#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wh4 s VAL 3 N 0.00 0.83 -0.22 0.00 1.01 -1.26 -3.75 120.40 117.01 2wh4 s VAL 3 Ca 0.00 -1.95 -0.06 0.00 0.00 0.00 0.00 61.98 59.98 2wh4 s VAL 3 Cb 0.00 -1.70 -0.02 0.00 0.00 0.00 0.00 36.38 34.66 2wh4 s VAL 3 CO 0.00 -0.82 0.02 -0.75 0.00 0.00 0.00 175.10 173.55 2wh4 s LYS 4 N -3.73 3.61 0.70 2.72 2.20 -0.40 -4.93 119.74 119.91 2wh4 s LYS 4 Ca 0.13 -0.51 -0.01 0.00 -0.36 0.00 0.00 55.97 55.21 2wh4 s LYS 4 Cb 0.04 -3.15 0.11 0.00 -1.51 0.00 0.00 37.83 33.31 2wh4 s LYS 4 CO -0.03 -0.07 0.97 0.15 -0.36 0.00 0.00 175.35 176.00 2wh4 s LYS 5 N 1.24 1.83 0.06 4.03 3.01 -1.26 -2.35 119.74 126.30 2wh4 s LYS 5 Ca 0.04 -0.98 0.04 0.00 -1.01 0.00 0.00 55.97 54.06 2wh4 s LYS 5 Cb -0.15 -2.33 -0.03 0.00 -1.01 0.00 0.00 37.83 34.31 2wh4 s LYS 5 CO 0.02 -1.33 -0.11 -0.06 0.51 0.00 0.00 175.35 174.37 2wh4 s PHE 6 N -3.10 0.98 0.32 3.18 0.40 -1.26 -4.97 117.98 113.52 2wh4 s PHE 6 Ca 0.64 -0.51 -0.26 0.00 -0.60 0.00 0.00 56.93 56.20 2wh4 s PHE 6 Cb -0.06 -0.56 -0.10 0.00 0.51 0.00 0.00 43.02 42.81 2wh4 s PHE 6 CO 0.44 -0.01 0.95 0.15 0.70 0.00 0.00 175.22 177.45 2wh4 s LYS 7 N -1.88 4.59 -0.65 0.44 1.02 -1.26 -4.72 119.74 117.28 2wh4 s LYS 7 Ca -0.04 1.36 -0.09 0.00 0.02 0.00 0.00 55.97 57.23 2wh4 s LYS 7 Cb -0.09 -2.84 -0.08 0.00 -0.52 0.00 0.00 37.83 34.31 2wh4 s LYS 7 CO 0.01 0.28 1.82 -0.35 -0.92 0.00 0.00 175.35 176.18 2wh4 n PRO 8 N 0.62 1.43 0.00 -1.68 -0.04 -1.26 -4.47 135.00 129.60 2wh4 n PRO 8 Ca 0.02 -1.30 0.14 0.00 -0.04 0.00 0.00 63.50 62.32 2wh4 n PRO 8 Cb 0.50 -2.45 0.68 0.00 -0.04 0.00 0.00 33.50 32.19 2wh4 n PRO 8 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wh4 n TYR 9 N 5.23 0.00 -3.63 0.54 4.11 -1.26 -4.72 117.16 117.43 2wh4 n TYR 9 Ca 0.36 0.00 -0.05 0.00 -0.00 0.00 0.00 57.90 58.21 2wh4 n TYR 9 Cb 0.17 -0.20 -0.06 0.00 -0.00 0.00 0.00 39.34 39.24 2wh4 n TYR 9 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.86 176.78 2wh4 s THR 10 N -2.47 -0.12 1.16 -3.48 -1.32 -1.26 -5.13 115.64 103.01 2wh4 s THR 10 Ca 0.30 0.00 -0.17 0.00 -1.21 0.00 0.00 61.69 60.61 2wh4 s THR 10 Cb 0.20 -1.00 0.22 0.00 -1.51 0.00 0.00 72.50 70.41 2wh4 s THR 10 CO 0.46 0.00 0.43 -0.81 -2.21 0.00 0.00 174.62 172.49 2wh4 n PRO 11 N 4.32 -2.77 -1.88 7.08 -0.04 -1.26 -2.02 135.00 138.43 2wh4 n PRO 11 Ca -0.19 -0.81 -0.13 0.00 -0.04 0.00 0.00 63.50 62.33 2wh4 n PRO 11 Cb 0.57 -1.67 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 2wh4 n PRO 11 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wh4 n SER 12 N -2.66 -3.68 0.00 3.54 3.41 -1.26 -4.52 113.62 108.45 2wh4 n SER 12 Ca 0.06 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.93 2wh4 n SER 12 Cb 0.48 -3.28 0.00 0.00 -0.26 0.00 0.00 64.21 61.15 2wh4 n SER 12 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2wh4 n ARG 13 N -2.31 0.00 0.08 4.33 3.00 -0.86 -3.50 116.66 117.40 2wh4 n ARG 13 Ca -0.14 0.00 0.03 0.00 -0.00 0.00 0.00 57.85 57.74 2wh4 n ARG 13 Cb 0.51 -0.01 -0.03 0.00 0.00 0.00 0.00 32.46 32.94 2wh4 n ARG 13 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.63 177.70 2wh4 h ARG 14 N 0.00 0.00 0.00 -0.14 0.11 -1.79 -3.31 114.38 109.24 2wh4 h ARG 14 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2wh4 h ARG 14 Cb 0.01 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.09 2wh4 h ARG 14 CO 0.00 0.29 -1.74 1.19 0.10 0.00 0.00 179.97 179.82 2wh4 n PHE 15 N -2.96 0.19 -1.87 4.08 3.01 -1.26 -4.75 117.46 113.90 2wh4 n PHE 15 Ca -0.04 0.05 -0.41 0.00 1.01 0.00 0.00 57.45 58.06 2wh4 n PHE 15 Cb 0.75 -0.56 -0.02 0.00 -0.01 0.00 0.00 39.48 39.65 2wh4 n PHE 15 CO 0.00 0.00 0.00 1.41 1.01 0.00 0.00 176.76 179.18 2wh4 s MET 16 N -3.46 4.17 -0.00 -1.08 1.75 -1.25 -4.76 119.30 114.69 2wh4 s MET 16 Ca -0.05 2.48 -0.00 0.00 -1.25 0.00 0.00 55.69 56.86 2wh4 s MET 16 Cb 0.13 -3.04 -0.00 0.00 2.84 0.00 0.00 34.83 34.76 2wh4 s MET 16 CO 0.88 -0.53 0.01 0.95 -0.65 0.00 0.00 175.02 175.67 2wh4 s THR 17 N -0.22 0.01 0.02 10.11 -4.23 -0.43 -4.07 115.64 116.83 2wh4 s THR 17 Ca 0.60 -0.08 0.08 0.00 -1.18 0.00 0.00 61.69 61.11 2wh4 s THR 17 Cb -0.45 -0.04 -0.02 0.00 1.34 0.00 0.00 72.50 73.32 2wh4 s THR 17 CO 0.49 -0.04 -0.22 0.54 -0.54 0.00 0.00 174.62 174.84 2wh4 s VAL 18 N -0.12 1.80 1.00 2.29 0.11 -0.99 -3.50 120.40 120.98 2wh4 s VAL 18 Ca -0.01 -1.13 -0.11 0.00 -2.93 0.00 0.00 61.98 57.79 2wh4 s VAL 18 Cb -0.01 -1.53 0.18 0.00 -1.53 0.00 0.00 36.38 33.49 2wh4 s VAL 18 CO -0.00 0.36 1.02 0.00 -3.33 0.00 0.00 175.10 173.14 2wh4 n ALA 19 N 2.12 -1.62 -2.62 1.54 0.00 -1.26 -1.28 120.51 117.39 2wh4 n ALA 19 Ca -0.16 -0.75 -0.39 0.00 0.00 0.00 0.00 53.44 52.13 2wh4 n ALA 19 Cb 0.53 -2.09 -0.08 0.00 0.00 0.00 0.00 19.45 17.80 2wh4 n ALA 19 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2wh4 s ASP 20 N -2.50 6.38 -0.31 0.00 -4.77 -1.25 -4.66 116.67 109.57 2wh4 s ASP 20 Ca 0.66 0.45 -0.01 0.00 -3.30 0.00 0.00 52.55 50.36 2wh4 s ASP 20 Cb -0.23 -2.26 0.23 0.00 -1.09 0.00 0.00 42.92 39.57 2wh4 s ASP 20 CO 0.61 -0.23 1.96 0.49 0.70 0.00 0.00 175.17 178.69 2wh4 n PHE 21 N 5.36 1.53 0.01 2.11 0.99 -1.26 -4.07 117.46 122.14 2wh4 n PHE 21 Ca -0.06 -1.88 -0.09 0.00 -0.00 0.00 0.00 57.45 55.42 2wh4 n PHE 21 Cb 0.50 -0.92 -0.13 0.00 -1.00 0.00 0.00 39.48 37.93 2wh4 n PHE 21 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.76 177.42 2wh4 h SER 22 N 1.37 0.04 -0.05 4.37 4.64 -2.00 -3.30 113.55 118.62 2wh4 h SER 22 Ca 0.29 -0.07 0.01 0.00 -0.47 0.00 0.00 61.79 61.55 2wh4 h SER 22 Cb 1.01 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 63.09 2wh4 h SER 22 CO 0.74 1.06 0.04 -0.33 -0.87 0.00 0.00 176.83 177.46 2wh4 h GLU 23 N 0.01 0.02 -6.24 4.77 4.39 -1.98 -3.42 114.58 112.13 2wh4 h GLU 23 Ca -0.20 -0.00 -0.57 0.00 0.34 0.00 0.00 59.36 58.93 2wh4 h GLU 23 Cb 1.94 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 30.54 2wh4 h GLU 23 CO 0.10 0.01 0.94 -1.50 -1.16 0.00 0.00 179.01 177.41 2wh4 s ILE 24 N -5.08 4.19 -0.72 3.13 2.07 -1.25 -4.86 121.20 118.69 2wh4 s ILE 24 Ca -0.05 1.40 -0.26 0.00 -1.41 0.00 0.00 60.65 60.33 2wh4 s ILE 24 Cb 0.17 -4.05 -0.09 0.00 0.13 0.00 0.00 42.46 38.63 2wh4 s ILE 24 CO 0.68 -0.28 2.25 0.28 -1.91 0.00 0.00 174.94 175.96 2wh4 s THR 25 N 3.94 3.14 0.00 4.00 -1.32 -0.12 -4.61 115.64 120.67 2wh4 s THR 25 Ca 0.56 -0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.99 2wh4 s THR 25 Cb -0.20 -3.33 0.00 0.00 -1.51 0.00 0.00 72.50 67.47 2wh4 s THR 25 CO 0.19 -0.31 0.00 0.29 -2.21 0.00 0.00 174.62 172.58 2wh4 n LYS 26 N 8.92 0.00 -3.21 7.08 5.02 -1.26 -4.73 118.16 129.98 2wh4 n LYS 26 Ca 0.40 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.68 2wh4 n LYS 26 Cb 0.48 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.47 2wh4 n LYS 26 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wh4 s THR 27 N 0.00 -0.89 -0.01 -0.18 -1.32 -1.26 -5.06 115.64 106.92 2wh4 s THR 27 Ca 0.00 -0.11 -0.05 0.00 -1.21 0.00 0.00 61.69 60.32 2wh4 s THR 27 Cb 0.00 -0.75 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 2wh4 s THR 27 CO 0.00 -0.09 0.43 -0.08 -2.21 0.00 0.00 174.62 172.67 2wh4 h GLU 28 N 7.75 -0.16 -6.71 7.08 4.22 -1.99 -3.45 114.58 121.33 2wh4 h GLU 28 Ca -0.01 0.01 -0.58 0.00 0.08 0.00 0.00 59.36 58.87 2wh4 h GLU 28 Cb 1.17 0.04 0.12 0.00 0.50 0.00 0.00 28.75 30.57 2wh4 h GLU 28 CO 0.16 -0.10 0.34 -2.30 -2.18 0.00 0.00 179.01 174.93 2wh4 n PRO 29 N -3.02 1.69 -1.51 0.92 -0.02 -1.26 -4.95 135.00 126.86 2wh4 n PRO 29 Ca -0.02 0.60 -0.17 0.00 -2.02 0.00 0.00 63.50 61.89 2wh4 n PRO 29 Cb 0.06 -2.19 0.11 0.00 -0.02 0.00 0.00 33.50 31.46 2wh4 n PRO 29 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wh4 n GLU 30 N 0.24 -0.41 -2.65 -0.52 -0.58 -1.26 -4.91 120.64 110.56 2wh4 n GLU 30 Ca 0.08 -1.51 -0.43 0.00 -0.42 0.00 0.00 57.16 54.88 2wh4 n GLU 30 Cb 0.38 -0.68 -0.01 0.00 -0.57 0.00 0.00 31.44 30.56 2wh4 n GLU 30 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2wh4 s LYS 31 N -4.55 3.93 0.43 3.49 2.47 -1.26 -4.78 119.74 119.47 2wh4 s LYS 31 Ca 0.46 -1.94 0.30 0.00 -1.56 0.00 0.00 55.97 53.22 2wh4 s LYS 31 Cb -0.02 -5.41 1.43 0.00 -1.46 0.00 0.00 37.83 32.36 2wh4 s LYS 31 CO 0.32 -2.16 1.61 0.66 0.16 0.00 0.00 175.35 175.94 2wh4 h SER 32 N 7.90 0.25 -2.80 1.43 4.64 -1.97 -3.34 113.55 119.66 2wh4 h SER 32 Ca 0.38 0.15 -0.34 0.00 -0.47 0.00 0.00 61.79 61.51 2wh4 h SER 32 Cb 0.90 0.14 0.20 0.00 -0.31 0.00 0.00 62.40 63.34 2wh4 h SER 32 CO 1.41 -0.22 -0.17 0.00 -0.87 0.00 0.00 176.83 176.98 2wh4 n LEU 33 N -4.75 -0.46 -2.66 5.97 -0.00 -1.26 -4.24 117.00 109.59 2wh4 n LEU 33 Ca 0.38 -0.79 -0.24 0.00 -0.00 0.00 0.00 56.01 55.36 2wh4 n LEU 33 Cb 1.44 -0.98 -0.09 0.00 -0.00 0.00 0.00 43.42 43.80 2wh4 n LEU 33 CO 0.18 -4.41 1.32 0.55 -0.00 0.00 0.00 177.39 175.03 2wh4 n VAL 34 N -5.63 0.00 0.00 1.47 3.14 -1.26 -3.48 118.33 112.56 2wh4 n VAL 34 Ca 0.12 -0.01 0.00 0.00 -2.96 0.00 0.00 64.34 61.50 2wh4 n VAL 34 Cb 0.56 -0.29 0.00 0.00 -1.06 0.00 0.00 33.84 33.05 2wh4 n VAL 34 CO 0.00 0.00 0.00 1.17 -6.46 0.00 0.00 176.83 171.54 2wh4 n LYS 35 N 4.98 0.00 -3.56 1.45 3.00 -1.25 -4.97 118.16 117.81 2wh4 n LYS 35 Ca 0.39 0.00 -0.34 0.00 -0.00 0.00 0.00 58.31 58.36 2wh4 n LYS 35 Cb 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.00 2wh4 n LYS 35 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.40 175.26 2wh4 s PRO 36 N 0.00 3.75 0.04 1.64 0.02 -1.23 -1.24 135.00 137.98 2wh4 s PRO 36 Ca 0.00 0.15 -0.13 0.00 0.02 0.00 0.00 61.00 61.04 2wh4 s PRO 36 Cb 0.00 -2.91 0.02 0.00 0.02 0.00 0.00 34.50 31.63 2wh4 s PRO 36 CO 0.00 0.50 0.28 -1.17 -0.33 0.00 0.00 177.00 176.28 2wh4 s LEU 37 N -2.22 0.98 0.66 -5.54 2.96 -1.16 -4.96 118.68 109.40 2wh4 s LEU 37 Ca 0.37 -0.19 -0.15 0.00 -0.22 0.00 0.00 54.13 53.94 2wh4 s LEU 37 Cb -0.13 1.26 -0.00 0.00 0.50 0.00 0.00 46.19 47.81 2wh4 s LEU 37 CO 0.20 -0.58 1.11 -1.59 -1.32 0.00 0.00 176.35 174.17 2wh4 s LYS 38 N -2.39 2.82 -0.24 1.98 -2.85 -1.26 -1.22 119.74 116.57 2wh4 s LYS 38 Ca -0.06 1.39 -0.22 0.00 -1.00 0.00 0.00 55.97 56.08 2wh4 s LYS 38 Cb -0.01 -1.95 0.06 0.00 -2.06 0.00 0.00 37.83 33.86 2wh4 s LYS 38 CO -0.02 -1.23 0.64 0.21 0.10 0.00 0.00 175.35 175.04 2wh4 s LYS 39 N -4.09 0.74 0.15 1.78 2.20 -1.26 -4.68 119.74 114.57 2wh4 s LYS 39 Ca 0.67 0.91 -0.21 0.00 -0.36 0.00 0.00 55.97 56.98 2wh4 s LYS 39 Cb -0.20 0.35 0.06 0.00 -1.51 0.00 0.00 37.83 36.52 2wh4 s LYS 39 CO 0.41 -0.09 0.54 0.99 -0.36 0.00 0.00 175.35 176.84 2wh4 s THR 40 N 0.42 0.02 0.00 3.43 2.01 -1.26 -4.82 115.64 115.44 2wh4 s THR 40 Ca -0.01 -0.20 0.00 0.00 0.31 0.00 0.00 61.69 61.79 2wh4 s THR 40 Cb -0.05 -1.07 0.00 0.00 0.01 0.00 0.00 72.50 71.39 2wh4 s THR 40 CO -0.00 -0.10 0.00 0.61 -0.69 0.00 0.00 174.62 174.44 2wh4 n GLY 41 N -0.33 1.57 0.00 4.40 0.00 -1.26 -5.09 105.19 104.47 2wh4 n GLY 41 Ca -0.16 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2wh4 n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 42 N 0.00 2.46 3.64 -0.02 0.00 -1.26 -5.06 105.19 104.95 2wh4 n GLY 42 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.63 2wh4 n GLY 42 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wh4 s ARG 43 N 0.00 0.68 0.24 1.61 1.70 -1.26 -4.78 118.95 117.14 2wh4 s ARG 43 Ca 0.00 0.99 -0.06 0.00 -0.47 0.00 0.00 55.73 56.19 2wh4 s ARG 43 Cb 0.00 0.23 -0.04 0.00 -0.57 0.00 0.00 34.95 34.57 2wh4 s ARG 43 CO 0.00 -0.11 -0.32 0.27 -1.08 0.00 0.00 175.30 174.06 2wh4 n ASN 44 N 3.44 -0.96 0.00 -2.89 6.94 -1.25 -4.72 115.26 115.83 2wh4 n ASN 44 Ca -0.17 0.01 0.00 0.00 -0.02 0.00 0.00 54.58 54.41 2wh4 n ASN 44 Cb 0.57 -0.14 0.01 0.00 -2.36 0.00 0.00 39.78 37.86 2wh4 n ASN 44 CO 0.00 0.00 0.00 -0.46 -1.03 0.00 0.00 177.26 175.77 2wh4 n ASN 45 N 0.84 0.00 0.00 0.53 6.94 -1.26 -4.34 115.26 117.97 2wh4 n ASN 45 Ca -0.00 0.23 0.00 0.00 -0.02 0.00 0.00 54.58 54.79 2wh4 n ASN 45 Cb 0.17 -0.24 0.00 0.00 -2.36 0.00 0.00 39.78 37.35 2wh4 n ASN 45 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2wh4 n GLN 46 N -1.24 3.62 -0.01 -3.83 6.02 -1.26 -5.03 117.38 115.66 2wh4 n GLN 46 Ca 0.00 0.00 0.08 0.00 -0.01 0.00 0.00 57.00 57.07 2wh4 n GLN 46 Cb 0.00 0.00 -0.12 0.00 1.02 0.00 0.00 30.24 31.14 2wh4 n GLN 46 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wh4 n GLY 47 N 5.00 -0.73 3.46 1.08 0.00 -1.26 -5.00 105.19 107.74 2wh4 n GLY 47 Ca 0.00 -0.40 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2wh4 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 48 N -3.08 -1.27 -0.09 1.61 1.81 -1.26 -4.90 118.95 111.77 2wh4 s ARG 48 Ca -0.05 0.79 0.03 0.00 -1.72 0.00 0.00 55.73 54.78 2wh4 s ARG 48 Cb 0.11 -1.52 -0.02 0.00 -0.45 0.00 0.00 34.95 33.08 2wh4 s ARG 48 CO 0.69 -3.94 -0.17 0.96 -0.68 0.00 0.00 175.30 172.16 2wh4 s ILE 49 N -2.40 2.79 -0.17 1.52 -4.36 -1.26 -3.77 121.20 113.55 2wh4 s ILE 49 Ca 0.69 -0.78 0.15 0.00 -0.26 0.00 0.00 60.65 60.45 2wh4 s ILE 49 Cb -0.25 -2.12 -0.22 0.00 1.25 0.00 0.00 42.46 41.12 2wh4 s ILE 49 CO 0.65 0.56 0.40 0.35 0.24 0.00 0.00 174.94 177.14 2wh4 n THR 50 N 3.04 0.00 -3.84 8.37 -2.24 -1.26 -4.80 114.28 113.54 2wh4 n THR 50 Ca -0.18 -0.31 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 2wh4 n THR 50 Cb 0.52 0.33 -0.15 0.00 -2.10 0.00 0.00 70.33 68.94 2wh4 n THR 50 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2wh4 s VAL 51 N -2.93 1.47 1.10 2.28 1.01 -1.26 -5.09 120.40 116.99 2wh4 s VAL 51 Ca -0.03 -1.88 -0.20 0.00 0.00 0.00 0.00 61.98 59.87 2wh4 s VAL 51 Cb 0.10 -2.10 0.07 0.00 0.00 0.00 0.00 36.38 34.46 2wh4 s VAL 51 CO 0.64 -0.67 -0.21 0.54 0.00 0.00 0.00 175.10 175.40 2wh4 n ARG 52 N 4.49 -1.46 -3.79 2.72 1.74 -1.26 -3.97 116.66 115.13 2wh4 n ARG 52 Ca 0.01 -0.42 -0.23 0.00 -0.77 0.00 0.00 57.85 56.45 2wh4 n ARG 52 Cb 0.41 -1.58 -0.06 0.00 -1.02 0.00 0.00 32.46 30.21 2wh4 n ARG 52 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2wh4 n PHE 53 N -4.32 -0.89 -3.94 -1.55 3.72 -1.26 -4.94 117.46 104.28 2wh4 n PHE 53 Ca 0.00 0.38 -0.29 0.00 -0.05 0.00 0.00 57.45 57.50 2wh4 n PHE 53 Cb 0.63 -1.95 -0.16 0.00 -0.94 0.00 0.00 39.48 37.06 2wh4 n PHE 53 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2wh4 s ARG 54 N -6.14 1.72 0.00 -1.08 1.81 -1.25 -2.26 118.95 111.75 2wh4 s ARG 54 Ca 0.04 -0.53 0.00 0.00 -1.72 0.00 0.00 55.73 53.52 2wh4 s ARG 54 Cb -0.02 -2.01 0.00 0.00 -0.45 0.00 0.00 34.95 32.47 2wh4 s ARG 54 CO 0.70 -0.36 0.00 0.41 -0.68 0.00 0.00 175.30 175.37 2wh4 n GLY 55 N 4.84 2.68 1.54 -3.53 0.00 -0.80 -4.88 105.19 105.05 2wh4 n GLY 55 Ca -0.13 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2wh4 n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 56 N 0.00 0.50 0.00 -0.02 0.00 -1.26 -4.35 105.19 100.06 2wh4 n GLY 56 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2wh4 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wh4 n GLY 57 N 0.00 0.32 3.94 -0.02 0.00 -1.15 -4.73 105.19 103.55 2wh4 n GLY 57 Ca 0.00 -1.74 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 2wh4 n GLY 57 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2wh4 s HIS 58 N -2.84 3.41 0.91 1.61 5.65 -1.02 -4.88 115.29 118.13 2wh4 s HIS 58 Ca 0.00 0.41 -0.11 0.00 0.25 0.00 0.00 55.06 55.61 2wh4 s HIS 58 Cb 0.00 -2.15 0.14 0.00 -1.18 0.00 0.00 32.58 29.39 2wh4 s HIS 58 CO 0.00 -0.16 1.12 0.21 -0.65 0.00 0.00 174.74 175.26 2wh4 s LYS 59 N -4.51 1.09 -0.28 2.88 2.47 -1.26 -5.02 119.74 115.12 2wh4 s LYS 59 Ca 0.45 1.33 -0.19 0.00 -1.56 0.00 0.00 55.97 56.01 2wh4 s LYS 59 Cb -0.10 -1.75 0.08 0.00 -1.46 0.00 0.00 37.83 34.60 2wh4 s LYS 59 CO 0.39 -2.51 0.70 1.03 0.16 0.00 0.00 175.35 175.11 2wh4 s ARG 60 N -4.71 0.75 -0.13 4.03 0.52 -1.26 -5.12 118.95 113.03 2wh4 s ARG 60 Ca 0.65 1.16 -0.04 0.00 -0.52 0.00 0.00 55.73 56.98 2wh4 s ARG 60 Cb -0.21 0.22 -0.04 0.00 0.52 0.00 0.00 34.95 35.44 2wh4 s ARG 60 CO 0.58 -0.14 0.03 -0.51 0.02 0.00 0.00 175.30 175.29 2wh4 s LEU 61 N 1.27 3.70 0.87 2.53 1.02 -1.26 -4.33 118.68 122.47 2wh4 s LEU 61 Ca -0.07 0.13 -0.12 0.00 0.02 0.00 0.00 54.13 54.09 2wh4 s LEU 61 Cb -0.05 -1.88 0.11 0.00 0.02 0.00 0.00 46.19 44.39 2wh4 s LEU 61 CO -0.14 0.30 1.10 -0.47 0.02 0.00 0.00 176.35 177.16 2wh4 s TYR 62 N -0.38 2.51 -0.31 0.29 6.04 -0.36 -4.87 117.35 120.27 2wh4 s TYR 62 Ca 0.08 1.13 -0.02 0.00 0.04 0.00 0.00 57.07 58.29 2wh4 s TYR 62 Cb -0.12 -3.19 0.12 0.00 -1.04 0.00 0.00 41.96 37.72 2wh4 s TYR 62 CO 0.02 -2.22 0.17 1.03 -1.54 0.00 0.00 175.55 173.02 2wh4 s ARG 63 N -5.07 0.32 -0.57 4.97 0.52 -1.26 -2.96 118.95 114.90 2wh4 s ARG 63 Ca 0.63 -0.75 -0.36 0.00 -0.52 0.00 0.00 55.73 54.72 2wh4 s ARG 63 Cb -0.16 -1.15 -0.16 0.00 0.52 0.00 0.00 34.95 34.00 2wh4 s ARG 63 CO 0.55 -1.08 2.31 -0.89 0.02 0.00 0.00 175.30 176.21 2wh4 n ILE 64 N 4.86 0.05 -3.73 1.52 -0.00 -0.37 -4.93 119.36 116.77 2wh4 n ILE 64 Ca 0.00 -0.16 -0.37 0.00 -0.00 0.00 0.00 62.75 62.23 2wh4 n ILE 64 Cb 0.41 -1.08 -0.06 0.00 -0.00 0.00 0.00 39.64 38.91 2wh4 n ILE 64 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 2wh4 s ILE 65 N 7.70 5.32 -0.70 1.39 -1.09 -1.26 -4.23 121.20 128.32 2wh4 s ILE 65 Ca 1.18 0.42 -0.24 0.00 -2.23 0.00 0.00 60.65 59.79 2wh4 s ILE 65 Cb -1.11 -3.53 0.06 0.00 -1.58 0.00 0.00 42.46 36.30 2wh4 s ILE 65 CO 0.53 0.57 1.08 -0.62 -1.23 0.00 0.00 174.94 175.27 2wh4 s ASP 66 N -1.14 6.20 -0.03 3.58 2.15 0.37 -4.84 116.67 122.96 2wh4 s ASP 66 Ca 0.20 -0.88 0.01 0.00 0.43 0.00 0.00 52.55 52.31 2wh4 s ASP 66 Cb -0.14 -2.47 -0.26 0.00 -0.30 0.00 0.00 42.92 39.76 2wh4 s ASP 66 CO 0.09 -1.55 0.72 -0.26 -0.17 0.00 0.00 175.17 174.00 2wh4 h PHE 67 N 9.69 0.30 -2.83 -5.34 0.05 -1.94 -3.41 116.94 113.46 2wh4 h PHE 67 Ca -0.25 -0.22 -0.68 0.00 3.82 0.00 0.00 57.97 60.63 2wh4 h PHE 67 Cb 1.06 -0.01 -0.18 0.00 2.00 0.00 0.00 35.95 38.81 2wh4 h PHE 67 CO 1.03 1.33 0.29 -1.59 -0.18 0.00 0.00 178.31 179.19 2wh4 s LYS 68 N -2.60 3.12 -0.21 1.51 -2.85 -1.26 -3.33 119.74 114.12 2wh4 s LYS 68 Ca -0.10 -1.26 0.02 0.00 -1.00 0.00 0.00 55.97 53.62 2wh4 s LYS 68 Cb 0.07 -4.31 0.29 0.00 -2.06 0.00 0.00 37.83 31.82 2wh4 s LYS 68 CO 0.82 -1.63 1.46 -2.13 0.10 0.00 0.00 175.35 173.98 2wh4 n ARG 69 N 6.65 1.57 -0.08 1.78 0.63 -1.26 -4.03 116.66 121.92 2wh4 n ARG 69 Ca -0.05 -1.35 0.08 0.00 -0.92 0.00 0.00 57.85 55.61 2wh4 n ARG 69 Cb 0.44 -1.53 0.11 0.00 0.45 0.00 0.00 32.46 31.93 2wh4 n ARG 69 CO 0.00 0.00 0.00 -2.67 -2.51 0.00 0.00 177.63 172.45 2wh4 n TRP 70 N -0.18 0.20 -0.32 -0.14 2.14 -1.26 -4.54 117.44 113.34 2wh4 n TRP 70 Ca 0.27 -0.16 -0.02 0.00 2.07 0.00 0.00 57.50 59.66 2wh4 n TRP 70 Cb 0.99 -0.01 0.13 0.00 -0.81 0.00 0.00 31.31 31.62 2wh4 n TRP 70 CO 0.00 0.00 0.00 -0.44 2.07 0.00 0.00 177.69 179.32 2wh4 h ASP 71 N 2.93 1.08 -2.72 -0.67 3.32 -2.01 -3.28 116.42 115.07 2wh4 h ASP 71 Ca 0.00 -0.06 -0.64 0.00 0.02 0.00 0.00 57.03 56.35 2wh4 h ASP 71 Cb 0.70 -0.27 -0.40 0.00 0.22 0.00 0.00 39.33 39.57 2wh4 h ASP 71 CO 0.00 0.82 -0.40 0.29 -1.72 0.00 0.00 179.24 178.24 2wh4 n LYS 72 N -4.36 2.47 -2.44 3.56 5.02 -1.26 -5.06 118.16 116.09 2wh4 n LYS 72 Ca 0.10 -4.58 -0.42 0.00 -2.02 0.00 0.00 58.31 51.39 2wh4 n LYS 72 Cb 0.06 -2.31 -0.03 0.00 -0.02 0.00 0.00 35.03 32.72 2wh4 n LYS 72 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2wh4 s VAL 73 N -2.01 3.96 0.00 -0.18 1.01 -1.24 -3.33 120.40 118.61 2wh4 s VAL 73 Ca 0.32 1.48 0.00 0.00 0.00 0.00 0.00 61.98 63.78 2wh4 s VAL 73 Cb 0.04 -3.94 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2wh4 s VAL 73 CO -0.07 0.15 0.00 0.61 0.00 0.00 0.00 175.10 175.79 2wh4 n GLY 74 N 2.87 2.56 3.67 4.51 0.00 0.36 -4.98 105.19 114.18 2wh4 n GLY 74 Ca 0.07 -0.02 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 2wh4 n GLY 74 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wh4 s ILE 75 N -0.77 4.24 0.65 -0.61 1.01 -1.21 -4.91 121.20 119.60 2wh4 s ILE 75 Ca 0.00 1.52 -0.08 0.00 0.00 0.00 0.00 60.65 62.09 2wh4 s ILE 75 Cb 0.00 -3.98 0.02 0.00 0.01 0.00 0.00 42.46 38.51 2wh4 s ILE 75 CO 0.00 -0.10 0.99 -2.16 0.00 0.00 0.00 174.94 173.67 2wh4 s PRO 76 N 3.17 2.80 0.14 2.79 0.04 -1.26 -4.53 135.00 138.15 2wh4 s PRO 76 Ca 0.56 0.13 -0.17 0.00 0.04 0.00 0.00 61.00 61.56 2wh4 s PRO 76 Cb -0.23 -2.17 0.04 0.00 0.04 0.00 0.00 34.50 32.18 2wh4 s PRO 76 CO 0.17 -0.89 0.44 0.00 0.04 0.00 0.00 177.00 176.76 2wh4 s ALA 77 N -3.16 -0.98 -0.12 8.56 0.00 -0.46 -2.29 121.76 123.32 2wh4 s ALA 77 Ca 0.56 -0.05 -0.00 0.00 0.00 0.00 0.00 51.96 52.47 2wh4 s ALA 77 Cb -0.11 0.75 -0.02 0.00 0.00 0.00 0.00 23.12 23.74 2wh4 s ALA 77 CO 0.47 -0.69 -0.11 0.21 0.00 0.00 0.00 175.76 175.65 2wh4 s LYS 78 N -3.82 3.28 -1.12 0.00 2.20 0.25 -2.09 119.74 118.45 2wh4 s LYS 78 Ca 0.04 -0.64 -0.25 0.00 -0.36 0.00 0.00 55.97 54.77 2wh4 s LYS 78 Cb 0.01 -2.66 -0.17 0.00 -1.51 0.00 0.00 37.83 33.50 2wh4 s LYS 78 CO -0.10 0.31 2.02 0.28 -0.36 0.00 0.00 175.35 177.51 2wh4 n VAL 79 N 3.25 0.92 -0.10 4.02 0.31 -1.11 -0.95 118.33 124.68 2wh4 n VAL 79 Ca -0.18 -0.96 0.07 0.00 -0.01 0.00 0.00 64.34 63.27 2wh4 n VAL 79 Cb 0.53 -2.08 0.41 0.00 -0.91 0.00 0.00 33.84 31.79 2wh4 n VAL 79 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wh4 h ALA 80 N 10.68 1.79 -2.34 3.52 0.00 -1.76 -2.00 119.26 129.15 2wh4 h ALA 80 Ca 0.11 -0.02 0.16 0.00 0.00 0.00 0.00 54.91 55.16 2wh4 h ALA 80 Cb 0.96 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 18.50 2wh4 h ALA 80 CO 1.13 0.13 0.48 0.00 0.00 0.00 0.00 179.25 180.99 2wh4 s ALA 81 N -5.54 -1.70 -0.12 0.00 0.00 -0.79 -4.86 121.76 108.75 2wh4 s ALA 81 Ca -0.09 0.35 -0.01 0.00 0.00 0.00 0.00 51.96 52.21 2wh4 s ALA 81 Cb 0.19 0.59 0.04 0.00 0.00 0.00 0.00 23.12 23.93 2wh4 s ALA 81 CO 0.75 -0.95 -0.02 -1.50 0.00 0.00 0.00 175.76 174.04 2wh4 s ILE 82 N -3.25 0.66 0.41 0.00 -1.16 -1.26 0.57 121.20 117.17 2wh4 s ILE 82 Ca 0.10 -0.23 0.03 0.00 -0.51 0.00 0.00 60.65 60.04 2wh4 s ILE 82 Cb -0.01 -0.87 0.03 0.00 0.61 0.00 0.00 42.46 42.21 2wh4 s ILE 82 CO -0.01 0.16 0.22 -0.62 -2.81 0.00 0.00 174.94 171.88 2wh4 n GLU 83 N 5.04 0.93 -3.58 3.50 1.02 -0.12 -0.94 120.64 126.48 2wh4 n GLU 83 Ca -0.09 -2.69 -0.36 0.00 -0.02 0.00 0.00 57.16 53.99 2wh4 n GLU 83 Cb 0.49 0.43 -0.06 0.00 -0.02 0.00 0.00 31.44 32.28 2wh4 n GLU 83 CO 0.00 0.00 0.00 -0.47 1.18 0.00 0.00 177.13 177.84 2wh4 s TYR 84 N -2.18 3.65 -0.14 -0.32 5.04 -1.26 -2.53 117.35 119.61 2wh4 s TYR 84 Ca 0.16 0.84 -0.04 0.00 -2.44 0.00 0.00 57.07 55.60 2wh4 s TYR 84 Cb -0.01 -2.19 0.05 0.00 0.35 0.00 0.00 41.96 40.16 2wh4 s TYR 84 CO 0.10 0.60 0.08 0.34 -1.34 0.00 0.00 175.55 175.34 2wh4 s ASP 85 N -1.37 2.02 -0.17 4.32 3.68 -1.26 -4.87 116.67 119.02 2wh4 s ASP 85 Ca 0.27 -0.43 -0.04 0.00 2.13 0.00 0.00 52.55 54.48 2wh4 s ASP 85 Cb -0.15 -0.22 -0.08 0.00 -1.45 0.00 0.00 42.92 41.02 2wh4 s ASP 85 CO 0.14 -0.32 2.99 -0.81 0.13 0.00 0.00 175.17 177.30 2wh4 n PRO 86 N 5.28 1.97 0.00 4.34 -0.04 -1.26 -3.56 135.00 141.74 2wh4 n PRO 86 Ca -0.06 -1.33 0.00 0.00 -0.04 0.00 0.00 63.50 62.07 2wh4 n PRO 86 Cb 0.49 -1.87 0.00 0.00 -0.04 0.00 0.00 33.50 32.08 2wh4 n PRO 86 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2wh4 n ASN 87 N 1.65 0.00 -3.91 3.54 3.02 -1.26 -4.98 115.26 113.33 2wh4 n ASN 87 Ca 0.38 0.00 -0.08 0.00 -0.03 0.00 0.00 54.58 54.84 2wh4 n ASN 87 Cb 0.72 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.81 2wh4 n ASN 87 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2wh4 s ARG 88 N 0.00 0.82 0.08 3.52 1.70 -1.23 -5.06 118.95 118.78 2wh4 s ARG 88 Ca 0.00 -1.03 -0.19 0.00 -0.47 0.00 0.00 55.73 54.05 2wh4 s ARG 88 Cb 0.00 0.32 -0.08 0.00 -0.57 0.00 0.00 34.95 34.62 2wh4 s ARG 88 CO 0.00 -0.25 1.52 0.66 -1.08 0.00 0.00 175.30 176.15 2wh4 h SER 89 N 2.81 0.43 -2.53 -2.89 4.64 -1.87 -3.45 113.55 110.69 2wh4 h SER 89 Ca -0.34 -0.31 -0.21 0.00 -0.47 0.00 0.00 61.79 60.46 2wh4 h SER 89 Cb 1.19 -0.12 0.10 0.00 -0.31 0.00 0.00 62.40 63.27 2wh4 h SER 89 CO 0.58 0.63 0.08 0.00 -0.87 0.00 0.00 176.83 177.24 2wh4 n ALA 90 N -2.35 -1.75 -2.52 5.18 0.00 -1.26 -4.62 120.51 113.20 2wh4 n ALA 90 Ca -0.04 -0.87 -0.25 0.00 0.00 0.00 0.00 53.44 52.28 2wh4 n ALA 90 Cb 0.24 -0.06 -0.10 0.00 0.00 0.00 0.00 19.45 19.53 2wh4 n ALA 90 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wh4 s ARG 91 N -4.34 1.76 0.25 0.00 0.52 -1.26 -4.70 118.95 111.17 2wh4 s ARG 91 Ca 0.38 -1.89 -0.00 0.00 -0.52 0.00 0.00 55.73 53.70 2wh4 s ARG 91 Cb -0.03 -1.65 -0.04 0.00 0.52 0.00 0.00 34.95 33.75 2wh4 s ARG 91 CO 0.29 0.16 0.44 0.42 0.02 0.00 0.00 175.30 176.62 2wh4 s ILE 92 N -2.64 5.18 -0.24 1.52 1.01 -1.05 0.15 121.20 125.13 2wh4 s ILE 92 Ca 0.32 -0.43 -0.00 0.00 0.00 0.00 0.00 60.65 60.53 2wh4 s ILE 92 Cb 0.01 -3.78 0.07 0.00 0.01 0.00 0.00 42.46 38.77 2wh4 s ILE 92 CO 0.16 -0.29 0.00 0.00 0.00 0.00 0.00 174.94 174.80 2wh4 s ALA 93 N -2.00 1.65 -0.63 9.38 0.00 0.14 -0.95 121.76 129.35 2wh4 s ALA 93 Ca 0.39 -1.25 -0.24 0.00 0.00 0.00 0.00 51.96 50.85 2wh4 s ALA 93 Cb -0.10 -1.41 0.05 0.00 0.00 0.00 0.00 23.12 21.66 2wh4 s ALA 93 CO 0.31 -1.28 1.01 -1.17 0.00 0.00 0.00 175.76 174.63 2wh4 s LEU 94 N 1.54 4.06 -0.15 0.00 1.98 0.19 -2.43 118.68 123.87 2wh4 s LEU 94 Ca -0.01 -0.64 -0.08 0.00 -2.89 0.00 0.00 54.13 50.51 2wh4 s LEU 94 Cb -0.18 -2.62 -0.04 0.00 0.66 0.00 0.00 46.19 44.01 2wh4 s LEU 94 CO -0.10 -1.43 0.12 -1.48 -1.89 0.00 0.00 176.35 171.58 2wh4 s LEU 95 N 4.31 4.21 -0.31 -0.68 0.05 -0.75 -1.89 118.68 123.62 2wh4 s LEU 95 Ca 0.28 0.33 -0.20 0.00 0.05 0.00 0.00 54.13 54.59 2wh4 s LEU 95 Cb -0.14 -2.05 -0.01 0.00 -2.05 0.00 0.00 46.19 41.95 2wh4 s LEU 95 CO 0.15 0.31 0.59 -1.00 -0.55 0.00 0.00 176.35 175.85 2wh4 s HIS 96 N -0.42 3.21 0.27 3.48 3.76 -0.12 -2.68 115.29 122.79 2wh4 s HIS 96 Ca 0.11 0.49 -0.26 0.00 -0.15 0.00 0.00 55.06 55.26 2wh4 s HIS 96 Cb -0.12 -2.95 -0.09 0.00 1.11 0.00 0.00 32.58 30.53 2wh4 s HIS 96 CO 0.01 -0.47 0.90 0.71 -0.85 0.00 0.00 174.74 175.04 2wh4 s TYR 97 N 2.54 3.79 0.61 1.40 1.51 0.18 -0.58 117.35 126.79 2wh4 s TYR 97 Ca 0.23 1.75 0.34 0.00 -1.01 0.00 0.00 57.07 58.38 2wh4 s TYR 97 Cb -0.15 -2.88 2.00 0.00 -0.11 0.00 0.00 41.96 40.82 2wh4 s TYR 97 CO 0.12 0.33 2.29 -0.39 -1.11 0.00 0.00 175.55 176.79 2wh4 h VAL 98 N 2.84 0.38 0.00 0.71 -1.51 -1.75 -0.54 116.25 116.39 2wh4 h VAL 98 Ca -0.46 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.01 2wh4 h VAL 98 Cb 1.20 1.00 0.00 0.00 -2.13 0.00 0.00 31.29 31.35 2wh4 h VAL 98 CO 0.66 0.00 0.00 -0.67 -1.23 0.00 0.00 177.57 176.33 2wh4 n ASP 99 N -3.63 0.19 0.00 4.19 4.64 -1.26 -4.79 116.55 115.88 2wh4 n ASP 99 Ca -0.03 0.58 0.00 0.00 -1.38 0.00 0.00 54.79 53.96 2wh4 n ASP 99 Cb 0.08 -0.61 0.00 0.00 -1.04 0.00 0.00 41.12 39.55 2wh4 n ASP 99 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2wh4 n GLY 100 N -1.28 0.36 3.92 0.27 0.00 -0.21 -5.06 105.19 103.18 2wh4 n GLY 100 Ca -0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2wh4 n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wh4 s GLU 101 N -0.90 3.58 0.05 1.61 2.12 -1.24 -4.91 118.70 119.01 2wh4 s GLU 101 Ca 0.00 -0.17 0.09 0.00 0.36 0.00 0.00 54.97 55.25 2wh4 s GLU 101 Cb 0.00 -2.74 -0.03 0.00 0.26 0.00 0.00 34.13 31.62 2wh4 s GLU 101 CO 0.00 0.30 -0.25 0.15 -0.54 0.00 0.00 175.26 174.92 2wh4 s LYS 102 N -3.46 1.67 0.06 4.30 1.02 -1.26 -0.65 119.74 121.42 2wh4 s LYS 102 Ca 0.41 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 55.16 2wh4 s LYS 102 Cb -0.11 -1.85 0.03 0.00 -0.52 0.00 0.00 37.83 35.38 2wh4 s LYS 102 CO 0.30 0.47 0.37 1.03 -0.92 0.00 0.00 175.35 176.61 2wh4 s ARG 103 N -1.27 0.91 0.04 1.68 1.81 -1.09 -5.01 118.95 116.02 2wh4 s ARG 103 Ca 0.11 -0.48 0.04 0.00 -1.72 0.00 0.00 55.73 53.67 2wh4 s ARG 103 Cb -0.10 0.40 -0.04 0.00 -0.45 0.00 0.00 34.95 34.77 2wh4 s ARG 103 CO 0.02 -0.32 -0.03 0.71 -0.68 0.00 0.00 175.30 175.00 2wh4 s TYR 104 N -2.77 2.95 -0.05 -0.53 1.51 -1.26 -1.81 117.35 115.38 2wh4 s TYR 104 Ca -0.03 -0.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.86 2wh4 s TYR 104 Cb -0.00 -1.58 0.03 0.00 -0.11 0.00 0.00 41.96 40.29 2wh4 s TYR 104 CO -0.05 0.43 0.35 0.96 -1.11 0.00 0.00 175.55 176.13 2wh4 s ILE 105 N -1.13 0.04 0.39 2.71 -4.36 -1.02 -0.48 121.20 117.34 2wh4 s ILE 105 Ca 0.21 -0.31 -0.24 0.00 -0.26 0.00 0.00 60.65 60.05 2wh4 s ILE 105 Cb -0.11 -0.61 -0.13 0.00 1.25 0.00 0.00 42.46 42.86 2wh4 s ILE 105 CO 0.12 -0.17 0.68 2.30 0.24 0.00 0.00 174.94 178.11 2wh4 n ILE 106 N 1.73 1.93 -2.88 8.37 -6.64 -1.26 -0.69 119.36 119.92 2wh4 n ILE 106 Ca -0.19 -0.50 -0.43 0.00 -1.77 0.00 0.00 62.75 59.86 2wh4 n ILE 106 Cb 0.56 -0.65 -0.04 0.00 -1.44 0.00 0.00 39.64 38.07 2wh4 n ILE 106 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2wh4 s ALA 107 N -1.35 3.14 0.83 -1.28 0.00 0.41 -4.52 121.76 118.99 2wh4 s ALA 107 Ca 0.63 -1.78 -0.13 0.00 0.00 0.00 0.00 51.96 50.68 2wh4 s ALA 107 Cb -0.63 -3.81 0.08 0.00 0.00 0.00 0.00 23.12 18.76 2wh4 s ALA 107 CO 0.58 -2.68 1.09 -0.35 0.00 0.00 0.00 175.76 174.40 2wh4 n PRO 108 N 7.55 0.04 -2.74 0.00 -0.04 -1.26 -1.33 135.00 137.22 2wh4 n PRO 108 Ca -0.04 0.09 -0.40 0.00 -0.04 0.00 0.00 63.50 63.11 2wh4 n PRO 108 Cb 0.45 -2.34 -0.06 0.00 -0.04 0.00 0.00 33.50 31.51 2wh4 n PRO 108 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2wh4 s ASP 109 N -2.16 7.63 0.00 3.54 -1.08 0.24 -3.39 116.67 121.45 2wh4 s ASP 109 Ca 0.71 1.96 0.00 0.00 -0.52 0.00 0.00 52.55 54.69 2wh4 s ASP 109 Cb -0.28 -2.61 0.00 0.00 -1.46 0.00 0.00 42.92 38.57 2wh4 s ASP 109 CO 0.54 0.15 0.00 0.61 0.52 0.00 0.00 175.17 176.99 2wh4 n GLY 110 N 1.47 0.57 3.79 2.66 0.00 -1.26 -4.66 105.19 107.76 2wh4 n GLY 110 Ca -0.02 -0.58 -0.38 0.00 0.00 0.00 0.00 46.02 45.04 2wh4 n GLY 110 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wh4 s LEU 111 N 0.00 4.42 0.34 0.99 1.98 -1.22 -5.08 118.68 120.12 2wh4 s LEU 111 Ca 0.00 1.01 0.09 0.00 -2.89 0.00 0.00 54.13 52.35 2wh4 s LEU 111 Cb 0.00 -2.73 -0.06 0.00 0.66 0.00 0.00 46.19 44.06 2wh4 s LEU 111 CO 0.00 0.20 -0.07 -1.10 -1.89 0.00 0.00 176.35 173.49 2wh4 s GLN 112 N -0.50 1.89 -0.42 1.98 -1.52 -1.26 -5.06 119.66 114.77 2wh4 s GLN 112 Ca 0.26 -1.88 -0.29 0.00 -1.95 0.00 0.00 55.36 51.51 2wh4 s GLN 112 Cb -0.17 -1.78 0.02 0.00 -0.22 0.00 0.00 33.01 30.87 2wh4 s GLN 112 CO 0.14 0.14 1.15 0.08 -0.25 0.00 0.00 175.29 176.55 2wh4 s VAL 113 N -2.58 4.26 0.00 1.09 1.01 -1.26 -3.38 120.40 119.55 2wh4 s VAL 113 Ca 0.33 1.35 0.00 0.00 0.00 0.00 0.00 61.98 63.66 2wh4 s VAL 113 Cb 0.01 -4.51 0.00 0.00 0.00 0.00 0.00 36.38 31.89 2wh4 s VAL 113 CO 0.17 -0.83 0.00 0.61 0.00 0.00 0.00 175.10 175.06 2wh4 n GLY 114 N 4.57 1.83 3.39 4.51 0.00 -0.75 -4.98 105.19 113.76 2wh4 n GLY 114 Ca 0.12 -0.38 -0.47 0.00 0.00 0.00 0.00 46.02 45.29 2wh4 n GLY 114 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2wh4 n GLN 115 N 0.00 0.01 -3.19 1.61 6.02 -1.22 -4.37 117.38 116.24 2wh4 n GLN 115 Ca 0.00 0.01 -0.40 0.00 -0.01 0.00 0.00 57.00 56.59 2wh4 n GLN 115 Cb 0.00 -1.01 -0.07 0.00 1.02 0.00 0.00 30.24 30.18 2wh4 n GLN 115 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2wh4 s GLN 116 N -1.01 4.03 0.10 -1.09 2.00 -1.26 -2.77 119.66 119.67 2wh4 s GLN 116 Ca 0.63 0.34 0.06 0.00 -2.00 0.00 0.00 55.36 54.39 2wh4 s GLN 116 Cb -0.88 -3.67 -0.03 0.00 0.80 0.00 0.00 33.01 29.23 2wh4 s GLN 116 CO 0.57 -0.41 -0.14 0.54 -0.50 0.00 0.00 175.29 175.35 2wh4 s VAL 117 N 2.39 1.26 -0.15 1.34 0.11 -0.89 -4.95 120.40 119.50 2wh4 s VAL 117 Ca 0.23 -1.55 -0.30 0.00 -2.93 0.00 0.00 61.98 57.43 2wh4 s VAL 117 Cb -0.15 -1.35 0.13 0.00 -1.53 0.00 0.00 36.38 33.47 2wh4 s VAL 117 CO 0.10 -0.32 1.00 0.54 -3.33 0.00 0.00 175.10 173.09 2wh4 s VAL 118 N -1.75 0.00 0.16 2.04 0.11 -1.26 -1.35 120.40 118.34 2wh4 s VAL 118 Ca 0.04 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 2wh4 s VAL 118 Cb -0.07 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.74 2wh4 s VAL 118 CO 0.03 0.00 -0.06 0.00 -3.33 0.00 0.00 175.10 171.73 2wh4 s ALA 119 N -1.27 3.04 0.00 1.54 0.00 -1.26 -3.70 121.76 120.11 2wh4 s ALA 119 Ca -0.01 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.58 2wh4 s ALA 119 Cb -0.01 -0.87 0.00 0.00 0.00 0.00 0.00 23.12 22.25 2wh4 s ALA 119 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 175.76 176.69 2wh4 n GLY 120 N 0.15 3.68 0.19 0.00 0.00 -0.50 -0.48 105.19 108.24 2wh4 n GLY 120 Ca -0.11 -0.83 0.10 0.00 0.00 0.00 0.00 46.02 45.18 2wh4 n GLY 120 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2wh4 h PRO 121 N 0.00 0.00 0.00 1.61 0.11 -1.96 -2.25 132.00 129.51 2wh4 h PRO 121 Ca 0.00 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.71 2wh4 h PRO 121 Cb 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.04 2wh4 h PRO 121 CO 0.00 0.00 -2.48 -0.40 -0.21 0.00 0.00 178.00 174.91 2wh4 n ASP 122 N -2.26 1.98 -1.32 -2.05 3.85 -1.26 -4.92 116.55 110.57 2wh4 n ASP 122 Ca -0.01 -0.08 -0.13 0.00 -0.71 0.00 0.00 54.79 53.86 2wh4 n ASP 122 Cb 0.23 -0.46 0.00 0.00 -1.35 0.00 0.00 41.12 39.54 2wh4 n ASP 122 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wh4 n ALA 123 N -3.35 -1.88 -1.77 2.12 0.00 -0.85 -4.85 120.51 109.93 2wh4 n ALA 123 Ca -0.47 0.02 -0.37 0.00 0.00 0.00 0.00 53.44 52.63 2wh4 n ALA 123 Cb 0.98 -0.45 -0.02 0.00 0.00 0.00 0.00 19.45 19.96 2wh4 n ALA 123 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wh4 s PRO 124 N -0.31 3.91 -0.48 0.00 0.04 -1.26 -4.89 135.00 132.02 2wh4 s PRO 124 Ca 0.18 1.74 -0.06 0.00 0.04 0.00 0.00 61.00 62.90 2wh4 s PRO 124 Cb -0.19 -2.50 -0.18 0.00 0.04 0.00 0.00 34.50 31.67 2wh4 s PRO 124 CO 0.20 -0.41 3.05 -0.89 0.04 0.00 0.00 177.00 178.98 2wh4 n ILE 125 N -0.26 3.00 -1.61 0.56 -0.00 -1.26 -4.77 119.36 115.02 2wh4 n ILE 125 Ca 0.06 -1.62 0.00 0.00 -0.00 0.00 0.00 62.75 61.19 2wh4 n ILE 125 Cb 0.48 -2.12 0.00 0.00 -0.00 0.00 0.00 39.64 38.00 2wh4 n ILE 125 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.55 178.22 2wh4 n GLN 126 N 2.97 0.41 -3.06 0.38 7.27 -1.26 -5.01 117.38 119.08 2wh4 n GLN 126 Ca 0.48 0.00 -0.44 0.00 0.07 0.00 0.00 57.00 57.11 2wh4 n GLN 126 Cb 0.60 0.00 -0.05 0.00 2.41 0.00 0.00 30.24 33.20 2wh4 n GLN 126 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 2wh4 s VAL 127 N -0.28 4.73 0.00 1.69 1.01 -1.26 -4.16 120.40 122.13 2wh4 s VAL 127 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2wh4 s VAL 127 Cb 0.00 -4.50 0.00 0.00 0.00 0.00 0.00 36.38 31.88 2wh4 s VAL 127 CO 0.00 -1.14 0.00 0.61 0.00 0.00 0.00 175.10 174.57 2wh4 n GLY 128 N 5.27 1.83 3.78 4.51 0.00 -0.80 -4.92 105.19 114.85 2wh4 n GLY 128 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2wh4 n GLY 128 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wh4 s ASN 129 N -1.60 2.62 -0.01 1.61 0.01 -1.26 -4.77 114.94 111.53 2wh4 s ASN 129 Ca 0.00 0.64 -0.01 0.00 -0.71 0.00 0.00 52.86 52.78 2wh4 s ASN 129 Cb 0.00 -0.94 0.01 0.00 0.41 0.00 0.00 41.25 40.73 2wh4 s ASN 129 CO 0.00 -3.07 0.04 0.00 -1.51 0.00 0.00 177.10 172.55 2wh4 s ALA 130 N -3.40 -0.07 -0.18 0.60 0.00 -1.24 -1.96 121.76 115.50 2wh4 s ALA 130 Ca 0.69 0.12 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 2wh4 s ALA 130 Cb -0.10 -0.08 0.13 0.00 0.00 0.00 0.00 23.12 23.08 2wh4 s ALA 130 CO 0.54 -0.02 1.03 -0.48 0.00 0.00 0.00 175.76 176.83 2wh4 s LEU 131 N 0.11 -0.35 0.27 0.00 0.05 -0.58 -1.41 118.68 116.77 2wh4 s LEU 131 Ca -0.01 0.42 -0.14 0.00 0.05 0.00 0.00 54.13 54.45 2wh4 s LEU 131 Cb -0.01 1.80 -0.11 0.00 -2.05 0.00 0.00 46.19 45.82 2wh4 s LEU 131 CO -0.00 -0.30 0.06 -2.65 -0.55 0.00 0.00 176.35 172.91 2wh4 n PRO 132 N 0.88 0.00 0.23 1.48 -0.02 -1.26 -3.71 135.00 132.60 2wh4 n PRO 132 Ca -0.10 0.00 0.16 0.00 -2.02 0.00 0.00 63.50 61.54 2wh4 n PRO 132 Cb 0.58 -0.67 0.67 0.00 -0.02 0.00 0.00 33.50 34.05 2wh4 n PRO 132 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2wh4 h LEU 133 N 0.22 0.00 0.13 2.45 3.38 -0.54 -2.51 115.31 118.45 2wh4 h LEU 133 Ca -0.25 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 2wh4 h LEU 133 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2wh4 h LEU 133 CO 0.32 0.00 -0.08 0.03 0.09 0.00 0.00 178.44 178.80 2wh4 h ARG 134 N 0.00 -0.20 -0.96 1.13 3.08 -1.83 -2.63 114.38 112.97 2wh4 h ARG 134 Ca 0.00 0.01 -0.06 0.00 0.07 0.00 0.00 59.98 60.01 2wh4 h ARG 134 Cb 0.39 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 2wh4 h ARG 134 CO 0.00 -0.13 0.07 1.19 -1.07 0.00 0.00 179.97 180.03 2wh4 n PHE 135 N -5.19 0.53 -3.88 3.04 3.72 -0.95 -4.78 117.46 109.95 2wh4 n PHE 135 Ca -0.08 -0.49 -0.35 0.00 -0.05 0.00 0.00 57.45 56.47 2wh4 n PHE 135 Cb 0.11 -0.30 -0.14 0.00 -0.94 0.00 0.00 39.48 38.22 2wh4 n PHE 135 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 2wh4 s ILE 136 N -0.96 3.48 -0.25 4.37 1.01 -0.99 -4.95 121.20 122.91 2wh4 s ILE 136 Ca 0.11 -0.52 -0.42 0.00 0.00 0.00 0.00 60.65 59.83 2wh4 s ILE 136 Cb 0.09 -2.62 -0.18 0.00 0.01 0.00 0.00 42.46 39.76 2wh4 s ILE 136 CO 0.03 0.37 1.55 -2.65 0.00 0.00 0.00 174.94 174.23 2wh4 n PRO 137 N 4.81 0.66 -1.53 2.79 -0.02 -1.26 -4.75 135.00 135.69 2wh4 n PRO 137 Ca -0.18 0.24 -0.43 0.00 -2.02 0.00 0.00 63.50 61.11 2wh4 n PRO 137 Cb 0.50 -1.84 -0.05 0.00 -0.02 0.00 0.00 33.50 32.09 2wh4 n PRO 137 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 2wh4 n VAL 138 N 3.69 0.15 0.00 -1.45 3.14 -1.26 -2.24 118.33 120.36 2wh4 n VAL 138 Ca 0.26 -0.46 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 2wh4 n VAL 138 Cb 0.08 -2.19 0.00 0.00 -1.06 0.00 0.00 33.84 30.67 2wh4 n VAL 138 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wh4 n GLY 139 N 6.14 1.83 3.70 7.55 0.00 -1.15 -4.95 105.19 118.30 2wh4 n GLY 139 Ca 0.38 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2wh4 n GLY 139 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh4 s THR 140 N -0.31 2.27 0.25 2.61 -4.23 -0.95 -4.28 115.64 111.00 2wh4 s THR 140 Ca 0.00 0.10 -0.01 0.00 -1.18 0.00 0.00 61.69 60.60 2wh4 s THR 140 Cb 0.00 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.44 2wh4 s THR 140 CO 0.00 -0.10 0.46 0.68 -0.54 0.00 0.00 174.62 175.12 2wh4 s VAL 141 N -2.45 5.14 0.18 2.29 -7.23 -1.26 -3.41 120.40 113.65 2wh4 s VAL 141 Ca 0.69 -0.29 -0.23 0.00 -1.81 0.00 0.00 61.98 60.34 2wh4 s VAL 141 Cb -0.24 -3.76 0.06 0.00 0.56 0.00 0.00 36.38 33.00 2wh4 s VAL 141 CO 0.54 -0.28 0.62 0.54 -0.31 0.00 0.00 175.10 176.20 2wh4 s VAL 142 N -2.01 0.00 0.00 1.32 0.11 -0.03 -1.71 120.40 118.08 2wh4 s VAL 142 Ca 0.40 -0.15 0.00 0.00 -2.93 0.00 0.00 61.98 59.30 2wh4 s VAL 142 Cb -0.11 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2wh4 s VAL 142 CO 0.30 0.00 0.00 0.00 -3.33 0.00 0.00 175.10 172.07 2wh4 n HIS 143 N -0.39 0.00 -2.97 1.54 1.44 -0.86 -0.76 115.22 113.22 2wh4 n HIS 143 Ca -0.15 0.00 -0.10 0.00 -2.01 0.00 0.00 57.72 55.46 2wh4 n HIS 143 Cb 0.64 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.73 2wh4 n HIS 143 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2wh4 n ALA 144 N -3.00 -1.04 -1.76 1.59 0.00 -0.65 -2.04 120.51 113.60 2wh4 n ALA 144 Ca 0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 53.44 53.00 2wh4 n ALA 144 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 19.45 18.46 2wh4 n ALA 144 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2wh4 s VAL 145 N -2.30 2.38 0.17 0.00 1.01 -1.14 -4.38 120.40 116.14 2wh4 s VAL 145 Ca 0.19 0.33 -0.06 0.00 0.00 0.00 0.00 61.98 62.44 2wh4 s VAL 145 Cb -0.11 -3.19 -0.06 0.00 0.00 0.00 0.00 36.38 33.02 2wh4 s VAL 145 CO 0.24 0.04 0.42 -0.70 0.00 0.00 0.00 175.10 175.10 2wh4 s GLU 146 N -2.43 3.66 -0.20 2.72 2.12 -0.80 -0.53 118.70 123.24 2wh4 s GLU 146 Ca 0.61 0.00 -0.18 0.00 0.36 0.00 0.00 54.97 55.76 2wh4 s GLU 146 Cb -0.40 -2.79 -0.20 0.00 0.26 0.00 0.00 34.13 31.00 2wh4 s GLU 146 CO 0.51 0.42 0.21 -0.11 -0.54 0.00 0.00 175.26 175.75 2wh4 n LEU 147 N -0.00 2.02 -4.34 2.70 7.94 -1.26 -4.82 117.00 119.24 2wh4 n LEU 147 Ca -0.02 0.37 -0.18 0.00 -1.11 0.00 0.00 56.01 55.08 2wh4 n LEU 147 Cb 0.52 -0.99 -0.10 0.00 0.53 0.00 0.00 43.42 43.38 2wh4 n LEU 147 CO 0.48 0.41 -0.42 -1.61 -1.11 0.00 0.00 177.39 175.14 2wh4 s GLU 148 N -2.41 1.31 0.11 1.96 2.02 -1.26 -4.24 118.70 116.18 2wh4 s GLU 148 Ca -0.28 -1.59 -0.31 0.00 0.02 0.00 0.00 54.97 52.81 2wh4 s GLU 148 Cb 0.06 -0.99 -0.10 0.00 0.10 0.00 0.00 34.13 33.20 2wh4 s GLU 148 CO 0.62 0.13 1.86 -1.25 0.02 0.00 0.00 175.26 176.64 2wh4 s PRO 149 N -3.69 4.13 -0.20 0.39 0.04 -1.26 -3.03 135.00 131.39 2wh4 s PRO 149 Ca 0.23 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.88 2wh4 s PRO 149 Cb 0.01 -3.69 0.00 0.00 0.04 0.00 0.00 34.50 30.86 2wh4 s PRO 149 CO 0.06 -0.87 0.00 1.63 0.04 0.00 0.00 177.00 177.87 2wh4 n LYS 150 N 5.98 -0.70 -0.04 4.56 4.76 -1.26 -4.91 118.16 126.56 2wh4 n LYS 150 Ca 0.18 0.33 0.12 0.00 -2.87 0.00 0.00 58.31 56.07 2wh4 n LYS 150 Cb 0.38 -3.95 0.17 0.00 -1.84 0.00 0.00 35.03 29.79 2wh4 n LYS 150 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2wh4 n LYS 151 N -1.80 2.29 0.00 1.97 5.02 -1.17 -5.06 118.16 119.41 2wh4 n LYS 151 Ca -0.02 -1.89 0.00 0.00 -2.02 0.00 0.00 58.31 54.38 2wh4 n LYS 151 Cb 0.20 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2wh4 n LYS 151 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wh4 n GLY 152 N 1.36 1.80 3.77 0.72 0.00 -1.26 -4.98 105.19 106.59 2wh4 n GLY 152 Ca 0.15 -1.60 -0.40 0.00 0.00 0.00 0.00 46.02 44.17 2wh4 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 s ALA 153 N -1.46 3.26 0.00 4.61 0.00 -1.21 -4.16 121.76 122.81 2wh4 s ALA 153 Ca 0.00 1.34 0.00 0.00 0.00 0.00 0.00 51.96 53.30 2wh4 s ALA 153 Cb 0.00 -3.53 0.00 0.00 0.00 0.00 0.00 23.12 19.59 2wh4 s ALA 153 CO 0.00 -0.98 0.00 1.63 0.00 0.00 0.00 175.76 176.41 2wh4 n LYS 154 N 0.02 2.67 -3.94 0.00 5.02 0.31 -4.92 118.16 117.32 2wh4 n LYS 154 Ca 0.04 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.05 2wh4 n LYS 154 Cb 0.43 -0.22 -0.03 0.00 -0.02 0.00 0.00 35.03 35.18 2wh4 n LYS 154 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2wh4 s LEU 155 N 0.00 4.35 -0.09 -0.35 1.02 -0.60 -4.77 118.68 118.23 2wh4 s LEU 155 Ca 0.00 0.21 -0.08 0.00 0.02 0.00 0.00 54.13 54.28 2wh4 s LEU 155 Cb 0.00 -2.93 0.01 0.00 0.02 0.00 0.00 46.19 43.29 2wh4 s LEU 155 CO 0.00 0.10 0.13 0.00 0.02 0.00 0.00 176.35 176.60 2wh4 n ALA 156 N -0.23 -1.97 -0.97 4.21 0.00 -1.26 -2.88 120.51 117.40 2wh4 n ALA 156 Ca -0.06 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wh4 n ALA 156 Cb 0.53 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 19.17 2wh4 n ALA 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2wh4 n ARG 157 N 0.92 0.05 -3.51 0.00 1.74 -1.26 -1.64 116.66 112.96 2wh4 n ARG 157 Ca -0.02 -0.39 -0.31 0.00 -0.77 0.00 0.00 57.85 56.37 2wh4 n ARG 157 Cb 0.50 -0.51 -0.05 0.00 -1.02 0.00 0.00 32.46 31.38 2wh4 n ARG 157 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh4 s ALA 158 N -0.02 3.67 -0.02 7.54 0.00 -1.26 -4.53 121.76 127.14 2wh4 s ALA 158 Ca 0.00 -0.45 -0.38 0.00 0.00 0.00 0.00 51.96 51.13 2wh4 s ALA 158 Cb 0.00 -2.28 -0.16 0.00 0.00 0.00 0.00 23.12 20.67 2wh4 s ALA 158 CO 0.00 0.52 1.46 0.00 0.00 0.00 0.00 175.76 177.74 2wh4 n ALA 159 N -0.22 -0.77 0.00 0.00 0.00 -1.26 -1.19 120.51 117.08 2wh4 n ALA 159 Ca -0.01 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.91 2wh4 n ALA 159 Cb 0.52 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.86 2wh4 n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wh4 n GLY 160 N 3.00 3.01 3.65 0.00 0.00 -0.96 -4.85 105.19 109.05 2wh4 n GLY 160 Ca 0.21 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.94 2wh4 n GLY 160 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wh4 s THR 161 N -1.20 2.24 0.00 2.61 -4.23 -0.33 -4.65 115.64 110.08 2wh4 s THR 161 Ca 0.00 0.08 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2wh4 s THR 161 Cb 0.00 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.37 2wh4 s THR 161 CO 0.00 -0.10 0.00 -1.54 -0.54 0.00 0.00 174.62 172.44 2wh4 n SER 162 N -4.23 0.00 -4.88 3.99 3.41 -1.26 -2.16 113.62 108.49 2wh4 n SER 162 Ca 0.06 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.46 2wh4 n SER 162 Cb 0.56 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2wh4 n SER 162 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wh4 s ALA 163 N -1.16 3.84 0.44 7.33 0.00 0.06 -4.38 121.76 127.89 2wh4 s ALA 163 Ca 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 51.96 50.45 2wh4 s ALA 163 Cb 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2wh4 s ALA 163 CO 0.00 0.09 0.02 0.94 0.00 0.00 0.00 175.76 176.81 2wh4 n GLN 164 N -1.37 0.93 -3.93 0.00 7.27 -0.94 -0.85 117.38 118.48 2wh4 n GLN 164 Ca -0.04 -3.19 -0.28 0.00 0.07 0.00 0.00 57.00 53.56 2wh4 n GLN 164 Cb 0.59 0.82 -0.17 0.00 2.41 0.00 0.00 30.24 33.89 2wh4 n GLN 164 CO 0.00 0.00 0.00 0.42 0.07 0.00 0.00 177.06 177.55 2wh4 s ILE 165 N -2.57 1.22 -1.90 1.69 1.01 -1.22 -2.45 121.20 116.98 2wh4 s ILE 165 Ca 0.02 -0.54 0.14 0.00 0.00 0.00 0.00 60.65 60.26 2wh4 s ILE 165 Cb -0.00 -1.28 0.42 0.00 0.01 0.00 0.00 42.46 41.61 2wh4 s ILE 165 CO 0.01 0.28 1.34 0.00 0.00 0.00 0.00 174.94 176.57 2wh4 n GLN 166 N 4.86 2.18 0.00 2.79 3.00 -1.15 -2.95 117.38 126.10 2wh4 n GLN 166 Ca -0.13 -1.70 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 2wh4 n GLN 166 Cb 0.49 -1.41 0.00 0.00 0.00 0.00 0.00 30.24 29.32 2wh4 n GLN 166 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2wh4 n GLY 167 N 1.18 1.94 3.92 1.08 0.00 -1.26 -4.92 105.19 107.14 2wh4 n GLY 167 Ca 0.16 -2.15 -0.22 0.00 0.00 0.00 0.00 46.02 43.81 2wh4 n GLY 167 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 168 N -1.58 2.43 0.00 1.61 3.00 -1.26 -0.84 118.95 122.30 2wh4 s ARG 168 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 55.73 54.05 2wh4 s ARG 168 Cb 0.00 -2.36 0.00 0.00 0.00 0.00 0.00 34.95 32.59 2wh4 s ARG 168 CO 0.00 -0.44 0.00 -1.91 0.00 0.00 0.00 175.30 172.95 2wh4 n GLU 169 N -1.75 0.00 0.00 3.54 2.13 -0.94 -4.81 120.64 118.81 2wh4 n GLU 169 Ca 0.04 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.86 2wh4 n GLU 169 Cb 0.62 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.33 2wh4 n GLU 169 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wh4 n GLY 170 N 0.00 0.54 0.18 8.31 0.00 -1.26 -2.45 105.19 110.51 2wh4 n GLY 170 Ca 0.00 -0.86 0.14 0.00 0.00 0.00 0.00 46.02 45.30 2wh4 n GLY 170 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2wh4 h ASP 171 N 2.75 0.00 -2.75 1.61 5.19 -2.01 -3.44 116.42 117.78 2wh4 h ASP 171 Ca 0.00 0.00 -0.45 0.00 -0.62 0.00 0.00 57.03 55.96 2wh4 h ASP 171 Cb 0.00 0.00 0.04 0.00 0.18 0.00 0.00 39.33 39.55 2wh4 h ASP 171 CO 0.00 0.00 -0.04 -0.31 -3.12 0.00 0.00 179.24 175.77 2wh4 s TYR 172 N -3.43 3.06 -0.02 4.55 2.02 -1.03 -0.18 117.35 122.32 2wh4 s TYR 172 Ca 0.03 0.17 -0.01 0.00 -0.37 0.00 0.00 57.07 56.89 2wh4 s TYR 172 Cb 0.09 -2.57 0.02 0.00 -0.40 0.00 0.00 41.96 39.10 2wh4 s TYR 172 CO 0.43 -0.65 0.04 0.54 -1.57 0.00 0.00 175.55 174.34 2wh4 s VAL 173 N -2.70 -0.03 0.27 0.71 0.11 -0.10 -2.22 120.40 116.45 2wh4 s VAL 173 Ca 0.53 0.11 -0.29 0.00 -2.93 0.00 0.00 61.98 59.39 2wh4 s VAL 173 Cb -0.10 -0.08 -0.09 0.00 -1.53 0.00 0.00 36.38 34.58 2wh4 s VAL 173 CO 0.39 0.04 1.04 -0.63 -3.33 0.00 0.00 175.10 172.61 2wh4 s ILE 174 N 0.55 3.72 0.16 7.04 1.01 -0.02 -1.17 121.20 132.48 2wh4 s ILE 174 Ca -0.04 1.70 0.04 0.00 0.00 0.00 0.00 60.65 62.35 2wh4 s ILE 174 Cb -0.06 -4.07 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2wh4 s ILE 174 CO -0.02 0.38 -0.09 -0.76 0.00 0.00 0.00 174.94 174.45 2wh4 s LEU 175 N -1.44 2.48 -0.36 2.97 1.02 -1.00 -2.95 118.68 119.39 2wh4 s LEU 175 Ca 0.44 -1.04 0.03 0.00 0.02 0.00 0.00 54.13 53.58 2wh4 s LEU 175 Cb -0.29 -0.33 0.10 0.00 0.02 0.00 0.00 46.19 45.69 2wh4 s LEU 175 CO 0.37 -0.36 0.08 -0.60 0.02 0.00 0.00 176.35 175.86 2wh4 s ARG 176 N -3.76 1.57 0.80 1.70 6.06 -1.03 -3.13 118.95 121.17 2wh4 s ARG 176 Ca 0.18 -1.93 -0.11 0.00 -2.50 0.00 0.00 55.73 51.37 2wh4 s ARG 176 Cb 0.03 -3.26 0.07 0.00 0.06 0.00 0.00 34.95 31.85 2wh4 s ARG 176 CO 0.02 -0.97 1.09 -0.51 -2.50 0.00 0.00 175.30 172.43 2wh4 s LEU 177 N 0.84 2.62 0.22 -0.88 1.43 -1.20 -2.22 118.68 119.49 2wh4 s LEU 177 Ca 0.11 1.36 -0.10 0.00 -1.03 0.00 0.00 54.13 54.47 2wh4 s LEU 177 Cb -0.20 -3.98 0.32 0.00 0.03 0.00 0.00 46.19 42.37 2wh4 s LEU 177 CO -0.07 -2.00 1.66 -0.65 0.23 0.00 0.00 176.35 175.52 2wh4 h PRO 178 N -1.11 0.12 0.05 1.29 0.11 -1.93 -1.68 132.00 128.84 2wh4 h PRO 178 Ca -0.47 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.65 2wh4 h PRO 178 Cb 1.26 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.30 2wh4 h PRO 178 CO 0.58 0.08 -0.53 0.77 -0.21 0.00 0.00 178.00 178.69 2wh4 h SER 179 N 0.12 -1.63 0.00 -2.05 0.02 -1.95 -3.46 113.55 104.59 2wh4 h SER 179 Ca 0.34 0.18 0.00 0.00 -0.84 0.00 0.00 61.79 61.47 2wh4 h SER 179 Cb 0.56 0.61 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2wh4 h SER 179 CO -0.55 -0.54 0.00 0.61 -1.14 0.00 0.00 176.83 175.21 2wh4 n GLY 180 N -1.47 0.42 3.30 -3.77 0.00 -0.63 -5.03 105.19 98.00 2wh4 n GLY 180 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 2wh4 n GLY 180 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wh4 n GLU 181 N 0.00 -1.53 -3.52 1.61 1.02 -1.26 -4.53 120.64 112.43 2wh4 n GLU 181 Ca 0.00 -0.43 -0.28 0.00 -0.02 0.00 0.00 57.16 56.43 2wh4 n GLU 181 Cb 0.00 -1.73 -0.12 0.00 -0.02 0.00 0.00 31.44 29.57 2wh4 n GLU 181 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wh4 s LEU 182 N -1.49 1.74 0.05 -4.62 1.43 -0.70 -3.20 118.68 111.88 2wh4 s LEU 182 Ca 0.57 -2.69 0.07 0.00 -1.03 0.00 0.00 54.13 51.04 2wh4 s LEU 182 Cb -0.13 -0.63 -0.03 0.00 0.03 0.00 0.00 46.19 45.43 2wh4 s LEU 182 CO 0.66 -0.24 -0.15 0.00 0.23 0.00 0.00 176.35 176.86 2wh4 s ARG 183 N 0.40 2.14 0.13 1.70 1.70 -1.18 -0.90 118.95 122.94 2wh4 s ARG 183 Ca 0.23 -0.96 -0.30 0.00 -0.47 0.00 0.00 55.73 54.24 2wh4 s ARG 183 Cb -0.13 -2.26 -0.07 0.00 -0.57 0.00 0.00 34.95 31.93 2wh4 s ARG 183 CO -0.08 0.54 1.09 0.15 -1.08 0.00 0.00 175.30 175.93 2wh4 s LYS 184 N -1.63 4.57 -0.02 3.89 1.02 0.84 -2.39 119.74 126.02 2wh4 s LYS 184 Ca 0.16 1.67 0.07 0.00 0.02 0.00 0.00 55.97 57.89 2wh4 s LYS 184 Cb -0.11 -3.32 -0.02 0.00 -0.52 0.00 0.00 37.83 33.87 2wh4 s LYS 184 CO 0.08 0.01 -0.23 0.08 -0.92 0.00 0.00 175.35 174.36 2wh4 s VAL 185 N 0.19 1.82 0.63 3.17 1.01 -0.32 -4.89 120.40 122.00 2wh4 s VAL 185 Ca 0.51 -0.98 -0.18 0.00 0.00 0.00 0.00 61.98 61.34 2wh4 s VAL 185 Cb -0.28 -1.51 -0.04 0.00 0.00 0.00 0.00 36.38 34.55 2wh4 s VAL 185 CO 0.32 0.51 0.92 1.57 0.00 0.00 0.00 175.10 178.43 2wh4 n HIS 186 N 2.56 0.64 -0.02 5.22 -0.00 -1.26 -0.92 115.22 121.44 2wh4 n HIS 186 Ca -0.16 0.42 -0.12 0.00 0.46 0.00 0.00 57.72 58.33 2wh4 n HIS 186 Cb 0.52 -2.11 -0.06 0.00 -0.12 0.00 0.00 29.99 28.22 2wh4 n HIS 186 CO 0.00 0.00 0.00 0.78 0.46 0.00 0.00 176.34 177.58 2wh4 h GLY 187 N 0.27 0.16 0.24 1.57 0.00 -0.87 -2.71 103.07 101.74 2wh4 h GLY 187 Ca -0.48 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.76 2wh4 h GLY 187 CO 0.49 0.09 0.00 1.18 0.00 0.00 0.00 176.54 178.30 2wh4 n GLU 188 N -4.91 0.04 -2.63 4.80 -0.58 -1.26 -1.49 120.64 114.62 2wh4 n GLU 188 Ca -0.06 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.25 2wh4 n GLU 188 Cb 0.12 -1.12 -0.02 0.00 -0.57 0.00 0.00 31.44 29.85 2wh4 n GLU 188 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wh4 s TYR 190 N 3.95 1.66 0.08 0.00 1.51 -1.26 -1.89 117.35 121.40 2wh4 s TYR 190 Ca 0.46 1.47 -0.26 0.00 -1.01 0.00 0.00 57.07 57.72 2wh4 s TYR 190 Cb -0.10 -3.21 0.08 0.00 -0.11 0.00 0.00 41.96 38.62 2wh4 s TYR 190 CO 0.22 -3.13 0.87 0.00 -1.11 0.00 0.00 175.55 172.40 2wh4 s ALA 191 N -2.63 -1.71 -0.31 3.71 0.00 -1.24 -1.90 121.76 117.67 2wh4 s ALA 191 Ca 0.67 0.60 0.03 0.00 0.00 0.00 0.00 51.96 53.25 2wh4 s ALA 191 Cb -0.23 0.57 0.09 0.00 0.00 0.00 0.00 23.12 23.54 2wh4 s ALA 191 CO 0.60 -0.83 0.00 0.99 0.00 0.00 0.00 175.76 176.52 2wh4 s THR 192 N -3.28 2.07 -0.09 0.00 2.01 -0.87 -1.53 115.64 113.95 2wh4 s THR 192 Ca 0.07 -1.99 -0.39 0.00 0.31 0.00 0.00 61.69 59.69 2wh4 s THR 192 Cb -0.01 -2.42 -0.17 0.00 0.01 0.00 0.00 72.50 69.91 2wh4 s THR 192 CO -0.05 -0.42 1.48 0.55 -0.69 0.00 0.00 174.62 175.49 2wh4 n VAL 193 N 4.38 0.11 0.00 3.82 3.14 -0.83 -2.03 118.33 126.93 2wh4 n VAL 193 Ca -0.03 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.33 2wh4 n VAL 193 Cb 0.42 -0.87 0.00 0.00 -1.06 0.00 0.00 33.84 32.33 2wh4 n VAL 193 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wh4 n GLY 194 N 3.13 0.85 3.01 7.55 0.00 -0.70 -1.90 105.19 117.13 2wh4 n GLY 194 Ca 0.22 -1.99 -0.18 0.00 0.00 0.00 0.00 46.02 44.07 2wh4 n GLY 194 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wh4 s ALA 195 N -1.26 0.67 0.38 4.61 0.00 -1.26 -2.27 121.76 122.64 2wh4 s ALA 195 Ca 0.00 -0.38 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 2wh4 s ALA 195 Cb 0.00 -0.16 -0.11 0.00 0.00 0.00 0.00 23.12 22.85 2wh4 s ALA 195 CO 0.00 0.15 1.08 0.28 0.00 0.00 0.00 175.76 177.28 2wh4 n VAL 196 N 2.77 2.30 -0.06 0.00 0.31 -0.92 0.80 118.33 123.53 2wh4 n VAL 196 Ca -0.14 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2wh4 n VAL 196 Cb 0.57 -1.24 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 2wh4 n VAL 196 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wh4 n GLY 197 N 1.08 -3.01 1.00 2.92 0.00 -0.44 -3.30 105.19 103.44 2wh4 n GLY 197 Ca 0.08 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.82 2wh4 n GLY 197 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wh4 n ASN 198 N -0.93 0.00 -0.05 1.61 5.15 -1.26 -2.27 115.26 117.51 2wh4 n ASN 198 Ca 0.00 0.00 0.12 0.00 -0.60 0.00 0.00 54.58 54.10 2wh4 n ASN 198 Cb 0.00 0.00 0.23 0.00 -0.53 0.00 0.00 39.78 39.48 2wh4 n ASN 198 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wh4 n ALA 199 N 0.00 3.59 0.99 5.20 0.00 -1.26 -3.83 120.51 125.20 2wh4 n ALA 199 Ca 0.00 -0.39 0.10 0.00 0.00 0.00 0.00 53.44 53.15 2wh4 n ALA 199 Cb 0.00 -1.08 0.51 0.00 0.00 0.00 0.00 19.45 18.88 2wh4 n ALA 199 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wh4 n ASP 200 N -1.33 0.00 -0.04 0.00 8.00 -1.26 -4.02 116.55 117.90 2wh4 n ASP 200 Ca 0.07 -0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 2wh4 n ASP 200 Cb 0.34 -0.23 -0.08 0.00 -0.02 0.00 0.00 41.12 41.13 2wh4 n ASP 200 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 2wh4 h HIS 201 N 0.00 -1.36 0.00 1.24 2.76 -1.93 -1.10 115.15 114.75 2wh4 h HIS 201 Ca 0.00 0.06 0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2wh4 h HIS 201 Cb 0.15 0.62 0.00 0.00 1.55 0.00 0.00 27.41 29.73 2wh4 h HIS 201 CO 0.00 -0.44 0.00 0.36 -1.30 0.00 0.00 177.93 176.55 2wh4 n LYS 202 N -4.91 0.00 -0.03 5.26 2.85 -1.26 -0.81 118.16 119.26 2wh4 n LYS 202 Ca -0.04 0.00 0.01 0.00 -1.05 0.00 0.00 58.31 57.23 2wh4 n LYS 202 Cb 0.30 -1.10 0.03 0.00 -0.65 0.00 0.00 35.03 33.60 2wh4 n LYS 202 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 2wh4 n ASN 203 N -0.48 2.08 -4.75 -5.58 4.13 -0.42 -5.00 115.26 105.25 2wh4 n ASN 203 Ca 0.00 -1.91 -0.40 0.00 1.68 0.00 0.00 54.58 53.95 2wh4 n ASN 203 Cb 0.00 -0.04 -0.05 0.00 -1.54 0.00 0.00 39.78 38.15 2wh4 n ASN 203 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 2wh4 s ILE 204 N -0.92 4.35 -0.33 2.41 1.01 0.01 -5.00 121.20 122.73 2wh4 s ILE 204 Ca 0.04 1.95 -0.03 0.00 0.00 0.00 0.00 60.65 62.61 2wh4 s ILE 204 Cb 0.02 -4.26 0.06 0.00 0.01 0.00 0.00 42.46 38.29 2wh4 s ILE 204 CO 0.03 0.43 0.06 -0.69 0.00 0.00 0.00 174.94 174.76 2wh4 s VAL 205 N -0.66 3.17 0.00 2.92 1.01 -1.23 -4.99 120.40 120.62 2wh4 s VAL 205 Ca 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.92 2wh4 s VAL 205 Cb -0.24 -2.89 0.00 0.00 0.00 0.00 0.00 36.38 33.25 2wh4 s VAL 205 CO 0.29 -0.23 0.73 0.18 0.00 0.00 0.00 175.10 176.07 2wh4 n LEU 206 N 4.65 0.00 0.00 3.92 4.77 -1.26 -1.32 117.00 127.75 2wh4 n LEU 206 Ca -0.11 0.73 0.00 0.00 -0.03 0.00 0.00 56.01 56.60 2wh4 n LEU 206 Cb 0.43 -0.23 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wh4 n LEU 206 CO 0.28 -0.23 0.00 0.61 -1.33 0.00 0.00 177.39 176.72 2wh4 n GLY 207 N -0.95 0.37 3.13 -0.72 0.00 -1.26 -4.31 105.19 101.44 2wh4 n GLY 207 Ca 0.00 -1.36 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 2wh4 n GLY 207 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2wh4 n LYS 208 N 0.00 -2.17 0.04 1.61 2.85 -1.23 -4.85 118.16 114.41 2wh4 n LYS 208 Ca 0.00 -0.63 -0.12 0.00 -1.05 0.00 0.00 58.31 56.51 2wh4 n LYS 208 Cb 0.00 -1.58 0.00 0.00 -0.65 0.00 0.00 35.03 32.80 2wh4 n LYS 208 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh4 h ALA 209 N -2.49 0.51 -0.61 0.58 0.00 -1.96 -3.34 119.26 111.96 2wh4 h ALA 209 Ca -0.37 -0.62 0.06 0.00 0.00 0.00 0.00 54.91 53.98 2wh4 h ALA 209 Cb 1.05 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.72 2wh4 h ALA 209 CO 0.25 0.76 -0.34 0.41 0.00 0.00 0.00 179.25 180.32 2wh4 n GLY 210 N 0.64 -1.54 0.36 0.00 0.00 -1.26 -0.82 105.19 102.56 2wh4 n GLY 210 Ca -0.05 0.72 -0.11 0.00 0.00 0.00 0.00 46.02 46.57 2wh4 n GLY 210 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wh4 h ARG 211 N 0.00 -0.43 -1.79 1.61 3.08 -1.92 0.18 114.38 115.11 2wh4 h ARG 211 Ca 0.11 0.03 0.54 0.00 0.07 0.00 0.00 59.98 60.73 2wh4 h ARG 211 Cb 0.26 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.32 2wh4 h ARG 211 CO -0.57 -0.29 1.26 0.43 -1.07 0.00 0.00 179.97 179.74 2wh4 n SER 212 N -5.42 0.05 -0.07 7.04 7.64 -0.00 0.55 113.62 123.41 2wh4 n SER 212 Ca -0.04 1.06 -0.18 0.00 1.01 0.00 0.00 58.87 60.73 2wh4 n SER 212 Cb 0.34 -0.53 -0.13 0.00 -1.01 0.00 0.00 64.21 62.89 2wh4 n SER 212 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 2wh4 h ARG 213 N 0.00 0.04 -0.36 1.43 2.47 -0.62 -0.66 114.38 116.68 2wh4 h ARG 213 Ca 0.90 -0.07 0.10 0.00 -1.26 0.00 0.00 59.98 59.66 2wh4 h ARG 213 Cb 3.47 0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 31.80 2wh4 h ARG 213 CO -0.12 1.03 0.48 -1.49 0.56 0.00 0.00 179.97 180.43 2wh4 h TRP 214 N -0.90 0.00 -0.01 3.04 6.55 0.12 2.10 115.95 126.85 2wh4 h TRP 214 Ca -0.16 0.00 0.00 0.00 0.95 0.00 0.00 58.89 59.68 2wh4 h TRP 214 Cb 1.21 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.51 2wh4 h TRP 214 CO 0.20 0.00 -0.06 1.28 -1.05 0.00 0.00 178.44 178.81 2wh4 n LEU 215 N -3.50 0.83 0.00 -4.49 4.77 -0.31 -2.43 117.00 111.87 2wh4 n LEU 215 Ca 0.06 -0.22 0.00 0.00 -0.03 0.00 0.00 56.01 55.82 2wh4 n LEU 215 Cb 0.63 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2wh4 n LEU 215 CO 0.24 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2wh4 n GLY 216 N 1.18 0.61 3.23 -0.72 0.00 0.71 -4.85 105.19 105.35 2wh4 n GLY 216 Ca 0.18 -0.66 -0.38 0.00 0.00 0.00 0.00 46.02 45.16 2wh4 n GLY 216 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wh4 s ARG 217 N -1.22 2.49 0.87 1.61 0.52 -0.26 -1.90 118.95 121.06 2wh4 s ARG 217 Ca 0.00 -1.36 -0.11 0.00 -0.52 0.00 0.00 55.73 53.75 2wh4 s ARG 217 Cb 0.00 -3.51 0.11 0.00 0.52 0.00 0.00 34.95 32.07 2wh4 s ARG 217 CO 0.00 -0.79 1.10 1.03 0.02 0.00 0.00 175.30 176.66 2wh4 s ARG 218 N 1.35 1.47 0.56 3.54 1.81 -0.96 -3.99 118.95 122.74 2wh4 s ARG 218 Ca 0.00 1.17 -0.21 0.00 -1.72 0.00 0.00 55.73 54.97 2wh4 s ARG 218 Cb -0.21 -1.81 -0.04 0.00 -0.45 0.00 0.00 34.95 32.44 2wh4 s ARG 218 CO 0.01 -2.19 1.36 -1.25 -0.68 0.00 0.00 175.30 172.55 2wh4 s PRO 219 N -4.81 3.05 -0.32 3.54 0.04 -1.26 -4.82 135.00 130.41 2wh4 s PRO 219 Ca 0.64 2.25 -0.07 0.00 0.04 0.00 0.00 61.00 63.85 2wh4 s PRO 219 Cb -0.19 -2.21 0.02 0.00 0.04 0.00 0.00 34.50 32.16 2wh4 s PRO 219 CO 0.57 -1.27 0.11 -1.58 0.04 0.00 0.00 177.00 174.88 2wh4 s HIS 220 N -1.30 3.20 -0.35 0.56 2.46 -1.26 -4.78 115.29 113.83 2wh4 s HIS 220 Ca 0.73 -1.13 -0.21 0.00 0.47 0.00 0.00 55.06 54.92 2wh4 s HIS 220 Cb -0.41 -2.29 0.00 0.00 -0.13 0.00 0.00 32.58 29.75 2wh4 s HIS 220 CO 0.48 -0.64 0.69 0.54 -2.47 0.00 0.00 174.74 173.34 2wh4 s VAL 221 N 1.47 4.83 0.92 0.89 0.11 -1.26 -5.02 120.40 122.35 2wh4 s VAL 221 Ca 0.01 0.72 -0.16 0.00 -2.93 0.00 0.00 61.98 59.63 2wh4 s VAL 221 Cb -0.18 -4.12 -0.08 0.00 -1.53 0.00 0.00 36.38 30.46 2wh4 s VAL 221 CO 0.03 -0.35 -0.27 0.54 -3.33 0.00 0.00 175.10 171.73 2wh4 n ARG 222 N 6.17 -0.06 0.10 1.54 1.74 -1.26 -4.89 116.66 120.00 2wh4 n ARG 222 Ca 0.00 -0.00 -0.22 0.00 -0.77 0.00 0.00 57.85 56.86 2wh4 n ARG 222 Cb 0.48 -1.34 -0.15 0.00 -1.02 0.00 0.00 32.46 30.44 2wh4 n ARG 222 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2wh4 h GLY 223 N -1.04 0.48 0.71 -0.13 0.00 -1.95 -3.26 103.07 97.88 2wh4 h GLY 223 Ca -0.44 -1.22 0.00 0.00 0.00 0.00 0.00 47.33 45.67 2wh4 h GLY 223 CO 0.30 1.07 0.00 0.00 0.00 0.00 0.00 176.54 177.91 2wh4 n ALA 224 N -2.71 1.08 -0.03 3.60 0.00 -1.24 -0.67 120.51 120.54 2wh4 n ALA 224 Ca -0.16 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.31 2wh4 n ALA 224 Cb 0.97 -0.72 -0.16 0.00 0.00 0.00 0.00 19.45 19.54 2wh4 n ALA 224 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wh4 n ALA 225 N -0.85 2.30 -1.14 0.00 0.00 -1.23 -4.48 120.51 115.10 2wh4 n ALA 225 Ca 0.00 -0.79 -0.04 0.00 0.00 0.00 0.00 53.44 52.61 2wh4 n ALA 225 Cb 0.00 -0.58 0.04 0.00 0.00 0.00 0.00 19.45 18.91 2wh4 n ALA 225 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wh4 n MET 226 N -2.48 -0.56 -4.27 0.00 2.81 0.15 -4.94 117.12 107.82 2wh4 n MET 226 Ca -0.14 -0.40 -0.23 0.00 -1.81 0.00 0.00 57.70 55.12 2wh4 n MET 226 Cb 0.79 -0.29 -0.07 0.00 -0.71 0.00 0.00 33.22 32.94 2wh4 n MET 226 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 2wh4 s ASN 227 N -2.01 4.66 0.59 7.83 -0.87 -1.26 -4.50 114.94 119.38 2wh4 s ASN 227 Ca 0.15 -0.60 0.33 0.00 -1.57 0.00 0.00 52.86 51.18 2wh4 s ASN 227 Cb -0.01 -0.91 1.19 0.00 -0.02 0.00 0.00 41.25 41.50 2wh4 s ASN 227 CO 0.11 -0.00 1.43 1.55 -2.57 0.00 0.00 177.10 177.62 2wh4 h PRO 228 N 1.86 0.00 0.00 -0.60 0.13 -1.75 0.78 132.00 132.42 2wh4 h PRO 228 Ca -0.45 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.59 2wh4 h PRO 228 Cb 1.25 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2wh4 h PRO 228 CO 0.60 0.00 -0.46 0.28 -0.23 0.00 0.00 178.00 178.20 2wh4 h VAL 229 N 0.00 1.04 0.00 1.56 2.07 -1.94 -3.31 116.25 115.68 2wh4 h VAL 229 Ca 0.58 -1.75 0.00 0.00 0.82 0.00 0.00 66.70 66.35 2wh4 h VAL 229 Cb 2.98 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 34.78 2wh4 h VAL 229 CO -0.01 0.45 -1.63 0.47 0.02 0.00 0.00 177.57 176.87 2wh4 n ASP 230 N -3.58 0.62 -3.58 0.57 8.00 0.27 -5.05 116.55 113.81 2wh4 n ASP 230 Ca -0.00 -0.25 -0.08 0.00 0.71 0.00 0.00 54.79 55.17 2wh4 n ASP 230 Cb 0.56 1.66 -0.02 0.00 -0.02 0.00 0.00 41.12 43.30 2wh4 n ASP 230 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 2wh4 s HIS 231 N -3.21 -0.33 0.16 1.24 2.46 -1.11 -4.92 115.29 109.58 2wh4 s HIS 231 Ca -0.03 0.10 -0.07 0.00 0.47 0.00 0.00 55.06 55.53 2wh4 s HIS 231 Cb 0.13 0.59 0.01 0.00 -0.13 0.00 0.00 32.58 33.18 2wh4 s HIS 231 CO 0.80 -0.76 1.44 -1.35 -2.47 0.00 0.00 174.74 172.40 2wh4 h PRO 232 N 2.00 0.66 -3.82 2.88 0.11 -1.85 -3.29 132.00 128.69 2wh4 h PRO 232 Ca -0.25 -0.45 -0.71 0.00 0.11 0.00 0.00 66.00 64.69 2wh4 h PRO 232 Cb 1.26 0.07 -0.05 0.00 0.11 0.00 0.00 31.00 32.38 2wh4 h PRO 232 CO 0.31 1.07 3.02 0.72 -0.21 0.00 0.00 178.00 182.91 2wh4 n HIS 233 N -3.95 3.34 0.05 0.65 8.25 -1.26 -4.54 115.22 117.75 2wh4 n HIS 233 Ca -0.04 -2.96 0.04 0.00 -0.26 0.00 0.00 57.72 54.50 2wh4 n HIS 233 Cb 0.65 -2.45 0.08 0.00 1.12 0.00 0.00 29.99 29.38 2wh4 n HIS 233 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2wh4 n GLY 234 N 3.82 1.47 0.34 -1.41 0.00 -1.24 -3.63 105.19 104.54 2wh4 n GLY 234 Ca 0.52 -0.24 0.19 0.00 0.00 0.00 0.00 46.02 46.49 2wh4 n GLY 234 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2wh4 h GLY 235 N 1.41 1.92 -0.01 -0.02 0.00 -1.82 -3.23 103.07 101.32 2wh4 h GLY 235 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.05 2wh4 h GLY 235 CO 0.00 -0.31 0.00 0.61 0.00 0.00 0.00 176.54 176.84 2wh4 n GLY 236 N -1.31 0.00 2.77 4.60 0.00 -1.26 -4.69 105.19 105.30 2wh4 n GLY 236 Ca 0.28 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.99 2wh4 n GLY 236 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2wh4 n GLU 237 N -0.00 1.96 -1.83 1.61 0.00 -1.26 -3.70 120.64 117.41 2wh4 n GLU 237 Ca 0.00 -1.65 0.00 0.00 0.00 0.00 0.00 57.16 55.51 2wh4 n GLU 237 Cb 0.00 -2.65 0.00 0.00 0.00 0.00 0.00 31.44 28.79 2wh4 n GLU 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wh4 n GLY 238 N 4.03 0.58 1.87 8.31 0.00 -1.26 -4.77 105.19 113.95 2wh4 n GLY 238 Ca 0.47 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2wh4 n GLY 238 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wh4 n ARG 239 N -1.13 -3.93 -3.88 1.61 1.74 -1.24 -5.03 116.66 104.78 2wh4 n ARG 239 Ca 0.00 2.81 -0.11 0.00 -0.77 0.00 0.00 57.85 59.78 2wh4 n ARG 239 Cb 0.49 -3.22 -0.10 0.00 -1.02 0.00 0.00 32.46 28.62 2wh4 n ARG 239 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wh4 s ALA 240 N -1.14 -0.28 1.12 7.54 0.00 -1.26 -4.97 121.76 122.78 2wh4 s ALA 240 Ca 0.00 -0.21 -0.12 0.00 0.00 0.00 0.00 51.96 51.62 2wh4 s ALA 240 Cb 0.00 0.14 0.26 0.00 0.00 0.00 0.00 23.12 23.52 2wh4 s ALA 240 CO 0.00 -0.22 1.05 -1.25 0.00 0.00 0.00 175.76 175.33 2wh4 s PRO 241 N -1.58 -0.57 -0.23 0.00 0.04 -1.26 -4.75 135.00 126.66 2wh4 s PRO 241 Ca -0.13 0.85 -0.31 0.00 0.04 0.00 0.00 61.00 61.45 2wh4 s PRO 241 Cb -0.07 -1.59 -0.08 0.00 0.04 0.00 0.00 34.50 32.80 2wh4 s PRO 241 CO 0.01 -3.49 2.17 0.54 0.04 0.00 0.00 177.00 176.27 2wh4 n ARG 242 N -4.75 1.79 -0.17 4.56 5.12 -1.26 -4.72 116.66 117.22 2wh4 n ARG 242 Ca 0.04 0.52 0.11 0.00 -1.93 0.00 0.00 57.85 56.58 2wh4 n ARG 242 Cb 0.54 -2.96 0.20 0.00 -1.16 0.00 0.00 32.46 29.09 2wh4 n ARG 242 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2wh4 n GLY 243 N 5.80 -0.59 0.00 -0.13 0.00 -1.26 -4.74 105.19 104.27 2wh4 n GLY 243 Ca 0.32 0.47 0.00 0.00 0.00 0.00 0.00 46.02 46.81 2wh4 n GLY 243 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2wh4 n ARG 244 N -4.45 0.00 -4.92 1.61 3.00 -1.26 -5.07 116.66 105.57 2wh4 n ARG 244 Ca 0.14 0.00 -0.30 0.00 -0.00 0.00 0.00 57.85 57.69 2wh4 n ARG 244 Cb 0.48 0.00 -0.15 0.00 0.00 0.00 0.00 32.46 32.79 2wh4 n ARG 244 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2wh4 s PRO 245 N -4.44 1.82 0.00 -0.14 0.04 -1.26 -5.01 135.00 126.01 2wh4 s PRO 245 Ca 0.00 -1.10 0.00 0.00 0.04 0.00 0.00 61.00 59.94 2wh4 s PRO 245 Cb 0.00 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 2wh4 s PRO 245 CO 0.00 0.51 0.00 -2.30 0.04 0.00 0.00 177.00 175.25 2wh4 n PRO 246 N 1.80 0.00 -4.20 0.56 -0.02 -1.26 -4.83 135.00 127.05 2wh4 n PRO 246 Ca -0.17 0.00 -0.12 0.00 -2.02 0.00 0.00 63.50 61.19 2wh4 n PRO 246 Cb 0.52 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.90 2wh4 n PRO 246 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wh4 s ALA 247 N 0.00 1.19 0.14 3.55 0.00 -1.26 -2.63 121.76 122.74 2wh4 s ALA 247 Ca 0.00 -1.71 0.07 0.00 0.00 0.00 0.00 51.96 50.32 2wh4 s ALA 247 Cb 0.00 1.38 -0.04 0.00 0.00 0.00 0.00 23.12 24.46 2wh4 s ALA 247 CO 0.00 -0.59 -0.02 -1.54 0.00 0.00 0.00 175.76 173.61 2wh4 s SER 248 N -3.16 4.77 0.16 0.00 1.04 -0.69 -4.84 113.70 110.97 2wh4 s SER 248 Ca 0.39 -0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.54 2wh4 s SER 248 Cb 0.07 -1.03 0.49 0.00 0.10 0.00 0.00 66.02 65.65 2wh4 s SER 248 CO 0.12 0.13 0.73 -2.65 0.98 0.00 0.00 173.24 172.55 2wh4 n PRO 249 N 0.21 -0.03 0.15 4.02 -0.02 -1.26 0.12 135.00 138.19 2wh4 n PRO 249 Ca -0.11 0.67 0.05 0.00 -2.02 0.00 0.00 63.50 62.09 2wh4 n PRO 249 Cb 0.54 -1.13 0.05 0.00 -0.02 0.00 0.00 33.50 32.94 2wh4 n PRO 249 CO 0.00 0.00 0.00 -1.49 1.98 0.00 0.00 175.50 175.99 2wh4 h TRP 250 N 0.00 0.00 0.00 6.00 6.55 -1.94 -3.42 115.95 123.14 2wh4 h TRP 250 Ca 0.34 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.18 2wh4 h TRP 250 Cb 0.81 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 29.11 2wh4 h TRP 250 CO -0.12 0.39 0.00 0.41 -1.05 0.00 0.00 178.44 178.07 2wh4 n GLY 251 N 1.20 1.47 3.84 1.49 0.00 0.33 -5.11 105.19 108.42 2wh4 n GLY 251 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wh4 n GLY 251 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2wh4 s TRP 252 N -0.99 3.40 0.48 1.61 1.48 -1.26 -4.72 118.94 118.94 2wh4 s TRP 252 Ca 0.00 1.38 -0.21 0.00 -1.06 0.00 0.00 56.10 56.21 2wh4 s TRP 252 Cb 0.00 -2.69 -0.07 0.00 -1.16 0.00 0.00 33.47 29.54 2wh4 s TRP 252 CO 0.00 -0.15 1.11 -0.65 -4.06 0.00 0.00 176.95 173.20 2wh4 s GLN 253 N -3.55 3.70 -0.09 3.25 -0.21 -1.26 -1.71 119.66 119.80 2wh4 s GLN 253 Ca 0.57 1.59 0.13 0.00 0.02 0.00 0.00 55.36 57.67 2wh4 s GLN 253 Cb -0.10 -2.23 0.23 0.00 1.00 0.00 0.00 33.01 31.92 2wh4 s GLN 253 CO 0.23 -0.56 1.11 -2.37 -2.12 0.00 0.00 175.29 171.58 2wh4 n THR 254 N -0.80 1.15 -3.19 -0.19 5.66 -1.08 -4.58 114.28 111.25 2wh4 n THR 254 Ca 0.09 -1.56 -0.27 0.00 -3.05 0.00 0.00 64.05 59.26 2wh4 n THR 254 Cb 0.50 0.11 -0.06 0.00 -1.55 0.00 0.00 70.33 69.34 2wh4 n THR 254 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2wh4 n LYS 255 N -0.75 2.89 0.00 1.09 4.76 -1.26 -4.80 118.16 120.08 2wh4 n LYS 255 Ca 0.10 -4.77 0.00 0.00 -2.87 0.00 0.00 58.31 50.77 2wh4 n LYS 255 Cb 0.71 -2.25 0.00 0.00 -1.84 0.00 0.00 35.03 31.65 2wh4 n LYS 255 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2wh4 n GLY 256 N 0.32 0.63 3.68 0.72 0.00 -1.26 -5.07 105.19 104.21 2wh4 n GLY 256 Ca 0.31 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.90 2wh4 n GLY 256 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wh4 s LEU 257 N 0.00 4.30 0.20 0.99 0.20 -1.26 -4.97 118.68 118.14 2wh4 s LEU 257 Ca 0.00 2.06 -0.30 0.00 0.69 0.00 0.00 54.13 56.58 2wh4 s LEU 257 Cb 0.00 -3.56 -0.08 0.00 -0.43 0.00 0.00 46.19 42.12 2wh4 s LEU 257 CO 0.00 -0.73 0.94 -0.54 -0.29 0.00 0.00 176.35 175.73 2wh4 s LYS 258 N 2.63 4.81 -0.41 1.98 1.02 -1.26 -4.96 119.74 123.54 2wh4 s LYS 258 Ca 0.63 1.47 0.02 0.00 0.02 0.00 0.00 55.97 58.11 2wh4 s LYS 258 Cb -0.30 -3.30 0.15 0.00 -0.52 0.00 0.00 37.83 33.85 2wh4 s LYS 258 CO 0.25 0.45 0.27 -0.08 -0.92 0.00 0.00 175.35 175.32 2wh4 s THR 259 N -0.88 0.69 -0.28 2.17 -1.32 -1.26 -5.03 115.64 109.73 2wh4 s THR 259 Ca 0.42 -2.33 0.01 0.00 -1.21 0.00 0.00 61.69 58.58 2wh4 s THR 259 Cb -0.25 -1.49 0.16 0.00 -1.51 0.00 0.00 72.50 69.41 2wh4 s THR 259 CO 0.31 -1.03 0.42 -0.60 -2.21 0.00 0.00 174.62 171.51 2wh4 s ARG 260 N 0.46 0.41 -0.50 7.08 3.52 -1.26 -5.08 118.95 123.58 2wh4 s ARG 260 Ca 0.22 0.27 -0.42 0.00 -0.13 0.00 0.00 55.73 55.66 2wh4 s ARG 260 Cb -0.15 -0.28 -0.18 0.00 -1.56 0.00 0.00 34.95 32.78 2wh4 s ARG 260 CO -0.06 -0.94 2.17 0.36 -0.81 0.00 0.00 175.30 176.02 2wh4 n LYS 261 N 5.36 0.13 -0.03 5.12 2.85 -1.26 -4.78 118.16 125.55 2wh4 n LYS 261 Ca -0.00 0.04 -0.01 0.00 -1.05 0.00 0.00 58.31 57.28 2wh4 n LYS 261 Cb 0.50 -1.62 -0.01 0.00 -0.65 0.00 0.00 35.03 33.25 2wh4 n LYS 261 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 2wh4 h ARG 262 N 9.56 -0.02 -1.81 -1.58 3.08 -2.00 -2.64 114.38 118.98 2wh4 h ARG 262 Ca -0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2wh4 h ARG 262 Cb 1.40 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.46 2wh4 h ARG 262 CO 1.09 -0.01 0.00 2.89 -1.07 0.00 0.00 179.97 182.87 2wh4 n ARG 263 N -3.12 0.23 -2.42 0.04 1.85 -1.26 -4.81 116.66 107.17 2wh4 n ARG 263 Ca -0.00 0.00 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 2wh4 n ARG 263 Cb 0.03 -1.39 -0.04 0.00 -1.05 0.00 0.00 32.46 30.02 2wh4 n ARG 263 CO 0.00 0.00 0.00 0.21 -0.01 0.00 0.00 177.63 177.83 2wh4 s LYS 264 N 0.89 4.58 0.28 2.89 2.20 -1.00 -4.94 119.74 124.64 2wh4 s LYS 264 Ca 0.00 1.87 -0.01 0.00 -0.36 0.00 0.00 55.97 57.47 2wh4 s LYS 264 Cb 0.00 -3.15 0.46 0.00 -1.51 0.00 0.00 37.83 33.63 2wh4 s LYS 264 CO 0.00 0.14 1.88 -1.00 -0.36 0.00 0.00 175.35 176.01 2wh4 h PRO 265 N 3.71 1.08 -1.01 4.03 0.13 -1.92 -2.22 132.00 135.81 2wh4 h PRO 265 Ca -0.47 -0.07 0.13 0.00 -0.87 0.00 0.00 66.00 64.72 2wh4 h PRO 265 Cb 1.21 -0.24 -0.09 0.00 0.13 0.00 0.00 31.00 32.01 2wh4 h PRO 265 CO 0.67 0.72 0.63 0.77 -0.23 0.00 0.00 178.00 180.55 2wh4 h SER 266 N 1.12 0.92 -0.49 1.44 0.02 -1.95 -3.19 113.55 111.41 2wh4 h SER 266 Ca 0.43 0.05 0.17 0.00 -0.84 0.00 0.00 61.79 61.61 2wh4 h SER 266 Cb 0.22 -0.13 -0.05 0.00 0.14 0.00 0.00 62.40 62.58 2wh4 h SER 266 CO -0.18 0.47 0.31 -0.24 -1.14 0.00 0.00 176.83 176.06 2wh4 n SER 267 N -4.63 0.09 -2.01 3.07 2.88 -0.84 0.16 113.62 112.34 2wh4 n SER 267 Ca 0.19 0.53 -0.17 0.00 -1.33 0.00 0.00 58.87 58.09 2wh4 n SER 267 Cb 0.38 -0.26 0.18 0.00 -0.75 0.00 0.00 64.21 63.76 2wh4 n SER 267 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2wh4 n ARG 268 N -3.46 2.39 0.00 -1.46 1.85 -1.21 -3.69 116.66 111.08 2wh4 n ARG 268 Ca 0.15 -2.61 0.00 0.00 -1.00 0.00 0.00 57.85 54.39 2wh4 n ARG 268 Cb 0.57 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.94 2wh4 n ARG 268 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2wh4 n PHE 269 N -0.72 0.00 -3.84 2.89 3.01 0.12 -5.02 117.46 113.90 2wh4 n PHE 269 Ca 0.48 0.00 -0.22 0.00 1.01 0.00 0.00 57.45 58.72 2wh4 n PHE 269 Cb 1.45 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 40.88 2wh4 n PHE 269 CO 0.00 0.00 0.00 0.96 1.01 0.00 0.00 176.76 178.73 2wh4 s ILE 270 N -0.66 3.24 -0.29 4.37 -5.25 -1.24 -0.11 121.20 121.25 2wh4 s ILE 270 Ca 0.00 -1.45 0.04 0.00 -0.99 0.00 0.00 60.65 58.25 2wh4 s ILE 270 Cb 0.00 -3.10 0.19 0.00 2.95 0.00 0.00 42.46 42.50 2wh4 s ILE 270 CO 0.00 -0.14 0.56 -0.63 -1.79 0.00 0.00 174.94 172.94 2wh4 s ILE 271 N -2.37 -0.94 0.00 8.37 1.09 -0.08 -4.90 121.20 122.37 2wh4 s ILE 271 Ca 0.41 -0.04 0.00 0.00 -1.10 0.00 0.00 60.65 59.92 2wh4 s ILE 271 Cb -0.04 -0.99 0.00 0.00 -1.06 0.00 0.00 42.46 40.36 2wh4 s ILE 271 CO 0.26 -0.04 0.00 0.00 -0.10 0.00 0.00 174.94 175.06 2wh4 n ALA 272 N 5.41 0.00 0.00 9.38 0.00 -1.26 -1.73 120.51 132.31 2wh4 n ALA 272 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wh4 n ALA 272 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 2wh4 n ALA 272 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37