#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hwz s VAL 2 N 0.00 4.97 0.02 5.09 1.01 -1.26 -3.64 120.40 126.59 2hwz s VAL 2 Ca 0.00 1.65 -0.00 0.00 0.00 0.00 0.00 61.98 63.63 2hwz s VAL 2 Cb 0.00 -4.14 -0.02 0.00 0.00 0.00 0.00 36.38 32.23 2hwz s VAL 2 CO 0.00 0.19 -0.02 0.42 0.00 0.00 0.00 175.10 175.68 2hwz s THR 3 N 1.09 0.09 0.03 3.92 -4.23 0.33 -4.96 115.64 111.91 2hwz s THR 3 Ca 0.42 -0.78 0.04 0.00 -1.18 0.00 0.00 61.69 60.19 2hwz s THR 3 Cb -0.18 -0.23 -0.02 0.00 1.34 0.00 0.00 72.50 73.41 2hwz s THR 3 CO 0.20 -0.43 -0.11 -0.76 -0.54 0.00 0.00 174.62 172.98 2hwz s LEU 4 N -1.25 2.17 -0.06 4.79 2.01 -1.26 -1.27 118.68 123.81 2hwz s LEU 4 Ca -0.14 -0.42 -0.02 0.00 0.01 0.00 0.00 54.13 53.55 2hwz s LEU 4 Cb -0.09 -0.42 0.04 0.00 0.01 0.00 0.00 46.19 45.74 2hwz s LEU 4 CO -0.01 -0.03 0.12 -0.60 1.01 0.00 0.00 176.35 176.84 2hwz s ARG 5 N -1.10 0.01 0.05 1.70 3.52 0.11 -4.18 118.95 119.06 2hwz s ARG 5 Ca -0.02 0.42 -0.08 0.00 -0.13 0.00 0.00 55.73 55.92 2hwz s ARG 5 Cb -0.07 -0.29 -0.05 0.00 -1.56 0.00 0.00 34.95 32.97 2hwz s ARG 5 CO 0.01 -0.26 0.34 -1.21 -0.81 0.00 0.00 175.30 173.37 2hwz s GLU 6 N 1.81 3.68 0.01 5.12 8.01 -1.26 -0.87 118.70 135.19 2hwz s GLU 6 Ca -0.01 0.07 -0.15 0.00 0.01 0.00 0.00 54.97 54.89 2hwz s GLU 6 Cb -0.12 -3.04 0.02 0.00 -4.31 0.00 0.00 34.13 26.68 2hwz s GLU 6 CO -0.05 0.60 0.32 -1.54 0.01 0.00 0.00 175.26 174.60 2hwz s SER 7 N -1.72 -0.18 0.00 -0.19 1.04 -0.39 -4.71 113.70 107.56 2hwz s SER 7 Ca 0.30 0.00 0.00 0.00 0.48 0.00 0.00 55.95 56.74 2hwz s SER 7 Cb -0.14 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.32 2hwz s SER 7 CO 0.17 -0.51 0.00 0.61 0.98 0.00 0.00 173.24 174.49 2hwz n GLY 8 N 1.02 -0.95 3.77 7.32 0.00 -1.26 -1.16 105.19 113.92 2hwz n GLY 8 Ca -0.20 -1.17 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 2hwz n GLY 8 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2hwz s PRO 9 N -2.00 3.17 0.27 1.61 0.04 -1.26 -4.94 135.00 131.88 2hwz s PRO 9 Ca 0.00 1.66 0.24 0.00 0.04 0.00 0.00 61.00 62.94 2hwz s PRO 9 Cb 0.00 -1.97 0.34 0.00 0.04 0.00 0.00 34.50 32.90 2hwz s PRO 9 CO 0.00 -1.01 1.43 0.00 0.04 0.00 0.00 177.00 177.46 2hwz h ALA 10 N 0.97 0.78 -3.82 8.56 0.00 -1.90 -3.44 119.26 120.41 2hwz h ALA 10 Ca -0.50 0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.12 2hwz h ALA 10 Cb 1.27 0.00 -0.29 0.00 0.00 0.00 0.00 17.79 18.77 2hwz h ALA 10 CO 0.56 0.00 -0.74 -1.17 0.00 0.00 0.00 179.25 177.90 2hwz s LEU 11 N -5.25 1.94 0.03 0.00 0.20 -1.26 -0.98 118.68 113.36 2hwz s LEU 11 Ca 0.05 -0.06 0.01 0.00 0.69 0.00 0.00 54.13 54.82 2hwz s LEU 11 Cb 0.09 -0.18 -0.02 0.00 -0.43 0.00 0.00 46.19 45.65 2hwz s LEU 11 CO 0.70 0.03 -0.05 0.54 -0.29 0.00 0.00 176.35 177.28 2hwz s VAL 12 N 0.01 0.28 0.18 1.68 0.11 0.05 -4.93 120.40 117.78 2hwz s VAL 12 Ca 0.00 -0.88 -0.10 0.00 -2.93 0.00 0.00 61.98 58.08 2hwz s VAL 12 Cb -0.02 -0.38 -0.07 0.00 -1.53 0.00 0.00 36.38 34.38 2hwz s VAL 12 CO -0.00 -0.39 0.50 -0.54 -3.33 0.00 0.00 175.10 171.34 2hwz s LYS 13 N -1.34 3.80 0.37 1.54 1.02 -1.26 -1.06 119.74 122.81 2hwz s LYS 13 Ca -0.12 0.24 -0.24 0.00 0.02 0.00 0.00 55.97 55.87 2hwz s LYS 13 Cb -0.09 -2.78 -0.13 0.00 -0.52 0.00 0.00 37.83 34.31 2hwz s LYS 13 CO -0.00 0.40 0.71 -2.30 -0.92 0.00 0.00 175.35 173.23 2hwz n PRO 14 N 0.20 0.78 0.00 -1.68 -0.02 -1.26 -1.39 135.00 131.63 2hwz n PRO 14 Ca -0.02 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 2hwz n PRO 14 Cb 0.52 -1.60 0.00 0.00 -0.02 0.00 0.00 33.50 32.40 2hwz n PRO 14 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2hwz n THR 15 N -0.49 0.00 -1.47 3.45 -2.24 0.20 -4.88 114.28 108.85 2hwz n THR 15 Ca 0.11 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.61 2hwz n THR 15 Cb 0.36 0.00 0.16 0.00 -2.10 0.00 0.00 70.33 68.75 2hwz n THR 15 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2hwz s GLN 16 N 0.00 0.76 -0.13 -0.78 -0.21 -0.49 -3.64 119.66 115.17 2hwz s GLN 16 Ca 0.00 0.23 -0.05 0.00 0.02 0.00 0.00 55.36 55.56 2hwz s GLN 16 Cb 0.00 -1.80 -0.04 0.00 1.00 0.00 0.00 33.01 32.17 2hwz s GLN 16 CO 0.00 -2.44 0.06 0.99 -2.12 0.00 0.00 175.29 171.77 2hwz s THR 17 N -3.25 4.78 -0.18 -0.19 2.01 -1.26 -0.44 115.64 117.11 2hwz s THR 17 Ca 0.65 -0.06 -0.09 0.00 0.31 0.00 0.00 61.69 62.51 2hwz s THR 17 Cb -0.14 -3.08 -0.05 0.00 0.01 0.00 0.00 72.50 69.24 2hwz s THR 17 CO 0.54 0.56 0.11 -0.22 -0.69 0.00 0.00 174.62 174.92 2hwz s LEU 18 N -0.45 4.14 -0.23 4.42 2.96 0.11 -4.95 118.68 124.68 2hwz s LEU 18 Ca 0.10 0.24 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 2hwz s LEU 18 Cb -0.12 -2.05 0.05 0.00 0.50 0.00 0.00 46.19 44.56 2hwz s LEU 18 CO 0.02 0.22 -0.14 -0.89 -1.32 0.00 0.00 176.35 174.24 2hwz s THR 19 N 0.11 2.18 -0.05 3.68 2.01 -1.26 -0.23 115.64 122.07 2hwz s THR 19 Ca 0.08 -1.38 -0.00 0.00 0.31 0.00 0.00 61.69 60.70 2hwz s THR 19 Cb -0.11 -2.16 -0.03 0.00 0.01 0.00 0.00 72.50 70.20 2hwz s THR 19 CO -0.01 0.17 0.01 -0.76 -0.69 0.00 0.00 174.62 173.34 2hwz s LEU 20 N 1.17 3.57 -0.06 4.42 1.43 0.53 -4.57 118.68 125.18 2hwz s LEU 20 Ca -0.04 0.09 0.05 0.00 -1.03 0.00 0.00 54.13 53.20 2hwz s LEU 20 Cb -0.18 -1.92 -0.01 0.00 0.03 0.00 0.00 46.19 44.12 2hwz s LEU 20 CO -0.08 0.34 -0.23 -0.89 0.23 0.00 0.00 176.35 175.72 2hwz s THR 21 N -0.98 1.89 -0.31 5.49 2.01 -0.31 -1.23 115.64 122.21 2hwz s THR 21 Ca 0.16 -0.96 -0.02 0.00 0.31 0.00 0.00 61.69 61.18 2hwz s THR 21 Cb -0.11 -1.62 0.06 0.00 0.01 0.00 0.00 72.50 70.83 2hwz s THR 21 CO 0.06 0.53 0.02 0.00 -0.69 0.00 0.00 174.62 174.54 2hwz s THR 23 N 1.24 4.99 0.35 0.00 2.01 -0.05 -0.88 115.64 123.29 2hwz s THR 23 Ca -0.04 0.04 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2hwz s THR 23 Cb -0.20 -3.28 -0.06 0.00 0.01 0.00 0.00 72.50 68.97 2hwz s THR 23 CO -0.01 0.42 0.07 0.72 -0.69 0.00 0.00 174.62 175.12 2hwz s PHE 24 N 0.62 1.94 0.23 4.92 -0.12 -0.52 0.09 117.98 125.14 2hwz s PHE 24 Ca 0.05 -1.01 -0.22 0.00 -0.05 0.00 0.00 56.93 55.70 2hwz s PHE 24 Cb -0.13 -1.28 0.04 0.00 -0.63 0.00 0.00 43.02 41.02 2hwz s PHE 24 CO 0.01 -0.03 0.71 -1.54 -0.05 0.00 0.00 175.22 174.32 2hwz s SER 25 N -3.52 -0.35 0.00 1.98 1.04 -0.39 -4.88 113.70 107.58 2hwz s SER 25 Ca 0.33 -0.40 0.00 0.00 0.48 0.00 0.00 55.95 56.36 2hwz s SER 25 Cb 0.08 0.67 0.00 0.00 0.10 0.00 0.00 66.02 66.86 2hwz s SER 25 CO 0.15 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.79 2hwz n GLY 26 N -0.43 0.72 3.68 7.32 0.00 -1.24 -0.51 105.19 114.73 2hwz n GLY 26 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 2hwz n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2hwz s PHE 27 N -2.73 -0.12 -0.04 1.61 -0.12 -1.26 -4.55 117.98 110.76 2hwz s PHE 27 Ca 0.00 -0.10 0.05 0.00 -0.05 0.00 0.00 56.93 56.84 2hwz s PHE 27 Cb 0.00 0.60 -0.01 0.00 -0.63 0.00 0.00 43.02 42.98 2hwz s PHE 27 CO 0.00 -0.61 -0.20 0.45 -0.05 0.00 0.00 175.22 174.81 2hwz s SER 27 N -2.88 2.45 0.00 1.98 0.15 -1.26 -5.00 113.70 109.15 2hwz s SER 27 Ca 0.12 -0.40 0.18 0.00 0.70 0.00 0.00 55.95 56.55 2hwz s SER 27 Cb 0.00 -0.62 1.08 0.00 -1.71 0.00 0.00 66.02 64.78 2hwz s SER 27 CO -0.01 0.19 1.51 -0.11 1.20 0.00 0.00 173.24 176.03 2hwz n LEU 27 N 3.01 0.00 0.06 3.45 0.00 -1.26 -1.80 117.00 120.46 2hwz n LEU 27 Ca -0.17 0.00 0.11 0.00 0.00 0.00 0.00 56.01 55.95 2hwz n LEU 27 Cb 0.53 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.91 2hwz n LEU 27 CO 0.25 0.00 -0.18 -1.20 0.00 0.00 0.00 177.39 176.25 2hwz n SER 28 N -0.91 0.58 -4.68 1.96 7.64 -1.26 -4.14 113.62 112.81 2hwz n SER 28 Ca 0.14 0.15 -0.42 0.00 1.01 0.00 0.00 58.87 59.74 2hwz n SER 28 Cb 0.06 0.91 -0.03 0.00 -1.01 0.00 0.00 64.21 64.15 2hwz n SER 28 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2hwz s THR 29 N -3.37 3.26 0.12 0.44 2.01 -0.74 -4.90 115.64 112.45 2hwz s THR 29 Ca -0.02 0.55 -0.34 0.00 0.31 0.00 0.00 61.69 62.19 2hwz s THR 29 Cb 0.12 -3.35 -0.17 0.00 0.01 0.00 0.00 72.50 69.10 2hwz s THR 29 CO 0.82 -0.02 1.00 -0.24 -0.69 0.00 0.00 174.62 175.49 2hwz n SER 30 N 6.32 0.37 0.00 3.53 2.88 -1.26 -1.09 113.62 124.37 2hwz n SER 30 Ca 0.17 1.14 0.00 0.00 -1.33 0.00 0.00 58.87 58.85 2hwz n SER 30 Cb 0.41 -1.07 0.00 0.00 -0.75 0.00 0.00 64.21 62.81 2hwz n SER 30 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2hwz n GLY 31 N 1.87 2.17 3.77 0.46 0.00 -1.26 -4.99 105.19 107.21 2hwz n GLY 31 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 2hwz n GLY 31 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2hwz s MET 32 N -0.29 4.42 0.00 1.61 -2.45 -0.25 -0.74 119.30 121.60 2hwz s MET 32 Ca 0.00 1.57 -0.15 0.00 -1.25 0.00 0.00 55.69 55.85 2hwz s MET 32 Cb 0.00 -2.82 0.02 0.00 1.25 0.00 0.00 34.83 33.28 2hwz s MET 32 CO 0.00 0.08 0.32 0.45 1.05 0.00 0.00 175.02 176.92 2hwz s SER 33 N -1.35 -0.19 -0.09 1.11 0.15 -0.60 -0.86 113.70 111.87 2hwz s SER 33 Ca 0.51 0.03 0.01 0.00 0.70 0.00 0.00 55.95 57.20 2hwz s SER 33 Cb -0.25 0.33 0.02 0.00 -1.71 0.00 0.00 66.02 64.42 2hwz s SER 33 CO 0.31 -0.50 -0.09 -0.69 1.20 0.00 0.00 173.24 173.47 2hwz s VAL 34 N -1.67 1.02 0.35 4.45 1.01 -0.91 -1.07 120.40 123.58 2hwz s VAL 34 Ca -0.11 -0.35 0.09 0.00 0.00 0.00 0.00 61.98 61.61 2hwz s VAL 34 Cb -0.04 -1.00 -0.06 0.00 0.00 0.00 0.00 36.38 35.29 2hwz s VAL 34 CO 0.02 0.35 0.01 -0.83 0.00 0.00 0.00 175.10 174.66 2hwz s GLY 35 N 1.23 2.15 -0.06 4.51 0.00 0.33 -1.54 107.32 113.94 2hwz s GLY 35 Ca -0.04 -2.03 0.05 0.00 0.00 0.00 0.00 44.72 42.71 2hwz s GLY 35 CO -0.03 -1.94 -0.23 -0.98 0.00 0.00 0.00 173.10 169.92 2hwz s TRP 36 N -2.56 2.29 0.01 1.90 0.52 0.12 -0.60 118.94 120.62 2hwz s TRP 36 Ca 0.35 -0.71 0.03 0.00 0.02 0.00 0.00 56.10 55.79 2hwz s TRP 36 Cb 0.02 -1.52 -0.01 0.00 -1.15 0.00 0.00 33.47 30.81 2hwz s TRP 36 CO 0.19 -0.23 -0.09 0.42 0.02 0.00 0.00 176.95 177.26 2hwz s ILE 37 N -0.06 0.69 0.23 2.03 1.09 -0.02 -0.48 121.20 124.69 2hwz s ILE 37 Ca -0.05 -0.52 0.06 0.00 -1.10 0.00 0.00 60.65 59.04 2hwz s ILE 37 Cb -0.14 -0.61 -0.05 0.00 -1.06 0.00 0.00 42.46 40.60 2hwz s ILE 37 CO 0.04 0.09 -0.07 0.00 -0.10 0.00 0.00 174.94 174.90 2hwz s ARG 38 N -0.47 1.38 -0.24 2.79 1.70 -0.52 0.51 118.95 124.10 2hwz s ARG 38 Ca 0.01 -1.66 -0.03 0.00 -0.47 0.00 0.00 55.73 53.58 2hwz s ARG 38 Cb -0.05 -0.94 0.12 0.00 -0.57 0.00 0.00 34.95 33.51 2hwz s ARG 38 CO -0.00 0.05 0.32 -1.14 -1.08 0.00 0.00 175.30 173.44 2hwz s GLN 39 N -3.74 0.30 0.55 3.89 0.74 0.21 -0.99 119.66 120.61 2hwz s GLN 39 Ca 0.26 0.32 -0.20 0.00 0.05 0.00 0.00 55.36 55.79 2hwz s GLN 39 Cb 0.03 -0.74 -0.05 0.00 1.10 0.00 0.00 33.01 33.35 2hwz s GLN 39 CO 0.08 -0.71 1.22 -2.14 -0.55 0.00 0.00 175.29 173.19 2hwz s PRO 40 N 2.45 3.19 0.05 1.67 0.02 -1.26 -1.58 135.00 139.54 2hwz s PRO 40 Ca 0.10 1.88 -0.37 0.00 0.02 0.00 0.00 61.00 62.63 2hwz s PRO 40 Cb -0.15 -2.09 -0.16 0.00 0.02 0.00 0.00 34.50 32.12 2hwz s PRO 40 CO -0.17 -1.05 1.43 -2.30 -0.33 0.00 0.00 177.00 174.59 2hwz n PRO 41 N -1.24 1.32 -1.21 5.54 -0.02 -1.26 -0.89 135.00 137.23 2hwz n PRO 41 Ca 0.12 0.48 -0.07 0.00 -2.02 0.00 0.00 63.50 62.00 2hwz n PRO 41 Cb 0.48 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 2hwz n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hwz n GLY 42 N 2.88 0.83 3.68 -1.23 0.00 -1.26 -4.99 105.19 105.10 2hwz n GLY 42 Ca 0.19 -0.20 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2hwz n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2hwz s LYS 43 N -2.27 2.07 0.81 1.61 1.02 -0.07 -5.15 119.74 117.76 2hwz s LYS 43 Ca 0.00 -2.26 -0.12 0.00 0.02 0.00 0.00 55.97 53.61 2hwz s LYS 43 Cb 0.00 -1.44 0.08 0.00 -0.52 0.00 0.00 37.83 35.95 2hwz s LYS 43 CO 0.00 -0.27 1.15 0.00 -0.92 0.00 0.00 175.35 175.31 2hwz s ALA 44 N -2.88 2.49 0.46 5.17 0.00 -1.26 -4.59 121.76 121.14 2hwz s ALA 44 Ca 0.18 -0.54 -0.23 0.00 0.00 0.00 0.00 51.96 51.38 2hwz s ALA 44 Cb 0.05 -3.00 -0.07 0.00 0.00 0.00 0.00 23.12 20.10 2hwz s ALA 44 CO 0.09 -1.71 1.17 -0.51 0.00 0.00 0.00 175.76 174.80 2hwz s LEU 45 N -5.65 4.01 -0.07 0.00 1.43 -1.26 -4.42 118.68 112.72 2hwz s LEU 45 Ca 0.62 2.31 -0.01 0.00 -1.03 0.00 0.00 54.13 56.01 2hwz s LEU 45 Cb -0.12 -4.24 0.03 0.00 0.03 0.00 0.00 46.19 41.88 2hwz s LEU 45 CO 0.51 -0.93 -0.01 -0.70 0.23 0.00 0.00 176.35 175.45 2hwz s GLU 46 N -2.71 0.69 0.22 1.70 2.12 -0.16 -4.99 118.70 115.57 2hwz s GLU 46 Ca 0.64 0.07 -0.30 0.00 0.36 0.00 0.00 54.97 55.74 2hwz s GLU 46 Cb -0.29 -1.01 -0.09 0.00 0.26 0.00 0.00 34.13 33.01 2hwz s GLU 46 CO 0.35 -0.29 1.26 -0.46 -0.54 0.00 0.00 175.26 175.58 2hwz s TRP 47 N 1.88 3.30 -0.15 5.30 -0.00 -1.26 -1.44 118.94 126.57 2hwz s TRP 47 Ca 0.04 1.34 -0.10 0.00 -0.00 0.00 0.00 56.10 57.37 2hwz s TRP 47 Cb -0.12 -3.54 -0.06 0.00 -0.00 0.00 0.00 33.47 29.74 2hwz s TRP 47 CO -0.05 -1.59 -0.23 1.28 -0.00 0.00 0.00 176.95 176.35 2hwz n LEU 48 N 2.24 1.42 -3.62 5.86 4.32 0.37 -4.70 117.00 122.89 2hwz n LEU 48 Ca 0.04 0.24 0.01 0.00 -0.02 0.00 0.00 56.01 56.28 2hwz n LEU 48 Cb 0.43 -0.56 -0.01 0.00 -1.62 0.00 0.00 43.42 41.67 2hwz n LEU 48 CO 0.57 0.08 1.04 0.00 -1.22 0.00 0.00 177.39 177.87 2hwz s ALA 49 N -2.43 -2.21 0.16 -1.18 0.00 -1.15 -0.83 121.76 114.13 2hwz s ALA 49 Ca -0.23 0.69 -0.14 0.00 0.00 0.00 0.00 51.96 52.28 2hwz s ALA 49 Cb 0.07 0.36 0.02 0.00 0.00 0.00 0.00 23.12 23.57 2hwz s ALA 49 CO 0.31 -1.04 0.41 0.16 0.00 0.00 0.00 175.76 175.59 2hwz s ASP 50 N -2.96 -0.15 -0.02 0.00 1.47 -0.63 0.11 116.67 114.51 2hwz s ASP 50 Ca 0.14 -0.56 0.00 0.00 1.18 0.00 0.00 52.55 53.32 2hwz s ASP 50 Cb 0.04 0.50 0.02 0.00 -0.34 0.00 0.00 42.92 43.14 2hwz s ASP 50 CO -0.04 -0.94 -0.00 -0.51 0.68 0.00 0.00 175.17 174.36 2hwz s ILE 51 N -3.88 0.11 0.52 2.11 2.07 -0.59 -1.07 121.20 120.47 2hwz s ILE 51 Ca 0.09 0.04 -0.02 0.00 -1.41 0.00 0.00 60.65 59.36 2hwz s ILE 51 Cb 0.01 -0.17 0.01 0.00 0.13 0.00 0.00 42.46 42.44 2hwz s ILE 51 CO -0.05 0.09 0.77 0.26 -1.91 0.00 0.00 174.94 174.10 2hwz s TRP 52 N 0.58 3.20 0.54 3.50 0.52 0.12 -2.15 118.94 125.25 2hwz s TRP 52 Ca -0.05 0.37 0.24 0.00 0.02 0.00 0.00 56.10 56.68 2hwz s TRP 52 Cb -0.08 -2.53 1.41 0.00 -1.15 0.00 0.00 33.47 31.12 2hwz s TRP 52 CO -0.01 -0.60 2.04 0.11 0.02 0.00 0.00 176.95 178.51 2hwz h TRP 53 N 0.13 0.00 -0.41 -1.98 0.09 -1.16 0.16 115.95 112.79 2hwz h TRP 53 Ca -0.45 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.53 2hwz h TRP 53 Cb 1.26 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.50 2hwz h TRP 53 CO 0.45 0.00 0.00 -0.40 0.09 0.00 0.00 178.44 178.58 2hwz n ASP 54 N -4.31 2.74 0.00 0.11 5.68 -1.26 -4.75 116.55 114.75 2hwz n ASP 54 Ca 0.06 -2.15 0.00 0.00 -0.50 0.00 0.00 54.79 52.20 2hwz n ASP 54 Cb 0.47 -0.38 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 2hwz n ASP 54 CO 0.00 0.00 0.00 -0.67 -1.33 0.00 0.00 177.20 175.20 2hwz n ASP 55 N 0.66 -2.82 -4.73 -1.12 4.64 0.57 -5.01 116.55 108.75 2hwz n ASP 55 Ca 0.15 0.00 -0.42 0.00 -1.38 0.00 0.00 54.79 53.14 2hwz n ASP 55 Cb 0.49 -0.80 -0.03 0.00 -1.04 0.00 0.00 41.12 39.74 2hwz n ASP 55 CO 0.00 0.00 0.00 -0.75 -0.82 0.00 0.00 177.20 175.63 2hwz s LYS 56 N -0.24 4.37 -0.05 -0.67 2.20 -1.25 -4.72 119.74 119.37 2hwz s LYS 56 Ca 0.00 2.02 0.03 0.00 -0.36 0.00 0.00 55.97 57.66 2hwz s LYS 56 Cb 0.00 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 33.05 2hwz s LYS 56 CO 0.00 -0.32 -0.11 0.15 -0.36 0.00 0.00 175.35 174.71 2hwz s LYS 57 N 0.54 2.57 0.02 4.03 1.02 -1.26 0.13 119.74 126.79 2hwz s LYS 57 Ca 0.60 -0.66 0.04 0.00 0.02 0.00 0.00 55.97 55.98 2hwz s LYS 57 Cb -0.36 -2.46 -0.02 0.00 -0.52 0.00 0.00 37.83 34.48 2hwz s LYS 57 CO 0.34 0.63 -0.13 0.34 -0.92 0.00 0.00 175.35 175.60 2hwz s ASP 58 N -0.87 1.58 0.04 2.83 3.68 -0.23 -4.99 116.67 118.70 2hwz s ASP 58 Ca 0.13 -0.36 0.02 0.00 2.13 0.00 0.00 52.55 54.47 2hwz s ASP 58 Cb -0.11 -0.13 -0.02 0.00 -1.45 0.00 0.00 42.92 41.21 2hwz s ASP 58 CO 0.02 0.09 -0.08 -0.31 0.13 0.00 0.00 175.17 175.02 2hwz s TYR 59 N -0.61 0.66 0.04 -5.34 2.02 -1.26 -1.60 117.35 111.26 2hwz s TYR 59 Ca 0.03 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 2hwz s TYR 59 Cb -0.07 -0.40 -0.07 0.00 -0.40 0.00 0.00 41.96 41.03 2hwz s TYR 59 CO 0.00 -0.08 1.52 1.21 -1.57 0.00 0.00 175.55 176.64 2hwz s ASN 60 N -1.49 6.73 0.22 2.29 3.84 -0.01 -4.82 114.94 121.69 2hwz s ASN 60 Ca -0.09 2.30 -0.08 0.00 0.21 0.00 0.00 52.86 55.20 2hwz s ASN 60 Cb -0.10 -2.56 0.29 0.00 -0.55 0.00 0.00 41.25 38.33 2hwz s ASN 60 CO 0.00 -0.80 1.78 -0.65 -2.79 0.00 0.00 177.10 174.65 2hwz h PRO 61 N 7.99 0.56 -0.29 0.43 0.11 -1.95 1.14 132.00 139.99 2hwz h PRO 61 Ca -0.40 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.71 2hwz h PRO 61 Cb 1.19 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.16 2hwz h PRO 61 CO 0.91 0.37 0.20 0.77 -0.21 0.00 0.00 178.00 180.04 2hwz h SER 62 N 0.58 0.20 0.00 -2.05 0.02 -1.99 -3.13 113.55 107.17 2hwz h SER 62 Ca 0.32 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.27 2hwz h SER 62 Cb 0.32 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 62.81 2hwz h SER 62 CO -0.25 0.14 -0.70 0.18 -1.14 0.00 0.00 176.83 175.06 2hwz n LEU 63 N -4.49 0.32 -0.25 5.07 4.32 -0.81 -4.82 117.00 116.34 2hwz n LEU 63 Ca 0.03 -0.37 0.10 0.00 -0.02 0.00 0.00 56.01 55.75 2hwz n LEU 63 Cb 0.20 0.00 0.20 0.00 -1.62 0.00 0.00 43.42 42.20 2hwz n LEU 63 CO 0.35 0.08 0.56 1.17 -1.22 0.00 0.00 177.39 178.33 2hwz n LYS 64 N -1.38 -0.06 -0.20 3.23 4.81 0.39 -0.20 118.16 124.75 2hwz n LYS 64 Ca 0.01 1.10 0.18 0.00 -0.87 0.00 0.00 58.31 58.73 2hwz n LYS 64 Cb 0.17 -1.73 0.52 0.00 0.02 0.00 0.00 35.03 34.01 2hwz n LYS 64 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2hwz h SER 65 N 0.00 0.38 0.06 3.14 4.64 -1.86 -2.25 113.55 117.67 2hwz h SER 65 Ca 0.43 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.78 2hwz h SER 65 Cb 0.85 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.90 2hwz h SER 65 CO -0.70 0.17 -0.62 0.54 -0.87 0.00 0.00 176.83 175.36 2hwz n ARG 66 N -4.48 0.68 -4.12 4.77 1.74 0.72 -4.95 116.66 111.02 2hwz n ARG 66 Ca 0.17 -0.54 -0.35 0.00 -0.77 0.00 0.00 57.85 56.37 2hwz n ARG 66 Cb 0.63 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.46 30.51 2hwz n ARG 66 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2hwz s LEU 67 N -2.69 3.95 -0.11 0.55 1.02 -0.85 -0.98 118.68 119.58 2hwz s LEU 67 Ca 0.15 0.24 -0.04 0.00 0.02 0.00 0.00 54.13 54.51 2hwz s LEU 67 Cb 0.18 -2.10 0.05 0.00 0.02 0.00 0.00 46.19 44.34 2hwz s LEU 67 CO 0.67 0.34 0.15 -0.89 0.02 0.00 0.00 176.35 176.64 2hwz s THR 68 N -1.06 -0.23 -0.03 5.49 2.01 -0.70 -4.95 115.64 116.16 2hwz s THR 68 Ca 0.18 0.22 0.02 0.00 0.31 0.00 0.00 61.69 62.43 2hwz s THR 68 Cb -0.12 -0.37 -0.03 0.00 0.01 0.00 0.00 72.50 71.99 2hwz s THR 68 CO 0.08 0.04 -0.08 -0.51 -0.69 0.00 0.00 174.62 173.46 2hwz s ILE 69 N 2.26 3.54 0.19 1.82 2.07 -1.26 -0.96 121.20 128.86 2hwz s ILE 69 Ca 0.04 -0.66 -0.16 0.00 -1.41 0.00 0.00 60.65 58.46 2hwz s ILE 69 Cb -0.13 -2.48 0.02 0.00 0.13 0.00 0.00 42.46 40.00 2hwz s ILE 69 CO -0.07 0.51 0.48 -0.94 -1.91 0.00 0.00 174.94 173.01 2hwz s SER 70 N -1.06 -0.21 0.13 4.50 1.04 -0.47 -4.98 113.70 112.66 2hwz s SER 70 Ca 0.14 -0.54 -0.00 0.00 0.48 0.00 0.00 55.95 56.03 2hwz s SER 70 Cb -0.11 0.55 -0.04 0.00 0.10 0.00 0.00 66.02 66.52 2hwz s SER 70 CO 0.04 -1.02 0.03 -1.59 0.98 0.00 0.00 173.24 171.68 2hwz s LYS 71 N -3.89 0.95 -0.38 4.02 -2.85 -1.26 0.11 119.74 116.43 2hwz s LYS 71 Ca 0.10 -1.44 0.02 0.00 -1.00 0.00 0.00 55.97 53.65 2hwz s LYS 71 Cb -0.00 0.10 0.16 0.00 -2.06 0.00 0.00 37.83 36.02 2hwz s LYS 71 CO -0.03 -0.21 0.33 0.34 0.10 0.00 0.00 175.35 175.88 2hwz s ASP 72 N -3.07 1.75 0.34 0.03 3.68 0.26 -4.99 116.67 114.67 2hwz s ASP 72 Ca 0.22 -2.22 0.09 0.00 2.13 0.00 0.00 52.55 52.77 2hwz s ASP 72 Cb 0.07 0.02 0.82 0.00 -1.45 0.00 0.00 42.92 42.38 2hwz s ASP 72 CO 0.01 -0.24 1.83 0.74 0.13 0.00 0.00 175.17 177.64 2hwz h THR 73 N 4.91 0.76 -0.79 1.71 2.02 -1.96 0.59 112.91 120.15 2hwz h THR 73 Ca 0.11 -0.24 0.11 0.00 0.77 0.00 0.00 66.41 67.17 2hwz h THR 73 Cb 0.99 0.01 -0.06 0.00 -1.74 0.00 0.00 68.15 67.35 2hwz h THR 73 CO 0.26 0.13 0.52 0.28 0.37 0.00 0.00 175.52 177.07 2hwz h SER 74 N 0.69 0.58 -0.21 4.18 0.02 -1.94 -0.54 113.55 116.33 2hwz h SER 74 Ca 0.51 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.48 2hwz h SER 74 Cb 0.88 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.32 2hwz h SER 74 CO -0.27 0.33 0.00 0.00 -1.14 0.00 0.00 176.83 175.75 2hwz n ALA 75 N -2.46 2.41 -3.80 3.77 0.00 0.17 -4.99 120.51 115.60 2hwz n ALA 75 Ca 0.14 -0.85 -0.26 0.00 0.00 0.00 0.00 53.44 52.48 2hwz n ALA 75 Cb 0.39 -0.66 0.03 0.00 0.00 0.00 0.00 19.45 19.21 2hwz n ALA 75 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2hwz n ASN 76 N 1.09 -3.01 -3.85 0.00 4.13 0.93 -4.87 115.26 109.68 2hwz n ASN 76 Ca 0.14 -0.80 -0.12 0.00 1.68 0.00 0.00 54.58 55.49 2hwz n ASN 76 Cb 0.49 -3.99 -0.10 0.00 -1.54 0.00 0.00 39.78 34.65 2hwz n ASN 76 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2hwz s GLN 77 N -6.30 0.48 0.00 3.52 -2.07 -1.09 -1.43 119.66 112.76 2hwz s GLN 77 Ca 0.33 -0.31 0.08 0.00 -1.82 0.00 0.00 55.36 53.64 2hwz s GLN 77 Cb -0.16 0.20 -0.02 0.00 -1.09 0.00 0.00 33.01 31.93 2hwz s GLN 77 CO 0.82 -0.11 -0.25 0.08 -1.32 0.00 0.00 175.29 174.51 2hwz s VAL 78 N -1.24 2.22 -0.01 3.63 1.01 -0.06 -0.58 120.40 125.37 2hwz s VAL 78 Ca -0.13 -1.16 0.07 0.00 0.00 0.00 0.00 61.98 60.75 2hwz s VAL 78 Cb -0.07 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.48 2hwz s VAL 78 CO 0.02 0.50 -0.21 -0.69 0.00 0.00 0.00 175.10 174.72 2hwz s VAL 79 N -0.70 1.69 -0.10 2.92 1.01 0.12 -0.00 120.40 125.33 2hwz s VAL 79 Ca 0.11 -0.94 0.02 0.00 0.00 0.00 0.00 61.98 61.17 2hwz s VAL 79 Cb -0.10 -1.41 0.01 0.00 0.00 0.00 0.00 36.38 34.88 2hwz s VAL 79 CO 0.00 0.46 -0.16 -0.22 0.00 0.00 0.00 175.10 175.19 2hwz s LEU 80 N -0.55 1.75 -0.17 3.92 0.20 -0.36 -1.37 118.68 122.09 2hwz s LEU 80 Ca 0.08 -0.43 -0.01 0.00 0.69 0.00 0.00 54.13 54.47 2hwz s LEU 80 Cb -0.08 -1.09 -0.00 0.00 -0.43 0.00 0.00 46.19 44.58 2hwz s LEU 80 CO -0.01 0.03 -0.12 -0.54 -0.29 0.00 0.00 176.35 175.42 2hwz s LYS 81 N 0.89 3.27 -0.22 1.98 1.02 -0.14 -0.34 119.74 126.21 2hwz s LYS 81 Ca -0.08 -0.71 -0.02 0.00 0.02 0.00 0.00 55.97 55.18 2hwz s LYS 81 Cb -0.15 -2.73 0.01 0.00 -0.52 0.00 0.00 37.83 34.44 2hwz s LYS 81 CO -0.00 -0.03 -0.09 0.08 -0.92 0.00 0.00 175.35 174.39 2hwz s VAL 81 N 0.96 2.85 0.48 3.17 1.01 0.68 -1.71 120.40 127.83 2hwz s VAL 81 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 2hwz s VAL 81 Cb -0.15 -2.32 -0.00 0.00 0.00 0.00 0.00 36.38 33.91 2hwz s VAL 81 CO -0.01 0.39 0.72 0.42 0.00 0.00 0.00 175.10 176.62 2hwz s THR 81 N 1.38 4.03 -1.22 3.92 -4.23 -0.15 0.09 115.64 119.46 2hwz s THR 81 Ca 0.04 -0.35 -0.23 0.00 -1.18 0.00 0.00 61.69 59.97 2hwz s THR 81 Cb -0.15 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.20 2hwz s THR 81 CO -0.06 -0.40 0.67 -3.20 -0.54 0.00 0.00 174.62 171.08 2hwz n ASN 82 N -2.18 -3.97 -4.68 3.99 5.15 -1.07 -4.85 115.26 107.65 2hwz n ASN 82 Ca 0.02 -1.14 -0.44 0.00 -0.60 0.00 0.00 54.58 52.42 2hwz n ASN 82 Cb 0.57 -2.58 -0.02 0.00 -0.53 0.00 0.00 39.78 37.23 2hwz n ASN 82 CO 0.00 0.00 0.00 0.23 1.40 0.00 0.00 177.26 178.89 2hwz n MET 82 N -4.58 2.07 -4.39 1.20 2.81 0.42 -4.53 117.12 110.13 2hwz n MET 82 Ca -0.14 0.73 -0.24 0.00 -1.81 0.00 0.00 57.70 56.24 2hwz n MET 82 Cb 0.60 -2.35 -0.11 0.00 -0.71 0.00 0.00 33.22 30.64 2hwz n MET 82 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 2hwz s ASP 83 N 0.02 3.10 0.41 7.83 2.15 -1.26 0.60 116.67 129.53 2hwz s ASP 83 Ca 0.62 -0.88 0.17 0.00 0.43 0.00 0.00 52.55 52.90 2hwz s ASP 83 Cb -0.61 -0.21 1.08 0.00 -0.30 0.00 0.00 42.92 42.87 2hwz s ASP 83 CO 0.55 0.04 1.84 -0.65 -0.17 0.00 0.00 175.17 176.78 2hwz h PRO 84 N 3.15 0.41 0.00 4.34 0.11 -1.96 0.27 132.00 138.32 2hwz h PRO 84 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2hwz h PRO 84 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2hwz h PRO 84 CO 0.50 0.27 0.00 0.00 -0.21 0.00 0.00 178.00 178.56 2hwz n ALA 85 N -2.51 1.43 1.48 -0.75 0.00 -1.26 -1.39 120.51 117.51 2hwz n ALA 85 Ca 0.20 -0.03 0.14 0.00 0.00 0.00 0.00 53.44 53.75 2hwz n ALA 85 Cb 0.73 -1.14 0.52 0.00 0.00 0.00 0.00 19.45 19.56 2hwz n ALA 85 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2hwz n ASP 86 N -1.45 1.37 -4.68 0.00 10.43 0.95 -4.87 116.55 118.32 2hwz n ASP 86 Ca 0.02 -1.39 -0.42 0.00 2.57 0.00 0.00 54.79 55.57 2hwz n ASP 86 Cb 0.09 0.02 -0.03 0.00 1.84 0.00 0.00 41.12 43.04 2hwz n ASP 86 CO 0.00 0.00 0.00 -0.89 -1.07 0.00 0.00 177.20 175.24 2hwz s THR 87 N -2.07 3.04 -0.02 -3.53 2.01 -0.49 -4.86 115.64 109.72 2hwz s THR 87 Ca 0.37 0.32 -0.29 0.00 0.31 0.00 0.00 61.69 62.39 2hwz s THR 87 Cb 0.21 -3.20 0.11 0.00 0.01 0.00 0.00 72.50 69.62 2hwz s THR 87 CO 0.36 -0.01 1.29 0.00 -0.69 0.00 0.00 174.62 175.57 2hwz s ALA 88 N 3.42 -2.37 -0.21 7.40 0.00 -0.38 -4.35 121.76 125.27 2hwz s ALA 88 Ca 0.79 0.34 -0.11 0.00 0.00 0.00 0.00 51.96 52.98 2hwz s ALA 88 Cb -0.41 0.65 -0.05 0.00 0.00 0.00 0.00 23.12 23.31 2hwz s ALA 88 CO 0.35 -1.11 0.19 0.99 0.00 0.00 0.00 175.76 176.19 2hwz s THR 89 N -2.17 5.36 -0.15 0.00 2.01 -0.62 -1.02 115.64 119.04 2hwz s THR 89 Ca 0.23 0.30 -0.04 0.00 0.31 0.00 0.00 61.69 62.48 2hwz s THR 89 Cb 0.02 -3.53 -0.03 0.00 0.01 0.00 0.00 72.50 68.97 2hwz s THR 89 CO -0.02 0.38 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.95 2hwz s TYR 90 N 0.70 3.06 0.10 4.92 1.51 0.09 -0.62 117.35 127.10 2hwz s TYR 90 Ca 0.10 -0.22 0.10 0.00 -1.01 0.00 0.00 57.07 56.04 2hwz s TYR 90 Cb -0.13 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.73 2hwz s TYR 90 CO 0.02 0.02 -0.25 0.71 -1.11 0.00 0.00 175.55 174.94 2hwz s TYR 91 N 0.26 2.18 0.10 2.71 1.51 0.18 -1.24 117.35 123.06 2hwz s TYR 91 Ca -0.02 -0.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.74 2hwz s TYR 91 Cb -0.14 -1.22 -0.04 0.00 -0.11 0.00 0.00 41.96 40.46 2hwz s TYR 91 CO 0.03 0.25 -0.23 0.00 -1.11 0.00 0.00 175.55 174.48 2hwz s ALA 93 N -1.03 -0.30 0.05 0.00 0.00 0.23 -1.52 121.76 119.19 2hwz s ALA 93 Ca 0.15 -0.23 -0.16 0.00 0.00 0.00 0.00 51.96 51.72 2hwz s ALA 93 Cb -0.10 0.17 -0.06 0.00 0.00 0.00 0.00 23.12 23.12 2hwz s ALA 93 CO 0.06 -0.26 0.49 0.50 0.00 0.00 0.00 175.76 176.55 2hwz s ARG 94 N -1.84 4.03 0.10 0.00 3.00 -0.07 -0.51 118.95 123.67 2hwz s ARG 94 Ca -0.11 0.54 0.03 0.00 -1.00 0.00 0.00 55.73 55.20 2hwz s ARG 94 Cb -0.05 -3.19 -0.04 0.00 0.00 0.00 0.00 34.95 31.67 2hwz s ARG 94 CO -0.00 0.64 -0.10 -1.12 0.00 0.00 0.00 175.30 174.72 2hwz s SER 95 N -1.19 1.42 -0.30 -2.12 0.01 -0.23 -1.97 113.70 109.31 2hwz s SER 95 Ca 0.28 -0.85 0.01 0.00 1.31 0.00 0.00 55.95 56.70 2hwz s SER 95 Cb -0.18 0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.17 2hwz s SER 95 CO 0.16 -0.29 0.06 -0.04 0.41 0.00 0.00 173.24 173.54 2hwz s MET 96 N -2.97 1.06 0.18 12.44 -1.94 0.22 -1.56 119.30 126.73 2hwz s MET 96 Ca 0.07 -1.25 -0.33 0.00 -1.71 0.00 0.00 55.69 52.47 2hwz s MET 96 Cb -0.02 -2.42 -0.14 0.00 2.01 0.00 0.00 34.83 34.27 2hwz s MET 96 CO -0.01 -0.90 1.46 -0.89 -0.01 0.00 0.00 175.02 174.67 2hwz n ILE 97 N 4.67 0.42 -0.96 2.53 2.08 0.08 -0.38 119.36 127.80 2hwz n ILE 97 Ca -0.02 -0.10 0.00 0.00 0.56 0.00 0.00 62.75 63.18 2hwz n ILE 97 Cb 0.43 -1.38 0.00 0.00 -0.75 0.00 0.00 39.64 37.94 2hwz n ILE 97 CO 0.00 0.00 0.00 0.35 0.56 0.00 0.00 176.55 177.46 2hwz n THR 98 N 2.61 0.00 0.03 1.39 -2.24 -1.26 -4.81 114.28 110.00 2hwz n THR 98 Ca 0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.93 2hwz n THR 98 Cb 0.28 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 68.44 2hwz n THR 98 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2hwz n ASN 99 N -0.03 0.43 -3.54 3.42 3.02 0.06 -5.15 115.26 113.48 2hwz n ASN 99 Ca 0.00 0.09 -0.14 0.00 -0.03 0.00 0.00 54.58 54.50 2hwz n ASN 99 Cb 0.02 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.03 2hwz n ASN 99 CO 0.00 0.00 0.00 -1.66 -2.62 0.00 0.00 177.26 172.98 2hwz s TRP 100 N -1.46 -0.51 -0.03 3.10 -2.14 0.49 -5.01 118.94 113.39 2hwz s TRP 100 Ca 0.00 0.81 -0.10 0.00 2.66 0.00 0.00 56.10 59.47 2hwz s TRP 100 Cb 0.00 0.44 -0.05 0.00 -3.10 0.00 0.00 33.47 30.77 2hwz s TRP 100 CO 0.00 -0.51 0.29 0.71 -2.66 0.00 0.00 176.95 174.78 2hwz s TYR 100 N -1.45 3.64 -1.10 1.66 1.51 -1.26 -0.61 117.35 119.75 2hwz s TYR 100 Ca -0.05 0.73 -0.24 0.00 -1.01 0.00 0.00 57.07 56.50 2hwz s TYR 100 Cb -0.00 -2.10 0.03 0.00 -0.11 0.00 0.00 41.96 39.78 2hwz s TYR 100 CO 0.04 0.66 0.67 1.19 -1.11 0.00 0.00 175.55 177.00 2hwz n PHE 100 N 1.65 -1.62 0.17 2.71 0.99 -0.95 -4.88 117.46 115.53 2hwz n PHE 100 Ca -0.15 0.31 0.11 0.00 -0.00 0.00 0.00 57.45 57.73 2hwz n PHE 100 Cb 0.53 -2.83 0.10 0.00 -1.00 0.00 0.00 39.48 36.29 2hwz n PHE 100 CO 0.00 0.00 0.00 0.38 -0.00 0.00 0.00 176.76 177.14 2hwz h ASP 101 N -1.91 0.00 -3.46 4.37 -0.00 -1.67 -3.44 116.42 110.30 2hwz h ASP 101 Ca -0.68 0.00 -0.35 0.00 -0.00 0.00 0.00 57.03 56.00 2hwz h ASP 101 Cb 1.40 0.00 -0.35 0.00 -0.00 0.00 0.00 39.33 40.38 2hwz h ASP 101 CO 0.47 0.02 -0.74 -0.69 -0.00 0.00 0.00 179.24 178.30 2hwz s VAL 102 N -3.26 0.11 0.23 4.15 1.01 -1.25 -5.03 120.40 116.36 2hwz s VAL 102 Ca 0.04 0.16 0.11 0.00 0.00 0.00 0.00 61.98 62.28 2hwz s VAL 102 Cb 0.07 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.16 2hwz s VAL 102 CO 0.72 0.15 -0.15 0.26 0.00 0.00 0.00 175.10 176.08 2hwz s TRP 103 N 1.25 2.46 0.95 5.22 0.52 -1.26 -0.89 118.94 127.18 2hwz s TRP 103 Ca -0.07 -0.29 -0.16 0.00 0.02 0.00 0.00 56.10 55.60 2hwz s TRP 103 Cb -0.13 -1.14 0.22 0.00 -1.15 0.00 0.00 33.47 31.27 2hwz s TRP 103 CO -0.02 0.59 1.23 0.41 0.02 0.00 0.00 176.95 179.18 2hwz n GLY 104 N -0.26 -1.64 0.20 0.98 0.00 -0.58 -4.56 105.19 99.33 2hwz n GLY 104 Ca -0.09 -1.68 0.10 0.00 0.00 0.00 0.00 46.02 44.35 2hwz n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwz h ALA 105 N -1.91 0.93 0.00 4.61 0.00 -1.91 -3.46 119.26 117.52 2hwz h ALA 105 Ca -0.41 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2hwz h ALA 105 Cb 1.13 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2hwz h ALA 105 CO 0.28 0.15 0.00 0.41 0.00 0.00 0.00 179.25 180.09 2hwz n GLY 106 N 1.07 1.04 3.13 0.00 0.00 -1.26 -5.03 105.19 104.14 2hwz n GLY 106 Ca 0.03 -1.54 -0.26 0.00 0.00 0.00 0.00 46.02 44.25 2hwz n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2hwz s THR 107 N -1.69 1.43 -0.05 2.61 -1.32 -0.37 -4.90 115.64 111.35 2hwz s THR 107 Ca 0.00 -0.71 -0.26 0.00 -1.21 0.00 0.00 61.69 59.50 2hwz s THR 107 Cb 0.00 -1.23 -0.03 0.00 -1.51 0.00 0.00 72.50 69.73 2hwz s THR 107 CO 0.00 0.41 0.83 -0.89 -2.21 0.00 0.00 174.62 172.76 2hwz s THR 108 N 0.06 4.96 -0.10 5.08 2.01 -1.26 -0.73 115.64 125.66 2hwz s THR 108 Ca -0.04 1.72 0.02 0.00 0.31 0.00 0.00 61.69 63.70 2hwz s THR 108 Cb -0.12 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2hwz s THR 108 CO 0.02 0.19 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.28 2hwz s VAL 109 N 1.04 1.59 -0.11 3.82 1.01 -0.19 -4.46 120.40 123.10 2hwz s VAL 109 Ca 0.44 -0.72 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2hwz s VAL 109 Cb -0.19 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 2hwz s VAL 109 CO 0.21 0.46 -0.19 -0.89 0.00 0.00 0.00 175.10 174.69 2hwz s THR 110 N 0.73 2.46 -0.49 3.92 2.01 -0.15 -1.24 115.64 122.88 2hwz s THR 110 Ca -0.12 -0.87 -0.16 0.00 0.31 0.00 0.00 61.69 60.85 2hwz s THR 110 Cb -0.16 -1.98 0.08 0.00 0.01 0.00 0.00 72.50 70.45 2hwz s THR 110 CO 0.02 0.54 0.46 -0.69 -0.69 0.00 0.00 174.62 174.27 2hwz s VAL 111 N 0.37 5.16 0.05 3.82 1.01 -1.26 -0.77 120.40 128.78 2hwz s VAL 111 Ca -0.15 -1.05 -0.15 0.00 0.00 0.00 0.00 61.98 60.63 2hwz s VAL 111 Cb -0.17 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.03 2hwz s VAL 111 CO 0.07 -0.69 0.33 -0.55 0.00 0.00 0.00 175.10 174.26 2hwz s SER 112 N 2.83 -0.16 0.14 3.32 0.15 -0.22 -4.55 113.70 115.21 2hwz s SER 112 Ca 0.06 -0.18 0.24 0.00 0.70 0.00 0.00 55.95 56.77 2hwz s SER 112 Cb -0.24 0.38 0.35 0.00 -1.71 0.00 0.00 66.02 64.79 2hwz s SER 112 CO 0.07 -0.65 1.34 0.28 1.20 0.00 0.00 173.24 175.48 2hwz h SER 113 N 3.10 0.00 -4.21 5.45 0.02 -1.96 -3.37 113.55 112.58 2hwz h SER 113 Ca -0.32 -0.18 -0.50 0.00 -0.84 0.00 0.00 61.79 59.95 2hwz h SER 113 Cb 1.20 0.00 0.09 0.00 0.14 0.00 0.00 62.40 63.83 2hwz h SER 113 CO 0.46 0.09 0.37 0.00 -1.14 0.00 0.00 176.83 176.61 2hwz s ALA 114 N -3.18 2.60 0.41 3.77 0.00 -1.26 -5.04 121.76 119.06 2hwz s ALA 114 Ca 0.06 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.47 2hwz s ALA 114 Cb 0.13 -3.27 -0.02 0.00 0.00 0.00 0.00 23.12 19.96 2hwz s ALA 114 CO 0.72 -1.08 0.63 -1.54 0.00 0.00 0.00 175.76 174.48 2hwz s SER 115 N -2.76 6.04 0.33 0.00 1.04 -1.26 -5.05 113.70 112.04 2hwz s SER 115 Ca 0.65 0.37 -0.29 0.00 0.48 0.00 0.00 55.95 57.16 2hwz s SER 115 Cb -0.18 -1.76 -0.10 0.00 0.10 0.00 0.00 66.02 64.08 2hwz s SER 115 CO 0.41 -0.53 1.32 -0.89 0.98 0.00 0.00 173.24 174.52 2hwz s THR 116 N -2.47 2.69 -0.10 2.02 2.01 -1.26 -4.78 115.64 113.75 2hwz s THR 116 Ca 0.45 0.69 -0.05 0.00 0.31 0.00 0.00 61.69 63.09 2hwz s THR 116 Cb -0.10 -3.44 0.05 0.00 0.01 0.00 0.00 72.50 69.02 2hwz s THR 116 CO 0.37 0.16 0.23 -0.75 -0.69 0.00 0.00 174.62 173.95 2hwz s LYS 117 N -1.76 0.18 0.53 4.92 2.20 -0.18 -4.94 119.74 120.69 2hwz s LYS 117 Ca 0.49 0.53 -0.16 0.00 -0.36 0.00 0.00 55.97 56.47 2hwz s LYS 117 Cb -0.40 -0.13 -0.07 0.00 -1.51 0.00 0.00 37.83 35.72 2hwz s LYS 117 CO 0.53 -0.18 0.99 0.20 -0.36 0.00 0.00 175.35 176.53 2hwz s GLY 118 N 1.41 2.02 0.67 5.54 0.00 -1.26 -1.12 107.32 114.58 2hwz s GLY 118 Ca -0.08 0.16 -0.11 0.00 0.00 0.00 0.00 44.72 44.69 2hwz s GLY 118 CO -0.08 0.43 1.06 2.56 0.00 0.00 0.00 173.10 177.07 2hwz s PRO 119 N -4.19 3.18 0.06 2.90 0.04 -1.26 -4.49 135.00 131.24 2hwz s PRO 119 Ca 0.59 0.65 0.05 0.00 0.04 0.00 0.00 61.00 62.33 2hwz s PRO 119 Cb -0.10 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.36 2hwz s PRO 119 CO 0.34 -0.85 -0.09 -1.12 0.04 0.00 0.00 177.00 175.32 2hwz s SER 120 N -4.20 4.47 -0.07 6.66 0.01 -0.30 -4.95 113.70 115.32 2hwz s SER 120 Ca 0.57 -0.28 0.03 0.00 1.31 0.00 0.00 55.95 57.57 2hwz s SER 120 Cb -0.11 -0.93 0.01 0.00 0.21 0.00 0.00 66.02 65.19 2hwz s SER 120 CO 0.53 0.22 -0.15 -0.69 0.41 0.00 0.00 173.24 173.56 2hwz s VAL 121 N -1.11 1.38 0.06 3.43 1.01 -1.26 -1.44 120.40 122.46 2hwz s VAL 121 Ca 0.20 -0.62 0.07 0.00 0.00 0.00 0.00 61.98 61.62 2hwz s VAL 121 Cb -0.11 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.01 2hwz s VAL 121 CO 0.11 0.41 -0.19 -0.36 0.00 0.00 0.00 175.10 175.07 2hwz s PHE 122 N 0.56 1.62 0.39 5.22 0.08 0.18 -4.96 117.98 121.07 2hwz s PHE 122 Ca -0.15 -0.39 -0.24 0.00 0.12 0.00 0.00 56.93 56.28 2hwz s PHE 122 Cb -0.16 -0.94 -0.10 0.00 -0.57 0.00 0.00 43.02 41.25 2hwz s PHE 122 CO 0.05 0.10 1.00 -1.25 -0.10 0.00 0.00 175.22 175.03 2hwz s PRO 123 N -1.39 4.25 -0.78 0.24 0.04 -1.26 -0.23 135.00 135.86 2hwz s PRO 123 Ca 0.05 1.37 -0.02 0.00 0.04 0.00 0.00 61.00 62.45 2hwz s PRO 123 Cb -0.09 -2.49 0.19 0.00 0.04 0.00 0.00 34.50 32.16 2hwz s PRO 123 CO 0.02 -0.04 0.63 -0.51 0.04 0.00 0.00 177.00 177.14 2hwz s LEU 124 N -2.68 5.41 0.46 -3.56 1.43 0.36 -4.79 118.68 115.32 2hwz s LEU 124 Ca 0.58 -3.39 -0.25 0.00 -1.03 0.00 0.00 54.13 50.04 2hwz s LEU 124 Cb -0.18 -1.88 -0.08 0.00 0.03 0.00 0.00 46.19 44.09 2hwz s LEU 124 CO 0.23 -0.25 1.43 0.00 0.23 0.00 0.00 176.35 177.98 2hwz s ALA 125 N -0.85 3.19 0.04 4.21 0.00 -1.26 -1.59 121.76 125.50 2hwz s ALA 125 Ca 0.23 1.46 -0.30 0.00 0.00 0.00 0.00 51.96 53.35 2hwz s ALA 125 Cb -0.12 -3.59 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 2hwz s ALA 125 CO -0.09 -1.23 1.60 -1.25 0.00 0.00 0.00 175.76 174.78 2hwz s PRO 126 N -2.51 4.22 0.34 0.00 0.04 -1.26 -4.84 135.00 130.99 2hwz s PRO 126 Ca 0.62 2.23 0.25 0.00 0.04 0.00 0.00 61.00 64.15 2hwz s PRO 126 Cb -0.44 -3.63 1.20 0.00 0.04 0.00 0.00 34.50 31.67 2hwz s PRO 126 CO 0.56 -0.71 1.77 1.03 0.04 0.00 0.00 177.00 179.69 2hwz h SER 127 N 8.33 0.00 -2.91 6.66 0.87 -1.92 -3.42 113.55 121.15 2hwz h SER 127 Ca -0.41 0.00 -0.13 0.00 -1.23 0.00 0.00 61.79 60.02 2hwz h SER 127 Cb 1.19 0.00 0.04 0.00 -0.44 0.00 0.00 62.40 63.20 2hwz h SER 127 CO 0.93 0.00 0.10 -1.20 -0.53 0.00 0.00 176.83 176.12 2hwz n SER 128 N -2.39 0.13 0.00 6.23 7.64 -1.26 -4.99 113.62 118.97 2hwz n SER 128 Ca 0.00 -1.19 0.00 0.00 1.01 0.00 0.00 58.87 58.69 2hwz n SER 128 Cb 0.15 -0.26 0.00 0.00 -1.01 0.00 0.00 64.21 63.09 2hwz n SER 128 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2hwz n ALA 129 N -3.17 0.00 -1.91 -0.43 0.00 -1.26 -4.86 120.51 108.87 2hwz n ALA 129 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.10 2hwz n ALA 129 Cb 0.17 0.00 0.09 0.00 0.00 0.00 0.00 19.45 19.71 2hwz n ALA 129 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hwz s ALA 130 N -1.54 2.80 0.00 0.00 0.00 -1.26 -4.63 121.76 117.13 2hwz s ALA 130 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 51.96 51.19 2hwz s ALA 130 Cb 0.00 -2.83 0.00 0.00 0.00 0.00 0.00 23.12 20.29 2hwz s ALA 130 CO 0.00 -1.59 0.00 0.00 0.00 0.00 0.00 175.76 174.17 2hwz n ALA 131 N -3.21 0.00 -1.55 0.00 0.00 -1.26 -4.27 120.51 110.22 2hwz n ALA 131 Ca 0.08 -0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.30 2hwz n ALA 131 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.98 2hwz n ALA 131 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2hwz n ALA 132 N -1.78 0.53 -1.28 0.00 0.00 -1.26 -2.26 120.51 114.46 2hwz n ALA 132 Ca 0.00 -1.18 0.00 0.00 0.00 0.00 0.00 53.44 52.26 2hwz n ALA 132 Cb 0.00 -3.13 0.00 0.00 0.00 0.00 0.00 19.45 16.32 2hwz n ALA 132 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2hwz n GLY 133 N 6.47 0.58 7.00 0.00 0.00 -1.26 -5.05 105.19 112.93 2hwz n GLY 133 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.50 2hwz n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2hwz n GLY 134 N 0.00 1.45 3.20 -0.02 0.00 -1.26 -4.79 105.19 103.77 2hwz n GLY 134 Ca 0.00 0.16 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2hwz n GLY 134 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2hwz s THR 135 N 0.00 1.54 0.07 2.61 2.01 -1.26 -0.26 115.64 120.35 2hwz s THR 135 Ca 0.00 -0.85 0.09 0.00 0.31 0.00 0.00 61.69 61.24 2hwz s THR 135 Cb 0.00 -1.28 -0.03 0.00 0.01 0.00 0.00 72.50 71.20 2hwz s THR 135 CO 0.00 0.42 -0.25 0.00 -0.69 0.00 0.00 174.62 174.10 2hwz s ALA 136 N -0.48 2.13 -0.01 7.40 0.00 0.36 -4.78 121.76 126.38 2hwz s ALA 136 Ca 0.07 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 50.78 2hwz s ALA 136 Cb -0.08 -0.40 -0.03 0.00 0.00 0.00 0.00 23.12 22.62 2hwz s ALA 136 CO -0.01 0.49 -0.06 0.00 0.00 0.00 0.00 175.76 176.18 2hwz s ALA 137 N -0.91 3.05 0.20 0.00 0.00 -1.26 0.01 121.76 122.85 2hwz s ALA 137 Ca 0.11 -0.99 -0.09 0.00 0.00 0.00 0.00 51.96 50.99 2hwz s ALA 137 Cb -0.10 -1.18 -0.01 0.00 0.00 0.00 0.00 23.12 21.83 2hwz s ALA 137 CO 0.03 0.61 0.34 -0.48 0.00 0.00 0.00 175.76 176.26 2hwz s LEU 138 N -1.32 0.73 0.00 0.00 0.05 -0.59 -4.27 118.68 113.27 2hwz s LEU 138 Ca 0.16 -0.99 0.00 0.00 0.05 0.00 0.00 54.13 53.36 2hwz s LEU 138 Cb -0.11 1.28 0.00 0.00 -2.05 0.00 0.00 46.19 45.31 2hwz s LEU 138 CO 0.07 -0.98 0.00 0.61 -0.55 0.00 0.00 176.35 175.49 2hwz n GLY 139 N -0.29 1.21 2.83 -3.48 0.00 -0.62 -0.35 105.19 104.49 2hwz n GLY 139 Ca -0.03 -0.74 -0.15 0.00 0.00 0.00 0.00 46.02 45.10 2hwz n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwz s LEU 141 N 0.64 4.10 -0.48 0.00 2.96 0.68 -1.23 118.68 125.34 2hwz s LEU 141 Ca -0.06 0.23 -0.04 0.00 -0.22 0.00 0.00 54.13 54.04 2hwz s LEU 141 Cb -0.08 -2.45 0.13 0.00 0.50 0.00 0.00 46.19 44.28 2hwz s LEU 141 CO -0.02 -0.23 0.30 -0.69 -1.32 0.00 0.00 176.35 174.40 2hwz s VAL 142 N 2.11 3.63 0.18 1.68 1.01 0.12 -0.65 120.40 128.48 2hwz s VAL 142 Ca 0.15 -2.21 0.08 0.00 0.00 0.00 0.00 61.98 60.00 2hwz s VAL 142 Cb -0.16 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.75 2hwz s VAL 142 CO 0.10 -0.76 -0.16 -1.59 0.00 0.00 0.00 175.10 172.69 2hwz s LYS 143 N 0.90 1.29 -0.84 2.72 -2.85 -0.52 -0.88 119.74 119.55 2hwz s LYS 143 Ca 0.10 -1.50 -0.03 0.00 -1.00 0.00 0.00 55.97 53.54 2hwz s LYS 143 Cb -0.23 -1.19 -0.04 0.00 -2.06 0.00 0.00 37.83 34.31 2hwz s LYS 143 CO -0.03 0.22 0.72 -0.25 0.10 0.00 0.00 175.35 176.11 2hwz n ASP 144 N -0.06 -4.49 -4.39 0.03 8.00 0.05 -1.14 116.55 114.54 2hwz n ASP 144 Ca -0.10 -0.52 -0.20 0.00 0.71 0.00 0.00 54.79 54.67 2hwz n ASP 144 Cb 0.59 -4.09 -0.10 0.00 -0.02 0.00 0.00 41.12 37.49 2hwz n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2hwz s TYR 145 N -3.29 1.83 -0.28 1.24 1.13 -1.11 -4.38 117.35 112.49 2hwz s TYR 145 Ca 0.25 -0.64 -0.22 0.00 -1.41 0.00 0.00 57.07 55.05 2hwz s TYR 145 Cb -0.03 -0.96 0.09 0.00 -1.10 0.00 0.00 41.96 39.96 2hwz s TYR 145 CO 0.56 0.31 0.79 0.12 -2.51 0.00 0.00 175.55 174.83 2hwz s PHE 146 N -3.00 -0.79 0.00 -3.49 2.19 -0.27 -0.90 117.98 111.72 2hwz s PHE 146 Ca 0.26 1.78 0.00 0.00 0.33 0.00 0.00 56.93 59.30 2hwz s PHE 146 Cb 0.02 0.39 0.00 0.00 -1.31 0.00 0.00 43.02 42.12 2hwz s PHE 146 CO 0.10 -0.38 0.00 -0.35 1.83 0.00 0.00 175.22 176.41 2hwz n PRO 147 N 3.12 1.70 -1.81 10.12 -0.04 -1.26 -1.01 135.00 145.83 2hwz n PRO 147 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.98 2hwz n PRO 147 Cb 0.56 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.06 2hwz n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 2hwz s GLU 148 N -0.15 2.98 0.47 0.54 0.41 -1.26 -4.74 118.70 116.94 2hwz s GLU 148 Ca 0.00 1.25 0.05 0.00 -0.41 0.00 0.00 54.97 55.86 2hwz s GLU 148 Cb 0.00 -1.98 -0.02 0.00 -1.78 0.00 0.00 34.13 30.34 2hwz s GLU 148 CO 0.00 -1.09 0.17 -1.25 -0.49 0.00 0.00 175.26 172.60 2hwz s PRO 149 N -4.27 2.20 0.13 0.39 0.04 -1.26 -4.89 135.00 127.34 2hwz s PRO 149 Ca 0.64 -2.06 0.08 0.00 0.04 0.00 0.00 61.00 59.71 2hwz s PRO 149 Cb -0.18 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.47 2hwz s PRO 149 CO 0.42 -0.29 -0.20 0.54 0.04 0.00 0.00 177.00 177.51 2hwz s VAL 150 N -2.72 1.79 0.09 -0.36 0.11 -1.26 -4.25 120.40 113.79 2hwz s VAL 150 Ca 0.30 -1.71 0.09 0.00 -2.93 0.00 0.00 61.98 57.72 2hwz s VAL 150 Cb 0.03 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.14 2hwz s VAL 150 CO 0.17 -0.16 -0.23 0.42 -3.33 0.00 0.00 175.10 171.97 2hwz s THR 151 N -1.53 1.89 -0.06 5.04 -4.23 0.34 -4.97 115.64 112.12 2hwz s THR 151 Ca 0.11 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.14 2hwz s THR 151 Cb -0.08 -1.68 0.02 0.00 1.34 0.00 0.00 72.50 72.10 2hwz s THR 151 CO 0.05 0.10 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.46 2hwz s VAL 152 N -1.00 0.88 0.31 2.29 1.01 -1.26 -1.35 120.40 121.28 2hwz s VAL 152 Ca 0.09 -0.31 0.06 0.00 0.00 0.00 0.00 61.98 61.82 2hwz s VAL 152 Cb -0.10 -0.84 -0.06 0.00 0.00 0.00 0.00 36.38 35.38 2hwz s VAL 152 CO 0.04 0.30 -0.03 -0.94 0.00 0.00 0.00 175.10 174.47 2hwz s SER 153 N 0.87 2.85 -0.09 3.32 1.04 -0.44 -4.95 113.70 116.29 2hwz s SER 153 Ca -0.11 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.09 2hwz s SER 153 Cb -0.15 -0.18 0.01 0.00 0.10 0.00 0.00 66.02 65.79 2hwz s SER 153 CO 0.01 -0.40 -0.18 0.26 0.98 0.00 0.00 173.24 173.91 2hwz s TRP 154 N -3.02 2.02 -1.41 5.02 0.52 -1.26 -0.32 118.94 120.50 2hwz s TRP 154 Ca 0.32 -0.82 -0.05 0.00 0.02 0.00 0.00 56.10 55.57 2hwz s TRP 154 Cb 0.05 -1.40 0.03 0.00 -1.15 0.00 0.00 33.47 31.00 2hwz s TRP 154 CO 0.14 -0.37 0.75 0.09 0.02 0.00 0.00 176.95 177.58 2hwz n ASN 155 N 3.73 -2.25 -3.10 2.95 3.02 0.68 -1.53 115.26 118.76 2hwz n ASN 155 Ca -0.21 -0.84 -0.22 0.00 -0.03 0.00 0.00 54.58 53.29 2hwz n ASN 155 Cb 0.52 -3.82 0.01 0.00 -0.61 0.00 0.00 39.78 35.88 2hwz n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 2hwz n SER 156 N -2.96 -4.71 0.00 6.41 7.64 -1.26 -1.55 113.62 117.18 2hwz n SER 156 Ca -0.18 -0.27 0.00 0.00 1.01 0.00 0.00 58.87 59.43 2hwz n SER 156 Cb 0.63 -3.86 0.00 0.00 -1.01 0.00 0.00 64.21 59.96 2hwz n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2hwz n GLY 157 N -1.26 1.46 0.27 0.23 0.00 -0.58 -4.93 105.19 100.38 2hwz n GLY 157 Ca -0.07 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.10 2hwz n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2hwz h ALA 158 N 0.00 1.02 -3.38 4.61 0.00 -1.10 -3.39 119.26 117.01 2hwz h ALA 158 Ca 0.00 -0.05 -0.68 0.00 0.00 0.00 0.00 54.91 54.18 2hwz h ALA 158 Cb 0.00 -0.01 -0.32 0.00 0.00 0.00 0.00 17.79 17.46 2hwz h ALA 158 CO 0.00 0.07 -0.71 -1.17 0.00 0.00 0.00 179.25 177.44 2hwz s LEU 159 N -6.37 3.64 0.00 0.00 0.20 -0.81 -4.90 118.68 110.43 2hwz s LEU 159 Ca 0.01 -1.08 0.00 0.00 0.69 0.00 0.00 54.13 53.74 2hwz s LEU 159 Cb 0.09 -1.71 0.00 0.00 -0.43 0.00 0.00 46.19 44.15 2hwz s LEU 159 CO 0.56 -0.21 0.00 0.35 -0.29 0.00 0.00 176.35 176.77 2hwz n THR 160 N 4.66 0.00 -2.28 3.68 -2.24 -1.26 -4.05 114.28 112.79 2hwz n THR 160 Ca -0.14 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.22 2hwz n THR 160 Cb 0.45 -0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.58 2hwz n THR 160 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2hwz s SER 161 N -1.25 6.95 -0.05 3.42 1.04 -1.26 -2.83 113.70 119.71 2hwz s SER 161 Ca 0.00 2.22 0.00 0.00 0.48 0.00 0.00 55.95 58.65 2hwz s SER 161 Cb 0.00 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2hwz s SER 161 CO 0.00 -0.55 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2hwz n GLY 162 N 3.12 0.47 3.80 7.32 0.00 -1.26 -4.70 105.19 113.94 2hwz n GLY 162 Ca 0.09 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.35 2hwz n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2hwz s VAL 163 N -1.98 4.62 -0.16 1.61 1.01 -1.13 -3.15 120.40 121.23 2hwz s VAL 163 Ca 0.00 1.36 -0.04 0.00 0.00 0.00 0.00 61.98 63.30 2hwz s VAL 163 Cb 0.00 -3.97 0.06 0.00 0.00 0.00 0.00 36.38 32.47 2hwz s VAL 163 CO 0.00 0.54 0.08 -1.00 0.00 0.00 0.00 175.10 174.72 2hwz s HIS 164 N -1.13 0.36 -0.42 5.22 3.76 -0.04 -5.00 115.29 118.05 2hwz s HIS 164 Ca 0.31 -0.38 -0.09 0.00 -0.15 0.00 0.00 55.06 54.75 2hwz s HIS 164 Cb -0.21 -0.75 0.08 0.00 1.11 0.00 0.00 32.58 32.82 2hwz s HIS 164 CO 0.21 -0.51 0.26 0.99 -0.85 0.00 0.00 174.74 174.85 2hwz s THR 165 N 2.08 4.26 0.47 1.30 2.01 -1.26 -0.86 115.64 123.64 2hwz s THR 165 Ca 0.02 -1.38 -0.24 0.00 0.31 0.00 0.00 61.69 60.40 2hwz s THR 165 Cb -0.16 -3.60 -0.07 0.00 0.01 0.00 0.00 72.50 68.68 2hwz s THR 165 CO -0.08 -0.50 1.31 -0.36 -0.69 0.00 0.00 174.62 174.29 2hwz s PHE 166 N 1.43 2.60 0.34 4.92 0.40 -0.74 -4.96 117.98 121.97 2hwz s PHE 166 Ca 0.03 1.41 -0.29 0.00 -0.60 0.00 0.00 56.93 57.48 2hwz s PHE 166 Cb -0.23 -3.68 -0.12 0.00 0.51 0.00 0.00 43.02 39.50 2hwz s PHE 166 CO 0.02 -2.35 1.49 -2.30 0.70 0.00 0.00 175.22 172.79 2hwz n PRO 167 N -0.46 2.57 -1.74 0.24 -0.02 -1.26 -4.62 135.00 129.71 2hwz n PRO 167 Ca 0.07 0.91 -0.35 0.00 -2.02 0.00 0.00 63.50 62.11 2hwz n PRO 167 Cb 0.45 -2.63 0.06 0.00 -0.02 0.00 0.00 33.50 31.36 2hwz n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hwz s ALA 168 N -0.68 2.36 -0.04 3.55 0.00 -1.26 -4.87 121.76 120.82 2hwz s ALA 168 Ca 0.58 0.91 0.02 0.00 0.00 0.00 0.00 51.96 53.47 2hwz s ALA 168 Cb -0.50 -3.45 0.02 0.00 0.00 0.00 0.00 23.12 19.18 2hwz s ALA 168 CO 0.58 -1.47 -0.06 0.08 0.00 0.00 0.00 175.76 174.88 2hwz s VAL 169 N -1.83 0.63 -0.07 0.00 1.01 -0.92 -4.96 120.40 114.27 2hwz s VAL 169 Ca 0.75 -0.21 -0.30 0.00 0.00 0.00 0.00 61.98 62.22 2hwz s VAL 169 Cb -0.29 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.46 2hwz s VAL 169 CO 0.39 0.23 1.14 -0.22 0.00 0.00 0.00 175.10 176.64 2hwz s LEU 170 N 0.64 4.27 0.78 3.92 2.96 -1.26 -1.98 118.68 128.00 2hwz s LEU 170 Ca -0.09 1.72 -0.12 0.00 -0.22 0.00 0.00 54.13 55.43 2hwz s LEU 170 Cb -0.12 -3.56 0.06 0.00 0.50 0.00 0.00 46.19 43.07 2hwz s LEU 170 CO 0.01 -0.53 1.15 -1.10 -1.32 0.00 0.00 176.35 174.55 2hwz s GLN 171 N 2.12 2.22 0.56 1.98 -0.21 0.24 -4.94 119.66 121.63 2hwz s GLN 171 Ca 0.53 0.20 0.31 0.00 0.02 0.00 0.00 55.36 56.42 2hwz s GLN 171 Cb -0.23 -1.98 1.66 0.00 1.00 0.00 0.00 33.01 33.46 2hwz s GLN 171 CO 0.21 -1.43 2.15 0.66 -2.12 0.00 0.00 175.29 174.75 2hwz h SER 172 N -0.93 0.00 0.43 5.90 4.64 -1.96 -0.19 113.55 121.44 2hwz h SER 172 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2hwz h SER 172 Cb 1.31 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.40 2hwz h SER 172 CO 0.65 0.07 0.00 -1.54 -0.87 0.00 0.00 176.83 175.14 2hwz n SER 173 N -3.57 0.33 0.00 4.97 3.41 -1.26 -4.83 113.62 112.67 2hwz n SER 173 Ca -0.02 0.60 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2hwz n SER 173 Cb 0.19 -0.67 0.00 0.00 -0.26 0.00 0.00 64.21 63.47 2hwz n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2hwz n GLY 174 N -0.43 0.71 3.37 5.00 0.00 -0.08 -5.06 105.19 108.70 2hwz n GLY 174 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 2hwz n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2hwz s LEU 175 N 0.00 2.26 0.64 0.99 1.43 -1.25 -4.88 118.68 117.87 2hwz s LEU 175 Ca 0.00 -0.68 -0.10 0.00 -1.03 0.00 0.00 54.13 52.31 2hwz s LEU 175 Cb 0.00 -1.23 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 2hwz s LEU 175 CO 0.00 0.21 1.02 -0.31 0.23 0.00 0.00 176.35 177.50 2hwz s TYR 176 N -0.96 3.48 -0.10 0.29 2.02 -0.08 -0.60 117.35 121.40 2hwz s TYR 176 Ca 0.13 1.10 -0.25 0.00 -0.37 0.00 0.00 57.07 57.68 2hwz s TYR 176 Cb -0.10 -2.81 0.06 0.00 -0.40 0.00 0.00 41.96 38.71 2hwz s TYR 176 CO 0.04 -0.84 0.59 0.45 -1.57 0.00 0.00 175.55 174.22 2hwz s SER 177 N -4.25 -0.56 0.19 2.29 0.15 -0.84 -0.77 113.70 109.91 2hwz s SER 177 Ca 0.55 0.76 -0.23 0.00 0.70 0.00 0.00 55.95 57.74 2hwz s SER 177 Cb -0.11 0.72 0.06 0.00 -1.71 0.00 0.00 66.02 64.98 2hwz s SER 177 CO 0.52 -0.45 0.66 -1.48 1.20 0.00 0.00 173.24 173.69 2hwz s LEU 178 N -0.74 -0.45 0.14 3.45 0.05 -0.06 -2.15 118.68 118.92 2hwz s LEU 178 Ca -0.08 -0.21 0.10 0.00 0.05 0.00 0.00 54.13 53.99 2hwz s LEU 178 Cb -0.02 2.60 -0.04 0.00 -2.05 0.00 0.00 46.19 46.68 2hwz s LEU 178 CO 0.06 -1.07 -0.22 -0.44 -0.55 0.00 0.00 176.35 174.12 2hwz s SER 179 N -2.80 2.92 -0.10 1.48 0.01 -1.26 0.14 113.70 114.09 2hwz s SER 179 Ca 0.05 -0.77 -0.00 0.00 1.31 0.00 0.00 55.95 56.53 2hwz s SER 179 Cb -0.03 -0.18 0.02 0.00 0.21 0.00 0.00 66.02 66.04 2hwz s SER 179 CO -0.06 0.08 -0.08 -0.55 0.41 0.00 0.00 173.24 173.04 2hwz s SER 180 N -2.25 2.03 0.27 2.44 0.15 -0.37 -1.79 113.70 114.18 2hwz s SER 180 Ca 0.13 -0.28 0.12 0.00 0.70 0.00 0.00 55.95 56.62 2hwz s SER 180 Cb -0.09 -0.79 -0.05 0.00 -1.71 0.00 0.00 66.02 63.38 2hwz s SER 180 CO 0.06 -0.10 -0.20 0.68 1.20 0.00 0.00 173.24 174.88 2hwz s VAL 181 N 1.56 2.41 -0.10 4.45 -7.23 -0.04 -0.20 120.40 121.25 2hwz s VAL 181 Ca 0.02 -2.36 -0.10 0.00 -1.81 0.00 0.00 61.98 57.72 2hwz s VAL 181 Cb -0.13 -2.26 0.03 0.00 0.56 0.00 0.00 36.38 34.57 2hwz s VAL 181 CO -0.06 -0.39 0.29 0.54 -0.31 0.00 0.00 175.10 175.17 2hwz s VAL 182 N -2.48 0.00 -0.16 1.32 0.11 0.53 -0.86 120.40 118.86 2hwz s VAL 182 Ca 0.29 -0.04 -0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2hwz s VAL 182 Cb -0.05 -0.43 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 2hwz s VAL 182 CO 0.14 -0.02 0.07 0.42 -3.33 0.00 0.00 175.10 172.38 2hwz s THR 183 N 0.05 4.91 0.31 5.04 -4.23 -1.19 -1.54 115.64 118.99 2hwz s THR 183 Ca -0.01 0.00 0.03 0.00 -1.18 0.00 0.00 61.69 60.53 2hwz s THR 183 Cb -0.02 -3.19 -0.05 0.00 1.34 0.00 0.00 72.50 70.58 2hwz s THR 183 CO 0.01 0.50 0.10 0.68 -0.54 0.00 0.00 174.62 175.36 2hwz s VAL 184 N 0.02 0.75 0.22 2.29 -7.23 0.10 -4.83 120.40 111.72 2hwz s VAL 184 Ca 0.06 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.93 2hwz s VAL 184 Cb -0.12 -2.63 -0.10 0.00 0.56 0.00 0.00 36.38 34.09 2hwz s VAL 184 CO 0.01 0.00 1.44 -2.84 -0.31 0.00 0.00 175.10 173.40 2hwz s PRO 185 N -3.91 4.28 0.29 4.82 0.02 -1.26 -0.49 135.00 138.75 2hwz s PRO 185 Ca 0.35 2.26 -0.00 0.00 0.02 0.00 0.00 61.00 63.63 2hwz s PRO 185 Cb 0.07 -3.14 0.50 0.00 0.02 0.00 0.00 34.50 31.95 2hwz s PRO 185 CO 0.15 -0.43 1.90 0.77 -0.33 0.00 0.00 177.00 179.06 2hwz h SER 186 N 5.53 0.94 -0.02 2.53 0.02 -0.82 -0.47 113.55 121.26 2hwz h SER 186 Ca -0.45 0.01 0.01 0.00 -0.84 0.00 0.00 61.79 60.52 2hwz h SER 186 Cb 1.21 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 63.56 2hwz h SER 186 CO 0.81 0.60 0.05 0.77 -1.14 0.00 0.00 176.83 177.91 2hwz h SER 187 N 1.07 0.00 1.63 3.07 4.64 -1.63 -1.54 113.55 120.78 2hwz h SER 187 Ca 0.41 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.73 2hwz h SER 187 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2hwz h SER 187 CO -0.16 0.00 -0.02 0.77 -0.87 0.00 0.00 176.83 176.55 2hwz h SER 188 N 0.00 0.00 -3.26 4.97 4.64 -1.41 -3.45 113.55 115.04 2hwz h SER 188 Ca 0.01 -0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 2hwz h SER 188 Cb 0.10 0.00 0.08 0.00 -0.31 0.00 0.00 62.40 62.28 2hwz h SER 188 CO -0.00 0.00 0.89 0.18 -0.87 0.00 0.00 176.83 177.03 2hwz n LEU 189 N -2.54 4.35 0.00 5.97 4.32 -0.58 -0.35 117.00 128.17 2hwz n LEU 189 Ca 0.05 1.14 0.00 0.00 -0.02 0.00 0.00 56.01 57.18 2hwz n LEU 189 Cb 0.46 -1.59 0.00 0.00 -1.62 0.00 0.00 43.42 40.67 2hwz n LEU 189 CO 0.32 0.15 0.00 0.61 -1.22 0.00 0.00 177.39 177.25 2hwz n GLY 190 N 2.21 2.86 0.49 -0.72 0.00 -1.26 -4.72 105.19 104.05 2hwz n GLY 190 Ca 0.09 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.04 2hwz n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2hwz n THR 191 N -2.00 0.40 -3.07 2.61 -2.24 -0.73 -5.00 114.28 104.26 2hwz n THR 191 Ca 0.00 -0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.26 2hwz n THR 191 Cb 0.00 -1.27 -0.05 0.00 -2.10 0.00 0.00 70.33 66.91 2hwz n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hwz s GLN 192 N -2.14 4.43 -0.01 -0.78 -0.44 0.52 -5.03 119.66 116.21 2hwz s GLN 192 Ca -0.10 0.85 -0.28 0.00 -2.50 0.00 0.00 55.36 53.33 2hwz s GLN 192 Cb 0.03 -3.43 -0.03 0.00 -1.64 0.00 0.00 33.01 27.94 2hwz s GLN 192 CO 0.14 0.11 0.90 0.99 0.50 0.00 0.00 175.29 177.93 2hwz s THR 193 N 0.65 4.88 -0.13 -0.34 2.01 -1.26 -4.84 115.64 116.62 2hwz s THR 193 Ca 0.36 1.89 0.03 0.00 0.31 0.00 0.00 61.69 64.28 2hwz s THR 193 Cb -0.18 -4.24 0.01 0.00 0.01 0.00 0.00 72.50 68.10 2hwz s THR 193 CO 0.18 0.20 -0.21 -0.31 -0.69 0.00 0.00 174.62 173.79 2hwz s TYR 194 N 0.84 2.52 -0.05 4.92 2.02 -1.26 -4.96 117.35 121.39 2hwz s TYR 194 Ca 0.47 -1.22 0.01 0.00 -0.37 0.00 0.00 57.07 55.97 2hwz s TYR 194 Cb -0.20 -1.72 0.02 0.00 -0.40 0.00 0.00 41.96 39.65 2hwz s TYR 194 CO 0.25 -0.55 -0.06 0.42 -1.57 0.00 0.00 175.55 174.04 2hwz s ILE 195 N 0.76 0.64 -0.10 2.71 1.01 -1.26 -0.70 121.20 124.26 2hwz s ILE 195 Ca -0.09 -0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.27 2hwz s ILE 195 Cb -0.16 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.62 2hwz s ILE 195 CO 0.00 0.25 0.25 0.00 0.00 0.00 0.00 174.94 175.44 2hwz s ASN 197 N -0.56 4.90 -0.20 0.00 -0.87 0.57 -0.91 114.94 117.86 2hwz s ASN 197 Ca 0.17 -1.08 -0.06 0.00 -1.57 0.00 0.00 52.86 50.32 2hwz s ASN 197 Cb -0.13 -1.76 -0.03 0.00 -0.02 0.00 0.00 41.25 39.30 2hwz s ASN 197 CO 0.06 -0.24 0.04 -0.69 -2.57 0.00 0.00 177.10 173.70 2hwz s VAL 198 N 1.34 4.35 -0.12 1.60 1.01 0.89 -1.33 120.40 128.13 2hwz s VAL 198 Ca -0.02 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.80 2hwz s VAL 198 Cb -0.19 -2.97 0.01 0.00 0.00 0.00 0.00 36.38 33.23 2hwz s VAL 198 CO -0.00 0.42 -0.17 0.21 0.00 0.00 0.00 175.10 175.56 2hwz s ASN 199 N 0.84 2.63 -0.69 3.32 3.04 -0.46 -0.31 114.94 123.32 2hwz s ASN 199 Ca 0.02 -0.48 0.03 0.00 0.04 0.00 0.00 52.86 52.48 2hwz s ASN 199 Cb -0.14 -1.19 0.17 0.00 -1.54 0.00 0.00 41.25 38.55 2hwz s ASN 199 CO 0.02 0.02 0.49 -2.28 -3.04 0.00 0.00 177.10 172.31 2hwz s HIS 200 N 0.99 3.54 0.28 0.43 5.65 0.72 -0.50 115.29 126.41 2hwz s HIS 200 Ca -0.06 -3.24 0.03 0.00 0.25 0.00 0.00 55.06 52.04 2hwz s HIS 200 Cb -0.15 -2.83 0.64 0.00 -1.18 0.00 0.00 32.58 29.06 2hwz s HIS 200 CO -0.03 -0.62 1.77 0.87 -0.65 0.00 0.00 174.74 176.08 2hwz h LYS 201 N 5.77 0.70 -0.33 2.88 1.57 -1.79 -0.97 116.57 124.40 2hwz h LYS 201 Ca 0.10 -0.04 0.10 0.00 -1.87 0.00 0.00 60.65 58.93 2hwz h LYS 201 Cb 0.80 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 2hwz h LYS 201 CO 0.73 0.46 0.50 -1.35 -0.57 0.00 0.00 179.45 179.22 2hwz h PRO 202 N 0.72 0.00 0.00 3.15 0.11 -1.91 -0.78 132.00 133.29 2hwz h PRO 202 Ca 0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.64 2hwz h PRO 202 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 2hwz h PRO 202 CO -0.37 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 176.29 2hwz n SER 203 N -3.40 1.24 -2.91 -2.05 3.41 -0.74 -4.89 113.62 104.28 2hwz n SER 203 Ca 0.06 -1.39 -0.22 0.00 -0.26 0.00 0.00 58.87 57.06 2hwz n SER 203 Cb 0.64 0.00 0.02 0.00 -0.26 0.00 0.00 64.21 64.61 2hwz n SER 203 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2hwz n ASN 204 N -0.19 -5.70 -4.63 4.04 5.15 -0.30 -4.97 115.26 108.65 2hwz n ASN 204 Ca 0.00 -0.22 -0.35 0.00 -0.60 0.00 0.00 54.58 53.41 2hwz n ASN 204 Cb 0.15 -4.65 -0.10 0.00 -0.53 0.00 0.00 39.78 34.65 2hwz n ASN 204 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 2hwz s THR 205 N -3.09 4.33 -0.02 -0.44 2.01 -0.91 -4.99 115.64 112.52 2hwz s THR 205 Ca 0.24 -0.22 0.04 0.00 0.31 0.00 0.00 61.69 62.05 2hwz s THR 205 Cb -0.11 -2.86 -0.00 0.00 0.01 0.00 0.00 72.50 69.53 2hwz s THR 205 CO 0.30 0.55 -0.12 -0.54 -0.69 0.00 0.00 174.62 174.11 2hwz s LYS 206 N -0.35 1.18 -0.04 4.92 1.02 -1.26 -0.20 119.74 125.01 2hwz s LYS 206 Ca 0.07 -0.44 -0.01 0.00 0.02 0.00 0.00 55.97 55.61 2hwz s LYS 206 Cb -0.12 -1.09 0.03 0.00 -0.52 0.00 0.00 37.83 36.13 2hwz s LYS 206 CO 0.02 0.21 0.07 0.08 -0.92 0.00 0.00 175.35 174.81 2hwz s VAL 207 N -0.06 -0.10 -0.14 3.17 1.01 0.58 -4.98 120.40 119.88 2hwz s VAL 207 Ca 0.00 0.32 -0.05 0.00 0.00 0.00 0.00 61.98 62.26 2hwz s VAL 207 Cb -0.08 -0.15 -0.04 0.00 0.00 0.00 0.00 36.38 36.12 2hwz s VAL 207 CO 0.00 0.13 0.02 -1.81 0.00 0.00 0.00 175.10 173.45 2hwz s ASP 208 N 1.70 5.36 -0.11 3.32 -0.00 -1.26 -0.08 116.67 125.60 2hwz s ASP 208 Ca -0.02 0.08 0.00 0.00 -0.00 0.00 0.00 52.55 52.62 2hwz s ASP 208 Cb -0.12 -1.77 0.02 0.00 -0.00 0.00 0.00 42.92 41.05 2hwz s ASP 208 CO -0.04 0.26 -0.09 -0.75 -0.00 0.00 0.00 175.17 174.55 2hwz s LYS 209 N -0.15 1.61 0.21 8.23 2.47 -0.09 -4.97 119.74 127.05 2hwz s LYS 209 Ca 0.06 -0.31 -0.30 0.00 -1.56 0.00 0.00 55.97 53.86 2hwz s LYS 209 Cb -0.12 -1.58 -0.08 0.00 -1.46 0.00 0.00 37.83 34.58 2hwz s LYS 209 CO 0.02 -0.21 1.01 0.50 0.16 0.00 0.00 175.35 176.83 2hwz s ARG 210 N 1.48 4.73 -0.17 4.03 3.52 -1.26 -1.28 118.95 129.99 2hwz s ARG 210 Ca 0.01 1.59 0.01 0.00 -0.13 0.00 0.00 55.73 57.21 2hwz s ARG 210 Cb -0.13 -3.28 0.02 0.00 -1.56 0.00 0.00 34.95 30.00 2hwz s ARG 210 CO -0.06 0.31 -0.19 0.08 -0.81 0.00 0.00 175.30 174.63 2hwz s VAL 211 N -0.74 1.95 0.10 7.11 1.01 0.13 -4.82 120.40 125.14 2hwz s VAL 211 Ca 0.45 -0.87 -0.04 0.00 0.00 0.00 0.00 61.98 61.52 2hwz s VAL 211 Cb -0.27 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.30 2hwz s VAL 211 CO 0.34 0.52 0.09 -1.83 0.00 0.00 0.00 175.10 174.21 2hwz s GLU 212 N 1.33 0.84 0.55 2.72 -1.05 -1.26 -4.16 118.70 117.67 2hwz s GLU 212 Ca 0.05 -1.24 -0.22 0.00 -0.15 0.00 0.00 54.97 53.42 2hwz s GLU 212 Cb -0.13 0.27 -0.05 0.00 -0.44 0.00 0.00 34.13 33.78 2hwz s GLU 212 CO -0.12 -0.24 1.37 -2.30 0.95 0.00 0.00 175.26 174.92 2hwz n PRO 213 N -0.04 1.69 -2.72 -4.83 -0.02 -1.26 -4.42 135.00 123.40 2hwz n PRO 213 Ca -0.10 0.62 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 2hwz n PRO 213 Cb 0.62 -2.59 -0.06 0.00 -0.02 0.00 0.00 33.50 31.45 2hwz n PRO 213 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2hwz s LYS 214 N -2.92 4.74 -0.38 -0.52 2.20 -1.26 -5.01 119.74 116.59 2hwz s LYS 214 Ca 0.72 1.48 -0.24 0.00 -0.36 0.00 0.00 55.97 57.57 2hwz s LYS 214 Cb -0.41 -3.12 0.01 0.00 -1.51 0.00 0.00 37.83 32.80 2hwz s LYS 214 CO 0.49 0.40 0.85 0.45 -0.36 0.00 0.00 175.35 177.18 2hwz s SER 215 N -1.27 6.59 0.37 1.43 0.15 -1.26 -5.02 113.70 114.70 2hwz s SER 215 Ca 0.44 0.41 -0.27 0.00 0.70 0.00 0.00 55.95 57.23 2hwz s SER 215 Cb -0.25 -2.43 -0.09 0.00 -1.71 0.00 0.00 66.02 61.55 2hwz s SER 215 CO 0.31 -0.81 1.23 0.00 1.20 0.00 0.00 173.24 175.17 2hwz s ASP 217 N -0.83 6.31 -0.02 0.00 -1.08 -1.26 -4.99 116.67 114.79 2hwz s ASP 217 Ca 0.54 0.21 -0.16 0.00 -0.52 0.00 0.00 52.55 52.62 2hwz s ASP 217 Cb -0.35 -2.24 0.05 0.00 -1.46 0.00 0.00 42.92 38.92 2hwz s ASP 217 CO 0.45 -0.31 0.70 2.29 0.52 0.00 0.00 175.17 178.83 2hwz n LYS 218 N 5.51 0.07 -2.69 4.34 2.85 -1.26 -5.09 118.16 121.89 2hwz n LYS 218 Ca -0.06 -0.37 -0.42 0.00 -1.05 0.00 0.00 58.31 56.41 2hwz n LYS 218 Cb 0.50 0.64 -0.03 0.00 -0.65 0.00 0.00 35.03 35.48 2hwz n LYS 218 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2hwz s THR 219 N -2.06 4.13 -2.86 0.58 -4.23 -1.26 -5.31 115.64 104.64 2hwz s THR 219 Ca 0.17 0.55 0.25 0.00 -1.18 0.00 0.00 61.69 61.48 2hwz s THR 219 Cb -0.00 -4.68 0.29 0.00 1.34 0.00 0.00 72.50 69.45 2hwz s THR 219 CO -0.01 -1.33 1.40 1.41 -0.54 0.00 0.00 174.62 175.55