#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2fww s VAL 17 N 0.00 5.22 -1.36 1.39 1.01 -0.06 -4.22 120.40 122.38 2fww s VAL 17 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 2fww s VAL 17 Cb 0.00 -3.30 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2fww s VAL 17 CO 0.00 0.56 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2fww n GLY 18 N 2.55 1.01 0.00 4.51 0.00 -1.22 -2.87 105.19 109.16 2fww n GLY 18 Ca -0.18 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2fww n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fww n GLY 19 N -1.25 3.10 3.16 -0.02 0.00 -1.26 -4.85 105.19 104.07 2fww n GLY 19 Ca -0.14 -2.05 -0.10 0.00 0.00 0.00 0.00 46.02 43.74 2fww n GLY 19 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2fww s GLN 20 N 2.20 0.69 0.22 1.61 2.00 0.54 -4.93 119.66 122.00 2fww s GLN 20 Ca 0.00 -0.78 -0.31 0.00 -2.00 0.00 0.00 55.36 52.27 2fww s GLN 20 Cb 0.00 0.28 -0.11 0.00 0.80 0.00 0.00 33.01 33.98 2fww s GLN 20 CO 0.00 -0.19 1.63 -2.00 -0.50 0.00 0.00 175.29 174.23 2fww s GLU 21 N -2.97 4.16 0.33 1.67 2.12 -1.26 -0.70 118.70 122.04 2fww s GLU 21 Ca -0.02 2.52 -0.28 0.00 0.36 0.00 0.00 54.97 57.55 2fww s GLU 21 Cb 0.01 -3.08 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 2fww s GLU 21 CO -0.06 -0.66 1.16 0.00 -0.54 0.00 0.00 175.26 175.15 2fww s ALA 22 N 0.78 3.33 0.86 6.30 0.00 0.39 -4.83 121.76 128.59 2fww s ALA 22 Ca 0.70 0.97 -0.10 0.00 0.00 0.00 0.00 51.96 53.53 2fww s ALA 22 Cb -0.47 -3.37 0.11 0.00 0.00 0.00 0.00 23.12 19.39 2fww s ALA 22 CO 0.37 -0.36 1.12 -2.14 0.00 0.00 0.00 175.76 174.75 2fww s PRO 23 N -1.82 1.53 0.38 0.00 0.02 -1.26 -4.89 135.00 128.95 2fww s PRO 23 Ca 0.50 1.33 0.28 0.00 0.02 0.00 0.00 61.00 63.13 2fww s PRO 23 Cb -0.32 -1.80 1.14 0.00 0.02 0.00 0.00 34.50 33.54 2fww s PRO 23 CO 0.42 -2.20 1.82 0.00 -0.33 0.00 0.00 177.00 176.71 2fww h ARG 24 N -1.55 0.00 -0.01 5.54 3.08 -2.00 -3.06 114.38 116.38 2fww h ARG 24 Ca -0.44 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.61 2fww h ARG 24 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2fww h ARG 24 CO 0.47 0.00 -0.52 -1.13 -1.07 0.00 0.00 179.97 177.71 2fww n SER 25 N -2.58 1.50 -4.92 7.04 3.41 -1.26 -4.94 113.62 111.86 2fww n SER 25 Ca 0.01 -1.18 -0.29 0.00 -0.26 0.00 0.00 58.87 57.15 2fww n SER 25 Cb 0.26 0.48 -0.04 0.00 -0.26 0.00 0.00 64.21 64.65 2fww n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2fww s LYS 26 N -2.62 3.50 -0.93 4.33 1.02 -1.16 -4.64 119.74 119.24 2fww s LYS 26 Ca 0.17 -0.36 -0.05 0.00 0.02 0.00 0.00 55.97 55.75 2fww s LYS 26 Cb 0.18 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 2fww s LYS 26 CO 0.62 0.50 0.81 0.91 -0.92 0.00 0.00 175.35 177.28 2fww n TRP 27 N -0.18 -2.17 0.32 3.18 5.03 -1.26 -4.84 117.44 117.52 2fww n TRP 27 Ca -0.05 0.76 0.16 0.00 3.03 0.00 0.00 57.50 61.40 2fww n TRP 27 Cb 0.52 -3.97 0.65 0.00 -1.03 0.00 0.00 31.31 27.49 2fww n TRP 27 CO 0.00 0.00 0.00 -1.35 -0.03 0.00 0.00 177.69 176.31 2fww h PRO 28 N -0.98 0.00 0.00 -0.99 0.11 -1.82 -3.13 132.00 125.19 2fww h PRO 28 Ca -0.54 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2fww h PRO 28 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 2fww h PRO 28 CO 0.39 0.00 -0.98 -2.67 -0.21 0.00 0.00 178.00 174.53 2fww n TRP 29 N -2.82 0.66 -1.66 0.65 2.14 -1.14 -2.80 117.44 112.47 2fww n TRP 29 Ca 0.01 0.19 -0.47 0.00 2.07 0.00 0.00 57.50 59.30 2fww n TRP 29 Cb 0.27 -0.75 -0.05 0.00 -0.81 0.00 0.00 31.31 29.98 2fww n TRP 29 CO 0.00 0.00 0.00 0.94 2.07 0.00 0.00 177.69 180.70 2fww n GLN 30 N -2.36 2.00 -4.25 -2.67 -0.06 -1.19 -1.15 117.38 107.70 2fww n GLN 30 Ca 0.01 0.72 -0.17 0.00 -2.00 0.00 0.00 57.00 55.56 2fww n GLN 30 Cb 0.50 -2.48 -0.11 0.00 -4.06 0.00 0.00 30.24 24.09 2fww n GLN 30 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 2fww s VAL 31 N 1.39 1.32 -0.07 1.69 -7.23 -0.87 -1.93 120.40 114.70 2fww s VAL 31 Ca 0.82 -1.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.19 2fww s VAL 31 Cb -0.73 -1.63 -0.02 0.00 0.56 0.00 0.00 36.38 34.56 2fww s VAL 31 CO 0.42 -0.51 -0.15 -0.55 -0.31 0.00 0.00 175.10 174.00 2fww s SER 32 N -2.68 3.95 -0.17 4.85 0.15 0.98 -1.51 113.70 119.28 2fww s SER 32 Ca 0.12 -0.26 -0.12 0.00 0.70 0.00 0.00 55.95 56.39 2fww s SER 32 Cb -0.03 -1.07 -0.05 0.00 -1.71 0.00 0.00 66.02 63.16 2fww s SER 32 CO 0.03 0.28 0.22 -0.76 1.20 0.00 0.00 173.24 174.21 2fww s LEU 33 N -0.36 4.24 -0.09 3.45 1.43 0.38 -0.97 118.68 126.76 2fww s LEU 33 Ca 0.04 0.40 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 2fww s LEU 33 Cb -0.12 -2.25 -0.02 0.00 0.03 0.00 0.00 46.19 43.83 2fww s LEU 33 CO 0.02 0.14 -0.15 -0.13 0.23 0.00 0.00 176.35 176.47 2fww s ARG 34 N 0.36 2.92 -0.00 1.70 1.81 0.15 -1.80 118.95 124.08 2fww s ARG 34 Ca 0.13 -0.72 0.03 0.00 -1.72 0.00 0.00 55.73 53.45 2fww s ARG 34 Cb -0.12 -2.47 -0.03 0.00 -0.45 0.00 0.00 34.95 31.87 2fww s ARG 34 CO 0.02 0.41 -0.06 0.54 -0.68 0.00 0.00 175.30 175.52 2fww s VAL 35 N -0.16 3.71 0.25 3.52 0.11 0.35 -1.98 120.40 126.20 2fww s VAL 35 Ca -0.01 -0.73 -0.30 0.00 -2.93 0.00 0.00 61.98 58.01 2fww s VAL 35 Cb -0.13 -2.61 -0.09 0.00 -1.53 0.00 0.00 36.38 32.02 2fww s VAL 35 CO 0.03 0.41 0.96 -2.28 -3.33 0.00 0.00 175.10 170.89 2fww s HIS 36 N -0.99 3.91 -0.26 1.54 2.46 -0.86 -1.38 115.29 119.71 2fww s HIS 36 Ca 0.17 1.88 0.00 0.00 0.47 0.00 0.00 55.06 57.58 2fww s HIS 36 Cb -0.11 -3.02 0.00 0.00 -0.13 0.00 0.00 32.58 29.32 2fww s HIS 36 CO 0.07 0.31 0.00 0.41 -2.47 0.00 0.00 174.74 173.06 2fww n GLY 37 N 1.38 -0.90 0.40 1.59 0.00 -1.26 -4.95 105.19 101.45 2fww n GLY 37 Ca -0.02 -0.14 0.19 0.00 0.00 0.00 0.00 46.02 46.05 2fww n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2fww h PRO 37 N 0.00 0.00 -2.45 1.61 0.11 -2.04 -3.41 132.00 125.81 2fww h PRO 37 Ca 0.00 0.00 0.10 0.00 0.11 0.00 0.00 66.00 66.21 2fww h PRO 37 Cb 0.00 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 30.98 2fww h PRO 37 CO 0.00 0.00 0.43 1.52 -0.21 0.00 0.00 178.00 179.74 2fww s TYR 37 N -4.41 -0.33 -0.86 0.65 1.13 -1.26 -5.08 117.35 107.20 2fww s TYR 37 Ca -0.03 0.13 -0.25 0.00 -1.41 0.00 0.00 57.07 55.51 2fww s TYR 37 Cb 0.12 0.57 -0.02 0.00 -1.10 0.00 0.00 41.96 41.54 2fww s TYR 37 CO 0.42 -0.69 1.78 -1.58 -2.51 0.00 0.00 175.55 172.97 2fww s TRP 38 N -3.30 1.96 0.12 -3.49 0.52 -1.26 -4.66 118.94 108.82 2fww s TRP 38 Ca 0.06 0.32 -0.23 0.00 0.02 0.00 0.00 56.10 56.26 2fww s TRP 38 Cb -0.01 -4.23 -0.07 0.00 -1.15 0.00 0.00 33.47 28.01 2fww s TRP 38 CO -0.07 -1.92 0.71 1.41 0.02 0.00 0.00 176.95 177.10 2fww s MET 39 N 6.51 4.45 0.33 4.98 1.75 -0.48 -4.71 119.30 132.13 2fww s MET 39 Ca 0.62 1.01 -0.29 0.00 -1.25 0.00 0.00 55.69 55.79 2fww s MET 39 Cb -0.07 -3.27 -0.10 0.00 2.84 0.00 0.00 34.83 34.23 2fww s MET 39 CO 0.03 0.54 1.28 -1.58 -0.65 0.00 0.00 175.02 174.64 2fww s HIS 40 N -0.95 3.10 0.00 4.11 2.46 -1.26 -0.49 115.29 122.26 2fww s HIS 40 Ca 0.34 1.45 0.00 0.00 0.47 0.00 0.00 55.06 57.32 2fww s HIS 40 Cb -0.22 -3.63 0.00 0.00 -0.13 0.00 0.00 32.58 28.61 2fww s HIS 40 CO 0.23 -1.70 0.00 1.97 -2.47 0.00 0.00 174.74 172.77 2fww n PHE 41 N 0.78 0.00 -3.52 3.88 -1.74 -0.74 -4.90 117.46 111.22 2fww n PHE 41 Ca 0.00 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.81 2fww n PHE 41 Cb 0.42 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.40 2fww n PHE 41 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2fww n GLY 43 N -0.11 2.11 3.04 0.00 0.00 0.92 -0.47 105.19 110.69 2fww n GLY 43 Ca -0.08 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.76 2fww n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2fww n GLY 44 N 1.91 0.52 2.93 -0.02 0.00 -0.57 -3.73 105.19 106.24 2fww n GLY 44 Ca 0.06 -1.05 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 2fww n GLY 44 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2fww s SER 45 N -3.05 0.31 -0.50 1.61 1.04 0.04 -2.04 113.70 111.12 2fww s SER 45 Ca 0.21 -0.13 -0.25 0.00 0.48 0.00 0.00 55.95 56.26 2fww s SER 45 Cb -0.01 -0.01 0.03 0.00 0.10 0.00 0.00 66.02 66.13 2fww s SER 45 CO 0.02 -0.02 0.91 -0.22 0.98 0.00 0.00 173.24 174.90 2fww s LEU 46 N -0.32 4.08 0.00 2.42 2.96 -0.30 -0.06 118.68 127.46 2fww s LEU 46 Ca -0.02 -0.11 0.19 0.00 -0.22 0.00 0.00 54.13 53.97 2fww s LEU 46 Cb -0.03 -3.01 -0.04 0.00 0.50 0.00 0.00 46.19 43.61 2fww s LEU 46 CO -0.00 -1.10 0.92 2.30 -1.32 0.00 0.00 176.35 177.14 2fww n ILE 47 N 6.29 0.00 -3.49 6.68 -5.35 -0.53 -0.18 119.36 122.78 2fww n ILE 47 Ca 0.04 -0.26 -0.15 0.00 -0.27 0.00 0.00 62.75 62.12 2fww n ILE 47 Cb 0.48 1.18 -0.04 0.00 -1.74 0.00 0.00 39.64 39.51 2fww n ILE 47 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2fww s HIS 48 N -2.26 -0.57 0.59 4.28 5.04 -1.15 -4.67 115.29 116.55 2fww s HIS 48 Ca 0.14 0.75 0.29 0.00 -1.54 0.00 0.00 55.06 54.69 2fww s HIS 48 Cb 0.15 0.47 1.38 0.00 0.04 0.00 0.00 32.58 34.63 2fww s HIS 48 CO 0.53 -0.67 1.78 -1.35 -2.34 0.00 0.00 174.74 172.70 2fww h PRO 49 N 2.55 0.00 0.00 2.88 0.11 -1.93 -1.40 132.00 134.20 2fww h PRO 49 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 2fww h PRO 49 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2fww h PRO 49 CO 0.37 0.00 -0.01 0.94 -0.21 0.00 0.00 178.00 179.10 2fww n GLN 50 N -3.62 2.28 -4.54 1.05 7.27 -1.26 0.12 117.38 118.69 2fww n GLN 50 Ca 0.12 -1.36 -0.23 0.00 0.07 0.00 0.00 57.00 55.59 2fww n GLN 50 Cb 0.85 -0.93 -0.16 0.00 2.41 0.00 0.00 30.24 32.42 2fww n GLN 50 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2fww s TRP 51 N -0.90 1.29 -0.15 3.69 0.52 -0.53 -1.49 118.94 121.37 2fww s TRP 51 Ca 0.02 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 2fww s TRP 51 Cb 0.02 -0.93 -0.02 0.00 -1.15 0.00 0.00 33.47 31.39 2fww s TRP 51 CO 0.00 -0.19 -0.07 0.08 0.02 0.00 0.00 176.95 176.80 2fww s VAL 52 N 0.41 3.63 -0.12 4.03 1.01 0.63 -1.45 120.40 128.54 2fww s VAL 52 Ca -0.09 -0.45 -0.10 0.00 0.00 0.00 0.00 61.98 61.34 2fww s VAL 52 Cb -0.13 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 2fww s VAL 52 CO 0.02 0.50 0.22 -0.22 0.00 0.00 0.00 175.10 175.62 2fww s LEU 53 N 0.36 4.35 0.30 3.92 2.96 0.91 -0.03 118.68 131.44 2fww s LEU 53 Ca -0.06 0.53 -0.19 0.00 -0.22 0.00 0.00 54.13 54.18 2fww s LEU 53 Cb -0.15 -2.23 0.04 0.00 0.50 0.00 0.00 46.19 44.35 2fww s LEU 53 CO 0.04 0.29 0.80 0.28 -1.32 0.00 0.00 176.35 176.44 2fww s THR 54 N -0.51 0.00 0.14 3.68 -1.32 -0.79 -0.78 115.64 116.07 2fww s THR 54 Ca 0.16 -0.93 -0.30 0.00 -1.21 0.00 0.00 61.69 59.41 2fww s THR 54 Cb -0.13 -2.41 -0.07 0.00 -1.51 0.00 0.00 72.50 68.39 2fww s THR 54 CO 0.05 0.00 0.99 0.00 -2.21 0.00 0.00 174.62 173.45 2fww s ALA 55 N -3.10 3.29 0.23 11.08 0.00 -1.26 0.63 121.76 132.63 2fww s ALA 55 Ca 0.14 0.64 -0.06 0.00 0.00 0.00 0.00 51.96 52.67 2fww s ALA 55 Cb -0.05 -3.29 0.35 0.00 0.00 0.00 0.00 23.12 20.14 2fww s ALA 55 CO 0.08 -0.05 1.77 0.00 0.00 0.00 0.00 175.76 177.56 2fww h ALA 56 N 5.32 0.99 0.00 0.00 0.00 -1.69 -1.09 119.26 122.79 2fww h ALA 56 Ca -0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2fww h ALA 56 Cb 1.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2fww h ALA 56 CO 0.72 -0.08 0.00 1.12 0.00 0.00 0.00 179.25 181.01 2fww h HIS 57 N 0.57 0.00 0.00 0.00 2.07 -1.89 0.30 115.15 116.20 2fww h HIS 57 Ca 0.36 0.00 -0.12 0.00 -2.85 0.00 0.00 60.37 57.76 2fww h HIS 57 Cb 0.41 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.37 2fww h HIS 57 CO -0.12 0.00 -0.56 0.00 -3.07 0.00 0.00 177.93 174.18 2fww n VAL 59 N -3.59 0.80 -3.27 0.00 0.24 0.10 -5.02 118.33 107.59 2fww n VAL 59 Ca -0.00 -1.04 -0.01 0.00 -2.04 0.00 0.00 64.34 61.25 2fww n VAL 59 Cb 0.62 0.22 0.00 0.00 -1.47 0.00 0.00 33.84 33.22 2fww n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2fww n GLY 60 N -0.56 2.41 0.12 7.63 0.00 0.82 -4.61 105.19 111.00 2fww n GLY 60 Ca 0.07 -1.17 0.13 0.00 0.00 0.00 0.00 46.02 45.04 2fww n GLY 60 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2fww n PRO 60 N -0.03 0.24 -2.65 1.61 -0.04 -1.26 -4.56 135.00 128.31 2fww n PRO 60 Ca -0.00 0.32 -0.34 0.00 -0.04 0.00 0.00 63.50 63.44 2fww n PRO 60 Cb 0.03 -1.85 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2fww n PRO 60 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2fww s ASP 60 N -4.43 6.60 -0.02 3.54 1.01 -1.26 -4.99 116.67 117.13 2fww s ASP 60 Ca 0.07 1.85 -0.30 0.00 0.71 0.00 0.00 52.55 54.88 2fww s ASP 60 Cb 0.11 -2.55 -0.05 0.00 1.01 0.00 0.00 42.92 41.43 2fww s ASP 60 CO 0.50 -0.60 1.41 -0.69 0.21 0.00 0.00 175.17 176.00 2fww s VAL 60 N -2.03 3.76 0.39 -1.27 1.01 -1.26 -5.00 120.40 116.00 2fww s VAL 60 Ca 0.65 1.11 0.08 0.00 0.00 0.00 0.00 61.98 63.81 2fww s VAL 60 Cb -0.14 -3.71 -0.00 0.00 0.00 0.00 0.00 36.38 32.52 2fww s VAL 60 CO 0.18 -0.02 0.48 -0.54 0.00 0.00 0.00 175.10 175.20 2fww s LYS 60 N 2.60 2.81 -0.19 2.72 -0.14 -1.26 -5.10 119.74 121.19 2fww s LYS 60 Ca 0.64 -1.27 -0.15 0.00 -1.36 0.00 0.00 55.97 53.83 2fww s LYS 60 Cb -0.31 -2.66 -0.04 0.00 -1.68 0.00 0.00 37.83 33.15 2fww s LYS 60 CO 0.26 -0.14 0.37 0.34 -0.76 0.00 0.00 175.35 175.41 2fww s ASP 60 N -4.23 6.44 0.24 2.83 -1.08 -1.26 -4.97 116.67 114.65 2fww s ASP 60 Ca 0.50 0.52 -0.05 0.00 -0.52 0.00 0.00 52.55 53.00 2fww s ASP 60 Cb -0.08 -2.22 0.33 0.00 -1.46 0.00 0.00 42.92 39.50 2fww s ASP 60 CO 0.31 -0.02 1.86 -0.07 0.52 0.00 0.00 175.17 177.76 2fww h LEU 61 N 7.32 0.86 -1.41 -1.34 3.38 -1.95 -2.34 115.31 119.83 2fww h LEU 61 Ca -0.38 0.01 0.25 0.00 0.09 0.00 0.00 57.88 57.86 2fww h LEU 61 Cb 1.16 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.66 2fww h LEU 61 CO 0.73 0.55 0.66 0.00 0.09 0.00 0.00 178.44 180.47 2fww h ALA 62 N 1.41 2.25 -0.06 1.53 0.00 -1.93 0.11 119.26 122.56 2fww h ALA 62 Ca 0.38 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.34 2fww h ALA 62 Cb 0.16 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.97 2fww h ALA 62 CO -0.17 -0.63 0.00 0.00 0.00 0.00 0.00 179.25 178.45 2fww n ALA 63 N -2.49 2.58 -2.51 0.00 0.00 -0.88 -4.87 120.51 112.34 2fww n ALA 63 Ca 0.24 -0.31 -0.30 0.00 0.00 0.00 0.00 53.44 53.07 2fww n ALA 63 Cb 0.85 -1.23 -0.11 0.00 0.00 0.00 0.00 19.45 18.95 2fww n ALA 63 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2fww s LEU 64 N -1.65 2.79 0.05 0.00 2.96 0.38 -2.03 118.68 121.18 2fww s LEU 64 Ca 0.32 -0.43 -0.15 0.00 -0.22 0.00 0.00 54.13 53.65 2fww s LEU 64 Cb 0.16 -1.63 0.03 0.00 0.50 0.00 0.00 46.19 45.25 2fww s LEU 64 CO 0.26 0.22 0.34 -0.13 -1.32 0.00 0.00 176.35 175.72 2fww s ARG 65 N -1.83 0.86 0.06 1.98 1.81 -0.84 -4.26 118.95 116.73 2fww s ARG 65 Ca 0.17 -0.48 0.09 0.00 -1.72 0.00 0.00 55.73 53.80 2fww s ARG 65 Cb -0.11 0.38 -0.03 0.00 -0.45 0.00 0.00 34.95 34.74 2fww s ARG 65 CO 0.09 -0.29 -0.26 0.54 -0.68 0.00 0.00 175.30 174.70 2fww s VAL 66 N -2.61 2.11 -0.11 3.52 0.11 0.15 -0.68 120.40 122.90 2fww s VAL 66 Ca -0.04 -1.43 0.00 0.00 -2.93 0.00 0.00 61.98 57.58 2fww s VAL 66 Cb -0.01 -1.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.05 2fww s VAL 66 CO -0.04 0.31 -0.11 -1.58 -3.33 0.00 0.00 175.10 170.36 2fww s GLN 67 N -1.35 1.78 1.11 1.54 2.00 -0.14 -0.10 119.66 124.49 2fww s GLN 67 Ca 0.12 -0.37 -0.19 0.00 -2.00 0.00 0.00 55.36 52.91 2fww s GLN 67 Cb -0.10 -1.68 0.27 0.00 0.80 0.00 0.00 33.01 32.31 2fww s GLN 67 CO 0.03 -0.18 1.13 1.28 -0.50 0.00 0.00 175.29 177.04 2fww n LEU 68 N 4.60 0.00 -4.67 3.68 4.32 -1.26 -0.01 117.00 123.65 2fww n LEU 68 Ca -0.16 -1.21 -0.64 0.00 -0.02 0.00 0.00 56.01 53.98 2fww n LEU 68 Cb 0.50 -0.97 -0.09 0.00 -1.62 0.00 0.00 43.42 41.24 2fww n LEU 68 CO 0.20 -1.90 1.01 -1.14 -1.22 0.00 0.00 177.39 174.34 2fww n ARG 69 N -4.41 0.20 -4.26 3.23 0.63 -0.81 -4.66 116.66 106.57 2fww n ARG 69 Ca 0.15 0.07 -0.23 0.00 -0.92 0.00 0.00 57.85 56.92 2fww n ARG 69 Cb 0.56 -1.60 -0.17 0.00 0.45 0.00 0.00 32.46 31.71 2fww n ARG 69 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2fww s GLU 70 N 2.18 1.23 0.11 -0.14 2.12 -1.26 -5.04 118.70 117.90 2fww s GLU 70 Ca 1.00 -0.23 -0.19 0.00 0.36 0.00 0.00 54.97 55.91 2fww s GLU 70 Cb -1.36 -1.16 -0.06 0.00 0.26 0.00 0.00 34.13 31.81 2fww s GLU 70 CO 0.72 -0.08 1.67 0.37 -0.54 0.00 0.00 175.26 177.40 2fww h GLN 71 N 7.32 0.37 -4.67 4.30 5.75 -1.93 -3.41 115.11 122.83 2fww h GLN 71 Ca -0.33 -0.06 -0.58 0.00 -0.15 0.00 0.00 58.65 57.53 2fww h GLN 71 Cb 1.16 -0.07 -0.35 0.00 1.07 0.00 0.00 27.48 29.29 2fww h GLN 71 CO 0.45 0.38 -0.83 -1.01 -2.65 0.00 0.00 178.83 175.16 2fww s HIS 72 N -5.68 1.97 0.38 3.99 3.76 -1.26 -1.33 115.29 117.12 2fww s HIS 72 Ca -0.13 -0.98 -0.26 0.00 -0.15 0.00 0.00 55.06 53.54 2fww s HIS 72 Cb 0.08 -1.44 -0.11 0.00 1.11 0.00 0.00 32.58 32.22 2fww s HIS 72 CO 0.72 -0.53 1.15 1.28 -0.85 0.00 0.00 174.74 176.51 2fww n LEU 73 N 4.41 3.12 0.00 0.89 4.77 0.18 -2.54 117.00 127.83 2fww n LEU 73 Ca -0.18 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.92 2fww n LEU 73 Cb 0.51 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.18 2fww n LEU 73 CO 0.23 -0.99 0.00 -1.22 -1.33 0.00 0.00 177.39 174.08 2fww n TYR 74 N -0.10 0.00 0.15 -1.77 4.01 -1.26 -4.79 117.16 113.40 2fww n TYR 74 Ca 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.75 2fww n TYR 74 Cb 0.37 -0.31 -0.03 0.00 -0.31 0.00 0.00 39.34 39.06 2fww n TYR 74 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2fww h TYR 75 N 0.00 -0.37 -0.92 -0.72 3.20 -1.84 -3.35 116.97 112.96 2fww h TYR 75 Ca 0.00 -0.01 -0.61 0.00 3.14 0.00 0.00 58.73 61.25 2fww h TYR 75 Cb 0.00 0.12 -0.30 0.00 1.54 0.00 0.00 36.73 38.09 2fww h TYR 75 CO 0.00 -0.23 0.53 1.04 -1.64 0.00 0.00 178.16 177.86 2fww n GLN 79 N -3.65 2.72 -1.60 1.82 1.13 -1.26 -5.04 117.38 111.50 2fww n GLN 79 Ca -0.05 -3.38 -0.56 0.00 -1.94 0.00 0.00 57.00 51.07 2fww n GLN 79 Cb 0.16 -2.24 -0.07 0.00 0.11 0.00 0.00 30.24 28.19 2fww n GLN 79 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2fww n ASP 80 N -0.93 1.26 -3.31 1.08 9.92 -1.26 -4.95 116.55 118.36 2fww n ASP 80 Ca 0.58 1.13 -0.24 0.00 -0.53 0.00 0.00 54.79 55.73 2fww n ASP 80 Cb 0.88 -1.08 -0.09 0.00 -0.64 0.00 0.00 41.12 40.19 2fww n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2fww s GLN 81 N 1.01 0.90 0.09 -1.24 -0.21 -1.26 -5.13 119.66 113.82 2fww s GLN 81 Ca 0.90 -1.89 -0.31 0.00 0.02 0.00 0.00 55.36 54.08 2fww s GLN 81 Cb -1.10 -1.20 -0.08 0.00 1.00 0.00 0.00 33.01 31.62 2fww s GLN 81 CO 0.55 -1.37 1.49 -0.51 -2.12 0.00 0.00 175.29 173.34 2fww s LEU 82 N 0.26 4.36 -0.18 2.90 1.43 -1.26 -4.66 118.68 121.53 2fww s LEU 82 Ca 0.31 2.38 -0.06 0.00 -1.03 0.00 0.00 54.13 55.73 2fww s LEU 82 Cb 0.01 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 2fww s LEU 82 CO -0.16 -0.76 0.03 -0.76 0.23 0.00 0.00 176.35 174.93 2fww s LEU 83 N 1.76 3.64 0.84 1.79 1.43 0.86 -4.91 118.68 124.09 2fww s LEU 83 Ca 0.68 0.01 -0.11 0.00 -1.03 0.00 0.00 54.13 53.68 2fww s LEU 83 Cb -0.38 -1.91 0.10 0.00 0.03 0.00 0.00 46.19 44.03 2fww s LEU 83 CO 0.30 0.16 1.09 -2.16 0.23 0.00 0.00 176.35 175.98 2fww s PRO 84 N 0.42 1.67 -0.03 1.29 0.04 -1.26 -0.68 135.00 136.46 2fww s PRO 84 Ca 0.01 0.98 0.02 0.00 0.04 0.00 0.00 61.00 62.05 2fww s PRO 84 Cb -0.13 -1.84 -0.03 0.00 0.04 0.00 0.00 34.50 32.53 2fww s PRO 84 CO 0.01 -1.99 -0.08 0.08 0.04 0.00 0.00 177.00 175.05 2fww s VAL 85 N -2.92 3.57 -0.11 -0.36 1.01 -1.26 -3.20 120.40 117.13 2fww s VAL 85 Ca 0.62 -0.66 0.21 0.00 0.00 0.00 0.00 61.98 62.15 2fww s VAL 85 Cb -0.18 -2.49 -0.23 0.00 0.00 0.00 0.00 36.38 33.49 2fww s VAL 85 CO 0.57 0.50 0.59 -1.54 0.00 0.00 0.00 175.10 175.22 2fww n SER 86 N 1.93 0.30 -3.64 3.32 3.41 0.42 -4.74 113.62 114.61 2fww n SER 86 Ca -0.17 0.12 -0.05 0.00 -0.26 0.00 0.00 58.87 58.52 2fww n SER 86 Cb 0.53 1.27 -0.07 0.00 -0.26 0.00 0.00 64.21 65.68 2fww n SER 86 CO 0.00 0.00 0.00 -0.60 -0.16 0.00 0.00 175.04 174.28 2fww s ARG 87 N -3.25 0.46 -0.29 4.33 3.52 -1.11 -4.99 118.95 117.62 2fww s ARG 87 Ca -0.06 0.70 -0.11 0.00 -0.13 0.00 0.00 55.73 56.13 2fww s ARG 87 Cb 0.11 0.14 -0.05 0.00 -1.56 0.00 0.00 34.95 33.59 2fww s ARG 87 CO 0.86 -0.08 0.19 0.42 -0.81 0.00 0.00 175.30 175.88 2fww s ILE 88 N 1.04 5.28 -0.31 4.11 -1.09 -1.26 -1.54 121.20 127.42 2fww s ILE 88 Ca -0.05 0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.48 2fww s ILE 88 Cb -0.04 -3.54 0.07 0.00 -1.58 0.00 0.00 42.46 37.37 2fww s ILE 88 CO -0.13 0.22 0.01 -0.63 -1.23 0.00 0.00 174.94 173.18 2fww s ILE 89 N 1.75 2.72 -0.17 2.92 1.01 0.14 -5.00 121.20 124.57 2fww s ILE 89 Ca 0.07 -1.70 -0.07 0.00 0.00 0.00 0.00 60.65 58.95 2fww s ILE 89 Cb -0.16 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2fww s ILE 89 CO 0.11 -0.25 0.05 -0.69 0.00 0.00 0.00 174.94 174.15 2fww s VAL 90 N 1.14 4.69 -0.07 2.92 1.01 -1.26 0.57 120.40 129.39 2fww s VAL 90 Ca -0.02 -0.08 -0.36 0.00 0.00 0.00 0.00 61.98 61.53 2fww s VAL 90 Cb -0.20 -3.09 -0.14 0.00 0.00 0.00 0.00 36.38 32.95 2fww s VAL 90 CO -0.04 0.48 1.73 1.57 0.00 0.00 0.00 175.10 178.84 2fww n HIS 91 N 3.36 2.15 0.22 5.22 -0.00 -0.93 -4.84 115.22 120.41 2fww n HIS 91 Ca -0.17 0.26 0.08 0.00 0.46 0.00 0.00 57.72 58.35 2fww n HIS 91 Cb 0.52 -2.55 0.37 0.00 -0.12 0.00 0.00 29.99 28.21 2fww n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 2fww n PRO 92 N 5.24 0.09 0.00 1.57 -0.04 -1.26 -1.43 135.00 139.17 2fww n PRO 92 Ca 0.22 0.50 0.13 0.00 -0.04 0.00 0.00 63.50 64.31 2fww n PRO 92 Cb 0.24 -1.75 0.47 0.00 -0.04 0.00 0.00 33.50 32.41 2fww n PRO 92 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2fww n GLN 93 N -1.94 0.23 -2.64 0.54 1.13 -1.26 -4.89 117.38 108.54 2fww n GLN 93 Ca 0.00 -0.09 -0.41 0.00 -1.94 0.00 0.00 57.00 54.56 2fww n GLN 93 Cb 0.09 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 28.90 2fww n GLN 93 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2fww s PHE 94 N -2.83 3.69 0.00 1.08 5.36 -0.51 -4.82 117.98 119.94 2fww s PHE 94 Ca 0.17 1.68 0.00 0.00 -0.96 0.00 0.00 56.93 57.82 2fww s PHE 94 Cb 0.19 -3.16 0.00 0.00 -0.34 0.00 0.00 43.02 39.71 2fww s PHE 94 CO 0.58 -0.20 0.00 0.98 -1.46 0.00 0.00 175.22 175.12 2fww n TYR 95 N 3.01 0.00 -3.94 10.12 9.36 -1.26 -4.90 117.16 129.54 2fww n TYR 95 Ca 0.04 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.17 2fww n TYR 95 Cb 0.48 0.36 -0.09 0.00 -0.63 0.00 0.00 39.34 39.47 2fww n TYR 95 CO 0.00 0.00 0.00 0.95 0.22 0.00 0.00 176.86 178.03 2fww s THR 96 N -1.86 0.16 0.45 2.97 -4.23 -1.26 -4.46 115.64 107.40 2fww s THR 96 Ca 0.00 -1.28 0.15 0.00 -1.18 0.00 0.00 61.69 59.38 2fww s THR 96 Cb 0.00 -1.17 0.19 0.00 1.34 0.00 0.00 72.50 72.86 2fww s THR 96 CO 0.00 -0.71 2.00 0.00 -0.54 0.00 0.00 174.62 175.38 2fww h ALA 97 N 3.27 1.68 -0.02 3.99 0.00 -1.95 -2.14 119.26 124.09 2fww h ALA 97 Ca -0.33 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2fww h ALA 97 Cb 1.18 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2fww h ALA 97 CO 0.56 0.22 -0.77 1.96 0.00 0.00 0.00 179.25 181.22 2fww h GLN 98 N 0.00 0.16 -0.09 0.00 7.50 -1.96 -3.17 115.11 117.55 2fww h GLN 98 Ca -0.00 -0.15 -0.23 0.00 0.50 0.00 0.00 58.65 58.77 2fww h GLN 98 Cb 0.31 0.04 0.01 0.00 0.05 0.00 0.00 27.48 27.89 2fww h GLN 98 CO 0.02 0.85 -0.85 0.82 -1.50 0.00 0.00 178.83 178.17 2fww h ILE 99 N 0.10 1.31 0.00 2.54 2.04 -1.85 -3.47 117.51 118.18 2fww h ILE 99 Ca -0.02 -2.12 0.00 0.00 1.00 0.00 0.00 64.86 63.72 2fww h ILE 99 Cb 1.34 2.14 0.00 0.00 -0.74 0.00 0.00 36.82 39.56 2fww h ILE 99 CO 0.11 0.66 0.00 0.61 0.00 0.00 0.00 178.15 179.53 2fww n GLY 100 N 0.78 0.74 3.92 5.37 0.00 -0.84 -5.03 105.19 110.13 2fww n GLY 100 Ca -0.07 -2.15 -0.27 0.00 0.00 0.00 0.00 46.02 43.53 2fww n GLY 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fww n ALA 101 N -1.00 -1.77 -2.79 4.61 0.00 -1.26 -4.45 120.51 113.85 2fww n ALA 101 Ca 0.00 -0.12 -0.44 0.00 0.00 0.00 0.00 53.44 52.89 2fww n ALA 101 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 19.45 17.00 2fww n ALA 101 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2fww n ASP 102 N -2.93 5.13 -3.72 0.00 2.03 -1.26 -4.26 116.55 111.54 2fww n ASP 102 Ca -0.19 -2.98 -0.14 0.00 0.52 0.00 0.00 54.79 52.00 2fww n ASP 102 Cb 0.63 -1.59 -0.09 0.00 -0.72 0.00 0.00 41.12 39.34 2fww n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2fww s ILE 103 N 1.88 0.01 0.11 5.18 2.07 -1.26 -3.81 121.20 125.38 2fww s ILE 103 Ca 0.44 -0.09 -0.09 0.00 -1.41 0.00 0.00 60.65 59.51 2fww s ILE 103 Cb 0.00 -0.64 -0.00 0.00 0.13 0.00 0.00 42.46 41.95 2fww s ILE 103 CO 0.01 -0.05 0.21 0.00 -1.91 0.00 0.00 174.94 173.21 2fww s ALA 104 N -0.15 -0.18 -0.05 1.50 0.00 0.21 -2.19 121.76 120.90 2fww s ALA 104 Ca -0.03 -0.67 0.04 0.00 0.00 0.00 0.00 51.96 51.30 2fww s ALA 104 Cb -0.03 0.58 -0.00 0.00 0.00 0.00 0.00 23.12 23.66 2fww s ALA 104 CO 0.02 -0.54 -0.19 -0.51 0.00 0.00 0.00 175.76 174.54 2fww s LEU 105 N -2.89 1.93 -0.20 0.00 1.43 0.19 -1.89 118.68 117.27 2fww s LEU 105 Ca 0.08 -0.39 -0.04 0.00 -1.03 0.00 0.00 54.13 52.75 2fww s LEU 105 Cb 0.04 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.19 2fww s LEU 105 CO -0.08 0.16 -0.03 -0.76 0.23 0.00 0.00 176.35 175.86 2fww s LEU 106 N 0.08 3.06 -0.29 1.79 1.02 0.95 -0.69 118.68 124.61 2fww s LEU 106 Ca -0.06 -0.28 -0.09 0.00 0.02 0.00 0.00 54.13 53.72 2fww s LEU 106 Cb -0.13 -1.77 -0.02 0.00 0.02 0.00 0.00 46.19 44.30 2fww s LEU 106 CO 0.03 0.05 0.14 -0.70 0.02 0.00 0.00 176.35 175.89 2fww s GLU 107 N 1.06 3.52 0.57 1.70 2.12 -0.59 -0.27 118.70 126.82 2fww s GLU 107 Ca 0.01 -0.59 -0.18 0.00 0.36 0.00 0.00 54.97 54.57 2fww s GLU 107 Cb -0.15 -3.52 -0.05 0.00 0.26 0.00 0.00 34.13 30.68 2fww s GLU 107 CO 0.01 -0.32 1.10 -0.51 -0.54 0.00 0.00 175.26 175.00 2fww s LEU 108 N 1.64 3.65 0.53 2.70 1.43 -0.55 0.16 118.68 128.24 2fww s LEU 108 Ca 0.05 2.05 0.32 0.00 -1.03 0.00 0.00 54.13 55.52 2fww s LEU 108 Cb -0.16 -4.56 1.30 0.00 0.03 0.00 0.00 46.19 42.79 2fww s LEU 108 CO 0.06 -1.23 1.96 -0.33 0.23 0.00 0.00 176.35 177.04 2fww h GLU 109 N 0.89 0.00 -3.88 1.70 5.08 -1.84 -3.40 114.58 113.13 2fww h GLU 109 Ca -0.49 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 57.68 2fww h GLU 109 Cb 1.25 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 30.26 2fww h GLU 109 CO 0.57 0.04 -0.70 -2.00 -1.00 0.00 0.00 179.01 175.91 2fww s GLU 110 N -3.67 0.21 0.49 2.33 2.56 -1.26 -5.01 118.70 114.35 2fww s GLU 110 Ca 0.01 -0.40 -0.21 0.00 0.00 0.00 0.00 54.97 54.38 2fww s GLU 110 Cb 0.09 0.07 -0.08 0.00 2.00 0.00 0.00 34.13 36.22 2fww s GLU 110 CO 0.56 -0.03 1.08 -1.25 -0.56 0.00 0.00 175.26 175.05 2fww s PRO 111 N -0.96 3.72 0.10 4.30 0.04 -1.26 -4.73 135.00 136.21 2fww s PRO 111 Ca -0.11 1.50 -0.21 0.00 0.04 0.00 0.00 61.00 62.22 2fww s PRO 111 Cb -0.07 -2.16 -0.07 0.00 0.04 0.00 0.00 34.50 32.24 2fww s PRO 111 CO -0.01 -0.52 0.64 0.08 0.04 0.00 0.00 177.00 177.23 2fww s VAL 112 N -1.83 4.62 -0.86 -0.36 1.01 0.33 -4.95 120.40 118.36 2fww s VAL 112 Ca 0.67 1.38 -0.23 0.00 0.00 0.00 0.00 61.98 63.81 2fww s VAL 112 Cb -0.21 -3.98 0.07 0.00 0.00 0.00 0.00 36.38 32.26 2fww s VAL 112 CO 0.24 0.54 1.24 -0.54 0.00 0.00 0.00 175.10 176.59 2fww s LYS 113 N -1.10 3.40 0.78 2.72 3.01 -1.26 -4.83 119.74 122.46 2fww s LYS 113 Ca 0.31 -0.99 -0.13 0.00 -1.01 0.00 0.00 55.97 54.15 2fww s LYS 113 Cb -0.21 -4.76 0.07 0.00 -1.01 0.00 0.00 37.83 31.92 2fww s LYS 113 CO 0.21 -2.02 1.17 0.14 0.51 0.00 0.00 175.35 175.36 2fww s VAL 114 N 4.48 2.43 0.31 3.17 -7.23 -1.26 -5.00 120.40 117.29 2fww s VAL 114 Ca 0.36 0.18 -0.02 0.00 -1.81 0.00 0.00 61.98 60.69 2fww s VAL 114 Cb -0.06 -2.57 0.01 0.00 0.56 0.00 0.00 36.38 34.31 2fww s VAL 114 CO 0.00 -0.14 0.44 -1.54 -0.31 0.00 0.00 175.10 173.54 2fww n SER 115 N -3.24 -1.21 0.14 4.85 3.41 0.45 -4.98 113.62 113.03 2fww n SER 115 Ca 0.12 -2.68 0.13 0.00 -0.26 0.00 0.00 58.87 56.18 2fww n SER 115 Cb 0.51 2.27 0.43 0.00 -0.26 0.00 0.00 64.21 67.16 2fww n SER 115 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2fww h SER 116 N 1.75 0.00 0.71 4.04 4.64 -2.01 -3.04 113.55 119.64 2fww h SER 116 Ca -0.24 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.03 2fww h SER 116 Cb 1.06 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.14 2fww h SER 116 CO 0.33 0.00 -1.33 1.57 -0.87 0.00 0.00 176.83 176.53 2fww n HIS 117 N -2.41 0.75 -3.49 4.77 -0.00 -1.26 -4.79 115.22 108.79 2fww n HIS 117 Ca 0.04 0.23 -0.20 0.00 -0.00 0.00 0.00 57.72 57.79 2fww n HIS 117 Cb 0.36 -0.90 -0.13 0.00 -0.00 0.00 0.00 29.99 29.32 2fww n HIS 117 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2fww s VAL 118 N -3.28 -0.29 0.18 3.57 1.01 -1.15 -4.56 120.40 115.88 2fww s VAL 118 Ca -0.03 -0.21 -0.23 0.00 0.00 0.00 0.00 61.98 61.51 2fww s VAL 118 Cb 0.10 -0.73 0.06 0.00 0.00 0.00 0.00 36.38 35.81 2fww s VAL 118 CO 0.82 -0.28 0.69 -1.38 0.00 0.00 0.00 175.10 174.95 2fww s HIS 119 N 2.30 -0.39 0.74 5.22 -0.00 -1.12 -0.41 115.29 121.62 2fww s HIS 119 Ca 0.07 0.11 -0.16 0.00 -0.00 0.00 0.00 55.06 55.08 2fww s HIS 119 Cb -0.16 0.61 0.01 0.00 -0.00 0.00 0.00 32.58 33.04 2fww s HIS 119 CO -0.16 -0.94 0.88 0.25 -0.00 0.00 0.00 174.74 174.77 2fww n THR 120 N -0.40 2.39 -3.39 -5.38 -2.24 -1.26 -2.87 114.28 101.14 2fww n THR 120 Ca -0.12 -0.35 -0.19 0.00 -2.27 0.00 0.00 64.05 61.13 2fww n THR 120 Cb 0.63 -1.02 -0.00 0.00 -2.10 0.00 0.00 70.33 67.84 2fww n THR 120 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fww s VAL 121 N -1.90 3.93 -0.16 2.28 0.11 0.74 -4.83 120.40 120.57 2fww s VAL 121 Ca 0.71 -0.98 -0.07 0.00 -2.93 0.00 0.00 61.98 58.71 2fww s VAL 121 Cb -0.33 -3.36 -0.04 0.00 -1.53 0.00 0.00 36.38 31.12 2fww s VAL 121 CO 0.53 -0.14 0.09 -0.89 -3.33 0.00 0.00 175.10 171.35 2fww s THR 122 N -2.21 5.03 0.38 5.04 2.01 -1.24 -4.66 115.64 119.98 2fww s THR 122 Ca 0.46 0.04 -0.23 0.00 0.31 0.00 0.00 61.69 62.28 2fww s THR 122 Cb -0.10 -3.24 -0.10 0.00 0.01 0.00 0.00 72.50 69.07 2fww s THR 122 CO 0.32 0.50 0.94 -0.76 -0.69 0.00 0.00 174.62 174.93 2fww s LEU 123 N -0.05 4.12 0.31 4.42 1.43 -1.26 -1.62 118.68 126.03 2fww s LEU 123 Ca 0.08 1.74 -0.23 0.00 -1.03 0.00 0.00 54.13 54.69 2fww s LEU 123 Cb -0.12 -4.29 -0.10 0.00 0.03 0.00 0.00 46.19 41.72 2fww s LEU 123 CO 0.01 -0.22 0.88 -2.16 0.23 0.00 0.00 176.35 175.08 2fww s PRO 124 N -2.67 4.42 0.69 1.29 0.04 -1.26 -4.86 135.00 132.66 2fww s PRO 124 Ca 0.56 1.15 -0.15 0.00 0.04 0.00 0.00 61.00 62.61 2fww s PRO 124 Cb -0.13 -2.72 0.02 0.00 0.04 0.00 0.00 34.50 31.70 2fww s PRO 124 CO 0.18 0.26 1.14 -1.25 0.04 0.00 0.00 177.00 177.38 2fww s PRO 125 N -2.22 2.50 0.40 0.56 0.04 -1.26 -4.82 135.00 130.20 2fww s PRO 125 Ca 0.50 1.52 0.10 0.00 0.04 0.00 0.00 61.00 63.16 2fww s PRO 125 Cb -0.16 -1.90 0.55 0.00 0.04 0.00 0.00 34.50 33.02 2fww s PRO 125 CO 0.21 -1.50 1.19 0.00 0.04 0.00 0.00 177.00 176.94 2fww h ALA 126 N -0.17 1.38 0.00 8.56 0.00 -1.95 0.11 119.26 127.20 2fww h ALA 126 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2fww h ALA 126 Cb 1.26 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2fww h ALA 126 CO 0.52 -0.38 -1.59 -1.13 0.00 0.00 0.00 179.25 176.67 2fww n SER 127 N -2.12 0.36 -4.67 0.00 3.41 -1.26 -4.98 113.62 104.36 2fww n SER 127 Ca -0.01 -0.22 -0.40 0.00 -0.26 0.00 0.00 58.87 57.98 2fww n SER 127 Cb 0.52 1.52 0.03 0.00 -0.26 0.00 0.00 64.21 66.02 2fww n SER 127 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 2fww n GLU 128 N -2.09 1.54 -0.02 4.33 4.07 0.38 -4.94 120.64 123.91 2fww n GLU 128 Ca -0.01 0.56 -0.03 0.00 -0.06 0.00 0.00 57.16 57.62 2fww n GLU 128 Cb 0.50 -2.29 -0.03 0.00 -0.06 0.00 0.00 31.44 29.56 2fww n GLU 128 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2fww n THR 129 N -0.72 0.28 -2.85 6.31 5.66 -1.26 -4.97 114.28 116.72 2fww n THR 129 Ca 0.09 -0.13 -0.07 0.00 -3.05 0.00 0.00 64.05 60.89 2fww n THR 129 Cb 0.42 -0.76 0.01 0.00 -1.55 0.00 0.00 70.33 68.45 2fww n THR 129 CO 0.00 0.00 0.00 0.49 -3.05 0.00 0.00 175.07 172.51 2fww n PHE 130 N -2.46 -3.54 -2.00 1.09 3.72 -1.26 -4.93 117.46 108.07 2fww n PHE 130 Ca -0.08 1.47 -0.33 0.00 -0.05 0.00 0.00 57.45 58.45 2fww n PHE 130 Cb 0.61 -3.93 0.02 0.00 -0.94 0.00 0.00 39.48 35.24 2fww n PHE 130 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fww s PRO 131 N -2.34 3.13 0.12 -1.08 0.04 -1.26 -4.94 135.00 128.68 2fww s PRO 131 Ca 0.19 1.38 -0.33 0.00 0.04 0.00 0.00 61.00 62.28 2fww s PRO 131 Cb -0.05 -2.00 -0.13 0.00 0.04 0.00 0.00 34.50 32.37 2fww s PRO 131 CO 0.77 -0.98 1.68 -2.30 0.04 0.00 0.00 177.00 176.20 2fww n PRO 132 N -1.97 2.32 -0.16 0.56 -0.02 -1.26 -2.12 135.00 132.35 2fww n PRO 132 Ca 0.10 0.84 0.00 0.00 -2.02 0.00 0.00 63.50 62.42 2fww n PRO 132 Cb 0.52 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2fww n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2fww n GLY 133 N 3.75 1.01 3.77 -1.23 0.00 -1.03 -4.98 105.19 106.47 2fww n GLY 133 Ca 0.18 -0.15 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2fww n GLY 133 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2fww s MET 134 N -0.42 4.54 -0.55 1.61 0.00 -0.90 -4.90 119.30 118.68 2fww s MET 134 Ca 0.00 1.12 -0.27 0.00 0.00 0.00 0.00 55.69 56.54 2fww s MET 134 Cb 0.00 -3.28 -0.01 0.00 0.00 0.00 0.00 34.83 31.54 2fww s MET 134 CO 0.00 0.51 1.67 -2.14 0.00 0.00 0.00 175.02 175.06 2fww s PRO 135 N -0.90 3.01 0.16 4.11 0.02 -1.26 -3.64 135.00 136.51 2fww s PRO 135 Ca 0.36 0.66 0.06 0.00 0.02 0.00 0.00 61.00 62.10 2fww s PRO 135 Cb -0.22 -4.25 -0.04 0.00 0.02 0.00 0.00 34.50 30.00 2fww s PRO 135 CO 0.25 -2.28 -0.12 0.00 -0.33 0.00 0.00 177.00 174.53 2fww s TRP 137 N -3.14 0.98 0.01 0.00 0.52 0.11 -0.46 118.94 116.96 2fww s TRP 137 Ca 0.18 -0.28 0.08 0.00 0.02 0.00 0.00 56.10 56.10 2fww s TRP 137 Cb 0.01 -0.60 -0.02 0.00 -1.15 0.00 0.00 33.47 31.70 2fww s TRP 137 CO 0.03 -0.00 -0.25 0.54 0.02 0.00 0.00 176.95 177.28 2fww s VAL 138 N -0.61 2.02 0.21 4.03 0.11 -0.97 -0.70 120.40 124.48 2fww s VAL 138 Ca 0.01 -1.22 0.03 0.00 -2.93 0.00 0.00 61.98 57.87 2fww s VAL 138 Cb -0.06 -1.70 -0.05 0.00 -1.53 0.00 0.00 36.38 33.04 2fww s VAL 138 CO 0.00 0.44 -0.01 0.42 -3.33 0.00 0.00 175.10 172.63 2fww s THR 139 N -0.70 0.93 -5.00 5.04 -4.23 -1.23 -2.24 115.64 108.21 2fww s THR 139 Ca 0.10 -2.02 0.00 0.00 -1.18 0.00 0.00 61.69 58.59 2fww s THR 139 Cb -0.10 -2.25 0.00 0.00 1.34 0.00 0.00 72.50 71.49 2fww s THR 139 CO 0.01 -0.39 0.00 0.61 -0.54 0.00 0.00 174.62 174.31 2fww n GLY 140 N -0.35 -2.20 0.78 3.99 0.00 -0.60 -4.54 105.19 102.27 2fww n GLY 140 Ca -0.06 -1.39 0.03 0.00 0.00 0.00 0.00 46.02 44.60 2fww n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2fww n TRP 141 N 0.75 0.59 -1.80 1.61 8.01 -1.26 -0.39 117.44 124.96 2fww n TRP 141 Ca 0.00 -1.35 -0.27 0.00 -1.31 0.00 0.00 57.50 54.58 2fww n TRP 141 Cb 0.00 -0.34 0.19 0.00 -2.01 0.00 0.00 31.31 29.15 2fww n TRP 141 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2fww n GLY 142 N -1.08 -1.55 3.54 6.99 0.00 -1.25 -4.73 105.19 107.12 2fww n GLY 142 Ca 0.25 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.16 2fww n GLY 142 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fww n ASP 143 N -3.84 0.28 -0.09 1.61 8.00 0.84 -2.89 116.55 120.46 2fww n ASP 143 Ca 0.15 0.96 0.14 0.00 0.71 0.00 0.00 54.79 56.75 2fww n ASP 143 Cb 0.53 -1.25 0.51 0.00 -0.02 0.00 0.00 41.12 40.89 2fww n ASP 143 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2fww n VAL 144 N -0.74 0.00 -3.89 2.53 0.24 -0.02 -0.57 118.33 115.88 2fww n VAL 144 Ca 0.11 -0.05 -0.01 0.00 -2.04 0.00 0.00 64.34 62.35 2fww n VAL 144 Cb 0.40 -0.03 0.01 0.00 -1.47 0.00 0.00 33.84 32.75 2fww n VAL 144 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2fww s ASP 145 N -2.67 -0.01 -0.14 -1.34 -1.08 -1.21 -4.28 116.67 105.94 2fww s ASP 145 Ca 0.22 -0.48 -0.29 0.00 -0.52 0.00 0.00 52.55 51.48 2fww s ASP 145 Cb 0.19 0.37 -0.06 0.00 -1.46 0.00 0.00 42.92 41.96 2fww s ASP 145 CO 0.54 -0.73 2.09 0.20 0.52 0.00 0.00 175.17 177.79 2fww s ASN 146 N -3.48 5.84 -1.40 -0.34 0.01 -1.26 -1.67 114.94 112.63 2fww s ASN 146 Ca 0.23 2.11 -0.09 0.00 -0.71 0.00 0.00 52.86 54.40 2fww s ASN 146 Cb -0.01 -2.52 0.02 0.00 0.41 0.00 0.00 41.25 39.15 2fww s ASN 146 CO 0.03 -1.62 1.10 -0.67 -1.51 0.00 0.00 177.10 174.43 2fww n ASP 147 N 10.13 -6.15 -3.73 -1.22 -0.08 -1.26 -4.97 116.55 109.27 2fww n ASP 147 Ca 0.26 -0.55 -0.30 0.00 -1.51 0.00 0.00 54.79 52.69 2fww n ASP 147 Cb 0.44 -4.85 -0.15 0.00 2.34 0.00 0.00 41.12 38.90 2fww n ASP 147 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 2fww s GLU 149 N -6.30 0.76 0.78 -0.67 2.12 -0.67 -5.10 118.70 109.61 2fww s GLU 149 Ca 0.57 -1.15 -0.14 0.00 0.36 0.00 0.00 54.97 54.61 2fww s GLU 149 Cb -0.26 -2.02 0.06 0.00 0.26 0.00 0.00 34.13 32.16 2fww s GLU 149 CO 0.71 -1.00 1.16 0.54 -0.54 0.00 0.00 175.26 176.12 2fww n ARG 150 N 4.75 0.36 0.00 4.30 5.12 -1.26 -0.84 116.66 129.08 2fww n ARG 150 Ca -0.01 0.19 0.00 0.00 -1.93 0.00 0.00 57.85 56.10 2fww n ARG 150 Cb 0.41 -2.40 0.00 0.00 -1.16 0.00 0.00 32.46 29.31 2fww n ARG 150 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2fww n LEU 151 N -2.76 0.00 -0.26 0.55 7.94 -1.26 -4.40 117.00 116.81 2fww n LEU 151 Ca 0.14 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.04 2fww n LEU 151 Cb 0.50 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.45 2fww n LEU 151 CO 0.48 -0.19 0.00 -0.81 -1.11 0.00 0.00 177.39 175.76 2fww n PRO 152 N -0.17 0.00 -2.87 1.96 -0.04 -1.26 -5.00 135.00 127.62 2fww n PRO 152 Ca 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.39 2fww n PRO 152 Cb 0.00 -0.40 0.03 0.00 -0.04 0.00 0.00 33.50 33.09 2fww n PRO 152 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2fww n PHE 153 N 0.00 -2.21 -2.73 0.54 3.72 -1.26 -3.54 117.46 111.98 2fww n PHE 153 Ca 0.00 0.80 -0.38 0.00 -0.05 0.00 0.00 57.45 57.82 2fww n PHE 153 Cb 0.00 -3.75 -0.06 0.00 -0.94 0.00 0.00 39.48 34.73 2fww n PHE 153 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2fww s PRO 154 N -3.64 4.68 0.10 -1.08 0.04 -1.26 -0.65 135.00 133.19 2fww s PRO 154 Ca 0.21 1.44 -0.31 0.00 0.04 0.00 0.00 61.00 62.38 2fww s PRO 154 Cb -0.03 -3.01 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 2fww s PRO 154 CO 0.61 0.35 1.65 -1.17 0.04 0.00 0.00 177.00 178.48 2fww s LEU 155 N -1.68 4.37 0.35 -3.56 2.96 -0.44 -4.79 118.68 115.89 2fww s LEU 155 Ca 0.46 2.56 0.07 0.00 -0.22 0.00 0.00 54.13 57.00 2fww s LEU 155 Cb -0.23 -3.57 -0.02 0.00 0.50 0.00 0.00 46.19 42.87 2fww s LEU 155 CO 0.29 -0.89 0.39 -0.54 -1.32 0.00 0.00 176.35 174.28 2fww s LYS 156 N 2.24 2.85 0.00 1.98 1.02 0.48 -0.46 119.74 127.85 2fww s LYS 156 Ca 0.74 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 55.40 2fww s LYS 156 Cb -0.42 -2.61 0.01 0.00 -0.52 0.00 0.00 37.83 34.29 2fww s LYS 156 CO 0.32 0.01 0.21 1.14 -0.92 0.00 0.00 175.35 176.12 2fww s GLN 157 N -4.11 0.60 -0.19 1.68 -2.07 0.12 -1.55 119.66 114.13 2fww s GLN 157 Ca 0.45 -0.37 -0.16 0.00 -1.82 0.00 0.00 55.36 53.45 2fww s GLN 157 Cb -0.07 0.26 0.05 0.00 -1.09 0.00 0.00 33.01 32.16 2fww s GLN 157 CO 0.29 -0.16 0.50 0.54 -1.32 0.00 0.00 175.29 175.14 2fww s VAL 158 N -1.62 -0.00 -0.29 3.63 0.11 -0.95 -0.34 120.40 120.94 2fww s VAL 158 Ca -0.12 0.01 -0.27 0.00 -2.93 0.00 0.00 61.98 58.67 2fww s VAL 158 Cb -0.05 -0.71 0.01 0.00 -1.53 0.00 0.00 36.38 34.09 2fww s VAL 158 CO 0.01 0.01 0.95 -0.75 -3.33 0.00 0.00 175.10 171.99 2fww s LYS 159 N 0.52 4.09 -0.03 1.54 2.20 -1.26 -2.29 119.74 124.50 2fww s LYS 159 Ca -0.02 0.96 0.04 0.00 -0.36 0.00 0.00 55.97 56.60 2fww s LYS 159 Cb -0.04 -3.70 -0.03 0.00 -1.51 0.00 0.00 37.83 32.55 2fww s LYS 159 CO -0.03 -0.73 -0.15 0.14 -0.36 0.00 0.00 175.35 174.23 2fww s VAL 160 N 3.24 3.00 -0.17 4.02 -7.23 0.39 -4.93 120.40 118.71 2fww s VAL 160 Ca 0.40 -0.83 -0.19 0.00 -1.81 0.00 0.00 61.98 59.54 2fww s VAL 160 Cb -0.14 -2.19 -0.03 0.00 0.56 0.00 0.00 36.38 34.58 2fww s VAL 160 CO 0.11 0.53 0.54 -2.16 -0.31 0.00 0.00 175.10 173.81 2fww s PRO 161 N -0.90 4.24 0.81 4.82 0.04 -1.26 -3.29 135.00 139.46 2fww s PRO 161 Ca 0.12 0.48 -0.13 0.00 0.04 0.00 0.00 61.00 61.52 2fww s PRO 161 Cb -0.11 -3.53 0.09 0.00 0.04 0.00 0.00 34.50 30.99 2fww s PRO 161 CO 0.02 -0.09 1.19 0.42 0.04 0.00 0.00 177.00 178.58 2fww s ILE 162 N 1.41 2.18 -0.11 0.56 1.01 -1.24 -1.99 121.20 123.03 2fww s ILE 162 Ca 0.26 0.08 -0.09 0.00 0.00 0.00 0.00 60.65 60.90 2fww s ILE 162 Cb -0.16 -2.44 0.03 0.00 0.01 0.00 0.00 42.46 39.91 2fww s ILE 162 CO 0.10 -0.06 0.28 -0.04 0.00 0.00 0.00 174.94 175.22 2fww s MET 163 N -4.24 0.31 0.23 2.79 -1.94 -0.19 -2.47 119.30 113.79 2fww s MET 163 Ca 0.71 0.43 -0.30 0.00 -1.71 0.00 0.00 55.69 54.83 2fww s MET 163 Cb -0.27 0.10 -0.15 0.00 2.01 0.00 0.00 34.83 36.53 2fww s MET 163 CO 0.51 -0.07 1.04 0.39 -0.01 0.00 0.00 175.02 176.89 2fww n GLU 164 N 3.22 1.17 -0.21 2.03 1.02 -1.26 -4.30 120.64 122.30 2fww n GLU 164 Ca -0.15 0.41 0.02 0.00 -0.02 0.00 0.00 57.16 57.42 2fww n GLU 164 Cb 0.57 -1.81 0.13 0.00 -0.02 0.00 0.00 31.44 30.30 2fww n GLU 164 CO 0.00 0.00 0.00 -0.91 1.18 0.00 0.00 177.13 177.40 2fww h ASN 165 N 2.56 -0.01 0.04 1.62 -0.26 -1.93 -0.69 115.58 116.90 2fww h ASN 165 Ca -0.40 0.12 -0.03 0.00 -0.56 0.00 0.00 56.30 55.43 2fww h ASN 165 Cb 1.35 0.17 -0.01 0.00 -1.06 0.00 0.00 38.32 38.77 2fww h ASN 165 CO 0.65 -0.01 -0.09 1.12 -1.06 0.00 0.00 177.43 178.03 2fww h HIS 166 N 0.26 0.13 -0.30 1.19 2.07 -1.91 -0.93 115.15 115.65 2fww h HIS 166 Ca 0.34 -0.01 -0.15 0.00 -2.85 0.00 0.00 60.37 57.71 2fww h HIS 166 Cb 0.53 -0.04 -0.00 0.00 2.57 0.00 0.00 27.41 30.47 2fww h HIS 166 CO -0.26 0.23 -0.39 0.82 -3.07 0.00 0.00 177.93 175.26 2fww h ILE 167 N 0.13 1.29 -0.40 6.12 1.08 -1.49 0.07 117.51 124.31 2fww h ILE 167 Ca 0.03 -1.57 -0.11 0.00 -0.39 0.00 0.00 64.86 62.82 2fww h ILE 167 Cb 0.25 1.57 -0.01 0.00 -3.07 0.00 0.00 36.82 35.56 2fww h ILE 167 CO 0.01 0.51 -0.19 0.00 -0.69 0.00 0.00 178.15 177.80 2fww h ASP 169 N 0.64 1.05 -0.13 0.00 3.58 -1.15 0.16 116.42 120.58 2fww h ASP 169 Ca 0.09 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2fww h ASP 169 Cb 0.74 -0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.52 2fww h ASP 169 CO 0.06 0.77 0.06 0.00 -2.88 0.00 0.00 179.24 177.25 2fww h ALA 170 N 1.32 0.16 -0.25 -0.78 0.00 -0.63 -2.77 119.26 116.32 2fww h ALA 170 Ca 0.33 -0.09 0.02 0.00 0.00 0.00 0.00 54.91 55.18 2fww h ALA 170 Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2fww h ALA 170 CO -0.07 -0.26 0.10 0.87 0.00 0.00 0.00 179.25 179.89 2fww h LYS 171 N 0.07 0.22 -0.08 0.00 1.57 -0.10 -1.18 116.57 117.07 2fww h LYS 171 Ca 0.04 -0.01 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2fww h LYS 171 Cb 0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 32.23 32.40 2fww h LYS 171 CO -0.00 0.15 0.19 1.88 -0.57 0.00 0.00 179.45 181.09 2fww h TYR 172 N 0.23 0.00 0.00 -1.35 -1.99 -0.58 0.14 116.97 113.41 2fww h TYR 172 Ca 0.10 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.83 2fww h TYR 172 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.78 2fww h TYR 172 CO -0.11 0.00 -0.25 0.72 -0.00 0.00 0.00 178.16 178.52 2fww n HIS 173 N -3.30 0.78 -2.58 4.88 8.25 -0.46 -4.55 115.22 118.24 2fww n HIS 173 Ca -0.01 0.23 -0.43 0.00 -0.26 0.00 0.00 57.72 57.25 2fww n HIS 173 Cb 0.27 -0.83 -0.02 0.00 1.12 0.00 0.00 29.99 30.53 2fww n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 2fww s LEU 173 N -4.41 4.13 0.00 2.41 1.43 0.48 -2.77 118.68 119.96 2fww s LEU 173 Ca 0.09 1.49 0.00 0.00 -1.03 0.00 0.00 54.13 54.68 2fww s LEU 173 Cb 0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2fww s LEU 173 CO 0.65 -0.69 0.00 0.61 0.23 0.00 0.00 176.35 177.15 2fww n GLY 173 N 3.40 0.57 3.28 -3.19 0.00 -1.26 -5.03 105.19 102.96 2fww n GLY 173 Ca 0.12 -0.54 -0.15 0.00 0.00 0.00 0.00 46.02 45.45 2fww n GLY 173 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fww s ALA 173 N -2.00 1.61 -0.35 4.61 0.00 -1.11 -5.05 121.76 119.47 2fww s ALA 173 Ca 0.00 -1.55 0.23 0.00 0.00 0.00 0.00 51.96 50.64 2fww s ALA 173 Cb 0.00 0.03 0.17 0.00 0.00 0.00 0.00 23.12 23.32 2fww s ALA 173 CO 0.00 -0.06 1.31 1.88 0.00 0.00 0.00 175.76 178.90 2fww h TYR 173 N 2.71 0.00 -2.16 0.00 0.05 -1.94 -3.47 116.97 112.17 2fww h TYR 173 Ca -0.37 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 57.81 2fww h TYR 173 Cb 1.20 0.00 0.05 0.00 1.01 0.00 0.00 36.73 38.99 2fww h TYR 173 CO 0.66 0.00 0.83 2.41 -1.05 0.00 0.00 178.16 181.01 2fww n THR 173 N -2.84 0.12 0.00 -2.88 -1.04 -1.26 -5.17 114.28 101.21 2fww n THR 173 Ca 0.02 -0.02 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2fww n THR 173 Cb 0.54 -1.53 0.00 0.00 -1.82 0.00 0.00 70.33 67.52 2fww n THR 173 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2fww n GLY 173 N 3.54 -3.04 0.00 3.41 0.00 -1.26 -4.91 105.19 102.93 2fww n GLY 173 Ca 0.18 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.54 2fww n GLY 173 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fww n ASP 173 N 0.00 0.00 -4.66 1.61 10.43 -1.26 -4.76 116.55 117.92 2fww n ASP 173 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 2fww n ASP 173 Cb 0.00 0.00 -0.06 0.00 1.84 0.00 0.00 41.12 42.90 2fww n ASP 173 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2fww s VAL 173 N 0.00 4.98 0.30 2.53 1.01 -1.26 -5.02 120.40 122.94 2fww s VAL 173 Ca 0.00 1.27 -0.29 0.00 0.00 0.00 0.00 61.98 62.96 2fww s VAL 173 Cb 0.00 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.30 2fww s VAL 173 CO 0.00 0.08 1.27 -0.13 0.00 0.00 0.00 175.10 176.31 2fww s ARG 174 N 2.07 4.42 0.00 2.72 1.81 -1.26 -4.92 118.95 123.79 2fww s ARG 174 Ca 0.30 2.11 0.00 0.00 -1.72 0.00 0.00 55.73 56.42 2fww s ARG 174 Cb -0.16 -3.11 0.00 0.00 -0.45 0.00 0.00 34.95 31.23 2fww s ARG 174 CO 0.10 -0.12 0.00 -0.89 -0.68 0.00 0.00 175.30 173.71 2fww n ILE 175 N 1.20 0.00 -3.13 1.52 5.41 -1.26 -4.89 119.36 118.20 2fww n ILE 175 Ca 0.01 0.00 -0.44 0.00 1.00 0.00 0.00 62.75 63.32 2fww n ILE 175 Cb 0.42 -1.39 -0.06 0.00 -0.71 0.00 0.00 39.64 37.91 2fww n ILE 175 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2fww s VAL 176 N -2.00 4.84 0.66 1.39 1.01 -1.26 -5.00 120.40 120.04 2fww s VAL 176 Ca 0.00 -0.67 -0.09 0.00 0.00 0.00 0.00 61.98 61.22 2fww s VAL 176 Cb 0.00 -4.38 0.01 0.00 0.00 0.00 0.00 36.38 32.02 2fww s VAL 176 CO 0.00 -0.94 1.02 -0.13 0.00 0.00 0.00 175.10 175.05 2fww s ARG 177 N 2.68 2.87 0.57 2.72 0.52 -1.26 -4.80 118.95 122.25 2fww s ARG 177 Ca 0.14 0.27 0.35 0.00 -0.52 0.00 0.00 55.73 55.97 2fww s ARG 177 Cb -0.21 -2.12 1.90 0.00 0.52 0.00 0.00 34.95 35.04 2fww s ARG 177 CO 0.10 -0.91 2.06 -0.44 0.02 0.00 0.00 175.30 176.14 2fww h ASP 178 N -0.47 0.00 -0.62 0.23 3.32 -1.99 -0.15 116.42 116.74 2fww h ASP 178 Ca -0.45 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2fww h ASP 178 Cb 1.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.81 2fww h ASP 178 CO 0.63 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.25 2fww n ASP 179 N -2.79 4.52 -4.63 6.45 5.75 -1.26 -4.90 116.55 119.69 2fww n ASP 179 Ca -0.02 -2.41 -0.25 0.00 -0.01 0.00 0.00 54.79 52.10 2fww n ASP 179 Cb 0.13 -0.56 -0.09 0.00 -1.03 0.00 0.00 41.12 39.57 2fww n ASP 179 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2fww s MET 180 N -1.81 2.05 0.09 0.11 -1.94 -0.07 -1.72 119.30 116.01 2fww s MET 180 Ca 0.49 -1.83 -0.07 0.00 -1.71 0.00 0.00 55.69 52.57 2fww s MET 180 Cb 0.31 -1.87 -0.01 0.00 2.01 0.00 0.00 34.83 35.27 2fww s MET 180 CO 0.24 0.08 0.15 -1.17 -0.01 0.00 0.00 175.02 174.31 2fww s LEU 181 N -3.73 1.59 -0.04 -0.03 0.20 0.18 -4.52 118.68 112.33 2fww s LEU 181 Ca 0.35 -0.74 -0.09 0.00 0.69 0.00 0.00 54.13 54.35 2fww s LEU 181 Cb 0.02 0.88 0.02 0.00 -0.43 0.00 0.00 46.19 46.67 2fww s LEU 181 CO 0.19 -0.72 0.21 0.00 -0.29 0.00 0.00 176.35 175.75 2fww s ALA 183 N -0.65 -0.47 0.00 0.00 0.00 -0.74 -1.02 121.76 118.88 2fww s ALA 183 Ca -0.07 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2fww s ALA 183 Cb -0.04 0.68 0.00 0.00 0.00 0.00 0.00 23.12 23.76 2fww s ALA 183 CO 0.01 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 175.57 2fww n GLY 184 N -0.18 1.74 0.00 0.00 0.00 -0.84 -2.01 105.19 103.89 2fww n GLY 184 Ca -0.13 -2.16 0.00 0.00 0.00 0.00 0.00 46.02 43.73 2fww n GLY 184 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2fww n ASN 185 N 0.00 0.00 0.00 1.61 0.23 -0.38 -4.66 115.26 112.06 2fww n ASN 185 Ca 0.00 -0.32 0.12 0.00 -0.53 0.00 0.00 54.58 53.85 2fww n ASN 185 Cb 0.00 0.00 0.72 0.00 -2.08 0.00 0.00 39.78 38.42 2fww n ASN 185 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2fww n THR 186 N 0.00 0.00 0.00 5.53 -2.24 -1.26 -3.53 114.28 112.78 2fww n THR 186 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2fww n THR 186 Cb 0.00 -0.60 0.00 0.00 -2.10 0.00 0.00 70.33 67.63 2fww n THR 186 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2fww n ARG 187 N -0.99 3.69 -4.86 -0.78 1.74 -1.26 -4.74 116.66 109.45 2fww n ARG 187 Ca 0.18 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 57.00 2fww n ARG 187 Cb 0.08 -0.98 -0.16 0.00 -1.02 0.00 0.00 32.46 30.39 2fww n ARG 187 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2fww s ARG 188 N -1.95 1.67 0.00 5.56 0.52 -1.23 -3.45 118.95 120.06 2fww s ARG 188 Ca 0.00 -0.63 0.00 0.00 -0.52 0.00 0.00 55.73 54.58 2fww s ARG 188 Cb 0.00 -1.51 0.00 0.00 0.52 0.00 0.00 34.95 33.96 2fww s ARG 188 CO 0.00 0.31 0.00 -3.47 0.02 0.00 0.00 175.30 172.16 2fww n ASP 189 N 2.93 0.00 -4.91 0.23 2.03 -1.14 -1.25 116.55 114.44 2fww n ASP 189 Ca -0.17 0.00 -0.27 0.00 0.52 0.00 0.00 54.79 54.87 2fww n ASP 189 Cb 0.53 0.00 0.04 0.00 -0.72 0.00 0.00 41.12 40.97 2fww n ASP 189 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2fww s SER 190 N 0.00 5.48 0.32 1.67 1.04 -1.26 -0.89 113.70 120.07 2fww s SER 190 Ca 0.00 0.75 0.05 0.00 0.48 0.00 0.00 55.95 57.24 2fww s SER 190 Cb 0.00 -1.67 -0.03 0.00 0.10 0.00 0.00 66.02 64.42 2fww s SER 190 CO 0.00 -1.17 0.30 0.00 0.98 0.00 0.00 173.24 173.35 2fww n GLN 192 N -0.59 1.70 0.00 0.00 3.00 -1.26 -0.87 117.38 119.35 2fww n GLN 192 Ca 0.06 0.62 0.00 0.00 -0.01 0.00 0.00 57.00 57.67 2fww n GLN 192 Cb 0.62 -2.33 0.00 0.00 0.00 0.00 0.00 30.24 28.53 2fww n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2fww n GLY 193 N 3.08 2.91 0.11 1.08 0.00 -1.26 -0.12 105.19 111.00 2fww n GLY 193 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2fww n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2fww n ASP 194 N 0.00 0.82 -4.01 1.61 8.00 -0.05 -3.84 116.55 119.07 2fww n ASP 194 Ca 0.00 0.32 -0.44 0.00 0.71 0.00 0.00 54.79 55.38 2fww n ASP 194 Cb 0.00 0.51 -0.03 0.00 -0.02 0.00 0.00 41.12 41.58 2fww n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2fww n SER 195 N -2.66 -1.21 0.00 -2.24 7.64 -1.26 -0.35 113.62 113.54 2fww n SER 195 Ca -0.00 1.02 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2fww n SER 195 Cb 0.55 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.89 2fww n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2fww n GLY 196 N 1.84 2.84 3.77 0.23 0.00 -0.35 -0.05 105.19 113.46 2fww n GLY 196 Ca 0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.88 2fww n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2fww s GLY 197 N -2.00 1.63 0.34 -0.02 0.00 0.52 -3.05 107.32 104.75 2fww s GLY 197 Ca 0.00 -0.07 -0.15 0.00 0.00 0.00 0.00 44.72 44.50 2fww s GLY 197 CO 0.00 0.36 0.76 2.56 0.00 0.00 0.00 173.10 176.78 2fww s PRO 198 N -5.03 3.99 -0.25 2.90 0.04 -1.26 -0.83 135.00 134.56 2fww s PRO 198 Ca 0.62 0.68 0.03 0.00 0.04 0.00 0.00 61.00 62.36 2fww s PRO 198 Cb -0.16 -2.41 0.06 0.00 0.04 0.00 0.00 34.50 32.03 2fww s PRO 198 CO 0.56 0.12 -0.11 -1.17 0.04 0.00 0.00 177.00 176.43 2fww s LEU 199 N -3.11 3.30 0.07 -3.56 0.20 -0.09 -3.53 118.68 111.96 2fww s LEU 199 Ca 0.54 -1.33 0.09 0.00 0.69 0.00 0.00 54.13 54.12 2fww s LEU 199 Cb -0.10 -1.52 -0.03 0.00 -0.43 0.00 0.00 46.19 44.11 2fww s LEU 199 CO 0.19 -0.18 -0.24 0.68 -0.29 0.00 0.00 176.35 176.51 2fww s VAL 200 N 1.14 2.38 -0.00 1.68 -7.23 0.12 -0.34 120.40 118.15 2fww s VAL 200 Ca -0.08 -1.45 0.03 0.00 -1.81 0.00 0.00 61.98 58.67 2fww s VAL 200 Cb -0.19 -1.99 -0.01 0.00 0.56 0.00 0.00 36.38 34.74 2fww s VAL 200 CO -0.06 0.26 -0.10 0.00 -0.31 0.00 0.00 175.10 174.90 2fww s LYS 202 N -0.37 3.68 -0.24 0.00 2.20 -1.25 0.23 119.74 123.98 2fww s LYS 202 Ca 0.03 -0.09 0.01 0.00 -0.36 0.00 0.00 55.97 55.55 2fww s LYS 202 Cb -0.04 -3.79 0.04 0.00 -1.51 0.00 0.00 37.83 32.53 2fww s LYS 202 CO -0.00 -0.61 -0.10 0.08 -0.36 0.00 0.00 175.35 174.36 2fww s VAL 203 N 2.40 2.46 -1.12 4.02 1.01 0.20 -4.71 120.40 124.66 2fww s VAL 203 Ca 0.19 -1.26 -0.06 0.00 0.00 0.00 0.00 61.98 60.85 2fww s VAL 203 Cb -0.15 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.89 2fww s VAL 203 CO 0.13 0.16 0.90 0.59 0.00 0.00 0.00 175.10 176.87 2fww n ASN 204 N 4.57 -4.90 -3.33 3.32 3.02 -1.26 -2.62 115.26 114.06 2fww n ASN 204 Ca -0.16 -0.75 -0.24 0.00 -0.03 0.00 0.00 54.58 53.40 2fww n ASN 204 Cb 0.45 -4.82 0.04 0.00 -0.61 0.00 0.00 39.78 34.85 2fww n ASN 204 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2fww n GLY 205 N -1.31 -0.52 3.34 7.41 0.00 -1.26 -4.98 105.19 107.87 2fww n GLY 205 Ca -0.14 0.16 -0.08 0.00 0.00 0.00 0.00 46.02 45.96 2fww n GLY 205 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2fww s THR 206 N -3.19 -0.56 -0.05 2.61 2.01 -1.08 -5.13 115.64 110.25 2fww s THR 206 Ca 0.43 0.13 -0.30 0.00 0.31 0.00 0.00 61.69 62.26 2fww s THR 206 Cb -0.20 -0.72 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 2fww s THR 206 CO 0.54 0.05 1.21 0.26 -0.69 0.00 0.00 174.62 175.99 2fww s TRP 207 N 2.40 3.19 -0.04 4.92 0.52 -1.26 0.59 118.94 129.26 2fww s TRP 207 Ca -0.04 1.20 0.05 0.00 0.02 0.00 0.00 56.10 57.34 2fww s TRP 207 Cb -0.11 -3.43 -0.01 0.00 -1.15 0.00 0.00 33.47 28.77 2fww s TRP 207 CO -0.14 -1.36 -0.21 -0.51 0.02 0.00 0.00 176.95 174.76 2fww s LEU 208 N 2.17 2.00 -0.50 2.99 1.43 0.13 -3.67 118.68 123.23 2fww s LEU 208 Ca 0.56 -0.41 -0.26 0.00 -1.03 0.00 0.00 54.13 52.99 2fww s LEU 208 Cb -0.25 -1.12 0.03 0.00 0.03 0.00 0.00 46.19 44.88 2fww s LEU 208 CO 0.22 0.21 1.01 -1.58 0.23 0.00 0.00 176.35 176.45 2fww s GLN 209 N -0.17 3.53 0.13 1.70 0.74 -0.64 -0.84 119.66 124.10 2fww s GLN 209 Ca -0.00 0.18 0.10 0.00 0.05 0.00 0.00 55.36 55.69 2fww s GLN 209 Cb -0.11 -3.96 -0.15 0.00 1.10 0.00 0.00 33.01 29.89 2fww s GLN 209 CO 0.02 -1.38 1.21 0.00 -0.55 0.00 0.00 175.29 174.59 2fww h ALA 210 N 9.23 0.49 -2.95 1.58 0.00 -1.04 -3.39 119.26 123.19 2fww h ALA 210 Ca -0.24 -0.88 -0.04 0.00 0.00 0.00 0.00 54.91 53.75 2fww h ALA 210 Cb 1.07 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.78 2fww h ALA 210 CO 1.08 1.14 0.10 0.20 0.00 0.00 0.00 179.25 181.78 2fww s GLY 211 N -4.71 0.42 -0.09 0.00 0.00 -1.06 -1.67 107.32 100.22 2fww s GLY 211 Ca 0.01 -0.75 0.03 0.00 0.00 0.00 0.00 44.72 44.01 2fww s GLY 211 CO 0.80 -0.41 -0.20 0.14 0.00 0.00 0.00 173.10 173.43 2fww s VAL 212 N -3.33 1.76 -0.07 1.40 1.01 -0.88 -0.92 120.40 119.37 2fww s VAL 212 Ca 0.18 -0.84 -0.34 0.00 0.00 0.00 0.00 61.98 60.98 2fww s VAL 212 Cb -0.04 -1.54 -0.12 0.00 0.00 0.00 0.00 36.38 34.69 2fww s VAL 212 CO 0.11 0.49 1.88 0.52 0.00 0.00 0.00 175.10 178.10 2fww n VAL 213 N 3.68 0.57 0.00 2.92 0.31 -0.01 -0.47 118.33 125.33 2fww n VAL 213 Ca -0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 64.34 64.03 2fww n VAL 213 Cb 0.52 -1.89 0.00 0.00 -0.91 0.00 0.00 33.84 31.56 2fww n VAL 213 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2fww n SER 214 N 6.57 0.00 -3.15 4.52 2.88 -0.91 -1.21 113.62 122.32 2fww n SER 214 Ca 0.22 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.65 2fww n SER 214 Cb 0.30 -0.15 -0.01 0.00 -0.75 0.00 0.00 64.21 63.60 2fww n SER 214 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2fww s TRP 215 N -0.83 0.47 0.00 0.66 1.48 -0.95 -4.90 118.94 114.87 2fww s TRP 215 Ca 0.00 -0.95 0.00 0.00 -1.06 0.00 0.00 56.10 54.09 2fww s TRP 215 Cb 0.00 0.45 0.00 0.00 -1.16 0.00 0.00 33.47 32.76 2fww s TRP 215 CO 0.00 -1.36 0.00 0.41 -4.06 0.00 0.00 176.95 171.94 2fww n GLY 216 N -0.53 0.85 2.43 3.67 0.00 -1.26 -1.44 105.19 108.90 2fww n GLY 216 Ca -0.04 -0.48 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 2fww n GLY 216 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2fww n GLU 217 N 0.00 0.36 0.00 1.61 2.13 -1.26 -5.05 120.64 118.43 2fww n GLU 217 Ca 0.00 -2.94 0.00 0.00 0.66 0.00 0.00 57.16 54.88 2fww n GLU 217 Cb 0.00 -1.54 0.00 0.00 0.27 0.00 0.00 31.44 30.17 2fww n GLU 217 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2fww n GLY 219 N 2.53 -1.21 3.66 8.31 0.00 -1.26 -4.67 105.19 112.55 2fww n GLY 219 Ca 0.25 -1.28 -0.43 0.00 0.00 0.00 0.00 46.02 44.56 2fww n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2fww n ALA 221 N 6.52 -1.73 -2.50 0.00 0.00 -1.26 -4.77 120.51 116.78 2fww n ALA 221 Ca 0.14 0.06 -0.36 0.00 0.00 0.00 0.00 53.44 53.28 2fww n ALA 221 Cb 0.45 -3.35 -0.06 0.00 0.00 0.00 0.00 19.45 16.49 2fww n ALA 221 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2fww s GLN 221 N -5.97 3.88 0.23 0.00 -1.52 -1.24 -4.39 119.66 110.65 2fww s GLN 221 Ca 0.25 0.35 -0.32 0.00 -1.95 0.00 0.00 55.36 53.69 2fww s GLN 221 Cb -0.12 -3.09 -0.13 0.00 -0.22 0.00 0.00 33.01 29.46 2fww s GLN 221 CO 0.77 0.60 1.57 -2.30 -0.25 0.00 0.00 175.29 175.68 2fww n PRO 222 N 1.30 2.41 -1.25 2.91 -0.02 -1.26 -1.74 135.00 137.34 2fww n PRO 222 Ca -0.10 0.86 -0.09 0.00 -2.02 0.00 0.00 63.50 62.15 2fww n PRO 222 Cb 0.52 -2.62 -0.04 0.00 -0.02 0.00 0.00 33.50 31.34 2fww n PRO 222 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2fww n ASN 223 N 2.85 -5.28 -3.14 2.55 5.03 -1.26 -4.87 115.26 111.15 2fww n ASN 223 Ca 0.13 0.22 -0.20 0.00 0.87 0.00 0.00 54.58 55.59 2fww n ASN 223 Cb 0.33 -3.54 -0.03 0.00 -1.02 0.00 0.00 39.78 35.52 2fww n ASN 223 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2fww n ARG 224 N -1.11 1.45 -1.40 3.52 5.12 -0.71 -3.36 116.66 120.17 2fww n ARG 224 Ca -0.09 -3.69 -0.34 0.00 -1.93 0.00 0.00 57.85 51.80 2fww n ARG 224 Cb 0.49 -1.81 0.10 0.00 -1.16 0.00 0.00 32.46 30.08 2fww n ARG 224 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2fww s PRO 225 N -2.62 2.07 0.20 5.56 0.04 -1.26 -4.33 135.00 134.66 2fww s PRO 225 Ca 0.42 1.81 -0.32 0.00 0.04 0.00 0.00 61.00 62.94 2fww s PRO 225 Cb 0.33 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.92 2fww s PRO 225 CO -0.09 -1.90 1.63 0.41 0.04 0.00 0.00 177.00 177.09 2fww n GLY 226 N 0.49 1.31 3.71 0.56 0.00 -0.85 -4.81 105.19 105.60 2fww n GLY 226 Ca 0.14 0.61 -0.35 0.00 0.00 0.00 0.00 46.02 46.41 2fww n GLY 226 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2fww s ILE 227 N 0.85 5.19 0.16 -0.61 -1.09 -0.52 -1.79 121.20 123.41 2fww s ILE 227 Ca 0.75 0.11 0.09 0.00 -2.23 0.00 0.00 60.65 59.37 2fww s ILE 227 Cb -0.58 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 36.91 2fww s ILE 227 CO 0.37 0.46 -0.20 -0.31 -1.23 0.00 0.00 174.94 174.04 2fww s TYR 228 N 0.25 1.93 -0.33 3.97 1.51 0.43 -2.14 117.35 122.97 2fww s TYR 228 Ca 0.07 -0.44 -0.29 0.00 -1.01 0.00 0.00 57.07 55.40 2fww s TYR 228 Cb -0.11 -0.97 0.02 0.00 -0.11 0.00 0.00 41.96 40.78 2fww s TYR 228 CO -0.01 0.36 1.07 0.99 -1.11 0.00 0.00 175.55 176.85 2fww s THR 229 N -1.86 4.49 -0.14 -0.71 2.01 0.38 0.48 115.64 120.30 2fww s THR 229 Ca 0.16 1.68 -0.29 0.00 0.31 0.00 0.00 61.69 63.55 2fww s THR 229 Cb -0.07 -4.42 -0.05 0.00 0.01 0.00 0.00 72.50 67.97 2fww s THR 229 CO 0.07 -0.51 1.89 -0.60 -0.69 0.00 0.00 174.62 174.78 2fww s ARG 230 N 3.69 3.72 0.12 4.92 3.52 -0.70 -2.07 118.95 132.15 2fww s ARG 230 Ca 0.45 2.06 -0.18 0.00 -0.13 0.00 0.00 55.73 57.93 2fww s ARG 230 Cb -0.12 -4.17 -0.04 0.00 -1.56 0.00 0.00 34.95 29.07 2fww s ARG 230 CO 0.16 -1.42 1.71 0.28 -0.81 0.00 0.00 175.30 175.22 2fww h VAL 231 N 6.27 1.15 -0.87 7.11 2.07 -1.61 -3.08 116.25 127.29 2fww h VAL 231 Ca -0.41 -0.41 0.22 0.00 0.82 0.00 0.00 66.70 66.93 2fww h VAL 231 Cb 1.20 0.85 -0.13 0.00 -1.52 0.00 0.00 31.29 31.70 2fww h VAL 231 CO 0.97 0.15 0.31 0.71 0.02 0.00 0.00 177.57 179.73 2fww h THR 232 N 0.37 0.41 -0.21 2.57 1.35 -1.87 0.54 112.91 116.06 2fww h THR 232 Ca 0.11 -0.10 0.06 0.00 -0.55 0.00 0.00 66.41 65.92 2fww h THR 232 Cb 0.10 0.08 -0.01 0.00 -1.73 0.00 0.00 68.15 66.59 2fww h THR 232 CO -0.01 0.05 0.20 0.22 -0.25 0.00 0.00 175.52 175.73 2fww h TYR 233 N 0.30 0.00 -0.13 4.73 5.03 -1.91 -2.71 116.97 122.28 2fww h TYR 233 Ca 0.54 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.85 2fww h TYR 233 Cb 1.06 0.00 0.00 0.00 1.55 0.00 0.00 36.73 39.34 2fww h TYR 233 CO -0.20 0.00 0.00 0.66 -1.32 0.00 0.00 178.16 177.30 2fww n TYR 234 N -3.96 0.41 -0.17 -3.82 4.01 0.16 -4.71 117.16 109.08 2fww n TYR 234 Ca 0.02 -0.87 -0.02 0.00 -0.16 0.00 0.00 57.90 56.87 2fww n TYR 234 Cb 0.33 -0.20 0.08 0.00 -0.31 0.00 0.00 39.34 39.24 2fww n TYR 234 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2fww h LEU 235 N 0.88 0.15 -0.76 7.72 3.38 -1.28 -0.22 115.31 125.18 2fww h LEU 235 Ca 0.00 0.07 0.09 0.00 0.09 0.00 0.00 57.88 58.13 2fww h LEU 235 Cb 1.11 0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.86 2fww h LEU 235 CO 0.09 0.11 0.41 0.44 0.09 0.00 0.00 178.44 179.57 2fww h ASP 236 N 0.34 0.56 -0.41 -0.43 3.45 -1.84 0.15 116.42 118.24 2fww h ASP 236 Ca 0.26 0.05 -0.10 0.00 0.43 0.00 0.00 57.03 57.67 2fww h ASP 236 Cb 0.31 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.02 2fww h ASP 236 CO -0.28 0.32 -0.15 -0.25 -1.57 0.00 0.00 179.24 177.31 2fww h TRP 237 N 0.69 0.94 -0.74 4.55 7.01 -1.66 -2.82 115.95 123.92 2fww h TRP 237 Ca 0.37 -0.22 -0.05 0.00 2.11 0.00 0.00 58.89 61.09 2fww h TRP 237 Cb 0.35 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 27.16 2fww h TRP 237 CO -0.08 0.97 0.25 0.82 -2.79 0.00 0.00 178.44 177.61 2fww h ILE 238 N 0.64 1.26 0.00 2.65 2.04 -0.28 -2.55 117.51 121.27 2fww h ILE 238 Ca 0.10 -0.86 0.00 0.00 1.00 0.00 0.00 64.86 65.09 2fww h ILE 238 Cb 0.70 0.42 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2fww h ILE 238 CO 0.05 0.34 0.00 1.41 0.00 0.00 0.00 178.15 179.95 2fww n HIS 239 N -4.26 0.00 0.32 1.37 8.25 0.47 -0.62 115.22 120.74 2fww n HIS 239 Ca 0.06 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.68 2fww n HIS 239 Cb 0.21 -0.35 0.67 0.00 1.12 0.00 0.00 29.99 31.64 2fww n HIS 239 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 2fww h HIS 240 N 0.00 0.00 0.00 4.41 3.86 -1.20 -3.36 115.15 118.87 2fww h HIS 240 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2fww h HIS 240 Cb 0.31 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.78 2fww h HIS 240 CO 0.00 0.00 -0.76 0.66 0.86 0.00 0.00 177.93 178.69 2fww n TYR 241 N -2.75 -0.01 -2.64 2.45 4.01 -1.07 -5.02 117.16 112.13 2fww n TYR 241 Ca 0.01 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.32 2fww n TYR 241 Cb 0.24 0.11 -0.02 0.00 -0.31 0.00 0.00 39.34 39.36 2fww n TYR 241 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2fww s VAL 242 N -2.00 4.29 0.70 -0.72 1.01 0.21 -5.02 120.40 118.87 2fww s VAL 242 Ca 0.00 1.23 -0.16 0.00 0.00 0.00 0.00 61.98 63.05 2fww s VAL 242 Cb 0.00 -4.55 0.02 0.00 0.00 0.00 0.00 36.38 31.85 2fww s VAL 242 CO 0.00 -0.90 1.21 -2.16 0.00 0.00 0.00 175.10 173.25 2fww s PRO 243 N 4.22 2.33 0.00 2.72 0.04 -1.26 -4.35 135.00 138.70 2fww s PRO 243 Ca 0.46 1.77 0.23 0.00 0.04 0.00 0.00 61.00 63.50 2fww s PRO 243 Cb -0.08 -1.85 1.39 0.00 0.04 0.00 0.00 34.50 33.99 2fww s PRO 243 CO 0.28 -1.69 1.76 1.63 0.04 0.00 0.00 177.00 179.02