#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 3.03 -0.03 6.31 1.01 -1.26 -4.06 120.40 125.40 3dur s VAL 2 Ca 0.00 0.41 0.04 0.00 0.00 0.00 0.00 61.98 62.43 3dur s VAL 2 Cb 0.00 -3.26 -0.00 0.00 0.00 0.00 0.00 36.38 33.11 3dur s VAL 2 CO 0.00 -0.01 -0.16 -1.10 0.00 0.00 0.00 175.10 173.83 3dur s GLN 3 N 3.01 1.56 -0.08 2.72 -0.21 -0.43 -5.00 119.66 121.23 3dur s GLN 3 Ca 0.76 -0.55 0.01 0.00 0.02 0.00 0.00 55.36 55.60 3dur s GLN 3 Cb -0.40 -1.39 0.02 0.00 1.00 0.00 0.00 33.01 32.23 3dur s GLN 3 CO 0.33 0.24 -0.10 -0.51 -2.12 0.00 0.00 175.29 173.14 3dur s LEU 4 N -0.01 1.46 -0.19 2.90 1.43 -1.26 -1.55 118.68 121.46 3dur s LEU 4 Ca -0.02 -0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 52.77 3dur s LEU 4 Cb -0.10 -0.81 0.06 0.00 0.03 0.00 0.00 46.19 45.37 3dur s LEU 4 CO 0.01 -0.03 0.01 -0.69 0.23 0.00 0.00 176.35 175.89 3dur s VAL 5 N 1.06 0.70 0.31 -1.59 1.01 0.20 -3.94 120.40 118.15 3dur s VAL 5 Ca -0.07 -0.60 -0.20 0.00 0.00 0.00 0.00 61.98 61.11 3dur s VAL 5 Cb -0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 36.38 35.03 3dur s VAL 5 CO -0.01 -0.13 0.81 -1.61 0.00 0.00 0.00 175.10 174.17 3dur s GLU 6 N 1.79 4.24 0.14 2.72 8.01 -1.26 -0.81 118.70 133.52 3dur s GLU 6 Ca -0.01 0.95 -0.11 0.00 0.01 0.00 0.00 54.97 55.81 3dur s GLU 6 Cb -0.17 -2.60 0.00 0.00 -4.31 0.00 0.00 34.13 27.06 3dur s GLU 6 CO -0.07 0.22 0.29 -1.54 0.01 0.00 0.00 175.26 174.17 3dur s SER 7 N -1.92 -0.00 0.00 -0.19 1.04 0.42 -4.73 113.70 108.32 3dur s SER 7 Ca 0.51 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.26 3dur s SER 7 Cb -0.14 0.42 0.00 0.00 0.10 0.00 0.00 66.02 66.41 3dur s SER 7 CO 0.19 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.17 3dur n GLY 8 N -0.18 1.24 3.77 7.32 0.00 -1.26 -0.32 105.19 115.76 3dur n GLY 8 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.39 2.78 0.01 -0.02 0.00 -1.26 -4.68 107.32 102.77 3dur s GLY 9 Ca 0.00 0.99 -0.01 0.00 0.00 0.00 0.00 44.72 45.71 3dur s GLY 9 CO 0.00 1.45 0.03 0.61 0.00 0.00 0.00 173.10 175.19 3dur n GLY 10 N 0.47 1.81 3.60 0.20 0.00 -1.06 -4.87 105.19 105.34 3dur n GLY 10 Ca 0.08 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.75 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 3.76 0.06 0.99 2.96 -1.26 -1.94 118.68 123.26 3dur s LEU 11 Ca 0.01 0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 3dur s LEU 11 Cb -0.00 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 3dur s LEU 11 CO 0.00 0.13 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.43 3dur s VAL 12 N 0.62 0.38 0.34 1.68 1.01 -0.34 -4.99 120.40 119.11 3dur s VAL 12 Ca 0.03 -1.80 -0.17 0.00 0.00 0.00 0.00 61.98 60.04 3dur s VAL 12 Cb -0.13 -1.51 -0.09 0.00 0.00 0.00 0.00 36.38 34.65 3dur s VAL 12 CO 0.01 -0.93 0.79 -1.10 0.00 0.00 0.00 175.10 173.88 3dur s GLN 13 N -3.75 4.09 0.26 2.72 -0.21 -1.26 -0.97 119.66 120.54 3dur s GLN 13 Ca 0.07 0.81 -0.30 0.00 0.02 0.00 0.00 55.36 55.96 3dur s GLN 13 Cb 0.06 -2.41 -0.14 0.00 1.00 0.00 0.00 33.01 31.52 3dur s GLN 13 CO -0.08 0.13 1.19 -2.30 -2.12 0.00 0.00 175.29 172.11 3dur n PRO 14 N -0.33 1.60 0.00 2.91 -0.02 -1.26 -0.23 135.00 137.67 3dur n PRO 14 Ca 0.04 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.09 3dur n PRO 14 Cb 0.53 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 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 1.56 1.72 0.00 -1.23 0.00 0.17 -4.99 105.19 102.42 3dur n GLY 15 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -2.00 -1.20 3.07 -0.02 0.00 0.68 -4.38 105.19 101.34 3dur n GLY 16 Ca 0.00 -1.63 -0.08 0.00 0.00 0.00 0.00 46.02 44.31 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 -1.06 0.36 0.09 1.61 0.01 -1.26 -1.56 113.70 111.89 3dur s SER 17 Ca 0.00 -0.78 -0.21 0.00 1.31 0.00 0.00 55.95 56.27 3dur s SER 17 Cb 0.00 0.18 0.05 0.00 0.21 0.00 0.00 66.02 66.46 3dur s SER 17 CO 0.00 -0.50 0.52 -0.22 0.41 0.00 0.00 173.24 173.45 3dur s LEU 18 N -2.39 -0.12 -0.12 2.44 2.96 -1.00 -5.03 118.68 115.42 3dur s LEU 18 Ca -0.01 0.04 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3dur s LEU 18 Cb 0.01 2.20 0.02 0.00 0.50 0.00 0.00 46.19 48.93 3dur s LEU 18 CO -0.07 -0.81 -0.10 -0.60 -1.32 0.00 0.00 176.35 173.45 3dur s ARG 19 N -3.04 1.81 0.13 1.98 3.52 -1.26 -0.82 118.95 121.28 3dur s ARG 19 Ca -0.02 -0.37 -0.05 0.00 -0.13 0.00 0.00 55.73 55.16 3dur s ARG 19 Cb -0.00 -1.76 -0.06 0.00 -1.56 0.00 0.00 34.95 31.58 3dur s ARG 19 CO -0.06 -0.24 0.37 -0.51 -0.81 0.00 0.00 175.30 174.05 3dur s LEU 20 N 1.56 4.28 0.15 -0.88 1.02 0.09 -4.64 118.68 120.27 3dur s LEU 20 Ca 0.04 0.59 0.09 0.00 0.02 0.00 0.00 54.13 54.87 3dur s LEU 20 Cb -0.13 -3.26 -0.04 0.00 0.02 0.00 0.00 46.19 42.78 3dur s LEU 20 CO -0.08 0.07 -0.20 -0.44 0.02 0.00 0.00 176.35 175.72 3dur s SER 21 N -2.36 2.74 -0.27 2.29 0.01 0.56 -1.49 113.70 115.18 3dur s SER 21 Ca 0.40 -0.82 -0.02 0.00 1.31 0.00 0.00 55.95 56.81 3dur s SER 21 Cb -0.12 -0.17 0.11 0.00 0.21 0.00 0.00 66.02 66.05 3dur s SER 21 CO 0.24 0.01 0.22 0.00 0.41 0.00 0.00 173.24 174.12 3dur s ALA 23 N 2.26 3.30 0.11 0.00 0.00 0.01 -0.85 121.76 126.59 3dur s ALA 23 Ca 0.08 0.32 0.09 0.00 0.00 0.00 0.00 51.96 52.46 3dur s ALA 23 Cb -0.15 -3.09 -0.04 0.00 0.00 0.00 0.00 23.12 19.84 3dur s ALA 23 CO -0.29 -0.07 -0.22 0.95 0.00 0.00 0.00 175.76 176.13 3dur s THR 24 N 0.47 1.85 0.16 0.00 -4.23 -0.92 -0.63 115.64 112.33 3dur s THR 24 Ca 0.42 -1.63 -0.15 0.00 -1.18 0.00 0.00 61.69 59.15 3dur s THR 24 Cb -0.20 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 71.98 3dur s THR 24 CO 0.23 -0.05 0.43 -0.94 -0.54 0.00 0.00 174.62 173.75 3dur s SER 25 N -2.01 -0.19 0.00 3.99 1.04 -0.60 -4.85 113.70 111.08 3dur s SER 25 Ca 0.09 -0.48 0.00 0.00 0.48 0.00 0.00 55.95 56.04 3dur s SER 25 Cb -0.10 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.53 3dur s SER 25 CO 0.05 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 173.94 3dur n GLY 26 N -0.27 0.81 3.55 7.32 0.00 -1.26 -1.31 105.19 114.03 3dur n GLY 26 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.06 -0.37 -0.76 1.61 -0.71 -1.26 -4.25 117.98 110.18 3dur s PHE 27 Ca 0.00 0.15 -0.26 0.00 -1.04 0.00 0.00 56.93 55.78 3dur s PHE 27 Cb 0.00 0.58 0.01 0.00 -1.21 0.00 0.00 43.02 42.40 3dur s PHE 27 CO 0.00 -0.78 1.54 0.99 -1.34 0.00 0.00 175.22 175.64 3dur s THR 28 N -3.47 3.62 0.21 -4.49 2.01 -1.26 -4.88 115.64 107.37 3dur s THR 28 Ca 0.05 0.08 -0.11 0.00 0.31 0.00 0.00 61.69 62.02 3dur s THR 28 Cb -0.02 -4.57 0.19 0.00 0.01 0.00 0.00 72.50 68.11 3dur s THR 28 CO -0.07 -1.51 1.67 0.15 -0.69 0.00 0.00 174.62 174.17 3dur h PHE 29 N 11.55 -0.04 0.00 4.92 3.57 -1.97 -1.36 116.94 133.61 3dur h PHE 29 Ca -0.16 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.38 3dur h PHE 29 Cb 1.07 0.11 -0.00 0.00 2.79 0.00 0.00 35.95 39.92 3dur h PHE 29 CO 1.14 -0.16 -0.01 1.79 -2.23 0.00 0.00 178.31 178.84 3dur h THR 30 N 0.12 0.04 0.00 4.41 1.35 -1.92 -2.14 112.91 114.76 3dur h THR 30 Ca 0.31 -0.30 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 3dur h THR 30 Cb 0.49 1.28 -0.00 0.00 -1.73 0.00 0.00 68.15 68.20 3dur h THR 30 CO -0.51 0.01 -0.02 0.44 -0.25 0.00 0.00 175.52 175.19 3dur h ASP 31 N 0.00 0.00 -3.73 5.36 3.32 -1.65 -1.58 116.42 118.14 3dur h ASP 31 Ca -0.00 0.00 -0.68 0.00 0.02 0.00 0.00 57.03 56.37 3dur h ASP 31 Cb 0.28 0.00 -0.19 0.00 0.22 0.00 0.00 39.33 39.65 3dur h ASP 31 CO 0.00 0.02 -0.80 -0.31 -1.72 0.00 0.00 179.24 176.43 3dur s TYR 32 N -3.92 2.53 0.75 4.55 2.02 -0.81 -4.80 117.35 117.66 3dur s TYR 32 Ca -0.02 -0.27 -0.11 0.00 -0.37 0.00 0.00 57.07 56.31 3dur s TYR 32 Cb 0.11 -1.34 0.04 0.00 -0.40 0.00 0.00 41.96 40.37 3dur s TYR 32 CO 0.50 0.38 1.08 0.71 -1.57 0.00 0.00 175.55 176.65 3dur s TYR 33 N -1.14 2.83 -0.07 2.71 1.51 -0.57 -4.15 117.35 118.47 3dur s TYR 33 Ca 0.18 1.45 0.02 0.00 -1.01 0.00 0.00 57.07 57.70 3dur s TYR 33 Cb -0.11 -2.98 0.02 0.00 -0.11 0.00 0.00 41.96 38.78 3dur s TYR 33 CO 0.10 -1.57 -0.11 -1.64 -1.11 0.00 0.00 175.55 171.22 3dur s MET 34 N -4.99 1.63 0.15 -0.62 -1.94 -0.41 -1.29 119.30 111.84 3dur s MET 34 Ca 0.60 -0.37 0.04 0.00 -1.71 0.00 0.00 55.69 54.25 3dur s MET 34 Cb -0.16 -1.42 -0.04 0.00 2.01 0.00 0.00 34.83 35.22 3dur s MET 34 CO 0.55 -0.04 0.20 -1.12 -0.01 0.00 0.00 175.02 174.61 3dur s SER 35 N 0.89 5.91 -0.09 3.03 0.01 -0.21 -1.38 113.70 121.86 3dur s SER 35 Ca -0.10 0.02 0.02 0.00 1.31 0.00 0.00 55.95 57.19 3dur s SER 35 Cb -0.15 -1.67 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 3dur s SER 35 CO 0.01 0.06 -0.13 0.26 0.41 0.00 0.00 173.24 173.86 3dur s TRP 36 N -1.74 2.78 -0.01 2.43 0.52 -0.63 -1.29 118.94 121.00 3dur s TRP 36 Ca 0.33 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.11 3dur s TRP 36 Cb -0.11 -1.74 0.00 0.00 -1.15 0.00 0.00 33.47 30.48 3dur s TRP 36 CO 0.26 0.02 -0.04 0.08 0.02 0.00 0.00 176.95 177.29 3dur s VAL 37 N -0.25 0.36 0.33 4.03 1.01 0.30 -1.31 120.40 124.88 3dur s VAL 37 Ca 0.02 -0.15 0.08 0.00 0.00 0.00 0.00 61.98 61.93 3dur s VAL 37 Cb -0.13 -0.34 -0.07 0.00 0.00 0.00 0.00 36.38 35.85 3dur s VAL 37 CO 0.03 0.13 -0.05 0.00 0.00 0.00 0.00 175.10 175.20 3dur s ARG 38 N 0.19 1.74 -0.24 2.72 1.70 -0.25 0.16 118.95 124.97 3dur s ARG 38 Ca -0.02 -1.92 -0.03 0.00 -0.47 0.00 0.00 55.73 53.29 3dur s ARG 38 Cb -0.05 -1.45 0.10 0.00 -0.57 0.00 0.00 34.95 32.98 3dur s ARG 38 CO -0.00 0.05 0.19 -1.14 -1.08 0.00 0.00 175.30 173.31 3dur s GLN 39 N -3.69 0.20 0.57 3.89 0.74 0.48 -0.75 119.66 121.11 3dur s GLN 39 Ca 0.32 -0.14 -0.19 0.00 0.05 0.00 0.00 55.36 55.40 3dur s GLN 39 Cb 0.05 -1.16 -0.04 0.00 1.10 0.00 0.00 33.01 32.95 3dur s GLN 39 CO 0.15 -0.85 1.20 -2.14 -0.55 0.00 0.00 175.29 173.10 3dur s PRO 40 N 2.24 3.09 -0.23 1.67 0.02 -1.26 -1.32 135.00 139.20 3dur s PRO 40 Ca 0.07 1.81 -0.38 0.00 0.02 0.00 0.00 61.00 62.53 3dur s PRO 40 Cb -0.15 -1.99 -0.14 0.00 0.02 0.00 0.00 34.50 32.24 3dur s PRO 40 CO -0.24 -1.11 1.84 -2.30 -0.33 0.00 0.00 177.00 174.86 3dur n PRO 41 N -1.45 1.44 -1.10 5.54 -0.02 -1.26 -1.23 135.00 136.93 3dur n PRO 41 Ca 0.13 0.52 -0.03 0.00 -2.02 0.00 0.00 63.50 62.09 3dur n PRO 41 Cb 0.49 -2.30 -0.01 0.00 -0.02 0.00 0.00 33.50 31.66 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 4.52 0.64 3.50 -1.23 0.00 -1.26 -5.02 105.19 106.35 3dur n GLY 42 Ca 0.27 -0.49 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.72 1.80 0.60 1.61 1.02 -0.36 -5.15 119.74 117.55 3dur s LYS 43 Ca 0.00 -2.05 -0.15 0.00 0.02 0.00 0.00 55.97 53.79 3dur s LYS 43 Cb 0.00 -0.87 -0.03 0.00 -0.52 0.00 0.00 37.83 36.41 3dur s LYS 43 CO 0.00 -0.29 1.05 0.00 -0.92 0.00 0.00 175.35 175.19 3dur s ALA 44 N -3.21 2.75 0.44 5.17 0.00 -1.26 -4.51 121.76 121.14 3dur s ALA 44 Ca 0.30 0.34 -0.24 0.00 0.00 0.00 0.00 51.96 52.35 3dur s ALA 44 Cb 0.06 -3.22 -0.10 0.00 0.00 0.00 0.00 23.12 19.87 3dur s ALA 44 CO 0.14 -0.83 1.07 1.28 0.00 0.00 0.00 175.76 177.43 3dur n LEU 45 N -2.15 3.08 -3.83 0.00 4.77 -1.26 -4.43 117.00 113.17 3dur n LEU 45 Ca 0.08 1.03 -0.25 0.00 -0.03 0.00 0.00 56.01 56.85 3dur n LEU 45 Cb 0.53 -1.39 -0.17 0.00 -2.33 0.00 0.00 43.42 40.05 3dur n LEU 45 CO 0.48 -1.30 -0.41 -0.70 -1.33 0.00 0.00 177.39 174.13 3dur s GLU 46 N -2.13 1.01 0.16 3.23 2.12 0.07 -4.99 118.70 118.17 3dur s GLU 46 Ca 0.64 -0.05 -0.30 0.00 0.36 0.00 0.00 54.97 55.62 3dur s GLU 46 Cb -0.53 -1.25 -0.07 0.00 0.26 0.00 0.00 34.13 32.54 3dur s GLU 46 CO 0.56 -0.29 1.06 -0.46 -0.54 0.00 0.00 175.26 175.59 3dur s TRP 47 N 1.86 3.66 -0.12 5.30 -0.00 -1.26 -1.10 118.94 127.28 3dur s TRP 47 Ca 0.05 1.65 0.10 0.00 -0.00 0.00 0.00 56.10 57.90 3dur s TRP 47 Cb -0.12 -3.21 -0.14 0.00 -0.00 0.00 0.00 33.47 29.99 3dur s TRP 47 CO -0.07 -0.38 0.03 1.28 -0.00 0.00 0.00 176.95 177.82 3dur n LEU 48 N 2.49 0.11 0.00 5.86 4.77 -0.43 -4.61 117.00 125.20 3dur n LEU 48 Ca 0.03 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 3dur n LEU 48 Cb 0.47 0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.82 3dur n LEU 48 CO 0.53 0.31 0.00 0.61 -1.33 0.00 0.00 177.39 177.51 3dur n GLY 49 N 2.29 1.90 3.27 -0.72 0.00 -1.21 -0.43 105.19 110.29 3dur n GLY 49 Ca -0.19 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.75 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 0.55 -0.08 1.61 -0.12 -0.20 -1.60 117.98 116.13 3dur s PHE 50 Ca 0.00 -0.92 0.04 0.00 -0.05 0.00 0.00 56.93 56.01 3dur s PHE 50 Cb 0.00 -0.20 -0.00 0.00 -0.63 0.00 0.00 43.02 42.18 3dur s PHE 50 CO 0.00 -0.64 -0.23 -1.50 -0.05 0.00 0.00 175.22 172.80 3dur s ILE 51 N -3.99 1.96 1.07 -4.49 2.07 -0.48 -1.86 121.20 115.49 3dur s ILE 51 Ca 0.19 -0.98 -0.18 0.00 -1.41 0.00 0.00 60.65 58.27 3dur s ILE 51 Cb 0.05 -1.69 0.24 0.00 0.13 0.00 0.00 42.46 41.19 3dur s ILE 51 CO -0.00 0.54 1.24 -0.13 -1.91 0.00 0.00 174.94 174.68 3dur s ARG 52 N 0.21 -0.22 0.38 3.50 0.52 0.40 -1.29 118.95 122.46 3dur s ARG 52 Ca -0.14 -0.31 0.02 0.00 -0.52 0.00 0.00 55.73 54.78 3dur s ARG 52 Cb -0.16 -1.74 0.07 0.00 0.52 0.00 0.00 34.95 33.64 3dur s ARG 52 CO 0.07 -3.00 0.52 0.27 0.02 0.00 0.00 175.30 173.18 3dur n ASN 52 N -4.20 0.95 -0.36 0.23 6.94 -1.26 -4.06 115.26 113.50 3dur n ASN 52 Ca 0.15 -1.75 0.01 0.00 -0.02 0.00 0.00 54.58 52.97 3dur n ASN 52 Cb 0.59 -0.31 0.15 0.00 -2.36 0.00 0.00 39.78 37.84 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 1.17 0.00 -3.83 3.64 -1.59 -0.93 116.57 115.03 3dur h LYS 52 Ca -0.17 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.12 3dur h LYS 52 Cb 0.70 -0.26 -0.00 0.00 -0.41 0.00 0.00 32.23 32.26 3dur h LYS 52 CO 0.21 0.77 -0.08 0.00 -2.27 0.00 0.00 179.45 178.09 3dur h ALA 52 N 1.41 1.26 -0.40 5.00 0.00 -1.93 -1.19 119.26 123.41 3dur h ALA 52 Ca 0.40 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.24 3dur h ALA 52 Cb 0.05 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.83 3dur h ALA 52 CO -0.14 0.09 0.00 1.63 0.00 0.00 0.00 179.25 180.84 3dur n LYS 52 N -3.55 2.42 -1.46 0.00 4.76 -0.50 -4.95 118.16 114.88 3dur n LYS 52 Ca -0.02 -2.23 -0.08 0.00 -2.87 0.00 0.00 58.31 53.12 3dur n LYS 52 Cb 0.20 -1.47 -0.02 0.00 -1.84 0.00 0.00 35.03 31.89 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 1.34 0.72 3.62 0.72 0.00 -0.45 -3.95 105.19 107.18 3dur n GLY 52 Ca 0.18 -0.67 -0.27 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.11 -2.12 -1.33 1.61 4.01 -0.47 -4.99 117.16 110.76 3dur n TYR 53 Ca -0.08 0.73 -0.29 0.00 -0.16 0.00 0.00 57.90 58.09 3dur n TYR 53 Cb 0.33 -3.80 0.20 0.00 -0.31 0.00 0.00 39.34 35.77 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 -3.18 1.81 0.07 -0.72 -4.23 -1.25 -4.54 115.64 103.60 3dur s THR 54 Ca 0.54 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 61.06 3dur s THR 54 Cb -0.27 -2.63 -0.03 0.00 1.34 0.00 0.00 72.50 70.91 3dur s THR 54 CO 0.66 0.00 -0.06 0.42 -0.54 0.00 0.00 174.62 175.10 3dur s THR 55 N -3.20 0.54 0.04 3.99 -4.23 -1.26 -0.45 115.64 111.07 3dur s THR 55 Ca 0.69 -1.51 -0.03 0.00 -1.18 0.00 0.00 61.69 59.66 3dur s THR 55 Cb -0.11 -1.14 -0.02 0.00 1.34 0.00 0.00 72.50 72.56 3dur s THR 55 CO 0.55 -0.67 0.03 -1.61 -0.54 0.00 0.00 174.62 172.38 3dur s GLU 56 N -2.79 0.57 -0.01 3.99 0.41 -0.78 -5.00 118.70 115.10 3dur s GLU 56 Ca 0.01 -0.96 -0.08 0.00 -0.41 0.00 0.00 54.97 53.53 3dur s GLU 56 Cb -0.02 0.21 0.01 0.00 -1.78 0.00 0.00 34.13 32.55 3dur s GLU 56 CO -0.03 -0.12 0.16 0.71 -0.49 0.00 0.00 175.26 175.49 3dur s TYR 57 N -3.12 -0.02 0.71 1.61 2.02 -1.26 -1.03 117.35 116.26 3dur s TYR 57 Ca -0.01 0.01 -0.16 0.00 -0.37 0.00 0.00 57.07 56.55 3dur s TYR 57 Cb 0.02 -0.01 0.03 0.00 -0.40 0.00 0.00 41.96 41.59 3dur s TYR 57 CO -0.07 -0.26 1.21 -1.54 -1.57 0.00 0.00 175.55 173.32 3dur s SER 58 N -1.11 4.38 0.52 2.29 1.04 0.43 -4.79 113.70 116.46 3dur s SER 58 Ca -0.12 2.36 0.17 0.00 0.48 0.00 0.00 55.95 58.84 3dur s SER 58 Cb -0.06 -2.59 1.30 0.00 0.10 0.00 0.00 66.02 64.76 3dur s SER 58 CO 0.02 -2.14 2.15 0.00 0.98 0.00 0.00 173.24 174.24 3dur h ALA 59 N -0.09 2.00 0.00 5.32 0.00 -1.94 -0.38 119.26 124.17 3dur h ALA 59 Ca -0.48 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 3dur h ALA 59 Cb 1.30 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.09 3dur h ALA 59 CO 0.51 -0.03 -0.01 0.66 0.00 0.00 0.00 179.25 180.38 3dur h SER 60 N 0.00 0.00 0.00 0.00 4.64 -1.95 -3.24 113.55 113.00 3dur h SER 60 Ca 0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 3dur h SER 60 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 3dur h SER 60 CO -0.00 0.01 0.00 1.33 -0.87 0.00 0.00 176.83 177.30 3dur n VAL 61 N -3.14 0.00 -1.69 0.95 0.24 -0.77 -5.02 118.33 108.90 3dur n VAL 61 Ca -0.01 -0.28 -0.44 0.00 -2.04 0.00 0.00 64.34 61.57 3dur n VAL 61 Cb 0.19 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.58 3dur n VAL 61 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dur n LYS 62 N -0.50 2.36 0.00 7.34 4.81 -0.22 -1.72 118.16 130.23 3dur n LYS 62 Ca 0.00 0.85 0.00 0.00 -0.87 0.00 0.00 58.31 58.29 3dur n LYS 62 Cb 0.01 -2.61 0.00 0.00 0.02 0.00 0.00 35.03 32.45 3dur n LYS 62 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dur n GLY 63 N 3.05 2.68 0.10 3.14 0.00 -1.26 -4.71 105.19 108.19 3dur n GLY 63 Ca 0.14 -0.39 -0.00 0.00 0.00 0.00 0.00 46.02 45.77 3dur n GLY 63 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dur h ARG 64 N 0.00 0.00 -6.62 1.61 3.08 -1.66 -3.47 114.38 107.32 3dur h ARG 64 Ca 0.00 0.00 -0.67 0.00 0.07 0.00 0.00 59.98 59.38 3dur h ARG 64 Cb 0.00 0.00 -0.26 0.00 0.08 0.00 0.00 29.97 29.79 3dur h ARG 64 CO 0.00 0.38 -0.87 -0.06 -1.07 0.00 0.00 179.97 178.34 3dur s PHE 65 N -2.90 2.22 -0.04 3.04 0.40 -0.82 -0.65 117.98 119.22 3dur s PHE 65 Ca -0.02 -0.40 0.02 0.00 -0.60 0.00 0.00 56.93 55.93 3dur s PHE 65 Cb 0.08 -1.31 0.01 0.00 0.51 0.00 0.00 43.02 42.31 3dur s PHE 65 CO 0.80 0.14 -0.08 0.45 0.70 0.00 0.00 175.22 177.23 3dur s SER 66 N -1.30 1.18 -0.05 1.36 0.15 0.41 -4.82 113.70 110.63 3dur s SER 66 Ca 0.11 -0.18 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 3dur s SER 66 Cb -0.10 -0.48 -0.04 0.00 -1.71 0.00 0.00 66.02 63.70 3dur s SER 66 CO 0.02 0.01 0.14 -0.63 1.20 0.00 0.00 173.24 173.98 3dur s ILE 67 N 0.59 5.25 0.32 6.45 1.01 -1.26 -0.38 121.20 133.18 3dur s ILE 67 Ca -0.09 -0.11 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 3dur s ILE 67 Cb -0.13 -3.38 0.02 0.00 0.01 0.00 0.00 42.46 38.98 3dur s ILE 67 CO 0.01 0.43 0.59 -0.94 0.00 0.00 0.00 174.94 175.03 3dur s SER 68 N -1.57 0.24 -0.03 3.58 1.04 -1.12 -4.99 113.70 110.85 3dur s SER 68 Ca 0.22 -1.13 -0.10 0.00 0.48 0.00 0.00 55.95 55.42 3dur s SER 68 Cb -0.12 0.70 0.02 0.00 0.10 0.00 0.00 66.02 66.71 3dur s SER 68 CO 0.12 -1.36 0.23 0.00 0.98 0.00 0.00 173.24 173.21 3dur s ARG 69 N -3.25 0.48 -0.38 4.02 1.70 -1.26 -0.69 118.95 119.57 3dur s ARG 69 Ca 0.22 -0.10 -0.09 0.00 -0.47 0.00 0.00 55.73 55.29 3dur s ARG 69 Cb -0.02 0.21 0.04 0.00 -0.57 0.00 0.00 34.95 34.61 3dur s ARG 69 CO 0.13 -0.11 0.19 0.34 -1.08 0.00 0.00 175.30 174.77 3dur s ASP 70 N -0.88 5.60 0.00 -2.89 -1.08 0.23 -4.96 116.67 112.69 3dur s ASP 70 Ca -0.10 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.06 3dur s ASP 70 Cb -0.05 -1.97 1.10 0.00 -1.46 0.00 0.00 42.92 40.54 3dur s ASP 70 CO 0.02 -0.41 1.83 0.59 0.52 0.00 0.00 175.17 177.72 3dur n ASN 71 N 4.93 0.12 0.03 -0.34 5.03 -1.26 -0.83 115.26 122.94 3dur n ASN 71 Ca -0.12 0.26 -0.08 0.00 0.87 0.00 0.00 54.58 55.52 3dur n ASN 71 Cb 0.45 -0.31 -0.13 0.00 -1.02 0.00 0.00 39.78 38.77 3dur n ASN 71 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.26 176.20 3dur h SER 72 N 0.03 0.01 -0.04 6.41 4.64 -1.97 -3.35 113.55 119.27 3dur h SER 72 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 3dur h SER 72 Cb 0.48 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.57 3dur h SER 72 CO 0.00 1.01 0.00 0.00 -0.87 0.00 0.00 176.83 176.97 3dur n GLN 73 N -3.23 0.81 -3.55 4.77 6.02 -1.19 -5.00 117.38 116.02 3dur n GLN 73 Ca -0.07 -1.27 -0.21 0.00 -0.01 0.00 0.00 57.00 55.43 3dur n GLN 73 Cb 0.99 -1.23 0.08 0.00 1.02 0.00 0.00 30.24 31.09 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 0.67 -3.94 -4.24 1.08 7.64 -0.01 -4.77 113.62 110.05 3dur n SER 74 Ca 0.07 -0.61 -0.30 0.00 1.01 0.00 0.00 58.87 59.04 3dur n SER 74 Cb 0.31 -4.93 -0.16 0.00 -1.01 0.00 0.00 64.21 58.42 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 -3.36 1.89 -0.11 0.44 1.01 -0.82 -2.17 121.20 118.07 3dur s ILE 75 Ca 0.29 -0.99 -0.05 0.00 0.00 0.00 0.00 60.65 59.90 3dur s ILE 75 Cb -0.13 -1.59 -0.04 0.00 0.01 0.00 0.00 42.46 40.71 3dur s ILE 75 CO 0.74 0.53 0.07 -0.22 0.00 0.00 0.00 174.94 176.07 3dur s LEU 76 N -0.23 4.00 0.12 2.97 2.96 -0.03 -0.60 118.68 127.86 3dur s LEU 76 Ca -0.00 0.29 0.10 0.00 -0.22 0.00 0.00 54.13 54.30 3dur s LEU 76 Cb -0.12 -1.96 -0.04 0.00 0.50 0.00 0.00 46.19 44.57 3dur s LEU 76 CO 0.02 0.37 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.90 3dur s TYR 77 N -0.81 2.45 -0.24 5.38 2.02 0.13 -0.29 117.35 125.99 3dur s TYR 77 Ca 0.13 -0.31 0.01 0.00 -0.37 0.00 0.00 57.07 56.54 3dur s TYR 77 Cb -0.12 -1.32 0.06 0.00 -0.40 0.00 0.00 41.96 40.18 3dur s TYR 77 CO 0.03 0.36 -0.08 -1.17 -1.57 0.00 0.00 175.55 173.12 3dur s LEU 78 N -2.07 2.80 -0.43 -1.29 2.96 -0.56 -2.78 118.68 117.31 3dur s LEU 78 Ca 0.16 -1.20 -0.19 0.00 -0.22 0.00 0.00 54.13 52.68 3dur s LEU 78 Cb -0.10 -1.30 0.02 0.00 0.50 0.00 0.00 46.19 45.31 3dur s LEU 78 CO 0.08 -0.21 0.57 -1.58 -1.32 0.00 0.00 176.35 173.89 3dur s GLN 79 N 1.30 3.22 -0.80 1.98 2.00 0.49 -0.73 119.66 127.12 3dur s GLN 79 Ca -0.06 -0.51 -0.18 0.00 -2.00 0.00 0.00 55.36 52.61 3dur s GLN 79 Cb -0.19 -3.96 0.14 0.00 0.80 0.00 0.00 33.01 29.81 3dur s GLN 79 CO -0.06 -0.95 0.91 -1.64 -0.50 0.00 0.00 175.29 173.05 3dur s MET 80 N 2.57 3.42 0.10 1.67 -1.94 0.00 -0.45 119.30 124.68 3dur s MET 80 Ca 0.19 -1.76 -0.10 0.00 -1.71 0.00 0.00 55.69 52.31 3dur s MET 80 Cb -0.15 -4.58 -0.16 0.00 2.01 0.00 0.00 34.83 31.95 3dur s MET 80 CO 0.17 -1.59 1.26 -0.91 -0.01 0.00 0.00 175.02 173.93 3dur h ASN 81 N 8.71 0.76 -3.24 3.03 2.35 -1.14 -2.66 115.58 123.39 3dur h ASN 81 Ca -0.01 -0.59 -0.47 0.00 -0.55 0.00 0.00 56.30 54.69 3dur h ASN 81 Cb 1.05 -0.23 -0.39 0.00 0.05 0.00 0.00 38.32 38.80 3dur h ASN 81 CO 1.02 1.39 -0.76 -0.89 -1.65 0.00 0.00 177.43 176.54 3dur s THR 81 N -3.36 0.34 0.33 2.81 2.01 -0.92 -4.57 115.64 112.28 3dur s THR 81 Ca -0.08 -0.16 0.02 0.00 0.31 0.00 0.00 61.69 61.78 3dur s THR 81 Cb 0.08 -0.70 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3dur s THR 81 CO 0.90 0.00 0.51 -0.76 -0.69 0.00 0.00 174.62 174.58 3dur s LEU 82 N 1.96 4.07 0.14 4.42 1.43 -0.60 -4.79 118.68 125.30 3dur s LEU 82 Ca 0.02 0.34 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 3dur s LEU 82 Cb -0.15 -3.19 -0.04 0.00 0.03 0.00 0.00 46.19 42.85 3dur s LEU 82 CO -0.07 -0.27 -0.15 -0.13 0.23 0.00 0.00 176.35 175.97 3dur s ARG 83 N -4.25 1.10 0.27 1.70 0.52 -1.26 -0.65 118.95 116.38 3dur s ARG 83 Ca 0.39 -1.30 -0.03 0.00 -0.52 0.00 0.00 55.73 54.27 3dur s ARG 83 Cb -0.09 -1.02 0.57 0.00 0.52 0.00 0.00 34.95 34.92 3dur s ARG 83 CO 0.34 0.20 1.65 0.00 0.02 0.00 0.00 175.30 177.51 3dur h ALA 84 N 3.40 1.04 0.00 2.13 0.00 -1.95 0.17 119.26 124.04 3dur h ALA 84 Ca -0.40 0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dur h ALA 84 Cb 1.20 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3dur h ALA 84 CO 0.51 -0.43 0.00 -0.85 0.00 0.00 0.00 179.25 178.49 3dur n GLU 85 N -5.26 0.54 0.00 0.00 0.00 -1.26 -2.18 120.64 112.47 3dur n GLU 85 Ca 0.17 0.00 0.15 0.00 0.00 0.00 0.00 57.16 57.48 3dur n GLU 85 Cb 0.57 -1.43 0.70 0.00 0.00 0.00 0.00 31.44 31.29 3dur n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dur n ASP 86 N -0.93 0.15 -4.69 -1.84 10.43 0.58 -4.87 116.55 115.38 3dur n ASP 86 Ca 0.11 -0.27 -0.42 0.00 2.57 0.00 0.00 54.79 56.78 3dur n ASP 86 Cb 0.05 -0.21 -0.03 0.00 1.84 0.00 0.00 41.12 42.77 3dur n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3dur s SER 87 N -2.55 6.52 -0.05 -2.24 0.01 -0.93 -4.89 113.70 109.57 3dur s SER 87 Ca 0.28 2.63 -0.31 0.00 1.31 0.00 0.00 55.95 59.86 3dur s SER 87 Cb 0.20 -2.57 0.12 0.00 0.21 0.00 0.00 66.02 63.99 3dur s SER 87 CO 0.47 -0.94 1.26 0.00 0.41 0.00 0.00 173.24 174.44 3dur s ALA 88 N 2.53 -2.18 -0.09 1.44 0.00 -0.27 -4.31 121.76 118.88 3dur s ALA 88 Ca 0.77 0.88 -0.25 0.00 0.00 0.00 0.00 51.96 53.36 3dur s ALA 88 Cb -0.43 0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.92 3dur s ALA 88 CO 0.34 -0.95 0.77 0.99 0.00 0.00 0.00 175.76 176.91 3dur s THR 89 N -2.45 4.98 -0.23 0.00 2.01 -0.43 -0.89 115.64 118.63 3dur s THR 89 Ca 0.13 1.56 -0.10 0.00 0.31 0.00 0.00 61.69 63.59 3dur s THR 89 Cb 0.03 -4.10 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 3dur s THR 89 CO -0.04 0.17 0.15 -0.31 -0.69 0.00 0.00 174.62 173.90 3dur s TYR 90 N 1.23 3.32 -0.01 4.92 1.51 0.10 -0.39 117.35 128.03 3dur s TYR 90 Ca 0.39 0.21 0.02 0.00 -1.01 0.00 0.00 57.07 56.68 3dur s TYR 90 Cb -0.18 -2.24 -0.03 0.00 -0.11 0.00 0.00 41.96 39.40 3dur s TYR 90 CO 0.18 0.09 -0.05 0.71 -1.11 0.00 0.00 175.55 175.37 3dur s TYR 91 N 0.93 2.95 0.08 2.71 2.02 0.12 -1.47 117.35 124.69 3dur s TYR 91 Ca 0.07 0.01 0.02 0.00 -0.37 0.00 0.00 57.07 56.80 3dur s TYR 91 Cb -0.13 -1.64 -0.04 0.00 -0.40 0.00 0.00 41.96 39.75 3dur s TYR 91 CO 0.03 0.40 0.12 0.00 -1.57 0.00 0.00 175.55 174.53 3dur s ALA 93 N -1.44 -0.53 0.32 0.00 0.00 -0.41 -1.50 121.76 118.19 3dur s ALA 93 Ca 0.31 0.79 -0.29 0.00 0.00 0.00 0.00 51.96 52.77 3dur s ALA 93 Cb -0.12 -0.49 -0.10 0.00 0.00 0.00 0.00 23.12 22.41 3dur s ALA 93 CO 0.24 -0.15 1.27 0.50 0.00 0.00 0.00 175.76 177.62 3dur s ARG 94 N 0.68 4.41 0.31 0.00 3.52 0.01 -1.05 118.95 126.84 3dur s ARG 94 Ca -0.05 2.13 -0.04 0.00 -0.13 0.00 0.00 55.73 57.65 3dur s ARG 94 Cb -0.06 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.23 3dur s ARG 94 CO -0.04 -0.11 0.43 0.34 -0.81 0.00 0.00 175.30 175.11 3dur s ASP 95 N -0.54 0.69 0.00 -2.12 -1.08 -0.41 -2.29 116.67 110.93 3dur s ASP 95 Ca 0.48 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 51.12 3dur s ASP 95 Cb -0.38 0.62 0.00 0.00 -1.46 0.00 0.00 42.92 41.70 3dur s ASP 95 CO 0.50 -1.22 0.00 0.61 0.52 0.00 0.00 175.17 175.59 3dur n GLY 96 N -0.51 -0.46 5.00 2.66 0.00 -1.25 -1.51 105.19 109.11 3dur n GLY 96 Ca 0.01 0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.31 1.61 4.01 -1.26 -2.03 117.16 119.80 3dur n TYR 97 Ca 0.00 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.77 3dur n TYR 97 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.02 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 2.69 -4.12 -0.72 0.00 -1.26 -4.99 120.51 112.11 3dur n ALA 98 Ca 0.00 -0.36 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 3dur n ALA 98 Cb 0.00 -0.24 -0.02 0.00 0.00 0.00 0.00 19.45 19.18 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 -0.43 -2.35 -3.76 0.00 8.00 -0.86 -4.95 116.55 112.20 3dur n ASP 99 Ca 0.03 -1.00 -0.10 0.00 0.71 0.00 0.00 54.79 54.43 3dur n ASP 99 Cb 0.14 -2.91 -0.04 0.00 -0.02 0.00 0.00 41.12 38.29 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 -3.53 -0.81 -0.43 2.24 0.00 -1.25 -5.00 121.76 112.98 3dur s ALA 100 Ca 0.48 -0.29 -0.14 0.00 0.00 0.00 0.00 51.96 52.01 3dur s ALA 100 Cb -0.26 0.84 0.05 0.00 0.00 0.00 0.00 23.12 23.75 3dur s ALA 100 CO 0.91 -0.77 0.32 -1.64 0.00 0.00 0.00 175.76 174.58 3dur s MET 100 N -3.88 2.89 0.06 0.00 -1.94 -1.26 -3.93 119.30 111.24 3dur s MET 100 Ca 0.10 -1.24 0.22 0.00 -1.71 0.00 0.00 55.69 53.06 3dur s MET 100 Cb -0.00 -3.97 -0.12 0.00 2.01 0.00 0.00 34.83 32.74 3dur s MET 100 CO -0.03 -0.89 0.82 -0.40 -0.01 0.00 0.00 175.02 174.50 3dur n ASP 100 N 5.11 0.47 -3.91 3.03 3.85 -0.97 -4.89 116.55 119.24 3dur n ASP 100 Ca -0.12 -0.05 -0.16 0.00 -0.71 0.00 0.00 54.79 53.76 3dur n ASP 100 Cb 0.45 1.16 -0.15 0.00 -1.35 0.00 0.00 41.12 41.23 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 -3.35 0.39 0.06 2.11 2.02 -1.26 -5.03 117.35 112.29 3dur s TYR 100 Ca -0.01 -0.07 0.05 0.00 -0.37 0.00 0.00 57.07 56.67 3dur s TYR 100 Cb 0.13 -0.31 -0.03 0.00 -0.40 0.00 0.00 41.96 41.36 3dur s TYR 100 CO 0.84 -0.05 -0.13 -1.58 -1.57 0.00 0.00 175.55 173.07 3dur s TRP 101 N 0.21 1.13 0.10 2.71 0.52 -1.26 -0.81 118.94 121.53 3dur s TRP 101 Ca -0.02 -0.43 -0.01 0.00 0.02 0.00 0.00 56.10 55.66 3dur s TRP 101 Cb -0.05 -0.65 0.02 0.00 -1.15 0.00 0.00 33.47 31.64 3dur s TRP 101 CO -0.00 0.03 0.13 0.41 0.02 0.00 0.00 176.95 177.54 3dur n GLY 102 N 1.51 -0.56 0.09 0.98 0.00 -0.56 -4.69 105.19 101.96 3dur n GLY 102 Ca -0.20 -1.77 0.12 0.00 0.00 0.00 0.00 46.02 44.17 3dur n GLY 102 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dur n GLN 103 N -1.27 0.29 0.00 1.61 1.13 -1.25 -4.88 117.38 113.01 3dur n GLN 103 Ca 0.02 -0.18 0.00 0.00 -1.94 0.00 0.00 57.00 54.90 3dur n GLN 103 Cb 0.06 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.92 3dur n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3dur n GLY 104 N 1.45 -0.09 3.24 1.08 0.00 -1.26 -5.04 105.19 104.57 3dur n GLY 104 Ca 0.08 -1.60 -0.20 0.00 0.00 0.00 0.00 46.02 44.30 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 -2.96 1.42 -0.18 2.61 -4.23 -0.54 -4.72 115.64 107.04 3dur s THR 105 Ca 0.00 -1.56 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 3dur s THR 105 Cb 0.00 -1.42 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 3dur s THR 105 CO 0.00 -0.25 0.12 -0.55 -0.54 0.00 0.00 174.62 173.40 3dur s SER 106 N -2.10 6.14 -0.13 3.99 0.15 -1.26 0.00 113.70 120.49 3dur s SER 106 Ca 0.05 0.26 0.01 0.00 0.70 0.00 0.00 55.95 56.97 3dur s SER 106 Cb -0.08 -2.05 0.02 0.00 -1.71 0.00 0.00 66.02 62.20 3dur s SER 106 CO 0.03 0.23 -0.15 -0.69 1.20 0.00 0.00 173.24 173.87 3dur s VAL 107 N 0.04 1.57 -0.14 4.45 1.01 -0.07 -2.58 120.40 124.68 3dur s VAL 107 Ca 0.09 -0.65 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3dur s VAL 107 Cb -0.11 -1.45 -0.02 0.00 0.00 0.00 0.00 36.38 34.79 3dur s VAL 107 CO -0.00 0.46 -0.11 -0.89 0.00 0.00 0.00 175.10 174.56 3dur s THR 108 N 1.28 3.28 -0.25 3.92 2.01 -0.82 -1.11 115.64 123.94 3dur s THR 108 Ca 0.00 -0.58 0.02 0.00 0.31 0.00 0.00 61.69 61.44 3dur s THR 108 Cb -0.14 -2.39 0.05 0.00 0.01 0.00 0.00 72.50 70.03 3dur s THR 108 CO -0.07 0.52 -0.11 -0.69 -0.69 0.00 0.00 174.62 173.58 3dur s VAL 109 N 0.36 2.27 -0.16 3.82 1.01 -1.26 -1.19 120.40 125.25 3dur s VAL 109 Ca -0.09 -1.49 -0.07 0.00 0.00 0.00 0.00 61.98 60.32 3dur s VAL 109 Cb -0.15 -2.28 0.06 0.00 0.00 0.00 0.00 36.38 34.01 3dur s VAL 109 CO 0.05 0.05 0.36 -0.55 0.00 0.00 0.00 175.10 175.01 3dur s SER 110 N 1.15 -0.33 0.00 3.32 0.15 -0.14 -4.58 113.70 113.27 3dur s SER 110 Ca -0.06 0.79 0.17 0.00 0.70 0.00 0.00 55.95 57.55 3dur s SER 110 Cb -0.19 0.77 1.00 0.00 -1.71 0.00 0.00 66.02 65.89 3dur s SER 110 CO -0.06 -0.20 1.41 -1.20 1.20 0.00 0.00 173.24 174.39