#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dur s VAL 2 N 0.00 3.88 -0.06 6.31 1.01 -1.26 -4.21 120.40 126.06 3dur s VAL 2 Ca 0.00 1.33 0.03 0.00 0.00 0.00 0.00 61.98 63.34 3dur s VAL 2 Cb 0.00 -3.85 0.01 0.00 0.00 0.00 0.00 36.38 32.54 3dur s VAL 2 CO 0.00 0.08 -0.15 -1.10 0.00 0.00 0.00 175.10 173.93 3dur s GLN 3 N 1.36 1.84 -0.08 2.72 -0.21 -0.63 -5.01 119.66 119.65 3dur s GLN 3 Ca 0.60 -0.52 0.01 0.00 0.02 0.00 0.00 55.36 55.47 3dur s GLN 3 Cb -0.31 -1.52 0.02 0.00 1.00 0.00 0.00 33.01 32.20 3dur s GLN 3 CO 0.28 0.12 -0.11 -0.51 -2.12 0.00 0.00 175.29 172.95 3dur s LEU 4 N 0.41 1.52 -0.21 2.90 1.43 -1.26 -1.09 118.68 122.37 3dur s LEU 4 Ca -0.11 -0.30 -0.01 0.00 -1.03 0.00 0.00 54.13 52.68 3dur s LEU 4 Cb -0.14 -0.83 0.06 0.00 0.03 0.00 0.00 46.19 45.31 3dur s LEU 4 CO 0.04 -0.01 -0.00 -0.69 0.23 0.00 0.00 176.35 175.91 3dur s VAL 5 N 0.97 0.96 0.46 -1.59 1.01 -0.44 -3.94 120.40 117.84 3dur s VAL 5 Ca -0.09 -0.84 -0.20 0.00 0.00 0.00 0.00 61.98 60.85 3dur s VAL 5 Cb -0.15 -1.36 -0.09 0.00 0.00 0.00 0.00 36.38 34.78 3dur s VAL 5 CO 0.00 -0.16 0.99 -1.61 0.00 0.00 0.00 175.10 174.33 3dur s GLU 6 N 1.66 4.01 0.24 2.72 8.01 -1.26 -1.26 118.70 132.81 3dur s GLU 6 Ca -0.03 1.20 -0.14 0.00 0.01 0.00 0.00 54.97 56.01 3dur s GLU 6 Cb -0.18 -2.14 0.00 0.00 -4.31 0.00 0.00 34.13 27.51 3dur s GLU 6 CO -0.07 -0.23 0.50 -1.54 0.01 0.00 0.00 175.26 173.93 3dur s SER 7 N -2.20 -0.13 0.00 -0.19 1.04 0.64 -4.73 113.70 108.13 3dur s SER 7 Ca 0.64 -0.82 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3dur s SER 7 Cb -0.12 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.59 3dur s SER 7 CO 0.18 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.87 3dur n GLY 8 N -0.38 0.70 3.82 7.32 0.00 -1.26 -1.29 105.19 114.11 3dur n GLY 8 Ca -0.03 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 3dur n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dur s GLY 9 N -1.35 1.61 0.00 -0.02 0.00 -1.26 -4.74 107.32 101.56 3dur s GLY 9 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 3dur s GLY 9 CO 0.00 -0.10 0.00 0.61 0.00 0.00 0.00 173.10 173.61 3dur n GLY 10 N -2.64 -0.67 3.80 0.20 0.00 -0.48 -4.92 105.19 100.48 3dur n GLY 10 Ca 0.09 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.55 3dur n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dur s LEU 11 N 0.00 4.53 -0.01 0.99 2.96 -1.26 -1.51 118.68 124.38 3dur s LEU 11 Ca 0.00 1.33 -0.02 0.00 -0.22 0.00 0.00 54.13 55.22 3dur s LEU 11 Cb 0.00 -2.98 -0.00 0.00 0.50 0.00 0.00 46.19 43.71 3dur s LEU 11 CO 0.00 0.25 0.04 -0.69 -1.32 0.00 0.00 176.35 174.63 3dur s VAL 12 N -1.03 0.04 0.39 1.68 1.01 -0.66 -4.95 120.40 116.88 3dur s VAL 12 Ca 0.31 -0.30 -0.25 0.00 0.00 0.00 0.00 61.98 61.74 3dur s VAL 12 Cb -0.20 -0.16 -0.09 0.00 0.00 0.00 0.00 36.38 35.93 3dur s VAL 12 CO 0.20 -0.16 1.13 -1.58 0.00 0.00 0.00 175.10 174.69 3dur s GLN 13 N -0.49 4.13 0.33 2.72 2.00 -1.26 -1.31 119.66 125.78 3dur s GLN 13 Ca -0.06 1.75 -0.28 0.00 -2.00 0.00 0.00 55.36 54.78 3dur s GLN 13 Cb -0.03 -2.69 -0.13 0.00 0.80 0.00 0.00 33.01 30.96 3dur s GLN 13 CO -0.00 -0.23 1.16 -2.30 -0.50 0.00 0.00 175.29 173.42 3dur n PRO 14 N 0.13 1.77 0.00 1.67 -0.02 -1.26 -1.54 135.00 135.75 3dur n PRO 14 Ca 0.04 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.14 3dur n PRO 14 Cb 0.47 -2.12 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 3dur n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dur n GLY 15 N 0.97 3.03 2.22 -1.23 0.00 0.20 -4.93 105.19 105.45 3dur n GLY 15 Ca 0.07 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.92 3dur n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dur n GLY 16 N -0.96 -1.53 3.22 -0.02 0.00 -0.59 -3.47 105.19 101.83 3dur n GLY 16 Ca 0.00 -1.66 -0.15 0.00 0.00 0.00 0.00 46.02 44.21 3dur n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dur s SER 17 N -3.75 1.73 -0.00 1.61 0.01 -1.26 -2.02 113.70 110.02 3dur s SER 17 Ca 0.44 -0.90 -0.06 0.00 1.31 0.00 0.00 55.95 56.74 3dur s SER 17 Cb -0.02 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.20 3dur s SER 17 CO 0.31 -0.26 0.12 -0.22 0.41 0.00 0.00 173.24 173.59 3dur s LEU 18 N -2.76 1.63 -0.22 2.44 2.96 -0.42 -4.98 118.68 117.32 3dur s LEU 18 Ca 0.11 -0.16 -0.04 0.00 -0.22 0.00 0.00 54.13 53.82 3dur s LEU 18 Cb -0.01 0.57 -0.01 0.00 0.50 0.00 0.00 46.19 47.24 3dur s LEU 18 CO 0.01 -0.31 -0.03 -0.60 -1.32 0.00 0.00 176.35 174.10 3dur s ARG 19 N -1.15 3.42 0.12 1.98 3.00 -1.26 -0.42 118.95 124.64 3dur s ARG 19 Ca -0.12 -0.60 -0.09 0.00 -1.00 0.00 0.00 55.73 53.91 3dur s ARG 19 Cb -0.07 -3.05 -0.06 0.00 0.00 0.00 0.00 34.95 31.78 3dur s ARG 19 CO 0.01 -0.19 0.43 -0.51 0.00 0.00 0.00 175.30 175.03 3dur s LEU 20 N 1.48 4.30 0.10 -0.88 1.02 0.09 -4.73 118.68 120.07 3dur s LEU 20 Ca 0.06 0.77 0.09 0.00 0.02 0.00 0.00 54.13 55.07 3dur s LEU 20 Cb -0.14 -3.19 -0.04 0.00 0.02 0.00 0.00 46.19 42.84 3dur s LEU 20 CO -0.02 0.10 -0.23 -0.44 0.02 0.00 0.00 176.35 175.78 3dur s SER 21 N -2.03 2.78 -0.27 2.29 0.01 -0.41 -1.09 113.70 114.97 3dur s SER 21 Ca 0.38 -0.69 -0.03 0.00 1.31 0.00 0.00 55.95 56.92 3dur s SER 21 Cb -0.13 -0.17 0.09 0.00 0.21 0.00 0.00 66.02 66.02 3dur s SER 21 CO 0.20 0.11 0.10 0.00 0.41 0.00 0.00 173.24 174.06 3dur s ALA 23 N 1.91 3.47 0.19 0.00 0.00 -0.39 -1.27 121.76 125.67 3dur s ALA 23 Ca 0.07 0.02 0.11 0.00 0.00 0.00 0.00 51.96 52.16 3dur s ALA 23 Cb -0.17 -2.75 -0.04 0.00 0.00 0.00 0.00 23.12 20.16 3dur s ALA 23 CO -0.26 0.14 -0.23 0.95 0.00 0.00 0.00 175.76 176.36 3dur s THR 24 N -0.07 2.44 0.21 0.00 -4.23 -0.69 -1.33 115.64 111.97 3dur s THR 24 Ca 0.31 -1.97 -0.18 0.00 -1.18 0.00 0.00 61.69 58.67 3dur s THR 24 Cb -0.18 -2.17 0.03 0.00 1.34 0.00 0.00 72.50 71.52 3dur s THR 24 CO 0.17 -0.10 0.57 -0.94 -0.54 0.00 0.00 174.62 173.77 3dur s SER 25 N -2.65 -0.27 0.00 3.99 1.04 -0.25 -4.87 113.70 110.68 3dur s SER 25 Ca 0.21 -0.51 0.00 0.00 0.48 0.00 0.00 55.95 56.13 3dur s SER 25 Cb -0.08 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.65 3dur s SER 25 CO 0.10 -1.12 0.00 0.61 0.98 0.00 0.00 173.24 173.82 3dur n GLY 26 N -0.37 0.72 3.70 7.32 0.00 -1.26 -1.61 105.19 113.69 3dur n GLY 26 Ca -0.09 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 3dur n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dur s PHE 27 N -2.47 -0.31 -0.96 1.61 -0.71 -1.26 -4.39 117.98 109.48 3dur s PHE 27 Ca 0.00 -0.06 -0.24 0.00 -1.04 0.00 0.00 56.93 55.59 3dur s PHE 27 Cb 0.00 0.66 0.03 0.00 -1.21 0.00 0.00 43.02 42.50 3dur s PHE 27 CO 0.00 -1.09 1.53 0.99 -1.34 0.00 0.00 175.22 175.31 3dur s THR 28 N -3.84 3.81 0.20 -4.49 2.01 -1.26 -4.88 115.64 107.18 3dur s THR 28 Ca 0.08 -0.56 -0.16 0.00 0.31 0.00 0.00 61.69 61.35 3dur s THR 28 Cb -0.04 -4.84 0.19 0.00 0.01 0.00 0.00 72.50 67.82 3dur s THR 28 CO -0.00 -1.74 1.36 0.33 -0.69 0.00 0.00 174.62 173.89 3dur n PHE 29 N 9.91 -0.01 0.31 4.92 7.35 -1.26 -1.38 117.46 137.29 3dur n PHE 29 Ca 0.31 1.09 0.20 0.00 -0.76 0.00 0.00 57.45 58.29 3dur n PHE 29 Cb 0.50 -0.81 0.95 0.00 0.35 0.00 0.00 39.48 40.47 3dur n PHE 29 CO 0.00 0.00 0.00 1.79 -0.76 0.00 0.00 176.76 177.79 3dur h THR 30 N 0.00 0.02 0.00 -2.13 1.35 -1.94 -2.13 112.91 108.08 3dur h THR 30 Ca 0.29 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.89 3dur h THR 30 Cb 0.51 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 3dur h THR 30 CO -0.87 0.00 0.00 0.44 -0.25 0.00 0.00 175.52 174.84 3dur h ASP 31 N 0.00 0.00 -3.66 5.36 3.32 -1.64 -1.47 116.42 118.33 3dur h ASP 31 Ca -0.00 0.00 -0.67 0.00 0.02 0.00 0.00 57.03 56.38 3dur h ASP 31 Cb 0.26 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 39.60 3dur h ASP 31 CO 0.00 0.00 -0.85 -0.31 -1.72 0.00 0.00 179.24 176.36 3dur s TYR 32 N -3.61 2.29 0.80 4.55 2.02 -0.80 -4.82 117.35 117.78 3dur s TYR 32 Ca -0.00 -0.37 -0.11 0.00 -0.37 0.00 0.00 57.07 56.22 3dur s TYR 32 Cb 0.09 -1.20 0.07 0.00 -0.40 0.00 0.00 41.96 40.52 3dur s TYR 32 CO 0.37 0.39 1.09 0.71 -1.57 0.00 0.00 175.55 176.54 3dur s TYR 33 N -1.28 2.55 -0.04 2.71 1.51 -0.65 -4.01 117.35 118.13 3dur s TYR 33 Ca 0.16 1.44 0.02 0.00 -1.01 0.00 0.00 57.07 57.68 3dur s TYR 33 Cb -0.09 -3.07 0.01 0.00 -0.11 0.00 0.00 41.96 38.70 3dur s TYR 33 CO 0.07 -1.93 -0.10 -1.64 -1.11 0.00 0.00 175.55 170.84 3dur s MET 34 N -4.93 1.27 0.20 -0.62 -1.94 -0.46 -1.43 119.30 111.37 3dur s MET 34 Ca 0.62 -0.33 0.08 0.00 -1.71 0.00 0.00 55.69 54.34 3dur s MET 34 Cb -0.17 -1.12 -0.04 0.00 2.01 0.00 0.00 34.83 35.51 3dur s MET 34 CO 0.56 0.06 0.01 -1.12 -0.01 0.00 0.00 175.02 174.52 3dur s SER 35 N 0.48 4.75 -0.08 3.03 0.01 0.88 -1.18 113.70 121.59 3dur s SER 35 Ca -0.09 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.77 3dur s SER 35 Cb -0.13 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.10 3dur s SER 35 CO 0.02 0.07 -0.22 0.26 0.41 0.00 0.00 173.24 173.77 3dur s TRP 36 N -1.86 2.54 0.05 2.43 0.52 -0.60 -0.69 118.94 121.34 3dur s TRP 36 Ca 0.28 -0.75 0.03 0.00 0.02 0.00 0.00 56.10 55.68 3dur s TRP 36 Cb -0.09 -1.66 -0.03 0.00 -1.15 0.00 0.00 33.47 30.54 3dur s TRP 36 CO 0.19 -0.23 -0.09 0.08 0.02 0.00 0.00 176.95 176.91 3dur s VAL 37 N -0.01 0.69 0.08 4.03 1.01 -0.37 -1.04 120.40 124.78 3dur s VAL 37 Ca -0.07 -1.20 0.02 0.00 0.00 0.00 0.00 61.98 60.73 3dur s VAL 37 Cb -0.15 -0.80 -0.04 0.00 0.00 0.00 0.00 36.38 35.40 3dur s VAL 37 CO 0.05 -0.38 -0.07 0.00 0.00 0.00 0.00 175.10 174.69 3dur s ARG 38 N -1.79 0.73 -0.24 2.72 1.70 -0.55 0.20 118.95 121.73 3dur s ARG 38 Ca -0.06 -1.11 -0.01 0.00 -0.47 0.00 0.00 55.73 54.07 3dur s ARG 38 Cb -0.09 -0.27 0.07 0.00 -0.57 0.00 0.00 34.95 34.09 3dur s ARG 38 CO 0.01 0.02 0.02 -1.14 -1.08 0.00 0.00 175.30 173.12 3dur s GLN 39 N -2.93 0.99 0.49 3.89 0.74 -0.49 -0.48 119.66 121.87 3dur s GLN 39 Ca 0.03 -0.78 -0.20 0.00 0.05 0.00 0.00 55.36 54.46 3dur s GLN 39 Cb -0.01 -2.27 -0.08 0.00 1.10 0.00 0.00 33.01 31.76 3dur s GLN 39 CO -0.02 -0.71 1.06 -2.14 -0.55 0.00 0.00 175.29 172.93 3dur s PRO 40 N 1.64 3.73 -0.04 1.67 0.02 -1.26 -1.11 135.00 139.64 3dur s PRO 40 Ca 0.00 1.43 -0.38 0.00 0.02 0.00 0.00 61.00 62.07 3dur s PRO 40 Cb -0.18 -2.10 -0.17 0.00 0.02 0.00 0.00 34.50 32.07 3dur s PRO 40 CO -0.11 -0.50 1.43 -2.30 -0.33 0.00 0.00 177.00 175.19 3dur n PRO 41 N -0.98 1.01 -0.90 5.54 -0.02 -1.26 -0.93 135.00 137.45 3dur n PRO 41 Ca 0.09 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.94 3dur n PRO 41 Cb 0.52 -2.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3dur n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dur n GLY 42 N 2.92 0.53 3.46 -1.23 0.00 -1.26 -4.99 105.19 104.62 3dur n GLY 42 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.01 3dur n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dur s LYS 43 N -0.46 1.63 0.70 1.61 1.02 -0.11 -5.13 119.74 119.00 3dur s LYS 43 Ca 0.00 -1.83 -0.15 0.00 0.02 0.00 0.00 55.97 54.01 3dur s LYS 43 Cb 0.00 -1.29 0.02 0.00 -0.52 0.00 0.00 37.83 36.04 3dur s LYS 43 CO 0.00 0.06 1.17 0.00 -0.92 0.00 0.00 175.35 175.66 3dur s ALA 44 N -2.91 2.25 0.54 5.17 0.00 -1.26 -4.49 121.76 121.06 3dur s ALA 44 Ca 0.30 0.75 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 3dur s ALA 44 Cb 0.04 -3.41 -0.06 0.00 0.00 0.00 0.00 23.12 19.68 3dur s ALA 44 CO 0.13 -1.64 1.06 1.28 0.00 0.00 0.00 175.76 176.59 3dur n LEU 45 N -2.60 3.77 -3.66 0.00 4.77 -1.26 -4.44 117.00 113.58 3dur n LEU 45 Ca 0.12 0.91 -0.23 0.00 -0.03 0.00 0.00 56.01 56.78 3dur n LEU 45 Cb 0.51 -1.42 -0.18 0.00 -2.33 0.00 0.00 43.42 40.00 3dur n LEU 45 CO 0.47 -1.47 -0.34 -0.70 -1.33 0.00 0.00 177.39 174.02 3dur s GLU 46 N -2.56 0.06 0.09 3.23 2.12 0.36 -4.97 118.70 117.03 3dur s GLU 46 Ca 0.71 0.17 -0.31 0.00 0.36 0.00 0.00 54.97 55.90 3dur s GLU 46 Cb -0.45 -1.07 -0.08 0.00 0.26 0.00 0.00 34.13 32.79 3dur s GLU 46 CO 0.51 -0.46 1.51 -0.46 -0.54 0.00 0.00 175.26 175.82 3dur s TRP 47 N 2.13 2.89 -0.24 5.30 -0.00 -1.26 -1.48 118.94 126.29 3dur s TRP 47 Ca 0.04 0.67 -0.00 0.00 -0.00 0.00 0.00 56.10 56.80 3dur s TRP 47 Cb -0.14 -3.82 -0.14 0.00 -0.00 0.00 0.00 33.47 29.37 3dur s TRP 47 CO -0.05 -3.07 -0.22 1.28 -0.00 0.00 0.00 176.95 174.89 3dur n LEU 48 N 4.69 2.79 0.00 5.86 4.77 -0.21 -4.54 117.00 130.35 3dur n LEU 48 Ca 0.14 -0.06 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 3dur n LEU 48 Cb 0.41 -0.80 0.00 0.00 -2.33 0.00 0.00 43.42 40.70 3dur n LEU 48 CO 0.60 0.83 0.00 0.61 -1.33 0.00 0.00 177.39 178.11 3dur n GLY 49 N 2.24 -0.35 3.23 -0.72 0.00 -1.16 -0.28 105.19 108.15 3dur n GLY 49 Ca -0.42 -0.94 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 3dur n GLY 49 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dur s PHE 50 N -2.00 0.69 -0.08 1.61 -0.12 -0.61 -1.56 117.98 115.91 3dur s PHE 50 Ca 0.00 -1.05 0.04 0.00 -0.05 0.00 0.00 56.93 55.87 3dur s PHE 50 Cb 0.00 -0.31 -0.00 0.00 -0.63 0.00 0.00 43.02 42.08 3dur s PHE 50 CO 0.00 -0.61 -0.22 -1.50 -0.05 0.00 0.00 175.22 172.83 3dur s ILE 51 N -4.02 1.90 0.92 -4.49 2.07 -0.33 -1.79 121.20 115.47 3dur s ILE 51 Ca 0.22 -0.95 -0.15 0.00 -1.41 0.00 0.00 60.65 58.36 3dur s ILE 51 Cb 0.06 -1.64 0.21 0.00 0.13 0.00 0.00 42.46 41.22 3dur s ILE 51 CO 0.02 0.53 1.26 0.54 -1.91 0.00 0.00 174.94 175.37 3dur n ARG 52 N 3.35 -1.17 -1.70 3.50 1.74 0.53 -1.36 116.66 121.55 3dur n ARG 52 Ca -0.19 -2.03 -0.18 0.00 -0.77 0.00 0.00 57.85 54.69 3dur n ARG 52 Cb 0.53 -1.27 0.11 0.00 -1.02 0.00 0.00 32.46 30.80 3dur n ARG 52 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3dur n ASN 52 N -3.76 0.58 -0.23 0.55 6.94 -1.26 -3.93 115.26 114.15 3dur n ASN 52 Ca 0.16 -1.60 -0.01 0.00 -0.02 0.00 0.00 54.58 53.11 3dur n ASN 52 Cb 0.56 -0.56 0.11 0.00 -2.36 0.00 0.00 39.78 37.52 3dur n ASN 52 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3dur h LYS 52 N 0.00 0.63 0.00 -3.83 3.64 -1.57 -0.13 116.57 115.31 3dur h LYS 52 Ca -0.26 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.07 3dur h LYS 52 Cb 0.84 -0.14 -0.00 0.00 -0.41 0.00 0.00 32.23 32.52 3dur h LYS 52 CO 0.23 0.42 -0.08 0.00 -2.27 0.00 0.00 179.45 177.75 3dur h ALA 52 N 1.37 1.85 -0.09 5.00 0.00 -1.93 -0.49 119.26 124.96 3dur h ALA 52 Ca 0.31 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dur h ALA 52 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3dur h ALA 52 CO -0.21 0.10 0.00 1.63 0.00 0.00 0.00 179.25 180.77 3dur n LYS 52 N -4.42 1.97 -1.45 0.00 4.76 -1.03 -4.97 118.16 113.02 3dur n LYS 52 Ca -0.03 -1.43 -0.03 0.00 -2.87 0.00 0.00 58.31 53.95 3dur n LYS 52 Cb 0.16 -1.46 -0.01 0.00 -1.84 0.00 0.00 35.03 31.87 3dur n LYS 52 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dur n GLY 52 N 1.26 0.49 2.65 0.72 0.00 -0.19 -4.15 105.19 105.96 3dur n GLY 52 Ca 0.17 -0.86 -0.19 0.00 0.00 0.00 0.00 46.02 45.14 3dur n GLY 52 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dur n TYR 53 N -3.31 -1.43 -1.41 1.61 4.01 -0.11 -4.97 117.16 111.55 3dur n TYR 53 Ca -0.04 0.16 -0.29 0.00 -0.16 0.00 0.00 57.90 57.58 3dur n TYR 53 Cb 0.26 -3.54 0.14 0.00 -0.31 0.00 0.00 39.34 35.90 3dur n TYR 53 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3dur s THR 54 N -2.91 2.18 0.18 -0.72 -4.23 -1.26 -4.51 115.64 104.37 3dur s THR 54 Ca 0.11 0.06 0.08 0.00 -1.18 0.00 0.00 61.69 60.76 3dur s THR 54 Cb -0.05 -2.72 -0.04 0.00 1.34 0.00 0.00 72.50 71.03 3dur s THR 54 CO 0.13 -0.08 -0.17 0.42 -0.54 0.00 0.00 174.62 174.38 3dur s THR 55 N -3.15 1.80 0.06 3.99 -4.23 -1.26 -0.34 115.64 112.50 3dur s THR 55 Ca 0.64 -1.99 -0.06 0.00 -1.18 0.00 0.00 61.69 59.10 3dur s THR 55 Cb -0.16 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.78 3dur s THR 55 CO 0.55 -0.38 0.11 -1.61 -0.54 0.00 0.00 174.62 172.75 3dur s GLU 56 N -2.99 0.69 0.03 3.99 0.41 -0.74 -5.01 118.70 115.08 3dur s GLU 56 Ca 0.17 -0.91 -0.03 0.00 -0.41 0.00 0.00 54.97 53.80 3dur s GLU 56 Cb -0.05 0.27 -0.02 0.00 -1.78 0.00 0.00 34.13 32.56 3dur s GLU 56 CO 0.07 -0.19 0.04 0.71 -0.49 0.00 0.00 175.26 175.40 3dur s TYR 57 N -3.30 0.25 0.54 1.61 2.02 -1.26 -1.57 117.35 115.64 3dur s TYR 57 Ca 0.01 -0.56 -0.22 0.00 -0.37 0.00 0.00 57.07 55.93 3dur s TYR 57 Cb 0.03 -0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.35 3dur s TYR 57 CO -0.08 -0.30 1.36 0.43 -1.57 0.00 0.00 175.55 175.39 3dur n SER 58 N 1.00 2.72 -0.19 2.29 7.64 0.61 -4.83 113.62 122.87 3dur n SER 58 Ca -0.20 0.99 0.17 0.00 1.01 0.00 0.00 58.87 60.84 3dur n SER 58 Cb 0.57 -1.58 0.52 0.00 -1.01 0.00 0.00 64.21 62.72 3dur n SER 58 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dur h ALA 59 N 1.48 2.18 0.00 -0.43 0.00 -1.93 0.64 119.26 121.20 3dur h ALA 59 Ca -0.51 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 3dur h ALA 59 Cb 1.30 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 3dur h ALA 59 CO 0.57 -0.41 -0.01 0.66 0.00 0.00 0.00 179.25 180.05 3dur h SER 60 N 0.39 0.00 0.00 0.00 4.64 -1.94 -3.23 113.55 113.40 3dur h SER 60 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 3dur h SER 60 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 3dur h SER 60 CO -0.13 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.17 3dur n VAL 61 N -3.15 0.00 -1.77 0.95 0.24 -0.77 -5.00 118.33 108.83 3dur n VAL 61 Ca -0.01 -0.32 -0.42 0.00 -2.04 0.00 0.00 64.34 61.55 3dur n VAL 61 Cb 0.19 1.10 -0.02 0.00 -1.47 0.00 0.00 33.84 33.64 3dur n VAL 61 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3dur s LYS 62 N -0.47 4.12 0.00 7.34 2.20 0.15 -0.08 119.74 133.00 3dur s LYS 62 Ca 0.00 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.19 3dur s LYS 62 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 37.83 33.29 3dur s LYS 62 CO 0.00 -0.65 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 3dur n GLY 63 N 2.40 1.55 0.00 5.54 0.00 -1.26 -4.76 105.19 108.66 3dur n GLY 63 Ca 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.11 3dur n GLY 63 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dur n ARG 64 N -2.00 0.47 -4.17 1.61 1.74 0.88 -5.03 116.66 110.16 3dur n ARG 64 Ca 0.00 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 3dur n ARG 64 Cb 0.00 -1.00 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 3dur n ARG 64 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3dur s PHE 65 N -2.00 2.91 -0.03 -1.55 0.40 -0.54 -1.88 117.98 115.29 3dur s PHE 65 Ca -0.00 -0.09 -0.01 0.00 -0.60 0.00 0.00 56.93 56.23 3dur s PHE 65 Cb 0.00 -1.45 0.02 0.00 0.51 0.00 0.00 43.02 42.10 3dur s PHE 65 CO 0.00 0.49 0.05 0.45 0.70 0.00 0.00 175.22 176.92 3dur s SER 66 N -2.66 -0.01 0.01 1.36 0.15 -0.08 -4.79 113.70 107.68 3dur s SER 66 Ca 0.26 0.10 0.03 0.00 0.70 0.00 0.00 55.95 57.05 3dur s SER 66 Cb -0.10 0.04 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 3dur s SER 66 CO 0.18 -0.08 -0.05 -0.63 1.20 0.00 0.00 173.24 173.87 3dur s ILE 67 N 0.61 3.79 0.25 6.45 1.01 -1.26 -0.17 121.20 131.87 3dur s ILE 67 Ca -0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 60.65 59.75 3dur s ILE 67 Cb -0.07 -2.67 -0.01 0.00 0.01 0.00 0.00 42.46 39.73 3dur s ILE 67 CO -0.02 0.38 0.44 -0.94 0.00 0.00 0.00 174.94 174.79 3dur s SER 68 N -1.49 -0.02 -0.01 3.58 1.04 -1.06 -4.99 113.70 110.75 3dur s SER 68 Ca 0.18 -1.01 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 3dur s SER 68 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.57 3dur s SER 68 CO 0.09 -1.11 0.09 0.00 0.98 0.00 0.00 173.24 173.28 3dur s ARG 69 N -3.98 0.32 -0.53 4.02 1.70 -1.26 -0.89 118.95 118.32 3dur s ARG 69 Ca 0.25 -0.25 -0.10 0.00 -0.47 0.00 0.00 55.73 55.16 3dur s ARG 69 Cb 0.00 0.13 0.14 0.00 -0.57 0.00 0.00 34.95 34.65 3dur s ARG 69 CO 0.10 -0.07 0.42 0.34 -1.08 0.00 0.00 175.30 175.01 3dur s ASP 70 N -0.89 5.83 0.51 -2.89 -1.08 0.02 -4.97 116.67 113.20 3dur s ASP 70 Ca -0.10 -2.07 0.27 0.00 -0.52 0.00 0.00 52.55 50.14 3dur s ASP 70 Cb -0.06 -2.04 1.33 0.00 -1.46 0.00 0.00 42.92 40.69 3dur s ASP 70 CO 0.01 -0.67 2.01 0.78 0.52 0.00 0.00 175.17 177.81 3dur h ASN 71 N 8.30 0.00 0.49 -0.34 -0.26 -1.97 -1.41 115.58 120.39 3dur h ASN 71 Ca -0.17 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.56 3dur h ASN 71 Cb 1.06 0.00 -0.00 0.00 -1.06 0.00 0.00 38.32 38.32 3dur h ASN 71 CO 0.86 0.14 -0.05 0.77 -1.06 0.00 0.00 177.43 178.09 3dur h SER 72 N 0.00 0.00 -0.01 5.81 4.64 -1.96 -2.95 113.55 119.08 3dur h SER 72 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3dur h SER 72 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3dur h SER 72 CO 0.02 0.05 -0.30 0.00 -0.87 0.00 0.00 176.83 175.72 3dur n GLN 73 N -3.28 2.40 -3.61 4.77 6.02 -0.80 -5.00 117.38 117.89 3dur n GLN 73 Ca -0.01 -0.47 -0.24 0.00 -0.01 0.00 0.00 57.00 56.27 3dur n GLN 73 Cb 0.22 -1.09 0.08 0.00 1.02 0.00 0.00 30.24 30.46 3dur n GLN 73 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dur n SER 74 N -0.50 -5.66 -4.27 1.08 7.64 -0.60 -4.75 113.62 106.57 3dur n SER 74 Ca 0.04 -0.58 -0.31 0.00 1.01 0.00 0.00 58.87 59.04 3dur n SER 74 Cb 0.22 -4.93 -0.16 0.00 -1.01 0.00 0.00 64.21 58.32 3dur n SER 74 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dur s ILE 75 N -3.33 1.99 0.01 0.44 1.01 -1.00 -1.71 121.20 118.61 3dur s ILE 75 Ca 0.52 -1.04 0.02 0.00 0.00 0.00 0.00 60.65 60.14 3dur s ILE 75 Cb -0.23 -1.68 -0.04 0.00 0.01 0.00 0.00 42.46 40.53 3dur s ILE 75 CO 0.74 0.56 -0.01 -0.22 0.00 0.00 0.00 174.94 176.01 3dur s LEU 76 N -0.26 3.47 0.09 2.97 2.96 -0.40 -0.80 118.68 126.71 3dur s LEU 76 Ca -0.00 -0.04 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 3dur s LEU 76 Cb -0.13 -2.01 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 3dur s LEU 76 CO 0.02 0.27 -0.20 -0.31 -1.32 0.00 0.00 176.35 174.81 3dur s TYR 77 N -1.09 1.76 -0.24 5.38 2.02 -0.07 -0.38 117.35 124.72 3dur s TYR 77 Ca 0.20 -0.41 0.02 0.00 -0.37 0.00 0.00 57.07 56.50 3dur s TYR 77 Cb -0.11 -0.98 0.06 0.00 -0.40 0.00 0.00 41.96 40.52 3dur s TYR 77 CO 0.11 0.18 -0.09 -1.17 -1.57 0.00 0.00 175.55 173.00 3dur s LEU 78 N -1.77 2.90 -0.34 -1.29 2.96 -0.25 -2.56 118.68 118.33 3dur s LEU 78 Ca 0.06 -1.21 -0.22 0.00 -0.22 0.00 0.00 54.13 52.54 3dur s LEU 78 Cb -0.10 -1.37 0.00 0.00 0.50 0.00 0.00 46.19 45.22 3dur s LEU 78 CO 0.04 -0.19 0.72 -1.58 -1.32 0.00 0.00 176.35 174.02 3dur s GLN 79 N 1.25 3.80 -0.22 1.98 2.00 0.76 -0.73 119.66 128.51 3dur s GLN 79 Ca -0.06 0.30 -0.07 0.00 -2.00 0.00 0.00 55.36 53.53 3dur s GLN 79 Cb -0.19 -3.78 -0.03 0.00 0.80 0.00 0.00 33.01 29.81 3dur s GLN 79 CO -0.06 -0.74 0.07 -1.64 -0.50 0.00 0.00 175.29 172.41 3dur s MET 80 N 2.90 3.79 0.23 1.67 -1.94 0.44 -0.90 119.30 125.49 3dur s MET 80 Ca 0.29 -0.42 0.07 0.00 -1.71 0.00 0.00 55.69 53.91 3dur s MET 80 Cb -0.14 -3.27 -0.05 0.00 2.01 0.00 0.00 34.83 33.38 3dur s MET 80 CO 0.15 0.01 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.27 3dur s ASN 80 N 1.08 2.57 -1.32 3.03 0.01 -0.79 -1.30 114.94 118.22 3dur s ASN 80 Ca 0.04 -1.10 -0.02 0.00 -0.71 0.00 0.00 52.86 51.07 3dur s ASN 80 Cb -0.14 -0.13 -0.00 0.00 0.41 0.00 0.00 41.25 41.38 3dur s ASN 80 CO 0.03 -0.26 0.59 1.07 -1.51 0.00 0.00 177.10 177.02 3dur n THR 81 N -0.45 -4.12 -2.40 1.60 5.66 -1.01 -4.68 114.28 108.87 3dur n THR 81 Ca -0.07 -0.57 -0.35 0.00 -3.05 0.00 0.00 64.05 60.01 3dur n THR 81 Cb 0.62 -3.42 -0.02 0.00 -1.55 0.00 0.00 70.33 65.96 3dur n THR 81 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3dur s LEU 82 N -6.75 3.91 0.25 1.09 1.43 -0.86 -4.69 118.68 113.06 3dur s LEU 82 Ca 0.06 2.11 0.04 0.00 -1.03 0.00 0.00 54.13 55.31 3dur s LEU 82 Cb -0.02 -4.42 -0.05 0.00 0.03 0.00 0.00 46.19 41.72 3dur s LEU 82 CO 0.85 -0.88 -0.00 -0.13 0.23 0.00 0.00 176.35 176.42 3dur s ARG 83 N -2.98 1.40 0.30 1.70 0.52 -1.26 0.60 118.95 119.23 3dur s ARG 83 Ca 0.66 -1.72 0.05 0.00 -0.52 0.00 0.00 55.73 54.20 3dur s ARG 83 Cb -0.22 -0.71 0.80 0.00 0.52 0.00 0.00 34.95 35.34 3dur s ARG 83 CO 0.27 -0.09 1.65 0.00 0.02 0.00 0.00 175.30 177.15 3dur h ALA 84 N 2.40 1.45 0.00 2.13 0.00 -1.98 0.21 119.26 123.47 3dur h ALA 84 Ca -0.39 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3dur h ALA 84 Cb 1.23 0.27 0.00 0.00 0.00 0.00 0.00 17.79 19.29 3dur h ALA 84 CO 0.65 -0.48 0.00 1.05 0.00 0.00 0.00 179.25 180.47 3dur h GLU 85 N 0.25 0.00 -0.00 0.00 4.11 -1.96 -1.00 114.58 115.97 3dur h GLU 85 Ca 0.60 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.03 3dur h GLU 85 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dur h GLU 85 CO -0.64 0.00 -0.00 -0.25 0.07 0.00 0.00 179.01 178.19 3dur n ASP 86 N -2.81 0.14 -4.69 3.06 9.92 0.06 -4.83 116.55 117.40 3dur n ASP 86 Ca -0.02 -0.90 -0.42 0.00 -0.53 0.00 0.00 54.79 52.92 3dur n ASP 86 Cb 0.08 -0.04 -0.03 0.00 -0.64 0.00 0.00 41.12 40.49 3dur n ASP 86 CO 0.00 0.00 0.00 -0.44 0.13 0.00 0.00 177.20 176.89 3dur s SER 87 N -2.10 6.70 -0.05 -2.24 0.01 -0.38 -4.86 113.70 110.78 3dur s SER 87 Ca 0.44 2.32 -0.31 0.00 1.31 0.00 0.00 55.95 59.70 3dur s SER 87 Cb 0.22 -2.56 0.13 0.00 0.21 0.00 0.00 66.02 64.02 3dur s SER 87 CO 0.38 -0.83 1.36 0.00 0.41 0.00 0.00 173.24 174.57 3dur s ALA 88 N 2.69 -2.38 -0.17 1.44 0.00 -0.51 -4.35 121.76 118.47 3dur s ALA 88 Ca 0.70 0.79 -0.17 0.00 0.00 0.00 0.00 51.96 53.28 3dur s ALA 88 Cb -0.36 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.04 3dur s ALA 88 CO 0.30 -1.06 0.43 0.99 0.00 0.00 0.00 175.76 176.42 3dur s THR 89 N -2.22 5.19 -0.17 0.00 2.01 -0.27 -0.87 115.64 119.31 3dur s THR 89 Ca 0.15 0.81 -0.09 0.00 0.31 0.00 0.00 61.69 62.88 3dur s THR 89 Cb 0.06 -3.77 -0.05 0.00 0.01 0.00 0.00 72.50 68.76 3dur s THR 89 CO -0.05 0.28 0.13 -0.31 -0.69 0.00 0.00 174.62 173.98 3dur s TYR 90 N 1.03 3.47 0.00 4.92 1.51 0.61 -1.39 117.35 127.50 3dur s TYR 90 Ca 0.22 0.39 0.07 0.00 -1.01 0.00 0.00 57.07 56.73 3dur s TYR 90 Cb -0.15 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.61 3dur s TYR 90 CO 0.08 0.45 -0.20 0.71 -1.11 0.00 0.00 175.55 175.48 3dur s TYR 91 N -0.17 1.82 0.16 2.71 2.02 0.13 -1.06 117.35 122.95 3dur s TYR 91 Ca 0.10 -0.35 -0.02 0.00 -0.37 0.00 0.00 57.07 56.43 3dur s TYR 91 Cb -0.11 -1.15 -0.05 0.00 -0.40 0.00 0.00 41.96 40.25 3dur s TYR 91 CO 0.00 0.00 0.35 0.00 -1.57 0.00 0.00 175.55 174.34 3dur s ALA 93 N -1.73 -0.79 0.26 0.00 0.00 0.14 -1.60 121.76 118.04 3dur s ALA 93 Ca 0.39 1.07 -0.29 0.00 0.00 0.00 0.00 51.96 53.12 3dur s ALA 93 Cb -0.12 -0.64 -0.09 0.00 0.00 0.00 0.00 23.12 22.27 3dur s ALA 93 CO 0.27 -0.19 1.18 0.50 0.00 0.00 0.00 175.76 177.52 3dur s ARG 94 N 0.71 4.53 0.36 0.00 3.52 0.17 -0.08 118.95 128.16 3dur s ARG 94 Ca -0.04 1.92 -0.03 0.00 -0.13 0.00 0.00 55.73 57.44 3dur s ARG 94 Cb -0.06 -3.18 0.01 0.00 -1.56 0.00 0.00 34.95 30.17 3dur s ARG 94 CO -0.05 0.03 0.53 0.34 -0.81 0.00 0.00 175.30 175.35 3dur s ASP 95 N -0.47 0.91 0.00 -2.12 -1.08 -0.52 -2.07 116.67 111.33 3dur s ASP 95 Ca 0.48 -1.50 0.00 0.00 -0.52 0.00 0.00 52.55 51.02 3dur s ASP 95 Cb -0.34 0.71 0.00 0.00 -1.46 0.00 0.00 42.92 41.83 3dur s ASP 95 CO 0.42 -1.39 0.00 0.61 0.52 0.00 0.00 175.17 175.33 3dur n GLY 96 N -0.59 -0.00 4.96 2.66 0.00 -1.26 -1.64 105.19 109.32 3dur n GLY 96 Ca -0.00 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.86 3dur n GLY 96 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dur n TYR 97 N 0.00 0.00 0.38 1.61 4.01 -1.26 -1.63 117.16 120.27 3dur n TYR 97 Ca 0.00 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.78 3dur n TYR 97 Cb 0.00 0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.04 3dur n TYR 97 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dur n ALA 98 N 0.00 2.65 -3.88 -0.72 0.00 -1.26 -5.00 120.51 112.30 3dur n ALA 98 Ca 0.00 -0.47 -0.28 0.00 0.00 0.00 0.00 53.44 52.69 3dur n ALA 98 Cb 0.00 -0.30 0.02 0.00 0.00 0.00 0.00 19.45 19.17 3dur n ALA 98 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3dur n ASP 99 N 0.03 -3.61 -3.58 0.00 8.00 -0.65 -4.94 116.55 111.79 3dur n ASP 99 Ca 0.04 -0.81 -0.14 0.00 0.71 0.00 0.00 54.79 54.59 3dur n ASP 99 Cb 0.20 -3.84 -0.05 0.00 -0.02 0.00 0.00 41.12 37.41 3dur n ASP 99 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dur s ALA 100 N -3.43 -1.30 -0.51 2.24 0.00 -1.25 -5.00 121.76 112.51 3dur s ALA 100 Ca 0.47 0.58 -0.19 0.00 0.00 0.00 0.00 51.96 52.82 3dur s ALA 100 Cb -0.24 0.37 0.06 0.00 0.00 0.00 0.00 23.12 23.32 3dur s ALA 100 CO 0.83 -0.50 0.60 -1.64 0.00 0.00 0.00 175.76 175.06 3dur s MET 100 N -2.42 3.10 0.09 0.00 -1.94 -1.26 -4.15 119.30 112.73 3dur s MET 100 Ca -0.05 -0.97 0.22 0.00 -1.71 0.00 0.00 55.69 53.18 3dur s MET 100 Cb -0.01 -4.11 -0.11 0.00 2.01 0.00 0.00 34.83 32.61 3dur s MET 100 CO -0.02 -1.21 0.84 -0.40 -0.01 0.00 0.00 175.02 174.22 3dur n ASP 100 N 6.06 0.51 -3.81 3.03 3.85 -0.88 -4.87 116.55 120.44 3dur n ASP 100 Ca -0.07 0.09 -0.13 0.00 -0.71 0.00 0.00 54.79 53.96 3dur n ASP 100 Cb 0.45 1.06 -0.14 0.00 -1.35 0.00 0.00 41.12 41.15 3dur n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3dur s TYR 100 N -3.38 -0.11 0.03 2.11 2.02 -1.26 -5.02 117.35 111.73 3dur s TYR 100 Ca -0.02 0.31 0.05 0.00 -0.37 0.00 0.00 57.07 57.04 3dur s TYR 100 Cb 0.12 -0.02 -0.02 0.00 -0.40 0.00 0.00 41.96 41.64 3dur s TYR 100 CO 0.83 -0.09 -0.14 -1.58 -1.57 0.00 0.00 175.55 173.01 3dur s TRP 101 N 0.44 1.19 1.11 2.71 0.52 -1.26 -0.66 118.94 122.99 3dur s TRP 101 Ca -0.03 -0.32 -0.18 0.00 0.02 0.00 0.00 56.10 55.59 3dur s TRP 101 Cb -0.05 -0.72 0.25 0.00 -1.15 0.00 0.00 33.47 31.80 3dur s TRP 101 CO -0.02 0.02 1.21 0.20 0.02 0.00 0.00 176.95 178.38 3dur s GLY 102 N -0.92 1.68 0.38 0.98 0.00 -0.62 -4.75 107.32 104.06 3dur s GLY 102 Ca 0.02 -1.10 0.26 0.00 0.00 0.00 0.00 44.72 43.91 3dur s GLY 102 CO 0.01 -0.25 1.76 0.06 0.00 0.00 0.00 173.10 174.68 3dur h GLN 103 N -2.20 0.00 0.00 2.90 -0.00 -1.92 -3.46 115.11 110.44 3dur h GLN 103 Ca -0.44 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.21 3dur h GLN 103 Cb 1.26 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.74 3dur h GLN 103 CO 0.34 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.58 3dur n GLY 104 N 0.71 2.14 3.22 0.06 0.00 -1.26 -5.05 105.19 105.01 3dur n GLY 104 Ca 0.03 -1.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.03 3dur n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dur s THR 105 N -2.26 1.55 0.03 2.61 -4.23 -0.23 -4.71 115.64 108.41 3dur s THR 105 Ca 0.00 -1.01 -0.20 0.00 -1.18 0.00 0.00 61.69 59.30 3dur s THR 105 Cb 0.00 -1.33 -0.06 0.00 1.34 0.00 0.00 72.50 72.45 3dur s THR 105 CO 0.00 0.29 0.57 -0.55 -0.54 0.00 0.00 174.62 174.39 3dur s SER 106 N -0.84 6.99 -0.08 3.99 0.15 -1.26 -0.29 113.70 122.35 3dur s SER 106 Ca 0.07 1.18 0.01 0.00 0.70 0.00 0.00 55.95 57.91 3dur s SER 106 Cb -0.08 -2.35 0.02 0.00 -1.71 0.00 0.00 66.02 61.90 3dur s SER 106 CO 0.01 0.19 -0.10 -0.69 1.20 0.00 0.00 173.24 173.85 3dur s VAL 107 N -0.62 1.06 -0.16 4.45 1.01 -0.05 -1.38 120.40 124.70 3dur s VAL 107 Ca 0.29 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3dur s VAL 107 Cb -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.18 3dur s VAL 107 CO 0.17 0.35 -0.16 -0.89 0.00 0.00 0.00 175.10 174.58 3dur s THR 108 N 1.12 2.54 -0.36 3.92 2.01 -0.57 -1.43 115.64 122.87 3dur s THR 108 Ca -0.06 -0.81 -0.12 0.00 0.31 0.00 0.00 61.69 61.02 3dur s THR 108 Cb -0.14 -2.07 0.01 0.00 0.01 0.00 0.00 72.50 70.31 3dur s THR 108 CO -0.02 0.52 0.22 -0.69 -0.69 0.00 0.00 174.62 173.96 3dur s VAL 109 N 0.94 4.80 -0.27 3.82 1.01 -1.26 -1.65 120.40 127.78 3dur s VAL 109 Ca -0.03 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.11 3dur s VAL 109 Cb -0.15 -3.61 0.08 0.00 0.00 0.00 0.00 36.38 32.70 3dur s VAL 109 CO -0.02 -0.16 0.69 -0.55 0.00 0.00 0.00 175.10 175.05 3dur s SER 110 N 1.61 -0.88 0.00 3.32 0.15 -0.42 -4.33 113.70 113.14 3dur s SER 110 Ca 0.04 1.49 0.28 0.00 0.70 0.00 0.00 55.95 58.45 3dur s SER 110 Cb -0.18 1.40 1.01 0.00 -1.71 0.00 0.00 66.02 66.53 3dur s SER 110 CO 0.08 -0.24 1.72 -1.54 1.20 0.00 0.00 173.24 174.46