#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 5.21 -0.24 0.52 1.01 -1.26 -5.08 120.40 120.56 3lin s VAL 2 Ca 0.00 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 62.68 3lin s VAL 2 Cb 0.00 -3.74 -0.00 0.00 0.00 0.00 0.00 36.38 32.64 3lin s VAL 2 CO 0.00 0.28 -0.01 -0.63 0.00 0.00 0.00 175.10 174.74 3lin s ILE 3 N 1.07 3.48 0.56 2.22 1.01 -1.26 -5.10 121.20 123.18 3lin s ILE 3 Ca 0.20 -0.58 -0.15 0.00 0.00 0.00 0.00 60.65 60.12 3lin s ILE 3 Cb -0.15 -2.65 -0.06 0.00 0.01 0.00 0.00 42.46 39.61 3lin s ILE 3 CO 0.08 0.32 1.01 -2.84 0.00 0.00 0.00 174.94 173.51 3lin s PRO 4 N 1.47 3.73 -0.13 2.79 0.02 -1.26 -5.05 135.00 136.57 3lin s PRO 4 Ca 0.04 0.96 -0.03 0.00 0.02 0.00 0.00 61.00 61.99 3lin s PRO 4 Cb -0.15 -2.10 -0.03 0.00 0.02 0.00 0.00 34.50 32.24 3lin s PRO 4 CO -0.02 -0.46 -0.01 -0.51 -0.33 0.00 0.00 177.00 175.67 3lin s LEU 5 N -4.43 3.43 -0.20 -5.54 1.43 -1.26 -4.87 118.68 107.24 3lin s LEU 5 Ca 0.59 -0.00 -0.11 0.00 -1.03 0.00 0.00 54.13 53.58 3lin s LEU 5 Cb -0.11 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.36 3lin s LEU 5 CO 0.38 0.25 0.48 -0.62 0.23 0.00 0.00 176.35 177.07 3lin s ASP 6 N -0.12 -0.61 0.41 2.29 -1.08 -1.26 -5.05 116.67 111.26 3lin s ASP 6 Ca 0.04 1.06 0.11 0.00 -0.52 0.00 0.00 52.55 53.23 3lin s ASP 6 Cb -0.13 0.99 0.88 0.00 -1.46 0.00 0.00 42.92 43.20 3lin s ASP 6 CO 0.02 -0.21 1.96 1.55 0.52 0.00 0.00 175.17 179.01 3lin h PRO 7 N 7.20 0.18 0.00 4.34 0.13 -2.02 -2.83 132.00 139.00 3lin h PRO 7 Ca -0.33 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.76 3lin h PRO 7 Cb 1.19 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3lin h PRO 7 CO 0.25 0.30 0.00 0.00 -0.23 0.00 0.00 178.00 178.32 3lin n ALA 8 N -2.50 2.24 -3.69 -0.56 0.00 -1.26 -4.73 120.51 110.01 3lin n ALA 8 Ca -0.01 -0.10 -0.20 0.00 0.00 0.00 0.00 53.44 53.13 3lin n ALA 8 Cb 0.24 -1.43 -0.18 0.00 0.00 0.00 0.00 19.45 18.08 3lin n ALA 8 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3lin s ARG 9 N -2.87 0.03 0.24 0.00 0.52 -1.07 -5.13 118.95 110.67 3lin s ARG 9 Ca 0.17 0.32 -0.30 0.00 -0.52 0.00 0.00 55.73 55.40 3lin s ARG 9 Cb 0.17 -0.56 -0.09 0.00 0.52 0.00 0.00 34.95 35.00 3lin s ARG 9 CO 0.46 -0.31 1.16 1.03 0.02 0.00 0.00 175.30 177.66 3lin s ARG 10 N 2.05 4.55 -0.24 3.54 0.52 -1.26 -4.31 118.95 123.79 3lin s ARG 10 Ca 0.04 1.88 -0.29 0.00 -0.52 0.00 0.00 55.73 56.84 3lin s ARG 10 Cb -0.12 -3.20 0.01 0.00 0.52 0.00 0.00 34.95 32.16 3lin s ARG 10 CO -0.03 0.04 1.04 -1.25 0.02 0.00 0.00 175.30 175.12 3lin s PRO 11 N -0.97 4.24 0.16 3.54 0.04 -1.26 -4.99 135.00 135.77 3lin s PRO 11 Ca 0.48 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.88 3lin s PRO 11 Cb -0.33 -3.65 -0.05 0.00 0.04 0.00 0.00 34.50 30.52 3lin s PRO 11 CO 0.40 -0.65 -0.05 0.14 0.04 0.00 0.00 177.00 176.88 3lin s VAL 12 N 3.22 0.96 -0.10 -0.36 -7.23 -1.26 -0.37 120.40 115.27 3lin s VAL 12 Ca 0.44 -2.02 -0.09 0.00 -1.81 0.00 0.00 61.98 58.50 3lin s VAL 12 Cb -0.15 -1.98 0.02 0.00 0.56 0.00 0.00 36.38 34.84 3lin s VAL 12 CO 0.07 -0.63 0.26 -0.51 -0.31 0.00 0.00 175.10 173.98 3lin s ILE 13 N -3.47 0.00 0.30 -0.62 2.07 -0.53 -4.90 121.20 114.04 3lin s ILE 13 Ca 0.20 -0.00 -0.28 0.00 -1.41 0.00 0.00 60.65 59.16 3lin s ILE 13 Cb 0.04 -0.36 -0.09 0.00 0.13 0.00 0.00 42.46 42.18 3lin s ILE 13 CO 0.02 -0.00 0.99 -0.54 -1.91 0.00 0.00 174.94 173.50 3lin s LYS 14 N 0.13 4.62 -0.04 3.50 -0.14 -1.26 -0.98 119.74 125.57 3lin s LYS 14 Ca -0.00 1.51 -0.06 0.00 -1.36 0.00 0.00 55.97 56.05 3lin s LYS 14 Cb -0.02 -3.00 0.01 0.00 -1.68 0.00 0.00 37.83 33.15 3lin s LYS 14 CO 0.00 0.28 0.15 0.00 -0.76 0.00 0.00 175.35 175.03 3lin s ALA 15 N -1.39 -0.38 -0.25 5.17 0.00 -0.46 -4.19 121.76 120.26 3lin s ALA 15 Ca 0.47 0.26 -0.17 0.00 0.00 0.00 0.00 51.96 52.52 3lin s ALA 15 Cb -0.24 -0.14 -0.03 0.00 0.00 0.00 0.00 23.12 22.70 3lin s ALA 15 CO 0.31 -0.12 0.48 -1.14 0.00 0.00 0.00 175.76 175.29 3lin s GLN 16 N -0.40 4.09 -0.22 0.00 0.74 0.60 -1.12 119.66 123.35 3lin s GLN 16 Ca -0.05 0.29 -0.07 0.00 0.05 0.00 0.00 55.36 55.58 3lin s GLN 16 Cb -0.03 -3.63 -0.03 0.00 1.10 0.00 0.00 33.01 30.42 3lin s GLN 16 CO 0.01 -0.28 0.05 0.08 -0.55 0.00 0.00 175.29 174.60 3lin s VAL 17 N 2.07 4.35 -0.36 1.34 1.01 0.40 -0.03 120.40 129.19 3lin s VAL 17 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 61.98 61.95 3lin s VAL 17 Cb -0.16 -3.00 0.05 0.00 0.00 0.00 0.00 36.38 33.28 3lin s VAL 17 CO 0.09 0.40 0.14 -0.62 0.00 0.00 0.00 175.10 175.10 3lin s ASP 18 N 1.09 5.34 0.00 3.32 2.15 0.16 -1.24 116.67 127.49 3lin s ASP 18 Ca 0.04 -1.30 0.21 0.00 0.43 0.00 0.00 52.55 51.93 3lin s ASP 18 Cb -0.14 -1.88 0.92 0.00 -0.30 0.00 0.00 42.92 41.52 3lin s ASP 18 CO 0.03 -0.38 1.69 0.35 -0.17 0.00 0.00 175.17 176.68 3lin n THR 19 N 4.80 0.52 -1.18 1.71 -2.24 -1.26 -1.10 114.28 115.52 3lin n THR 19 Ca -0.11 0.13 -0.06 0.00 -2.27 0.00 0.00 64.05 61.74 3lin n THR 19 Cb 0.44 -0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 67.88 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 -1.49 -0.91 -0.00 -0.78 6.02 -1.26 -4.83 117.38 114.12 3lin n GLN 20 Ca 0.05 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 3lin n GLN 20 Cb 0.25 -4.53 0.00 0.00 1.02 0.00 0.00 30.24 26.98 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 -2.58 0.15 -4.02 5.09 -2.24 -1.26 -5.05 114.28 104.36 3lin n THR 21 Ca -0.06 -0.57 0.03 0.00 -2.27 0.00 0.00 64.05 61.18 3lin n THR 21 Cb 0.33 0.93 0.01 0.00 -2.10 0.00 0.00 70.33 69.50 3lin n THR 21 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3lin n SER 22 N -0.05 -0.81 -4.79 3.42 3.41 -1.26 -4.80 113.62 108.74 3lin n SER 22 Ca 0.00 -1.05 -0.31 0.00 -0.26 0.00 0.00 58.87 57.26 3lin n SER 22 Cb 0.04 1.22 0.08 0.00 -0.26 0.00 0.00 64.21 65.29 3lin n SER 22 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 3lin s HIS 23 N -2.06 2.80 0.38 7.33 0.00 -1.26 -4.57 115.29 117.90 3lin s HIS 23 Ca 0.25 1.48 -0.28 0.00 -3.00 0.00 0.00 55.06 53.51 3lin s HIS 23 Cb -0.00 -2.98 -0.11 0.00 -4.00 0.00 0.00 32.58 25.48 3lin s HIS 23 CO -0.02 -1.58 1.44 -2.30 -1.00 0.00 0.00 174.74 171.28 3lin n PRO 24 N -3.37 2.51 -4.32 -0.38 -0.02 -1.26 -4.78 135.00 123.38 3lin n PRO 24 Ca 0.08 0.88 -0.19 0.00 -2.02 0.00 0.00 63.50 62.26 3lin n PRO 24 Cb 0.53 -2.59 -0.13 0.00 -0.02 0.00 0.00 33.50 31.29 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 -2.10 0.83 -0.13 -0.52 1.02 -0.37 -4.92 119.74 113.54 3lin s LYS 25 Ca 0.54 -0.65 -0.25 0.00 0.02 0.00 0.00 55.97 55.64 3lin s LYS 25 Cb -0.49 -0.79 -0.02 0.00 -0.52 0.00 0.00 37.83 36.00 3lin s LYS 25 CO 0.63 0.20 0.80 0.99 -0.92 0.00 0.00 175.35 177.05 3lin s THR 26 N -0.76 4.93 0.16 2.17 2.01 -1.26 -0.46 115.64 122.43 3lin s THR 26 Ca 0.00 1.60 0.06 0.00 0.31 0.00 0.00 61.69 63.66 3lin s THR 26 Cb -0.07 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.27 3lin s THR 26 CO 0.01 0.10 -0.12 0.27 -0.69 0.00 0.00 174.62 174.19 3lin s ILE 27 N 1.71 1.35 -0.34 1.82 -4.36 -0.28 -4.97 121.20 116.14 3lin s ILE 27 Ca 0.39 -2.08 -0.11 0.00 -0.26 0.00 0.00 60.65 58.59 3lin s ILE 27 Cb -0.17 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.66 3lin s ILE 27 CO 0.15 -0.68 0.19 -0.70 0.24 0.00 0.00 174.94 174.14 3lin s GLU 28 N -3.64 3.20 -0.06 0.37 2.12 -1.26 -1.36 118.70 118.08 3lin s GLU 28 Ca 0.18 -0.82 0.03 0.00 0.36 0.00 0.00 54.97 54.72 3lin s GLU 28 Cb 0.01 -3.68 -0.03 0.00 0.26 0.00 0.00 34.13 30.70 3lin s GLU 28 CO 0.03 -0.52 -0.14 0.00 -0.54 0.00 0.00 175.26 174.09 3lin s ALA 29 N 1.62 2.69 0.04 6.30 0.00 -0.16 -4.58 121.76 127.67 3lin s ALA 29 Ca 0.04 -0.97 -0.31 0.00 0.00 0.00 0.00 51.96 50.73 3lin s ALA 29 Cb -0.18 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 3lin s ALA 29 CO 0.07 0.54 1.28 -1.17 0.00 0.00 0.00 175.76 176.49 3lin s LEU 30 N -0.68 4.34 -0.47 0.00 2.96 -0.43 -1.46 118.68 122.95 3lin s LEU 30 Ca 0.10 2.07 -0.28 0.00 -0.22 0.00 0.00 54.13 55.81 3lin s LEU 30 Cb -0.11 -3.57 0.03 0.00 0.50 0.00 0.00 46.19 43.04 3lin s LEU 30 CO 0.01 -0.58 1.06 -0.76 -1.32 0.00 0.00 176.35 174.76 3lin s LEU 31 N 1.53 3.78 -0.36 -0.68 1.43 0.50 -0.04 118.68 124.84 3lin s LEU 31 Ca 0.61 0.35 0.01 0.00 -1.03 0.00 0.00 54.13 54.07 3lin s LEU 31 Cb -0.31 -3.42 0.11 0.00 0.03 0.00 0.00 46.19 42.61 3lin s LEU 31 CO 0.28 -1.17 0.14 -0.62 0.23 0.00 0.00 176.35 175.20 3lin s ASP 32 N 2.37 4.09 0.05 2.29 -1.08 -0.80 -4.79 116.67 118.82 3lin s ASP 32 Ca 0.44 -2.10 0.15 0.00 -0.52 0.00 0.00 52.55 50.52 3lin s ASP 32 Cb -0.08 -1.12 0.65 0.00 -1.46 0.00 0.00 42.92 40.91 3lin s ASP 32 CO 0.29 -0.36 1.48 0.35 0.52 0.00 0.00 175.17 177.46 3lin n THR 33 N 4.26 1.05 0.40 1.71 -2.24 -1.26 -2.13 114.28 116.06 3lin n THR 33 Ca 0.03 0.27 0.09 0.00 -2.27 0.00 0.00 64.05 62.17 3lin n THR 33 Cb 0.39 -1.08 0.25 0.00 -2.10 0.00 0.00 70.33 67.79 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 -0.14 1.40 3.55 3.38 0.00 -1.26 -4.82 105.19 107.30 3lin n GLY 34 Ca 0.03 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 -1.37 3.42 0.33 4.61 0.00 -0.91 -4.96 121.76 122.89 3lin s ALA 35 Ca 0.36 -1.10 0.04 0.00 0.00 0.00 0.00 51.96 51.27 3lin s ALA 35 Cb 0.19 -2.36 0.57 0.00 0.00 0.00 0.00 23.12 21.53 3lin s ALA 35 CO 0.26 -0.52 1.85 -0.44 0.00 0.00 0.00 175.76 176.90 3lin h ASP 36 N 8.30 0.48 -4.59 0.00 3.32 -1.88 -0.91 116.42 121.13 3lin h ASP 36 Ca -0.36 -0.10 -0.27 0.00 0.02 0.00 0.00 57.03 56.31 3lin h ASP 36 Cb 1.19 -0.13 -0.18 0.00 0.22 0.00 0.00 39.33 40.43 3lin h ASP 36 CO 0.56 0.59 -0.72 -0.04 -1.72 0.00 0.00 179.24 177.90 3lin s MET 37 N -4.87 0.73 0.45 3.56 -1.94 -1.26 -3.83 119.30 112.14 3lin s MET 37 Ca -0.07 -1.07 -0.22 0.00 -1.71 0.00 0.00 55.69 52.62 3lin s MET 37 Cb 0.15 -0.34 -0.09 0.00 2.01 0.00 0.00 34.83 36.56 3lin s MET 37 CO 0.77 0.04 1.02 0.99 -0.01 0.00 0.00 175.02 177.83 3lin s THR 38 N -2.45 3.91 -0.09 2.05 2.01 -1.26 -4.40 115.64 115.41 3lin s THR 38 Ca 0.02 1.27 0.03 0.00 0.31 0.00 0.00 61.69 63.32 3lin s THR 38 Cb -0.03 -3.56 0.01 0.00 0.01 0.00 0.00 72.50 68.93 3lin s THR 38 CO -0.01 -0.18 -0.19 -0.69 -0.69 0.00 0.00 174.62 172.85 3lin s VAL 39 N -1.93 1.69 0.16 3.82 1.01 0.20 -1.53 120.40 123.83 3lin s VAL 39 Ca 0.63 -0.79 0.09 0.00 0.00 0.00 0.00 61.98 61.91 3lin s VAL 39 Cb -0.16 -1.49 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 3lin s VAL 39 CO 0.20 0.48 -0.20 0.27 0.00 0.00 0.00 175.10 175.85 3lin s ILE 40 N 0.57 1.94 0.30 2.22 -4.36 -0.60 -0.66 121.20 120.60 3lin s ILE 40 Ca -0.15 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.05 3lin s ILE 40 Cb -0.17 -1.88 -0.09 0.00 1.25 0.00 0.00 42.46 41.57 3lin s ILE 40 CO 0.05 -0.23 1.08 -2.16 0.24 0.00 0.00 174.94 173.92 3lin s PRO 41 N -2.65 4.57 0.52 0.37 0.04 -1.14 -1.09 135.00 135.62 3lin s PRO 41 Ca 0.16 1.74 0.27 0.00 0.04 0.00 0.00 61.00 63.21 3lin s PRO 41 Cb -0.07 -3.09 1.39 0.00 0.04 0.00 0.00 34.50 32.77 3lin s PRO 41 CO 0.07 0.17 1.93 0.97 0.04 0.00 0.00 177.00 180.18 3lin h ILE 42 N 2.95 0.65 -0.28 0.56 6.09 -1.63 -1.97 117.51 123.88 3lin h ILE 42 Ca -0.47 -0.02 0.08 0.00 -1.37 0.00 0.00 64.86 63.08 3lin h ILE 42 Cb 1.21 0.58 -0.01 0.00 0.47 0.00 0.00 36.82 39.07 3lin h ILE 42 CO 0.66 0.01 0.54 0.00 -3.07 0.00 0.00 178.15 176.29 3lin h ALA 43 N 1.63 1.90 0.00 0.18 0.00 -1.92 0.54 119.26 121.59 3lin h ALA 43 Ca 0.36 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.21 3lin h ALA 43 Cb 1.34 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 3lin h ALA 43 CO -0.03 -0.68 -0.24 -0.07 0.00 0.00 0.00 179.25 178.23 3lin h LEU 44 N 0.00 0.00 -9.64 0.00 3.38 -1.75 -3.44 115.31 103.86 3lin h LEU 44 Ca 0.13 0.00 -0.66 0.00 0.09 0.00 0.00 57.88 57.44 3lin h LEU 44 Cb 1.21 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.89 3lin h LEU 44 CO -0.00 0.24 -0.51 -0.36 0.09 0.00 0.00 178.44 177.89 3lin s PHE 45 N -4.21 3.49 0.37 1.13 0.40 0.18 -4.88 117.98 114.46 3lin s PHE 45 Ca -0.03 0.39 -0.26 0.00 -0.60 0.00 0.00 56.93 56.43 3lin s PHE 45 Cb 0.14 -1.86 -0.11 0.00 0.51 0.00 0.00 43.02 41.70 3lin s PHE 45 CO 0.66 0.65 1.19 -1.13 0.70 0.00 0.00 175.22 177.29 3lin n SER 46 N 1.54 2.19 -0.58 1.36 3.41 -1.26 -4.81 113.62 115.47 3lin n SER 46 Ca -0.16 1.14 0.00 0.00 -0.26 0.00 0.00 58.87 59.59 3lin n SER 46 Cb 0.54 -1.44 0.00 0.00 -0.26 0.00 0.00 64.21 63.05 3lin n SER 46 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3lin n SER 47 N 0.61 0.00 -0.00 4.04 3.41 -1.26 -2.60 113.62 117.81 3lin n SER 47 Ca 0.07 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.70 3lin n SER 47 Cb 0.37 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 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 0.56 1.24 -4.72 4.04 4.13 -1.26 -5.11 115.26 114.14 3lin n ASN 48 Ca 0.00 -0.43 -0.31 0.00 1.68 0.00 0.00 54.58 55.51 3lin n ASN 48 Cb 0.00 1.05 0.13 0.00 -1.54 0.00 0.00 39.78 39.42 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 -1.63 2.64 -0.34 3.41 2.01 -1.07 -4.96 115.64 115.68 3lin s THR 49 Ca 0.01 0.22 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 3lin s THR 49 Cb 0.03 -2.49 -0.01 0.00 0.01 0.00 0.00 72.50 70.05 3lin s THR 49 CO 0.17 -0.26 0.50 -2.16 -0.69 0.00 0.00 174.62 172.18 3lin s PRO 50 N -4.68 3.64 -0.18 4.92 0.05 -1.26 -5.04 135.00 132.46 3lin s PRO 50 Ca 0.65 -0.16 0.01 0.00 0.05 0.00 0.00 61.00 61.55 3lin s PRO 50 Cb -0.21 -3.80 0.02 0.00 0.05 0.00 0.00 34.50 30.56 3lin s PRO 50 CO 0.56 -0.62 -0.19 -0.51 0.05 0.00 0.00 177.00 176.28 3lin s LEU 51 N 2.36 2.08 0.23 -3.56 1.43 -1.26 -4.34 118.68 115.62 3lin s LEU 51 Ca 0.18 -0.63 -0.31 0.00 -1.03 0.00 0.00 54.13 52.34 3lin s LEU 51 Cb -0.16 -1.45 -0.11 0.00 0.03 0.00 0.00 46.19 44.51 3lin s LEU 51 CO 0.13 -0.00 1.63 -0.54 0.23 0.00 0.00 176.35 177.79 3lin s LYS 52 N 1.29 4.15 0.73 1.70 1.02 -1.16 -4.77 119.74 122.70 3lin s LYS 52 Ca 0.04 2.53 -0.14 0.00 0.02 0.00 0.00 55.97 58.42 3lin s LYS 52 Cb -0.13 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 3lin s LYS 52 CO -0.12 -0.66 1.15 -0.80 -0.92 0.00 0.00 175.35 174.00 3lin s ASN 53 N 0.87 4.43 0.21 2.83 0.01 -1.26 -0.62 114.94 121.41 3lin s ASN 53 Ca 0.69 2.13 -0.20 0.00 -0.71 0.00 0.00 52.86 54.76 3lin s ASN 53 Cb -0.47 -2.56 0.04 0.00 0.41 0.00 0.00 41.25 38.66 3lin s ASN 53 CO 0.38 -2.09 0.60 0.28 -1.51 0.00 0.00 177.10 174.76 3lin s THR 54 N -2.32 0.01 -0.12 1.60 -1.32 -1.22 -4.72 115.64 107.55 3lin s THR 54 Ca 0.69 -0.59 0.02 0.00 -1.21 0.00 0.00 61.69 60.59 3lin s THR 54 Cb -0.23 -1.51 0.01 0.00 -1.51 0.00 0.00 72.50 69.26 3lin s THR 54 CO 0.47 -0.05 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.71 3lin s SER 55 N -2.85 2.67 0.08 8.08 1.04 -1.26 -4.38 113.70 117.09 3lin s SER 55 Ca 0.07 -0.49 0.09 0.00 0.48 0.00 0.00 55.95 56.10 3lin s SER 55 Cb -0.02 -1.21 -0.03 0.00 0.10 0.00 0.00 66.02 64.86 3lin s SER 55 CO -0.03 0.03 -0.22 -0.69 0.98 0.00 0.00 173.24 173.30 3lin s VAL 56 N 0.97 1.83 -0.18 5.02 1.01 -0.53 -4.97 120.40 123.55 3lin s VAL 56 Ca -0.06 -1.46 -0.16 0.00 0.00 0.00 0.00 61.98 60.30 3lin s VAL 56 Cb -0.15 -1.63 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3lin s VAL 56 CO -0.02 0.09 0.41 -0.22 0.00 0.00 0.00 175.10 175.36 3lin s LEU 57 N -1.65 4.18 0.00 3.92 2.96 -1.26 -1.22 118.68 125.61 3lin s LEU 57 Ca 0.09 0.58 0.02 0.00 -0.22 0.00 0.00 54.13 54.60 3lin s LEU 57 Cb -0.10 -2.55 -0.01 0.00 0.50 0.00 0.00 46.19 44.04 3lin s LEU 57 CO 0.04 -0.06 0.08 0.61 -1.32 0.00 0.00 176.35 175.70 3lin n GLY 58 N 3.76 3.68 0.23 7.98 0.00 0.27 -4.99 105.19 116.12 3lin n GLY 58 Ca -0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 43.99 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 1.34 1.35 0.00 4.61 0.00 -2.02 -0.84 119.26 123.70 3lin h ALA 59 Ca -0.13 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.51 3lin h ALA 59 Cb 0.54 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3lin h ALA 59 CO 0.21 0.44 0.00 0.41 0.00 0.00 0.00 179.25 180.31 3lin n GLY 60 N -0.67 -0.94 0.00 0.00 0.00 -1.26 -5.01 105.19 97.31 3lin n GLY 60 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.31 -0.53 3.71 -0.02 0.00 -0.32 -4.98 105.19 103.35 3lin n GLY 61 Ca 0.08 -2.16 -0.42 0.00 0.00 0.00 0.00 46.02 43.52 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 4.47 -0.01 1.61 -1.52 -1.26 -0.57 119.66 122.37 3lin s GLN 62 Ca 0.00 1.69 0.07 0.00 -1.95 0.00 0.00 55.36 55.16 3lin s GLN 62 Cb 0.00 -3.37 -0.02 0.00 -0.22 0.00 0.00 33.01 29.39 3lin s GLN 62 CO 0.00 -0.20 -0.21 -0.08 -0.25 0.00 0.00 175.29 174.55 3lin s THR 63 N 1.01 2.49 -0.35 -0.19 -1.32 -0.36 -4.97 115.64 111.95 3lin s THR 63 Ca 0.57 -1.03 0.03 0.00 -1.21 0.00 0.00 61.69 60.05 3lin s THR 63 Cb -0.27 -1.94 0.05 0.00 -1.51 0.00 0.00 72.50 68.82 3lin s THR 63 CO 0.29 0.52 0.77 0.00 -2.21 0.00 0.00 174.62 174.00 3lin n GLN 64 N 2.19 0.73 -0.10 7.08 3.00 -1.26 -1.45 117.38 127.57 3lin n GLN 64 Ca -0.16 -1.05 -0.24 0.00 -0.01 0.00 0.00 57.00 55.54 3lin n GLN 64 Cb 0.52 -1.07 -0.11 0.00 0.00 0.00 0.00 30.24 29.57 3lin n GLN 64 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.06 173.59 3lin n ASP 65 N 0.04 1.96 0.09 1.08 2.03 -1.26 -4.49 116.55 115.99 3lin n ASP 65 Ca 0.02 0.28 -0.04 0.00 0.52 0.00 0.00 54.79 55.57 3lin n ASP 65 Cb 0.16 -0.82 -0.04 0.00 -0.72 0.00 0.00 41.12 39.70 3lin n ASP 65 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 3lin h HIS 66 N -0.68 0.00 -4.44 -0.67 3.86 -1.88 -3.45 115.15 107.88 3lin h HIS 66 Ca -0.53 0.00 -0.70 0.00 -1.16 0.00 0.00 60.37 57.99 3lin h HIS 66 Cb 1.62 0.00 -0.29 0.00 1.06 0.00 0.00 27.41 29.80 3lin h HIS 66 CO 0.02 0.83 -0.87 -0.06 0.86 0.00 0.00 177.93 178.71 3lin s PHE 67 N -2.89 2.40 0.47 2.45 0.40 -1.26 -1.46 117.98 118.09 3lin s PHE 67 Ca 0.01 -0.44 0.05 0.00 -0.60 0.00 0.00 56.93 55.96 3lin s PHE 67 Cb 0.10 -1.53 -0.02 0.00 0.51 0.00 0.00 43.02 42.08 3lin s PHE 67 CO 0.79 -0.03 0.20 0.15 0.70 0.00 0.00 175.22 177.03 3lin s LYS 68 N -0.56 2.22 -0.01 0.44 -0.14 -0.19 -3.37 119.74 118.13 3lin s LYS 68 Ca 0.08 -2.02 0.08 0.00 -1.36 0.00 0.00 55.97 52.75 3lin s LYS 68 Cb -0.11 -1.91 -0.02 0.00 -1.68 0.00 0.00 37.83 34.11 3lin s LYS 68 CO -0.00 -0.31 -0.25 -1.17 -0.76 0.00 0.00 175.35 172.86 3lin s LEU 69 N -4.00 2.10 0.77 3.17 2.96 0.21 0.12 118.68 124.01 3lin s LEU 69 Ca 0.31 -0.47 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 3lin s LEU 69 Cb 0.02 -1.35 0.06 0.00 0.50 0.00 0.00 46.19 45.42 3lin s LEU 69 CO 0.18 0.31 1.13 0.42 -1.32 0.00 0.00 176.35 177.07 3lin s THR 70 N -0.64 2.83 -0.11 3.68 -4.23 -0.71 -2.98 115.64 113.49 3lin s THR 70 Ca 0.10 0.33 0.16 0.00 -1.18 0.00 0.00 61.69 61.09 3lin s THR 70 Cb -0.10 -2.74 -0.22 0.00 1.34 0.00 0.00 72.50 70.78 3lin s THR 70 CO -0.00 -0.30 0.52 -1.20 -0.54 0.00 0.00 174.62 173.09 3lin n SER 71 N -3.23 0.57 -4.43 3.99 7.64 -1.26 -4.79 113.62 112.12 3lin n SER 71 Ca 0.11 0.27 -0.29 0.00 1.01 0.00 0.00 58.87 59.96 3lin n SER 71 Cb 0.52 0.39 -0.12 0.00 -1.01 0.00 0.00 64.21 63.99 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 -5.77 2.46 0.55 -3.43 2.01 -1.26 -5.06 118.68 108.17 3lin s LEU 72 Ca -0.06 -0.67 -0.18 0.00 0.01 0.00 0.00 54.13 53.23 3lin s LEU 72 Cb 0.08 -1.34 -0.11 0.00 0.01 0.00 0.00 46.19 44.82 3lin s LEU 72 CO 0.83 0.18 0.25 -2.65 1.01 0.00 0.00 176.35 175.97 3lin n PRO 73 N 0.89 0.29 -4.84 1.29 -0.02 -1.17 -4.75 135.00 126.69 3lin n PRO 73 Ca -0.17 0.12 -0.33 0.00 -2.02 0.00 0.00 63.50 61.10 3lin n PRO 73 Cb 0.53 -1.41 -0.13 0.00 -0.02 0.00 0.00 33.50 32.47 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 -1.84 3.14 -0.11 -1.45 1.01 0.06 -4.65 120.40 116.57 3lin s VAL 74 Ca 0.64 -0.68 -0.02 0.00 0.00 0.00 0.00 61.98 61.92 3lin s VAL 74 Cb -0.46 -2.25 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3lin s VAL 74 CO 0.59 0.58 -0.05 -0.76 0.00 0.00 0.00 175.10 175.47 3lin s LEU 75 N -0.58 3.26 -0.08 3.92 1.43 -0.26 -1.13 118.68 125.25 3lin s LEU 75 Ca 0.08 -0.04 0.01 0.00 -1.03 0.00 0.00 54.13 53.15 3lin s LEU 75 Cb -0.11 -1.75 0.02 0.00 0.03 0.00 0.00 46.19 44.38 3lin s LEU 75 CO 0.01 0.28 -0.09 -0.63 0.23 0.00 0.00 176.35 176.15 3lin s ILE 76 N -0.32 1.00 -0.19 -0.59 1.01 -0.13 0.36 121.20 122.33 3lin s ILE 76 Ca 0.05 -0.35 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 3lin s ILE 76 Cb -0.12 -0.96 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 3lin s ILE 76 CO 0.02 0.34 -0.05 -0.60 0.00 0.00 0.00 174.94 174.65 3lin s ARG 77 N 1.08 3.46 0.21 2.79 3.52 0.96 -0.42 118.95 130.55 3lin s ARG 77 Ca -0.07 -0.60 -0.06 0.00 -0.13 0.00 0.00 55.73 54.87 3lin s ARG 77 Cb -0.14 -2.94 -0.06 0.00 -1.56 0.00 0.00 34.95 30.24 3lin s ARG 77 CO -0.01 -0.03 0.47 -0.51 -0.81 0.00 0.00 175.30 174.41 3lin s LEU 78 N 1.04 4.19 0.57 -0.88 1.43 -1.26 -0.29 118.68 123.47 3lin s LEU 78 Ca 0.01 0.71 0.26 0.00 -1.03 0.00 0.00 54.13 54.08 3lin s LEU 78 Cb -0.15 -3.47 1.54 0.00 0.03 0.00 0.00 46.19 44.14 3lin s LEU 78 CO 0.00 -0.05 2.08 -0.65 0.23 0.00 0.00 176.35 177.96 3lin h PRO 79 N 2.44 0.00 -0.54 1.29 0.11 -1.99 -2.81 132.00 130.51 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 0.70 0.00 0.00 1.97 -0.21 0.00 0.00 178.00 180.46 3lin n PHE 80 N -4.04 0.72 -4.04 0.65 -1.74 -1.26 -4.93 117.46 102.82 3lin n PHE 80 Ca 0.03 -0.49 -0.13 0.00 -0.56 0.00 0.00 57.45 56.31 3lin n PHE 80 Cb 0.37 -0.01 -0.12 0.00 1.52 0.00 0.00 39.48 41.24 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 -1.01 0.39 -0.12 3.97 0.52 -1.06 -5.06 118.95 116.58 3lin s ARG 81 Ca 0.36 -0.49 -0.16 0.00 -0.52 0.00 0.00 55.73 54.92 3lin s ARG 81 Cb 0.19 -0.19 -0.26 0.00 0.52 0.00 0.00 34.95 35.20 3lin s ARG 81 CO 0.25 0.04 0.52 1.79 0.02 0.00 0.00 175.30 177.92 3lin h THR 82 N 4.74 1.02 -2.69 0.02 1.35 -1.92 -3.39 112.91 112.04 3lin h THR 82 Ca -0.32 -2.37 -0.54 0.00 -0.55 0.00 0.00 66.41 62.63 3lin h THR 82 Cb 1.20 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.30 3lin h THR 82 CO 0.44 0.68 1.01 -0.89 -0.25 0.00 0.00 175.52 176.51 3lin s THR 83 N -2.46 3.48 0.73 6.82 2.01 -1.26 -4.98 115.64 119.97 3lin s THR 83 Ca -0.21 0.74 -0.16 0.00 0.31 0.00 0.00 61.69 62.38 3lin s THR 83 Cb 0.04 -3.48 0.03 0.00 0.01 0.00 0.00 72.50 69.11 3lin s THR 83 CO 0.75 -0.04 1.16 -0.81 -0.69 0.00 0.00 174.62 174.99 3lin n PRO 84 N 6.39 0.59 -2.69 4.92 -0.04 -1.26 -4.80 135.00 138.12 3lin n PRO 84 Ca 0.16 0.27 -0.38 0.00 -0.04 0.00 0.00 63.50 63.50 3lin n PRO 84 Cb 0.42 -2.40 -0.06 0.00 -0.04 0.00 0.00 33.50 31.42 3lin n PRO 84 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 3lin s ILE 85 N -1.78 3.98 -0.19 0.52 1.01 0.44 -4.90 121.20 120.28 3lin s ILE 85 Ca 0.77 1.80 0.01 0.00 0.00 0.00 0.00 60.65 63.22 3lin s ILE 85 Cb -0.34 -4.07 0.04 0.00 0.01 0.00 0.00 42.46 38.10 3lin s ILE 85 CO 0.47 0.28 -0.12 -0.69 0.00 0.00 0.00 174.94 174.88 3lin s VAL 86 N -1.40 1.69 -0.22 2.92 1.01 -1.26 -0.96 120.40 122.18 3lin s VAL 86 Ca 0.47 -0.95 -0.11 0.00 0.00 0.00 0.00 61.98 61.40 3lin s VAL 86 Cb -0.24 -1.70 -0.05 0.00 0.00 0.00 0.00 36.38 34.39 3lin s VAL 86 CO 0.30 0.26 0.17 -0.76 0.00 0.00 0.00 175.10 175.07 3lin s LEU 87 N 1.39 4.15 0.25 3.92 1.43 -0.28 -4.95 118.68 124.59 3lin s LEU 87 Ca 0.00 0.19 -0.06 0.00 -1.03 0.00 0.00 54.13 53.23 3lin s LEU 87 Cb -0.15 -2.13 0.26 0.00 0.03 0.00 0.00 46.19 44.19 3lin s LEU 87 CO -0.09 0.10 1.89 0.74 0.23 0.00 0.00 176.35 179.22 3lin h THR 88 N 4.90 1.25 -3.51 5.49 2.02 -1.94 0.21 112.91 121.34 3lin h THR 88 Ca -0.39 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.13 3lin h THR 88 Cb 1.16 -0.04 -0.16 0.00 -1.74 0.00 0.00 68.15 67.37 3lin h THR 88 CO 0.70 0.27 -0.32 -0.94 0.37 0.00 0.00 175.52 175.60 3lin s SER 89 N -6.22 -0.02 0.31 4.18 1.04 -1.26 -3.07 113.70 108.66 3lin s SER 89 Ca -0.13 -0.36 0.03 0.00 0.48 0.00 0.00 55.95 55.98 3lin s SER 89 Cb 0.17 0.34 -0.02 0.00 0.10 0.00 0.00 66.02 66.60 3lin s SER 89 CO 0.82 -0.63 0.30 0.00 0.98 0.00 0.00 173.24 174.71 3lin s LEU 91 N -3.29 3.72 -0.15 0.00 1.43 -0.58 -1.73 118.68 118.08 3lin s LEU 91 Ca 0.38 1.69 0.00 0.00 -1.03 0.00 0.00 54.13 55.16 3lin s LEU 91 Cb 0.03 -4.53 0.02 0.00 0.03 0.00 0.00 46.19 41.74 3lin s LEU 91 CO 0.23 -0.64 -0.13 -0.69 0.23 0.00 0.00 176.35 175.35 3lin s VAL 92 N -2.40 1.49 -0.57 -1.59 1.01 0.32 -1.56 120.40 117.10 3lin s VAL 92 Ca 0.62 -0.61 -0.27 0.00 0.00 0.00 0.00 61.98 61.72 3lin s VAL 92 Cb -0.11 -1.43 0.03 0.00 0.00 0.00 0.00 36.38 34.87 3lin s VAL 92 CO 0.26 0.42 1.11 -0.62 0.00 0.00 0.00 175.10 176.27 3lin s ASP 93 N 1.52 6.41 0.24 3.32 2.15 -0.25 -1.02 116.67 129.03 3lin s ASP 93 Ca 0.05 -0.05 0.24 0.00 0.43 0.00 0.00 52.55 53.22 3lin s ASP 93 Cb -0.13 -2.52 0.47 0.00 -0.30 0.00 0.00 42.92 40.44 3lin s ASP 93 CO -0.10 -1.41 1.52 0.71 -0.17 0.00 0.00 175.17 175.72 3lin h THR 94 N 6.11 0.00 0.00 1.71 1.35 -1.58 -1.72 112.91 118.78 3lin h THR 94 Ca -0.25 -0.67 -0.32 0.00 -0.55 0.00 0.00 66.41 64.62 3lin h THR 94 Cb 1.06 1.49 -0.05 0.00 -1.73 0.00 0.00 68.15 68.92 3lin h THR 94 CO 1.16 0.00 -2.04 1.17 -0.25 0.00 0.00 175.52 175.56 3lin n LYS 95 N -2.46 0.57 0.00 4.72 4.81 -1.26 -4.71 118.16 119.83 3lin n LYS 95 Ca 0.04 0.26 0.08 0.00 -0.87 0.00 0.00 58.31 57.81 3lin n LYS 95 Cb 0.47 -1.48 -0.01 0.00 0.02 0.00 0.00 35.03 34.03 3lin n LYS 95 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 3lin n ASN 96 N -4.32 1.56 -3.92 3.14 3.02 -1.26 -4.99 115.26 108.48 3lin n ASN 96 Ca -0.42 -1.28 -0.31 0.00 -0.03 0.00 0.00 54.58 52.55 3lin n ASN 96 Cb 0.77 0.53 0.02 0.00 -0.61 0.00 0.00 39.78 40.49 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 -0.25 -4.77 -4.80 6.41 3.02 -1.23 -4.95 115.26 108.69 3lin n ASN 97 Ca 0.06 -0.78 -0.34 0.00 -0.03 0.00 0.00 54.58 53.50 3lin n ASN 97 Cb 0.34 -3.81 -0.01 0.00 -0.61 0.00 0.00 39.78 35.68 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 -3.29 2.95 -0.18 3.10 0.51 -1.26 -4.55 118.94 116.22 3lin s TRP 98 Ca 0.67 1.55 0.01 0.00 -2.12 0.00 0.00 56.10 56.21 3lin s TRP 98 Cb -0.34 -3.07 0.02 0.00 -0.81 0.00 0.00 33.47 29.27 3lin s TRP 98 CO 0.83 -1.02 -0.19 0.00 -0.51 0.00 0.00 176.95 176.05 3lin s ALA 99 N -2.12 2.31 -0.09 0.98 0.00 -1.26 -2.86 121.76 118.72 3lin s ALA 99 Ca 0.67 -1.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.38 3lin s ALA 99 Cb -0.17 -1.20 0.03 0.00 0.00 0.00 0.00 23.12 21.78 3lin s ALA 99 CO 0.27 -0.41 -0.01 0.42 0.00 0.00 0.00 175.76 176.02 3lin s ILE 100 N 1.29 0.54 -0.19 0.00 1.01 0.16 -1.31 121.20 122.71 3lin s ILE 100 Ca 0.04 -0.02 -0.23 0.00 0.00 0.00 0.00 60.65 60.44 3lin s ILE 100 Cb -0.13 -0.69 -0.02 0.00 0.01 0.00 0.00 42.46 41.63 3lin s ILE 100 CO -0.12 0.26 0.75 -0.63 0.00 0.00 0.00 174.94 175.19 3lin s ILE 101 N 1.90 4.93 0.24 2.92 1.01 0.95 -0.63 121.20 132.53 3lin s ILE 101 Ca 0.05 1.44 0.02 0.00 0.00 0.00 0.00 60.65 62.16 3lin s ILE 101 Cb -0.13 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.31 3lin s ILE 101 CO -0.06 0.05 0.20 0.61 0.00 0.00 0.00 174.94 175.74 3lin n GLY 102 N 3.64 2.79 0.28 6.18 0.00 -1.26 -1.90 105.19 114.93 3lin n GLY 102 Ca 0.02 -2.22 0.14 0.00 0.00 0.00 0.00 46.02 43.96 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 -0.22 1.61 3.08 -1.33 0.29 114.38 117.80 3lin h ARG 103 Ca -0.15 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 59.89 3lin h ARG 103 Cb 0.55 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 3lin h ARG 103 CO 0.23 0.04 0.07 0.38 -1.07 0.00 0.00 179.97 179.63 3lin h ASP 104 N 0.00 0.32 -0.17 7.04 2.03 -1.81 0.64 116.42 124.46 3lin h ASP 104 Ca -0.00 -0.20 -0.16 0.00 -0.73 0.00 0.00 57.03 55.94 3lin h ASP 104 Cb 0.12 -0.08 0.00 0.00 -0.83 0.00 0.00 39.33 38.54 3lin h ASP 104 CO 0.01 0.44 -0.53 0.00 -1.03 0.00 0.00 179.24 178.12 3lin h ALA 105 N 0.90 0.30 -0.59 4.15 0.00 -1.65 -3.12 119.26 119.24 3lin h ALA 105 Ca 0.07 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.45 3lin h ALA 105 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3lin h ALA 105 CO -0.00 0.50 0.28 -0.07 0.00 0.00 0.00 179.25 179.95 3lin h LEU 106 N 0.35 0.75 -0.53 0.00 3.38 -0.77 -2.23 115.31 116.26 3lin h LEU 106 Ca -0.02 -0.08 0.05 0.00 0.09 0.00 0.00 57.88 57.93 3lin h LEU 106 Cb 1.15 -0.19 -0.05 0.00 0.09 0.00 0.00 40.66 41.66 3lin h LEU 106 CO 0.11 0.65 0.27 -0.61 0.09 0.00 0.00 178.44 178.95 3lin h GLN 107 N 0.83 0.50 0.00 1.13 4.15 -0.94 0.61 115.11 121.40 3lin h GLN 107 Ca 0.21 -0.03 -0.03 0.00 0.77 0.00 0.00 58.65 59.56 3lin h GLN 107 Cb 0.10 -0.11 -0.00 0.00 0.21 0.00 0.00 27.48 27.67 3lin h GLN 107 CO -0.03 0.33 -0.16 1.96 -1.93 0.00 0.00 178.83 179.01 3lin h GLN 108 N 0.52 0.00 -0.49 1.69 4.20 -1.34 -1.56 115.11 118.12 3lin h GLN 108 Ca 0.24 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.95 3lin h GLN 108 Cb 0.15 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.93 3lin h GLN 108 CO -0.17 0.16 0.00 0.00 -0.67 0.00 0.00 178.83 178.15 3lin n GLN 110 N 0.31 -4.74 -2.04 0.00 6.02 -0.59 -4.95 117.38 111.39 3lin n GLN 110 Ca 0.26 0.53 -0.37 0.00 -0.01 0.00 0.00 57.00 57.42 3lin n GLN 110 Cb 1.12 -5.37 0.02 0.00 1.02 0.00 0.00 30.24 27.03 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 -3.23 2.79 0.04 1.08 0.00 0.21 -5.00 107.32 103.20 3lin s GLY 111 Ca 0.67 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.45 3lin s GLY 111 CO 0.82 1.51 -0.04 -1.34 0.00 0.00 0.00 173.10 174.05 3lin s VAL 112 N -1.51 0.23 -0.12 1.40 -7.23 -1.26 -4.74 120.40 107.17 3lin s VAL 112 Ca 0.71 -1.22 -0.13 0.00 -1.81 0.00 0.00 61.98 59.53 3lin s VAL 112 Cb -0.32 -0.71 -0.05 0.00 0.56 0.00 0.00 36.38 35.86 3lin s VAL 112 CO 0.37 -0.63 0.30 -0.76 -0.31 0.00 0.00 175.10 174.07 3lin s LEU 113 N -1.94 4.31 -0.15 1.32 1.43 -1.26 -5.09 118.68 117.29 3lin s LEU 113 Ca -0.08 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 53.64 3lin s LEU 113 Cb -0.04 -2.39 0.02 0.00 0.03 0.00 0.00 46.19 43.80 3lin s LEU 113 CO -0.03 0.18 -0.19 -0.47 0.23 0.00 0.00 176.35 176.07 3lin s TYR 114 N -0.03 2.57 -0.23 0.29 5.04 -1.26 -5.09 117.35 118.62 3lin s TYR 114 Ca 0.18 -1.41 0.02 0.00 -2.44 0.00 0.00 57.07 53.42 3lin s TYR 114 Cb -0.14 -1.78 0.04 0.00 0.35 0.00 0.00 41.96 40.43 3lin s TYR 114 CO 0.06 -0.69 -0.13 -0.51 -1.34 0.00 0.00 175.55 172.94 3lin s LEU 115 N 1.14 3.02 0.00 6.97 1.43 -1.26 -5.16 118.68 124.81 3lin s LEU 115 Ca -0.00 -1.10 0.00 0.00 -1.03 0.00 0.00 54.13 52.00 3lin s LEU 115 Cb -0.14 -1.55 0.00 0.00 0.03 0.00 0.00 46.19 44.53 3lin s LEU 115 CO -0.08 -0.13 0.35 -2.65 0.23 0.00 0.00 176.35 174.08