#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dus s VAL 2 N 0.00 2.04 -0.03 6.31 1.01 -1.25 -3.89 120.40 124.58 3dus s VAL 2 Ca 0.00 0.04 -0.02 0.00 0.00 0.00 0.00 61.98 62.00 3dus s VAL 2 Cb 0.00 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.37 3dus s VAL 2 CO 0.00 0.01 0.07 -0.54 0.00 0.00 0.00 175.10 174.64 3dus s LYS 3 N -1.16 0.06 -0.04 2.72 1.02 -0.03 -4.95 119.74 117.36 3dus s LYS 3 Ca 0.59 0.14 -0.00 0.00 0.02 0.00 0.00 55.97 56.72 3dus s LYS 3 Cb -0.47 -0.03 0.03 0.00 -0.52 0.00 0.00 37.83 36.83 3dus s LYS 3 CO 0.54 -0.05 0.01 -0.51 -0.92 0.00 0.00 175.35 174.42 3dus s LEU 4 N 0.34 0.86 -0.06 3.17 1.43 -1.26 -2.21 118.68 120.95 3dus s LEU 4 Ca -0.03 -0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.07 3dus s LEU 4 Cb -0.04 -0.26 0.01 0.00 0.03 0.00 0.00 46.19 45.93 3dus s LEU 4 CO -0.01 -0.15 -0.12 -0.69 0.23 0.00 0.00 176.35 175.61 3dus s VAL 5 N 1.44 1.09 0.10 -1.59 1.01 -0.20 -3.86 120.40 118.38 3dus s VAL 5 Ca -0.04 -0.46 0.05 0.00 0.00 0.00 0.00 61.98 61.53 3dus s VAL 5 Cb -0.13 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.21 3dus s VAL 5 CO -0.03 0.34 0.00 -1.61 0.00 0.00 0.00 175.10 173.81 3dus s GLU 6 N 0.63 2.54 0.14 2.72 8.01 -1.26 -0.09 118.70 131.39 3dus s GLU 6 Ca -0.14 -0.86 -0.24 0.00 0.01 0.00 0.00 54.97 53.75 3dus s GLU 6 Cb -0.15 -2.53 0.07 0.00 -4.31 0.00 0.00 34.13 27.21 3dus s GLU 6 CO 0.03 0.53 0.64 -1.54 0.01 0.00 0.00 175.26 174.93 3dus s SER 7 N -2.37 -0.54 0.00 -0.19 1.04 -0.75 -4.73 113.70 106.16 3dus s SER 7 Ca 0.26 -0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.68 3dus s SER 7 Cb -0.11 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3dus s SER 7 CO 0.18 -0.94 0.00 0.61 0.98 0.00 0.00 173.24 174.08 3dus n GLY 8 N -0.37 1.90 3.44 7.32 0.00 -1.26 -1.86 105.19 114.36 3dus n GLY 8 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 3dus n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3dus s GLY 9 N -1.62 1.50 0.00 -0.02 0.00 -1.26 -4.85 107.32 101.07 3dus s GLY 9 Ca 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 44.72 44.28 3dus s GLY 9 CO 0.00 0.39 0.00 0.61 0.00 0.00 0.00 173.10 174.10 3dus n GLY 10 N 0.74 -0.24 3.77 0.20 0.00 -0.49 -4.94 105.19 104.24 3dus n GLY 10 Ca 0.06 -1.67 -0.41 0.00 0.00 0.00 0.00 46.02 44.01 3dus n GLY 10 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3dus s LEU 11 N 0.00 4.37 -0.15 0.99 2.96 -1.26 -3.14 118.68 122.45 3dus s LEU 11 Ca 0.00 2.80 -0.22 0.00 -0.22 0.00 0.00 54.13 56.49 3dus s LEU 11 Cb 0.00 -3.68 0.05 0.00 0.50 0.00 0.00 46.19 43.06 3dus s LEU 11 CO 0.00 -0.68 0.56 0.68 -1.32 0.00 0.00 176.35 175.60 3dus s VAL 12 N -1.15 0.01 0.12 1.68 -7.23 -0.67 -4.98 120.40 108.18 3dus s VAL 12 Ca 0.51 -0.07 -0.21 0.00 -1.81 0.00 0.00 61.98 60.41 3dus s VAL 12 Cb -0.42 -0.83 -0.07 0.00 0.56 0.00 0.00 36.38 35.63 3dus s VAL 12 CO 0.56 -0.04 0.64 0.00 -0.31 0.00 0.00 175.10 175.95 3dus s GLN 13 N -0.29 4.29 0.35 4.82 1.03 -1.21 0.31 119.66 128.96 3dus s GLN 13 Ca -0.05 0.85 -0.28 0.00 0.04 0.00 0.00 55.36 55.92 3dus s GLN 13 Cb -0.03 -3.19 -0.12 0.00 0.03 0.00 0.00 33.01 29.70 3dus s GLN 13 CO 0.03 0.59 1.35 -2.30 -2.54 0.00 0.00 175.29 172.42 3dus n PRO 14 N 1.53 2.30 0.00 9.60 -0.02 -1.26 -3.44 135.00 143.70 3dus n PRO 14 Ca -0.08 0.81 0.00 0.00 -2.02 0.00 0.00 63.50 62.21 3dus n PRO 14 Cb 0.50 -2.43 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 3dus n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dus n GLY 15 N 0.67 1.42 0.00 -1.23 0.00 0.19 -4.87 105.19 101.37 3dus n GLY 15 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 3dus n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dus n GLY 16 N -1.62 -0.19 3.15 -0.02 0.00 -1.22 -3.80 105.19 101.48 3dus n GLY 16 Ca 0.00 -1.63 -0.17 0.00 0.00 0.00 0.00 46.02 44.22 3dus n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dus s SER 17 N -1.00 1.52 -0.12 1.61 0.01 -1.26 -0.70 113.70 113.76 3dus s SER 17 Ca 0.00 -0.63 -0.10 0.00 1.31 0.00 0.00 55.95 56.53 3dus s SER 17 Cb 0.00 -0.03 0.03 0.00 0.21 0.00 0.00 66.02 66.23 3dus s SER 17 CO 0.00 -0.12 0.30 -0.22 0.41 0.00 0.00 173.24 173.62 3dus s LEU 18 N -1.80 0.75 -0.30 2.44 2.96 -0.54 -5.00 118.68 117.18 3dus s LEU 18 Ca -0.02 0.62 -0.04 0.00 -0.22 0.00 0.00 54.13 54.47 3dus s LEU 18 Cb -0.09 1.03 0.04 0.00 0.50 0.00 0.00 46.19 47.67 3dus s LEU 18 CO 0.02 -0.12 0.03 -0.60 -1.32 0.00 0.00 176.35 174.36 3dus s ARG 19 N 0.34 2.60 0.20 1.98 3.52 -1.26 -0.77 118.95 125.54 3dus s ARG 19 Ca -0.01 -1.17 -0.12 0.00 -0.13 0.00 0.00 55.73 54.30 3dus s ARG 19 Cb -0.03 -3.25 -0.07 0.00 -1.56 0.00 0.00 34.95 30.03 3dus s ARG 19 CO -0.01 -0.59 0.56 -0.51 -0.81 0.00 0.00 175.30 173.94 3dus s LEU 20 N 1.33 4.24 0.03 -0.88 1.02 -0.57 -4.70 118.68 119.15 3dus s LEU 20 Ca -0.03 1.02 0.05 0.00 0.02 0.00 0.00 54.13 55.19 3dus s LEU 20 Cb -0.19 -3.51 -0.02 0.00 0.02 0.00 0.00 46.19 42.49 3dus s LEU 20 CO -0.00 0.00 -0.16 -0.44 0.02 0.00 0.00 176.35 175.77 3dus s SER 21 N -2.04 1.89 -0.27 2.29 0.01 -0.78 -1.43 113.70 113.37 3dus s SER 21 Ca 0.43 -0.44 -0.01 0.00 1.31 0.00 0.00 55.95 57.24 3dus s SER 21 Cb -0.13 -0.15 0.08 0.00 0.21 0.00 0.00 66.02 66.04 3dus s SER 21 CO 0.20 0.09 0.06 0.00 0.41 0.00 0.00 173.24 174.00 3dus s ALA 23 N 1.66 3.35 0.05 0.00 0.00 0.87 -0.71 121.76 126.97 3dus s ALA 23 Ca 0.05 0.55 0.01 0.00 0.00 0.00 0.00 51.96 52.57 3dus s ALA 23 Cb -0.17 -3.14 -0.03 0.00 0.00 0.00 0.00 23.12 19.77 3dus s ALA 23 CO -0.18 0.23 -0.06 0.95 0.00 0.00 0.00 175.76 176.69 3dus s THR 24 N -1.22 0.45 0.09 0.00 -4.23 -1.02 -1.04 115.64 108.67 3dus s THR 24 Ca 0.41 -1.27 -0.27 0.00 -1.18 0.00 0.00 61.69 59.38 3dus s THR 24 Cb -0.24 -0.81 0.08 0.00 1.34 0.00 0.00 72.50 72.86 3dus s THR 24 CO 0.30 -0.55 1.04 -0.94 -0.54 0.00 0.00 174.62 173.92 3dus s SER 25 N -1.94 -0.17 0.00 3.99 1.04 -0.94 -4.86 113.70 110.82 3dus s SER 25 Ca -0.06 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.08 3dus s SER 25 Cb -0.06 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.46 3dus s SER 25 CO -0.02 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.10 3dus n GLY 26 N -0.44 0.53 3.59 7.32 0.00 -1.25 -0.85 105.19 114.08 3dus n GLY 26 Ca -0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 46.02 45.11 3dus n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3dus s PHE 27 N -2.00 -0.20 -0.73 1.61 -0.71 -1.26 -3.95 117.98 110.74 3dus s PHE 27 Ca 0.00 0.22 -0.26 0.00 -1.04 0.00 0.00 56.93 55.86 3dus s PHE 27 Cb 0.00 0.50 -0.07 0.00 -1.21 0.00 0.00 43.02 42.24 3dus s PHE 27 CO 0.00 -0.25 2.15 0.99 -1.34 0.00 0.00 175.22 176.76 3dus s THR 28 N -1.97 3.22 0.27 -4.49 2.01 -1.26 -4.82 115.64 108.59 3dus s THR 28 Ca 0.06 -0.07 -0.02 0.00 0.31 0.00 0.00 61.69 61.97 3dus s THR 28 Cb -0.01 -3.52 0.30 0.00 0.01 0.00 0.00 72.50 69.28 3dus s THR 28 CO -0.04 -0.50 1.64 0.15 -0.69 0.00 0.00 174.62 175.17 3dus h PHE 29 N 14.16 0.13 -0.37 4.92 3.57 -1.95 -0.82 116.94 136.58 3dus h PHE 29 Ca -0.08 0.05 -0.17 0.00 3.53 0.00 0.00 57.97 61.31 3dus h PHE 29 Cb 1.09 0.07 -0.10 0.00 2.79 0.00 0.00 35.95 39.81 3dus h PHE 29 CO 1.11 -0.24 0.21 0.25 -2.23 0.00 0.00 178.31 177.41 3dus n THR 30 N -5.30 1.73 0.08 4.41 -2.24 -1.26 -3.04 114.28 108.66 3dus n THR 30 Ca 0.18 -0.72 0.01 0.00 -2.27 0.00 0.00 64.05 61.24 3dus n THR 30 Cb 0.59 -0.72 -0.01 0.00 -2.10 0.00 0.00 70.33 68.09 3dus n THR 30 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3dus n ASP 31 N -0.08 0.20 -4.35 3.42 9.92 -0.31 -2.81 116.55 122.54 3dus n ASP 31 Ca 0.21 -0.60 -0.26 0.00 -0.53 0.00 0.00 54.79 53.61 3dus n ASP 31 Cb 0.90 0.89 -0.12 0.00 -0.64 0.00 0.00 41.12 42.15 3dus n ASP 31 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 3dus s TYR 32 N -1.05 2.07 0.97 1.24 2.02 -1.17 -4.82 117.35 116.60 3dus s TYR 32 Ca 0.01 -0.40 -0.12 0.00 -0.37 0.00 0.00 57.07 56.19 3dus s TYR 32 Cb 0.01 -1.10 0.17 0.00 -0.40 0.00 0.00 41.96 40.64 3dus s TYR 32 CO 0.07 0.32 1.09 0.71 -1.57 0.00 0.00 175.55 176.17 3dus s TYR 33 N -1.32 2.17 -0.19 2.71 1.51 0.13 -4.12 117.35 118.24 3dus s TYR 33 Ca 0.13 1.07 -0.04 0.00 -1.01 0.00 0.00 57.07 57.22 3dus s TYR 33 Cb -0.09 -3.23 0.08 0.00 -0.11 0.00 0.00 41.96 38.61 3dus s TYR 33 CO 0.06 -2.73 0.17 -1.64 -1.11 0.00 0.00 175.55 170.30 3dus s MET 34 N -4.96 0.14 0.22 -0.62 -1.94 -0.95 -1.87 119.30 109.32 3dus s MET 34 Ca 0.65 0.09 0.04 0.00 -1.71 0.00 0.00 55.69 54.77 3dus s MET 34 Cb -0.18 -1.45 -0.03 0.00 2.01 0.00 0.00 34.83 35.18 3dus s MET 34 CO 0.57 -0.66 0.33 -1.12 -0.01 0.00 0.00 175.02 174.13 3dus s SER 35 N 2.25 6.27 -0.14 3.03 0.01 -0.46 -2.07 113.70 122.60 3dus s SER 35 Ca 0.05 0.07 0.01 0.00 1.31 0.00 0.00 55.95 57.40 3dus s SER 35 Cb -0.16 -1.84 -0.00 0.00 0.21 0.00 0.00 66.02 64.23 3dus s SER 35 CO -0.11 -0.04 -0.17 0.26 0.41 0.00 0.00 173.24 173.59 3dus s TRP 36 N -1.93 2.73 -0.09 2.43 0.52 -0.79 -1.28 118.94 120.53 3dus s TRP 36 Ca 0.34 -1.00 0.02 0.00 0.02 0.00 0.00 56.10 55.48 3dus s TRP 36 Cb -0.09 -1.84 0.01 0.00 -1.15 0.00 0.00 33.47 30.40 3dus s TRP 36 CO 0.29 -0.43 -0.15 0.08 0.02 0.00 0.00 176.95 176.76 3dus s VAL 37 N 0.63 1.42 0.43 4.03 1.01 0.12 -0.99 120.40 127.05 3dus s VAL 37 Ca -0.09 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.34 3dus s VAL 37 Cb -0.16 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 34.92 3dus s VAL 37 CO 0.03 0.42 0.38 0.00 0.00 0.00 0.00 175.10 175.93 3dus s ARG 38 N 0.77 2.48 -0.30 2.72 1.70 -0.08 0.66 118.95 126.89 3dus s ARG 38 Ca -0.12 -1.61 0.05 0.00 -0.47 0.00 0.00 55.73 53.59 3dus s ARG 38 Cb -0.16 -2.33 0.19 0.00 -0.57 0.00 0.00 34.95 32.09 3dus s ARG 38 CO 0.02 -0.25 0.56 -1.14 -1.08 0.00 0.00 175.30 173.41 3dus s GLN 39 N -4.15 0.55 0.38 3.89 0.74 -0.35 -0.92 119.66 119.81 3dus s GLN 39 Ca 0.47 0.43 -0.28 0.00 0.05 0.00 0.00 55.36 56.03 3dus s GLN 39 Cb -0.03 0.15 -0.11 0.00 1.10 0.00 0.00 33.01 34.12 3dus s GLN 39 CO 0.27 -1.06 1.49 -2.30 -0.55 0.00 0.00 175.29 173.15 3dus n PRO 40 N 5.35 2.68 -1.66 1.67 -0.02 -1.26 -1.61 135.00 140.15 3dus n PRO 40 Ca 0.05 0.94 -0.55 0.00 -2.02 0.00 0.00 63.50 61.92 3dus n PRO 40 Cb 0.53 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.26 3dus n PRO 40 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 3dus n PRO 41 N 0.40 1.19 -0.94 0.52 -0.02 -1.26 -0.56 135.00 134.33 3dus n PRO 41 Ca 0.01 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.93 3dus n PRO 41 Cb 0.39 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.76 3dus n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3dus n GLY 42 N 3.50 0.96 3.75 -1.23 0.00 -1.26 -5.01 105.19 105.89 3dus n GLY 42 Ca 0.23 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 3dus n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dus s LYS 43 N -0.06 2.18 1.17 1.61 1.02 0.27 -5.14 119.74 120.79 3dus s LYS 43 Ca 0.00 -2.00 -0.19 0.00 0.02 0.00 0.00 55.97 53.80 3dus s LYS 43 Cb 0.00 -1.87 0.28 0.00 -0.52 0.00 0.00 37.83 35.72 3dus s LYS 43 CO 0.00 -0.21 1.15 0.00 -0.92 0.00 0.00 175.35 175.37 3dus s ALA 44 N -2.69 0.88 0.17 5.17 0.00 -1.26 -4.61 121.76 119.42 3dus s ALA 44 Ca 0.33 -1.04 -0.24 0.00 0.00 0.00 0.00 51.96 51.01 3dus s ALA 44 Cb 0.04 -2.85 -0.08 0.00 0.00 0.00 0.00 23.12 20.23 3dus s ALA 44 CO 0.18 -3.44 0.76 -0.51 0.00 0.00 0.00 175.76 172.75 3dus s LEU 45 N -6.78 4.55 -0.10 0.00 1.43 -1.26 -4.32 118.68 112.19 3dus s LEU 45 Ca 0.72 1.59 0.01 0.00 -1.03 0.00 0.00 54.13 55.42 3dus s LEU 45 Cb -0.08 -3.32 0.02 0.00 0.03 0.00 0.00 46.19 42.84 3dus s LEU 45 CO 0.55 0.18 -0.10 -0.70 0.23 0.00 0.00 176.35 176.52 3dus s GLU 46 N -1.28 1.66 0.56 1.70 2.12 -0.09 -4.99 118.70 118.38 3dus s GLU 46 Ca 0.37 -0.34 -0.19 0.00 0.36 0.00 0.00 54.97 55.16 3dus s GLU 46 Cb -0.22 -1.56 -0.05 0.00 0.26 0.00 0.00 34.13 32.56 3dus s GLU 46 CO 0.25 -0.15 1.16 -0.46 -0.54 0.00 0.00 175.26 175.52 3dus s TRP 47 N 1.29 2.55 0.00 5.30 -0.00 -1.26 -0.91 118.94 125.91 3dus s TRP 47 Ca -0.02 1.53 0.00 0.00 -0.00 0.00 0.00 56.10 57.61 3dus s TRP 47 Cb -0.14 -3.37 0.00 0.00 -0.00 0.00 0.00 33.47 29.96 3dus s TRP 47 CO -0.04 -1.86 0.00 1.28 -0.00 0.00 0.00 176.95 176.34 3dus n LEU 48 N -1.43 0.41 0.00 5.86 4.77 -0.16 -4.79 117.00 121.66 3dus n LEU 48 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.10 3dus n LEU 48 Cb 0.50 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3dus n LEU 48 CO 0.43 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.17 3dus n GLY 49 N 2.65 4.31 2.90 -0.72 0.00 -1.24 -0.94 105.19 112.14 3dus n GLY 49 Ca 0.00 -1.18 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 3dus n GLY 49 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3dus n PHE 50 N -1.76 0.75 -3.79 1.61 1.16 -1.06 -1.89 117.46 112.48 3dus n PHE 50 Ca 0.00 -2.06 -0.23 0.00 -1.87 0.00 0.00 57.45 53.29 3dus n PHE 50 Cb 0.00 -0.21 -0.17 0.00 -1.61 0.00 0.00 39.48 37.49 3dus n PHE 50 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 3dus s ILE 51 N -2.56 0.43 1.10 1.97 2.07 -0.88 -1.71 121.20 121.62 3dus s ILE 51 Ca 0.04 0.09 -0.13 0.00 -1.41 0.00 0.00 60.65 59.24 3dus s ILE 51 Cb 0.00 -0.57 0.25 0.00 0.13 0.00 0.00 42.46 42.27 3dus s ILE 51 CO 0.03 0.27 1.05 -0.13 -1.91 0.00 0.00 174.94 174.25 3dus s ARG 52 N 1.93 -0.43 0.00 3.50 0.52 0.12 -2.23 118.95 122.36 3dus s ARG 52 Ca 0.05 0.67 0.00 0.00 -0.52 0.00 0.00 55.73 55.92 3dus s ARG 52 Cb -0.12 -1.62 0.00 0.00 0.52 0.00 0.00 34.95 33.72 3dus s ARG 52 CO -0.05 -3.35 0.00 0.27 0.02 0.00 0.00 175.30 172.19 3dus n ASN 52 N -4.63 0.00 0.07 0.23 6.94 -1.26 -3.84 115.26 112.78 3dus n ASN 52 Ca 0.04 0.00 -0.04 0.00 -0.02 0.00 0.00 54.58 54.56 3dus n ASN 52 Cb 0.56 0.00 -0.02 0.00 -2.36 0.00 0.00 39.78 37.96 3dus n ASN 52 CO 0.00 0.00 0.00 0.50 -1.03 0.00 0.00 177.26 176.73 3dus h LYS 52 N 0.00 -0.23 0.00 -3.83 3.64 -1.84 0.14 116.57 114.45 3dus h LYS 52 Ca 0.00 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3dus h LYS 52 Cb 0.00 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 3dus h LYS 52 CO 0.00 -0.15 0.06 0.00 -2.27 0.00 0.00 179.45 177.09 3dus n ALA 52 N -2.44 0.96 1.01 5.00 0.00 -1.26 -0.52 120.51 123.25 3dus n ALA 52 Ca -0.03 0.17 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3dus n ALA 52 Cb 0.09 -1.19 -0.00 0.00 0.00 0.00 0.00 19.45 18.36 3dus n ALA 52 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3dus n LYS 53 N -2.15 0.15 -0.62 0.00 4.76 -1.25 -4.96 118.16 114.09 3dus n LYS 53 Ca -0.01 -0.11 0.00 0.00 -2.87 0.00 0.00 58.31 55.31 3dus n LYS 53 Cb 0.09 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.78 3dus n LYS 53 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3dus n GLY 54 N 1.49 0.64 2.60 0.72 0.00 0.32 -4.02 105.19 106.94 3dus n GLY 54 Ca 0.05 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.41 3dus n GLY 54 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3dus n TYR 55 N -2.62 -1.45 -0.93 1.61 4.01 0.47 -4.95 117.16 113.31 3dus n TYR 55 Ca 0.00 0.10 -0.29 0.00 -0.16 0.00 0.00 57.90 57.56 3dus n TYR 55 Cb 0.00 -3.11 0.20 0.00 -0.31 0.00 0.00 39.34 36.12 3dus n TYR 55 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 3dus s THR 56 N -2.77 2.12 0.16 -0.72 -4.23 -1.26 -4.47 115.64 104.48 3dus s THR 56 Ca 0.08 0.04 0.06 0.00 -1.18 0.00 0.00 61.69 60.68 3dus s THR 56 Cb -0.04 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.40 3dus s THR 56 CO 0.09 -0.05 -0.13 -0.69 -0.54 0.00 0.00 174.62 173.31 3dus s VAL 57 N -2.77 1.39 0.05 2.29 1.01 -1.26 0.12 120.40 121.23 3dus s VAL 57 Ca 0.66 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.65 3dus s VAL 57 Cb -0.21 -1.81 -0.03 0.00 0.00 0.00 0.00 36.38 34.33 3dus s VAL 57 CO 0.60 -0.60 -0.04 -1.61 0.00 0.00 0.00 175.10 173.45 3dus s GLU 58 N -3.38 0.54 0.01 2.72 0.41 -0.69 -4.99 118.70 113.31 3dus s GLU 58 Ca 0.16 -0.96 -0.04 0.00 -0.41 0.00 0.00 54.97 53.71 3dus s GLU 58 Cb -0.01 0.02 -0.01 0.00 -1.78 0.00 0.00 34.13 32.36 3dus s GLU 58 CO 0.03 -0.05 0.07 0.71 -0.49 0.00 0.00 175.26 175.53 3dus s TYR 59 N -2.64 0.13 0.46 1.61 2.02 -1.26 -2.56 117.35 115.11 3dus s TYR 59 Ca -0.03 -0.29 -0.20 0.00 -0.37 0.00 0.00 57.07 56.18 3dus s TYR 59 Cb -0.01 -0.10 -0.10 0.00 -0.40 0.00 0.00 41.96 41.34 3dus s TYR 59 CO -0.04 -0.25 0.98 -1.54 -1.57 0.00 0.00 175.55 173.13 3dus s SER 60 N -1.41 6.70 0.55 2.29 1.04 -0.12 -4.82 113.70 117.93 3dus s SER 60 Ca -0.15 1.75 0.26 0.00 0.48 0.00 0.00 55.95 58.29 3dus s SER 60 Cb -0.09 -2.54 1.45 0.00 0.10 0.00 0.00 66.02 64.94 3dus s SER 60 CO 0.01 -0.53 2.00 0.00 0.98 0.00 0.00 173.24 175.70 3dus h ALA 61 N 1.68 2.34 -0.16 5.32 0.00 -1.94 0.13 119.26 126.62 3dus h ALA 61 Ca -0.49 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 3dus h ALA 61 Cb 1.19 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 3dus h ALA 61 CO 0.60 -0.60 -0.36 0.66 0.00 0.00 0.00 179.25 179.55 3dus h SER 62 N 0.00 0.35 0.00 0.00 4.64 -1.95 -3.31 113.55 113.29 3dus h SER 62 Ca 0.22 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 3dus h SER 62 Cb 0.94 -0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 62.93 3dus h SER 62 CO -0.00 0.69 -1.34 1.33 -0.87 0.00 0.00 176.83 176.64 3dus n VAL 63 N -4.06 0.01 -1.40 0.95 0.24 -0.79 -4.96 118.33 108.33 3dus n VAL 63 Ca -0.01 -0.17 -0.50 0.00 -2.04 0.00 0.00 64.34 61.62 3dus n VAL 63 Cb 0.46 0.31 -0.11 0.00 -1.47 0.00 0.00 33.84 33.03 3dus n VAL 63 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3dus n LYS 64 N -1.77 0.39 0.00 7.34 4.81 0.38 -0.87 118.16 128.44 3dus n LYS 64 Ca -0.02 0.08 0.00 0.00 -0.87 0.00 0.00 58.31 57.51 3dus n LYS 64 Cb 0.20 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.32 3dus n LYS 64 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dus n GLY 65 N 6.84 3.12 0.09 3.14 0.00 -1.26 -4.89 105.19 112.22 3dus n GLY 65 Ca 0.53 -0.82 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3dus n GLY 65 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3dus h ARG 66 N 0.00 0.17 -6.21 1.61 3.08 -1.32 -3.45 114.38 108.26 3dus h ARG 66 Ca 0.00 -0.10 -0.57 0.00 0.07 0.00 0.00 59.98 59.38 3dus h ARG 66 Cb 0.00 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 3dus h ARG 66 CO 0.00 0.66 -0.23 -0.06 -1.07 0.00 0.00 179.97 179.27 3dus s PHE 67 N -4.06 3.51 -0.01 3.04 0.40 -1.03 -2.66 117.98 117.17 3dus s PHE 67 Ca -0.15 0.74 0.00 0.00 -0.60 0.00 0.00 56.93 56.92 3dus s PHE 67 Cb 0.03 -2.14 0.02 0.00 0.51 0.00 0.00 43.02 41.44 3dus s PHE 67 CO 0.72 0.43 0.01 0.99 0.70 0.00 0.00 175.22 178.06 3dus s THR 68 N -1.58 0.06 -0.12 0.64 2.01 0.41 -4.80 115.64 112.25 3dus s THR 68 Ca 0.39 0.07 0.01 0.00 0.31 0.00 0.00 61.69 62.48 3dus s THR 68 Cb -0.13 -0.13 -0.01 0.00 0.01 0.00 0.00 72.50 72.24 3dus s THR 68 CO 0.21 0.08 -0.16 -0.63 -0.69 0.00 0.00 174.62 173.43 3dus s ILE 69 N 0.60 2.79 0.06 1.82 1.01 -1.26 0.28 121.20 126.50 3dus s ILE 69 Ca -0.05 -0.76 -0.07 0.00 0.00 0.00 0.00 60.65 59.77 3dus s ILE 69 Cb -0.08 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3dus s ILE 69 CO -0.01 0.54 0.14 -0.94 0.00 0.00 0.00 174.94 174.66 3dus s SER 70 N 0.31 0.17 0.15 3.58 1.04 -1.19 -5.00 113.70 112.76 3dus s SER 70 Ca -0.12 -0.60 0.05 0.00 0.48 0.00 0.00 55.95 55.75 3dus s SER 70 Cb -0.16 0.28 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 3dus s SER 70 CO 0.06 -0.61 -0.10 0.00 0.98 0.00 0.00 173.24 173.57 3dus s ARG 71 N -3.24 1.06 -0.56 4.02 1.70 -1.26 -0.65 118.95 120.02 3dus s ARG 71 Ca 0.00 -1.44 -0.03 0.00 -0.47 0.00 0.00 55.73 53.78 3dus s ARG 71 Cb 0.02 -0.64 0.15 0.00 -0.57 0.00 0.00 34.95 33.91 3dus s ARG 71 CO -0.08 0.08 0.38 0.34 -1.08 0.00 0.00 175.30 174.94 3dus s ASP 72 N -3.14 5.31 0.19 -2.89 -1.08 0.58 -4.96 116.67 110.68 3dus s ASP 72 Ca 0.16 -2.56 0.14 0.00 -0.52 0.00 0.00 52.55 49.77 3dus s ASP 72 Cb 0.02 -1.87 0.73 0.00 -1.46 0.00 0.00 42.92 40.35 3dus s ASP 72 CO 0.01 -0.44 1.44 0.59 0.52 0.00 0.00 175.17 177.28 3dus n ASN 73 N 3.90 0.35 -0.11 -0.34 5.03 -1.26 -0.31 115.26 122.52 3dus n ASN 73 Ca 0.04 0.65 -0.24 0.00 0.87 0.00 0.00 54.58 55.90 3dus n ASN 73 Cb 0.39 -0.70 -0.11 0.00 -1.02 0.00 0.00 39.78 38.34 3dus n ASN 73 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3dus n SER 74 N -1.96 1.97 -0.06 6.41 3.41 -1.26 -4.42 113.62 117.71 3dus n SER 74 Ca -0.00 0.21 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 3dus n SER 74 Cb 0.05 -0.74 0.50 0.00 -0.26 0.00 0.00 64.21 63.76 3dus n SER 74 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dus n GLN 75 N -3.92 0.33 -3.36 4.33 6.02 -1.05 -4.95 117.38 114.78 3dus n GLN 75 Ca -0.46 -0.13 -0.18 0.00 -0.01 0.00 0.00 57.00 56.22 3dus n GLN 75 Cb 0.90 -1.50 0.08 0.00 1.02 0.00 0.00 30.24 30.74 3dus n GLN 75 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dus n SER 76 N -1.22 -3.84 -4.24 1.08 7.64 0.58 -4.84 113.62 108.78 3dus n SER 76 Ca 0.10 -0.51 -0.32 0.00 1.01 0.00 0.00 58.87 59.15 3dus n SER 76 Cb 0.31 -4.55 -0.17 0.00 -1.01 0.00 0.00 64.21 58.79 3dus n SER 76 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3dus s ILE 77 N -3.30 2.09 -0.02 0.44 1.01 -1.14 -2.42 121.20 117.86 3dus s ILE 77 Ca 0.24 -1.02 -0.03 0.00 0.00 0.00 0.00 60.65 59.84 3dus s ILE 77 Cb -0.11 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.54 3dus s ILE 77 CO 0.64 0.56 0.18 -0.22 0.00 0.00 0.00 174.94 176.10 3dus s LEU 78 N 0.19 4.36 0.08 2.97 2.96 0.11 -0.31 118.68 129.04 3dus s LEU 78 Ca -0.14 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.18 3dus s LEU 78 Cb -0.17 -2.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.93 3dus s LEU 78 CO 0.07 0.28 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.89 3dus s TYR 79 N -1.30 1.56 -0.32 5.38 2.02 0.18 -0.22 117.35 124.66 3dus s TYR 79 Ca 0.26 -0.42 -0.00 0.00 -0.37 0.00 0.00 57.07 56.54 3dus s TYR 79 Cb -0.13 -0.88 0.10 0.00 -0.40 0.00 0.00 41.96 40.66 3dus s TYR 79 CO 0.17 0.13 0.10 -1.17 -1.57 0.00 0.00 175.55 173.21 3dus s LEU 80 N -1.68 2.39 -0.61 -1.29 2.96 -0.51 -3.14 118.68 116.80 3dus s LEU 80 Ca 0.04 -1.72 -0.28 0.00 -0.22 0.00 0.00 54.13 51.94 3dus s LEU 80 Cb -0.10 -0.91 0.03 0.00 0.50 0.00 0.00 46.19 45.71 3dus s LEU 80 CO 0.03 -0.41 1.20 -1.58 -1.32 0.00 0.00 176.35 174.28 3dus s GLN 81 N 1.51 3.45 -0.10 1.98 2.00 0.14 -1.50 119.66 127.14 3dus s GLN 81 Ca 0.10 0.13 -0.13 0.00 -2.00 0.00 0.00 55.36 53.47 3dus s GLN 81 Cb -0.18 -4.05 -0.05 0.00 0.80 0.00 0.00 33.01 29.54 3dus s GLN 81 CO -0.23 -1.77 0.31 -1.64 -0.50 0.00 0.00 175.29 171.47 3dus s MET 82 N 5.07 4.00 0.06 1.67 -1.94 0.05 -0.45 119.30 127.76 3dus s MET 82 Ca 0.41 0.18 0.03 0.00 -1.71 0.00 0.00 55.69 54.60 3dus s MET 82 Cb -0.08 -3.32 -0.03 0.00 2.01 0.00 0.00 34.83 33.42 3dus s MET 82 CO 0.23 0.48 -0.10 -0.80 -0.01 0.00 0.00 175.02 174.83 3dus s ASN 82 N -0.31 1.21 -0.40 3.03 0.01 -1.09 -1.46 114.94 115.93 3dus s ASN 82 Ca 0.19 -0.65 -0.19 0.00 -0.71 0.00 0.00 52.86 51.51 3dus s ASN 82 Cb -0.14 0.01 0.03 0.00 0.41 0.00 0.00 41.25 41.56 3dus s ASN 82 CO 0.07 -0.20 0.52 0.41 -1.51 0.00 0.00 177.10 176.40 3dus n THR 82 N 1.15 -9.31 -2.65 1.60 -1.04 0.12 -4.66 114.28 99.49 3dus n THR 82 Ca -0.20 0.82 -0.42 0.00 -2.04 0.00 0.00 64.05 62.20 3dus n THR 82 Cb 0.55 -6.28 -0.03 0.00 -1.82 0.00 0.00 70.33 62.75 3dus n THR 82 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3dus s LEU 82 N -2.40 3.55 0.00 -4.42 2.01 -0.74 -4.76 118.68 111.93 3dus s LEU 82 Ca 0.24 -0.55 0.00 0.00 0.01 0.00 0.00 54.13 53.83 3dus s LEU 82 Cb -0.05 -2.57 0.00 0.00 0.01 0.00 0.00 46.19 43.57 3dus s LEU 82 CO 0.77 -1.68 0.00 0.54 1.01 0.00 0.00 176.35 176.98 3dus n ARG 83 N 8.78 0.76 0.08 1.70 1.74 -1.26 0.56 116.66 129.01 3dus n ARG 83 Ca 0.01 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.94 3dus n ARG 83 Cb 0.48 0.00 -0.14 0.00 -1.02 0.00 0.00 32.46 31.78 3dus n ARG 83 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3dus h ALA 84 N -1.23 0.22 -0.08 7.54 0.00 -1.95 -3.30 119.26 120.46 3dus h ALA 84 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 3dus h ALA 84 Cb 0.00 0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3dus h ALA 84 CO 0.00 1.09 0.00 -0.85 0.00 0.00 0.00 179.25 179.49 3dus n GLU 85 N -3.47 1.43 0.07 0.00 0.00 -1.26 -3.25 120.64 114.16 3dus n GLU 85 Ca -0.13 -0.64 0.12 0.00 0.00 0.00 0.00 57.16 56.52 3dus n GLU 85 Cb 1.03 -1.38 0.25 0.00 0.00 0.00 0.00 31.44 31.34 3dus n GLU 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.13 176.88 3dus n ASP 86 N -0.16 0.71 -4.55 -1.84 10.43 -1.24 -4.79 116.55 115.11 3dus n ASP 86 Ca 0.16 0.24 -0.37 0.00 2.57 0.00 0.00 54.79 57.40 3dus n ASP 86 Cb 0.23 -0.12 -0.03 0.00 1.84 0.00 0.00 41.12 43.04 3dus n ASP 86 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 3dus s SER 87 N -4.23 4.69 0.38 -2.24 0.01 -1.20 -4.85 113.70 106.25 3dus s SER 87 Ca 0.08 0.90 -0.12 0.00 1.31 0.00 0.00 55.95 58.12 3dus s SER 87 Cb 0.13 -2.51 0.05 0.00 0.21 0.00 0.00 66.02 63.90 3dus s SER 87 CO 0.68 -2.72 0.72 0.00 0.41 0.00 0.00 173.24 172.32 3dus n ALA 88 N 14.95 -1.46 -2.64 1.44 0.00 -1.18 -4.34 120.51 127.29 3dus n ALA 88 Ca 0.32 -1.32 -0.38 0.00 0.00 0.00 0.00 53.44 52.07 3dus n ALA 88 Cb 0.54 1.05 -0.09 0.00 0.00 0.00 0.00 19.45 20.95 3dus n ALA 88 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 3dus s THR 89 N -2.26 5.28 -0.29 0.00 2.01 -0.63 -0.75 115.64 118.99 3dus s THR 89 Ca 0.18 0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.43 3dus s THR 89 Cb -0.04 -3.59 -0.04 0.00 0.01 0.00 0.00 72.50 68.84 3dus s THR 89 CO 0.13 0.27 0.18 -0.31 -0.69 0.00 0.00 174.62 174.21 3dus s TYR 90 N 1.42 3.20 -0.14 4.92 1.51 -0.94 -1.21 117.35 126.11 3dus s TYR 90 Ca 0.11 -0.09 -0.05 0.00 -1.01 0.00 0.00 57.07 56.04 3dus s TYR 90 Cb -0.15 -2.38 -0.04 0.00 -0.11 0.00 0.00 41.96 39.29 3dus s TYR 90 CO 0.07 -0.26 0.03 0.71 -1.11 0.00 0.00 175.55 175.00 3dus s TYR 91 N 1.72 3.21 0.02 2.71 2.02 0.21 -2.75 117.35 124.50 3dus s TYR 91 Ca 0.06 0.10 -0.04 0.00 -0.37 0.00 0.00 57.07 56.82 3dus s TYR 91 Cb -0.16 -1.94 -0.04 0.00 -0.40 0.00 0.00 41.96 39.41 3dus s TYR 91 CO 0.09 0.29 0.24 0.00 -1.57 0.00 0.00 175.55 174.61 3dus s ALA 93 N -1.38 -1.00 0.42 0.00 0.00 -0.41 -1.61 121.76 117.78 3dus s ALA 93 Ca 0.30 1.31 -0.26 0.00 0.00 0.00 0.00 51.96 53.31 3dus s ALA 93 Cb -0.13 -0.78 -0.10 0.00 0.00 0.00 0.00 23.12 22.11 3dus s ALA 93 CO 0.20 -0.22 1.43 -2.13 0.00 0.00 0.00 175.76 175.03 3dus n ARG 94 N 3.56 2.36 -4.03 0.00 0.63 -0.51 -1.35 116.66 117.32 3dus n ARG 94 Ca -0.18 0.84 -0.10 0.00 -0.92 0.00 0.00 57.85 57.48 3dus n ARG 94 Cb 0.56 -2.61 -0.05 0.00 0.45 0.00 0.00 32.46 30.81 3dus n ARG 94 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 3dus s ASP 95 N -0.35 0.13 0.00 6.15 -1.08 -0.78 -3.01 116.67 117.72 3dus s ASP 95 Ca 0.58 -1.09 0.00 0.00 -0.52 0.00 0.00 52.55 51.52 3dus s ASP 95 Cb -0.47 0.59 0.00 0.00 -1.46 0.00 0.00 42.92 41.58 3dus s ASP 95 CO 0.60 -1.16 0.00 0.61 0.52 0.00 0.00 175.17 175.74 3dus n GLY 96 N -0.41 0.07 0.76 2.66 0.00 -1.26 0.20 105.19 107.21 3dus n GLY 96 Ca -0.01 -1.29 0.04 0.00 0.00 0.00 0.00 46.02 44.76 3dus n GLY 96 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 3dus n TYR 97 N -1.05 0.58 -0.01 1.61 4.11 -1.26 -1.76 117.16 119.38 3dus n TYR 97 Ca 0.00 -0.23 -0.06 0.00 -0.00 0.00 0.00 57.90 57.61 3dus n TYR 97 Cb 0.00 -0.12 -0.05 0.00 -0.00 0.00 0.00 39.34 39.18 3dus n TYR 97 CO 0.00 0.00 0.00 1.88 -0.00 0.00 0.00 176.86 178.74 3dus h TYR 98 N 1.62 -0.08 -0.13 -3.48 0.05 -1.95 -3.38 116.97 109.62 3dus h TYR 98 Ca 0.00 -0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 3dus h TYR 98 Cb 0.70 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.47 3dus h TYR 98 CO 0.30 0.24 0.00 1.33 -1.05 0.00 0.00 178.16 178.98 3dus n VAL 99 N -4.80 0.83 -4.37 -2.88 0.24 -1.26 -4.99 118.33 101.11 3dus n VAL 99 Ca -0.04 -0.91 -0.36 0.00 -2.04 0.00 0.00 64.34 60.99 3dus n VAL 99 Cb 0.18 0.60 -0.08 0.00 -1.47 0.00 0.00 33.84 33.07 3dus n VAL 99 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 3dus n ASP 100 N 0.00 -0.78 -3.50 -1.34 8.00 -0.72 -4.88 116.55 113.32 3dus n ASP 100 Ca 0.05 -1.21 -0.11 0.00 0.71 0.00 0.00 54.79 54.23 3dus n ASP 100 Cb 0.29 -1.87 -0.03 0.00 -0.02 0.00 0.00 41.12 39.49 3dus n ASP 100 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dus s ALA 100 N -3.77 -1.80 -0.73 2.24 0.00 -1.25 -4.99 121.76 111.47 3dus s ALA 100 Ca 0.42 1.07 -0.27 0.00 0.00 0.00 0.00 51.96 53.19 3dus s ALA 100 Cb -0.24 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.13 3dus s ALA 100 CO 0.99 -0.58 1.27 -1.64 0.00 0.00 0.00 175.76 175.80 3dus s MET 100 N -2.56 3.19 0.00 0.00 -1.94 -1.26 -4.33 119.30 112.41 3dus s MET 100 Ca 0.01 -0.25 0.27 0.00 -1.71 0.00 0.00 55.69 54.00 3dus s MET 100 Cb -0.01 -4.18 0.89 0.00 2.01 0.00 0.00 34.83 33.54 3dus s MET 100 CO -0.05 -2.13 1.66 -0.40 -0.01 0.00 0.00 175.02 174.09 3dus n ASP 101 N 9.31 0.51 -3.79 3.03 3.85 -1.17 -4.82 116.55 123.49 3dus n ASP 101 Ca 0.03 -0.35 -0.13 0.00 -0.71 0.00 0.00 54.79 53.63 3dus n ASP 101 Cb 0.49 0.01 -0.11 0.00 -1.35 0.00 0.00 41.12 40.16 3dus n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.01 0.00 0.00 177.20 175.88 3dus s TYR 102 N -2.74 -0.25 0.10 2.11 2.02 -1.26 -5.02 117.35 112.30 3dus s TYR 102 Ca 0.19 0.60 0.05 0.00 -0.37 0.00 0.00 57.07 57.54 3dus s TYR 102 Cb 0.19 0.09 -0.03 0.00 -0.40 0.00 0.00 41.96 41.80 3dus s TYR 102 CO 0.57 -0.18 -0.13 -1.58 -1.57 0.00 0.00 175.55 172.66 3dus s TRP 103 N -0.14 1.26 0.00 2.71 0.52 -1.26 -1.43 118.94 120.60 3dus s TRP 103 Ca -0.03 -0.54 0.00 0.00 0.02 0.00 0.00 56.10 55.55 3dus s TRP 103 Cb -0.03 -0.68 0.00 0.00 -1.15 0.00 0.00 33.47 31.61 3dus s TRP 103 CO 0.01 0.08 0.00 0.41 0.02 0.00 0.00 176.95 177.47 3dus n GLY 104 N 0.81 0.02 0.13 0.98 0.00 -0.64 -4.69 105.19 101.80 3dus n GLY 104 Ca -0.18 -1.84 -0.22 0.00 0.00 0.00 0.00 46.02 43.79 3dus n GLY 104 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3dus h GLN 105 N 0.00 0.31 0.00 1.61 1.08 -1.90 -3.47 115.11 112.75 3dus h GLN 105 Ca 0.00 -0.54 0.00 0.00 -1.45 0.00 0.00 58.65 56.66 3dus h GLN 105 Cb 0.00 0.20 0.00 0.00 -0.05 0.00 0.00 27.48 27.63 3dus h GLN 105 CO 0.00 1.26 0.00 0.41 -0.95 0.00 0.00 178.83 179.55 3dus n GLY 106 N 1.79 2.39 2.87 3.46 0.00 -1.26 -4.97 105.19 109.47 3dus n GLY 106 Ca -0.24 -1.98 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 3dus n GLY 106 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dus s THR 107 N -2.63 -0.14 0.19 2.61 -4.23 -1.11 -4.73 115.64 105.59 3dus s THR 107 Ca 0.00 0.27 -0.30 0.00 -1.18 0.00 0.00 61.69 60.48 3dus s THR 107 Cb 0.00 -0.25 -0.08 0.00 1.34 0.00 0.00 72.50 73.51 3dus s THR 107 CO 0.00 0.11 1.06 -0.55 -0.54 0.00 0.00 174.62 174.71 3dus s SER 108 N 1.68 7.34 -0.58 3.99 0.15 -1.26 -2.21 113.70 122.80 3dus s SER 108 Ca -0.03 2.06 0.04 0.00 0.70 0.00 0.00 55.95 58.72 3dus s SER 108 Cb -0.12 -2.61 0.14 0.00 -1.71 0.00 0.00 66.02 61.73 3dus s SER 108 CO -0.06 -0.15 0.33 -0.69 1.20 0.00 0.00 173.24 173.88 3dus s VAL 109 N -0.44 2.71 -0.15 4.45 1.01 0.07 -1.40 120.40 126.65 3dus s VAL 109 Ca 0.47 -3.60 -0.21 0.00 0.00 0.00 0.00 61.98 58.64 3dus s VAL 109 Cb -0.29 -2.85 -0.03 0.00 0.00 0.00 0.00 36.38 33.21 3dus s VAL 109 CO 0.35 -0.86 0.60 -0.89 0.00 0.00 0.00 175.10 174.30 3dus s THR 110 N -0.64 5.07 -0.44 3.92 2.01 -1.19 -3.13 115.64 121.25 3dus s THR 110 Ca 0.19 1.17 -0.10 0.00 0.31 0.00 0.00 61.69 63.27 3dus s THR 110 Cb -0.20 -3.93 0.09 0.00 0.01 0.00 0.00 72.50 68.48 3dus s THR 110 CO -0.05 0.19 0.29 -0.69 -0.69 0.00 0.00 174.62 173.68 3dus s VAL 111 N 1.37 4.29 -0.04 3.82 1.01 -1.26 -1.66 120.40 127.93 3dus s VAL 111 Ca 0.30 -1.48 0.02 0.00 0.00 0.00 0.00 61.98 60.81 3dus s VAL 111 Cb -0.16 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.55 3dus s VAL 111 CO 0.12 -0.59 -0.09 -0.44 0.00 0.00 0.00 175.10 174.10 3dus s SER 112 N 2.31 1.27 0.00 3.32 0.01 0.15 -4.85 113.70 115.92 3dus s SER 112 Ca 0.04 -0.20 0.00 0.00 1.31 0.00 0.00 55.95 57.10 3dus s SER 112 Cb -0.24 -0.43 0.00 0.00 0.21 0.00 0.00 66.02 65.56 3dus s SER 112 CO 0.02 0.04 0.46 -1.20 0.41 0.00 0.00 173.24 172.96