#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 -0.28 0.52 1.01 -1.26 -5.06 120.40 120.20 3lin s VAL 2 Ca 0.00 1.73 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 3lin s VAL 2 Cb 0.00 -4.18 0.01 0.00 0.00 0.00 0.00 36.38 32.21 3lin s VAL 2 CO 0.00 0.05 0.05 -0.63 0.00 0.00 0.00 175.10 174.57 3lin s ILE 3 N 1.93 3.81 0.58 2.22 1.01 -1.26 -5.11 121.20 124.39 3lin s ILE 3 Ca 0.41 -0.69 -0.15 0.00 0.00 0.00 0.00 60.65 60.22 3lin s ILE 3 Cb -0.17 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.31 3lin s ILE 3 CO 0.15 0.13 1.02 -2.16 0.00 0.00 0.00 174.94 174.08 3lin s PRO 4 N 1.48 3.57 -0.11 2.79 0.04 -1.26 -5.05 135.00 136.46 3lin s PRO 4 Ca 0.03 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.10 3lin s PRO 4 Cb -0.17 -2.08 -0.00 0.00 0.04 0.00 0.00 34.50 32.29 3lin s PRO 4 CO 0.01 -0.59 -0.22 -0.51 0.04 0.00 0.00 177.00 175.74 3lin s LEU 5 N -4.54 2.23 -0.11 -3.56 1.43 -1.26 -4.92 118.68 107.94 3lin s LEU 5 Ca 0.60 -0.51 -0.05 0.00 -1.03 0.00 0.00 54.13 53.13 3lin s LEU 5 Cb -0.13 -1.46 0.05 0.00 0.03 0.00 0.00 46.19 44.69 3lin s LEU 5 CO 0.39 0.16 0.25 -0.62 0.23 0.00 0.00 176.35 176.76 3lin s ASP 6 N 0.37 -0.17 0.58 2.29 2.15 -1.26 -5.04 116.67 115.59 3lin s ASP 6 Ca -0.17 0.53 0.30 0.00 0.43 0.00 0.00 52.55 53.65 3lin s ASP 6 Cb -0.17 0.45 1.75 0.00 -0.30 0.00 0.00 42.92 44.65 3lin s ASP 6 CO 0.08 -0.18 2.21 1.55 -0.17 0.00 0.00 175.17 178.66 3lin h PRO 7 N 7.36 0.00 0.00 4.34 0.13 -2.02 -2.72 132.00 139.09 3lin h PRO 7 Ca -0.37 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3lin h PRO 7 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3lin h PRO 7 CO 0.34 0.03 -0.44 0.00 -0.23 0.00 0.00 178.00 177.70 3lin h ALA 8 N 1.97 0.75 -3.33 -0.56 0.00 -2.03 -3.43 119.26 112.63 3lin h ALA 8 Ca -0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 3lin h ALA 8 Cb 0.09 0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.51 3lin h ALA 8 CO 0.00 0.00 -0.81 1.03 0.00 0.00 0.00 179.25 179.47 3lin s ARG 9 N -3.22 1.90 0.22 0.00 0.52 -1.03 -5.11 118.95 112.23 3lin s ARG 9 Ca 0.05 -0.67 -0.30 0.00 -0.52 0.00 0.00 55.73 54.29 3lin s ARG 9 Cb 0.10 -2.21 -0.10 0.00 0.52 0.00 0.00 34.95 33.26 3lin s ARG 9 CO 0.70 -0.38 1.48 1.03 0.02 0.00 0.00 175.30 178.15 3lin s ARG 10 N 1.49 4.25 -0.57 3.54 0.52 -1.26 -4.39 118.95 122.53 3lin s ARG 10 Ca 0.01 2.32 -0.28 0.00 -0.52 0.00 0.00 55.73 57.26 3lin s ARG 10 Cb -0.15 -3.13 0.02 0.00 0.52 0.00 0.00 34.95 32.21 3lin s ARG 10 CO -0.09 -0.48 1.35 -1.25 0.02 0.00 0.00 175.30 174.86 3lin s PRO 11 N 0.11 3.35 0.22 3.54 0.04 -1.26 -4.99 135.00 136.01 3lin s PRO 11 Ca 0.63 0.37 0.10 0.00 0.04 0.00 0.00 61.00 62.14 3lin s PRO 11 Cb -0.42 -4.10 -0.04 0.00 0.04 0.00 0.00 34.50 29.97 3lin s PRO 11 CO 0.39 -1.88 -0.10 0.14 0.04 0.00 0.00 177.00 175.59 3lin s VAL 12 N 5.76 3.06 -0.02 -0.36 -7.23 -1.26 -1.06 120.40 119.29 3lin s VAL 12 Ca 0.49 -1.90 -0.04 0.00 -1.81 0.00 0.00 61.98 58.73 3lin s VAL 12 Cb -0.10 -2.56 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3lin s VAL 12 CO 0.25 -0.24 0.09 -0.51 -0.31 0.00 0.00 175.10 174.38 3lin s ILE 13 N -2.01 0.03 0.02 -0.62 2.07 0.07 -4.92 121.20 115.84 3lin s ILE 13 Ca 0.27 -0.26 -0.30 0.00 -1.41 0.00 0.00 60.65 58.95 3lin s ILE 13 Cb -0.07 -0.21 -0.04 0.00 0.13 0.00 0.00 42.46 42.27 3lin s ILE 13 CO 0.16 -0.14 0.99 -0.54 -1.91 0.00 0.00 174.94 173.50 3lin s LYS 14 N -0.44 4.57 0.00 3.50 -0.14 -1.26 -0.21 119.74 125.77 3lin s LYS 14 Ca -0.05 1.45 0.03 0.00 -1.36 0.00 0.00 55.97 56.03 3lin s LYS 14 Cb -0.03 -3.44 -0.01 0.00 -1.68 0.00 0.00 37.83 32.67 3lin s LYS 14 CO 0.00 -0.02 -0.09 0.00 -0.76 0.00 0.00 175.35 174.48 3lin s ALA 15 N 0.86 0.73 -0.37 5.17 0.00 -0.14 -4.26 121.76 123.76 3lin s ALA 15 Ca 0.52 -0.46 -0.21 0.00 0.00 0.00 0.00 51.96 51.81 3lin s ALA 15 Cb -0.22 -0.15 0.01 0.00 0.00 0.00 0.00 23.12 22.76 3lin s ALA 15 CO 0.28 0.15 0.67 -1.14 0.00 0.00 0.00 175.76 175.72 3lin s GLN 16 N -0.46 3.65 -0.19 0.00 0.74 -0.36 -0.94 119.66 122.10 3lin s GLN 16 Ca 0.02 0.06 -0.05 0.00 0.05 0.00 0.00 55.36 55.43 3lin s GLN 16 Cb -0.04 -3.82 -0.03 0.00 1.10 0.00 0.00 33.01 30.22 3lin s GLN 16 CO -0.00 -0.79 -0.01 0.08 -0.55 0.00 0.00 175.29 174.02 3lin s VAL 17 N 2.80 3.94 -0.28 1.34 1.01 0.08 -0.31 120.40 128.98 3lin s VAL 17 Ca 0.26 -0.32 -0.00 0.00 0.00 0.00 0.00 61.98 61.91 3lin s VAL 17 Cb -0.14 -2.77 0.05 0.00 0.00 0.00 0.00 36.38 33.53 3lin s VAL 17 CO 0.16 0.45 -0.04 -0.62 0.00 0.00 0.00 175.10 175.04 3lin s ASP 18 N 0.80 4.70 0.00 3.32 2.15 0.63 -1.52 116.67 126.74 3lin s ASP 18 Ca 0.00 -1.30 0.30 0.00 0.43 0.00 0.00 52.55 51.98 3lin s ASP 18 Cb -0.14 -1.65 1.44 0.00 -0.30 0.00 0.00 42.92 42.27 3lin s ASP 18 CO 0.02 -0.23 2.01 0.35 -0.17 0.00 0.00 175.17 177.15 3lin n THR 19 N 4.56 0.00 -1.05 1.71 -2.24 -1.26 -1.18 114.28 114.81 3lin n THR 19 Ca -0.14 -0.01 -0.02 0.00 -2.27 0.00 0.00 64.05 61.62 3lin n THR 19 Cb 0.43 -0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.23 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 -1.62 0.00 -0.78 6.02 -1.26 -4.76 117.38 113.72 3lin n GLN 20 Ca 0.14 0.49 0.04 0.00 -0.01 0.00 0.00 57.00 57.66 3lin n GLN 20 Cb 0.25 -4.74 -0.01 0.00 1.02 0.00 0.00 30.24 26.76 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 -2.20 0.00 -3.68 5.09 -2.24 -1.26 -5.05 114.28 104.94 3lin n THR 21 Ca -0.02 -0.38 -0.06 0.00 -2.27 0.00 0.00 64.05 61.33 3lin n THR 21 Cb 0.43 1.07 -0.02 0.00 -2.10 0.00 0.00 70.33 69.72 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 -1.39 -0.26 0.87 3.42 1.04 -1.26 -4.60 113.70 111.53 3lin s SER 22 Ca 0.06 -0.30 -0.10 0.00 0.48 0.00 0.00 55.95 56.08 3lin s SER 22 Cb 0.07 0.50 0.12 0.00 0.10 0.00 0.00 66.02 66.80 3lin s SER 22 CO 0.25 -0.89 1.12 -1.38 0.98 0.00 0.00 173.24 173.33 3lin s HIS 23 N -3.35 1.95 0.66 5.02 0.00 -1.26 -4.44 115.29 113.87 3lin s HIS 23 Ca 0.10 1.69 -0.18 0.00 -3.00 0.00 0.00 55.06 53.67 3lin s HIS 23 Cb -0.02 -3.23 -0.00 0.00 -4.00 0.00 0.00 32.58 25.32 3lin s HIS 23 CO -0.01 -2.48 1.28 -2.14 -1.00 0.00 0.00 174.74 170.39 3lin s PRO 24 N -4.74 2.49 0.00 -0.38 0.02 -1.26 -4.79 135.00 126.34 3lin s PRO 24 Ca 0.65 2.02 -0.01 0.00 0.02 0.00 0.00 61.00 63.68 3lin s PRO 24 Cb -0.21 -1.84 -0.01 0.00 0.02 0.00 0.00 34.50 32.46 3lin s PRO 24 CO 0.57 -1.63 0.02 0.15 -0.33 0.00 0.00 177.00 175.78 3lin s LYS 25 N -3.45 0.19 -0.07 5.54 1.02 -0.58 -4.93 119.74 117.46 3lin s LYS 25 Ca 0.81 -0.26 -0.23 0.00 0.02 0.00 0.00 55.97 56.31 3lin s LYS 25 Cb -0.36 0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 36.98 3lin s LYS 25 CO 0.40 -0.03 0.70 0.99 -0.92 0.00 0.00 175.35 176.49 3lin s THR 26 N -0.71 5.04 0.16 2.17 2.01 -1.26 -0.74 115.64 122.32 3lin s THR 26 Ca -0.08 1.44 0.03 0.00 0.31 0.00 0.00 61.69 63.39 3lin s THR 26 Cb -0.05 -4.04 -0.05 0.00 0.01 0.00 0.00 72.50 68.38 3lin s THR 26 CO -0.00 0.25 -0.05 0.27 -0.69 0.00 0.00 174.62 174.39 3lin s ILE 27 N 0.84 0.95 -0.25 1.82 -4.36 -0.11 -4.97 121.20 115.13 3lin s ILE 27 Ca 0.37 -2.02 -0.09 0.00 -0.26 0.00 0.00 60.65 58.66 3lin s ILE 27 Cb -0.18 -1.99 -0.04 0.00 1.25 0.00 0.00 42.46 41.51 3lin s ILE 27 CO 0.18 -0.61 0.11 -0.70 0.24 0.00 0.00 174.94 174.15 3lin s GLU 28 N -3.82 3.81 0.08 0.37 2.12 -1.26 -0.97 118.70 119.03 3lin s GLU 28 Ca 0.20 -0.40 0.09 0.00 0.36 0.00 0.00 54.97 55.22 3lin s GLU 28 Cb 0.04 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.98 3lin s GLU 28 CO 0.02 -0.11 -0.23 0.00 -0.54 0.00 0.00 175.26 174.41 3lin s ALA 29 N 1.45 2.47 0.04 6.30 0.00 0.71 -4.66 121.76 128.07 3lin s ALA 29 Ca 0.06 -1.32 -0.30 0.00 0.00 0.00 0.00 51.96 50.40 3lin s ALA 29 Cb -0.15 -0.56 -0.05 0.00 0.00 0.00 0.00 23.12 22.36 3lin s ALA 29 CO 0.05 0.56 1.10 -1.17 0.00 0.00 0.00 175.76 176.30 3lin s LEU 30 N -1.69 4.38 -0.38 0.00 2.96 0.06 -0.75 118.68 123.26 3lin s LEU 30 Ca 0.14 1.87 -0.24 0.00 -0.22 0.00 0.00 54.13 55.68 3lin s LEU 30 Cb -0.10 -3.58 0.01 0.00 0.50 0.00 0.00 46.19 43.03 3lin s LEU 30 CO 0.06 -0.36 0.84 -0.76 -1.32 0.00 0.00 176.35 174.80 3lin s LEU 31 N 0.94 4.09 -0.31 -0.68 1.43 -0.22 -0.12 118.68 123.81 3lin s LEU 31 Ca 0.55 0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 53.98 3lin s LEU 31 Cb -0.26 -3.10 0.10 0.00 0.03 0.00 0.00 46.19 42.97 3lin s LEU 31 CO 0.29 -0.82 0.12 -0.62 0.23 0.00 0.00 176.35 175.55 3lin s ASP 32 N 1.93 3.83 0.35 2.29 2.15 -0.61 -4.79 116.67 121.82 3lin s ASP 32 Ca 0.34 -1.63 0.27 0.00 0.43 0.00 0.00 52.55 51.95 3lin s ASP 32 Cb -0.12 -0.72 1.09 0.00 -0.30 0.00 0.00 42.92 42.87 3lin s ASP 32 CO 0.19 -0.41 1.79 0.71 -0.17 0.00 0.00 175.17 177.29 3lin h THR 33 N 6.32 0.00 0.00 1.71 1.35 -1.94 -2.27 112.91 118.08 3lin h THR 33 Ca -0.14 -0.33 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 3lin h THR 33 Cb 1.01 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 3lin h THR 33 CO 0.45 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.33 3lin n GLY 34 N 0.07 -1.05 3.51 5.82 0.00 -1.26 -4.79 105.19 107.49 3lin n GLY 34 Ca 0.02 -0.18 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.15 3.30 0.30 4.61 0.00 -0.85 -4.96 121.76 121.99 3lin s ALA 35 Ca 0.41 -1.06 0.06 0.00 0.00 0.00 0.00 51.96 51.37 3lin s ALA 35 Cb 0.21 -2.16 0.47 0.00 0.00 0.00 0.00 23.12 21.64 3lin s ALA 35 CO 0.38 -0.40 1.72 -0.44 0.00 0.00 0.00 175.76 177.03 3lin h ASP 36 N 8.02 0.31 -4.60 0.00 3.32 -1.87 0.22 116.42 121.81 3lin h ASP 36 Ca -0.37 -0.12 -0.32 0.00 0.02 0.00 0.00 57.03 56.24 3lin h ASP 36 Cb 1.18 -0.08 -0.20 0.00 0.22 0.00 0.00 39.33 40.44 3lin h ASP 36 CO 0.59 0.65 -0.74 -0.04 -1.72 0.00 0.00 179.24 177.97 3lin s MET 37 N -4.27 0.69 0.42 3.56 -1.94 -1.26 -3.67 119.30 112.82 3lin s MET 37 Ca -0.05 -0.92 -0.23 0.00 -1.71 0.00 0.00 55.69 52.78 3lin s MET 37 Cb 0.14 -0.48 -0.09 0.00 2.01 0.00 0.00 34.83 36.40 3lin s MET 37 CO 0.77 0.09 1.05 0.99 -0.01 0.00 0.00 175.02 177.91 3lin s THR 38 N -1.67 3.73 -0.10 2.05 2.01 -1.26 -4.37 115.64 116.04 3lin s THR 38 Ca -0.04 1.26 0.04 0.00 0.31 0.00 0.00 61.69 63.26 3lin s THR 38 Cb -0.08 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.82 3lin s THR 38 CO 0.01 -0.06 -0.22 -0.69 -0.69 0.00 0.00 174.62 172.96 3lin s VAL 39 N -1.74 1.94 0.17 3.82 1.01 0.29 -0.95 120.40 124.93 3lin s VAL 39 Ca 0.60 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.73 3lin s VAL 39 Cb -0.21 -1.68 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 3lin s VAL 39 CO 0.26 0.53 -0.20 0.27 0.00 0.00 0.00 175.10 175.96 3lin s ILE 40 N 0.40 1.95 0.37 2.22 -4.36 0.00 -1.24 121.20 120.54 3lin s ILE 40 Ca -0.18 -1.92 -0.25 0.00 -0.26 0.00 0.00 60.65 58.04 3lin s ILE 40 Cb -0.18 -1.90 -0.09 0.00 1.25 0.00 0.00 42.46 41.55 3lin s ILE 40 CO 0.08 -0.24 1.03 -2.16 0.24 0.00 0.00 174.94 173.89 3lin s PRO 41 N -2.69 4.31 0.58 0.37 0.04 -1.07 -1.11 135.00 135.44 3lin s PRO 41 Ca 0.16 1.51 0.28 0.00 0.04 0.00 0.00 61.00 62.99 3lin s PRO 41 Cb -0.07 -2.67 1.66 0.00 0.04 0.00 0.00 34.50 33.46 3lin s PRO 41 CO 0.07 -0.01 2.15 0.97 0.04 0.00 0.00 177.00 180.22 3lin h ILE 42 N 2.39 0.55 -0.06 0.56 6.09 -1.53 -2.06 117.51 123.44 3lin h ILE 42 Ca -0.48 0.00 0.02 0.00 -1.37 0.00 0.00 64.86 63.03 3lin h ILE 42 Cb 1.21 0.90 -0.00 0.00 0.47 0.00 0.00 36.82 39.39 3lin h ILE 42 CO 0.63 0.00 0.18 0.00 -3.07 0.00 0.00 178.15 175.89 3lin h ALA 43 N 1.86 1.37 0.00 0.18 0.00 -1.91 -0.23 119.26 120.53 3lin h ALA 43 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3lin h ALA 43 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.12 3lin h ALA 43 CO -0.00 -0.21 0.00 1.28 0.00 0.00 0.00 179.25 180.32 3lin n LEU 44 N -3.25 0.36 -4.79 0.00 4.77 -0.78 -4.84 117.00 108.47 3lin n LEU 44 Ca -0.01 0.57 -0.31 0.00 -0.03 0.00 0.00 56.01 56.22 3lin n LEU 44 Cb 0.26 -0.49 -0.06 0.00 -2.33 0.00 0.00 43.42 40.79 3lin n LEU 44 CO 0.20 -0.29 -0.25 -0.36 -1.33 0.00 0.00 177.39 175.36 3lin s PHE 45 N -3.12 3.25 0.21 -1.77 0.40 -0.10 -4.68 117.98 112.17 3lin s PHE 45 Ca 0.08 0.12 -0.31 0.00 -0.60 0.00 0.00 56.93 56.23 3lin s PHE 45 Cb 0.12 -1.66 -0.10 0.00 0.51 0.00 0.00 43.02 41.88 3lin s PHE 45 CO 0.41 0.53 1.52 -1.54 0.70 0.00 0.00 175.22 176.85 3lin s SER 46 N -2.26 6.59 0.00 1.36 1.04 -1.26 -4.86 113.70 114.30 3lin s SER 46 Ca 0.29 2.67 0.00 0.00 0.48 0.00 0.00 55.95 59.39 3lin s SER 46 Cb -0.12 -2.61 0.00 0.00 0.10 0.00 0.00 66.02 63.39 3lin s SER 46 CO 0.21 -0.79 0.57 -1.54 0.98 0.00 0.00 173.24 172.67 3lin n SER 47 N 3.19 0.00 -0.79 7.02 3.41 -1.26 -0.84 113.62 124.34 3lin n SER 47 Ca 0.11 0.16 0.08 0.00 -0.26 0.00 0.00 58.87 58.95 3lin n SER 47 Cb 0.39 -0.16 0.14 0.00 -0.26 0.00 0.00 64.21 64.33 3lin n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3lin n ASN 48 N -1.07 2.85 -4.74 4.04 4.13 -1.26 -5.04 115.26 114.18 3lin n ASN 48 Ca 0.00 -1.84 -0.41 0.00 1.68 0.00 0.00 54.58 54.01 3lin n ASN 48 Cb 0.08 -0.17 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 3lin n ASN 48 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3lin s THR 49 N -1.18 3.15 -0.12 3.41 2.01 -0.02 -4.98 115.64 117.90 3lin s THR 49 Ca 0.26 0.95 -0.29 0.00 0.31 0.00 0.00 61.69 62.91 3lin s THR 49 Cb 0.16 -3.60 -0.02 0.00 0.01 0.00 0.00 72.50 69.04 3lin s THR 49 CO 0.22 0.14 1.19 -2.16 -0.69 0.00 0.00 174.62 173.32 3lin s PRO 50 N -0.15 4.30 -0.00 4.92 0.04 -1.26 -5.04 135.00 137.81 3lin s PRO 50 Ca 0.57 1.61 0.02 0.00 0.04 0.00 0.00 61.00 63.25 3lin s PRO 50 Cb -0.37 -3.65 -0.01 0.00 0.04 0.00 0.00 34.50 30.51 3lin s PRO 50 CO 0.39 -0.56 -0.08 -0.51 0.04 0.00 0.00 177.00 176.27 3lin s LEU 51 N 2.84 2.03 0.22 -3.56 1.43 -1.26 -4.35 118.68 116.03 3lin s LEU 51 Ca 0.53 -0.17 -0.30 0.00 -1.03 0.00 0.00 54.13 53.16 3lin s LEU 51 Cb -0.22 -0.40 -0.09 0.00 0.03 0.00 0.00 46.19 45.52 3lin s LEU 51 CO 0.17 0.08 0.93 -0.54 0.23 0.00 0.00 176.35 177.22 3lin s LYS 52 N -0.29 4.83 0.58 1.70 1.02 -0.58 -4.77 119.74 122.23 3lin s LYS 52 Ca 0.02 1.47 -0.19 0.00 0.02 0.00 0.00 55.97 57.30 3lin s LYS 52 Cb -0.04 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.95 3lin s LYS 52 CO -0.00 0.49 1.17 -0.80 -0.92 0.00 0.00 175.35 175.29 3lin s ASN 53 N -1.05 5.35 0.17 2.83 0.01 -1.26 0.05 114.94 121.03 3lin s ASN 53 Ca 0.41 2.27 -0.20 0.00 -0.71 0.00 0.00 52.86 54.63 3lin s ASN 53 Cb -0.26 -2.59 0.05 0.00 0.41 0.00 0.00 41.25 38.87 3lin s ASN 53 CO 0.31 -1.48 0.55 0.28 -1.51 0.00 0.00 177.10 175.26 3lin s THR 54 N -1.74 0.02 -0.12 1.60 -1.32 -1.25 -4.74 115.64 108.08 3lin s THR 54 Ca 0.75 -0.33 -0.01 0.00 -1.21 0.00 0.00 61.69 60.89 3lin s THR 54 Cb -0.27 -1.20 -0.02 0.00 -1.51 0.00 0.00 72.50 69.50 3lin s THR 54 CO 0.32 -0.09 -0.08 -0.55 -2.21 0.00 0.00 174.62 172.01 3lin s SER 55 N -2.79 4.49 -0.03 8.08 0.15 -1.26 -4.53 113.70 117.80 3lin s SER 55 Ca 0.03 -0.16 0.04 0.00 0.70 0.00 0.00 55.95 56.57 3lin s SER 55 Cb -0.01 -1.52 -0.00 0.00 -1.71 0.00 0.00 66.02 62.78 3lin s SER 55 CO -0.10 0.23 -0.16 -0.69 1.20 0.00 0.00 173.24 173.72 3lin s VAL 56 N -0.01 1.34 -0.30 4.45 1.01 0.12 -4.99 120.40 122.02 3lin s VAL 56 Ca -0.01 -0.68 -0.13 0.00 0.00 0.00 0.00 61.98 61.15 3lin s VAL 56 Cb -0.14 -1.15 -0.03 0.00 0.00 0.00 0.00 36.38 35.06 3lin s VAL 56 CO 0.03 0.39 0.28 -0.22 0.00 0.00 0.00 175.10 175.58 3lin s LEU 57 N -0.05 4.22 0.00 3.92 2.96 -1.26 -0.74 118.68 127.73 3lin s LEU 57 Ca -0.01 -0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.83 3lin s LEU 57 Cb -0.10 -2.24 -0.00 0.00 0.50 0.00 0.00 46.19 44.34 3lin s LEU 57 CO 0.01 -0.18 0.05 0.61 -1.32 0.00 0.00 176.35 175.52 3lin n GLY 58 N 4.96 3.76 0.37 7.98 0.00 -1.15 -5.01 105.19 116.10 3lin n GLY 58 Ca -0.11 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.80 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 1.26 1.32 0.00 4.61 0.00 -2.03 -2.86 119.26 121.55 3lin h ALA 59 Ca -0.16 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3lin h ALA 59 Cb 0.58 -0.38 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3lin h ALA 59 CO 0.27 0.63 0.00 0.41 0.00 0.00 0.00 179.25 180.55 3lin n GLY 60 N -1.37 1.75 5.18 0.00 0.00 -1.26 -4.99 105.19 104.50 3lin n GLY 60 Ca 0.11 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.13 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 0.38 -2.03 3.69 -0.02 0.00 -1.08 -4.90 105.19 101.23 3lin n GLY 61 Ca 0.00 -1.40 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -0.31 4.38 -0.06 1.61 -1.52 -1.26 -2.92 119.66 119.58 3lin s GLN 62 Ca 0.00 1.63 0.02 0.00 -1.95 0.00 0.00 55.36 55.07 3lin s GLN 62 Cb 0.00 -3.53 -0.03 0.00 -0.22 0.00 0.00 33.01 29.23 3lin s GLN 62 CO 0.00 -0.40 -0.12 -0.08 -0.25 0.00 0.00 175.29 174.45 3lin s THR 63 N 2.03 3.26 -0.03 -0.19 -1.32 0.08 -4.97 115.64 114.49 3lin s THR 63 Ca 0.55 -0.64 0.09 0.00 -1.21 0.00 0.00 61.69 60.48 3lin s THR 63 Cb -0.24 -2.30 -0.14 0.00 -1.51 0.00 0.00 72.50 68.30 3lin s THR 63 CO 0.22 0.59 0.21 0.00 -2.21 0.00 0.00 174.62 173.43 3lin n GLN 64 N 2.40 0.41 -0.07 7.08 1.13 -1.26 0.14 117.38 127.20 3lin n GLN 64 Ca -0.17 -0.08 -0.06 0.00 -1.94 0.00 0.00 57.00 54.75 3lin n GLN 64 Cb 0.52 -1.21 -0.14 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 -1.80 0.71 0.11 1.08 9.92 -1.26 -4.43 116.55 120.87 3lin n ASP 65 Ca -0.02 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.23 3lin n ASP 65 Cb 0.24 1.07 0.22 0.00 -0.64 0.00 0.00 41.12 42.01 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 0.00 0.22 -3.64 1.24 3.86 -1.88 -3.45 115.15 111.50 3lin h HIS 66 Ca -0.40 -0.06 -0.67 0.00 -1.16 0.00 0.00 60.37 58.07 3lin h HIS 66 Cb 1.89 -0.05 -0.20 0.00 1.06 0.00 0.00 27.41 30.11 3lin h HIS 66 CO 0.00 0.60 -0.83 -0.06 0.86 0.00 0.00 177.93 178.50 3lin s PHE 67 N -4.05 2.39 0.36 2.45 0.40 -1.26 -1.47 117.98 116.81 3lin s PHE 67 Ca -0.04 -0.33 0.04 0.00 -0.60 0.00 0.00 56.93 56.00 3lin s PHE 67 Cb 0.13 -1.26 -0.05 0.00 0.51 0.00 0.00 43.02 42.35 3lin s PHE 67 CO 0.77 0.40 0.07 0.15 0.70 0.00 0.00 175.22 177.30 3lin s LYS 68 N -2.27 1.77 -0.05 0.44 -0.14 -0.05 -3.87 119.74 115.56 3lin s LYS 68 Ca 0.17 -2.02 0.05 0.00 -1.36 0.00 0.00 55.97 52.82 3lin s LYS 68 Cb -0.10 -0.90 -0.02 0.00 -1.68 0.00 0.00 37.83 35.13 3lin s LYS 68 CO 0.09 -0.25 -0.22 -1.17 -0.76 0.00 0.00 175.35 173.03 3lin s LEU 69 N -3.55 2.27 0.76 3.17 2.96 0.11 -0.74 118.68 123.65 3lin s LEU 69 Ca 0.32 -0.42 -0.13 0.00 -0.22 0.00 0.00 54.13 53.68 3lin s LEU 69 Cb 0.07 -1.43 0.06 0.00 0.50 0.00 0.00 46.19 45.39 3lin s LEU 69 CO 0.15 0.28 1.14 0.42 -1.32 0.00 0.00 176.35 177.01 3lin s THR 70 N -0.34 2.79 -0.44 3.68 -4.23 -0.76 -1.53 115.64 114.81 3lin s THR 70 Ca 0.02 0.31 0.22 0.00 -1.18 0.00 0.00 61.69 61.06 3lin s THR 70 Cb -0.12 -2.73 -0.24 0.00 1.34 0.00 0.00 72.50 70.75 3lin s THR 70 CO 0.02 -0.28 0.75 -1.54 -0.54 0.00 0.00 174.62 173.03 3lin n SER 71 N -3.20 0.46 -4.22 3.99 3.41 -1.26 -4.75 113.62 108.05 3lin n SER 71 Ca 0.11 -0.31 -0.20 0.00 -0.26 0.00 0.00 58.87 58.21 3lin n SER 71 Cb 0.52 1.38 -0.12 0.00 -0.26 0.00 0.00 64.21 65.73 3lin n SER 71 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3lin s LEU 72 N -4.00 2.30 0.80 1.04 2.01 -1.26 -5.07 118.68 114.50 3lin s LEU 72 Ca -0.01 -0.67 -0.14 0.00 0.01 0.00 0.00 54.13 53.33 3lin s LEU 72 Cb 0.14 -0.64 0.05 0.00 0.01 0.00 0.00 46.19 45.75 3lin s LEU 72 CO 0.87 -0.04 0.95 -2.65 1.01 0.00 0.00 176.35 176.49 3lin n PRO 73 N 1.10 0.18 -5.00 1.29 -0.02 -1.20 -4.78 135.00 126.56 3lin n PRO 73 Ca -0.20 0.13 -0.32 0.00 -2.02 0.00 0.00 63.50 61.08 3lin n PRO 73 Cb 0.54 -2.23 -0.15 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.09 2.70 -0.14 -1.45 1.01 -0.12 -4.63 120.40 115.68 3lin s VAL 74 Ca 0.70 -0.83 -0.03 0.00 0.00 0.00 0.00 61.98 61.82 3lin s VAL 74 Cb -0.30 -2.05 -0.03 0.00 0.00 0.00 0.00 36.38 34.00 3lin s VAL 74 CO 0.54 0.57 -0.04 -0.76 0.00 0.00 0.00 175.10 175.41 3lin s LEU 75 N -0.28 3.24 -0.09 3.92 1.43 -0.33 -0.48 118.68 126.09 3lin s LEU 75 Ca 0.01 -0.10 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 3lin s LEU 75 Cb -0.13 -1.76 0.01 0.00 0.03 0.00 0.00 46.19 44.34 3lin s LEU 75 CO 0.03 0.22 -0.15 -0.63 0.23 0.00 0.00 176.35 176.04 3lin s ILE 76 N 0.08 1.41 -0.20 -0.59 1.01 0.84 -0.27 121.20 123.48 3lin s ILE 76 Ca -0.01 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 59.99 3lin s ILE 76 Cb -0.14 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.04 3lin s ILE 76 CO 0.03 0.42 -0.05 -0.60 0.00 0.00 0.00 174.94 174.74 3lin s ARG 77 N 0.78 3.44 0.12 2.79 3.52 0.58 -0.47 118.95 129.69 3lin s ARG 77 Ca -0.12 -0.61 -0.06 0.00 -0.13 0.00 0.00 55.73 54.82 3lin s ARG 77 Cb -0.16 -2.96 -0.06 0.00 -1.56 0.00 0.00 34.95 30.22 3lin s ARG 77 CO 0.02 -0.08 0.37 -0.51 -0.81 0.00 0.00 175.30 174.29 3lin s LEU 78 N 1.17 4.29 0.61 -0.88 1.43 -1.26 -1.23 118.68 122.81 3lin s LEU 78 Ca 0.02 0.62 0.33 0.00 -1.03 0.00 0.00 54.13 54.07 3lin s LEU 78 Cb -0.14 -3.20 1.95 0.00 0.03 0.00 0.00 46.19 44.82 3lin s LEU 78 CO -0.01 0.09 2.26 -0.65 0.23 0.00 0.00 176.35 178.27 3lin h PRO 79 N 3.07 0.00 -0.47 1.29 0.11 -2.00 -2.66 132.00 131.34 3lin h PRO 79 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3lin h PRO 79 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3lin h PRO 79 CO 0.71 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.47 3lin n PHE 80 N -3.64 0.62 -3.83 0.65 -1.74 -1.26 -4.91 117.46 103.35 3lin n PHE 80 Ca -0.02 -0.39 -0.12 0.00 -0.56 0.00 0.00 57.45 56.35 3lin n PHE 80 Cb 0.12 -0.01 -0.12 0.00 1.52 0.00 0.00 39.48 40.99 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 -1.13 0.20 0.06 3.97 1.70 -1.00 -5.06 118.95 117.68 3lin s ARG 81 Ca 0.36 0.11 -0.14 0.00 -0.47 0.00 0.00 55.73 55.59 3lin s ARG 81 Cb 0.20 0.09 -0.29 0.00 -0.57 0.00 0.00 34.95 34.38 3lin s ARG 81 CO 0.26 -0.03 1.10 1.79 -1.08 0.00 0.00 175.30 177.34 3lin h THR 82 N 4.86 1.30 -3.28 4.99 1.35 -1.91 -3.38 112.91 116.84 3lin h THR 82 Ca -0.26 -2.54 -0.53 0.00 -0.55 0.00 0.00 66.41 62.53 3lin h THR 82 Cb 1.20 2.75 0.06 0.00 -1.73 0.00 0.00 68.15 70.43 3lin h THR 82 CO 0.42 0.77 0.79 -0.89 -0.25 0.00 0.00 175.52 176.36 3lin s THR 83 N -2.91 2.59 0.48 6.82 2.01 -1.26 -5.00 115.64 118.36 3lin s THR 83 Ca -0.09 0.48 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 3lin s THR 83 Cb 0.06 -3.31 -0.09 0.00 0.01 0.00 0.00 72.50 69.17 3lin s THR 83 CO 0.93 0.07 1.04 -2.16 -0.69 0.00 0.00 174.62 173.80 3lin s PRO 84 N -0.14 3.84 0.26 4.92 0.04 -1.26 -4.75 135.00 137.89 3lin s PRO 84 Ca 0.61 1.36 -0.30 0.00 0.04 0.00 0.00 61.00 62.72 3lin s PRO 84 Cb -0.43 -2.12 -0.09 0.00 0.04 0.00 0.00 34.50 31.90 3lin s PRO 84 CO 0.42 -0.40 1.01 0.42 0.04 0.00 0.00 177.00 178.49 3lin s ILE 85 N -1.97 3.81 -0.18 0.56 1.01 0.38 -4.89 121.20 119.91 3lin s ILE 85 Ca 0.67 1.82 0.01 0.00 0.00 0.00 0.00 60.65 63.14 3lin s ILE 85 Cb -0.16 -4.16 0.03 0.00 0.01 0.00 0.00 42.46 38.18 3lin s ILE 85 CO 0.20 0.43 -0.13 -0.69 0.00 0.00 0.00 174.94 174.75 3lin s VAL 86 N -1.14 1.71 -0.19 2.92 1.01 -1.26 -0.11 120.40 123.33 3lin s VAL 86 Ca 0.43 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3lin s VAL 86 Cb -0.29 -1.70 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 3lin s VAL 86 CO 0.36 0.29 0.03 -0.76 0.00 0.00 0.00 175.10 175.03 3lin s LEU 87 N 1.39 3.54 0.13 3.92 1.43 0.36 -4.95 118.68 124.52 3lin s LEU 87 Ca 0.01 -0.06 -0.17 0.00 -1.03 0.00 0.00 54.13 52.89 3lin s LEU 87 Cb -0.15 -1.90 -0.01 0.00 0.03 0.00 0.00 46.19 44.16 3lin s LEU 87 CO -0.09 0.12 1.73 0.74 0.23 0.00 0.00 176.35 179.08 3lin h THR 88 N 5.12 1.15 -3.82 5.49 2.02 -1.94 -0.29 112.91 120.64 3lin h THR 88 Ca -0.35 -0.40 -0.15 0.00 0.77 0.00 0.00 66.41 66.28 3lin h THR 88 Cb 1.18 0.76 -0.19 0.00 -1.74 0.00 0.00 68.15 68.15 3lin h THR 88 CO 0.65 0.16 -0.59 -0.94 0.37 0.00 0.00 175.52 175.17 3lin s SER 89 N -5.68 0.18 0.30 4.18 1.04 -1.26 -3.26 113.70 109.20 3lin s SER 89 Ca -0.13 -0.47 -0.02 0.00 0.48 0.00 0.00 55.95 55.81 3lin s SER 89 Cb 0.10 0.17 -0.01 0.00 0.10 0.00 0.00 66.02 66.38 3lin s SER 89 CO 0.73 -0.41 0.38 0.00 0.98 0.00 0.00 173.24 174.93 3lin s LEU 91 N -3.21 3.84 -0.12 0.00 1.43 -0.13 -1.82 118.68 118.68 3lin s LEU 91 Ca 0.32 1.56 -0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3lin s LEU 91 Cb 0.01 -4.43 0.03 0.00 0.03 0.00 0.00 46.19 41.82 3lin s LEU 91 CO 0.18 -0.42 -0.07 -0.69 0.23 0.00 0.00 176.35 175.58 3lin s VAL 92 N -2.32 1.02 -0.47 -1.59 1.01 0.08 -0.82 120.40 117.31 3lin s VAL 92 Ca 0.59 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 62.02 3lin s VAL 92 Cb -0.10 -1.05 0.03 0.00 0.00 0.00 0.00 36.38 35.26 3lin s VAL 92 CO 0.21 0.35 0.91 -0.62 0.00 0.00 0.00 175.10 175.95 3lin s ASP 93 N 1.71 6.46 0.12 3.32 2.15 -0.26 -0.87 116.67 129.29 3lin s ASP 93 Ca 0.05 0.02 0.24 0.00 0.43 0.00 0.00 52.55 53.28 3lin s ASP 93 Cb -0.13 -2.44 0.25 0.00 -0.30 0.00 0.00 42.92 40.31 3lin s ASP 93 CO -0.08 -1.05 1.24 0.71 -0.17 0.00 0.00 175.17 175.81 3lin h THR 94 N 6.06 0.00 0.00 1.71 1.35 -1.58 -1.17 112.91 119.27 3lin h THR 94 Ca -0.24 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3lin h THR 94 Cb 1.08 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 3lin h THR 94 CO 1.02 0.00 -0.20 1.17 -0.25 0.00 0.00 175.52 177.27 3lin n LYS 95 N -2.16 0.15 -0.06 4.72 3.00 -1.25 -4.77 118.16 117.79 3lin n LYS 95 Ca 0.03 0.29 0.11 0.00 -0.00 0.00 0.00 58.31 58.73 3lin n LYS 95 Cb 0.45 -1.01 0.13 0.00 0.00 0.00 0.00 35.03 34.61 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 3lin n ASN 96 N -3.04 3.04 -3.78 3.14 3.02 -1.26 -4.97 115.26 111.39 3lin n ASN 96 Ca -0.03 -1.94 -0.29 0.00 -0.03 0.00 0.00 54.58 52.29 3lin n ASN 96 Cb 0.10 -0.08 -0.02 0.00 -0.61 0.00 0.00 39.78 39.17 3lin n ASN 96 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3lin n ASN 97 N 1.30 -3.21 -4.70 6.41 3.02 -1.25 -4.94 115.26 111.90 3lin n ASN 97 Ca 0.15 -0.67 -0.34 0.00 -0.03 0.00 0.00 54.58 53.69 3lin n ASN 97 Cb 0.56 -2.66 0.12 0.00 -0.61 0.00 0.00 39.78 37.19 3lin n ASN 97 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 3lin s TRP 98 N -3.04 1.83 -0.15 3.10 0.23 -1.26 -4.55 118.94 115.09 3lin s TRP 98 Ca 0.56 1.66 -0.03 0.00 -2.03 0.00 0.00 56.10 56.27 3lin s TRP 98 Cb -0.31 -3.50 0.05 0.00 0.03 0.00 0.00 33.47 29.74 3lin s TRP 98 CO 0.69 -2.85 0.04 0.00 0.96 0.00 0.00 176.95 175.79 3lin s ALA 99 N -2.10 0.78 -0.08 0.98 0.00 -1.26 -2.59 121.76 117.49 3lin s ALA 99 Ca 0.74 -0.43 -0.01 0.00 0.00 0.00 0.00 51.96 52.26 3lin s ALA 99 Cb -0.29 -1.01 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3lin s ALA 99 CO 0.50 -0.94 -0.02 0.42 0.00 0.00 0.00 175.76 175.72 3lin s ILE 100 N 1.96 0.52 -0.38 0.00 1.01 -0.38 -0.76 121.20 123.16 3lin s ILE 100 Ca 0.02 0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.44 3lin s ILE 100 Cb -0.15 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.70 3lin s ILE 100 CO -0.07 0.28 0.84 -0.63 0.00 0.00 0.00 174.94 175.35 3lin s ILE 101 N 1.78 4.66 0.00 2.92 -1.09 0.83 -0.54 121.20 129.75 3lin s ILE 101 Ca 0.03 0.92 0.00 0.00 -2.23 0.00 0.00 60.65 59.37 3lin s ILE 101 Cb -0.13 -4.28 0.00 0.00 -1.58 0.00 0.00 42.46 36.48 3lin s ILE 101 CO -0.05 -0.53 0.00 0.61 -1.23 0.00 0.00 174.94 173.74 3lin n GLY 102 N 4.57 1.56 0.22 6.18 0.00 -1.26 -1.57 105.19 114.88 3lin n GLY 102 Ca 0.04 -2.07 0.10 0.00 0.00 0.00 0.00 46.02 44.10 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 -0.56 1.61 3.08 -0.72 -1.51 114.38 116.29 3lin h ARG 103 Ca 0.00 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.10 3lin h ARG 103 Cb 0.00 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.00 3lin h ARG 103 CO 0.00 0.20 0.28 0.38 -1.07 0.00 0.00 179.97 179.77 3lin h ASP 104 N 0.00 0.41 -0.01 7.04 2.03 -1.80 0.20 116.42 124.29 3lin h ASP 104 Ca -0.00 0.03 -0.18 0.00 -0.73 0.00 0.00 57.03 56.15 3lin h ASP 104 Cb 0.78 -0.04 0.01 0.00 -0.83 0.00 0.00 39.33 39.25 3lin h ASP 104 CO 0.03 0.27 -0.70 0.00 -1.03 0.00 0.00 179.24 177.81 3lin h ALA 105 N 1.30 0.09 -0.78 4.15 0.00 -1.80 -3.15 119.26 119.08 3lin h ALA 105 Ca 0.25 -0.60 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 3lin h ALA 105 Cb 0.16 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3lin h ALA 105 CO -0.17 0.43 0.43 -0.07 0.00 0.00 0.00 179.25 179.88 3lin h LEU 106 N 0.03 0.97 -0.50 0.00 3.38 -1.10 -1.99 115.31 116.10 3lin h LEU 106 Ca -0.09 -0.08 0.02 0.00 0.09 0.00 0.00 57.88 57.83 3lin h LEU 106 Cb 1.40 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3lin h LEU 106 CO 0.14 0.77 0.30 -0.61 0.09 0.00 0.00 178.44 179.14 3lin h GLN 107 N 1.09 0.59 0.00 1.13 4.15 -0.65 0.51 115.11 121.94 3lin h GLN 107 Ca 0.28 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.65 3lin h GLN 107 Cb 0.02 -0.13 -0.00 0.00 0.21 0.00 0.00 27.48 27.57 3lin h GLN 107 CO -0.05 0.39 -0.07 1.96 -1.93 0.00 0.00 178.83 179.14 3lin h GLN 108 N 0.61 0.00 -0.64 1.69 4.20 -1.32 -0.42 115.11 119.22 3lin h GLN 108 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 3lin h GLN 108 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3lin h GLN 108 CO -0.08 0.07 0.00 0.00 -0.67 0.00 0.00 178.83 178.14 3lin n GLN 110 N 1.01 -2.96 -1.89 0.00 6.02 -0.17 -4.96 117.38 114.43 3lin n GLN 110 Ca 0.27 0.85 -0.38 0.00 -0.01 0.00 0.00 57.00 57.72 3lin n GLN 110 Cb 0.99 -5.57 0.03 0.00 1.02 0.00 0.00 30.24 26.70 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 -2.31 2.88 0.07 1.08 0.00 0.12 -5.01 107.32 104.14 3lin s GLY 111 Ca 0.13 1.27 0.02 0.00 0.00 0.00 0.00 44.72 46.15 3lin s GLY 111 CO 0.16 1.80 -0.07 -1.34 0.00 0.00 0.00 173.10 173.66 3lin s VAL 112 N -1.33 0.61 -0.13 1.40 -7.23 -1.26 -4.77 120.40 107.70 3lin s VAL 112 Ca 0.68 -1.60 -0.13 0.00 -1.81 0.00 0.00 61.98 59.11 3lin s VAL 112 Cb -0.39 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.25 3lin s VAL 112 CO 0.47 -0.69 0.30 -0.76 -0.31 0.00 0.00 175.10 174.10 3lin s LEU 113 N -2.47 4.30 -0.18 1.32 1.43 -1.26 -5.09 118.68 116.74 3lin s LEU 113 Ca 0.03 0.59 0.01 0.00 -1.03 0.00 0.00 54.13 53.73 3lin s LEU 113 Cb -0.01 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.85 3lin s LEU 113 CO -0.03 0.18 -0.18 -0.47 0.23 0.00 0.00 176.35 176.08 3lin s TYR 114 N 0.00 2.78 -0.19 0.29 5.04 -1.26 -5.10 117.35 118.92 3lin s TYR 114 Ca 0.18 -1.48 -0.00 0.00 -2.44 0.00 0.00 57.07 53.33 3lin s TYR 114 Cb -0.14 -1.92 0.01 0.00 0.35 0.00 0.00 41.96 40.26 3lin s TYR 114 CO 0.06 -0.72 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.88 3lin s LEU 115 N 1.21 2.39 0.00 6.97 1.43 -1.26 -5.17 118.68 124.25 3lin s LEU 115 Ca 0.03 -0.61 0.10 0.00 -1.03 0.00 0.00 54.13 52.62 3lin s LEU 115 Cb -0.14 -1.55 0.61 0.00 0.03 0.00 0.00 46.19 45.14 3lin s LEU 115 CO -0.09 -0.01 1.05 -2.65 0.23 0.00 0.00 176.35 174.88