#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2duk s ARG 2 N 0.00 3.35 0.08 1.09 0.52 -1.26 -4.20 118.95 118.52 2duk s ARG 2 Ca 0.00 0.60 0.04 0.00 -0.52 0.00 0.00 55.73 55.85 2duk s ARG 2 Cb 0.00 -2.09 -0.03 0.00 0.52 0.00 0.00 34.95 33.35 2duk s ARG 2 CO 0.00 -0.69 -0.10 -0.08 0.02 0.00 0.00 175.30 174.44 2duk s THR 3 N -3.20 0.88 -0.01 0.02 -1.32 -1.22 -4.73 115.64 106.05 2duk s THR 3 Ca 0.55 -1.46 0.03 0.00 -1.21 0.00 0.00 61.69 59.61 2duk s THR 3 Cb -0.11 -1.14 -0.01 0.00 -1.51 0.00 0.00 72.50 69.73 2duk s THR 3 CO 0.52 -0.46 -0.10 -0.31 -2.21 0.00 0.00 174.62 172.07 2duk s TYR 4 N -2.01 0.86 1.10 9.09 2.02 -1.26 -1.67 117.35 125.49 2duk s TYR 4 Ca 0.01 -0.17 -0.17 0.00 -0.37 0.00 0.00 57.07 56.37 2duk s TYR 4 Cb -0.06 -0.56 0.12 0.00 -0.40 0.00 0.00 41.96 41.07 2duk s TYR 4 CO 0.00 -0.02 0.24 -3.47 -1.57 0.00 0.00 175.55 170.74 2duk n ASP 5 N 2.86 -2.18 0.00 2.29 2.03 0.32 -4.86 116.55 117.02 2duk n ASP 5 Ca -0.14 -0.05 0.06 0.00 0.52 0.00 0.00 54.79 55.18 2duk n ASP 5 Cb 0.57 -1.05 0.33 0.00 -0.72 0.00 0.00 41.12 40.25 2duk n ASP 5 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 2duk n ARG 6 N -2.49 0.34 0.00 -0.67 1.85 -1.26 -3.26 116.66 111.17 2duk n ARG 6 Ca 0.02 0.01 0.00 0.00 -1.00 0.00 0.00 57.85 56.89 2duk n ARG 6 Cb 0.59 -1.50 0.00 0.00 -1.05 0.00 0.00 32.46 30.50 2duk n ARG 6 CO 0.00 0.00 0.00 0.39 -0.01 0.00 0.00 177.63 178.01 2duk n GLU 7 N -1.02 0.76 0.00 2.89 1.02 -1.26 -4.98 120.64 118.04 2duk n GLU 7 Ca 0.08 -0.84 0.00 0.00 -0.02 0.00 0.00 57.16 56.38 2duk n GLU 7 Cb 0.04 -0.91 0.00 0.00 -0.02 0.00 0.00 31.44 30.56 2duk n GLU 7 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2duk n GLY 8 N -0.20 0.86 3.68 0.62 0.00 -1.20 -5.07 105.19 103.88 2duk n GLY 8 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 2duk n GLY 8 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2duk s PHE 9 N -2.00 3.41 0.04 1.61 0.08 -1.26 -4.76 117.98 115.10 2duk s PHE 9 Ca 0.00 0.84 -0.30 0.00 0.12 0.00 0.00 56.93 57.58 2duk s PHE 9 Cb 0.00 -2.66 -0.09 0.00 -0.57 0.00 0.00 43.02 39.70 2duk s PHE 9 CO 0.00 -0.04 1.96 1.17 -0.10 0.00 0.00 175.22 178.22 2duk n LYS 10 N 4.50 2.84 -2.40 0.44 3.00 -0.81 0.12 118.16 125.86 2duk n LYS 10 Ca -0.05 1.04 -0.42 0.00 -0.00 0.00 0.00 58.31 58.88 2duk n LYS 10 Cb 0.51 -2.99 -0.03 0.00 0.00 0.00 0.00 35.03 32.52 2duk n LYS 10 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2duk s LYS 11 N 4.33 4.39 0.15 1.64 1.02 -0.67 -1.63 119.74 128.97 2duk s LYS 11 Ca 0.89 1.78 0.06 0.00 0.02 0.00 0.00 55.97 58.72 2duk s LYS 11 Cb -0.45 -3.41 -0.04 0.00 -0.52 0.00 0.00 37.83 33.41 2duk s LYS 11 CO 0.42 -0.34 -0.13 1.03 -0.92 0.00 0.00 175.35 175.42 2duk s ARG 12 N 1.44 1.09 -0.01 1.68 0.52 0.25 -0.39 118.95 123.54 2duk s ARG 12 Ca 0.59 -1.38 0.00 0.00 -0.52 0.00 0.00 55.73 54.43 2duk s ARG 12 Cb -0.29 -0.85 0.01 0.00 0.52 0.00 0.00 34.95 34.34 2duk s ARG 12 CO 0.27 0.14 -0.00 0.00 0.02 0.00 0.00 175.30 175.73 2duk s ALA 13 N -2.70 0.11 0.32 2.13 0.00 0.76 -1.03 121.76 121.35 2duk s ALA 13 Ca 0.14 0.05 0.06 0.00 0.00 0.00 0.00 51.96 52.21 2duk s ALA 13 Cb -0.02 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.97 2duk s ALA 13 CO 0.03 -0.02 0.25 0.00 0.00 0.00 0.00 175.76 176.03 2duk s ALA 14 N 0.31 1.86 -0.30 0.00 0.00 -0.20 -0.15 121.76 123.28 2duk s ALA 14 Ca -0.03 -1.99 -0.14 0.00 0.00 0.00 0.00 51.96 49.81 2duk s ALA 14 Cb -0.04 1.43 0.15 0.00 0.00 0.00 0.00 23.12 24.66 2duk s ALA 14 CO -0.01 -0.64 0.90 0.00 0.00 0.00 0.00 175.76 176.01 2duk s LEU 16 N 2.44 3.74 -0.32 0.00 1.43 0.36 -4.56 118.68 121.77 2duk s LEU 16 Ca -0.04 0.14 -0.23 0.00 -1.03 0.00 0.00 54.13 52.97 2duk s LEU 16 Cb -0.07 -3.23 -0.00 0.00 0.03 0.00 0.00 46.19 42.92 2duk s LEU 16 CO -0.18 -1.28 0.75 0.00 0.23 0.00 0.00 176.35 175.87 2duk s PHE 18 N 2.90 3.11 -0.76 0.00 0.08 0.13 -1.27 117.98 122.16 2duk s PHE 18 Ca 0.30 0.02 0.25 0.00 0.12 0.00 0.00 56.93 57.63 2duk s PHE 18 Cb -0.14 -1.57 0.57 0.00 -0.57 0.00 0.00 43.02 41.31 2duk s PHE 18 CO 0.13 0.51 1.50 -2.13 -0.10 0.00 0.00 175.22 175.13 2duk n ARG 19 N 0.36 0.21 -3.50 0.44 3.00 -1.05 -1.16 116.66 114.96 2duk n ARG 19 Ca -0.09 0.09 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 2duk n ARG 19 Cb 0.52 -1.66 -0.03 0.00 0.00 0.00 0.00 32.46 31.29 2duk n ARG 19 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2duk s SER 20 N -3.97 -0.44 0.65 6.15 0.15 -1.26 -4.80 113.70 110.18 2duk s SER 20 Ca 0.09 -0.12 0.32 0.00 0.70 0.00 0.00 55.95 56.94 2duk s SER 20 Cb 0.14 0.55 1.73 0.00 -1.71 0.00 0.00 66.02 66.73 2duk s SER 20 CO 0.67 -0.92 1.99 -0.33 1.20 0.00 0.00 173.24 175.85 2duk h GLU 21 N 2.15 0.00 0.00 5.44 4.39 -1.99 0.21 114.58 124.78 2duk h GLU 21 Ca -0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2duk h GLU 21 Cb 1.29 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2duk h GLU 21 CO 0.41 0.00 0.00 -0.56 -1.16 0.00 0.00 179.01 177.70 2duk h GLN 22 N 0.00 0.00 -6.08 2.33 3.07 -1.99 -3.46 115.11 108.98 2duk h GLN 22 Ca 0.03 0.00 -0.43 0.00 0.09 0.00 0.00 58.65 58.33 2duk h GLN 22 Cb 0.61 0.00 0.05 0.00 0.08 0.00 0.00 27.48 28.22 2duk h GLN 22 CO -0.00 0.00 -0.75 0.39 0.09 0.00 0.00 178.83 178.56 2duk n GLU 23 N -2.61 -6.31 0.00 0.06 1.02 0.72 -4.92 120.64 108.61 2duk n GLU 23 Ca 0.01 0.69 -0.17 0.00 -0.02 0.00 0.00 57.16 57.67 2duk n GLU 23 Cb 0.22 -5.60 -0.14 0.00 -0.02 0.00 0.00 31.44 25.90 2duk n GLU 23 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 2duk h ASP 24 N -2.24 0.30 -3.17 1.62 5.19 -1.91 -3.46 116.42 112.75 2duk h ASP 24 Ca -0.58 -0.65 -0.62 0.00 -0.62 0.00 0.00 57.03 54.56 2duk h ASP 24 Cb 1.37 -0.10 -0.35 0.00 0.18 0.00 0.00 39.33 40.43 2duk h ASP 24 CO 0.61 1.58 -0.84 -1.61 -3.12 0.00 0.00 179.24 175.86 2duk s GLU 25 N -2.57 2.48 0.00 3.56 2.02 -1.26 -1.04 118.70 121.89 2duk s GLU 25 Ca -0.16 -0.64 0.02 0.00 0.02 0.00 0.00 54.97 54.21 2duk s GLU 25 Cb 0.07 -2.15 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 2duk s GLU 25 CO 0.79 -0.14 -0.02 0.54 0.02 0.00 0.00 175.26 176.46 2duk s VAL 26 N 1.19 4.01 -0.32 2.63 0.11 0.13 -2.52 120.40 125.62 2duk s VAL 26 Ca -0.01 -0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 58.21 2duk s VAL 26 Cb -0.14 -2.78 -0.02 0.00 -1.53 0.00 0.00 36.38 31.91 2duk s VAL 26 CO -0.07 0.37 0.43 -0.22 -3.33 0.00 0.00 175.10 172.28 2duk s LEU 27 N -1.55 4.27 0.19 2.54 2.96 -0.40 -0.17 118.68 126.52 2duk s LEU 27 Ca 0.19 0.03 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 2duk s LEU 27 Cb -0.11 -2.47 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 2duk s LEU 27 CO 0.10 -0.34 0.21 -0.76 -1.32 0.00 0.00 176.35 174.23 2duk s LEU 28 N 2.19 3.99 0.30 -0.68 1.02 -1.04 -4.61 118.68 119.85 2duk s LEU 28 Ca 0.16 -0.06 0.11 0.00 0.02 0.00 0.00 54.13 54.36 2duk s LEU 28 Cb -0.16 -2.57 -0.05 0.00 0.02 0.00 0.00 46.19 43.43 2duk s LEU 28 CO 0.12 0.03 -0.17 0.68 0.02 0.00 0.00 176.35 177.02 2duk s VAL 29 N -1.85 2.42 0.36 -1.59 -7.23 0.30 -0.85 120.40 111.97 2duk s VAL 29 Ca 0.32 -2.36 -0.26 0.00 -1.81 0.00 0.00 61.98 57.88 2duk s VAL 29 Cb -0.10 -2.39 -0.09 0.00 0.56 0.00 0.00 36.38 34.36 2duk s VAL 29 CO 0.26 -0.35 1.12 -0.44 -0.31 0.00 0.00 175.10 175.38 2duk s SER 30 N -3.54 6.80 0.70 4.85 0.01 0.14 0.94 113.70 123.61 2duk s SER 30 Ca 0.31 2.26 -0.16 0.00 1.31 0.00 0.00 55.95 59.67 2duk s SER 30 Cb -0.03 -2.61 0.02 0.00 0.21 0.00 0.00 66.02 63.61 2duk s SER 30 CO 0.15 -0.47 1.22 -0.55 0.41 0.00 0.00 173.24 174.00 2duk s SER 31 N -1.15 4.35 -0.15 2.44 0.15 -0.49 -4.70 113.70 114.15 2duk s SER 31 Ca 0.53 2.41 -0.21 0.00 0.70 0.00 0.00 55.95 59.37 2duk s SER 31 Cb -0.29 -2.59 -0.24 0.00 -1.71 0.00 0.00 66.02 61.19 2duk s SER 31 CO 0.37 -2.16 0.48 -1.28 1.20 0.00 0.00 173.24 171.85 2duk h SER 32 N -0.05 0.14 -0.57 5.45 0.87 -1.94 -3.30 113.55 114.15 2duk h SER 32 Ca -0.48 -0.76 -0.05 0.00 -1.23 0.00 0.00 61.79 59.26 2duk h SER 32 Cb 1.30 -0.04 -0.03 0.00 -0.44 0.00 0.00 62.40 63.19 2duk h SER 32 CO 0.51 1.41 0.17 0.03 -0.53 0.00 0.00 176.83 178.42 2duk h ARG 33 N -0.75 0.93 -2.69 2.24 2.47 -2.02 -3.39 114.38 111.18 2duk h ARG 33 Ca -0.24 -0.19 -0.59 0.00 -1.26 0.00 0.00 59.98 57.70 2duk h ARG 33 Cb 1.39 -0.14 -0.39 0.00 -1.65 0.00 0.00 29.97 29.18 2duk h ARG 33 CO -0.06 0.81 -0.83 0.71 0.56 0.00 0.00 179.97 181.17 2duk s TYR 34 N -5.29 1.28 0.59 3.04 1.51 -1.26 -5.03 117.35 112.20 2duk s TYR 34 Ca -0.10 -2.06 0.29 0.00 -1.01 0.00 0.00 57.07 54.19 2duk s TYR 34 Cb 0.15 -1.28 1.29 0.00 -0.11 0.00 0.00 41.96 42.02 2duk s TYR 34 CO 0.81 -0.80 1.67 -1.00 -1.11 0.00 0.00 175.55 175.12 2duk h PRO 35 N 6.61 0.00 0.00 -1.71 0.13 -1.77 -2.15 132.00 133.11 2duk h PRO 35 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 2duk h PRO 35 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2duk h PRO 35 CO 0.37 0.00 0.00 -3.47 -0.23 0.00 0.00 178.00 174.67 2duk n ASP 36 N -3.55 0.00 -3.44 1.44 -0.08 -1.26 -4.47 116.55 105.19 2duk n ASP 36 Ca 0.15 -1.38 -0.21 0.00 -1.51 0.00 0.00 54.79 51.85 2duk n ASP 36 Cb 1.04 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 44.44 2duk n ASP 36 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2duk n GLN 37 N -0.71 0.58 -4.34 -0.67 6.02 -0.81 -5.02 117.38 112.43 2duk n GLN 37 Ca 0.09 -2.96 -0.24 0.00 -0.01 0.00 0.00 57.00 53.88 2duk n GLN 37 Cb 0.04 1.75 -0.08 0.00 1.02 0.00 0.00 30.24 32.96 2duk n GLN 37 CO 0.00 0.00 0.00 -1.58 -1.01 0.00 0.00 177.06 174.47 2duk s TRP 38 N -2.92 2.58 0.14 1.08 0.52 -1.26 -1.39 118.94 117.69 2duk s TRP 38 Ca 0.21 -0.25 -0.16 0.00 0.02 0.00 0.00 56.10 55.91 2duk s TRP 38 Cb 0.01 -1.16 0.03 0.00 -1.15 0.00 0.00 33.47 31.20 2duk s TRP 38 CO 0.15 0.62 0.43 0.96 0.02 0.00 0.00 176.95 179.12 2duk s ILE 39 N -2.24 0.06 -0.41 2.03 -4.36 0.27 -4.72 121.20 111.83 2duk s ILE 39 Ca 0.30 -0.62 -0.27 0.00 -0.26 0.00 0.00 60.65 59.80 2duk s ILE 39 Cb -0.07 -1.26 0.02 0.00 1.25 0.00 0.00 42.46 42.41 2duk s ILE 39 CO 0.18 -0.27 0.98 -0.69 0.24 0.00 0.00 174.94 175.38 2duk s VAL 40 N -3.82 4.47 0.52 8.37 1.01 -1.26 -0.54 120.40 129.16 2duk s VAL 40 Ca 0.05 1.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.97 2duk s VAL 40 Cb 0.01 -4.42 -0.09 0.00 0.00 0.00 0.00 36.38 31.88 2duk s VAL 40 CO -0.10 -0.70 0.72 -0.81 0.00 0.00 0.00 175.10 174.21 2duk n PRO 41 N 7.10 0.77 0.00 2.72 -0.04 -1.26 -4.84 135.00 139.45 2duk n PRO 41 Ca 0.08 0.29 0.00 0.00 -0.04 0.00 0.00 63.50 63.83 2duk n PRO 41 Cb 0.48 -1.85 0.00 0.00 -0.04 0.00 0.00 33.50 32.10 2duk n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2duk n GLY 42 N 1.55 2.44 3.91 0.55 0.00 -1.26 -3.05 105.19 109.33 2duk n GLY 42 Ca 0.12 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.08 2duk n GLY 42 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2duk s GLY 43 N 0.00 0.08 0.53 -0.02 0.00 0.79 -4.94 107.32 103.76 2duk s GLY 43 Ca 0.00 -0.28 -0.22 0.00 0.00 0.00 0.00 44.72 44.22 2duk s GLY 43 CO 0.00 3.22 1.32 -0.32 0.00 0.00 0.00 173.10 177.31 2duk s GLY 44 N -3.51 2.86 0.18 0.20 0.00 -1.26 -0.17 107.32 105.63 2duk s GLY 44 Ca 0.24 1.25 -0.30 0.00 0.00 0.00 0.00 44.72 45.91 2duk s GLY 44 CO 0.04 1.75 1.05 1.06 0.00 0.00 0.00 173.10 177.01 2duk s MET 45 N -2.89 4.65 0.68 2.90 -1.94 0.48 -4.72 119.30 118.46 2duk s MET 45 Ca 0.71 1.65 -0.08 0.00 -1.71 0.00 0.00 55.69 56.25 2duk s MET 45 Cb -0.38 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.21 2duk s MET 45 CO 0.45 0.18 1.01 -1.21 -0.01 0.00 0.00 175.02 175.44 2duk s GLU 46 N -0.52 2.53 0.11 2.03 2.02 -1.26 -3.44 118.70 120.16 2duk s GLU 46 Ca 0.47 0.01 0.07 0.00 0.02 0.00 0.00 54.97 55.54 2duk s GLU 46 Cb -0.28 -2.15 0.39 0.00 0.10 0.00 0.00 34.13 32.19 2duk s GLU 46 CO 0.34 -1.07 0.44 -2.30 0.02 0.00 0.00 175.26 172.69 2duk n PRO 47 N -2.88 -0.01 -2.75 0.39 -0.02 -1.26 -2.00 135.00 126.46 2duk n PRO 47 Ca 0.07 0.37 -0.07 0.00 -2.02 0.00 0.00 63.50 61.85 2duk n PRO 47 Cb 0.59 -0.69 0.04 0.00 -0.02 0.00 0.00 33.50 33.42 2duk n PRO 47 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2duk n GLU 48 N -3.49 0.69 -3.87 -0.52 2.13 -1.26 -5.03 120.64 109.28 2duk n GLU 48 Ca 0.11 -1.80 -0.33 0.00 0.66 0.00 0.00 57.16 55.80 2duk n GLU 48 Cb 0.39 -1.43 -0.05 0.00 0.27 0.00 0.00 31.44 30.61 2duk n GLU 48 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 2duk s GLU 49 N 0.74 3.47 0.35 5.31 2.02 -0.85 -5.10 118.70 124.65 2duk s GLU 49 Ca 0.31 -0.30 -0.25 0.00 0.02 0.00 0.00 54.97 54.75 2duk s GLU 49 Cb 0.16 -3.07 -0.10 0.00 0.10 0.00 0.00 34.13 31.23 2duk s GLU 49 CO -0.18 0.64 1.00 -1.21 0.02 0.00 0.00 175.26 175.53 2duk s GLU 50 N -2.09 4.42 0.30 1.61 2.02 -1.26 -4.88 118.70 118.82 2duk s GLU 50 Ca 0.30 1.44 0.04 0.00 0.02 0.00 0.00 54.97 56.77 2duk s GLU 50 Cb -0.13 -2.73 0.78 0.00 0.10 0.00 0.00 34.13 32.16 2duk s GLU 50 CO 0.21 0.11 1.62 -1.00 0.02 0.00 0.00 175.26 176.22 2duk h PRO 51 N 2.95 0.14 -0.88 0.39 0.13 -1.99 0.73 132.00 133.47 2duk h PRO 51 Ca -0.47 -0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.70 2duk h PRO 51 Cb 1.20 -0.03 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2duk h PRO 51 CO 0.64 0.09 0.55 0.78 -0.23 0.00 0.00 178.00 179.84 2duk h GLY 52 N 0.14 1.32 0.79 1.56 0.00 -1.95 -1.06 103.07 103.87 2duk h GLY 52 Ca 0.59 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.54 2duk h GLY 52 CO -0.73 0.30 0.13 -1.33 0.00 0.00 0.00 176.54 174.91 2duk h GLY 53 N 1.02 0.41 1.81 4.60 0.00 0.11 -1.95 103.07 109.08 2duk h GLY 53 Ca 0.38 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.50 2duk h GLY 53 CO -0.16 0.06 -0.47 0.00 0.00 0.00 0.00 176.54 175.96 2duk h ALA 54 N 1.18 1.04 0.03 3.60 0.00 -1.15 -1.04 119.26 122.93 2duk h ALA 54 Ca 0.14 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.59 2duk h ALA 54 Cb 0.08 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2duk h ALA 54 CO -0.12 0.63 -0.04 0.00 0.00 0.00 0.00 179.25 179.73 2duk h ALA 55 N 1.34 -0.75 -0.34 0.00 0.00 -0.60 -1.82 119.26 117.09 2duk h ALA 55 Ca 0.01 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.98 2duk h ALA 55 Cb 0.91 0.32 -0.08 0.00 0.00 0.00 0.00 17.79 18.93 2duk h ALA 55 CO 0.07 -0.75 -0.27 0.28 0.00 0.00 0.00 179.25 178.59 2duk h VAL 56 N -0.07 0.33 -0.92 0.00 2.07 -1.35 -2.26 116.25 114.05 2duk h VAL 56 Ca -0.00 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.58 2duk h VAL 56 Cb 0.06 0.33 -0.06 0.00 -1.52 0.00 0.00 31.29 30.10 2duk h VAL 56 CO -0.01 0.00 0.60 -0.09 0.02 0.00 0.00 177.57 178.09 2duk h ARG 57 N -0.22 1.04 0.18 1.57 2.43 -1.20 -2.08 114.38 116.10 2duk h ARG 57 Ca 0.17 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 2duk h ARG 57 Cb 0.49 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2duk h ARG 57 CO -0.47 0.69 -0.09 0.93 -1.51 0.00 0.00 179.97 179.51 2duk h GLU 58 N 1.07 -0.24 -0.60 0.20 4.39 -0.74 -2.29 114.58 116.38 2duk h GLU 58 Ca 0.39 0.02 -0.01 0.00 0.34 0.00 0.00 59.36 60.10 2duk h GLU 58 Cb 0.16 0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.83 2duk h GLU 58 CO -0.14 -0.10 0.35 -0.39 -1.16 0.00 0.00 179.01 177.56 2duk h VAL 59 N -0.31 1.17 0.24 3.13 -1.51 -1.30 0.23 116.25 117.91 2duk h VAL 59 Ca -0.02 -0.41 0.00 0.00 -1.23 0.00 0.00 66.70 65.04 2duk h VAL 59 Cb 0.24 0.34 -0.02 0.00 -2.13 0.00 0.00 31.29 29.72 2duk h VAL 59 CO 0.04 0.19 -0.26 0.22 -1.23 0.00 0.00 177.57 176.53 2duk h TYR 60 N 0.83 -0.69 -0.25 5.19 5.03 -1.24 1.27 116.97 127.11 2duk h TYR 60 Ca 0.22 0.01 -0.10 0.00 2.58 0.00 0.00 58.73 61.43 2duk h TYR 60 Cb -0.01 0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.54 2duk h TYR 60 CO 0.00 -0.37 -0.24 0.93 -1.32 0.00 0.00 178.16 177.16 2duk h GLU 61 N -0.54 0.60 0.00 1.82 5.08 -1.11 -0.94 114.58 119.49 2duk h GLU 61 Ca -0.00 -0.31 -0.09 0.00 -1.00 0.00 0.00 59.36 57.95 2duk h GLU 61 Cb 0.51 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2duk h GLU 61 CO -0.07 0.91 -0.61 0.93 -1.00 0.00 0.00 179.01 179.17 2duk h GLU 62 N 0.32 0.00 0.04 2.33 5.08 -0.55 -1.11 114.58 120.68 2duk h GLU 62 Ca 0.04 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.09 2duk h GLU 62 Cb 0.79 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.01 2duk h GLU 62 CO 0.06 0.67 -1.73 0.00 -1.00 0.00 0.00 179.01 177.01 2duk h ALA 63 N -0.53 0.63 -3.08 3.43 0.00 -1.07 -3.43 119.26 115.21 2duk h ALA 63 Ca -0.14 -1.39 -0.09 0.00 0.00 0.00 0.00 54.91 53.28 2duk h ALA 63 Cb 0.89 0.50 0.05 0.00 0.00 0.00 0.00 17.79 19.23 2duk h ALA 63 CO -0.09 1.47 -0.22 0.41 0.00 0.00 0.00 179.25 180.82 2duk n GLY 64 N 1.67 0.22 3.40 0.00 0.00 0.41 -4.92 105.19 105.97 2duk n GLY 64 Ca -0.20 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.32 2duk n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2duk s VAL 65 N -3.10 0.65 -0.12 1.61 -7.23 -1.20 -2.40 120.40 108.60 2duk s VAL 65 Ca 0.01 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.10 2duk s VAL 65 Cb -0.00 -2.57 0.04 0.00 0.56 0.00 0.00 36.38 34.41 2duk s VAL 65 CO 0.21 0.00 0.30 -0.75 -0.31 0.00 0.00 175.10 174.55 2duk s LYS 66 N -3.86 0.30 0.11 4.82 2.20 -0.68 -3.90 119.74 118.73 2duk s LYS 66 Ca 0.33 0.53 -0.15 0.00 -0.36 0.00 0.00 55.97 56.32 2duk s LYS 66 Cb 0.06 0.02 0.05 0.00 -1.51 0.00 0.00 37.83 36.45 2duk s LYS 66 CO 0.15 -0.11 0.73 0.41 -0.36 0.00 0.00 175.35 176.17 2duk n GLY 67 N 3.67 0.76 3.60 5.54 0.00 -1.26 -0.19 105.19 117.32 2duk n GLY 67 Ca -0.20 -1.06 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 2duk n GLY 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2duk s LYS 68 N -2.03 3.76 -0.16 1.61 2.20 -0.48 -4.84 119.74 119.80 2duk s LYS 68 Ca 0.16 0.61 -0.29 0.00 -0.36 0.00 0.00 55.97 56.10 2duk s LYS 68 Cb -0.02 -3.88 -0.05 0.00 -1.51 0.00 0.00 37.83 32.37 2duk s LYS 68 CO 0.03 -1.30 1.90 -1.17 -0.36 0.00 0.00 175.35 174.44 2duk s LEU 69 N 4.30 3.86 0.00 5.43 2.96 -1.26 -2.50 118.68 131.47 2duk s LEU 69 Ca 0.47 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 56.31 2duk s LEU 69 Cb -0.08 -3.52 0.00 0.00 0.50 0.00 0.00 46.19 43.09 2duk s LEU 69 CO 0.29 -1.45 0.00 0.61 -1.32 0.00 0.00 176.35 174.48 2duk n GLY 70 N 5.02 1.52 3.72 7.98 0.00 0.36 -5.00 105.19 118.80 2duk n GLY 70 Ca 0.23 -1.71 -0.30 0.00 0.00 0.00 0.00 46.02 44.23 2duk n GLY 70 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2duk s ARG 71 N 2.56 1.38 -0.73 1.61 1.70 -1.26 -4.53 118.95 119.69 2duk s ARG 71 Ca 0.00 0.86 -0.27 0.00 -0.47 0.00 0.00 55.73 55.85 2duk s ARG 71 Cb 0.00 -1.82 0.03 0.00 -0.57 0.00 0.00 34.95 32.59 2duk s ARG 71 CO 0.00 -2.17 1.28 -1.17 -1.08 0.00 0.00 175.30 172.17 2duk s LEU 72 N -6.18 3.18 0.37 -1.89 1.98 -1.26 -2.36 118.68 112.52 2duk s LEU 72 Ca 0.63 -0.41 0.11 0.00 -2.89 0.00 0.00 54.13 51.57 2duk s LEU 72 Cb -0.18 -2.59 0.88 0.00 0.66 0.00 0.00 46.19 44.96 2duk s LEU 72 CO 0.57 -1.83 1.88 0.25 -1.89 0.00 0.00 176.35 175.33 2duk h LEU 73 N 13.01 0.59 0.00 -0.68 5.85 -0.28 -3.48 115.31 130.32 2duk h LEU 73 Ca -0.28 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.48 2duk h LEU 73 Cb 1.05 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.00 2duk h LEU 73 CO 1.27 0.30 0.00 0.61 -0.34 0.00 0.00 178.44 180.28 2duk n GLY 74 N -1.45 3.00 3.68 3.75 0.00 -1.21 -5.02 105.19 107.92 2duk n GLY 74 Ca 0.17 -1.05 -0.39 0.00 0.00 0.00 0.00 46.02 44.75 2duk n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2duk s ILE 75 N -2.00 5.10 -0.20 -0.61 -1.09 -1.26 -2.09 121.20 119.05 2duk s ILE 75 Ca 0.00 1.06 -0.01 0.00 -2.23 0.00 0.00 60.65 59.47 2duk s ILE 75 Cb 0.00 -3.88 0.01 0.00 -1.58 0.00 0.00 42.46 37.01 2duk s ILE 75 CO 0.00 0.20 -0.14 -0.36 -1.23 0.00 0.00 174.94 173.40 2duk s PHE 76 N 1.42 2.86 0.62 3.97 0.08 -0.62 -4.92 117.98 121.38 2duk s PHE 76 Ca 0.27 -1.44 -0.06 0.00 0.12 0.00 0.00 56.93 55.83 2duk s PHE 76 Cb -0.16 -1.98 0.02 0.00 -0.57 0.00 0.00 43.02 40.33 2duk s PHE 76 CO 0.11 -0.73 0.92 -2.00 -0.10 0.00 0.00 175.22 173.42 2duk s GLU 77 N 1.35 2.71 -0.24 0.44 2.12 -1.26 -1.45 118.70 122.37 2duk s GLU 77 Ca 0.05 -0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.22 2duk s GLU 77 Cb -0.14 -2.26 0.13 0.00 0.26 0.00 0.00 34.13 32.12 2duk s GLU 77 CO -0.09 -0.83 0.43 1.21 -0.54 0.00 0.00 175.26 175.43 2duk s ASN 78 N -4.36 -0.18 -0.49 -1.70 3.84 -1.00 -4.95 114.94 106.09 2duk s ASN 78 Ca 0.56 0.61 0.03 0.00 0.21 0.00 0.00 52.86 54.27 2duk s ASN 78 Cb -0.11 1.37 0.43 0.00 -0.55 0.00 0.00 41.25 42.40 2duk s ASN 78 CO 0.45 -0.27 1.49 0.00 -2.79 0.00 0.00 177.10 175.98 2duk n GLN 79 N 5.38 3.23 0.00 0.43 10.64 -1.26 -2.36 117.38 133.44 2duk n GLN 79 Ca -0.05 -3.94 0.00 0.00 -1.83 0.00 0.00 57.00 51.18 2duk n GLN 79 Cb 0.50 -2.27 0.00 0.00 -0.86 0.00 0.00 30.24 27.60 2duk n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.83 0.00 0.00 177.06 174.98 2duk n ASP 80 N -0.69 1.95 -3.20 2.61 8.00 -1.26 -4.88 116.55 119.08 2duk n ASP 80 Ca 0.49 -0.14 -0.10 0.00 0.71 0.00 0.00 54.79 55.75 2duk n ASP 80 Cb 0.73 0.68 -0.04 0.00 -0.02 0.00 0.00 41.12 42.47 2duk n ASP 80 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 2duk s ARG 81 N -1.07 0.81 -0.76 -1.24 0.52 -1.25 -5.09 118.95 110.88 2duk s ARG 81 Ca 0.00 -0.85 -0.15 0.00 -0.52 0.00 0.00 55.73 54.21 2duk s ARG 81 Cb 0.00 -0.40 -0.20 0.00 0.52 0.00 0.00 34.95 34.87 2duk s ARG 81 CO 0.00 -1.24 2.00 1.17 0.02 0.00 0.00 175.30 177.24 2duk n LYS 82 N 3.89 0.17 -4.27 3.54 4.81 -1.19 -4.54 118.16 120.57 2duk n LYS 82 Ca 0.14 -0.51 -0.15 0.00 -0.87 0.00 0.00 58.31 56.92 2duk n LYS 82 Cb 0.51 -2.24 -0.10 0.00 0.02 0.00 0.00 35.03 33.23 2duk n LYS 82 CO 0.00 0.00 0.00 -1.01 1.17 0.00 0.00 177.40 177.56 2duk s HIS 83 N 7.01 1.37 -0.12 5.64 3.76 -1.00 -1.91 115.29 130.04 2duk s HIS 83 Ca 0.87 -0.74 -0.05 0.00 -0.15 0.00 0.00 55.06 54.99 2duk s HIS 83 Cb -0.35 -0.69 0.06 0.00 1.11 0.00 0.00 32.58 32.70 2duk s HIS 83 CO 0.26 0.12 0.26 1.03 -0.85 0.00 0.00 174.74 175.56 2duk s ARG 84 N -3.74 0.18 -0.19 1.40 0.52 -0.64 -2.38 118.95 114.10 2duk s ARG 84 Ca 0.19 0.65 -0.00 0.00 -0.52 0.00 0.00 55.73 56.04 2duk s ARG 84 Cb 0.02 -0.07 0.01 0.00 0.52 0.00 0.00 34.95 35.43 2duk s ARG 84 CO 0.02 -0.23 -0.16 0.99 0.02 0.00 0.00 175.30 175.95 2duk s THR 85 N 1.87 2.45 -0.35 0.02 2.01 -0.53 0.88 115.64 121.99 2duk s THR 85 Ca -0.04 -0.81 -0.29 0.00 0.31 0.00 0.00 61.69 60.86 2duk s THR 85 Cb -0.11 -2.06 0.00 0.00 0.01 0.00 0.00 72.50 70.34 2duk s THR 85 CO -0.09 0.51 1.44 -0.31 -0.69 0.00 0.00 174.62 175.49 2duk s TYR 86 N 1.29 2.38 -0.16 4.92 2.02 -0.20 -1.58 117.35 126.02 2duk s TYR 86 Ca 0.04 0.70 -0.05 0.00 -0.37 0.00 0.00 57.07 57.40 2duk s TYR 86 Cb -0.14 -4.14 -0.03 0.00 -0.40 0.00 0.00 41.96 37.25 2duk s TYR 86 CO -0.09 -2.12 -0.01 0.54 -1.57 0.00 0.00 175.55 172.30 2duk s VAL 87 N 5.25 4.17 0.38 0.71 0.11 -0.89 -1.03 120.40 129.11 2duk s VAL 87 Ca 0.63 -0.26 0.08 0.00 -2.93 0.00 0.00 61.98 59.50 2duk s VAL 87 Cb -0.17 -2.85 -0.07 0.00 -1.53 0.00 0.00 36.38 31.77 2duk s VAL 87 CO 0.30 0.48 0.02 -0.31 -3.33 0.00 0.00 175.10 172.26 2duk s TYR 88 N 0.36 2.51 -0.16 1.54 1.51 -0.98 0.49 117.35 122.63 2duk s TYR 88 Ca -0.02 -0.57 -0.03 0.00 -1.01 0.00 0.00 57.07 55.44 2duk s TYR 88 Cb -0.14 -1.66 -0.02 0.00 -0.11 0.00 0.00 41.96 40.03 2duk s TYR 88 CO 0.02 0.44 -0.05 0.14 -1.11 0.00 0.00 175.55 174.99 2duk s VAL 89 N -2.63 3.70 -0.11 0.71 -7.23 -0.99 -0.49 120.40 113.36 2duk s VAL 89 Ca 0.35 -0.42 0.04 0.00 -1.81 0.00 0.00 61.98 60.14 2duk s VAL 89 Cb 0.05 -2.62 0.00 0.00 0.56 0.00 0.00 36.38 34.38 2duk s VAL 89 CO 0.19 0.49 -0.23 -0.22 -0.31 0.00 0.00 175.10 175.02 2duk s LEU 90 N 0.46 2.08 -0.43 1.32 0.20 -0.77 0.14 118.68 121.67 2duk s LEU 90 Ca -0.05 -0.56 -0.26 0.00 0.69 0.00 0.00 54.13 53.96 2duk s LEU 90 Cb -0.15 -1.40 0.02 0.00 -0.43 0.00 0.00 46.19 44.24 2duk s LEU 90 CO 0.03 0.14 0.93 -0.89 -0.29 0.00 0.00 176.35 176.27 2duk s THR 91 N 0.47 4.51 0.19 3.68 2.01 -1.04 0.18 115.64 125.63 2duk s THR 91 Ca -0.16 0.91 -0.30 0.00 0.31 0.00 0.00 61.69 62.45 2duk s THR 91 Cb -0.17 -4.40 -0.09 0.00 0.01 0.00 0.00 72.50 67.85 2duk s THR 91 CO 0.06 -0.73 1.31 0.68 -0.69 0.00 0.00 174.62 175.25 2duk s VAL 92 N 3.67 3.24 -0.00 3.82 -7.23 -0.31 -1.39 120.40 122.21 2duk s VAL 92 Ca 0.38 1.00 0.00 0.00 -1.81 0.00 0.00 61.98 61.55 2duk s VAL 92 Cb -0.11 -3.64 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2duk s VAL 92 CO 0.24 0.14 0.56 1.07 -0.31 0.00 0.00 175.10 176.79 2duk n THR 93 N 2.81 0.07 -3.17 5.32 5.66 0.74 -4.88 114.28 120.83 2duk n THR 93 Ca 0.07 -0.08 0.02 0.00 -3.05 0.00 0.00 64.05 61.01 2duk n THR 93 Cb 0.43 0.94 -0.01 0.00 -1.55 0.00 0.00 70.33 70.14 2duk n THR 93 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 2duk s GLU 94 N -0.08 0.54 -0.04 1.09 2.02 -0.41 -4.95 118.70 116.87 2duk s GLU 94 Ca 0.00 0.70 -0.25 0.00 0.02 0.00 0.00 54.97 55.44 2duk s GLU 94 Cb 0.00 0.28 -0.04 0.00 0.10 0.00 0.00 34.13 34.48 2duk s GLU 94 CO 0.00 -0.85 0.78 0.96 0.02 0.00 0.00 175.26 176.16 2duk s ILE 95 N 2.80 4.99 -0.19 -1.63 -5.25 -1.26 -1.69 121.20 118.97 2duk s ILE 95 Ca 0.14 1.61 -0.06 0.00 -0.99 0.00 0.00 60.65 61.36 2duk s ILE 95 Cb -0.13 -4.12 -0.03 0.00 2.95 0.00 0.00 42.46 41.14 2duk s ILE 95 CO -0.24 0.23 0.02 -0.76 -1.79 0.00 0.00 174.94 172.40 2duk s LEU 96 N 0.82 3.43 0.22 0.37 2.01 -1.01 -4.99 118.68 119.52 2duk s LEU 96 Ca 0.41 -0.11 -0.06 0.00 0.01 0.00 0.00 54.13 54.38 2duk s LEU 96 Cb -0.19 -1.87 0.18 0.00 0.01 0.00 0.00 46.19 44.33 2duk s LEU 96 CO 0.21 0.10 1.69 -0.33 1.01 0.00 0.00 176.35 179.04 2duk h GLU 97 N 7.21 0.96 -4.98 1.70 4.39 -1.97 -3.41 114.58 118.48 2duk h GLU 97 Ca -0.35 -0.28 -0.67 0.00 0.34 0.00 0.00 59.36 58.40 2duk h GLU 97 Cb 1.18 -0.10 -0.31 0.00 -0.10 0.00 0.00 28.75 29.43 2duk h GLU 97 CO 0.63 0.94 -0.76 -0.51 -1.16 0.00 0.00 179.01 178.16 2duk s ASP 98 N -6.60 4.05 0.29 1.42 -0.00 -1.26 -5.07 116.67 109.49 2duk s ASP 98 Ca -0.11 -0.60 0.09 0.00 -0.00 0.00 0.00 52.55 51.93 2duk s ASP 98 Cb 0.14 -1.66 -0.06 0.00 -0.00 0.00 0.00 42.92 41.34 2duk s ASP 98 CO 0.84 -0.05 -0.11 -1.66 -0.00 0.00 0.00 175.17 174.19 2duk s TRP 99 N 1.39 2.10 0.24 4.23 -2.14 -1.26 -5.05 118.94 118.46 2duk s TRP 99 Ca 0.04 -0.56 0.04 0.00 2.66 0.00 0.00 56.10 58.28 2duk s TRP 99 Cb -0.15 -1.11 0.28 0.00 -3.10 0.00 0.00 33.47 29.39 2duk s TRP 99 CO -0.06 0.46 1.59 1.05 -2.66 0.00 0.00 176.95 177.33 2duk h GLU 100 N 2.25 0.27 0.00 3.25 4.11 -1.82 -2.92 114.58 119.73 2duk h GLU 100 Ca -0.40 -0.17 0.00 0.00 0.07 0.00 0.00 59.36 58.86 2duk h GLU 100 Cb 1.24 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2duk h GLU 100 CO 0.66 0.75 -0.09 -0.25 0.07 0.00 0.00 179.01 180.15 2duk n ASP 101 N -3.91 0.29 0.08 3.06 10.43 -0.42 -3.42 116.55 122.66 2duk n ASP 101 Ca -0.02 0.41 -0.12 0.00 2.57 0.00 0.00 54.79 57.63 2duk n ASP 101 Cb 0.58 -0.45 -0.08 0.00 1.84 0.00 0.00 41.12 43.02 2duk n ASP 101 CO 0.00 0.00 0.00 0.77 -1.07 0.00 0.00 177.20 176.90 2duk h SER 102 N 0.00 -0.22 -2.22 -2.24 4.64 -1.72 -2.03 113.55 109.77 2duk h SER 102 Ca 0.00 -0.31 -0.76 0.00 -0.47 0.00 0.00 61.79 60.25 2duk h SER 102 Cb 0.57 0.06 -0.30 0.00 -0.31 0.00 0.00 62.40 62.42 2duk h SER 102 CO 0.00 0.26 0.71 0.55 -0.87 0.00 0.00 176.83 177.48 2duk n VAL 103 N -4.99 5.29 0.05 0.95 3.14 -1.16 -2.23 118.33 119.38 2duk n VAL 103 Ca -0.08 -5.74 0.00 0.00 -2.96 0.00 0.00 64.34 55.55 2duk n VAL 103 Cb 0.26 -1.49 0.00 0.00 -1.06 0.00 0.00 33.84 31.55 2duk n VAL 103 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2duk n ASN 104 N -0.15 -0.95 0.00 6.55 5.15 -1.25 -4.97 115.26 119.65 2duk n ASN 104 Ca 0.45 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 2duk n ASN 104 Cb 0.29 1.14 0.00 0.00 -0.53 0.00 0.00 39.78 40.68 2duk n ASN 104 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2duk n ILE 105 N -2.65 0.00 -1.85 -1.44 0.13 -1.22 -5.04 119.36 107.28 2duk n ILE 105 Ca 0.00 -0.33 0.00 0.00 -1.10 0.00 0.00 62.75 61.32 2duk n ILE 105 Cb 0.00 1.01 0.00 0.00 -0.84 0.00 0.00 39.64 39.81 2duk n ILE 105 CO 0.00 0.00 0.00 0.61 2.80 0.00 0.00 176.55 179.96 2duk n GLY 106 N 0.64 0.54 3.68 4.50 0.00 -0.94 -5.01 105.19 108.58 2duk n GLY 106 Ca 0.00 -0.80 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 2duk n GLY 106 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2duk s ARG 107 N -3.79 4.27 0.05 1.61 6.06 -0.77 -4.99 118.95 121.39 2duk s ARG 107 Ca 0.00 1.87 0.00 0.00 -2.50 0.00 0.00 55.73 55.10 2duk s ARG 107 Cb 0.00 -3.68 -0.04 0.00 0.06 0.00 0.00 34.95 31.29 2duk s ARG 107 CO 0.00 -0.63 0.17 0.15 -2.50 0.00 0.00 175.30 172.50 2duk s LYS 108 N 2.89 3.30 0.11 5.12 1.02 -1.26 -4.39 119.74 126.52 2duk s LYS 108 Ca 0.61 -0.48 0.04 0.00 0.02 0.00 0.00 55.97 56.16 2duk s LYS 108 Cb -0.28 -2.97 -0.04 0.00 -0.52 0.00 0.00 37.83 34.02 2duk s LYS 108 CO 0.23 0.61 -0.10 -0.98 -0.92 0.00 0.00 175.35 174.19 2duk s ARG 109 N -2.39 0.89 0.00 1.68 1.70 -1.26 0.25 118.95 119.82 2duk s ARG 109 Ca 0.32 -1.22 0.00 0.00 -0.47 0.00 0.00 55.73 54.36 2duk s ARG 109 Cb -0.13 -0.54 0.00 0.00 -0.57 0.00 0.00 34.95 33.71 2duk s ARG 109 CO 0.25 0.08 0.00 0.39 -1.08 0.00 0.00 175.30 174.94 2duk n GLU 110 N 0.38 0.00 -1.62 3.89 -0.58 -0.03 -4.98 120.64 117.70 2duk n GLU 110 Ca -0.15 0.00 -0.37 0.00 -0.42 0.00 0.00 57.16 56.22 2duk n GLU 110 Cb 0.58 0.00 0.07 0.00 -0.57 0.00 0.00 31.44 31.52 2duk n GLU 110 CO 0.00 0.00 0.00 0.91 -0.48 0.00 0.00 177.13 177.56 2duk n TRP 111 N -0.38 1.37 -3.88 -0.32 7.02 -1.26 -2.51 117.44 117.48 2duk n TRP 111 Ca 0.00 0.42 -0.11 0.00 -1.02 0.00 0.00 57.50 56.79 2duk n TRP 111 Cb 0.00 -2.19 -0.11 0.00 -2.42 0.00 0.00 31.31 26.59 2duk n TRP 111 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 2duk s PHE 112 N -1.51 0.04 0.25 -5.99 0.08 0.77 -4.88 117.98 106.73 2duk s PHE 112 Ca 0.79 -0.08 -0.30 0.00 0.12 0.00 0.00 56.93 57.47 2duk s PHE 112 Cb -0.38 -0.05 -0.09 0.00 -0.57 0.00 0.00 43.02 41.93 2duk s PHE 112 CO 0.44 -0.20 1.18 0.15 -0.10 0.00 0.00 175.22 176.69 2duk s LYS 113 N -0.95 4.53 0.32 0.44 1.02 -1.26 0.20 119.74 124.04 2duk s LYS 113 Ca -0.10 1.90 0.09 0.00 0.02 0.00 0.00 55.97 57.89 2duk s LYS 113 Cb -0.06 -3.19 0.96 0.00 -0.52 0.00 0.00 37.83 35.01 2duk s LYS 113 CO 0.01 0.01 1.63 0.28 -0.92 0.00 0.00 175.35 176.36 2duk h VAL 114 N 3.38 0.21 0.03 3.17 2.07 -1.40 0.20 116.25 123.89 2duk h VAL 114 Ca -0.46 -0.06 -0.00 0.00 0.82 0.00 0.00 66.70 67.00 2duk h VAL 114 Cb 1.21 0.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 2duk h VAL 114 CO 0.70 0.03 -0.01 -0.08 0.02 0.00 0.00 177.57 178.23 2duk h GLU 115 N 0.18 -0.04 -1.01 1.57 4.57 -1.91 -1.76 114.58 116.19 2duk h GLU 115 Ca 0.67 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.87 2duk h GLU 115 Cb 1.52 0.01 -0.05 0.00 -0.16 0.00 0.00 28.75 30.07 2duk h GLU 115 CO -0.70 0.23 0.67 -0.44 -1.18 0.00 0.00 179.01 177.58 2duk h ASP 116 N -0.30 1.15 -0.25 1.04 5.19 -1.10 -1.74 116.42 120.42 2duk h ASP 116 Ca -0.00 -0.03 0.05 0.00 -0.62 0.00 0.00 57.03 56.43 2duk h ASP 116 Cb 0.28 -0.28 -0.05 0.00 0.18 0.00 0.00 39.33 39.46 2duk h ASP 116 CO 0.01 0.83 -0.08 0.00 -3.12 0.00 0.00 179.24 176.87 2duk h ALA 117 N 1.38 0.13 -0.85 3.45 0.00 -0.84 -1.96 119.26 120.57 2duk h ALA 117 Ca 0.37 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.47 2duk h ALA 117 Cb -0.13 0.23 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 2duk h ALA 117 CO -0.09 -0.49 0.55 0.82 0.00 0.00 0.00 179.25 180.04 2duk h ILE 118 N -0.03 0.99 0.19 0.00 2.04 -0.57 -1.79 117.51 118.34 2duk h ILE 118 Ca 0.12 -0.29 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 2duk h ILE 118 Cb 0.22 0.05 0.00 0.00 -0.74 0.00 0.00 36.82 36.36 2duk h ILE 118 CO -0.27 0.16 -0.09 0.50 0.00 0.00 0.00 178.15 178.44 2duk h LYS 119 N 0.86 -0.25 0.00 2.37 1.63 -0.61 -1.28 116.57 119.29 2duk h LYS 119 Ca 0.39 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.20 2duk h LYS 119 Cb 0.36 0.06 0.00 0.00 -0.60 0.00 0.00 32.23 32.05 2duk h LYS 119 CO -0.15 0.14 0.00 1.55 -3.45 0.00 0.00 179.45 177.53 2duk n VAL 120 N -5.00 1.48 -0.07 2.00 3.14 -0.91 -2.80 118.33 116.17 2duk n VAL 120 Ca -0.09 0.37 -0.22 0.00 -2.96 0.00 0.00 64.34 61.44 2duk n VAL 120 Cb 0.26 -1.29 -0.12 0.00 -1.06 0.00 0.00 33.84 31.62 2duk n VAL 120 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2duk n LEU 121 N -1.44 2.31 0.01 6.55 4.32 -0.68 -4.44 117.00 123.63 2duk n LEU 121 Ca 0.01 0.27 0.05 0.00 -0.02 0.00 0.00 56.01 56.32 2duk n LEU 121 Cb 0.05 -1.01 0.20 0.00 -1.62 0.00 0.00 43.42 41.04 2duk n LEU 121 CO 0.04 0.62 0.65 0.00 -1.22 0.00 0.00 177.39 177.47 2duk n GLN 122 N -3.90 0.01 0.00 3.23 10.64 -0.53 -1.21 117.38 125.63 2duk n GLN 122 Ca -0.36 0.37 0.00 0.00 -1.83 0.00 0.00 57.00 55.18 2duk n GLN 122 Cb 0.89 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.74 2duk n GLN 122 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2duk n HIS 124 N -1.28 0.28 -3.84 0.00 -0.00 -1.14 -4.72 115.22 104.51 2duk n HIS 124 Ca 0.00 0.09 -0.28 0.00 0.46 0.00 0.00 57.72 57.99 2duk n HIS 124 Cb 0.00 -1.05 -0.12 0.00 -0.12 0.00 0.00 29.99 28.70 2duk n HIS 124 CO 0.00 0.00 0.00 0.15 0.46 0.00 0.00 176.34 176.95 2duk s LYS 125 N -2.52 2.23 0.45 1.57 1.02 -0.35 -4.96 119.74 117.18 2duk s LYS 125 Ca -0.12 -3.13 0.21 0.00 0.02 0.00 0.00 55.97 52.95 2duk s LYS 125 Cb 0.07 -3.16 1.05 0.00 -0.52 0.00 0.00 37.83 35.27 2duk s LYS 125 CO 0.81 -1.28 1.93 -1.00 -0.92 0.00 0.00 175.35 174.88 2duk h PRO 126 N 5.53 0.00 -0.57 -1.68 0.13 -1.75 -2.54 132.00 131.11 2duk h PRO 126 Ca 0.14 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.17 2duk h PRO 126 Cb 0.78 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.89 2duk h PRO 126 CO 0.67 0.24 -0.03 0.28 -0.23 0.00 0.00 178.00 178.93 2duk h VAL 127 N 0.00 1.27 -0.92 1.56 2.07 -1.93 -1.34 116.25 116.95 2duk h VAL 127 Ca -0.00 -1.18 0.09 0.00 0.82 0.00 0.00 66.70 66.43 2duk h VAL 127 Cb 0.54 0.88 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2duk h VAL 127 CO 0.03 0.42 0.60 0.45 0.02 0.00 0.00 177.57 179.09 2duk h HIS 128 N 0.93 1.03 -0.38 1.57 3.86 -1.82 -1.52 115.15 118.82 2duk h HIS 128 Ca 0.16 0.03 -0.10 0.00 -1.16 0.00 0.00 60.37 59.29 2duk h HIS 128 Cb 0.59 -0.33 -0.01 0.00 1.06 0.00 0.00 27.41 28.72 2duk h HIS 128 CO 0.04 0.48 -0.17 0.00 0.86 0.00 0.00 177.93 179.14 2duk h ALA 129 N 1.53 0.53 -1.13 2.45 0.00 -1.41 -2.51 119.26 118.72 2duk h ALA 129 Ca 0.42 -0.35 0.36 0.00 0.00 0.00 0.00 54.91 55.34 2duk h ALA 129 Cb 0.36 -0.13 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 2duk h ALA 129 CO -0.18 0.46 0.70 0.93 0.00 0.00 0.00 179.25 181.16 2duk h GLU 130 N 0.58 0.23 0.68 0.00 5.08 -0.21 0.27 114.58 121.22 2duk h GLU 130 Ca 0.09 -0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 58.41 2duk h GLU 130 Cb 0.72 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2duk h GLU 130 CO 0.05 0.15 -0.46 1.88 -1.00 0.00 0.00 179.01 179.63 2duk h TYR 131 N 0.24 -1.24 -0.54 4.33 0.99 -1.09 -0.44 116.97 119.22 2duk h TYR 131 Ca 0.74 -0.01 -0.03 0.00 2.00 0.00 0.00 58.73 61.43 2duk h TYR 131 Cb 2.00 0.45 -0.03 0.00 1.00 0.00 0.00 36.73 40.15 2duk h TYR 131 CO -0.01 -0.68 0.20 -0.07 -0.00 0.00 0.00 178.16 177.60 2duk h LEU 132 N -1.09 0.71 0.00 3.88 3.38 -1.24 0.23 115.31 121.18 2duk h LEU 132 Ca -0.09 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2duk h LEU 132 Cb 0.89 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.46 2duk h LEU 132 CO 0.06 0.66 0.00 -0.62 0.09 0.00 0.00 178.44 178.63 2duk n GLU 133 N -4.33 0.39 0.06 1.13 1.02 0.81 -1.41 120.64 118.31 2duk n GLU 133 Ca 0.04 0.06 0.12 0.00 -0.02 0.00 0.00 57.16 57.37 2duk n GLU 133 Cb 0.17 -1.50 0.25 0.00 -0.02 0.00 0.00 31.44 30.35 2duk n GLU 133 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2duk n LYS 134 N -1.13 0.23 -0.08 3.49 4.81 0.07 -3.42 118.16 122.12 2duk n LYS 134 Ca 0.10 0.09 -0.14 0.00 -0.87 0.00 0.00 58.31 57.50 2duk n LYS 134 Cb 0.09 -1.67 -0.05 0.00 0.02 0.00 0.00 35.03 33.42 2duk n LYS 134 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 2duk h LEU 135 N 0.00 0.71 -0.45 3.14 3.38 -1.29 -2.90 115.31 117.91 2duk h LEU 135 Ca 0.00 -0.49 0.00 0.00 0.09 0.00 0.00 57.88 57.48 2duk h LEU 135 Cb 0.69 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2duk h LEU 135 CO 0.00 1.06 -0.26 2.29 0.09 0.00 0.00 178.44 181.62 2duk n LYS 136 N -4.28 0.78 -1.17 1.13 2.85 -1.25 -3.85 118.16 112.37 2duk n LYS 136 Ca -0.04 -0.45 -0.28 0.00 -1.05 0.00 0.00 58.31 56.49 2duk n LYS 136 Cb 0.48 -1.49 0.06 0.00 -0.65 0.00 0.00 35.03 33.43 2duk n LYS 136 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 2duk n LEU 137 N -0.72 7.25 0.00 -5.58 7.94 -1.09 -5.15 117.00 119.64 2duk n LEU 137 Ca 0.12 -3.92 0.15 0.00 -1.11 0.00 0.00 56.01 51.25 2duk n LEU 137 Cb 0.34 -1.01 0.90 0.00 0.53 0.00 0.00 43.42 44.19 2duk n LEU 137 CO 0.26 1.38 1.07 0.61 -1.11 0.00 0.00 177.39 179.60