0.00 1.01 0.00 0.00 58.87 59.70 3lin n SER 71 Cb 0.53 1.27 -0.10 0.00 -1.01 0.00 0.00 64.21 64.90 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 -5.21 2.87 0.79 -3.43 1.43 -1.26 -5.08 118.68 108.78 3lin s LEU 72 Ca -0.09 -0.54 -0.15 0.00 -1.03 0.00 0.00 54.13 52.31 3lin s LEU 72 Cb 0.08 -1.63 0.00 0.00 0.03 0.00 0.00 46.19 44.67 3lin s LEU 72 CO 0.85 0.15 0.64 -2.65 0.23 0.00 0.00 176.35 175.56 3lin n PRO 73 N 0.45 0.15 -4.70 1.29 -0.02 -1.24 -4.80 135.00 126.14 3lin n PRO 73 Ca -0.13 0.10 -0.33 0.00 -2.02 0.00 0.00 63.50 61.12 3lin n PRO 73 Cb 0.54 -1.96 -0.13 0.00 -0.02 0.00 0.00 33.50 31.92 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 -2.06 3.30 -0.12 -1.45 1.01 0.01 -4.57 120.40 116.51 3lin s VAL 74 Ca 0.65 -0.59 -0.05 0.00 0.00 0.00 0.00 61.98 61.99 3lin s VAL 74 Cb -0.30 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 3lin s VAL 74 CO 0.59 0.54 0.07 -0.76 0.00 0.00 0.00 175.10 175.53 3lin s LEU 75 N 0.05 3.94 -0.08 3.92 1.43 -0.09 -1.16 118.68 126.69 3lin s LEU 75 Ca -0.04 0.25 0.01 0.00 -1.03 0.00 0.00 54.13 53.33 3lin s LEU 75 Cb -0.14 -1.95 0.02 0.00 0.03 0.00 0.00 46.19 44.15 3lin s LEU 75 CO 0.04 0.34 -0.10 -0.63 0.23 0.00 0.00 176.35 176.23 3lin s ILE 76 N -0.65 1.06 -0.14 -0.59 1.01 -0.32 0.51 121.20 122.08 3lin s ILE 76 Ca 0.12 -0.39 -0.00 0.00 0.00 0.00 0.00 60.65 60.37 3lin s ILE 76 Cb -0.12 -1.01 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3lin s ILE 76 CO 0.02 0.35 -0.14 -0.13 0.00 0.00 0.00 174.94 175.05 3lin s ARG 77 N 1.03 3.32 0.31 2.79 0.52 -0.19 -0.35 118.95 126.38 3lin s ARG 77 Ca -0.08 -0.71 -0.03 0.00 -0.52 0.00 0.00 55.73 54.39 3lin s ARG 77 Cb -0.15 -2.64 -0.05 0.00 0.52 0.00 0.00 34.95 32.64 3lin s ARG 77 CO -0.01 0.13 0.55 -0.51 0.02 0.00 0.00 175.30 175.48 3lin s LEU 78 N 0.56 4.03 0.26 2.53 1.02 -1.26 -0.25 118.68 125.57 3lin s LEU 78 Ca -0.09 0.64 -0.02 0.00 0.02 0.00 0.00 54.13 54.69 3lin s LEU 78 Cb -0.16 -3.47 0.50 0.00 0.02 0.00 0.00 46.19 43.08 3lin s LEU 78 CO 0.04 -0.23 1.77 -0.65 0.02 0.00 0.00 176.35 177.30 3lin h PRO 79 N 1.40 0.63 -0.48 1.29 0.11 -2.00 -3.06 132.00 129.89 3lin h PRO 79 Ca -0.48 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3lin h PRO 79 Cb 1.20 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3lin h PRO 79 CO 0.65 0.42 0.00 1.97 -0.21 0.00 0.00 178.00 180.83 3lin n PHE 80 N -4.85 0.64 -4.12 0.65 -1.74 -1.26 -4.88 117.46 101.90 3lin n PHE 80 Ca 0.16 -0.32 -0.17 0.00 -0.56 0.00 0.00 57.45 56.56 3lin n PHE 80 Cb 0.40 0.00 -0.15 0.00 1.52 0.00 0.00 39.48 41.25 3lin n PHE 80 CO 0.00 0.00 0.00 1.03 -0.56 0.00 0.00 176.76 177.23 3lin s ARG 81 N -1.36 0.52 0.01 3.97 0.52 -1.16 -5.05 118.95 116.39 3lin s ARG 81 Ca 0.39 -0.11 -0.14 0.00 -0.52 0.00 0.00 55.73 55.36 3lin s ARG 81 Cb 0.21 -0.56 -0.34 0.00 0.52 0.00 0.00 34.95 34.79 3lin s ARG 81 CO 0.29 0.00 0.90 1.79 0.02 0.00 0.00 175.30 178.31 3lin h THR 82 N 5.63 1.18 -3.41 0.02 1.35 -1.90 -3.37 112.91 112.41 3lin h THR 82 Ca -0.35 -2.66 -0.52 0.00 -0.55 0.00 0.00 66.41 62.34 3lin h THR 82 Cb 1.17 2.96 0.03 0.00 -1.73 0.00 0.00 68.15 70.57 3lin h THR 82 CO 0.49 0.83 0.63 -0.89 -0.25 0.00 0.00 175.52 176.33 3lin s THR 83 N -2.60 3.27 0.46 6.82 2.01 -1.26 -5.01 115.64 119.33 3lin s THR 83 Ca -0.11 1.05 -0.21 0.00 0.31 0.00 0.00 61.69 62.74 3lin s THR 83 Cb 0.05 -3.67 -0.10 0.00 0.01 0.00 0.00 72.50 68.78 3lin s THR 83 CO 0.92 0.16 0.99 -2.16 -0.69 0.00 0.00 174.62 173.84 3lin s PRO 84 N -0.17 4.03 0.31 4.92 0.04 -1.26 -4.76 135.00 138.11 3lin s PRO 84 Ca 0.56 1.22 -0.29 0.00 0.04 0.00 0.00 61.00 62.53 3lin s PRO 84 Cb -0.36 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 31.94 3lin s PRO 84 CO 0.38 -0.21 1.21 0.42 0.04 0.00 0.00 177.00 178.83 3lin s ILE 85 N -2.10 3.09 -0.20 0.56 1.01 0.53 -4.88 121.20 119.21 3lin s ILE 85 Ca 0.64 1.09 0.01 0.00 0.00 0.00 0.00 60.65 62.39 3lin s ILE 85 Cb -0.12 -3.69 0.04 0.00 0.01 0.00 0.00 42.46 38.70 3lin s ILE 85 CO 0.16 0.25 -0.12 -0.69 0.00 0.00 0.00 174.94 174.55 3lin s VAL 86 N -1.16 1.77 -0.25 2.92 1.01 -1.26 -1.17 120.40 122.25 3lin s VAL 86 Ca 0.47 -1.08 -0.09 0.00 0.00 0.00 0.00 61.98 61.28 3lin s VAL 86 Cb -0.36 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 3lin s VAL 86 CO 0.47 0.20 0.13 -0.76 0.00 0.00 0.00 175.10 175.14 3lin s LEU 87 N 1.34 3.79 0.30 3.92 1.43 -0.30 -4.95 118.68 124.20 3lin s LEU 87 Ca -0.01 -0.06 -0.00 0.00 -1.03 0.00 0.00 54.13 53.02 3lin s LEU 87 Cb -0.16 -2.03 0.45 0.00 0.03 0.00 0.00 46.19 44.48 3lin s LEU 87 CO -0.08 -0.01 1.87 0.74 0.23 0.00 0.00 176.35 179.10 3lin h THR 88 N 5.34 1.21 -2.86 5.49 2.02 -1.94 0.06 112.91 122.23 3lin h THR 88 Ca -0.37 -0.68 -0.13 0.00 0.77 0.00 0.00 66.41 65.99 3lin h THR 88 Cb 1.18 0.55 -0.24 0.00 -1.74 0.00 0.00 68.15 67.90 3lin h THR 88 CO 0.59 0.27 -0.29 -0.55 0.37 0.00 0.00 175.52 175.91 3lin s SER 89 N -6.54 -0.37 0.24 4.18 0.15 -1.26 -3.58 113.70 106.52 3lin s SER 89 Ca -0.10 0.70 -0.06 0.00 0.70 0.00 0.00 55.95 57.19 3lin s SER 89 Cb 0.16 0.72 0.02 0.00 -1.71 0.00 0.00 66.02 65.21 3lin s SER 89 CO 0.79 -0.14 0.42 0.00 1.20 0.00 0.00 173.24 175.51 3lin s LEU 91 N 0.00 4.17 -0.13 0.00 1.43 -0.22 -1.78 118.68 122.15 3lin s LEU 91 Ca 0.14 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.71 3lin s LEU 91 Cb -0.02 -3.25 0.02 0.00 0.03 0.00 0.00 46.19 42.97 3lin s LEU 91 CO 0.10 -0.11 -0.14 -0.69 0.23 0.00 0.00 176.35 175.75 3lin s VAL 92 N -1.97 1.48 -0.37 -1.59 1.01 0.11 -1.12 120.40 117.95 3lin s VAL 92 Ca 0.40 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.50 3lin s VAL 92 Cb -0.11 -1.38 0.02 0.00 0.00 0.00 0.00 36.38 34.91 3lin s VAL 92 CO 0.30 0.44 0.99 -0.62 0.00 0.00 0.00 175.10 176.21 3lin s ASP 93 N 1.26 6.74 0.00 3.32 2.15 0.47 -1.70 116.67 128.90 3lin s ASP 93 Ca -0.01 0.68 0.27 0.00 0.43 0.00 0.00 52.55 53.93 3lin s ASP 93 Cb -0.14 -2.50 0.94 0.00 -0.30 0.00 0.00 42.92 40.93 3lin s ASP 93 CO -0.06 -0.92 1.68 0.35 -0.17 0.00 0.00 175.17 176.06 3lin n THR 94 N 6.06 0.00 0.00 1.71 -2.24 -0.33 -1.10 114.28 118.38 3lin n THR 94 Ca 0.09 -0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3lin n THR 94 Cb 0.48 0.22 0.00 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.71 0.00 0.00 -0.78 5.02 -1.26 -4.94 118.16 115.49 3lin n LYS 95 Ca 0.13 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.54 3lin n LYS 95 Cb 0.32 0.00 0.21 0.00 -0.02 0.00 0.00 35.03 35.54 3lin n LYS 95 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3lin n ASN 96 N -2.24 1.46 -1.35 4.39 2.85 -1.26 -4.96 115.26 114.15 3lin n ASN 96 Ca 0.00 -1.16 -0.09 0.00 -0.11 0.00 0.00 54.58 53.22 3lin n ASN 96 Cb 0.00 0.29 0.01 0.00 1.24 0.00 0.00 39.78 41.33 3lin n ASN 96 CO 0.00 0.00 0.00 -3.20 -2.11 0.00 0.00 177.26 171.95 3lin n ASN 97 N -0.39 -3.38 -4.76 1.20 2.85 -1.26 -4.97 115.26 104.54 3lin n ASN 97 Ca 0.11 -0.11 -0.40 0.00 -0.11 0.00 0.00 54.58 54.07 3lin n ASN 97 Cb 0.40 -2.31 0.02 0.00 1.24 0.00 0.00 39.78 39.13 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 -2.11 0.00 0.00 177.26 175.41 3lin s TRP 98 N -2.77 2.40 -0.17 1.20 0.52 -1.26 -4.76 118.94 114.10 3lin s TRP 98 Ca 0.12 1.26 -0.00 0.00 0.02 0.00 0.00 56.10 57.49 3lin s TRP 98 Cb -0.05 -3.93 0.04 0.00 -1.15 0.00 0.00 33.47 28.38 3lin s TRP 98 CO 0.14 -3.02 -0.06 0.00 0.02 0.00 0.00 176.95 174.03 3lin s ALA 99 N -1.21 1.56 -0.06 0.98 0.00 -1.26 -2.72 121.76 119.05 3lin s ALA 99 Ca 0.63 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.69 3lin s ALA 99 Cb -0.44 -1.16 0.02 0.00 0.00 0.00 0.00 23.12 21.54 3lin s ALA 99 CO 0.56 -0.82 -0.04 0.42 0.00 0.00 0.00 175.76 175.88 3lin s ILE 100 N 1.60 0.56 -0.39 0.00 1.01 -0.32 -1.17 121.20 122.49 3lin s ILE 100 Ca 0.00 -0.09 -0.16 0.00 0.00 0.00 0.00 60.65 60.40 3lin s ILE 100 Cb -0.16 -0.62 0.01 0.00 0.01 0.00 0.00 42.46 41.71 3lin s ILE 100 CO -0.08 0.25 0.35 -0.63 0.00 0.00 0.00 174.94 174.84 3lin s ILE 101 N 1.24 5.18 0.00 2.92 -1.09 0.41 -0.49 121.20 129.38 3lin s ILE 101 Ca -0.06 -0.36 0.00 0.00 -2.23 0.00 0.00 60.65 58.00 3lin s ILE 101 Cb -0.14 -3.92 0.00 0.00 -1.58 0.00 0.00 42.46 36.82 3lin s ILE 101 CO -0.02 -0.27 0.00 0.61 -1.23 0.00 0.00 174.94 174.03 3lin n GLY 102 N 5.10 1.64 0.26 6.18 0.00 -1.26 -1.52 105.19 115.59 3lin n GLY 102 Ca -0.09 -2.07 0.13 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 -0.13 1.61 3.08 -1.06 -1.58 114.38 116.30 3lin h ARG 103 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.06 3lin h ARG 103 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 3lin h ARG 103 CO 0.00 0.12 0.05 0.38 -1.07 0.00 0.00 179.97 179.45 3lin h ASP 104 N 0.00 0.06 -0.20 7.04 2.03 -1.81 0.10 116.42 123.64 3lin h ASP 104 Ca -0.00 0.01 -0.09 0.00 -0.73 0.00 0.00 57.03 56.22 3lin h ASP 104 Cb 0.48 -0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 38.98 3lin h ASP 104 CO 0.02 0.06 -0.22 0.00 -1.03 0.00 0.00 179.24 178.06 3lin h ALA 105 N 1.07 0.30 -0.96 4.15 0.00 -1.86 -3.18 119.26 118.78 3lin h ALA 105 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.64 3lin h ALA 105 Cb 0.02 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.69 3lin h ALA 105 CO -0.05 0.25 0.62 -0.07 0.00 0.00 0.00 179.25 180.01 3lin h LEU 106 N 0.18 1.02 -0.73 0.00 -0.00 -1.17 -1.16 115.31 113.44 3lin h LEU 106 Ca 0.03 -0.00 0.06 0.00 -0.00 0.00 0.00 57.88 57.97 3lin h LEU 106 Cb 0.78 -0.22 -0.06 0.00 -0.00 0.00 0.00 40.66 41.16 3lin h LEU 106 CO 0.05 0.68 0.43 -0.61 -0.00 0.00 0.00 178.44 178.99 3lin h GLN 107 N 1.17 0.77 0.00 1.13 4.15 -0.82 0.16 115.11 121.66 3lin h GLN 107 Ca 0.40 -0.05 -0.08 0.00 0.77 0.00 0.00 58.65 59.69 3lin h GLN 107 Cb 0.07 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 27.58 3lin h GLN 107 CO -0.14 0.51 -0.38 1.96 -1.93 0.00 0.00 178.83 178.85 3lin h GLN 108 N 0.79 0.00 0.00 1.69 4.20 -1.22 -0.79 115.11 119.79 3lin h GLN 108 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 3lin h GLN 108 Cb 0.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.95 3lin h GLN 108 CO -0.17 0.38 0.00 0.00 -0.67 0.00 0.00 178.83 178.37 3lin n GLN 110 N -3.01 -2.46 -2.02 0.00 6.02 -0.30 -4.98 117.38 110.63 3lin n GLN 110 Ca 0.01 0.91 -0.39 0.00 -0.01 0.00 0.00 57.00 57.52 3lin n GLN 110 Cb 0.34 -5.61 -0.00 0.00 1.02 0.00 0.00 30.24 25.99 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 -2.20 2.92 0.09 1.08 0.00 0.48 -5.01 107.32 104.69 3lin s GLY 111 Ca 0.07 1.27 0.03 0.00 0.00 0.00 0.00 44.72 46.09 3lin s GLY 111 CO 0.09 1.86 -0.08 -1.34 0.00 0.00 0.00 173.10 173.62 3lin s VAL 112 N -1.25 0.80 -0.16 1.40 -7.23 -1.26 -4.74 120.40 107.95 3lin s VAL 112 Ca 0.57 -1.70 -0.15 0.00 -1.81 0.00 0.00 61.98 58.89 3lin s VAL 112 Cb -0.39 -1.41 -0.04 0.00 0.56 0.00 0.00 36.38 35.10 3lin s VAL 112 CO 0.50 -0.67 0.34 -0.76 -0.31 0.00 0.00 175.10 174.19 3lin s LEU 113 N -2.60 4.23 -0.22 1.32 1.43 -1.26 -5.08 118.68 116.49 3lin s LEU 113 Ca 0.06 0.55 -0.04 0.00 -1.03 0.00 0.00 54.13 53.68 3lin s LEU 113 Cb -0.00 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.77 3lin s LEU 113 CO -0.02 0.06 -0.04 -0.47 0.23 0.00 0.00 176.35 176.11 3lin s TYR 114 N 0.63 2.97 -0.31 0.29 5.04 -1.26 -5.08 117.35 119.63 3lin s TYR 114 Ca 0.18 -0.96 -0.04 0.00 -2.44 0.00 0.00 57.07 53.82 3lin s TYR 114 Cb -0.14 -2.11 0.04 0.00 0.35 0.00 0.00 41.96 40.11 3lin s TYR 114 CO 0.05 -0.55 0.04 -0.51 -1.34 0.00 0.00 175.55 173.24 3lin s LEU 115 N 1.47 4.01 0.00 6.97 1.43 -1.26 -5.14 118.68 126.17 3lin s LEU 115 Ca 0.05 -1.18 0.00 0.00 -1.03 0.00 0.00 54.13 51.98 3lin s LEU 115 Cb -0.14 -1.77 0.00 0.00 0.03 0.00 0.00 46.19 44.30 3lin s LEU 115 CO -0.03 -0.27 0.25 -2.65 0.23 0.00 0.00 176.35 173.88