#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 5.28 -0.34 0.52 1.01 -1.26 -5.07 120.40 120.55 3lin s VAL 2 Ca 0.00 0.45 -0.02 0.00 0.00 0.00 0.00 61.98 62.41 3lin s VAL 2 Cb 0.00 -3.61 0.07 0.00 0.00 0.00 0.00 36.38 32.84 3lin s VAL 2 CO 0.00 0.31 0.08 -0.63 0.00 0.00 0.00 175.10 174.86 3lin s ILE 3 N 1.11 3.07 0.58 2.22 1.09 -1.26 -5.10 121.20 122.91 3lin s ILE 3 Ca 0.13 -1.69 -0.19 0.00 -1.10 0.00 0.00 60.65 57.80 3lin s ILE 3 Cb -0.14 -2.93 -0.04 0.00 -1.06 0.00 0.00 42.46 38.29 3lin s ILE 3 CO 0.06 -0.36 1.22 -2.84 -0.10 0.00 0.00 174.94 172.92 3lin s PRO 4 N 1.19 3.04 -0.20 2.79 0.02 -1.26 -5.01 135.00 135.57 3lin s PRO 4 Ca 0.01 1.87 -0.05 0.00 0.02 0.00 0.00 61.00 62.85 3lin s PRO 4 Cb -0.21 -2.00 -0.02 0.00 0.02 0.00 0.00 34.50 32.29 3lin s PRO 4 CO -0.03 -1.17 -0.01 -0.51 -0.33 0.00 0.00 177.00 174.96 3lin s LEU 5 N -3.94 3.21 -0.07 -5.54 1.43 -1.26 -4.87 118.68 107.63 3lin s LEU 5 Ca 0.76 -0.22 -0.03 0.00 -1.03 0.00 0.00 54.13 53.61 3lin s LEU 5 Cb -0.31 -1.81 0.04 0.00 0.03 0.00 0.00 46.19 44.14 3lin s LEU 5 CO 0.35 0.06 0.14 -0.62 0.23 0.00 0.00 176.35 176.50 3lin s ASP 6 N 1.04 0.68 0.51 2.29 -1.08 -1.26 -5.04 116.67 113.81 3lin s ASP 6 Ca 0.02 0.28 0.16 0.00 -0.52 0.00 0.00 52.55 52.48 3lin s ASP 6 Cb -0.14 0.18 1.24 0.00 -1.46 0.00 0.00 42.92 42.74 3lin s ASP 6 CO 0.01 -0.23 2.13 1.55 0.52 0.00 0.00 175.17 179.15 3lin h PRO 7 N 8.20 0.05 0.00 4.34 0.13 -2.02 -2.06 132.00 140.63 3lin h PRO 7 Ca -0.18 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.95 3lin h PRO 7 Cb 1.12 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3lin h PRO 7 CO 0.19 0.03 0.00 0.00 -0.23 0.00 0.00 178.00 177.99 3lin h ALA 8 N 1.96 1.00 -3.10 -0.56 0.00 -2.03 -3.42 119.26 113.10 3lin h ALA 8 Ca 0.03 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.43 3lin h ALA 8 Cb 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 17.79 17.46 3lin h ALA 8 CO -0.00 0.00 -0.76 1.03 0.00 0.00 0.00 179.25 179.51 3lin s ARG 9 N -3.12 0.40 0.34 0.00 0.52 -0.78 -5.12 118.95 111.19 3lin s ARG 9 Ca 0.10 -0.43 -0.29 0.00 -0.52 0.00 0.00 55.73 54.59 3lin s ARG 9 Cb 0.12 -1.83 -0.11 0.00 0.52 0.00 0.00 34.95 33.65 3lin s ARG 9 CO 0.59 -0.77 1.50 1.03 0.02 0.00 0.00 175.30 177.67 3lin s ARG 10 N 1.95 4.15 -0.40 3.54 0.52 -1.26 -4.30 118.95 123.15 3lin s ARG 10 Ca 0.03 2.52 -0.28 0.00 -0.52 0.00 0.00 55.73 57.48 3lin s ARG 10 Cb -0.17 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.32 3lin s ARG 10 CO -0.16 -0.53 1.06 -1.25 0.02 0.00 0.00 175.30 174.45 3lin s PRO 11 N -1.45 3.87 0.17 3.54 0.04 -1.26 -4.98 135.00 134.93 3lin s PRO 11 Ca 0.56 0.74 0.06 0.00 0.04 0.00 0.00 61.00 62.41 3lin s PRO 11 Cb -0.46 -3.82 -0.05 0.00 0.04 0.00 0.00 34.50 30.21 3lin s PRO 11 CO 0.56 -1.11 -0.13 0.14 0.04 0.00 0.00 177.00 176.51 3lin s VAL 12 N 3.93 1.47 0.01 -0.36 -7.23 -1.26 -0.75 120.40 116.21 3lin s VAL 12 Ca 0.45 -2.12 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 3lin s VAL 12 Cb -0.10 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.90 3lin s VAL 12 CO 0.23 -0.65 0.06 -0.51 -0.31 0.00 0.00 175.10 173.92 3lin s ILE 13 N -3.08 0.10 0.07 -0.62 2.07 0.13 -4.91 121.20 114.97 3lin s ILE 13 Ca 0.19 -0.82 -0.25 0.00 -1.41 0.00 0.00 60.65 58.35 3lin s ILE 13 Cb 0.00 -0.40 -0.06 0.00 0.13 0.00 0.00 42.46 42.14 3lin s ILE 13 CO 0.04 -0.45 0.78 -0.54 -1.91 0.00 0.00 174.94 172.86 3lin s LYS 14 N -1.52 4.53 -0.08 3.50 -0.14 -1.26 -0.14 119.74 124.62 3lin s LYS 14 Ca -0.14 1.11 -0.07 0.00 -1.36 0.00 0.00 55.97 55.51 3lin s LYS 14 Cb -0.08 -3.34 0.02 0.00 -1.68 0.00 0.00 37.83 32.75 3lin s LYS 14 CO -0.00 0.34 0.22 0.00 -0.76 0.00 0.00 175.35 175.14 3lin s ALA 15 N -0.27 -0.53 -0.25 5.17 0.00 -0.65 -3.99 121.76 121.23 3lin s ALA 15 Ca 0.39 0.61 -0.16 0.00 0.00 0.00 0.00 51.96 52.80 3lin s ALA 15 Cb -0.21 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 3lin s ALA 15 CO 0.24 -0.10 0.43 -1.14 0.00 0.00 0.00 175.76 175.19 3lin s GLN 16 N 0.14 4.07 -0.19 0.00 0.74 0.54 -1.32 119.66 123.64 3lin s GLN 16 Ca -0.00 0.18 -0.04 0.00 0.05 0.00 0.00 55.36 55.54 3lin s GLN 16 Cb -0.02 -3.63 -0.02 0.00 1.10 0.00 0.00 33.01 30.44 3lin s GLN 16 CO 0.00 -0.25 -0.03 0.08 -0.55 0.00 0.00 175.29 174.54 3lin s VAL 17 N 1.99 3.74 -0.40 1.34 1.01 0.42 -0.62 120.40 127.88 3lin s VAL 17 Ca 0.18 -0.39 -0.03 0.00 0.00 0.00 0.00 61.98 61.74 3lin s VAL 17 Cb -0.15 -2.68 0.10 0.00 0.00 0.00 0.00 36.38 33.65 3lin s VAL 17 CO 0.09 0.45 0.20 -0.62 0.00 0.00 0.00 175.10 175.22 3lin s ASP 18 N 0.94 5.27 0.00 3.32 -1.08 0.21 -1.55 116.67 123.78 3lin s ASP 18 Ca 0.00 -1.95 0.30 0.00 -0.52 0.00 0.00 52.55 50.38 3lin s ASP 18 Cb -0.14 -1.84 1.60 0.00 -1.46 0.00 0.00 42.92 41.08 3lin s ASP 18 CO 0.01 -0.53 2.07 0.35 0.52 0.00 0.00 175.17 177.59 3lin n THR 19 N 4.63 0.03 -1.34 1.71 -2.24 -1.26 -1.24 114.28 114.57 3lin n THR 19 Ca -0.04 0.01 -0.12 0.00 -2.27 0.00 0.00 64.05 61.63 3lin n THR 19 Cb 0.42 -0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.07 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 -1.19 -1.45 0.00 -0.78 6.02 -1.26 -4.81 117.38 113.91 3lin n GLN 20 Ca 0.17 0.89 0.00 0.00 -0.01 0.00 0.00 57.00 58.05 3lin n GLN 20 Cb 0.19 -5.19 0.00 0.00 1.02 0.00 0.00 30.24 26.26 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 -2.34 0.00 -3.76 5.09 -2.24 -1.26 -5.07 114.28 104.70 3lin n THR 21 Ca -0.12 -0.47 -0.05 0.00 -2.27 0.00 0.00 64.05 61.14 3lin n THR 21 Cb 0.55 1.02 -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 -0.59 -0.22 0.23 3.42 1.04 -1.26 -4.01 113.70 112.30 3lin s SER 22 Ca 0.00 -0.43 -0.30 0.00 0.48 0.00 0.00 55.95 55.70 3lin s SER 22 Cb 0.00 0.55 -0.15 0.00 0.10 0.00 0.00 66.02 66.52 3lin s SER 22 CO 0.00 -1.02 0.96 1.41 0.98 0.00 0.00 173.24 175.58 3lin n HIS 23 N -0.45 0.91 -1.94 5.02 -0.00 -1.26 -4.58 115.22 112.91 3lin n HIS 23 Ca -0.06 0.76 -0.41 0.00 -0.00 0.00 0.00 57.72 58.01 3lin n HIS 23 Cb 0.60 -2.20 -0.01 0.00 -0.00 0.00 0.00 29.99 28.39 3lin n HIS 23 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 3lin s PRO 24 N -1.03 4.15 0.03 -0.41 0.02 -1.26 -4.88 135.00 131.61 3lin s PRO 24 Ca 0.65 2.39 0.05 0.00 0.02 0.00 0.00 61.00 64.11 3lin s PRO 24 Cb -0.81 -2.96 -0.02 0.00 0.02 0.00 0.00 34.50 30.73 3lin s PRO 24 CO 0.57 -0.43 -0.15 0.15 -0.33 0.00 0.00 177.00 176.81 3lin s LYS 25 N -2.03 1.09 -0.17 5.54 -0.14 -0.60 -4.90 119.74 118.53 3lin s LYS 25 Ca 0.52 -0.72 -0.21 0.00 -1.36 0.00 0.00 55.97 54.20 3lin s LYS 25 Cb -0.43 -1.10 -0.03 0.00 -1.68 0.00 0.00 37.83 34.59 3lin s LYS 25 CO 0.58 0.28 0.63 0.99 -0.76 0.00 0.00 175.35 177.07 3lin s THR 26 N -0.69 5.03 0.30 2.17 2.01 -1.26 -0.43 115.64 122.76 3lin s THR 26 Ca 0.04 1.22 0.06 0.00 0.31 0.00 0.00 61.69 63.32 3lin s THR 26 Cb -0.07 -3.95 -0.06 0.00 0.01 0.00 0.00 72.50 68.42 3lin s THR 26 CO 0.01 0.14 -0.04 0.27 -0.69 0.00 0.00 174.62 174.31 3lin s ILE 27 N 1.66 1.65 -0.11 1.82 -4.36 -0.43 -4.91 121.20 116.51 3lin s ILE 27 Ca 0.30 -2.11 -0.20 0.00 -0.26 0.00 0.00 60.65 58.38 3lin s ILE 27 Cb -0.16 -2.54 -0.04 0.00 1.25 0.00 0.00 42.46 40.97 3lin s ILE 27 CO 0.11 -0.23 0.58 -0.70 0.24 0.00 0.00 174.94 174.94 3lin s GLU 28 N -3.74 4.35 -0.00 0.37 2.12 -1.26 -1.64 118.70 118.90 3lin s GLU 28 Ca 0.31 0.62 0.05 0.00 0.36 0.00 0.00 54.97 56.31 3lin s GLU 28 Cb 0.05 -3.46 -0.01 0.00 0.26 0.00 0.00 34.13 30.96 3lin s GLU 28 CO 0.13 0.07 -0.16 0.00 -0.54 0.00 0.00 175.26 174.75 3lin s ALA 29 N 0.88 1.37 0.08 6.30 0.00 0.80 -4.65 121.76 126.54 3lin s ALA 29 Ca 0.30 -0.75 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3lin s ALA 29 Cb -0.16 -0.32 -0.06 0.00 0.00 0.00 0.00 23.12 22.58 3lin s ALA 29 CO 0.13 0.32 1.13 -1.17 0.00 0.00 0.00 175.76 176.18 3lin s LEU 30 N -0.56 4.40 -0.47 0.00 2.96 -0.08 -0.70 118.68 124.23 3lin s LEU 30 Ca 0.06 1.97 -0.28 0.00 -0.22 0.00 0.00 54.13 55.66 3lin s LEU 30 Cb -0.07 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.07 3lin s LEU 30 CO -0.00 -0.36 1.08 -0.76 -1.32 0.00 0.00 176.35 174.98 3lin s LEU 31 N 0.67 3.74 -0.33 -0.68 1.43 0.07 0.27 118.68 123.84 3lin s LEU 31 Ca 0.55 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.04 3lin s LEU 31 Cb -0.28 -3.45 0.10 0.00 0.03 0.00 0.00 46.19 42.59 3lin s LEU 31 CO 0.30 -1.20 0.08 -0.62 0.23 0.00 0.00 176.35 175.15 3lin s ASP 32 N 2.40 4.38 0.30 2.29 -1.08 -0.09 -4.79 116.67 120.08 3lin s ASP 32 Ca 0.45 -1.94 0.26 0.00 -0.52 0.00 0.00 52.55 50.80 3lin s ASP 32 Cb -0.08 -1.25 0.99 0.00 -1.46 0.00 0.00 42.92 41.13 3lin s ASP 32 CO 0.30 -0.39 1.76 0.71 0.52 0.00 0.00 175.17 178.07 3lin h THR 33 N 6.50 0.00 -0.05 1.71 1.35 -1.94 -1.90 112.91 118.58 3lin h THR 33 Ca -0.09 -0.35 0.00 0.00 -0.55 0.00 0.00 66.41 65.43 3lin h THR 33 Cb 1.01 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 3lin h THR 33 CO 0.50 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.38 3lin n GLY 34 N 0.28 -0.01 3.63 5.82 0.00 -1.26 -4.80 105.19 108.84 3lin n GLY 34 Ca 0.03 -0.42 -0.37 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 -1.95 3.58 0.39 4.61 0.00 -0.71 -4.96 121.76 122.72 3lin s ALA 35 Ca 0.37 -0.93 0.09 0.00 0.00 0.00 0.00 51.96 51.48 3lin s ALA 35 Cb 0.20 -2.42 0.81 0.00 0.00 0.00 0.00 23.12 21.70 3lin s ALA 35 CO 0.32 -0.35 1.96 -0.44 0.00 0.00 0.00 175.76 177.24 3lin h ASP 36 N 7.85 0.31 -4.85 0.00 3.32 -1.88 -0.64 116.42 120.53 3lin h ASP 36 Ca -0.36 -0.04 -0.15 0.00 0.02 0.00 0.00 57.03 56.49 3lin h ASP 36 Cb 1.18 -0.08 -0.21 0.00 0.22 0.00 0.00 39.33 40.43 3lin h ASP 36 CO 0.62 0.38 -0.52 -0.32 -1.72 0.00 0.00 179.24 177.67 3lin s MET 37 N -4.96 0.43 0.41 3.56 1.75 -1.26 -3.68 119.30 115.54 3lin s MET 37 Ca -0.06 -0.36 -0.24 0.00 -1.25 0.00 0.00 55.69 53.78 3lin s MET 37 Cb 0.16 0.18 -0.09 0.00 2.84 0.00 0.00 34.83 37.92 3lin s MET 37 CO 0.73 -0.10 1.05 0.99 -0.65 0.00 0.00 175.02 177.05 3lin s THR 38 N -1.24 3.71 -0.12 10.11 2.01 -1.26 -4.31 115.64 124.55 3lin s THR 38 Ca -0.13 1.28 0.02 0.00 0.31 0.00 0.00 61.69 63.16 3lin s THR 38 Cb -0.07 -3.64 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3lin s THR 38 CO 0.01 -0.02 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.04 3lin s VAL 39 N -1.69 2.54 -0.06 3.82 1.01 0.30 -1.65 120.40 124.66 3lin s VAL 39 Ca 0.59 -0.84 0.04 0.00 0.00 0.00 0.00 61.98 61.77 3lin s VAL 39 Cb -0.21 -2.03 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 3lin s VAL 39 CO 0.27 0.54 -0.18 -0.63 0.00 0.00 0.00 175.10 175.10 3lin s ILE 40 N 0.43 2.70 0.49 2.22 -1.09 0.08 -0.68 121.20 125.35 3lin s ILE 40 Ca -0.13 -0.84 -0.22 0.00 -2.23 0.00 0.00 60.65 57.23 3lin s ILE 40 Cb -0.17 -2.05 -0.06 0.00 -1.58 0.00 0.00 42.46 38.60 3lin s ILE 40 CO 0.06 0.57 1.21 -2.84 -1.23 0.00 0.00 174.94 172.72 3lin s PRO 41 N -0.35 3.55 0.44 2.79 0.02 -1.06 0.08 135.00 140.47 3lin s PRO 41 Ca 0.03 1.89 0.16 0.00 0.02 0.00 0.00 61.00 63.09 3lin s PRO 41 Cb -0.12 -2.33 1.00 0.00 0.02 0.00 0.00 34.50 33.06 3lin s PRO 41 CO 0.02 -0.76 1.96 0.97 -0.33 0.00 0.00 177.00 178.87 3lin h ILE 42 N 1.69 1.08 -0.88 2.83 2.10 -1.64 -2.56 117.51 120.14 3lin h ILE 42 Ca -0.50 -0.77 0.26 0.00 1.08 0.00 0.00 64.86 64.93 3lin h ILE 42 Cb 1.26 1.42 -0.04 0.00 -1.09 0.00 0.00 36.82 38.38 3lin h ILE 42 CO 0.59 0.21 0.73 0.00 -1.08 0.00 0.00 178.15 178.60 3lin h ALA 43 N 1.78 2.76 0.00 0.18 0.00 -1.91 -0.34 119.26 121.72 3lin h ALA 43 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3lin h ALA 43 Cb 0.41 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3lin h ALA 43 CO 0.03 -1.18 0.00 1.28 0.00 0.00 0.00 179.25 179.38 3lin n LEU 44 N -3.96 0.00 -4.88 0.00 4.77 -0.96 -4.81 117.00 107.15 3lin n LEU 44 Ca 0.18 0.46 -0.31 0.00 -0.03 0.00 0.00 56.01 56.31 3lin n LEU 44 Cb 1.03 -0.46 -0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3lin n LEU 44 CO 0.35 -0.08 -0.18 -0.36 -1.33 0.00 0.00 177.39 175.79 3lin s PHE 45 N -2.91 3.44 0.54 -1.77 0.40 -0.14 -4.57 117.98 112.97 3lin s PHE 45 Ca 0.14 0.22 -0.21 0.00 -0.60 0.00 0.00 56.93 56.48 3lin s PHE 45 Cb 0.16 -1.73 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 3lin s PHE 45 CO 0.43 0.58 1.24 -1.54 0.70 0.00 0.00 175.22 176.63 3lin s SER 46 N -2.42 5.49 0.54 1.36 1.04 -1.26 -4.89 113.70 113.55 3lin s SER 46 Ca 0.33 2.48 0.27 0.00 0.48 0.00 0.00 55.95 59.51 3lin s SER 46 Cb -0.13 -2.61 1.43 0.00 0.10 0.00 0.00 66.02 64.81 3lin s SER 46 CO 0.26 -1.40 1.97 0.28 0.98 0.00 0.00 173.24 175.33 3lin h SER 47 N 1.38 0.00 0.95 7.02 0.02 -1.94 -2.62 113.55 118.37 3lin h SER 47 Ca -0.50 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.44 3lin h SER 47 Cb 1.28 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.82 3lin h SER 47 CO 0.57 0.00 -1.05 0.59 -1.14 0.00 0.00 176.83 175.80 3lin n ASN 48 N -4.31 0.83 -4.65 3.07 4.13 -1.26 -5.01 115.26 108.06 3lin n ASN 48 Ca 0.12 0.32 -0.45 0.00 1.68 0.00 0.00 54.58 56.25 3lin n ASN 48 Cb 0.69 0.48 -0.03 0.00 -1.54 0.00 0.00 39.78 39.38 3lin n ASN 48 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3lin n THR 49 N -2.68 1.07 -1.97 3.41 -2.24 -0.99 -4.91 114.28 105.97 3lin n THR 49 Ca -0.01 -0.27 -0.42 0.00 -2.27 0.00 0.00 64.05 61.09 3lin n THR 49 Cb 0.56 -1.36 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 3lin n THR 49 CO 0.00 0.00 0.00 -2.84 -0.57 0.00 0.00 175.07 171.66 3lin s PRO 50 N -0.56 4.22 0.08 -0.78 0.02 -1.26 -5.02 135.00 131.71 3lin s PRO 50 Ca 0.68 2.29 0.06 0.00 0.02 0.00 0.00 61.00 64.05 3lin s PRO 50 Cb -0.68 -3.37 -0.03 0.00 0.02 0.00 0.00 34.50 30.44 3lin s PRO 50 CO 0.51 -0.64 -0.17 -0.51 -0.33 0.00 0.00 177.00 175.87 3lin s LEU 51 N 1.82 2.29 -0.12 -5.54 1.43 -1.26 -4.13 118.68 113.17 3lin s LEU 51 Ca 0.71 -0.65 -0.13 0.00 -1.03 0.00 0.00 54.13 53.03 3lin s LEU 51 Cb -0.41 -0.65 -0.05 0.00 0.03 0.00 0.00 46.19 45.12 3lin s LEU 51 CO 0.31 -0.03 0.28 -0.54 0.23 0.00 0.00 176.35 176.60 3lin s LYS 52 N -1.85 4.04 0.35 1.70 1.02 0.90 -4.86 119.74 121.03 3lin s LYS 52 Ca 0.02 0.10 -0.28 0.00 0.02 0.00 0.00 55.97 55.82 3lin s LYS 52 Cb -0.10 -3.34 -0.12 0.00 -0.52 0.00 0.00 37.83 33.75 3lin s LYS 52 CO 0.03 0.43 1.41 0.09 -0.92 0.00 0.00 175.35 176.39 3lin n ASN 53 N 2.94 3.34 -3.73 2.83 3.02 -1.26 0.03 115.26 122.43 3lin n ASN 53 Ca -0.14 1.21 -0.11 0.00 -0.03 0.00 0.00 54.58 55.51 3lin n ASN 53 Cb 0.53 -1.55 -0.06 0.00 -0.61 0.00 0.00 39.78 38.08 3lin n ASN 53 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3lin s THR 54 N -0.97 0.09 -0.12 3.41 -1.32 -1.25 -4.75 115.64 110.73 3lin s THR 54 Ca 0.56 -0.72 -0.03 0.00 -1.21 0.00 0.00 61.69 60.29 3lin s THR 54 Cb -0.52 -1.08 -0.03 0.00 -1.51 0.00 0.00 72.50 69.35 3lin s THR 54 CO 0.61 -0.40 -0.02 -0.55 -2.21 0.00 0.00 174.62 172.05 3lin s SER 55 N -2.42 4.99 -0.01 8.08 0.15 -1.26 -4.49 113.70 118.73 3lin s SER 55 Ca -0.01 0.00 0.07 0.00 0.70 0.00 0.00 55.95 56.72 3lin s SER 55 Cb 0.01 -1.58 -0.02 0.00 -1.71 0.00 0.00 66.02 62.73 3lin s SER 55 CO -0.07 0.28 -0.22 -0.69 1.20 0.00 0.00 173.24 173.73 3lin s VAL 56 N -0.29 1.77 -0.30 4.45 1.01 0.80 -4.96 120.40 122.88 3lin s VAL 56 Ca 0.05 -0.98 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 3lin s VAL 56 Cb -0.12 -1.47 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 3lin s VAL 56 CO 0.02 0.48 0.23 -0.76 0.00 0.00 0.00 175.10 175.08 3lin s LEU 57 N -0.57 4.21 0.37 3.92 1.02 -1.26 0.02 118.68 126.38 3lin s LEU 57 Ca 0.09 -0.13 0.07 0.00 0.02 0.00 0.00 54.13 54.17 3lin s LEU 57 Cb -0.09 -2.17 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 3lin s LEU 57 CO -0.01 -0.14 0.24 -0.83 0.02 0.00 0.00 176.35 175.63 3lin s GLY 58 N 1.74 2.53 0.28 -3.19 0.00 -0.81 -5.01 107.32 102.85 3lin s GLY 58 Ca 0.08 -1.76 0.02 0.00 0.00 0.00 0.00 44.72 43.06 3lin s GLY 58 CO 0.11 -1.60 1.79 0.00 0.00 0.00 0.00 173.10 173.39 3lin h ALA 59 N 1.96 1.46 0.00 3.20 0.00 -2.02 0.56 119.26 124.42 3lin h ALA 59 Ca -0.27 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.70 3lin h ALA 59 Cb 1.25 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3lin h ALA 59 CO 0.41 0.02 0.00 0.41 0.00 0.00 0.00 179.25 180.10 3lin n GLY 60 N -1.33 -0.83 0.32 0.00 0.00 -1.26 -5.01 105.19 97.07 3lin n GLY 60 Ca 0.19 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.44 -1.86 3.78 -0.02 0.00 0.19 -5.00 105.19 102.72 3lin n GLY 61 Ca 0.07 -1.97 -0.39 0.00 0.00 0.00 0.00 46.02 43.73 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 4.51 -0.01 1.61 2.00 -1.26 -1.93 119.66 124.58 3lin s GLN 62 Ca 0.00 1.12 0.02 0.00 -2.00 0.00 0.00 55.36 54.49 3lin s GLN 62 Cb 0.00 -3.18 -0.00 0.00 0.80 0.00 0.00 33.01 30.63 3lin s GLN 62 CO 0.00 0.53 -0.06 -0.08 -0.50 0.00 0.00 175.29 175.18 3lin s THR 63 N -1.23 0.47 -0.46 -0.34 -1.32 0.10 -4.97 115.64 107.90 3lin s THR 63 Ca 0.37 -0.24 0.13 0.00 -1.21 0.00 0.00 61.69 60.74 3lin s THR 63 Cb -0.22 -0.41 -0.15 0.00 -1.51 0.00 0.00 72.50 70.21 3lin s THR 63 CO 0.25 0.14 0.48 0.00 -2.21 0.00 0.00 174.62 173.28 3lin n GLN 64 N 3.03 2.21 -0.00 7.08 3.00 -1.26 -0.14 117.38 131.30 3lin n GLN 64 Ca -0.14 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.82 3lin n GLN 64 Cb 0.57 -1.15 -0.01 0.00 0.00 0.00 0.00 30.24 29.65 3lin n GLN 64 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.06 176.81 3lin n ASP 65 N -1.46 4.60 -0.09 1.08 8.00 -1.26 -4.50 116.55 122.91 3lin n ASP 65 Ca 0.01 0.00 -0.09 0.00 0.71 0.00 0.00 54.79 55.43 3lin n ASP 65 Cb 0.23 0.83 0.07 0.00 -0.02 0.00 0.00 41.12 42.23 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 0.92 -4.11 1.24 3.86 -1.90 -3.45 115.15 111.71 3lin h HIS 66 Ca -0.02 -0.22 -0.69 0.00 -1.16 0.00 0.00 60.37 58.28 3lin h HIS 66 Cb 0.56 -0.21 -0.24 0.00 1.06 0.00 0.00 27.41 28.58 3lin h HIS 66 CO 0.00 0.97 -0.84 -0.06 0.86 0.00 0.00 177.93 178.86 3lin s PHE 67 N -4.56 2.45 0.29 2.45 0.08 -1.26 -1.20 117.98 116.23 3lin s PHE 67 Ca -0.10 -0.33 0.11 0.00 0.12 0.00 0.00 56.93 56.73 3lin s PHE 67 Cb 0.13 -1.43 -0.05 0.00 -0.57 0.00 0.00 43.02 41.10 3lin s PHE 67 CO 0.84 0.20 -0.16 0.15 -0.10 0.00 0.00 175.22 176.16 3lin s LYS 68 N -1.37 1.67 -0.11 0.44 -0.14 -0.61 -3.91 119.74 115.70 3lin s LYS 68 Ca 0.13 -1.79 -0.05 0.00 -1.36 0.00 0.00 55.97 52.90 3lin s LYS 68 Cb -0.10 -1.64 -0.04 0.00 -1.68 0.00 0.00 37.83 34.37 3lin s LYS 68 CO 0.04 0.25 0.09 -1.17 -0.76 0.00 0.00 175.35 173.80 3lin s LEU 69 N -3.51 4.10 0.95 3.17 2.96 0.10 0.20 118.68 126.66 3lin s LEU 69 Ca 0.30 0.35 -0.11 0.00 -0.22 0.00 0.00 54.13 54.45 3lin s LEU 69 Cb -0.02 -1.98 0.17 0.00 0.50 0.00 0.00 46.19 44.85 3lin s LEU 69 CO 0.14 0.39 1.12 0.42 -1.32 0.00 0.00 176.35 177.11 3lin s THR 70 N -0.95 2.14 -0.12 3.68 -4.23 -0.63 -0.07 115.64 115.46 3lin s THR 70 Ca 0.14 0.05 0.17 0.00 -1.18 0.00 0.00 61.69 60.87 3lin s THR 70 Cb -0.12 -2.11 -0.25 0.00 1.34 0.00 0.00 72.50 71.37 3lin s THR 70 CO 0.03 -0.06 0.19 -1.20 -0.54 0.00 0.00 174.62 173.05 3lin n SER 71 N -4.32 0.64 -4.58 3.99 7.64 -1.26 -4.61 113.62 111.13 3lin n SER 71 Ca 0.10 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.71 3lin n SER 71 Cb 0.53 1.28 -0.09 0.00 -1.01 0.00 0.00 64.21 64.92 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 -4.94 3.02 0.73 -3.43 1.43 -1.26 -5.06 118.68 109.17 3lin s LEU 72 Ca -0.08 -0.55 -0.16 0.00 -1.03 0.00 0.00 54.13 52.31 3lin s LEU 72 Cb 0.08 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.61 3lin s LEU 72 CO 0.75 0.10 0.96 -2.65 0.23 0.00 0.00 176.35 175.74 3lin n PRO 73 N 0.04 0.46 -4.84 1.29 -0.02 -1.24 -4.74 135.00 125.95 3lin n PRO 73 Ca -0.11 0.21 -0.33 0.00 -2.02 0.00 0.00 63.50 61.26 3lin n PRO 73 Cb 0.55 -2.22 -0.14 0.00 -0.02 0.00 0.00 33.50 31.68 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 -1.85 3.01 -0.12 -1.45 1.01 -0.07 -4.56 120.40 116.36 3lin s VAL 74 Ca 0.73 -0.70 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3lin s VAL 74 Cb -0.34 -2.23 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 3lin s VAL 74 CO 0.51 0.55 0.10 -0.76 0.00 0.00 0.00 175.10 175.50 3lin s LEU 75 N -0.00 4.13 -0.05 3.92 1.02 -0.37 -1.02 118.68 126.31 3lin s LEU 75 Ca -0.04 0.34 -0.01 0.00 0.02 0.00 0.00 54.13 54.45 3lin s LEU 75 Cb -0.14 -2.00 0.03 0.00 0.02 0.00 0.00 46.19 44.10 3lin s LEU 75 CO 0.04 0.37 0.01 -0.63 0.02 0.00 0.00 176.35 176.16 3lin s ILE 76 N -0.79 0.23 -0.16 -0.59 1.01 -0.58 0.65 121.20 120.97 3lin s ILE 76 Ca 0.13 0.14 -0.03 0.00 0.00 0.00 0.00 60.65 60.89 3lin s ILE 76 Cb -0.12 -0.37 -0.02 0.00 0.01 0.00 0.00 42.46 41.96 3lin s ILE 76 CO 0.03 0.20 -0.05 -0.13 0.00 0.00 0.00 174.94 174.99 3lin s ARG 77 N 1.58 3.59 0.37 2.79 0.52 0.21 -0.18 118.95 127.82 3lin s ARG 77 Ca -0.02 -0.56 0.03 0.00 -0.52 0.00 0.00 55.73 54.67 3lin s ARG 77 Cb -0.13 -2.89 -0.01 0.00 0.52 0.00 0.00 34.95 32.44 3lin s ARG 77 CO -0.03 0.18 0.54 -0.51 0.02 0.00 0.00 175.30 175.50 3lin s LEU 78 N 0.50 3.89 0.24 2.53 1.43 -1.26 -0.34 118.68 125.67 3lin s LEU 78 Ca -0.04 0.08 -0.07 0.00 -1.03 0.00 0.00 54.13 53.07 3lin s LEU 78 Cb -0.15 -2.97 0.26 0.00 0.03 0.00 0.00 46.19 43.36 3lin s LEU 78 CO 0.03 -0.48 1.90 -0.65 0.23 0.00 0.00 176.35 177.38 3lin h PRO 79 N 0.72 1.18 -0.59 1.29 0.11 -1.99 -2.95 132.00 129.77 3lin h PRO 79 Ca -0.47 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.57 3lin h PRO 79 Cb 1.25 -0.27 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3lin h PRO 79 CO 0.56 0.78 0.00 1.97 -0.21 0.00 0.00 178.00 181.10 3lin n PHE 80 N -4.47 0.89 -4.34 0.65 -1.74 -1.26 -4.88 117.46 102.32 3lin n PHE 80 Ca 0.11 -0.41 -0.20 0.00 -0.56 0.00 0.00 57.45 56.39 3lin n PHE 80 Cb 0.05 -0.07 -0.16 0.00 1.52 0.00 0.00 39.48 40.82 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 -1.41 0.98 -0.11 3.97 1.81 -1.12 -5.04 118.95 118.03 3lin s ARG 81 Ca 0.39 -0.25 -0.12 0.00 -1.72 0.00 0.00 55.73 54.03 3lin s ARG 81 Cb 0.22 -0.91 -0.27 0.00 -0.45 0.00 0.00 34.95 33.54 3lin s ARG 81 CO 0.24 0.04 0.47 1.79 -0.68 0.00 0.00 175.30 177.17 3lin h THR 82 N 5.67 0.84 -3.49 0.02 1.35 -1.90 -3.38 112.91 112.03 3lin h THR 82 Ca -0.34 -2.38 -0.52 0.00 -0.55 0.00 0.00 66.41 62.62 3lin h THR 82 Cb 1.17 2.60 0.03 0.00 -1.73 0.00 0.00 68.15 70.21 3lin h THR 82 CO 0.48 0.77 0.60 -0.89 -0.25 0.00 0.00 175.52 176.24 3lin s THR 83 N -2.52 3.33 0.38 6.82 2.01 -1.26 -5.02 115.64 119.38 3lin s THR 83 Ca -0.21 1.13 -0.24 0.00 0.31 0.00 0.00 61.69 62.68 3lin s THR 83 Cb 0.06 -3.72 -0.10 0.00 0.01 0.00 0.00 72.50 68.75 3lin s THR 83 CO 0.77 0.19 0.98 -2.16 -0.69 0.00 0.00 174.62 173.71 3lin s PRO 84 N -0.38 4.32 0.21 4.92 0.04 -1.26 -4.75 135.00 138.11 3lin s PRO 84 Ca 0.54 1.32 -0.30 0.00 0.04 0.00 0.00 61.00 62.60 3lin s PRO 84 Cb -0.35 -2.51 -0.09 0.00 0.04 0.00 0.00 34.50 31.59 3lin s PRO 84 CO 0.39 0.04 1.29 0.42 0.04 0.00 0.00 177.00 179.17 3lin s ILE 85 N -1.81 3.24 -0.23 0.56 1.01 0.74 -4.88 121.20 119.84 3lin s ILE 85 Ca 0.57 1.04 -0.02 0.00 0.00 0.00 0.00 60.65 62.24 3lin s ILE 85 Cb -0.17 -3.67 0.02 0.00 0.01 0.00 0.00 42.46 38.66 3lin s ILE 85 CO 0.21 0.17 -0.08 -0.69 0.00 0.00 0.00 174.94 174.55 3lin s VAL 86 N -0.03 2.83 -0.28 2.92 1.01 -1.26 -1.52 120.40 124.06 3lin s VAL 86 Ca 0.55 -0.92 -0.07 0.00 0.00 0.00 0.00 61.98 61.53 3lin s VAL 86 Cb -0.36 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.64 3lin s VAL 86 CO 0.39 0.29 0.08 -0.76 0.00 0.00 0.00 175.10 175.10 3lin s LEU 87 N 1.34 3.76 0.32 3.92 1.43 -0.19 -4.97 118.68 124.28 3lin s LEU 87 Ca 0.02 -0.55 0.02 0.00 -1.03 0.00 0.00 54.13 52.59 3lin s LEU 87 Cb -0.16 -1.90 0.60 0.00 0.03 0.00 0.00 46.19 44.76 3lin s LEU 87 CO -0.06 -0.15 1.92 0.74 0.23 0.00 0.00 176.35 179.03 3lin h THR 88 N 5.75 1.03 -2.59 5.49 2.02 -1.93 -0.16 112.91 122.52 3lin h THR 88 Ca -0.34 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.43 3lin h THR 88 Cb 1.14 0.01 -0.20 0.00 -1.74 0.00 0.00 68.15 67.36 3lin h THR 88 CO 0.60 0.17 -0.08 -0.55 0.37 0.00 0.00 175.52 176.03 3lin s SER 89 N -6.03 -0.40 0.34 4.18 0.15 -1.26 -3.70 113.70 106.98 3lin s SER 89 Ca -0.11 0.41 -0.10 0.00 0.70 0.00 0.00 55.95 56.85 3lin s SER 89 Cb 0.20 0.46 0.02 0.00 -1.71 0.00 0.00 66.02 64.99 3lin s SER 89 CO 0.79 -0.49 0.61 0.00 1.20 0.00 0.00 173.24 175.35 3lin s LEU 91 N -3.12 3.97 -0.13 0.00 1.43 -0.66 -1.61 118.68 118.57 3lin s LEU 91 Ca 0.23 1.13 0.01 0.00 -1.03 0.00 0.00 54.13 54.47 3lin s LEU 91 Cb -0.03 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.25 3lin s LEU 91 CO 0.15 -0.27 -0.16 -0.69 0.23 0.00 0.00 176.35 175.60 3lin s VAL 92 N -2.14 1.62 -0.51 -1.59 1.01 0.13 -0.74 120.40 118.18 3lin s VAL 92 Ca 0.51 -0.70 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 3lin s VAL 92 Cb -0.10 -1.48 0.03 0.00 0.00 0.00 0.00 36.38 34.83 3lin s VAL 92 CO 0.25 0.47 0.95 -0.62 0.00 0.00 0.00 175.10 176.14 3lin s ASP 93 N 1.11 6.42 0.00 3.32 2.15 0.11 -1.58 116.67 128.21 3lin s ASP 93 Ca -0.03 -0.11 0.10 0.00 0.43 0.00 0.00 52.55 52.95 3lin s ASP 93 Cb -0.14 -2.45 0.47 0.00 -0.30 0.00 0.00 42.92 40.50 3lin s ASP 93 CO -0.05 -1.16 1.32 0.35 -0.17 0.00 0.00 175.17 175.47 3lin n THR 94 N 6.33 0.13 0.00 1.71 -2.24 -0.34 -1.62 114.28 118.26 3lin n THR 94 Ca 0.04 -0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3lin n THR 94 Cb 0.48 0.03 0.00 0.00 -2.10 0.00 0.00 70.33 68.74 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 -0.24 0.00 -0.19 -0.78 5.02 -1.26 -4.94 118.16 115.77 3lin n LYS 95 Ca 0.09 0.00 0.08 0.00 -2.02 0.00 0.00 58.31 56.46 3lin n LYS 95 Cb 0.13 -0.01 0.24 0.00 -0.02 0.00 0.00 35.03 35.37 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3lin n ASN 96 N -2.54 2.30 -3.62 4.39 3.02 -1.26 -4.93 115.26 112.62 3lin n ASN 96 Ca 0.00 -1.93 -0.27 0.00 -0.03 0.00 0.00 54.58 52.35 3lin n ASN 96 Cb 0.00 -0.25 0.01 0.00 -0.61 0.00 0.00 39.78 38.93 3lin n ASN 96 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 3lin n ASN 97 N 0.75 -4.30 -4.77 6.41 2.85 -1.26 -4.95 115.26 109.99 3lin n ASN 97 Ca 0.16 -0.59 -0.40 0.00 -0.11 0.00 0.00 54.58 53.64 3lin n ASN 97 Cb 0.38 -3.49 0.01 0.00 1.24 0.00 0.00 39.78 37.92 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 -3.12 2.56 -0.23 1.20 0.52 -1.26 -4.82 118.94 113.79 3lin s TRP 98 Ca 0.53 1.25 0.01 0.00 0.02 0.00 0.00 56.10 57.90 3lin s TRP 98 Cb -0.27 -3.92 0.06 0.00 -1.15 0.00 0.00 33.47 28.19 3lin s TRP 98 CO 0.65 -2.83 -0.05 0.00 0.02 0.00 0.00 176.95 174.74 3lin s ALA 99 N -1.18 1.92 -0.09 0.98 0.00 -1.26 -2.57 121.76 119.55 3lin s ALA 99 Ca 0.57 -1.34 0.01 0.00 0.00 0.00 0.00 51.96 51.20 3lin s ALA 99 Cb -0.44 -1.43 0.02 0.00 0.00 0.00 0.00 23.12 21.27 3lin s ALA 99 CO 0.58 -1.20 -0.09 0.42 0.00 0.00 0.00 175.76 175.46 3lin s ILE 100 N 1.42 1.04 -0.44 0.00 1.01 0.15 -0.90 121.20 123.47 3lin s ILE 100 Ca -0.05 -0.35 -0.22 0.00 0.00 0.00 0.00 60.65 60.03 3lin s ILE 100 Cb -0.19 -1.02 0.02 0.00 0.01 0.00 0.00 42.46 41.29 3lin s ILE 100 CO -0.07 0.36 0.71 -0.63 0.00 0.00 0.00 174.94 175.31 3lin s ILE 101 N 1.29 4.75 0.19 2.92 -1.09 0.14 -0.54 121.20 128.86 3lin s ILE 101 Ca -0.03 0.27 0.01 0.00 -2.23 0.00 0.00 60.65 58.68 3lin s ILE 101 Cb -0.14 -4.26 0.04 0.00 -1.58 0.00 0.00 42.46 36.52 3lin s ILE 101 CO -0.04 -0.64 0.26 0.61 -1.23 0.00 0.00 174.94 173.90 3lin n GLY 102 N 5.00 1.26 0.20 6.18 0.00 -1.26 -0.91 105.19 115.66 3lin n GLY 102 Ca 0.00 -2.06 0.05 0.00 0.00 0.00 0.00 46.02 44.02 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 -0.11 1.61 3.08 -1.26 -2.07 114.38 115.63 3lin h ARG 103 Ca -0.09 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.00 3lin h ARG 103 Cb 0.35 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.36 3lin h ARG 103 CO 0.11 0.34 -0.18 0.38 -1.07 0.00 0.00 179.97 179.55 3lin h ASP 104 N 0.00 -0.54 -0.24 7.04 2.03 -1.81 0.90 116.42 123.80 3lin h ASP 104 Ca -0.00 0.09 -0.15 0.00 -0.73 0.00 0.00 57.03 56.24 3lin h ASP 104 Cb 0.70 0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 39.44 3lin h ASP 104 CO 0.04 -0.23 -0.38 0.00 -1.03 0.00 0.00 179.24 177.65 3lin h ALA 105 N 0.78 0.71 -0.19 4.15 0.00 -1.83 -3.14 119.26 119.74 3lin h ALA 105 Ca 0.09 -0.44 -0.08 0.00 0.00 0.00 0.00 54.91 54.47 3lin h ALA 105 Cb 0.36 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3lin h ALA 105 CO -0.25 0.66 -0.25 -0.07 0.00 0.00 0.00 179.25 179.35 3lin h LEU 106 N 0.64 0.35 -0.32 0.00 3.38 -1.06 -0.90 115.31 117.41 3lin h LEU 106 Ca 0.06 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 3lin h LEU 106 Cb 0.93 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3lin h LEU 106 CO 0.09 0.61 0.08 -0.61 0.09 0.00 0.00 178.44 178.69 3lin h GLN 107 N 0.32 0.51 0.00 1.13 4.15 -0.85 0.71 115.11 121.08 3lin h GLN 107 Ca 0.05 -0.12 -0.05 0.00 0.77 0.00 0.00 58.65 59.29 3lin h GLN 107 Cb 0.61 -0.07 -0.01 0.00 0.21 0.00 0.00 27.48 28.23 3lin h GLN 107 CO 0.04 0.58 -0.26 1.96 -1.93 0.00 0.00 178.83 179.22 3lin h GLN 108 N 0.36 0.00 0.00 1.69 4.20 -1.40 -0.64 115.11 119.31 3lin h GLN 108 Ca 0.10 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3lin h GLN 108 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 3lin h GLN 108 CO 0.00 0.26 0.00 0.00 -0.67 0.00 0.00 178.83 178.42 3lin n GLN 110 N -2.46 -5.44 -2.11 0.00 6.02 -0.25 -4.97 117.38 108.17 3lin n GLN 110 Ca 0.02 0.73 -0.41 0.00 -0.01 0.00 0.00 57.00 57.33 3lin n GLN 110 Cb 0.26 -5.61 -0.02 0.00 1.02 0.00 0.00 30.24 25.88 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 -2.99 2.80 0.09 1.08 0.00 0.24 -5.01 107.32 103.52 3lin s GLY 111 Ca 0.48 1.26 0.04 0.00 0.00 0.00 0.00 44.72 46.50 3lin s GLY 111 CO 0.59 2.01 -0.11 -1.34 0.00 0.00 0.00 173.10 174.25 3lin s VAL 112 N -0.76 1.00 -0.02 1.40 -7.23 -1.26 -4.74 120.40 108.80 3lin s VAL 112 Ca 0.52 -1.53 -0.18 0.00 -1.81 0.00 0.00 61.98 58.98 3lin s VAL 112 Cb -0.40 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 3lin s VAL 112 CO 0.49 -0.45 0.51 -0.76 -0.31 0.00 0.00 175.10 174.58 3lin s LEU 113 N -2.22 4.42 -0.14 1.32 1.43 -1.26 -5.10 118.68 117.13 3lin s LEU 113 Ca 0.03 1.03 0.00 0.00 -1.03 0.00 0.00 54.13 54.16 3lin s LEU 113 Cb -0.05 -2.76 0.02 0.00 0.03 0.00 0.00 46.19 43.43 3lin s LEU 113 CO 0.01 0.17 -0.12 -0.47 0.23 0.00 0.00 176.35 176.16 3lin s TYR 114 N -0.39 1.99 -0.27 0.29 5.04 -1.26 -5.10 117.35 117.65 3lin s TYR 114 Ca 0.27 -1.09 -0.03 0.00 -2.44 0.00 0.00 57.07 53.78 3lin s TYR 114 Cb -0.17 -1.50 0.03 0.00 0.35 0.00 0.00 41.96 40.66 3lin s TYR 114 CO 0.15 -0.63 -0.01 -0.51 -1.34 0.00 0.00 175.55 173.21 3lin s LEU 115 N 1.54 3.49 0.00 6.97 1.43 -1.26 -5.14 118.68 125.71 3lin s LEU 115 Ca 0.05 -0.90 0.06 0.00 -1.03 0.00 0.00 54.13 52.31 3lin s LEU 115 Cb -0.13 -1.73 0.36 0.00 0.03 0.00 0.00 46.19 44.72 3lin s LEU 115 CO -0.10 -0.17 0.83 -0.81 0.23 0.00 0.00 176.35 176.33