#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k94 s ILE 3 N 0.00 3.44 -0.23 1.39 1.01 -1.26 -4.18 121.20 121.38 3k94 s ILE 3 Ca 0.00 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.16 3k94 s ILE 3 Cb 0.00 -2.54 0.03 0.00 0.01 0.00 0.00 42.46 39.96 3k94 s ILE 3 CO 0.00 0.45 -0.11 -1.00 0.00 0.00 0.00 174.94 174.28 3k94 s HIS 4 N 1.08 3.00 -0.19 3.97 3.76 -1.26 -1.21 115.29 124.44 3k94 s HIS 4 Ca 0.01 -1.66 -0.05 0.00 -0.15 0.00 0.00 55.06 53.20 3k94 s HIS 4 Cb -0.15 -2.00 -0.03 0.00 1.11 0.00 0.00 32.58 31.52 3k94 s HIS 4 CO -0.00 -0.77 0.00 0.42 -0.85 0.00 0.00 174.74 173.55 3k94 s ILE 5 N 1.29 4.11 -0.34 0.60 1.01 0.16 -0.24 121.20 127.79 3k94 s ILE 5 Ca 0.01 -0.27 -0.05 0.00 0.00 0.00 0.00 60.65 60.34 3k94 s ILE 5 Cb -0.16 -2.84 0.05 0.00 0.01 0.00 0.00 42.46 39.52 3k94 s ILE 5 CO -0.07 0.45 0.09 -0.69 0.00 0.00 0.00 174.94 174.72 3k94 s VAL 6 N 0.72 3.58 0.00 2.92 1.01 0.47 -0.06 120.40 129.04 3k94 s VAL 6 Ca 0.00 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 60.71 3k94 s VAL 6 Cb -0.14 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.17 3k94 s VAL 6 CO 0.02 -0.21 0.00 0.61 0.00 0.00 0.00 175.10 175.52 3k94 n GLY 7 N 4.76 0.09 1.64 4.51 0.00 0.05 -0.52 105.19 115.71 3k94 n GLY 7 Ca -0.12 -1.85 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 3k94 n GLY 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k94 n GLY 8 N 5.00 3.86 3.64 -0.02 0.00 -1.19 -3.26 105.19 113.22 3k94 n GLY 8 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 46.02 44.70 3k94 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3k94 s GLY 9 N -1.42 1.56 -0.32 -0.02 0.00 -0.26 -4.86 107.32 102.00 3k94 s GLY 9 Ca 0.51 -0.37 -0.43 0.00 0.00 0.00 0.00 44.72 44.43 3k94 s GLY 9 CO 0.11 0.28 1.61 -1.05 0.00 0.00 0.00 173.10 174.05 3k94 n PRO 10 N -4.36 0.62 -0.07 2.90 -0.02 -1.26 -4.83 135.00 127.97 3k94 n PRO 10 Ca 0.05 0.23 0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3k94 n PRO 10 Cb 0.57 -1.82 0.55 0.00 -0.02 0.00 0.00 33.50 32.78 3k94 n PRO 10 CO 0.00 0.00 0.00 -0.09 1.98 0.00 0.00 175.50 177.39 3k94 h ARG 11 N 5.84 0.29 0.00 -0.52 9.65 -1.96 -2.04 114.38 125.65 3k94 h ARG 11 Ca -0.46 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.40 3k94 h ARG 11 Cb 1.35 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.86 3k94 h ARG 11 CO 0.93 0.19 0.00 1.05 2.80 0.00 0.00 179.97 184.95 3k94 h GLU 12 N 0.30 0.00 0.00 0.20 9.09 -2.01 -2.71 114.58 119.45 3k94 h GLU 12 Ca 0.28 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.69 3k94 h GLU 12 Cb 0.70 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.80 3k94 h GLU 12 CO -0.07 0.00 -0.21 1.28 0.05 0.00 0.00 179.01 180.06 3k94 n LEU 13 N -2.47 0.26 -4.76 3.06 4.77 -0.76 -4.86 117.00 112.23 3k94 n LEU 13 Ca 0.02 0.31 -0.40 0.00 -0.03 0.00 0.00 56.01 55.90 3k94 n LEU 13 Cb 0.26 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 40.93 3k94 n LEU 13 CO 0.22 0.04 0.86 -0.76 -1.33 0.00 0.00 177.39 176.42 3k94 s LEU 14 N -3.13 4.50 1.10 2.23 1.02 -1.02 -0.82 118.68 122.56 3k94 s LEU 14 Ca 0.12 2.43 -0.16 0.00 0.02 0.00 0.00 54.13 56.55 3k94 s LEU 14 Cb 0.18 -3.64 0.24 0.00 0.02 0.00 0.00 46.19 42.99 3k94 s LEU 14 CO 0.61 -0.29 1.10 -2.16 0.02 0.00 0.00 176.35 175.62 3k94 s PRO 15 N -1.58 -0.39 -0.36 1.29 0.04 -1.26 -4.55 135.00 128.19 3k94 s PRO 15 Ca 0.46 0.23 -0.28 0.00 0.04 0.00 0.00 61.00 61.45 3k94 s PRO 15 Cb -0.35 -1.67 -0.01 0.00 0.04 0.00 0.00 34.50 32.51 3k94 s PRO 15 CO 0.46 -3.22 1.74 0.34 0.04 0.00 0.00 177.00 176.35 3k94 s ASP 16 N -3.65 5.93 0.52 6.66 -1.08 -1.26 -4.88 116.67 118.91 3k94 s ASP 16 Ca 0.68 1.17 0.28 0.00 -0.52 0.00 0.00 52.55 54.17 3k94 s ASP 16 Cb -0.15 -2.53 1.41 0.00 -1.46 0.00 0.00 42.92 40.19 3k94 s ASP 16 CO 0.57 -1.70 2.04 -0.07 0.52 0.00 0.00 175.17 176.53 3k94 h LEU 17 N 13.57 0.00 -1.93 -1.34 3.38 -1.99 -2.00 115.31 125.01 3k94 h LEU 17 Ca -0.32 0.00 0.21 0.00 0.09 0.00 0.00 57.88 57.86 3k94 h LEU 17 Cb 1.16 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.87 3k94 h LEU 17 CO 1.05 0.12 0.55 0.03 0.09 0.00 0.00 178.44 180.28 3k94 h ARG 18 N 0.00 0.06 0.00 1.13 3.08 -1.95 0.27 114.38 116.96 3k94 h ARG 18 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3k94 h ARG 18 Cb 0.40 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.44 3k94 h ARG 18 CO 0.02 0.04 0.00 1.19 -1.07 0.00 0.00 179.97 180.14 3k94 n PHE 19 N -4.34 0.00 0.04 3.04 3.72 -0.75 -2.97 117.46 116.20 3k94 n PHE 19 Ca 0.15 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.59 3k94 n PHE 19 Cb 0.80 -0.40 0.07 0.00 -0.94 0.00 0.00 39.48 39.01 3k94 n PHE 19 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 3k94 n TYR 20 N -1.40 0.18 -3.09 1.38 4.01 0.89 -5.01 117.16 114.11 3k94 n TYR 20 Ca 0.10 -0.31 -0.27 0.00 -0.16 0.00 0.00 57.90 57.26 3k94 n TYR 20 Cb 0.29 -0.02 -0.02 0.00 -0.31 0.00 0.00 39.34 39.28 3k94 n TYR 20 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3k94 s ASP 21 N -0.84 6.36 -0.00 7.72 2.15 -0.92 -4.99 116.67 126.16 3k94 s ASP 21 Ca 0.12 0.76 -0.30 0.00 0.43 0.00 0.00 52.55 53.56 3k94 s ASP 21 Cb 0.07 -2.17 0.11 0.00 -0.30 0.00 0.00 42.92 40.63 3k94 s ASP 21 CO 0.09 -0.35 1.20 -0.83 -0.17 0.00 0.00 175.17 175.11 3k94 s GLY 22 N -3.66 -0.37 0.37 2.66 0.00 -1.26 -4.99 107.32 100.07 3k94 s GLY 22 Ca 0.45 0.69 0.07 0.00 0.00 0.00 0.00 44.72 45.93 3k94 s GLY 22 CO 0.36 0.15 1.93 -2.09 0.00 0.00 0.00 173.10 173.45 3k94 h GLU 23 N 2.00 0.43 -0.31 2.90 4.81 -2.02 -1.58 114.58 120.82 3k94 h GLU 23 Ca -0.27 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 58.89 3k94 h GLU 23 Cb 1.21 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.51 3k94 h GLU 23 CO 0.27 0.45 0.00 -3.47 -0.73 0.00 0.00 179.01 175.53 3k94 n ASP 24 N -4.33 1.86 -2.22 1.04 2.03 -1.26 -5.05 116.55 108.62 3k94 n ASP 24 Ca 0.01 -1.92 -0.02 0.00 0.52 0.00 0.00 54.79 53.38 3k94 n ASP 24 Cb 0.21 -0.20 0.01 0.00 -0.72 0.00 0.00 41.12 40.41 3k94 n ASP 24 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 3k94 n VAL 25 N 0.49 0.00 -3.60 5.18 0.31 -0.60 0.09 118.33 120.21 3k94 n VAL 25 Ca 0.13 -0.14 -0.16 0.00 -0.01 0.00 0.00 64.34 64.16 3k94 n VAL 25 Cb 0.31 -1.08 -0.07 0.00 -0.91 0.00 0.00 33.84 32.09 3k94 n VAL 25 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 3k94 s TRP 27 N 0.49 -0.63 -0.04 3.52 0.52 -1.26 -4.79 118.94 116.76 3k94 s TRP 27 Ca 0.05 1.27 0.01 0.00 0.02 0.00 0.00 56.10 57.45 3k94 s TRP 27 Cb -0.00 0.31 0.02 0.00 -1.15 0.00 0.00 33.47 32.65 3k94 s TRP 27 CO 0.03 -0.48 -0.02 0.08 0.02 0.00 0.00 176.95 176.58 3k94 s VAL 28 N -0.60 0.38 -0.05 4.03 1.01 0.67 -1.38 120.40 124.45 3k94 s VAL 28 Ca -0.07 -0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.78 3k94 s VAL 28 Cb -0.02 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 35.86 3k94 s VAL 28 CO 0.06 0.19 0.27 -0.83 0.00 0.00 0.00 175.10 174.80 3k94 s GLY 29 N 0.99 2.31 -0.10 4.51 0.00 -0.66 -0.39 107.32 113.99 3k94 s GLY 29 Ca -0.10 -0.44 -0.01 0.00 0.00 0.00 0.00 44.72 44.17 3k94 s GLY 29 CO -0.01 -0.14 -0.05 0.14 0.00 0.00 0.00 173.10 173.04 3k94 s VAL 30 N -1.08 0.82 0.00 1.40 1.01 0.32 -0.51 120.40 122.35 3k94 s VAL 30 Ca 0.20 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.02 3k94 s VAL 30 Cb -0.14 -0.88 0.00 0.00 0.00 0.00 0.00 36.38 35.36 3k94 s VAL 30 CO 0.09 0.33 0.00 0.47 0.00 0.00 0.00 175.10 176.00 3k94 n ASP 31 N 4.95 0.00 0.28 3.32 9.92 -0.69 -0.65 116.55 133.68 3k94 n ASP 31 Ca -0.11 0.00 0.13 0.00 -0.53 0.00 0.00 54.79 54.28 3k94 n ASP 31 Cb 0.50 0.00 0.71 0.00 -0.64 0.00 0.00 41.12 41.69 3k94 n ASP 31 CO 0.00 0.00 0.00 0.03 0.13 0.00 0.00 177.20 177.36 3k94 h ARG 32 N 0.00 0.00 -0.72 -1.24 2.47 -1.89 -2.34 114.38 110.66 3k94 h ARG 32 Ca 0.00 0.00 0.16 0.00 -1.26 0.00 0.00 59.98 58.88 3k94 h ARG 32 Cb 0.00 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.28 3k94 h ARG 32 CO 0.00 0.00 0.49 0.78 0.56 0.00 0.00 179.97 181.80 3k94 h GLY 33 N 0.00 0.53 -1.69 0.04 0.00 -0.86 -2.88 103.07 98.21 3k94 h GLY 33 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.20 3k94 h GLY 33 CO 0.00 0.04 0.00 2.41 0.00 0.00 0.00 176.54 178.99 3k94 n THR 34 N -4.45 0.06 0.00 4.70 -1.04 -0.88 -1.56 114.28 111.10 3k94 n THR 34 Ca 0.14 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.15 3k94 n THR 34 Cb 0.58 -0.38 0.00 0.00 -1.82 0.00 0.00 70.33 68.71 3k94 n THR 34 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3k94 n THR 36 N 0.80 0.00 -0.13 12.58 -1.04 -1.09 -1.47 114.28 123.93 3k94 n THR 36 Ca 0.00 0.00 -0.10 0.00 -2.04 0.00 0.00 64.05 61.91 3k94 n THR 36 Cb 0.04 0.00 -0.01 0.00 -1.82 0.00 0.00 70.33 68.53 3k94 n THR 36 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 3k94 h LEU 37 N 0.00 0.59 -0.61 -4.42 3.38 -1.58 -1.37 115.31 111.30 3k94 h LEU 37 Ca 0.00 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.71 3k94 h LEU 37 Cb 0.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 3k94 h LEU 37 CO 0.00 0.66 0.23 -0.07 0.09 0.00 0.00 178.44 179.35 3k94 h LEU 38 N 0.49 0.85 -1.47 1.67 3.38 -1.37 -0.70 115.31 118.16 3k94 h LEU 38 Ca 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3k94 h LEU 38 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 3k94 h LEU 38 CO -0.00 0.81 0.23 -0.33 0.09 0.00 0.00 178.44 179.24 3k94 h GLU 39 N 0.85 0.59 0.00 1.13 3.07 -1.80 -0.88 114.58 117.54 3k94 h GLU 39 Ca 0.20 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 59.01 3k94 h GLU 39 Cb 0.23 -0.12 0.00 0.00 -0.84 0.00 0.00 28.75 28.02 3k94 h GLU 39 CO -0.01 0.44 0.00 0.00 -1.40 0.00 0.00 179.01 178.03 3k94 n ALA 40 N -2.47 2.11 -1.02 3.43 0.00 -0.53 -4.91 120.51 117.12 3k94 n ALA 40 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.45 3k94 n ALA 40 Cb 0.10 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.12 3k94 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3k94 n GLY 41 N 0.97 0.55 3.34 0.00 0.00 -0.33 -5.01 105.19 104.70 3k94 n GLY 41 Ca 0.05 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 44.87 3k94 n GLY 41 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k94 s PHE 42 N -2.00 3.08 -0.10 1.61 0.08 -0.37 -5.01 117.98 115.27 3k94 s PHE 42 Ca 0.00 -0.92 -0.30 0.00 0.12 0.00 0.00 56.93 55.83 3k94 s PHE 42 Cb 0.00 -2.19 -0.01 0.00 -0.57 0.00 0.00 43.02 40.24 3k94 s PHE 42 CO 0.00 -0.54 1.01 0.50 -0.10 0.00 0.00 175.22 176.09 3k94 s ARG 43 N 1.50 4.43 0.34 0.44 3.52 -1.26 -3.87 118.95 124.04 3k94 s ARG 43 Ca 0.04 1.40 -0.28 0.00 -0.13 0.00 0.00 55.73 56.77 3k94 s ARG 43 Cb -0.16 -3.54 -0.09 0.00 -1.56 0.00 0.00 34.95 29.60 3k94 s ARG 43 CO 0.01 -0.30 1.16 -2.14 -0.81 0.00 0.00 175.30 173.21 3k94 s PRO 44 N 1.96 4.37 0.20 5.12 0.02 -1.26 -4.73 135.00 140.68 3k94 s PRO 44 Ca 0.49 1.88 0.24 0.00 0.02 0.00 0.00 61.00 63.63 3k94 s PRO 44 Cb -0.19 -2.96 0.91 0.00 0.02 0.00 0.00 34.50 32.28 3k94 s PRO 44 CO 0.19 -0.05 1.73 1.33 -0.33 0.00 0.00 177.00 179.86 3k94 n VAL 45 N 0.68 0.69 -3.60 3.83 0.24 -0.48 -4.83 118.33 114.86 3k94 n VAL 45 Ca 0.01 0.02 -0.10 0.00 -2.04 0.00 0.00 64.34 62.23 3k94 n VAL 45 Cb 0.45 -0.88 -0.06 0.00 -1.47 0.00 0.00 33.84 31.88 3k94 n VAL 45 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3k94 s ARG 46 N -3.19 0.53 0.08 7.34 3.52 -1.26 -4.73 118.95 121.24 3k94 s ARG 46 Ca 0.08 0.29 0.04 0.00 -0.13 0.00 0.00 55.73 56.01 3k94 s ARG 46 Cb 0.11 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.72 3k94 s ARG 46 CO 0.47 -0.13 -0.12 0.00 -0.81 0.00 0.00 175.30 174.71 3k94 s ALA 47 N -0.62 1.10 -0.06 6.12 0.00 -0.18 -1.65 121.76 126.48 3k94 s ALA 47 Ca 0.01 -1.06 0.03 0.00 0.00 0.00 0.00 51.96 50.94 3k94 s ALA 47 Cb -0.02 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.07 3k94 s ALA 47 CO -0.02 0.07 -0.14 -0.06 0.00 0.00 0.00 175.76 175.61 3k94 s PHE 48 N -1.75 1.56 -3.51 0.00 0.40 0.33 -0.64 117.98 114.37 3k94 s PHE 48 Ca 0.00 -0.54 0.00 0.00 -0.60 0.00 0.00 56.93 55.79 3k94 s PHE 48 Cb -0.07 -1.11 0.00 0.00 0.51 0.00 0.00 43.02 42.35 3k94 s PHE 48 CO 0.01 -0.25 0.00 0.41 0.70 0.00 0.00 175.22 176.09 3k94 n GLY 49 N 3.61 0.92 3.64 4.36 0.00 -0.37 -1.70 105.19 115.66 3k94 n GLY 49 Ca -0.21 -2.05 -0.28 0.00 0.00 0.00 0.00 46.02 43.48 3k94 n GLY 49 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3k94 s ASP 50 N -1.26 4.71 0.31 1.61 1.01 -1.26 -4.25 116.67 117.53 3k94 s ASP 50 Ca 0.00 -0.37 0.15 0.00 0.71 0.00 0.00 52.55 53.04 3k94 s ASP 50 Cb 0.00 -0.99 0.43 0.00 1.01 0.00 0.00 42.92 43.37 3k94 s ASP 50 CO 0.00 0.12 1.62 -0.26 0.21 0.00 0.00 175.17 176.87 3k94 h PHE 51 N 3.02 0.00 -0.54 4.23 -1.00 -1.99 -2.57 116.94 118.10 3k94 h PHE 51 Ca -0.47 0.00 0.14 0.00 2.81 0.00 0.00 57.97 60.45 3k94 h PHE 51 Cb 1.19 0.00 -0.02 0.00 3.61 0.00 0.00 35.95 40.72 3k94 h PHE 51 CO 0.62 0.52 0.38 -0.44 -1.61 0.00 0.00 178.31 177.78 3k94 h ASP 52 N 0.00 0.08 0.72 2.17 3.32 -2.00 -1.79 116.42 118.92 3k94 h ASP 52 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3k94 h ASP 52 Cb 1.09 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3k94 h ASP 52 CO 0.07 0.05 0.00 -1.20 -1.72 0.00 0.00 179.24 176.43 3k94 n SER 53 N -4.41 0.00 -4.91 6.45 7.64 -0.97 -4.82 113.62 112.60 3k94 n SER 53 Ca 0.10 0.34 -0.29 0.00 1.01 0.00 0.00 58.87 60.03 3k94 n SER 53 Cb 0.55 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 63.27 3k94 n SER 53 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k94 s LEU 54 N -2.88 4.29 0.49 -3.43 1.43 -0.68 -4.86 118.68 113.04 3k94 s LEU 54 Ca 0.15 0.20 -0.23 0.00 -1.03 0.00 0.00 54.13 53.21 3k94 s LEU 54 Cb 0.16 -2.88 -0.07 0.00 0.03 0.00 0.00 46.19 43.42 3k94 s LEU 54 CO 0.42 0.12 1.25 -2.65 0.23 0.00 0.00 176.35 175.72 3k94 n PRO 55 N -0.04 1.70 -0.11 1.29 -0.02 -1.26 -4.79 135.00 131.76 3k94 n PRO 55 Ca -0.06 0.62 -0.07 0.00 -2.02 0.00 0.00 63.50 61.96 3k94 n PRO 55 Cb 0.52 -2.41 -0.01 0.00 -0.02 0.00 0.00 33.50 31.58 3k94 n PRO 55 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3k94 h ALA 56 N 1.64 -0.15 -0.18 3.55 0.00 -1.95 -0.14 119.26 122.02 3k94 h ALA 56 Ca -0.49 0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3k94 h ALA 56 Cb 1.31 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 19.76 3k94 h ALA 56 CO 0.58 -0.71 -0.04 0.93 0.00 0.00 0.00 179.25 180.01 3k94 h GLU 57 N -0.24 0.27 -0.39 0.00 3.07 -2.00 -2.58 114.58 112.71 3k94 h GLU 57 Ca 0.17 -0.05 -0.11 0.00 -0.50 0.00 0.00 59.36 58.88 3k94 h GLU 57 Cb 0.53 -0.05 -0.02 0.00 -0.84 0.00 0.00 28.75 28.38 3k94 h GLU 57 CO -0.53 0.34 -0.20 -0.44 -1.40 0.00 0.00 179.01 176.78 3k94 h ASP 58 N 0.27 0.75 -0.33 1.42 3.32 -1.40 0.21 116.42 120.66 3k94 h ASP 58 Ca 0.06 -0.26 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 3k94 h ASP 58 Cb 0.25 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.58 3k94 h ASP 58 CO 0.01 0.94 -0.02 0.58 -1.72 0.00 0.00 179.24 179.02 3k94 h VAL 59 N 0.66 1.23 0.62 -1.35 2.07 -1.02 0.12 116.25 118.58 3k94 h VAL 59 Ca 0.10 -0.98 -0.03 0.00 0.82 0.00 0.00 66.70 66.61 3k94 h VAL 59 Cb 0.69 0.93 0.01 0.00 -1.52 0.00 0.00 31.29 31.40 3k94 h VAL 59 CO 0.05 0.34 -0.30 0.58 0.02 0.00 0.00 177.57 178.26 3k94 h VAL 60 N 0.66 0.08 -1.04 2.57 2.07 -1.29 -1.15 116.25 118.15 3k94 h VAL 60 Ca 0.13 -0.38 0.28 0.00 0.82 0.00 0.00 66.70 67.55 3k94 h VAL 60 Cb 0.44 0.12 -0.12 0.00 -1.52 0.00 0.00 31.29 30.21 3k94 h VAL 60 CO 0.02 0.01 0.63 0.50 0.02 0.00 0.00 177.57 178.75 3k94 h LYS 61 N -1.18 0.42 0.05 1.57 3.64 -0.44 0.40 116.57 121.02 3k94 h LYS 61 Ca -0.09 -0.03 -0.09 0.00 -1.27 0.00 0.00 60.65 59.18 3k94 h LYS 61 Cb 0.66 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 3k94 h LYS 61 CO 0.14 0.28 -0.44 1.25 -2.27 0.00 0.00 179.45 178.41 3k94 h LEU 62 N 0.44 0.15 0.00 5.20 6.46 -0.81 -3.14 115.31 123.60 3k94 h LEU 62 Ca 0.67 -0.93 0.00 0.00 -0.12 0.00 0.00 57.88 57.50 3k94 h LEU 62 Cb 1.51 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.39 3k94 h LEU 62 CO -0.45 1.20 0.00 0.00 -0.62 0.00 0.00 178.44 178.56 3k94 n GLN 63 N -4.41 0.19 -0.06 1.25 6.02 -0.44 -0.81 117.38 119.13 3k94 n GLN 63 Ca -0.14 0.14 -0.15 0.00 -0.01 0.00 0.00 57.00 56.84 3k94 n GLN 63 Cb 0.62 -1.50 -0.14 0.00 1.02 0.00 0.00 30.24 30.24 3k94 n GLN 63 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 3k94 n GLN 64 N -1.34 0.69 -0.00 -1.09 0.00 0.13 -4.17 117.38 111.60 3k94 n GLN 64 Ca 0.07 0.18 0.04 0.00 -0.00 0.00 0.00 57.00 57.30 3k94 n GLN 64 Cb 0.16 -1.64 -0.07 0.00 0.00 0.00 0.00 30.24 28.69 3k94 n GLN 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 3k94 n ALA 65 N -2.90 2.49 -3.19 1.69 0.00 -1.18 -4.78 120.51 112.65 3k94 n ALA 65 Ca -0.32 -0.22 -0.19 0.00 0.00 0.00 0.00 53.44 52.70 3k94 n ALA 65 Cb 1.06 -0.31 -0.04 0.00 0.00 0.00 0.00 19.45 20.16 3k94 n ALA 65 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3k94 n PHE 66 N -1.69 0.01 0.18 0.00 3.72 0.01 -4.95 117.46 114.73 3k94 n PHE 66 Ca -0.01 -3.74 0.03 0.00 -0.05 0.00 0.00 57.45 53.68 3k94 n PHE 66 Cb 0.21 -0.38 0.32 0.00 -0.94 0.00 0.00 39.48 38.69 3k94 n PHE 66 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3k94 h PRO 67 N 3.26 0.00 -0.22 -1.08 0.11 -1.73 -2.89 132.00 129.46 3k94 h PRO 67 Ca 0.09 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.20 3k94 h PRO 67 Cb 0.95 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.06 3k94 h PRO 67 CO 0.49 0.43 0.00 -0.25 -0.21 0.00 0.00 178.00 178.46 3k94 n ASP 68 N -3.84 0.78 -4.72 -2.05 10.43 -1.26 -4.89 116.55 111.00 3k94 n ASP 68 Ca -0.01 -2.02 -0.42 0.00 2.57 0.00 0.00 54.79 54.91 3k94 n ASP 68 Cb 0.48 -0.14 -0.03 0.00 1.84 0.00 0.00 41.12 43.27 3k94 n ASP 68 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 3k94 s LEU 69 N -0.93 4.37 -0.68 0.64 2.96 -1.09 -4.92 118.68 119.04 3k94 s LEU 69 Ca 0.08 2.75 -0.27 0.00 -0.22 0.00 0.00 54.13 56.47 3k94 s LEU 69 Cb 0.04 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.16 3k94 s LEU 69 CO 0.05 -0.91 1.41 -0.62 -1.32 0.00 0.00 176.35 174.97 3k94 s ASP 70 N 1.26 5.99 -0.18 3.68 2.15 -1.26 -4.99 116.67 123.31 3k94 s ASP 70 Ca 0.73 -0.15 -0.04 0.00 0.43 0.00 0.00 52.55 53.52 3k94 s ASP 70 Cb -0.47 -2.55 -0.02 0.00 -0.30 0.00 0.00 42.92 39.58 3k94 s ASP 70 CO 0.32 -1.91 -0.03 -0.69 -0.17 0.00 0.00 175.17 172.68 3k94 s VAL 71 N 6.43 3.77 -0.24 1.11 1.01 -1.26 -1.01 120.40 130.21 3k94 s VAL 71 Ca 0.45 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.98 3k94 s VAL 71 Cb -0.09 -2.67 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 3k94 s VAL 71 CO 0.18 0.46 0.04 0.26 0.00 0.00 0.00 175.10 176.04 3k94 s TRP 72 N 0.76 3.05 0.80 5.22 0.52 0.18 -4.97 118.94 124.51 3k94 s TRP 72 Ca -0.01 -0.56 -0.12 0.00 0.02 0.00 0.00 56.10 55.42 3k94 s TRP 72 Cb -0.14 -2.20 0.08 0.00 -1.15 0.00 0.00 33.47 30.06 3k94 s TRP 72 CO 0.02 -0.41 1.17 -1.25 0.02 0.00 0.00 176.95 176.50 3k94 s PRO 73 N 1.57 1.74 0.87 4.98 0.04 -1.26 -1.23 135.00 141.71 3k94 s PRO 73 Ca 0.06 1.59 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 3k94 s PRO 73 Cb -0.15 -1.80 0.07 0.00 0.04 0.00 0.00 34.50 32.66 3k94 s PRO 73 CO 0.02 -2.10 0.88 0.00 0.04 0.00 0.00 177.00 175.84 3k94 n ALA 74 N -3.40 -1.14 -2.60 8.56 0.00 -1.26 -4.65 120.51 116.01 3k94 n ALA 74 Ca 0.12 -0.46 -0.28 0.00 0.00 0.00 0.00 53.44 52.83 3k94 n ALA 74 Cb 0.51 -2.06 -0.10 0.00 0.00 0.00 0.00 19.45 17.81 3k94 n ALA 74 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 3k94 s GLU 75 N -3.95 1.95 -0.05 0.00 2.02 -1.26 -5.06 118.70 112.34 3k94 s GLU 75 Ca 0.66 -2.16 -0.32 0.00 0.02 0.00 0.00 54.97 53.17 3k94 s GLU 75 Cb -0.26 -1.27 -0.10 0.00 0.10 0.00 0.00 34.13 32.59 3k94 s GLU 75 CO 0.58 -0.23 1.94 0.36 0.02 0.00 0.00 175.26 177.93 3k94 n LYS 76 N -0.98 2.42 -3.82 1.61 -0.00 -1.26 -2.89 118.16 113.24 3k94 n LYS 76 Ca -0.08 0.88 -0.30 0.00 -0.00 0.00 0.00 58.31 58.80 3k94 n LYS 76 Cb 0.67 -2.81 0.00 0.00 -0.00 0.00 0.00 35.03 32.89 3k94 n LYS 76 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 3k94 n ASP 77 N 7.31 -4.10 -3.90 -5.58 8.00 -1.26 -4.95 116.55 112.07 3k94 n ASP 77 Ca 0.22 -0.72 -0.15 0.00 0.71 0.00 0.00 54.79 54.86 3k94 n ASP 77 Cb 0.34 -3.33 -0.15 0.00 -0.02 0.00 0.00 41.12 37.97 3k94 n ASP 77 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3k94 s LYS 78 N -6.51 0.25 0.76 -1.24 1.02 -1.14 -5.15 119.74 107.72 3k94 s LYS 78 Ca 0.60 -0.06 -0.11 0.00 0.02 0.00 0.00 55.97 56.42 3k94 s LYS 78 Cb -0.32 -0.28 0.05 0.00 -0.52 0.00 0.00 37.83 36.76 3k94 s LYS 78 CO 0.74 0.02 1.08 0.95 -0.92 0.00 0.00 175.35 177.22 3k94 s THR 79 N 0.17 3.48 0.00 2.17 -4.23 -1.26 -4.34 115.64 111.63 3k94 s THR 79 Ca -0.01 0.48 0.00 0.00 -1.18 0.00 0.00 61.69 60.98 3k94 s THR 79 Cb -0.04 -3.14 0.00 0.00 1.34 0.00 0.00 72.50 70.66 3k94 s THR 79 CO -0.00 -0.63 0.31 0.47 -0.54 0.00 0.00 174.62 174.22 3k94 n ASP 80 N -3.37 0.88 0.00 3.99 8.00 -1.26 -2.18 116.55 122.61 3k94 n ASP 80 Ca 0.08 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 54.90 3k94 n ASP 80 Cb 0.54 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 3k94 n ASP 80 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 3k94 n GLU 82 N 1.07 0.00 -0.18 -1.24 2.13 -1.26 -1.61 120.64 119.55 3k94 n GLU 82 Ca 0.00 0.00 -0.00 0.00 0.66 0.00 0.00 57.16 57.82 3k94 n GLU 82 Cb 0.13 0.00 0.24 0.00 0.27 0.00 0.00 31.44 32.08 3k94 n GLU 82 CO 0.00 0.00 0.00 -0.84 -0.41 0.00 0.00 177.13 175.88 3k94 h ILE 83 N 0.00 1.20 -0.07 6.31 3.07 -1.79 0.24 117.51 126.46 3k94 h ILE 83 Ca 0.00 -0.47 -0.00 0.00 1.55 0.00 0.00 64.86 65.93 3k94 h ILE 83 Cb 0.00 0.28 -0.00 0.00 -0.27 0.00 0.00 36.82 36.83 3k94 h ILE 83 CO 0.00 0.21 0.04 0.00 -1.05 0.00 0.00 178.15 177.35 3k94 h ALA 84 N 1.49 0.09 -0.56 0.16 0.00 -1.58 -2.15 119.26 116.72 3k94 h ALA 84 Ca 0.24 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.01 3k94 h ALA 84 Cb 0.01 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3k94 h ALA 84 CO -0.04 -0.36 0.05 1.25 0.00 0.00 0.00 179.25 180.15 3k94 h LEU 85 N 0.00 0.88 -0.83 0.00 5.85 -1.71 0.11 115.31 119.61 3k94 h LEU 85 Ca 0.02 -0.21 0.07 0.00 0.84 0.00 0.00 57.88 58.61 3k94 h LEU 85 Cb 0.11 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3k94 h LEU 85 CO -0.00 0.91 0.50 0.44 -0.34 0.00 0.00 178.44 179.95 3k94 h ASP 86 N 0.86 0.77 -0.05 1.25 3.32 -0.36 0.60 116.42 122.81 3k94 h ASP 86 Ca 0.17 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.23 3k94 h ASP 86 Cb 0.44 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.85 3k94 h ASP 86 CO 0.02 0.48 -0.01 -0.25 -1.72 0.00 0.00 179.24 177.76 3k94 h TRP 87 N 0.90 0.10 -0.71 4.55 7.01 -1.06 -3.21 115.95 123.54 3k94 h TRP 87 Ca 0.37 -0.02 0.08 0.00 2.11 0.00 0.00 58.89 61.43 3k94 h TRP 87 Cb 0.22 -0.03 -0.07 0.00 -2.10 0.00 0.00 29.16 27.19 3k94 h TRP 87 CO -0.04 0.43 0.37 0.00 -2.79 0.00 0.00 178.44 176.40 3k94 h ALA 88 N 0.66 0.97 0.00 2.65 0.00 -0.23 -1.27 119.26 122.05 3k94 h ALA 88 Ca 0.01 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3k94 h ALA 88 Cb 0.39 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3k94 h ALA 88 CO 0.00 -0.00 -0.10 0.28 0.00 0.00 0.00 179.25 179.43 3k94 h VAL 89 N 0.64 0.75 0.00 0.00 2.07 -0.98 -1.72 116.25 117.02 3k94 h VAL 89 Ca 0.34 -0.41 0.00 0.00 0.82 0.00 0.00 66.70 67.45 3k94 h VAL 89 Cb 0.31 1.24 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3k94 h VAL 89 CO -0.24 0.10 0.00 -0.62 0.02 0.00 0.00 177.57 176.83 3k94 n GLU 90 N -3.94 0.11 -0.25 1.57 1.02 -0.48 -3.87 120.64 114.80 3k94 n GLU 90 Ca -0.02 0.09 0.10 0.00 -0.02 0.00 0.00 57.16 57.30 3k94 n GLU 90 Cb 0.20 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.37 3k94 n GLU 90 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 3k94 n GLN 91 N -1.43 2.29 -3.63 3.49 1.13 -0.64 -4.96 117.38 113.62 3k94 n GLN 91 Ca 0.08 -1.99 -0.27 0.00 -1.94 0.00 0.00 57.00 52.88 3k94 n GLN 91 Cb 0.24 -1.45 0.03 0.00 0.11 0.00 0.00 30.24 29.17 3k94 n GLN 91 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 3k94 n THR 92 N 1.13 -5.86 -3.78 5.09 -2.24 -1.25 -4.97 114.28 102.40 3k94 n THR 92 Ca 0.19 -0.67 -0.32 0.00 -2.27 0.00 0.00 64.05 60.99 3k94 n THR 92 Cb 0.48 -4.36 -0.04 0.00 -2.10 0.00 0.00 70.33 64.31 3k94 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3k94 s ALA 93 N -3.31 3.88 -1.39 6.98 0.00 -1.26 -5.04 121.76 121.62 3k94 s ALA 93 Ca 0.32 -0.67 0.13 0.00 0.00 0.00 0.00 51.96 51.74 3k94 s ALA 93 Cb -0.12 -2.00 0.66 0.00 0.00 0.00 0.00 23.12 21.66 3k94 s ALA 93 CO 0.86 0.73 1.35 -2.13 0.00 0.00 0.00 175.76 176.57 3k94 n ARG 94 N 0.28 0.17 -3.62 0.00 0.63 -1.26 -4.89 116.66 107.96 3k94 n ARG 94 Ca -0.04 0.17 -0.04 0.00 -0.92 0.00 0.00 57.85 57.02 3k94 n ARG 94 Cb 0.52 -1.50 -0.06 0.00 0.45 0.00 0.00 32.46 31.87 3k94 n ARG 94 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3k94 s ILE 96 N -2.61 -0.34 -0.08 5.15 1.01 -0.72 -4.80 121.20 118.81 3k94 s ILE 96 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 60.65 60.82 3k94 s ILE 96 Cb 0.09 -1.00 -0.00 0.00 0.01 0.00 0.00 42.46 41.56 3k94 s ILE 96 CO 0.20 0.00 -0.23 -0.13 0.00 0.00 0.00 174.94 174.79 3k94 s ARG 97 N 2.04 2.66 -0.33 2.79 0.52 -0.35 -0.62 118.95 125.66 3k94 s ARG 97 Ca -0.08 -0.82 -0.11 0.00 -0.52 0.00 0.00 55.73 54.20 3k94 s ARG 97 Cb -0.07 -2.11 -0.00 0.00 0.52 0.00 0.00 34.95 33.29 3k94 s ARG 97 CO -0.19 0.23 0.19 -0.51 0.02 0.00 0.00 175.30 175.05 3k94 s LEU 98 N 0.18 4.35 0.28 2.53 1.43 0.15 -0.66 118.68 126.94 3k94 s LEU 98 Ca -0.12 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.45 3k94 s LEU 98 Cb -0.16 -2.05 -0.02 0.00 0.03 0.00 0.00 46.19 43.99 3k94 s LEU 98 CO 0.06 -0.24 0.40 -0.36 0.23 0.00 0.00 176.35 176.44 3k94 s PHE 99 N 1.63 3.30 -1.91 0.29 0.40 0.91 -1.55 117.98 121.05 3k94 s PHE 99 Ca 0.05 -0.11 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 3k94 s PHE 99 Cb -0.18 -1.74 0.00 0.00 0.51 0.00 0.00 43.02 41.62 3k94 s PHE 99 CO 0.07 0.26 0.00 0.41 0.70 0.00 0.00 175.22 176.67 3k94 n GLY 100 N -1.49 0.42 0.50 4.36 0.00 -1.26 -0.77 105.19 106.94 3k94 n GLY 100 Ca -0.05 -0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.04 3k94 n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k94 n ALA 101 N -0.76 3.08 -2.45 4.61 0.00 -1.26 -1.10 120.51 122.63 3k94 n ALA 101 Ca -0.23 -0.59 -0.25 0.00 0.00 0.00 0.00 53.44 52.36 3k94 n ALA 101 Cb 0.68 -0.64 -0.07 0.00 0.00 0.00 0.00 19.45 19.42 3k94 n ALA 101 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3k94 s THR 102 N -1.95 2.19 0.11 0.00 -4.23 -1.26 -3.88 115.64 106.63 3k94 s THR 102 Ca 0.17 -1.70 0.00 0.00 -1.18 0.00 0.00 61.69 58.98 3k94 s THR 102 Cb 0.15 -2.90 0.00 0.00 1.34 0.00 0.00 72.50 71.09 3k94 s THR 102 CO 0.40 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.09 3k94 n GLY 103 N -1.27 -1.58 7.00 3.99 0.00 -1.26 -4.26 105.19 107.81 3k94 n GLY 103 Ca -0.02 -1.41 0.00 0.00 0.00 0.00 0.00 46.02 44.59 3k94 n GLY 103 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k94 n GLY 104 N -2.19 3.79 3.64 -0.02 0.00 -1.26 -4.49 105.19 104.66 3k94 n GLY 104 Ca 0.00 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 3k94 n GLY 104 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3k94 s ARG 105 N 0.00 3.88 0.48 1.61 0.52 -1.26 -4.90 118.95 119.28 3k94 s ARG 105 Ca 0.00 1.86 0.30 0.00 -0.52 0.00 0.00 55.73 57.37 3k94 s ARG 105 Cb 0.00 -4.04 1.03 0.00 0.52 0.00 0.00 34.95 32.46 3k94 s ARG 105 CO 0.00 -1.20 1.85 -0.07 0.02 0.00 0.00 175.30 175.91 3k94 h LEU 106 N 11.41 0.00 -1.73 2.53 3.38 -2.00 -2.09 115.31 126.81 3k94 h LEU 106 Ca -0.36 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 3k94 h LEU 106 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.91 3k94 h LEU 106 CO 0.98 0.00 -0.16 -2.24 0.09 0.00 0.00 178.44 177.12 3k94 h ASP 107 N 0.00 0.00 0.18 -0.43 2.03 -1.94 -0.26 116.42 116.00 3k94 h ASP 107 Ca 0.00 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.29 3k94 h ASP 107 Cb 0.64 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.14 3k94 h ASP 107 CO 0.00 0.16 -0.09 0.45 -1.03 0.00 0.00 179.24 178.73 3k94 h HIS 108 N 0.00 -0.23 -0.05 4.15 3.86 -1.74 -1.42 115.15 119.72 3k94 h HIS 108 Ca -0.00 -0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3k94 h HIS 108 Cb 0.30 0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.80 3k94 h HIS 108 CO 0.00 0.08 -0.20 1.25 0.86 0.00 0.00 177.93 179.92 3k94 h LEU 109 N -0.54 -0.60 -0.78 2.43 5.85 -1.49 0.69 115.31 120.87 3k94 h LEU 109 Ca -0.03 0.09 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 3k94 h LEU 109 Cb 0.41 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3k94 h LEU 109 CO 0.04 -0.26 -0.01 -0.26 -0.34 0.00 0.00 178.44 177.61 3k94 h PHE 110 N -0.29 0.98 -0.82 1.25 0.04 -1.11 -0.51 116.94 116.48 3k94 h PHE 110 Ca 0.07 -0.16 -0.04 0.00 2.80 0.00 0.00 57.97 60.65 3k94 h PHE 110 Cb 0.40 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.25 3k94 h PHE 110 CO -0.27 0.89 0.36 0.78 -0.60 0.00 0.00 178.31 179.47 3k94 h GLY 111 N 0.99 1.29 1.40 -1.45 0.00 -1.07 -1.89 103.07 102.35 3k94 h GLY 111 Ca 0.15 -0.68 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 3k94 h GLY 111 CO 0.03 0.64 0.14 3.43 0.00 0.00 0.00 176.54 180.77 3k94 h ASN 112 N 1.18 0.70 -0.59 0.19 2.35 -0.15 -2.07 115.58 117.19 3k94 h ASN 112 Ca 0.28 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.84 3k94 h ASN 112 Cb 0.18 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3k94 h ASN 112 CO -0.03 0.68 0.08 0.58 -1.65 0.00 0.00 177.43 177.09 3k94 h VAL 113 N 0.73 1.26 -0.53 2.81 2.07 -0.72 -1.79 116.25 120.08 3k94 h VAL 113 Ca 0.17 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.64 3k94 h VAL 113 Cb 0.25 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 3k94 h VAL 113 CO -0.01 0.38 0.28 -0.33 0.02 0.00 0.00 177.57 177.91 3k94 h GLU 114 N 0.95 0.73 -0.19 1.57 4.39 -0.91 -1.36 114.58 119.75 3k94 h GLU 114 Ca 0.19 -0.08 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 3k94 h GLU 114 Cb 0.45 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 28.94 3k94 h GLU 114 CO 0.02 0.55 0.11 -0.07 -1.16 0.00 0.00 179.01 178.46 3k94 h LEU 115 N 0.74 0.23 -1.36 1.33 3.38 -0.89 -0.06 115.31 118.68 3k94 h LEU 115 Ca 0.19 -0.05 0.09 0.00 0.09 0.00 0.00 57.88 58.20 3k94 h LEU 115 Cb 0.04 -0.06 -0.05 0.00 0.09 0.00 0.00 40.66 40.68 3k94 h LEU 115 CO -0.03 0.21 0.51 -0.07 0.09 0.00 0.00 178.44 179.15 3k94 h LEU 116 N 0.23 0.65 -0.05 1.67 4.07 -0.71 -1.42 115.31 119.76 3k94 h LEU 116 Ca 0.07 0.01 -0.18 0.00 0.08 0.00 0.00 57.88 57.87 3k94 h LEU 116 Cb 0.02 -0.12 0.01 0.00 1.08 0.00 0.00 40.66 41.65 3k94 h LEU 116 CO -0.01 0.39 -0.66 -0.07 -1.08 0.00 0.00 178.44 177.01 3k94 h LEU 117 N 0.73 0.67 -1.11 1.67 3.38 -0.86 -1.17 115.31 118.62 3k94 h LEU 117 Ca 0.36 -0.71 0.11 0.00 0.09 0.00 0.00 57.88 57.73 3k94 h LEU 117 Cb 0.43 -0.20 -0.07 0.00 0.09 0.00 0.00 40.66 40.90 3k94 h LEU 117 CO -0.13 1.28 0.61 0.50 0.09 0.00 0.00 178.44 180.78 3k94 h LYS 118 N 0.12 0.91 -0.95 1.13 3.64 -0.61 -2.47 116.57 118.34 3k94 h LYS 118 Ca -0.07 -0.05 -0.65 0.00 -1.27 0.00 0.00 60.65 58.61 3k94 h LYS 118 Cb 1.34 -0.21 -0.32 0.00 -0.41 0.00 0.00 32.23 32.63 3k94 h LYS 118 CO 0.13 0.60 0.47 0.66 -2.27 0.00 0.00 179.45 179.05 3k94 n TYR 119 N -4.57 3.12 0.26 1.91 4.01 -0.57 -4.74 117.16 116.58 3k94 n TYR 119 Ca 0.17 -2.84 0.13 0.00 -0.16 0.00 0.00 57.90 55.20 3k94 n TYR 119 Cb 0.33 -1.19 0.69 0.00 -0.31 0.00 0.00 39.34 38.87 3k94 n TYR 119 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3k94 h ALA 120 N 2.06 1.20 0.00 -0.72 0.00 -0.72 -0.76 119.26 120.31 3k94 h ALA 120 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.34 3k94 h ALA 120 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.74 3k94 h ALA 120 CO 1.40 0.16 0.00 -0.40 0.00 0.00 0.00 179.25 180.41 3k94 n ASP 121 N -3.53 0.00 -4.82 0.00 5.75 -1.26 -4.42 116.55 108.27 3k94 n ASP 121 Ca -0.01 0.15 -0.30 0.00 -0.01 0.00 0.00 54.79 54.61 3k94 n ASP 121 Cb 0.27 -0.36 -0.06 0.00 -1.03 0.00 0.00 41.12 39.94 3k94 n ASP 121 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k94 s ARG 122 N -2.73 3.04 -0.80 0.11 1.81 -0.29 -5.04 118.95 115.05 3k94 s ARG 122 Ca 0.19 -0.64 -0.26 0.00 -1.72 0.00 0.00 55.73 53.30 3k94 s ARG 122 Cb 0.16 -2.81 0.03 0.00 -0.45 0.00 0.00 34.95 31.89 3k94 s ARG 122 CO 0.39 0.57 1.32 -1.25 -0.68 0.00 0.00 175.30 175.64 3k94 s PRO 123 N -2.52 3.28 -0.02 3.54 0.05 -1.26 -4.96 135.00 133.11 3k94 s PRO 123 Ca 0.31 -0.43 0.02 0.00 0.05 0.00 0.00 61.00 60.95 3k94 s PRO 123 Cb -0.12 -4.43 0.01 0.00 0.05 0.00 0.00 34.50 30.00 3k94 s PRO 123 CO 0.24 -2.16 -0.08 0.42 0.05 0.00 0.00 177.00 175.47 3k94 s ILE 124 N 5.57 0.68 0.04 0.56 1.01 -1.26 -1.75 121.20 126.05 3k94 s ILE 124 Ca 0.37 -0.30 0.09 0.00 0.00 0.00 0.00 60.65 60.81 3k94 s ILE 124 Cb -0.06 -0.62 -0.03 0.00 0.01 0.00 0.00 42.46 41.76 3k94 s ILE 124 CO 0.10 0.22 -0.26 -1.61 0.00 0.00 0.00 174.94 173.39 3k94 s GLU 125 N 0.26 1.81 -0.19 2.79 2.02 0.21 -4.60 118.70 121.00 3k94 s GLU 125 Ca -0.04 -1.07 -0.14 0.00 0.02 0.00 0.00 54.97 53.74 3k94 s GLU 125 Cb -0.08 -1.94 -0.04 0.00 0.10 0.00 0.00 34.13 32.16 3k94 s GLU 125 CO 0.00 0.51 0.33 0.42 0.02 0.00 0.00 175.26 176.54 3k94 s ILE 126 N -0.77 5.26 -0.04 -1.63 1.01 -0.22 -0.68 121.20 124.13 3k94 s ILE 126 Ca 0.11 0.58 0.03 0.00 0.00 0.00 0.00 60.65 61.37 3k94 s ILE 126 Cb -0.10 -3.66 0.01 0.00 0.01 0.00 0.00 42.46 38.71 3k94 s ILE 126 CO 0.02 0.32 -0.11 -0.69 0.00 0.00 0.00 174.94 174.48 3k94 s VAL 127 N 0.90 0.96 0.25 2.92 1.01 -0.59 -0.28 120.40 125.56 3k94 s VAL 127 Ca 0.17 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.76 3k94 s VAL 127 Cb -0.14 -0.87 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 3k94 s VAL 127 CO 0.06 0.30 0.26 -0.90 0.00 0.00 0.00 175.10 174.82 3k94 n ASP 128 N 3.49 -0.67 0.10 3.32 5.68 -0.67 -4.31 116.55 123.48 3k94 n ASP 128 Ca -0.20 -2.56 0.07 0.00 -0.50 0.00 0.00 54.79 51.59 3k94 n ASP 128 Cb 0.53 1.44 0.36 0.00 -1.14 0.00 0.00 41.12 42.30 3k94 n ASP 128 CO 0.00 0.00 0.00 -2.11 -1.33 0.00 0.00 177.20 173.76 3k94 n ARG 129 N -0.46 0.08 0.00 0.11 1.85 -0.00 -2.30 116.66 115.94 3k94 n ARG 129 Ca 0.04 0.58 0.00 0.00 -1.00 0.00 0.00 57.85 57.47 3k94 n ARG 129 Cb 0.44 -1.80 0.00 0.00 -1.05 0.00 0.00 32.46 30.05 3k94 n ARG 129 CO 0.00 0.00 0.00 1.04 -0.01 0.00 0.00 177.63 178.66 3k94 n GLN 130 N -1.96 -0.10 -3.79 2.89 6.02 -1.26 -4.94 117.38 114.23 3k94 n GLN 130 Ca -0.01 -0.35 -0.13 0.00 -0.01 0.00 0.00 57.00 56.50 3k94 n GLN 130 Cb 0.05 -0.72 -0.10 0.00 1.02 0.00 0.00 30.24 30.49 3k94 n GLN 130 CO 0.00 0.00 0.00 -0.80 -1.01 0.00 0.00 177.06 175.25 3k94 s ASN 131 N -0.08 -0.17 -0.13 1.08 0.01 -0.97 -1.83 114.94 112.84 3k94 s ASN 131 Ca 0.00 0.19 -0.00 0.00 -0.71 0.00 0.00 52.86 52.33 3k94 s ASN 131 Cb 0.00 0.38 0.03 0.00 0.41 0.00 0.00 41.25 42.07 3k94 s ASN 131 CO 0.00 -0.30 -0.08 -0.69 -1.51 0.00 0.00 177.10 174.53 3k94 s VAL 132 N -0.79 1.10 -0.17 1.60 1.01 0.16 -1.67 120.40 121.64 3k94 s VAL 132 Ca -0.09 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 3k94 s VAL 132 Cb -0.05 -1.14 -0.01 0.00 0.00 0.00 0.00 36.38 35.18 3k94 s VAL 132 CO 0.02 0.32 -0.10 -0.22 0.00 0.00 0.00 175.10 175.12 3k94 s LEU 133 N 1.67 2.74 0.13 3.92 0.20 0.61 -1.27 118.68 126.69 3k94 s LEU 133 Ca 0.04 -0.37 0.04 0.00 0.69 0.00 0.00 54.13 54.52 3k94 s LEU 133 Cb -0.13 -1.65 -0.04 0.00 -0.43 0.00 0.00 46.19 43.94 3k94 s LEU 133 CO -0.08 0.08 -0.09 0.42 -0.29 0.00 0.00 176.35 176.39 3k94 s THR 134 N 0.83 1.04 0.08 3.68 -4.23 -1.26 -1.06 115.64 114.73 3k94 s THR 134 Ca -0.03 -2.03 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3k94 s THR 134 Cb -0.15 -1.81 -0.03 0.00 1.34 0.00 0.00 72.50 71.85 3k94 s THR 134 CO 0.01 -0.78 -0.15 0.68 -0.54 0.00 0.00 174.62 173.83 3k94 s VAL 135 N -3.41 1.24 -0.04 2.29 -7.23 -1.26 -4.70 120.40 107.30 3k94 s VAL 135 Ca 0.15 -1.39 -0.04 0.00 -1.81 0.00 0.00 61.98 58.89 3k94 s VAL 135 Cb 0.03 -1.21 0.01 0.00 0.56 0.00 0.00 36.38 35.77 3k94 s VAL 135 CO -0.01 -0.22 0.11 -1.00 -0.31 0.00 0.00 175.10 173.68 3k94 s HIS 136 N -1.35 -0.09 0.53 2.82 3.76 -0.13 -4.88 115.29 115.95 3k94 s HIS 136 Ca 0.01 0.22 0.03 0.00 -0.15 0.00 0.00 55.06 55.16 3k94 s HIS 136 Cb -0.09 0.02 0.03 0.00 1.11 0.00 0.00 32.58 33.65 3k94 s HIS 136 CO 0.03 -0.10 0.74 -0.51 -0.85 0.00 0.00 174.74 174.05 3k94 s LEU 137 N -0.20 3.34 0.27 0.89 1.43 -1.26 -1.66 118.68 121.48 3k94 s LEU 137 Ca -0.03 -0.12 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 3k94 s LEU 137 Cb -0.02 -2.78 -0.14 0.00 0.03 0.00 0.00 46.19 43.28 3k94 s LEU 137 CO 0.00 -1.09 1.18 -2.65 0.23 0.00 0.00 176.35 174.03 3k94 n PRO 138 N -2.25 1.62 -3.78 1.29 -0.02 -1.25 -4.88 135.00 125.73 3k94 n PRO 138 Ca 0.08 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.13 3k94 n PRO 138 Cb 0.60 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.00 3k94 n PRO 138 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k94 n GLY 139 N 1.50 -1.57 3.08 -1.23 0.00 -0.85 -5.00 105.19 101.12 3k94 n GLY 139 Ca 0.10 -1.16 -0.30 0.00 0.00 0.00 0.00 46.02 44.66 3k94 n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3k94 s THR 140 N -2.82 1.67 0.01 2.61 2.01 -1.26 -2.13 115.64 115.73 3k94 s THR 140 Ca 0.00 -0.73 0.08 0.00 0.31 0.00 0.00 61.69 61.35 3k94 s THR 140 Cb 0.00 -1.53 -0.02 0.00 0.01 0.00 0.00 72.50 70.96 3k94 s THR 140 CO 0.00 0.48 -0.24 -0.31 -0.69 0.00 0.00 174.62 173.86 3k94 s TYR 141 N 1.10 2.10 -0.04 4.92 2.02 0.93 -4.99 117.35 123.39 3k94 s TYR 141 Ca -0.03 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.13 3k94 s TYR 141 Cb -0.14 -1.30 -0.05 0.00 -0.40 0.00 0.00 41.96 40.06 3k94 s TYR 141 CO -0.05 0.04 0.37 0.99 -1.57 0.00 0.00 175.55 175.33 3k94 s THR 142 N -0.68 5.14 0.23 -0.71 2.01 -1.26 -1.42 115.64 118.95 3k94 s THR 142 Ca 0.09 0.74 0.01 0.00 0.31 0.00 0.00 61.69 62.84 3k94 s THR 142 Cb -0.09 -3.67 0.01 0.00 0.01 0.00 0.00 72.50 68.75 3k94 s THR 142 CO 0.01 0.54 0.05 0.52 -0.69 0.00 0.00 174.62 175.05 3k94 n VAL 143 N 2.21 0.00 -4.20 3.82 0.31 0.25 -4.98 118.33 115.74 3k94 n VAL 143 Ca -0.14 -1.03 -0.35 0.00 -0.01 0.00 0.00 64.34 62.81 3k94 n VAL 143 Cb 0.53 0.06 -0.10 0.00 -0.91 0.00 0.00 33.84 33.42 3k94 n VAL 143 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 3k94 s TYR 145 N -1.63 3.22 -0.06 3.52 5.04 0.01 -0.83 117.35 126.62 3k94 s TYR 145 Ca 0.04 0.11 -0.02 0.00 -2.44 0.00 0.00 57.07 54.76 3k94 s TYR 145 Cb -0.00 -1.93 0.03 0.00 0.35 0.00 0.00 41.96 40.40 3k94 s TYR 145 CO 0.03 0.31 0.03 0.34 -1.34 0.00 0.00 175.55 174.91 3k94 s ASP 146 N -0.27 1.36 0.54 4.32 -1.08 -1.26 -5.02 116.67 115.26 3k94 s ASP 146 Ca 0.07 -0.01 0.21 0.00 -0.52 0.00 0.00 52.55 52.30 3k94 s ASP 146 Cb -0.12 -0.31 1.42 0.00 -1.46 0.00 0.00 42.92 42.45 3k94 s ASP 146 CO 0.02 -0.22 2.12 0.00 0.52 0.00 0.00 175.17 177.62 3k94 h ALA 147 N 8.35 2.02 0.00 3.66 0.00 -2.03 -1.35 119.26 129.91 3k94 h ALA 147 Ca -0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3k94 h ALA 147 Cb 1.12 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.92 3k94 h ALA 147 CO 0.22 -0.18 0.00 0.00 0.00 0.00 0.00 179.25 179.29 3k94 h ARG 148 N 0.00 0.00 -3.10 0.00 3.08 -1.98 -3.42 114.38 108.95 3k94 h ARG 148 Ca 0.07 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.63 3k94 h ARG 148 Cb 0.28 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 29.93 3k94 h ARG 148 CO -0.00 0.00 -0.76 0.71 -1.07 0.00 0.00 179.97 178.85 3k94 s TYR 149 N -3.75 0.42 -2.63 3.04 2.02 -0.51 -4.45 117.35 111.48 3k94 s TYR 149 Ca -0.01 -0.57 0.24 0.00 -0.37 0.00 0.00 57.07 56.37 3k94 s TYR 149 Cb 0.10 -0.83 0.31 0.00 -0.40 0.00 0.00 41.96 41.14 3k94 s TYR 149 CO 0.43 -0.60 1.31 0.00 -1.57 0.00 0.00 175.55 175.12 3k94 s TYR 151 N -2.14 2.46 -0.06 0.00 2.02 -0.66 -4.66 117.35 114.31 3k94 s TYR 151 Ca 0.27 -0.31 -0.01 0.00 -0.37 0.00 0.00 57.07 56.64 3k94 s TYR 151 Cb 0.20 -1.39 0.03 0.00 -0.40 0.00 0.00 41.96 40.40 3k94 s TYR 151 CO 0.38 0.27 0.01 0.08 -1.57 0.00 0.00 175.55 174.72 3k94 s VAL 152 N -0.97 0.26 0.11 0.71 1.01 -0.45 -1.03 120.40 120.04 3k94 s VAL 152 Ca 0.15 0.18 0.10 0.00 0.00 0.00 0.00 61.98 62.41 3k94 s VAL 152 Cb -0.10 -0.43 -0.04 0.00 0.00 0.00 0.00 36.38 35.81 3k94 s VAL 152 CO 0.06 0.23 -0.25 -0.44 0.00 0.00 0.00 175.10 174.70 3k94 s SER 153 N 1.90 3.07 -0.08 3.32 0.01 0.63 -1.07 113.70 121.48 3k94 s SER 153 Ca 0.03 -0.70 0.03 0.00 1.31 0.00 0.00 55.95 56.62 3k94 s SER 153 Cb -0.12 -0.21 0.01 0.00 0.21 0.00 0.00 66.02 65.90 3k94 s SER 153 CO -0.04 0.16 -0.18 -0.31 0.41 0.00 0.00 173.24 173.28 3k94 s TYR 154 N -1.03 1.99 -0.06 2.43 2.02 -0.63 -0.95 117.35 121.12 3k94 s TYR 154 Ca 0.12 -0.79 0.01 0.00 -0.37 0.00 0.00 57.07 56.04 3k94 s TYR 154 Cb -0.10 -1.38 0.02 0.00 -0.40 0.00 0.00 41.96 40.10 3k94 s TYR 154 CO 0.05 -0.35 -0.07 0.42 -1.57 0.00 0.00 175.55 174.03 3k94 s ILE 155 N 0.52 0.76 0.25 2.71 1.01 -1.26 -1.32 121.20 123.88 3k94 s ILE 155 Ca -0.17 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 59.95 3k94 s ILE 155 Cb -0.17 -0.75 -0.09 0.00 0.01 0.00 0.00 42.46 41.45 3k94 s ILE 155 CO 0.06 0.28 1.31 -2.16 0.00 0.00 0.00 174.94 174.43 3k94 s PRO 156 N 0.94 4.39 -0.24 2.79 0.04 -1.26 -4.63 135.00 137.02 3k94 s PRO 156 Ca -0.10 2.11 -0.01 0.00 0.04 0.00 0.00 61.00 63.04 3k94 s PRO 156 Cb -0.15 -3.14 -0.15 0.00 0.04 0.00 0.00 34.50 31.10 3k94 s PRO 156 CO 0.00 -0.21 -0.23 0.28 0.04 0.00 0.00 177.00 176.88 3k94 n VAL 157 N 1.88 1.39 -1.56 -0.36 0.31 -0.13 -4.94 118.33 114.92 3k94 n VAL 157 Ca 0.04 -0.50 -0.29 0.00 -0.01 0.00 0.00 64.34 63.57 3k94 n VAL 157 Cb 0.42 -1.44 0.11 0.00 -0.91 0.00 0.00 33.84 32.03 3k94 n VAL 157 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3k94 s SER 158 N -6.50 4.08 0.22 4.52 1.04 -1.15 -4.96 113.70 110.95 3k94 s SER 158 Ca -0.33 1.14 -0.08 0.00 0.48 0.00 0.00 55.95 57.17 3k94 s SER 158 Cb 0.09 -1.80 0.27 0.00 0.10 0.00 0.00 66.02 64.68 3k94 s SER 158 CO 0.54 -2.21 1.84 -0.08 0.98 0.00 0.00 173.24 174.31 3k94 h GLU 159 N -1.26 0.85 -4.82 4.02 4.57 -1.93 -3.41 114.58 112.61 3k94 h GLU 159 Ca -0.48 -0.05 -0.31 0.00 -1.18 0.00 0.00 59.36 57.33 3k94 h GLU 159 Cb 1.30 -0.19 -0.21 0.00 -0.16 0.00 0.00 28.75 29.49 3k94 h GLU 159 CO 0.61 0.56 -0.74 0.95 -1.18 0.00 0.00 179.01 179.21 3k94 s THR 160 N -6.09 0.74 -0.09 0.32 -4.23 -1.26 -0.59 115.64 104.44 3k94 s THR 160 Ca -0.13 -1.24 0.02 0.00 -1.18 0.00 0.00 61.69 59.16 3k94 s THR 160 Cb 0.17 -0.87 0.01 0.00 1.34 0.00 0.00 72.50 73.16 3k94 s THR 160 CO 0.78 -0.38 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.64 3k94 s VAL 161 N -1.58 1.37 0.03 2.29 1.01 -0.37 -4.28 120.40 118.87 3k94 s VAL 161 Ca -0.05 -0.59 0.01 0.00 0.00 0.00 0.00 61.98 61.35 3k94 s VAL 161 Cb -0.08 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.01 3k94 s VAL 161 CO 0.01 0.41 0.08 0.00 0.00 0.00 0.00 175.10 175.59 3k94 s ALA 162 N 0.85 3.56 -1.39 5.51 0.00 -0.56 -1.35 121.76 128.38 3k94 s ALA 162 Ca -0.10 -0.93 -0.03 0.00 0.00 0.00 0.00 51.96 50.89 3k94 s ALA 162 Cb -0.15 -1.51 0.02 0.00 0.00 0.00 0.00 23.12 21.48 3k94 s ALA 162 CO 0.01 0.71 0.69 0.39 0.00 0.00 0.00 175.76 177.56 3k94 n GLU 163 N 0.91 -4.58 -2.56 0.00 1.02 -1.26 -0.49 120.64 113.67 3k94 n GLU 163 Ca -0.11 0.56 -0.42 0.00 -0.02 0.00 0.00 57.16 57.16 3k94 n GLU 163 Cb 0.52 -5.08 -0.03 0.00 -0.02 0.00 0.00 31.44 26.84 3k94 n GLU 163 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 3k94 s PHE 164 N -3.66 3.41 -0.02 -0.32 5.36 -1.26 -3.95 117.98 117.55 3k94 s PHE 164 Ca 0.15 1.42 0.00 0.00 -0.96 0.00 0.00 56.93 57.54 3k94 s PHE 164 Cb -0.07 -3.30 0.02 0.00 -0.34 0.00 0.00 43.02 39.32 3k94 s PHE 164 CO 0.84 -0.78 0.01 0.99 -1.46 0.00 0.00 175.22 174.82 3k94 s THR 165 N 1.71 0.06 -0.06 0.12 2.01 -0.27 -2.31 115.64 116.90 3k94 s THR 165 Ca 0.54 0.08 0.03 0.00 0.31 0.00 0.00 61.69 62.65 3k94 s THR 165 Cb -0.23 -0.13 -0.02 0.00 0.01 0.00 0.00 72.50 72.12 3k94 s THR 165 CO 0.23 0.08 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.34 3k94 s LEU 166 N 0.65 2.68 -0.07 4.42 1.43 0.30 -1.83 118.68 126.27 3k94 s LEU 166 Ca -0.06 -0.24 0.02 0.00 -1.03 0.00 0.00 54.13 52.82 3k94 s LEU 166 Cb -0.09 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.60 3k94 s LEU 166 CO -0.02 0.31 -0.13 0.42 0.23 0.00 0.00 176.35 177.16 3k94 s THR 167 N -0.49 1.22 0.00 5.49 -4.23 -0.50 -4.16 115.64 112.97 3k94 s THR 167 Ca 0.06 -0.53 0.00 0.00 -1.18 0.00 0.00 61.69 60.04 3k94 s THR 167 Cb -0.12 -1.10 0.00 0.00 1.34 0.00 0.00 72.50 72.62 3k94 s THR 167 CO 0.02 0.37 0.00 0.61 -0.54 0.00 0.00 174.62 175.08 3k94 n GLY 168 N 3.76 0.96 3.70 3.99 0.00 -1.26 -1.16 105.19 115.19 3k94 n GLY 168 Ca -0.22 -0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.55 3k94 n GLY 168 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k94 s PHE 169 N -2.00 2.88 0.25 1.61 0.40 -1.26 -0.43 117.98 119.43 3k94 s PHE 169 Ca 0.00 -0.14 -0.02 0.00 -0.60 0.00 0.00 56.93 56.16 3k94 s PHE 169 Cb 0.00 -1.35 0.31 0.00 0.51 0.00 0.00 43.02 42.50 3k94 s PHE 169 CO 0.00 0.55 1.74 -0.22 0.70 0.00 0.00 175.22 177.99 3k94 h LYS 170 N 2.24 0.79 -4.59 0.44 3.64 -0.91 -3.35 116.57 114.83 3k94 h LYS 170 Ca -0.47 -0.22 -0.68 0.00 -1.27 0.00 0.00 60.65 58.01 3k94 h LYS 170 Cb 1.22 -0.09 -0.37 0.00 -0.41 0.00 0.00 32.23 32.59 3k94 h LYS 170 CO 0.60 0.82 -0.64 0.71 -2.27 0.00 0.00 179.45 178.67 3k94 s TYR 171 N -4.94 3.65 0.49 1.91 2.02 -1.26 -5.03 117.35 114.18 3k94 s TYR 171 Ca -0.09 -2.65 -0.19 0.00 -0.37 0.00 0.00 57.07 53.76 3k94 s TYR 171 Cb 0.14 -3.02 -0.08 0.00 -0.40 0.00 0.00 41.96 38.60 3k94 s TYR 171 CO 0.81 -0.95 1.01 -2.14 -1.57 0.00 0.00 175.55 172.71 3k94 s PRO 172 N 1.04 3.88 0.00 -1.71 0.02 -1.26 -4.99 135.00 131.98 3k94 s PRO 172 Ca 0.09 1.22 0.01 0.00 0.02 0.00 0.00 61.00 62.34 3k94 s PRO 172 Cb -0.21 -2.12 -0.01 0.00 0.02 0.00 0.00 34.50 32.19 3k94 s PRO 172 CO -0.06 -0.35 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.71 3k94 s LEU 173 N -3.61 2.04 -0.06 -5.54 1.43 -1.26 -4.99 118.68 106.69 3k94 s LEU 173 Ca 0.64 -0.13 -0.02 0.00 -1.03 0.00 0.00 54.13 53.60 3k94 s LEU 173 Cb -0.13 -0.20 0.03 0.00 0.03 0.00 0.00 46.19 45.92 3k94 s LEU 173 CO 0.22 0.02 0.04 -0.89 0.23 0.00 0.00 176.35 175.97 3k94 s THR 174 N -0.25 0.05 0.04 5.49 2.01 -1.26 -0.54 115.64 121.19 3k94 s THR 174 Ca 0.00 0.29 0.00 0.00 0.31 0.00 0.00 61.69 62.30 3k94 s THR 174 Cb -0.03 -0.30 0.00 0.00 0.01 0.00 0.00 72.50 72.18 3k94 s THR 174 CO -0.00 0.18 0.00 -3.20 -0.69 0.00 0.00 174.62 170.91 3k94 n ASN 175 N 5.25 -4.35 -3.74 3.53 5.15 -0.98 -4.95 115.26 115.16 3k94 n ASN 175 Ca -0.05 1.33 -0.14 0.00 -0.60 0.00 0.00 54.58 55.13 3k94 n ASN 175 Cb 0.50 -3.22 -0.14 0.00 -0.53 0.00 0.00 39.78 36.38 3k94 n ASN 175 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 3k94 s HIS 177 N -0.27 -0.18 -0.13 1.20 2.46 -1.26 -4.71 115.29 112.40 3k94 s HIS 177 Ca 0.00 0.53 0.01 0.00 0.47 0.00 0.00 55.06 56.07 3k94 s HIS 177 Cb 0.00 -0.08 -0.01 0.00 -0.13 0.00 0.00 32.58 32.37 3k94 s HIS 177 CO 0.00 -0.18 -0.17 0.42 -2.47 0.00 0.00 174.74 172.34 3k94 s ILE 178 N 1.23 2.66 -0.13 0.89 -1.09 -0.46 -5.00 121.20 119.30 3k94 s ILE 178 Ca -0.09 -0.79 0.02 0.00 -2.23 0.00 0.00 60.65 57.56 3k94 s ILE 178 Cb -0.11 -2.09 0.01 0.00 -1.58 0.00 0.00 42.46 38.68 3k94 s ILE 178 CO -0.06 0.53 -0.20 -0.44 -1.23 0.00 0.00 174.94 173.54 3k94 s SER 179 N 0.51 2.87 0.34 3.58 0.01 -1.26 -1.24 113.70 118.51 3k94 s SER 179 Ca -0.11 -0.54 -0.29 0.00 1.31 0.00 0.00 55.95 56.32 3k94 s SER 179 Cb -0.16 -1.32 -0.11 0.00 0.21 0.00 0.00 66.02 64.64 3k94 s SER 179 CO 0.05 0.06 1.41 -0.60 0.41 0.00 0.00 173.24 174.57 3k94 s ARG 180 N 0.88 4.23 0.00 12.44 3.52 0.24 0.12 118.95 140.37 3k94 s ARG 180 Ca -0.07 2.40 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 3k94 s ARG 180 Cb -0.15 -3.03 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 3k94 s ARG 180 CO -0.02 -0.38 0.00 0.41 -0.81 0.00 0.00 175.30 174.50 3k94 n GLY 181 N 0.88 2.75 0.13 8.12 0.00 -1.26 -4.72 105.19 111.10 3k94 n GLY 181 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 3k94 n GLY 181 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3k94 n SER 182 N 0.50 1.98 -4.32 1.61 2.88 -0.64 -4.72 113.62 110.92 3k94 n SER 182 Ca 0.00 0.03 -0.42 0.00 -1.33 0.00 0.00 58.87 57.16 3k94 n SER 182 Cb 0.00 -0.56 -0.09 0.00 -0.75 0.00 0.00 64.21 62.80 3k94 n SER 182 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 3k94 s THR 183 N -2.52 4.57 -0.64 2.46 2.01 0.12 -4.99 115.64 116.65 3k94 s THR 183 Ca -0.36 -1.24 0.25 0.00 0.31 0.00 0.00 61.69 60.65 3k94 s THR 183 Cb 0.11 -3.75 0.24 0.00 0.01 0.00 0.00 72.50 69.11 3k94 s THR 183 CO 0.57 -0.50 1.64 -0.07 -0.69 0.00 0.00 174.62 175.57 3k94 h LEU 184 N 8.52 0.00 -7.10 4.42 3.38 -1.84 -3.41 115.31 119.28 3k94 h LEU 184 Ca -0.25 -0.04 -0.55 0.00 0.09 0.00 0.00 57.88 57.14 3k94 h LEU 184 Cb 1.09 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.44 3k94 h LEU 184 CO 0.79 0.02 -0.76 -0.63 0.09 0.00 0.00 178.44 177.94 3k94 s ILE 186 N -3.14 0.51 0.36 1.22 1.01 -0.43 -4.80 121.20 115.93 3k94 s ILE 186 Ca 0.09 -0.96 -0.25 0.00 0.00 0.00 0.00 60.65 59.53 3k94 s ILE 186 Cb 0.11 -1.28 -0.10 0.00 0.01 0.00 0.00 42.46 41.20 3k94 s ILE 186 CO 0.64 -0.54 0.99 -0.44 0.00 0.00 0.00 174.94 175.58 3k94 s SER 187 N 1.82 7.08 0.29 3.58 0.01 -1.26 -1.61 113.70 123.61 3k94 s SER 187 Ca 0.06 1.90 -0.19 0.00 1.31 0.00 0.00 55.95 59.03 3k94 s SER 187 Cb -0.17 -2.58 0.07 0.00 0.21 0.00 0.00 66.02 63.55 3k94 s SER 187 CO -0.23 -0.26 0.91 0.21 0.41 0.00 0.00 173.24 174.29 3k94 s ASN 188 N -1.66 0.01 -0.16 2.44 3.84 -0.23 -4.90 114.94 114.28 3k94 s ASN 188 Ca 0.54 -0.93 -0.10 0.00 0.21 0.00 0.00 52.86 52.59 3k94 s ASN 188 Cb -0.19 0.69 0.05 0.00 -0.55 0.00 0.00 41.25 41.25 3k94 s ASN 188 CO 0.24 -1.36 0.39 -0.70 -2.79 0.00 0.00 177.10 172.88 3k94 s GLU 189 N -2.21 0.39 -0.25 0.43 2.12 -1.26 -1.34 118.70 116.57 3k94 s GLU 189 Ca 0.19 0.72 -0.29 0.00 0.36 0.00 0.00 54.97 55.95 3k94 s GLU 189 Cb -0.04 0.01 0.01 0.00 0.26 0.00 0.00 34.13 34.37 3k94 s GLU 189 CO 0.09 -0.14 1.06 -1.17 -0.54 0.00 0.00 175.26 174.56 3k94 s LEU 190 N 1.19 4.07 -0.14 2.70 2.96 -1.26 -0.16 118.68 128.03 3k94 s LEU 190 Ca -0.08 1.33 0.15 0.00 -0.22 0.00 0.00 54.13 55.31 3k94 s LEU 190 Cb -0.08 -3.54 0.48 0.00 0.50 0.00 0.00 46.19 43.55 3k94 s LEU 190 CO -0.10 -0.72 1.38 2.30 -1.32 0.00 0.00 176.35 177.88 3k94 n ILE 191 N 5.45 2.01 -4.39 6.68 -5.35 0.43 -4.92 119.36 119.26 3k94 n ILE 191 Ca 0.12 -1.70 -0.20 0.00 -0.27 0.00 0.00 62.75 60.70 3k94 n ILE 191 Cb 0.46 -0.10 -0.10 0.00 -1.74 0.00 0.00 39.64 38.17 3k94 n ILE 191 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 3k94 s GLN 192 N -2.44 1.63 0.28 6.28 -1.52 -1.18 -4.98 119.66 117.72 3k94 s GLN 192 Ca 0.38 -1.93 0.03 0.00 -1.95 0.00 0.00 55.36 51.89 3k94 s GLN 192 Cb 0.29 -0.41 0.40 0.00 -0.22 0.00 0.00 33.01 33.07 3k94 s GLN 192 CO 0.10 -0.36 1.69 0.66 -0.25 0.00 0.00 175.29 177.13 3k94 h SER 193 N 2.14 0.41 -4.92 5.90 4.64 -1.93 -3.41 113.55 116.38 3k94 h SER 193 Ca -0.37 -0.16 -0.17 0.00 -0.47 0.00 0.00 61.79 60.63 3k94 h SER 193 Cb 1.25 -0.11 -0.21 0.00 -0.31 0.00 0.00 62.40 63.02 3k94 h SER 193 CO 0.59 0.72 -0.68 -0.94 -0.87 0.00 0.00 176.83 175.65 3k94 s SER 194 N -6.85 0.21 0.28 4.97 1.04 -1.26 -0.81 113.70 111.28 3k94 s SER 194 Ca -0.06 -0.45 0.04 0.00 0.48 0.00 0.00 55.95 55.95 3k94 s SER 194 Cb 0.13 0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.32 3k94 s SER 194 CO 0.79 -0.29 0.21 -0.83 0.98 0.00 0.00 173.24 174.09 3k94 s GLY 195 N -1.39 1.95 0.09 7.32 0.00 -0.01 -4.81 107.32 110.47 3k94 s GLY 195 Ca -0.15 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.72 3k94 s GLY 195 CO -0.01 -1.46 -0.12 -0.51 0.00 0.00 0.00 173.10 171.01 3k94 s THR 196 N -3.75 1.00 0.03 0.90 -4.23 -0.31 -0.58 115.64 108.72 3k94 s THR 196 Ca 0.39 -1.47 0.06 0.00 -1.18 0.00 0.00 61.69 59.49 3k94 s THR 196 Cb 0.04 -1.19 -0.02 0.00 1.34 0.00 0.00 72.50 72.67 3k94 s THR 196 CO 0.20 -0.40 -0.16 0.72 -0.54 0.00 0.00 174.62 174.44 3k94 s PHE 197 N -1.87 1.44 0.03 3.99 -0.71 -0.50 -1.40 117.98 118.94 3k94 s PHE 197 Ca 0.02 -0.35 -0.11 0.00 -1.04 0.00 0.00 56.93 55.45 3k94 s PHE 197 Cb -0.06 -0.86 0.01 0.00 -1.21 0.00 0.00 43.02 40.89 3k94 s PHE 197 CO 0.01 0.05 0.23 -1.54 -1.34 0.00 0.00 175.22 172.63 3k94 s SER 198 N -1.05 -0.03 0.11 1.98 1.04 -0.76 -0.05 113.70 114.94 3k94 s SER 198 Ca 0.04 -0.27 -0.21 0.00 0.48 0.00 0.00 55.95 55.99 3k94 s SER 198 Cb -0.08 0.30 0.05 0.00 0.10 0.00 0.00 66.02 66.40 3k94 s SER 198 CO 0.01 -0.55 0.52 0.72 0.98 0.00 0.00 173.24 174.92 3k94 s PHE 199 N -2.36 -0.41 -0.02 5.02 -0.71 -0.91 -1.11 117.98 117.47 3k94 s PHE 199 Ca -0.07 0.28 0.13 0.00 -1.04 0.00 0.00 56.93 56.23 3k94 s PHE 199 Cb -0.02 0.40 -0.20 0.00 -1.21 0.00 0.00 43.02 41.99 3k94 s PHE 199 CO -0.03 -0.73 0.27 -1.13 -1.34 0.00 0.00 175.22 172.27 3k94 n SER 200 N -0.03 2.05 -3.91 1.98 3.41 0.35 -2.00 113.62 115.47 3k94 n SER 200 Ca -0.17 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.33 3k94 n SER 200 Cb 0.63 1.55 -0.10 0.00 -0.26 0.00 0.00 64.21 66.03 3k94 n SER 200 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3k94 s GLU 201 N -2.87 0.41 0.00 4.33 2.02 -1.24 -4.82 118.70 116.53 3k94 s GLU 201 Ca -0.05 -0.47 0.00 0.00 0.02 0.00 0.00 54.97 54.47 3k94 s GLU 201 Cb 0.08 0.16 0.00 0.00 0.10 0.00 0.00 34.13 34.48 3k94 s GLU 201 CO 0.54 -0.09 0.00 0.41 0.02 0.00 0.00 175.26 176.14 3k94 n GLY 202 N 1.53 -1.44 2.84 -1.39 0.00 -1.26 -1.50 105.19 103.97 3k94 n GLY 202 Ca -0.23 -2.08 -0.16 0.00 0.00 0.00 0.00 46.02 43.55 3k94 n GLY 202 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3k94 s ILE 203 N 0.00 0.19 0.16 -0.61 1.01 -1.26 -3.92 121.20 116.77 3k94 s ILE 203 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.70 3k94 s ILE 203 Cb 0.00 -0.26 -0.00 0.00 0.01 0.00 0.00 42.46 42.21 3k94 s ILE 203 CO 0.00 0.13 0.04 -0.11 0.00 0.00 0.00 174.94 175.00 3k94 n LEU 204 N 3.90 0.00 -3.38 2.97 7.94 -0.67 -0.95 117.00 126.82 3k94 n LEU 204 Ca -0.24 -1.14 0.02 0.00 -1.11 0.00 0.00 56.01 53.54 3k94 n LEU 204 Cb 0.52 0.31 -0.04 0.00 0.53 0.00 0.00 43.42 44.74 3k94 n LEU 204 CO 0.23 -0.17 0.54 -0.63 -1.11 0.00 0.00 177.39 176.25 3k94 s ILE 207 N -1.97 -0.56 -0.15 1.96 1.01 -0.13 -0.96 121.20 120.40 3k94 s ILE 207 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 60.65 60.64 3k94 s ILE 207 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 42.46 41.43 3k94 s ILE 207 CO 0.04 0.00 0.06 -0.13 0.00 0.00 0.00 174.94 174.91 3k94 s ARG 208 N 2.58 3.70 0.27 2.79 0.52 -0.40 -0.27 118.95 128.14 3k94 s ARG 208 Ca -0.01 -0.32 -0.05 0.00 -0.52 0.00 0.00 55.73 54.84 3k94 s ARG 208 Cb -0.08 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.25 3k94 s ARG 208 CO -0.17 0.45 0.36 -1.54 0.02 0.00 0.00 175.30 174.42 3k94 s SER 209 N -0.12 0.44 0.09 0.23 1.04 -0.19 -0.66 113.70 114.53 3k94 s SER 209 Ca 0.07 -1.30 -0.08 0.00 0.48 0.00 0.00 55.95 55.12 3k94 s SER 209 Cb -0.12 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 3k94 s SER 209 CO 0.01 -1.10 0.17 -0.94 0.98 0.00 0.00 173.24 172.36 3k94 s SER 210 N -3.16 0.16 0.05 7.02 1.04 -0.76 -1.65 113.70 116.41 3k94 s SER 210 Ca 0.31 -0.73 -0.01 0.00 0.48 0.00 0.00 55.95 56.01 3k94 s SER 210 Cb 0.02 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.47 3k94 s SER 210 CO 0.15 -0.73 0.09 -0.90 0.98 0.00 0.00 173.24 172.83 3k94 n ASP 211 N -0.06 -0.26 0.00 7.02 5.68 -1.26 -4.84 116.55 122.84 3k94 n ASP 211 Ca -0.14 -1.26 0.05 0.00 -0.50 0.00 0.00 54.79 52.94 3k94 n ASP 211 Cb 0.62 0.45 0.25 0.00 -1.14 0.00 0.00 41.12 41.30 3k94 n ASP 211 CO 0.00 0.00 0.00 -1.54 -1.33 0.00 0.00 177.20 174.33 3k94 n SER 212 N -1.67 0.00 -0.98 -1.12 3.41 -1.26 -2.10 113.62 109.90 3k94 n SER 212 Ca -0.00 0.31 0.10 0.00 -0.26 0.00 0.00 58.87 59.02 3k94 n SER 212 Cb 0.09 -0.39 0.27 0.00 -0.26 0.00 0.00 64.21 63.91 3k94 n SER 212 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3k94 n SER 213 N -1.39 2.89 -4.69 4.04 7.64 -1.26 -4.87 113.62 115.99 3k94 n SER 213 Ca 0.04 -1.93 -0.42 0.00 1.01 0.00 0.00 58.87 57.56 3k94 n SER 213 Cb 0.10 -0.27 -0.03 0.00 -1.01 0.00 0.00 64.21 63.00 3k94 n SER 213 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03