#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2whx s VAL 22 N 0.00 5.08 -0.02 1.61 1.01 -1.26 -0.17 120.40 126.64 2whx s VAL 22 Ca 0.00 0.08 0.07 0.00 0.00 0.00 0.00 61.98 62.13 2whx s VAL 22 Cb 0.00 -3.35 -0.02 0.00 0.00 0.00 0.00 36.38 33.01 2whx s VAL 22 CO 0.00 0.36 -0.24 -0.31 0.00 0.00 0.00 175.10 174.91 2whx s TYR 23 N 1.04 2.18 0.00 5.22 1.51 0.38 -5.00 117.35 122.68 2whx s TYR 23 Ca 0.06 -0.43 -0.30 0.00 -1.01 0.00 0.00 57.07 55.40 2whx s TYR 23 Cb -0.14 -1.41 -0.03 0.00 -0.11 0.00 0.00 41.96 40.27 2whx s TYR 23 CO 0.04 -0.05 1.02 1.03 -1.11 0.00 0.00 175.55 176.48 2whx s ARG 24 N -0.55 4.53 -0.32 -0.62 0.52 -1.26 -0.95 118.95 120.30 2whx s ARG 24 Ca 0.09 1.48 -0.13 0.00 -0.52 0.00 0.00 55.73 56.64 2whx s ARG 24 Cb -0.10 -3.45 -0.03 0.00 0.52 0.00 0.00 34.95 31.90 2whx s ARG 24 CO -0.01 -0.10 0.25 -1.50 0.02 0.00 0.00 175.30 173.96 2whx s ILE 25 N 1.08 5.27 0.13 1.52 2.07 -0.96 -4.93 121.20 125.38 2whx s ILE 25 Ca 0.53 -0.06 0.04 0.00 -1.41 0.00 0.00 60.65 59.75 2whx s ILE 25 Cb -0.22 -3.69 -0.04 0.00 0.13 0.00 0.00 42.46 38.64 2whx s ILE 25 CO 0.28 0.05 0.15 -0.04 -1.91 0.00 0.00 174.94 173.46 2whx s MET 26 N 1.79 3.02 -0.17 3.50 -1.94 -1.26 -1.33 119.30 122.91 2whx s MET 26 Ca 0.07 -0.75 0.00 0.00 -1.71 0.00 0.00 55.69 53.31 2whx s MET 26 Cb -0.17 -2.75 0.01 0.00 2.01 0.00 0.00 34.83 33.93 2whx s MET 26 CO 0.11 0.52 -0.17 -1.14 -0.01 0.00 0.00 175.02 174.33 2whx s GLN 27 N -2.89 3.11 -0.01 2.03 0.74 0.13 -4.88 119.66 117.88 2whx s GLN 27 Ca 0.31 -0.79 -0.30 0.00 0.05 0.00 0.00 55.36 54.64 2whx s GLN 27 Cb -0.11 -2.62 -0.04 0.00 1.10 0.00 0.00 33.01 31.34 2whx s GLN 27 CO 0.24 -0.12 1.17 0.50 -0.55 0.00 0.00 175.29 176.54 2whx s ARG 28 N 1.11 4.40 0.00 1.67 6.06 -1.26 -2.16 118.95 128.77 2whx s ARG 28 Ca 0.00 1.67 0.00 0.00 -2.50 0.00 0.00 55.73 54.91 2whx s ARG 28 Cb -0.14 -3.48 0.00 0.00 0.06 0.00 0.00 34.95 31.39 2whx s ARG 28 CO -0.06 -0.35 0.00 0.41 -2.50 0.00 0.00 175.30 172.80 2whx n GLY 29 N 3.27 1.10 0.34 8.12 0.00 -0.82 -4.99 105.19 112.21 2whx n GLY 29 Ca 0.10 -1.92 -0.06 0.00 0.00 0.00 0.00 46.02 44.14 2whx n GLY 29 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2whx h LEU 30 N 0.00 1.10 -0.01 0.99 3.38 -2.05 -3.39 115.31 115.32 2whx h LEU 30 Ca 0.00 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2whx h LEU 30 Cb 0.00 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 40.46 2whx h LEU 30 CO 0.00 0.99 0.00 2.22 0.09 0.00 0.00 178.44 181.74 2whx n PHE 31 N -4.27 0.00 -3.63 1.13 -1.74 -1.26 -5.13 117.46 102.56 2whx n PHE 31 Ca 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.95 2whx n PHE 31 Cb 0.20 0.02 -0.00 0.00 1.52 0.00 0.00 39.48 41.22 2whx n PHE 31 CO 0.00 0.00 0.00 0.41 -0.56 0.00 0.00 176.76 176.61 2whx n GLY 32 N 0.00 3.29 3.63 4.97 0.00 -1.26 -5.16 105.19 110.65 2whx n GLY 32 Ca 0.00 -2.18 -0.07 0.00 0.00 0.00 0.00 46.02 43.76 2whx n GLY 32 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx s LYS 33 N -2.09 0.70 0.03 1.61 -0.14 -1.26 -1.94 119.74 116.66 2whx s LYS 33 Ca 0.01 1.20 0.05 0.00 -1.36 0.00 0.00 55.97 55.87 2whx s LYS 33 Cb -0.00 0.15 -0.02 0.00 -1.68 0.00 0.00 37.83 36.28 2whx s LYS 33 CO 0.01 -0.15 -0.15 0.95 -0.76 0.00 0.00 175.35 175.25 2whx s THR 34 N 1.57 1.18 -0.10 2.17 -4.23 -0.92 -4.94 115.64 110.37 2whx s THR 34 Ca -0.09 -0.98 -0.30 0.00 -1.18 0.00 0.00 61.69 59.14 2whx s THR 34 Cb -0.05 -1.05 -0.01 0.00 1.34 0.00 0.00 72.50 72.72 2whx s THR 34 CO -0.19 0.07 1.01 -1.58 -0.54 0.00 0.00 174.62 173.39 2whx s GLN 35 N -1.05 4.42 0.00 3.99 0.74 -1.26 0.18 119.66 126.69 2whx s GLN 35 Ca 0.03 1.40 0.13 0.00 0.05 0.00 0.00 55.36 56.96 2whx s GLN 35 Cb -0.08 -3.54 0.05 0.00 1.10 0.00 0.00 33.01 30.54 2whx s GLN 35 CO 0.01 -0.32 0.81 1.33 -0.55 0.00 0.00 175.29 176.58 2whx n VAL 36 N 4.55 0.00 -3.67 1.34 0.24 -0.44 -4.61 118.33 115.73 2whx n VAL 36 Ca 0.09 -0.43 0.00 0.00 -2.04 0.00 0.00 64.34 61.96 2whx n VAL 36 Cb 0.49 1.21 0.00 0.00 -1.47 0.00 0.00 33.84 34.06 2whx n VAL 36 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2whx n GLY 37 N 0.87 -0.91 2.96 7.63 0.00 -1.20 -4.67 105.19 109.88 2whx n GLY 37 Ca 0.06 -1.02 -0.11 0.00 0.00 0.00 0.00 46.02 44.95 2whx n GLY 37 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whx s VAL 38 N -3.00 0.20 0.18 1.61 1.01 0.08 -2.27 120.40 118.21 2whx s VAL 38 Ca 0.00 -0.60 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 2whx s VAL 38 Cb 0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 36.07 2whx s VAL 38 CO 0.00 -0.26 0.08 -0.83 0.00 0.00 0.00 175.10 174.09 2whx s GLY 39 N -0.91 1.31 -0.07 4.51 0.00 -0.13 -4.26 107.32 107.77 2whx s GLY 39 Ca -0.08 -1.64 0.01 0.00 0.00 0.00 0.00 44.72 43.01 2whx s GLY 39 CO -0.00 -1.44 -0.09 -0.42 0.00 0.00 0.00 173.10 171.14 2whx s ILE 40 N -3.97 0.94 0.39 0.90 1.01 0.12 -0.47 121.20 120.12 2whx s ILE 40 Ca 0.31 -0.32 0.03 0.00 0.00 0.00 0.00 60.65 60.67 2whx s ILE 40 Cb 0.07 -0.92 -0.01 0.00 0.01 0.00 0.00 42.46 41.62 2whx s ILE 40 CO 0.08 0.33 0.56 -2.28 0.00 0.00 0.00 174.94 173.63 2whx s HIS 41 N 1.06 3.18 0.13 3.97 2.46 0.76 0.00 115.29 126.85 2whx s HIS 41 Ca -0.08 0.01 0.00 0.00 0.47 0.00 0.00 55.06 55.47 2whx s HIS 41 Cb -0.14 -2.13 0.00 0.00 -0.13 0.00 0.00 32.58 30.17 2whx s HIS 41 CO -0.01 -0.16 0.00 -1.33 -2.47 0.00 0.00 174.74 170.77 2whx n MET 42 N -1.85 0.00 -0.53 2.88 2.81 -1.22 -4.51 117.12 114.71 2whx n MET 42 Ca 0.00 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 2whx n MET 42 Cb 0.58 -0.25 0.00 0.00 -0.71 0.00 0.00 33.22 32.84 2whx n MET 42 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2whx n GLU 43 N -3.24 3.04 -1.78 0.03 1.02 -1.26 -5.02 120.64 113.43 2whx n GLU 43 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2whx n GLU 43 Cb 0.08 0.00 0.05 0.00 -0.02 0.00 0.00 31.44 31.55 2whx n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2whx n GLY 44 N 5.00 5.82 3.10 0.62 0.00 -1.26 -5.08 105.19 113.38 2whx n GLY 44 Ca 0.00 -2.47 -0.27 0.00 0.00 0.00 0.00 46.02 43.27 2whx n GLY 44 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2whx s VAL 45 N -4.99 1.49 -0.23 1.61 1.01 -1.26 -4.42 120.40 113.61 2whx s VAL 45 Ca 0.56 -0.68 -0.14 0.00 0.00 0.00 0.00 61.98 61.71 2whx s VAL 45 Cb 0.46 -1.33 -0.04 0.00 0.00 0.00 0.00 36.38 35.47 2whx s VAL 45 CO -0.19 0.43 0.34 0.12 0.00 0.00 0.00 175.10 175.80 2whx s PHE 46 N 0.56 3.32 -0.13 5.22 5.36 0.40 -3.37 117.98 129.33 2whx s PHE 46 Ca -0.16 0.46 -0.00 0.00 -0.96 0.00 0.00 56.93 56.27 2whx s PHE 46 Cb -0.17 -2.48 -0.01 0.00 -0.34 0.00 0.00 43.02 40.02 2whx s PHE 46 CO 0.05 -0.07 -0.13 -1.01 -1.46 0.00 0.00 175.22 172.60 2whx s HIS 47 N 1.51 2.81 0.06 10.12 3.76 0.10 -0.15 115.29 133.51 2whx s HIS 47 Ca 0.15 -0.67 -0.01 0.00 -0.15 0.00 0.00 55.06 54.38 2whx s HIS 47 Cb -0.15 -1.85 0.00 0.00 1.11 0.00 0.00 32.58 31.70 2whx s HIS 47 CO 0.08 -0.23 0.10 -2.37 -0.85 0.00 0.00 174.74 171.47 2whx n THR 48 N 3.57 0.00 -3.95 1.30 5.66 -0.87 0.14 114.28 120.14 2whx n THR 48 Ca -0.18 -0.26 -0.33 0.00 -3.05 0.00 0.00 64.05 60.22 2whx n THR 48 Cb 0.53 0.18 -0.05 0.00 -1.55 0.00 0.00 70.33 69.43 2whx n THR 48 CO 0.00 0.00 0.00 -0.04 -3.05 0.00 0.00 175.07 171.98 2whx s MET 49 N -2.10 3.34 0.19 1.09 -1.94 -1.26 -1.60 119.30 117.02 2whx s MET 49 Ca 0.04 -0.35 -0.13 0.00 -1.71 0.00 0.00 55.69 53.55 2whx s MET 49 Cb -0.00 -3.04 0.21 0.00 2.01 0.00 0.00 34.83 34.01 2whx s MET 49 CO 0.03 0.67 1.70 2.35 -0.01 0.00 0.00 175.02 179.76 2whx h TRP 50 N 3.96 0.08 0.00 -0.03 2.91 -1.77 -2.39 115.95 118.72 2whx h TRP 50 Ca -0.49 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.56 2whx h TRP 50 Cb 1.19 0.04 0.00 0.00 -0.51 0.00 0.00 29.16 29.88 2whx h TRP 50 CO 0.67 -0.06 0.00 -2.39 -1.03 0.00 0.00 178.44 175.63 2whx n HIS 51 N -5.17 0.78 -0.02 2.65 1.44 -1.26 -0.36 115.22 113.27 2whx n HIS 51 Ca 0.06 0.34 -0.16 0.00 -2.01 0.00 0.00 57.72 55.95 2whx n HIS 51 Cb 0.27 -1.05 -0.09 0.00 0.12 0.00 0.00 29.99 29.24 2whx n HIS 51 CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 2whx h VAL 52 N 0.00 1.38 0.00 0.61 2.07 -1.74 -3.39 116.25 115.17 2whx h VAL 52 Ca 0.00 -1.87 -0.21 0.00 0.82 0.00 0.00 66.70 65.45 2whx h VAL 52 Cb 0.22 2.26 -0.04 0.00 -1.52 0.00 0.00 31.29 32.22 2whx h VAL 52 CO 0.00 0.56 -1.78 0.35 0.02 0.00 0.00 177.57 176.72 2whx n THR 53 N -4.23 0.78 -2.82 2.57 -2.24 -0.98 -4.91 114.28 102.45 2whx n THR 53 Ca -0.08 -0.48 -0.20 0.00 -2.27 0.00 0.00 64.05 61.02 2whx n THR 53 Cb 0.61 -0.71 0.01 0.00 -2.10 0.00 0.00 70.33 68.14 2whx n THR 53 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2whx n ARG 54 N -2.43 -3.27 -1.00 -0.78 1.74 0.51 -2.40 116.66 109.02 2whx n ARG 54 Ca -0.19 0.77 -0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2whx n ARG 54 Cb 0.87 -5.50 -0.00 0.00 -1.02 0.00 0.00 32.46 26.81 2whx n ARG 54 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2whx n GLY 55 N -1.17 0.44 3.87 -0.13 0.00 -1.26 -5.05 105.19 101.89 2whx n GLY 55 Ca -0.13 -0.61 -0.30 0.00 0.00 0.00 0.00 46.02 44.98 2whx n GLY 55 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2whx s SER 56 N -2.55 6.35 0.19 1.61 0.01 -1.01 -4.76 113.70 113.55 2whx s SER 56 Ca 0.00 1.30 -0.30 0.00 1.31 0.00 0.00 55.95 58.26 2whx s SER 56 Cb 0.00 -2.41 -0.08 0.00 0.21 0.00 0.00 66.02 63.75 2whx s SER 56 CO 0.00 -0.68 0.98 0.68 0.41 0.00 0.00 173.24 174.63 2whx s VAL 57 N -2.86 4.13 0.12 3.43 -7.23 -1.26 -4.81 120.40 111.92 2whx s VAL 57 Ca 0.53 1.96 0.11 0.00 -1.81 0.00 0.00 61.98 62.78 2whx s VAL 57 Cb -0.11 -4.25 -0.04 0.00 0.56 0.00 0.00 36.38 32.54 2whx s VAL 57 CO 0.44 0.40 -0.26 0.27 -0.31 0.00 0.00 175.10 175.64 2whx s ILE 58 N -0.67 2.30 -0.11 -0.62 -0.00 -1.21 -4.94 121.20 115.96 2whx s ILE 58 Ca 0.44 -1.70 -0.08 0.00 -0.00 0.00 0.00 60.65 59.32 2whx s ILE 58 Cb -0.26 -2.01 0.04 0.00 -0.00 0.00 0.00 42.46 40.22 2whx s ILE 58 CO 0.33 0.12 0.27 0.00 -0.00 0.00 0.00 174.94 175.65 2whx n HIS 60 N 3.47 0.38 -2.98 0.00 -0.00 -1.26 -4.97 115.22 109.86 2whx n HIS 60 Ca -0.18 0.12 -0.00 0.00 -0.00 0.00 0.00 57.72 57.66 2whx n HIS 60 Cb 0.56 -0.74 -0.00 0.00 -0.00 0.00 0.00 29.99 29.81 2whx n HIS 60 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.34 176.73 2whx n GLU 61 N -2.50 -1.72 -5.14 -0.41 -0.58 -1.26 -5.24 120.64 103.79 2whx n GLU 61 Ca -0.06 1.67 -0.32 0.00 -0.42 0.00 0.00 57.16 58.03 2whx n GLU 61 Cb 0.65 -2.87 -0.15 0.00 -0.57 0.00 0.00 31.44 28.50 2whx n GLU 61 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2whx s ARG 64 N -1.22 2.60 -0.21 3.49 3.00 -1.26 -5.35 118.95 120.00 2whx s ARG 64 Ca -0.01 -0.84 0.00 0.00 -1.00 0.00 0.00 55.73 53.89 2whx s ARG 64 Cb 0.00 -2.25 0.03 0.00 0.00 0.00 0.00 34.95 32.73 2whx s ARG 64 CO 0.34 0.43 -0.15 -0.51 0.00 0.00 0.00 175.30 175.41 2whx s LEU 65 N -0.26 2.60 -0.13 -0.88 1.02 0.95 -4.97 118.68 117.01 2whx s LEU 65 Ca -0.00 -0.79 -0.11 0.00 0.02 0.00 0.00 54.13 53.25 2whx s LEU 65 Cb -0.13 -1.55 -0.05 0.00 0.02 0.00 0.00 46.19 44.49 2whx s LEU 65 CO 0.03 -0.06 0.23 -1.61 0.02 0.00 0.00 176.35 174.96 2whx s GLU 66 N 1.28 3.92 0.08 1.70 0.41 -1.26 -3.30 118.70 121.53 2whx s GLU 66 Ca 0.02 0.02 -0.31 0.00 -0.41 0.00 0.00 54.97 54.29 2whx s GLU 66 Cb -0.15 -3.31 -0.08 0.00 -1.78 0.00 0.00 34.13 28.81 2whx s GLU 66 CO -0.09 0.50 1.59 -1.25 -0.49 0.00 0.00 175.26 175.52 2whx s PRO 67 N -0.31 4.22 0.00 0.39 0.04 -1.26 -3.06 135.00 135.02 2whx s PRO 67 Ca 0.16 2.28 0.00 0.00 0.04 0.00 0.00 61.00 63.47 2whx s PRO 67 Cb -0.13 -3.50 0.00 0.00 0.04 0.00 0.00 34.50 30.91 2whx s PRO 67 CO 0.04 -0.68 0.00 -1.13 0.04 0.00 0.00 177.00 175.28 2whx n SER 68 N 5.20 1.69 -3.69 6.66 3.41 -0.97 -4.96 113.62 120.95 2whx n SER 68 Ca 0.15 -0.32 -0.12 0.00 -0.26 0.00 0.00 58.87 58.32 2whx n SER 68 Cb 0.41 0.98 -0.09 0.00 -0.26 0.00 0.00 64.21 65.25 2whx n SER 68 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2whx s TRP 69 N -1.32 -0.63 0.02 7.33 -0.00 -1.19 -2.45 118.94 120.71 2whx s TRP 69 Ca 0.00 1.44 -0.15 0.00 -0.00 0.00 0.00 56.10 57.39 2whx s TRP 69 Cb 0.00 0.25 0.02 0.00 -0.00 0.00 0.00 33.47 33.75 2whx s TRP 69 CO 0.00 -0.31 0.33 0.00 -0.00 0.00 0.00 176.95 176.97 2whx s ALA 70 N 0.65 -0.79 -0.14 5.86 0.00 -1.26 -0.60 121.76 125.47 2whx s ALA 70 Ca -0.03 0.19 -0.03 0.00 0.00 0.00 0.00 51.96 52.09 2whx s ALA 70 Cb -0.05 0.24 0.05 0.00 0.00 0.00 0.00 23.12 23.36 2whx s ALA 70 CO -0.04 -0.37 0.05 -0.51 0.00 0.00 0.00 175.76 174.89 2whx s ASP 71 N -1.80 2.21 0.04 0.00 1.01 0.23 -4.97 116.67 113.39 2whx s ASP 71 Ca -0.08 -0.48 -0.00 0.00 0.71 0.00 0.00 52.55 52.70 2whx s ASP 71 Cb -0.02 -0.39 -0.26 0.00 1.01 0.00 0.00 42.92 43.25 2whx s ASP 71 CO -0.00 -0.29 1.00 1.62 0.21 0.00 0.00 175.17 177.71 2whx h VAL 72 N 6.43 1.33 -0.29 -1.27 3.04 -1.96 0.66 116.25 124.20 2whx h VAL 72 Ca -0.16 -2.98 -0.18 0.00 -1.01 0.00 0.00 66.70 62.37 2whx h VAL 72 Cb 1.13 2.80 0.00 0.00 -2.01 0.00 0.00 31.29 33.21 2whx h VAL 72 CO 0.28 0.84 -0.52 -0.09 -1.01 0.00 0.00 177.57 177.07 2whx h ARG 73 N 0.05 0.86 -0.02 4.17 2.43 -1.96 -3.16 114.38 116.75 2whx h ARG 73 Ca -0.17 -0.54 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 2whx h ARG 73 Cb 1.96 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 31.57 2whx h ARG 73 CO 0.16 1.18 -0.16 0.09 -1.51 0.00 0.00 179.97 179.73 2whx n ASN 74 N -4.04 2.13 -3.03 -3.80 5.03 -1.26 -5.01 115.26 105.28 2whx n ASN 74 Ca -0.04 -1.60 -0.07 0.00 0.87 0.00 0.00 54.58 53.73 2whx n ASN 74 Cb 0.61 0.14 0.03 0.00 -1.02 0.00 0.00 39.78 39.55 2whx n ASN 74 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 2whx n ASP 75 N 0.45 -6.77 -3.89 6.41 2.03 -0.87 -4.95 116.55 108.96 2whx n ASP 75 Ca 0.14 -0.38 -0.11 0.00 0.52 0.00 0.00 54.79 54.96 2whx n ASP 75 Cb 0.47 -4.89 -0.12 0.00 -0.72 0.00 0.00 41.12 35.86 2whx n ASP 75 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2whx s MET 76 N -3.68 0.25 -0.04 -0.67 -1.94 0.17 -3.48 119.30 109.91 2whx s MET 76 Ca 0.23 -0.23 -0.17 0.00 -1.71 0.00 0.00 55.69 53.81 2whx s MET 76 Cb -0.03 0.10 0.03 0.00 2.01 0.00 0.00 34.83 36.95 2whx s MET 76 CO 0.68 -0.05 0.37 -1.50 -0.01 0.00 0.00 175.02 174.52 2whx s ILE 77 N -0.75 0.04 0.03 2.53 2.07 -0.62 0.75 121.20 125.25 2whx s ILE 77 Ca -0.08 -0.34 0.02 0.00 -1.41 0.00 0.00 60.65 58.83 2whx s ILE 77 Cb -0.05 -0.66 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 2whx s ILE 77 CO 0.00 -0.19 -0.06 -0.94 -1.91 0.00 0.00 174.94 171.84 2whx s SER 78 N -1.09 0.68 -0.09 4.50 1.04 0.23 -2.04 113.70 116.93 2whx s SER 78 Ca -0.11 -0.47 0.04 0.00 0.48 0.00 0.00 55.95 55.88 2whx s SER 78 Cb -0.04 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.12 2whx s SER 78 CO 0.04 -0.19 -0.21 -0.31 0.98 0.00 0.00 173.24 173.56 2whx s TYR 79 N -1.20 2.25 0.00 5.02 1.51 0.79 -2.30 117.35 123.41 2whx s TYR 79 Ca -0.09 -0.90 0.00 0.00 -1.01 0.00 0.00 57.07 55.07 2whx s TYR 79 Cb -0.09 -1.53 0.00 0.00 -0.11 0.00 0.00 41.96 40.24 2whx s TYR 79 CO 0.00 -0.37 0.00 0.41 -1.11 0.00 0.00 175.55 174.48 2whx n GLY 80 N 3.58 0.59 0.00 0.71 0.00 -1.17 -0.45 105.19 108.44 2whx n GLY 80 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2whx n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2whx n GLY 81 N -2.00 -1.15 3.74 -0.02 0.00 -1.26 -4.81 105.19 99.69 2whx n GLY 81 Ca 0.00 -1.10 -0.29 0.00 0.00 0.00 0.00 46.02 44.62 2whx n GLY 81 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2whx s GLY 82 N 0.00 1.60 -0.37 -0.02 0.00 -1.26 -4.55 107.32 102.72 2whx s GLY 82 Ca 0.00 -0.24 -0.27 0.00 0.00 0.00 0.00 44.72 44.21 2whx s GLY 82 CO 0.00 0.27 2.24 0.86 0.00 0.00 0.00 173.10 176.47 2whx s TRP 83 N -3.06 1.21 0.10 1.90 -0.11 -0.87 -4.87 118.94 113.24 2whx s TRP 83 Ca 0.63 1.00 -0.10 0.00 1.22 0.00 0.00 56.10 58.85 2whx s TRP 83 Cb -0.17 -3.81 -0.18 0.00 -1.50 0.00 0.00 33.47 27.82 2whx s TRP 83 CO 0.56 -3.21 1.23 0.00 -4.62 0.00 0.00 176.95 170.91 2whx h ARG 84 N 16.80 0.59 -5.94 5.86 2.47 -1.91 -3.42 114.38 128.83 2whx h ARG 84 Ca -0.32 -0.64 -0.60 0.00 -1.26 0.00 0.00 59.98 57.16 2whx h ARG 84 Cb 1.24 0.18 -0.11 0.00 -1.65 0.00 0.00 29.97 29.63 2whx h ARG 84 CO 1.07 1.25 1.20 -0.48 0.56 0.00 0.00 179.97 183.56 2whx s LEU 85 N -7.96 3.74 -0.02 3.04 0.05 -1.26 -4.83 118.68 111.44 2whx s LEU 85 Ca -0.08 -1.25 0.22 0.00 0.05 0.00 0.00 54.13 53.06 2whx s LEU 85 Cb 0.08 -2.53 0.67 0.00 -2.05 0.00 0.00 46.19 42.36 2whx s LEU 85 CO 0.90 -1.51 1.56 0.61 -0.55 0.00 0.00 176.35 177.36 2whx n GLY 86 N 6.15 2.52 3.81 -3.48 0.00 -1.26 -4.84 105.19 108.09 2whx n GLY 86 Ca 0.21 -0.81 -0.34 0.00 0.00 0.00 0.00 46.02 45.07 2whx n GLY 86 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2whx s ASP 87 N -0.98 7.05 0.14 1.61 1.01 -1.26 -5.08 116.67 119.17 2whx s ASP 87 Ca 0.50 1.75 0.04 0.00 0.71 0.00 0.00 52.55 55.55 2whx s ASP 87 Cb 0.27 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2whx s ASP 87 CO 0.32 -0.28 -0.09 -0.54 0.21 0.00 0.00 175.17 174.80 2whx s LYS 88 N -2.79 1.04 0.03 8.23 1.02 -1.26 -4.42 119.74 121.58 2whx s LYS 88 Ca 0.58 -1.45 -0.30 0.00 0.02 0.00 0.00 55.97 54.82 2whx s LYS 88 Cb -0.13 -0.54 -0.05 0.00 -0.52 0.00 0.00 37.83 36.60 2whx s LYS 88 CO 0.17 0.04 1.23 -0.46 -0.92 0.00 0.00 175.35 175.41 2whx s TRP 89 N -3.40 3.30 -1.89 3.18 -0.00 -1.26 -4.92 118.94 113.95 2whx s TRP 89 Ca 0.17 1.21 0.00 0.00 -0.00 0.00 0.00 56.10 57.48 2whx s TRP 89 Cb 0.03 -3.46 0.00 0.00 -0.00 0.00 0.00 33.47 30.05 2whx s TRP 89 CO 0.00 -1.46 0.72 -0.40 -0.00 0.00 0.00 176.95 175.81 2whx n ASP 90 N 4.43 0.08 0.00 5.86 3.85 -1.26 -4.84 116.55 124.67 2whx n ASP 90 Ca 0.10 -1.52 0.00 0.00 -0.71 0.00 0.00 54.79 52.66 2whx n ASP 90 Cb 0.46 -0.04 0.00 0.00 -1.35 0.00 0.00 41.12 40.19 2whx n ASP 90 CO 0.00 0.00 0.00 0.29 -1.01 0.00 0.00 177.20 176.48 2whx n LYS 91 N -0.43 0.00 -0.00 0.11 5.02 -1.26 -4.74 118.16 116.85 2whx n LYS 91 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2whx n LYS 91 Cb 0.02 -1.87 -0.00 0.00 -0.02 0.00 0.00 35.03 33.16 2whx n LYS 91 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2whx n GLU 92 N -2.00 0.01 -2.21 1.97 1.02 -1.26 -5.00 120.64 113.17 2whx n GLU 92 Ca 0.00 0.00 -0.27 0.00 -0.02 0.00 0.00 57.16 56.87 2whx n GLU 92 Cb 0.00 -0.70 0.15 0.00 -0.02 0.00 0.00 31.44 30.86 2whx n GLU 92 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2whx s GLU 93 N -2.01 1.18 0.64 3.49 -1.05 -1.26 -4.97 118.70 114.73 2whx s GLU 93 Ca -0.01 -0.67 -0.12 0.00 -0.15 0.00 0.00 54.97 54.03 2whx s GLU 93 Cb 0.00 -2.06 -0.02 0.00 -0.44 0.00 0.00 34.13 31.61 2whx s GLU 93 CO 0.01 -1.94 1.04 -0.51 0.95 0.00 0.00 175.26 174.81 2whx s ASP 94 N -4.80 5.85 0.14 0.83 1.11 -1.26 -4.57 116.67 113.97 2whx s ASP 94 Ca 0.70 1.55 0.02 0.00 0.18 0.00 0.00 52.55 55.00 2whx s ASP 94 Cb -0.05 -2.49 -0.04 0.00 1.07 0.00 0.00 42.92 41.41 2whx s ASP 94 CO 0.49 -1.13 -0.03 0.68 1.18 0.00 0.00 175.17 176.36 2whx s VAL 95 N -3.02 0.71 -0.19 -1.27 -7.23 -0.72 -4.57 120.40 104.11 2whx s VAL 95 Ca 0.57 -1.97 0.01 0.00 -1.81 0.00 0.00 61.98 58.78 2whx s VAL 95 Cb -0.13 -1.95 0.03 0.00 0.56 0.00 0.00 36.38 34.90 2whx s VAL 95 CO 0.51 -0.63 -0.16 -1.10 -0.31 0.00 0.00 175.10 173.42 2whx s GLN 96 N -3.88 2.56 -0.42 4.82 -0.21 -0.83 -1.54 119.66 120.17 2whx s GLN 96 Ca 0.19 -0.88 -0.29 0.00 0.02 0.00 0.00 55.36 54.41 2whx s GLN 96 Cb 0.06 -2.52 0.02 0.00 1.00 0.00 0.00 33.01 31.57 2whx s GLN 96 CO 0.01 -0.32 1.11 0.08 -2.12 0.00 0.00 175.29 174.05 2whx s VAL 97 N 1.31 4.33 -1.32 1.09 1.01 -0.32 0.91 120.40 127.40 2whx s VAL 97 Ca 0.01 1.41 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 2whx s VAL 97 Cb -0.15 -4.53 0.10 0.00 0.00 0.00 0.00 36.38 31.80 2whx s VAL 97 CO -0.10 -0.81 1.82 -0.11 0.00 0.00 0.00 175.10 175.90 2whx n LEU 98 N 7.46 5.72 -4.66 3.92 7.94 0.60 -1.60 117.00 136.38 2whx n LEU 98 Ca 0.12 -4.19 -0.43 0.00 -1.11 0.00 0.00 56.01 50.41 2whx n LEU 98 Cb 0.48 -1.66 -0.02 0.00 0.53 0.00 0.00 43.42 42.75 2whx n LEU 98 CO 0.67 0.68 1.19 0.00 -1.11 0.00 0.00 177.39 178.82 2whx s ALA 99 N 2.89 3.63 -0.88 1.96 0.00 -0.65 -4.09 121.76 124.62 2whx s ALA 99 Ca 0.48 0.62 -0.08 0.00 0.00 0.00 0.00 51.96 52.98 2whx s ALA 99 Cb 0.06 -3.68 0.23 0.00 0.00 0.00 0.00 23.12 19.73 2whx s ALA 99 CO 0.01 -1.29 0.81 0.42 0.00 0.00 0.00 175.76 175.70 2whx s ILE 100 N 3.77 5.09 0.20 0.00 -1.09 -1.26 -2.25 121.20 125.65 2whx s ILE 100 Ca 0.62 -3.14 -0.28 0.00 -2.23 0.00 0.00 60.65 55.61 2whx s ILE 100 Cb -0.26 -4.14 -0.08 0.00 -1.58 0.00 0.00 42.46 36.40 2whx s ILE 100 CO 0.20 -1.06 0.89 -1.61 -1.23 0.00 0.00 174.94 172.13 2whx s GLU 101 N -0.62 4.74 0.34 2.79 2.02 -1.26 -4.38 118.70 122.33 2whx s GLU 101 Ca 0.23 1.37 -0.29 0.00 0.02 0.00 0.00 54.97 56.31 2whx s GLU 101 Cb -0.11 -3.29 -0.11 0.00 0.10 0.00 0.00 34.13 30.72 2whx s GLU 101 CO -0.08 0.50 1.51 -1.25 0.02 0.00 0.00 175.26 175.95 2whx s PRO 102 N -1.02 4.14 -1.89 0.39 0.04 -1.26 -2.19 135.00 133.21 2whx s PRO 102 Ca 0.40 2.53 0.00 0.00 0.04 0.00 0.00 61.00 63.97 2whx s PRO 102 Cb -0.25 -3.00 0.00 0.00 0.04 0.00 0.00 34.50 31.29 2whx s PRO 102 CO 0.30 -0.53 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2whx n GLY 103 N 1.18 1.73 3.13 0.56 0.00 -1.26 -4.97 105.19 105.56 2whx n GLY 103 Ca 0.04 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 45.81 2whx n GLY 103 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx s LYS 104 N -3.50 0.71 0.44 1.61 1.02 -0.93 -5.15 119.74 113.94 2whx s LYS 104 Ca 0.00 -1.00 -0.24 0.00 0.02 0.00 0.00 55.97 54.76 2whx s LYS 104 Cb 0.00 -0.41 -0.08 0.00 -0.52 0.00 0.00 37.83 36.82 2whx s LYS 104 CO 0.00 0.06 1.16 -0.80 -0.92 0.00 0.00 175.35 174.86 2whx s ASN 105 N -2.10 6.31 0.04 2.83 0.01 -1.26 -4.53 114.94 116.23 2whx s ASN 105 Ca -0.01 2.31 -0.34 0.00 -0.71 0.00 0.00 52.86 54.11 2whx s ASN 105 Cb -0.05 -2.61 -0.13 0.00 0.41 0.00 0.00 41.25 38.87 2whx s ASN 105 CO -0.00 -0.82 1.70 -2.65 -1.51 0.00 0.00 177.10 173.82 2whx n PRO 106 N -0.28 2.08 -4.30 -0.60 -0.02 -1.26 -4.69 135.00 125.93 2whx n PRO 106 Ca 0.06 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 62.01 2whx n PRO 106 Cb 0.48 -2.55 -0.17 0.00 -0.02 0.00 0.00 33.50 31.24 2whx n PRO 106 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2whx s LYS 107 N 2.32 2.08 -0.12 -0.52 1.02 -0.96 -5.01 119.74 118.55 2whx s LYS 107 Ca 0.86 -0.50 -0.27 0.00 0.02 0.00 0.00 55.97 56.08 2whx s LYS 107 Cb -0.71 -1.84 -0.02 0.00 -0.52 0.00 0.00 37.83 34.74 2whx s LYS 107 CO 0.45 -0.12 0.87 -1.01 -0.92 0.00 0.00 175.35 174.62 2whx s HIS 108 N 1.17 3.49 -0.18 3.18 3.76 -1.26 -1.64 115.29 123.80 2whx s HIS 108 Ca -0.03 1.38 0.00 0.00 -0.15 0.00 0.00 55.06 56.26 2whx s HIS 108 Cb -0.14 -3.04 0.04 0.00 1.11 0.00 0.00 32.58 30.55 2whx s HIS 108 CO -0.04 -0.17 -0.07 0.08 -0.85 0.00 0.00 174.74 173.69 2whx s VAL 109 N 1.83 1.32 0.18 -0.90 1.01 -0.63 -4.97 120.40 118.24 2whx s VAL 109 Ca 0.42 -0.79 -0.26 0.00 0.00 0.00 0.00 61.98 61.35 2whx s VAL 109 Cb -0.18 -1.46 -0.08 0.00 0.00 0.00 0.00 36.38 34.66 2whx s VAL 109 CO 0.16 0.14 0.81 -1.58 0.00 0.00 0.00 175.10 174.62 2whx s GLN 110 N 1.54 4.62 0.29 2.72 0.74 -1.26 -1.17 119.66 127.13 2whx s GLN 110 Ca -0.00 1.22 -0.15 0.00 0.05 0.00 0.00 55.36 56.48 2whx s GLN 110 Cb -0.16 -3.27 0.01 0.00 1.10 0.00 0.00 33.01 30.70 2whx s GLN 110 CO -0.08 0.56 0.60 -0.08 -0.55 0.00 0.00 175.29 175.74 2whx s THR 111 N -1.13 0.00 -0.24 -0.34 -1.32 -0.59 -5.00 115.64 107.02 2whx s THR 111 Ca 0.37 -1.24 -0.01 0.00 -1.21 0.00 0.00 61.69 59.60 2whx s THR 111 Cb -0.24 -2.29 0.03 0.00 -1.51 0.00 0.00 72.50 68.49 2whx s THR 111 CO 0.27 0.00 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.86 2whx s LYS 112 N -3.63 2.84 0.76 7.08 2.20 -1.26 -1.76 119.74 125.97 2whx s LYS 112 Ca 0.19 -0.97 -0.11 0.00 -0.36 0.00 0.00 55.97 54.72 2whx s LYS 112 Cb -0.03 -2.94 0.05 0.00 -1.51 0.00 0.00 37.83 33.39 2whx s LYS 112 CO 0.10 -0.38 1.08 -2.14 -0.36 0.00 0.00 175.35 173.65 2whx s PRO 113 N 1.31 2.41 0.32 4.03 0.02 -1.26 -4.76 135.00 137.08 2whx s PRO 113 Ca 0.00 1.00 0.04 0.00 0.02 0.00 0.00 61.00 62.06 2whx s PRO 113 Cb -0.16 -1.93 -0.06 0.00 0.02 0.00 0.00 34.50 32.37 2whx s PRO 113 CO -0.05 -1.49 0.05 0.20 -0.33 0.00 0.00 177.00 175.38 2whx s GLY 114 N -3.61 2.05 -0.15 0.52 0.00 -0.81 -4.96 107.32 100.37 2whx s GLY 114 Ca 0.60 -2.05 -0.05 0.00 0.00 0.00 0.00 44.72 43.22 2whx s GLY 114 CO 0.56 -1.82 0.03 1.08 0.00 0.00 0.00 173.10 172.94 2whx s LEU 115 N -3.49 3.68 0.00 0.66 1.43 -1.26 -2.48 118.68 117.22 2whx s LEU 115 Ca 0.36 0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.54 2whx s LEU 115 Cb 0.08 -1.90 0.00 0.00 0.03 0.00 0.00 46.19 44.41 2whx s LEU 115 CO 0.15 0.24 0.11 0.49 0.23 0.00 0.00 176.35 177.57 2whx n PHE 116 N 3.07 0.00 -3.54 0.29 3.01 -1.26 -4.97 117.46 114.06 2whx n PHE 116 Ca -0.17 0.00 -0.37 0.00 1.01 0.00 0.00 57.45 57.91 2whx n PHE 116 Cb 0.53 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 39.91 2whx n PHE 116 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 2whx s GLU 122 N -0.06 4.08 -0.11 -1.08 0.41 -1.26 -5.05 118.70 115.64 2whx s GLU 122 Ca 0.00 -0.09 -0.06 0.00 -0.41 0.00 0.00 54.97 54.41 2whx s GLU 122 Cb 0.00 -3.57 0.05 0.00 -1.78 0.00 0.00 34.13 28.83 2whx s GLU 122 CO 0.00 -0.04 0.27 0.42 -0.49 0.00 0.00 175.26 175.42 2whx s ILE 123 N 1.34 -0.04 0.11 -1.63 1.09 -1.26 -5.14 121.20 115.67 2whx s ILE 123 Ca 0.12 0.13 -0.30 0.00 -1.10 0.00 0.00 60.65 59.50 2whx s ILE 123 Cb -0.14 -0.41 -0.06 0.00 -1.06 0.00 0.00 42.46 40.78 2whx s ILE 123 CO 0.07 0.05 1.10 -0.83 -0.10 0.00 0.00 174.94 175.24 2whx s GLY 124 N 1.23 2.72 -0.05 6.18 0.00 -1.26 -4.49 107.32 111.64 2whx s GLY 124 Ca -0.09 0.77 -0.08 0.00 0.00 0.00 0.00 44.72 45.31 2whx s GLY 124 CO -0.09 1.78 0.21 0.00 0.00 0.00 0.00 173.10 175.00 2whx s ALA 125 N 0.40 -0.52 0.25 3.20 0.00 -1.04 -0.54 121.76 123.51 2whx s ALA 125 Ca 0.53 0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.88 2whx s ALA 125 Cb -0.28 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 2whx s ALA 125 CO 0.32 -0.15 0.44 0.14 0.00 0.00 0.00 175.76 176.51 2whx s VAL 126 N -0.43 5.16 -0.86 0.00 -7.23 0.45 -1.93 120.40 115.56 2whx s VAL 126 Ca -0.05 -0.36 0.17 0.00 -1.81 0.00 0.00 61.98 59.93 2whx s VAL 126 Cb -0.04 -3.77 0.73 0.00 0.56 0.00 0.00 36.38 33.87 2whx s VAL 126 CO 0.01 -0.28 1.65 0.35 -0.31 0.00 0.00 175.10 176.52 2whx n THR 127 N -0.97 2.08 -3.51 5.32 -2.24 -1.26 -2.49 114.28 111.21 2whx n THR 127 Ca -0.05 -1.29 -0.36 0.00 -2.27 0.00 0.00 64.05 60.09 2whx n THR 127 Cb 0.54 0.02 -0.06 0.00 -2.10 0.00 0.00 70.33 68.73 2whx n THR 127 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2whx s LEU 128 N -2.11 4.38 -0.17 3.22 1.43 -1.26 -4.98 118.68 119.19 2whx s LEU 128 Ca 0.51 0.90 0.01 0.00 -1.03 0.00 0.00 54.13 54.52 2whx s LEU 128 Cb 0.35 -2.95 0.02 0.00 0.03 0.00 0.00 46.19 43.64 2whx s LEU 128 CO 0.22 0.20 -0.19 -1.81 0.23 0.00 0.00 176.35 174.99 2whx s ASP 129 N -1.58 3.05 0.15 2.29 1.01 -1.26 -4.70 116.67 115.62 2whx s ASP 129 Ca 0.32 -0.62 0.10 0.00 0.71 0.00 0.00 52.55 53.05 2whx s ASP 129 Cb -0.15 -1.42 -0.04 0.00 1.01 0.00 0.00 42.92 42.31 2whx s ASP 129 CO 0.17 -0.01 -0.17 -0.36 0.21 0.00 0.00 175.17 175.01 2whx s PHE 130 N 1.32 2.50 0.65 4.23 0.40 -1.26 -5.13 117.98 120.69 2whx s PHE 130 Ca 0.05 -0.28 -0.13 0.00 -0.60 0.00 0.00 56.93 55.97 2whx s PHE 130 Cb -0.13 -1.28 -0.01 0.00 0.51 0.00 0.00 43.02 42.11 2whx s PHE 130 CO -0.12 0.44 1.06 0.15 0.70 0.00 0.00 175.22 177.44 2whx s LYS 131 N -2.44 3.12 0.14 0.44 1.02 -1.26 -4.90 119.74 115.85 2whx s LYS 131 Ca 0.20 1.04 -0.32 0.00 0.02 0.00 0.00 55.97 56.91 2whx s LYS 131 Cb -0.09 -2.01 -0.18 0.00 -0.52 0.00 0.00 37.83 35.03 2whx s LYS 131 CO 0.11 -0.96 0.75 -2.30 -0.92 0.00 0.00 175.35 172.04 2whx n PRO 132 N -2.67 0.11 0.00 -1.68 -0.02 -1.26 -3.00 135.00 126.48 2whx n PRO 132 Ca 0.08 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.60 2whx n PRO 132 Cb 0.53 -1.24 0.00 0.00 -0.02 0.00 0.00 33.50 32.77 2whx n PRO 132 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whx n GLY 133 N 1.82 0.35 0.51 -1.23 0.00 -1.26 -4.70 105.19 100.68 2whx n GLY 133 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2whx n GLY 133 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2whx n THR 134 N -1.70 0.00 -1.68 2.61 -1.04 -1.16 -3.23 114.28 108.08 2whx n THR 134 Ca 0.00 -0.27 -0.42 0.00 -2.04 0.00 0.00 64.05 61.32 2whx n THR 134 Cb 0.00 1.22 -0.03 0.00 -1.82 0.00 0.00 70.33 69.69 2whx n THR 134 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 2whx n SER 135 N 0.03 4.11 0.00 8.00 7.64 -1.26 -2.10 113.62 130.03 2whx n SER 135 Ca 0.10 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.92 2whx n SER 135 Cb 0.47 -1.53 0.00 0.00 -1.01 0.00 0.00 64.21 62.14 2whx n SER 135 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2whx n GLY 136 N 4.40 1.01 3.75 0.23 0.00 0.36 -0.74 105.19 114.19 2whx n GLY 136 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 2whx n GLY 136 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2whx s SER 137 N -2.04 6.76 0.24 1.61 0.01 -0.89 -4.14 113.70 115.25 2whx s SER 137 Ca 0.00 2.59 -0.30 0.00 1.31 0.00 0.00 55.95 59.55 2whx s SER 137 Cb 0.00 -2.62 -0.09 0.00 0.21 0.00 0.00 66.02 63.51 2whx s SER 137 CO 0.00 -0.61 1.28 -2.16 0.41 0.00 0.00 173.24 172.17 2whx s PRO 138 N -0.60 4.41 -0.32 12.44 0.04 -1.26 0.52 135.00 150.23 2whx s PRO 138 Ca 0.56 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.56 2whx s PRO 138 Cb -0.40 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 30.97 2whx s PRO 138 CO 0.44 -0.18 0.17 0.42 0.04 0.00 0.00 177.00 177.89 2whx s ILE 139 N -0.32 4.73 0.02 0.56 1.01 0.50 -0.29 121.20 127.41 2whx s ILE 139 Ca 0.53 -0.42 -0.17 0.00 0.00 0.00 0.00 60.65 60.59 2whx s ILE 139 Cb -0.37 -3.44 -0.06 0.00 0.01 0.00 0.00 42.46 38.60 2whx s ILE 139 CO 0.42 0.02 0.49 -0.63 0.00 0.00 0.00 174.94 175.24 2whx s ILE 140 N 1.63 4.92 0.97 2.92 -1.09 0.26 -0.48 121.20 130.33 2whx s ILE 140 Ca 0.05 1.02 -0.13 0.00 -2.23 0.00 0.00 60.65 59.36 2whx s ILE 140 Cb -0.17 -3.80 0.17 0.00 -1.58 0.00 0.00 42.46 37.08 2whx s ILE 140 CO 0.07 0.54 1.12 0.21 -1.23 0.00 0.00 174.94 175.65 2whx s ASN 141 N -0.91 2.92 -0.68 3.58 3.04 0.64 -1.97 114.94 121.55 2whx s ASN 141 Ca 0.26 1.02 0.00 0.00 0.04 0.00 0.00 52.86 54.18 2whx s ASN 141 Cb -0.18 -1.61 0.17 0.00 -1.54 0.00 0.00 41.25 38.10 2whx s ASN 141 CO 0.16 -2.93 0.49 -1.59 -3.04 0.00 0.00 177.10 170.19 2whx s LYS 142 N -5.16 2.59 -0.16 0.43 0.00 -1.26 -4.10 119.74 112.08 2whx s LYS 142 Ca 0.65 -2.89 -0.13 0.00 0.00 0.00 0.00 55.97 53.60 2whx s LYS 142 Cb -0.16 -3.64 0.05 0.00 0.00 0.00 0.00 37.83 34.08 2whx s LYS 142 CO 0.55 -1.20 0.42 0.15 0.00 0.00 0.00 175.35 175.27 2whx s LYS 143 N -0.70 0.45 -0.51 1.78 3.01 -1.26 -5.06 119.74 117.45 2whx s LYS 143 Ca 0.21 0.66 0.06 0.00 -1.01 0.00 0.00 55.97 55.89 2whx s LYS 143 Cb -0.15 0.14 0.20 0.00 -1.01 0.00 0.00 37.83 37.00 2whx s LYS 143 CO -0.07 -0.10 0.76 0.41 0.51 0.00 0.00 175.35 176.86 2whx n GLY 144 N 3.39 -0.54 3.96 -3.33 0.00 -1.26 -5.20 105.19 102.21 2whx n GLY 144 Ca -0.17 0.45 -0.22 0.00 0.00 0.00 0.00 46.02 46.08 2whx n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx s LYS 145 N 0.85 2.68 -0.10 1.61 -0.14 -1.26 -4.60 119.74 118.78 2whx s LYS 145 Ca 0.30 -0.60 -0.24 0.00 -1.36 0.00 0.00 55.97 54.07 2whx s LYS 145 Cb 0.03 -2.46 -0.03 0.00 -1.68 0.00 0.00 37.83 33.69 2whx s LYS 145 CO -0.08 -0.64 0.76 0.54 -0.76 0.00 0.00 175.35 175.18 2whx s VAL 146 N -2.76 4.98 -1.37 3.17 0.11 -1.26 0.23 120.40 123.49 2whx s VAL 146 Ca 0.55 1.53 0.14 0.00 -2.93 0.00 0.00 61.98 61.27 2whx s VAL 146 Cb -0.10 -4.09 0.01 0.00 -1.53 0.00 0.00 36.38 30.67 2whx s VAL 146 CO 0.39 0.16 0.81 2.30 -3.33 0.00 0.00 175.10 175.43 2whx n ILE 147 N 4.17 0.00 0.00 7.04 -6.64 0.37 -4.34 119.36 119.96 2whx n ILE 147 Ca 0.01 -0.36 0.00 0.00 -1.77 0.00 0.00 62.75 60.63 2whx n ILE 147 Cb 0.50 1.18 0.00 0.00 -1.44 0.00 0.00 39.64 39.89 2whx n ILE 147 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 2whx n GLY 148 N 1.06 0.58 3.44 3.28 0.00 -1.23 -4.46 105.19 107.86 2whx n GLY 148 Ca 0.06 -1.01 -0.33 0.00 0.00 0.00 0.00 46.02 44.74 2whx n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2whx s LEU 149 N 0.00 2.78 0.37 0.99 1.43 -0.36 -0.37 118.68 123.52 2whx s LEU 149 Ca 0.00 -0.23 -0.26 0.00 -1.03 0.00 0.00 54.13 52.61 2whx s LEU 149 Cb 0.00 -1.59 -0.09 0.00 0.03 0.00 0.00 46.19 44.54 2whx s LEU 149 CO 0.00 0.27 1.12 -0.47 0.23 0.00 0.00 176.35 177.50 2whx s TYR 150 N -0.27 3.24 0.00 0.29 5.04 0.18 -2.43 117.35 123.41 2whx s TYR 150 Ca 0.02 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 2whx s TYR 150 Cb -0.13 -3.30 0.00 0.00 0.35 0.00 0.00 41.96 38.88 2whx s TYR 150 CO 0.03 -0.96 0.00 0.41 -1.34 0.00 0.00 175.55 173.68 2whx n GLY 151 N 0.69 3.49 2.63 8.97 0.00 -1.25 -0.49 105.19 119.24 2whx n GLY 151 Ca 0.03 -1.79 -0.05 0.00 0.00 0.00 0.00 46.02 44.21 2whx n GLY 151 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2whx n ASN 152 N 0.00 -7.21 0.00 1.61 5.03 -1.26 -3.69 115.26 109.74 2whx n ASN 152 Ca 0.00 0.73 0.00 0.00 0.87 0.00 0.00 54.58 56.18 2whx n ASN 152 Cb 0.00 -4.81 0.00 0.00 -1.02 0.00 0.00 39.78 33.95 2whx n ASN 152 CO 0.00 0.00 0.00 1.33 -1.83 0.00 0.00 177.26 176.76 2whx n VAL 162 N -0.02 0.00 -2.83 2.41 0.24 -1.26 -4.33 118.33 112.53 2whx n VAL 162 Ca 0.07 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.95 2whx n VAL 162 Cb 0.27 0.00 -0.04 0.00 -1.47 0.00 0.00 33.84 32.60 2whx n VAL 162 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2whx s SER 163 N 0.00 6.97 0.38 -1.34 0.15 -1.04 -4.98 113.70 113.84 2whx s SER 163 Ca 0.00 1.20 -0.24 0.00 0.70 0.00 0.00 55.95 57.61 2whx s SER 163 Cb 0.00 -2.47 -0.10 0.00 -1.71 0.00 0.00 66.02 61.74 2whx s SER 163 CO 0.00 -0.48 0.97 0.00 1.20 0.00 0.00 173.24 174.93 2whx s ALA 164 N 2.50 3.11 -0.55 5.45 0.00 -1.24 -0.42 121.76 130.61 2whx s ALA 164 Ca 0.39 0.53 -0.22 0.00 0.00 0.00 0.00 51.96 52.66 2whx s ALA 164 Cb -0.16 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.81 2whx s ALA 164 CO 0.10 0.05 0.84 0.42 0.00 0.00 0.00 175.76 177.18 2whx s ILE 165 N -1.82 4.53 -0.25 0.00 1.01 0.30 -3.92 121.20 121.05 2whx s ILE 165 Ca 0.56 -0.05 -0.19 0.00 0.00 0.00 0.00 60.65 60.97 2whx s ILE 165 Cb -0.16 -4.48 -0.03 0.00 0.01 0.00 0.00 42.46 37.80 2whx s ILE 165 CO 0.21 -1.06 0.55 0.42 0.00 0.00 0.00 174.94 175.06 2whx s THR 166 N 3.54 5.05 -0.10 2.92 -4.23 -1.02 -4.68 115.64 117.12 2whx s THR 166 Ca 0.24 0.97 -0.07 0.00 -1.18 0.00 0.00 61.69 61.65 2whx s THR 166 Cb -0.15 -3.86 0.04 0.00 1.34 0.00 0.00 72.50 69.86 2whx s THR 166 CO 0.16 0.08 0.25 -1.58 -0.54 0.00 0.00 174.62 172.99 2whx s GLN 167 N 2.29 0.25 0.42 3.99 2.00 -1.26 -1.22 119.66 126.13 2whx s GLN 167 Ca 0.23 0.45 -0.23 0.00 -2.00 0.00 0.00 55.36 53.82 2whx s GLN 167 Cb -0.16 0.00 -0.09 0.00 0.80 0.00 0.00 33.01 33.57 2whx s GLN 167 CO 0.09 -0.10 1.03 0.00 -0.50 0.00 0.00 175.29 175.81 2whx s ALA 168 N 0.74 3.02 -2.74 1.58 0.00 -1.26 -4.96 121.76 118.14 2whx s ALA 168 Ca -0.05 0.64 0.24 0.00 0.00 0.00 0.00 51.96 52.79 2whx s ALA 168 Cb -0.06 -3.25 0.38 0.00 0.00 0.00 0.00 23.12 20.19 2whx s ALA 168 CO -0.05 -0.20 1.37 -1.91 0.00 0.00 0.00 175.76 174.98 2whx n GLU 169 N -0.36 2.30 -2.99 0.00 2.13 -1.26 -4.94 120.64 115.52 2whx n GLU 169 Ca 0.06 -1.92 -0.19 0.00 0.66 0.00 0.00 57.16 55.78 2whx n GLU 169 Cb 0.51 -1.48 0.01 0.00 0.27 0.00 0.00 31.44 30.76 2whx n GLU 169 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 2whx s ARG 170 N -1.81 2.82 -0.14 5.31 0.52 -1.26 -5.08 118.95 119.30 2whx s ARG 170 Ca 0.33 -1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 54.37 2whx s ARG 170 Cb 0.21 -2.69 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 2whx s ARG 170 CO 0.31 -0.33 -0.22 -0.89 0.02 0.00 0.00 175.30 174.19 2whx n ILE 171 N -1.95 1.34 0.00 1.52 5.41 -1.26 -4.89 119.36 119.53 2whx n ILE 171 Ca 0.06 0.21 0.00 0.00 1.00 0.00 0.00 62.75 64.03 2whx n ILE 171 Cb 0.59 -2.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.21 2whx n ILE 171 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 2whx n GLY 172 N 1.57 1.11 0.13 7.39 0.00 -1.26 -3.97 105.19 110.16 2whx n GLY 172 Ca -0.09 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2whx n GLY 172 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2whx n GLU 173 N 0.00 0.70 0.00 1.61 -0.58 -1.26 -2.05 120.64 119.06 2whx n GLU 173 Ca 0.00 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.94 2whx n GLU 173 Cb 0.00 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.24 2whx n GLU 173 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 2whx n PRO 174 N -3.33 0.00 -3.64 3.49 -0.04 -1.26 -4.75 135.00 125.46 2whx n PRO 174 Ca -0.37 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.02 2whx n PRO 174 Cb 1.03 -0.66 -0.07 0.00 -0.04 0.00 0.00 33.50 33.76 2whx n PRO 174 CO 0.00 0.00 0.00 0.16 -0.04 0.00 0.00 175.50 175.62 2whx s ASP 175 N -1.47 -0.86 -0.95 3.54 -4.77 -1.03 -4.75 116.67 106.38 2whx s ASP 175 Ca 0.00 1.39 -0.11 0.00 -3.30 0.00 0.00 52.55 50.52 2whx s ASP 175 Cb 0.00 1.36 0.24 0.00 -1.09 0.00 0.00 42.92 43.43 2whx s ASP 175 CO 0.00 -0.22 0.91 -0.47 0.70 0.00 0.00 175.17 176.09 2whx s TYR 176 N 1.52 3.98 -0.39 2.11 6.14 -1.26 -4.97 117.35 124.49 2whx s TYR 176 Ca -0.09 -2.35 -0.28 0.00 0.64 0.00 0.00 57.07 54.99 2whx s TYR 176 Cb -0.05 -3.80 -0.02 0.00 0.42 0.00 0.00 41.96 38.51 2whx s TYR 176 CO -0.18 -0.96 1.88 -1.21 0.64 0.00 0.00 175.55 175.71 2whx s GLU 177 N -0.51 3.11 -0.17 4.97 0.41 -1.26 -4.95 118.70 120.30 2whx s GLU 177 Ca 0.24 1.31 -0.29 0.00 -0.41 0.00 0.00 54.97 55.81 2whx s GLU 177 Cb -0.10 -4.27 -0.03 0.00 -1.78 0.00 0.00 34.13 27.94 2whx s GLU 177 CO -0.09 -2.13 1.63 0.54 -0.49 0.00 0.00 175.26 174.72 2whx s VAL 178 N 7.74 3.67 -0.22 2.63 0.11 -1.26 -4.95 120.40 128.12 2whx s VAL 178 Ca 0.80 0.77 -0.29 0.00 -2.93 0.00 0.00 61.98 60.33 2whx s VAL 178 Cb -0.21 -3.63 -0.02 0.00 -1.53 0.00 0.00 36.38 30.99 2whx s VAL 178 CO 0.31 -0.21 1.54 -0.62 -3.33 0.00 0.00 175.10 172.79 2whx s ASP 179 N 4.01 6.48 0.17 3.54 3.68 -1.26 -4.89 116.67 128.41 2whx s ASP 179 Ca 0.72 1.59 0.20 0.00 2.13 0.00 0.00 52.55 57.20 2whx s ASP 179 Cb -0.27 -2.53 0.86 0.00 -1.45 0.00 0.00 42.92 39.52 2whx s ASP 179 CO 0.29 -1.18 1.63 -1.84 0.13 0.00 0.00 175.17 174.20 2whx n GLU 180 N 7.51 0.13 0.00 4.34 0.28 -1.26 -2.30 120.64 129.34 2whx n GLU 180 Ca 0.18 0.37 0.12 0.00 -0.16 0.00 0.00 57.16 57.66 2whx n GLU 180 Cb 0.45 -1.75 0.55 0.00 1.43 0.00 0.00 31.44 32.12 2whx n GLU 180 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2whx n ASP 181 N -1.99 0.00 0.03 -1.84 8.00 -1.26 -2.56 116.55 116.93 2whx n ASP 181 Ca 0.03 0.33 0.12 0.00 0.71 0.00 0.00 54.79 55.97 2whx n ASP 181 Cb 0.21 -0.43 0.49 0.00 -0.02 0.00 0.00 41.12 41.37 2whx n ASP 181 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2whx n ILE 182 N -1.43 0.44 1.07 0.53 -5.35 -0.97 -3.25 119.36 110.38 2whx n ILE 182 Ca 0.08 0.02 0.12 0.00 -0.27 0.00 0.00 62.75 62.70 2whx n ILE 182 Cb 0.26 -0.70 0.13 0.00 -1.74 0.00 0.00 39.64 37.58 2whx n ILE 182 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2whx n PHE 183 N -1.73 0.00 -2.31 4.28 3.72 -1.06 -4.57 117.46 115.80 2whx n PHE 183 Ca 0.05 0.00 -0.41 0.00 -0.05 0.00 0.00 57.45 57.04 2whx n PHE 183 Cb 0.31 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.81 2whx n PHE 183 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2whx s ARG 184 N -2.20 4.47 0.45 -1.08 0.52 -1.20 -4.70 118.95 115.21 2whx s ARG 184 Ca 0.26 1.97 -0.25 0.00 -0.52 0.00 0.00 55.73 57.19 2whx s ARG 184 Cb 0.19 -3.18 -0.08 0.00 0.52 0.00 0.00 34.95 32.40 2whx s ARG 184 CO 0.41 -0.08 1.33 0.15 0.02 0.00 0.00 175.30 177.13 2whx s LYS 185 N -0.79 3.74 -0.52 3.54 1.02 -1.26 -2.53 119.74 122.94 2whx s LYS 185 Ca 0.51 2.19 0.00 0.00 0.02 0.00 0.00 55.97 58.69 2whx s LYS 185 Cb -0.35 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2whx s LYS 185 CO 0.41 -0.69 0.00 1.17 -0.92 0.00 0.00 175.35 175.32 2whx n LYS 186 N -0.21 -0.42 -4.97 1.68 4.81 -0.65 -4.92 118.16 113.48 2whx n LYS 186 Ca 0.05 0.62 -0.32 0.00 -0.87 0.00 0.00 58.31 57.79 2whx n LYS 186 Cb 0.44 -4.32 -0.15 0.00 0.02 0.00 0.00 35.03 31.02 2whx n LYS 186 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2whx s ARG 187 N -2.21 3.14 -0.15 1.64 6.06 -1.05 -4.90 118.95 121.48 2whx s ARG 187 Ca 0.00 -0.77 0.02 0.00 -2.50 0.00 0.00 55.73 52.48 2whx s ARG 187 Cb 0.00 -2.47 0.01 0.00 0.06 0.00 0.00 34.95 32.55 2whx s ARG 187 CO 0.00 0.25 -0.21 -1.17 -2.50 0.00 0.00 175.30 171.67 2whx s LEU 188 N 0.22 2.16 -0.13 -0.88 0.20 -1.26 -1.42 118.68 117.57 2whx s LEU 188 Ca -0.11 -0.60 -0.02 0.00 0.69 0.00 0.00 54.13 54.10 2whx s LEU 188 Cb -0.16 -1.47 -0.02 0.00 -0.43 0.00 0.00 46.19 44.11 2whx s LEU 188 CO 0.06 0.06 -0.07 -0.89 -0.29 0.00 0.00 176.35 175.23 2whx s THR 189 N 0.92 3.65 -0.38 3.68 2.01 0.13 -4.99 115.64 120.66 2whx s THR 189 Ca -0.04 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.34 2whx s THR 189 Cb -0.15 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.81 2whx s THR 189 CO -0.04 0.53 0.35 -0.63 -0.69 0.00 0.00 174.62 174.14 2whx s ILE 190 N 0.08 5.19 -0.78 1.82 1.01 -1.26 -0.73 121.20 126.52 2whx s ILE 190 Ca -0.02 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 2whx s ILE 190 Cb -0.14 -3.89 0.12 0.00 0.01 0.00 0.00 42.46 38.56 2whx s ILE 190 CO 0.03 -0.22 0.96 -0.32 0.00 0.00 0.00 174.94 175.40 2whx s MET 191 N 1.93 3.35 -0.29 2.79 1.75 0.39 -4.90 119.30 124.31 2whx s MET 191 Ca 0.09 -1.47 0.10 0.00 -1.25 0.00 0.00 55.69 53.16 2whx s MET 191 Cb -0.17 -4.56 0.53 0.00 2.84 0.00 0.00 34.83 33.47 2whx s MET 191 CO 0.12 -1.70 1.51 -0.40 -0.65 0.00 0.00 175.02 173.89 2whx n ASP 192 N 6.61 2.88 -4.63 1.11 3.85 -1.25 -1.82 116.55 123.30 2whx n ASP 192 Ca 0.09 -3.62 -0.44 0.00 -0.71 0.00 0.00 54.79 50.11 2whx n ASP 192 Cb 0.46 -0.64 -0.01 0.00 -1.35 0.00 0.00 41.12 39.58 2whx n ASP 192 CO 0.00 0.00 0.00 0.18 -1.01 0.00 0.00 177.20 176.37 2whx n LEU 193 N -1.00 2.41 -4.26 -2.12 7.99 -1.26 -4.43 117.00 114.32 2whx n LEU 193 Ca 0.34 1.19 -0.34 0.00 -0.01 0.00 0.00 56.01 57.18 2whx n LEU 193 Cb 1.08 -1.36 0.09 0.00 -0.11 0.00 0.00 43.42 43.13 2whx n LEU 193 CO 0.23 -1.06 -0.58 0.00 -1.51 0.00 0.00 177.39 174.47 2whx n HIS 194 N 0.39 -2.78 -1.71 -1.77 1.44 -1.26 -3.89 115.22 105.63 2whx n HIS 194 Ca 0.08 0.14 -0.43 0.00 -2.01 0.00 0.00 57.72 55.50 2whx n HIS 194 Cb 0.33 -1.64 -0.02 0.00 0.12 0.00 0.00 29.99 28.77 2whx n HIS 194 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 2whx n PRO 195 N -0.16 2.41 -0.31 -1.40 -0.02 -1.26 -1.93 135.00 132.33 2whx n PRO 195 Ca 0.03 0.86 0.00 0.00 -2.02 0.00 0.00 63.50 62.37 2whx n PRO 195 Cb 0.55 -2.60 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2whx n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whx n GLY 196 N 2.44 1.37 0.30 -1.23 0.00 -1.26 -4.48 105.19 102.33 2whx n GLY 196 Ca 0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.13 2whx n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whx h ALA 197 N 0.00 1.40 0.00 4.61 0.00 -1.69 -3.46 119.26 120.12 2whx h ALA 197 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2whx h ALA 197 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.59 2whx h ALA 197 CO 0.00 0.45 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2whx n GLY 198 N -1.06 1.17 0.08 0.00 0.00 -1.26 -5.00 105.19 99.12 2whx n GLY 198 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2whx n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whx h LYS 199 N 0.00 -0.07 0.09 1.61 1.57 -1.90 0.04 116.57 117.91 2whx h LYS 199 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2whx h LYS 199 Cb 0.00 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2whx h LYS 199 CO 0.00 -0.05 -0.04 1.15 -0.57 0.00 0.00 179.45 179.94 2whx h THR 200 N -0.07 1.16 0.00 -0.16 2.02 -1.97 -0.62 112.91 113.28 2whx h THR 200 Ca 0.02 -1.10 -0.08 0.00 0.77 0.00 0.00 66.41 66.03 2whx h THR 200 Cb 0.09 1.84 -0.01 0.00 -1.74 0.00 0.00 68.15 68.33 2whx h THR 200 CO -0.05 0.26 -0.74 0.50 0.37 0.00 0.00 175.52 175.86 2whx h LYS 201 N -0.64 0.00 0.00 6.66 1.63 -1.98 -3.36 116.57 118.88 2whx h LYS 201 Ca -0.01 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2whx h LYS 201 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2whx h LYS 201 CO 0.02 0.23 -0.84 -2.13 -3.45 0.00 0.00 179.45 173.28 2whx n ARG 202 N -2.99 0.00 0.08 1.90 0.63 -0.08 -4.68 116.66 111.51 2whx n ARG 202 Ca -0.01 0.00 -0.21 0.00 -0.92 0.00 0.00 57.85 56.71 2whx n ARG 202 Cb 0.68 -0.58 -0.15 0.00 0.45 0.00 0.00 32.46 32.86 2whx n ARG 202 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2whx h ILE 203 N 0.00 1.43 -0.08 5.15 2.04 -1.32 -3.23 117.51 121.50 2whx h ILE 203 Ca 0.00 -2.55 0.01 0.00 1.00 0.00 0.00 64.86 63.32 2whx h ILE 203 Cb 0.84 3.09 -0.01 0.00 -0.74 0.00 0.00 36.82 40.01 2whx h ILE 203 CO 0.00 0.74 0.02 0.25 0.00 0.00 0.00 178.15 179.16 2whx h LEU 204 N -0.17 0.01 -0.60 1.44 5.85 -1.25 -1.11 115.31 119.48 2whx h LEU 204 Ca -0.17 0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.60 2whx h LEU 204 Cb 1.78 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 42.78 2whx h LEU 204 CO 0.19 0.02 0.34 -0.65 -0.34 0.00 0.00 178.44 178.00 2whx h PRO 205 N 0.06 0.63 -0.49 5.25 0.11 -1.74 -1.27 132.00 134.55 2whx h PRO 205 Ca 0.04 -0.04 0.09 0.00 0.11 0.00 0.00 66.00 66.20 2whx h PRO 205 Cb 0.03 -0.14 -0.07 0.00 0.11 0.00 0.00 31.00 30.92 2whx h PRO 205 CO -0.05 0.42 0.04 1.03 -0.21 0.00 0.00 178.00 179.23 2whx h SER 206 N 0.65 -0.12 -0.50 -2.05 0.87 -1.48 0.14 113.55 111.06 2whx h SER 206 Ca 0.25 0.10 -0.02 0.00 -1.23 0.00 0.00 61.79 60.90 2whx h SER 206 Cb 0.10 0.17 -0.02 0.00 -0.44 0.00 0.00 62.40 62.21 2whx h SER 206 CO -0.14 -0.03 0.25 0.40 -0.53 0.00 0.00 176.83 176.78 2whx h ILE 207 N 0.16 1.19 -0.40 2.23 2.04 -0.81 -0.54 117.51 121.38 2whx h ILE 207 Ca 0.25 -0.53 -0.03 0.00 1.00 0.00 0.00 64.86 65.55 2whx h ILE 207 Cb 0.35 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2whx h ILE 207 CO -0.37 0.21 0.13 0.58 0.00 0.00 0.00 178.15 178.70 2whx h VAL 208 N 0.66 1.21 -0.99 1.67 2.07 -0.55 0.34 116.25 120.67 2whx h VAL 208 Ca 0.17 -0.68 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2whx h VAL 208 Cb 0.11 0.90 -0.07 0.00 -1.52 0.00 0.00 31.29 30.71 2whx h VAL 208 CO -0.02 0.24 0.64 0.03 0.02 0.00 0.00 177.57 178.48 2whx h ARG 209 N 0.50 1.10 -0.14 1.57 3.08 -0.59 -0.70 114.38 119.20 2whx h ARG 209 Ca 0.13 -0.07 -0.21 0.00 0.07 0.00 0.00 59.98 59.90 2whx h ARG 209 Cb 0.24 -0.25 0.01 0.00 0.08 0.00 0.00 29.97 30.05 2whx h ARG 209 CO -0.01 0.73 -0.73 1.49 -1.07 0.00 0.00 179.97 180.38 2whx h GLU 210 N 1.13 0.74 -0.05 0.04 4.57 -0.44 -2.91 114.58 117.66 2whx h GLU 210 Ca 0.44 -0.61 -0.08 0.00 -1.18 0.00 0.00 59.36 57.93 2whx h GLU 210 Cb 0.22 0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 28.93 2whx h GLU 210 CO -0.19 1.22 -0.33 0.00 -1.18 0.00 0.00 179.01 178.53 2whx h ALA 211 N 0.53 1.35 -0.02 2.92 0.00 -0.11 -2.24 119.26 121.70 2whx h ALA 211 Ca -0.05 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.41 2whx h ALA 211 Cb 1.37 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2whx h ALA 211 CO 0.15 0.47 -0.55 -0.07 0.00 0.00 0.00 179.25 179.25 2whx h LEU 212 N 0.09 0.06 -0.70 0.00 3.38 -1.12 -1.29 115.31 115.73 2whx h LEU 212 Ca 0.01 -0.03 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2whx h LEU 212 Cb 0.63 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2whx h LEU 212 CO 0.05 0.59 -0.50 0.11 0.09 0.00 0.00 178.44 178.78 2whx h LYS 213 N 0.04 0.39 -0.00 1.13 1.57 -1.22 -2.93 116.57 115.55 2whx h LYS 213 Ca -0.00 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.55 2whx h LYS 213 Cb 0.98 0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.30 2whx h LYS 213 CO 0.07 0.80 -0.03 0.54 -0.57 0.00 0.00 179.45 180.26 2whx n ARG 214 N -3.97 0.92 -3.61 3.15 1.74 -0.90 -4.93 116.66 109.06 2whx n ARG 214 Ca -0.02 -0.20 -0.25 0.00 -0.77 0.00 0.00 57.85 56.61 2whx n ARG 214 Cb 0.56 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.57 2whx n ARG 214 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2whx n ARG 215 N -0.86 -7.66 -3.13 5.56 1.74 -0.92 -5.00 116.66 106.39 2whx n ARG 215 Ca 0.19 0.81 -0.36 0.00 -0.77 0.00 0.00 57.85 57.72 2whx n ARG 215 Cb 0.21 -5.85 -0.06 0.00 -1.02 0.00 0.00 32.46 25.74 2whx n ARG 215 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2whx s LEU 216 N -7.29 4.36 -0.71 0.55 1.43 -0.53 -5.02 118.68 111.46 2whx s LEU 216 Ca 0.59 1.39 -0.27 0.00 -1.03 0.00 0.00 54.13 54.80 2whx s LEU 216 Cb -0.26 -3.52 0.03 0.00 0.03 0.00 0.00 46.19 42.47 2whx s LEU 216 CO 0.73 0.05 1.29 -0.13 0.23 0.00 0.00 176.35 178.51 2whx s ARG 217 N -1.91 3.23 -0.13 1.70 0.52 -1.26 -4.73 118.95 116.36 2whx s ARG 217 Ca 0.42 -0.13 -0.06 0.00 -0.52 0.00 0.00 55.73 55.44 2whx s ARG 217 Cb -0.17 -4.16 -0.04 0.00 0.52 0.00 0.00 34.95 31.10 2whx s ARG 217 CO 0.21 -2.09 0.08 0.99 0.02 0.00 0.00 175.30 174.51 2whx s THR 218 N 5.72 4.97 -0.14 0.02 2.01 -1.26 -2.02 115.64 124.93 2whx s THR 218 Ca 0.37 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.41 2whx s THR 218 Cb -0.08 -3.17 0.01 0.00 0.01 0.00 0.00 72.50 69.27 2whx s THR 218 CO 0.17 0.56 -0.22 -0.22 -0.69 0.00 0.00 174.62 174.22 2whx s LEU 219 N -0.49 2.12 -0.17 4.42 2.96 -0.17 -2.09 118.68 125.26 2whx s LEU 219 Ca 0.11 -0.60 -0.05 0.00 -0.22 0.00 0.00 54.13 53.37 2whx s LEU 219 Cb -0.12 -1.45 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2whx s LEU 219 CO 0.02 0.09 0.01 -0.63 -1.32 0.00 0.00 176.35 174.51 2whx s ILE 220 N 0.78 4.25 -0.18 6.68 1.01 0.58 -0.17 121.20 134.15 2whx s ILE 220 Ca -0.08 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.32 2whx s ILE 220 Cb -0.16 -2.89 -0.01 0.00 0.01 0.00 0.00 42.46 39.41 2whx s ILE 220 CO -0.01 0.47 -0.07 -0.76 0.00 0.00 0.00 174.94 174.57 2whx s LEU 221 N 0.48 2.91 0.07 2.97 1.43 0.14 -1.82 118.68 124.86 2whx s LEU 221 Ca -0.01 -0.32 0.05 0.00 -1.03 0.00 0.00 54.13 52.82 2whx s LEU 221 Cb -0.14 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.34 2whx s LEU 221 CO 0.02 0.07 -0.03 0.00 0.23 0.00 0.00 176.35 176.65 2whx s ALA 222 N 0.91 3.20 0.16 4.21 0.00 0.08 -0.54 121.76 129.78 2whx s ALA 222 Ca -0.01 -1.11 -0.11 0.00 0.00 0.00 0.00 51.96 50.73 2whx s ALA 222 Cb -0.15 -1.15 0.02 0.00 0.00 0.00 0.00 23.12 21.85 2whx s ALA 222 CO 0.01 0.67 1.59 -1.00 0.00 0.00 0.00 175.76 177.03 2whx h PRO 223 N 3.70 0.95 -4.75 0.00 0.13 -1.88 0.16 132.00 130.32 2whx h PRO 223 Ca -0.48 -0.34 -0.28 0.00 -0.87 0.00 0.00 66.00 64.02 2whx h PRO 223 Cb 1.17 -0.07 -0.15 0.00 0.13 0.00 0.00 31.00 32.08 2whx h PRO 223 CO 0.57 1.01 -0.65 0.95 -0.23 0.00 0.00 178.00 179.65 2whx s THR 224 N -4.89 0.53 0.12 1.56 -4.23 -1.26 -4.40 115.64 103.07 2whx s THR 224 Ca -0.12 -1.97 -0.17 0.00 -1.18 0.00 0.00 61.69 58.25 2whx s THR 224 Cb 0.12 -2.24 -0.03 0.00 1.34 0.00 0.00 72.50 71.69 2whx s THR 224 CO 0.85 -0.35 1.66 -0.09 -0.54 0.00 0.00 174.62 176.15 2whx h ARG 225 N 2.65 0.51 -0.63 3.99 1.12 -1.98 -0.69 114.38 119.35 2whx h ARG 225 Ca -0.37 -0.10 -0.04 0.00 -1.11 0.00 0.00 59.98 58.37 2whx h ARG 225 Cb 1.22 -0.08 -0.03 0.00 -0.01 0.00 0.00 29.97 31.06 2whx h ARG 225 CO 0.61 0.52 0.24 -0.39 -3.11 0.00 0.00 179.97 177.84 2whx h VAL 226 N 0.40 1.22 -0.39 0.20 -1.51 -1.95 0.42 116.25 114.65 2whx h VAL 226 Ca 0.11 -0.71 -0.06 0.00 -1.23 0.00 0.00 66.70 64.81 2whx h VAL 226 Cb 0.20 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.82 2whx h VAL 226 CO -0.01 0.28 0.01 0.58 -1.23 0.00 0.00 177.57 177.21 2whx h VAL 227 N 0.91 1.26 -0.60 7.19 2.07 -1.91 -0.60 116.25 124.57 2whx h VAL 227 Ca 0.21 -0.98 0.05 0.00 0.82 0.00 0.00 66.70 66.81 2whx h VAL 227 Cb 0.19 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.03 2whx h VAL 227 CO -0.02 0.33 0.31 0.00 0.02 0.00 0.00 177.57 178.21 2whx h ALA 228 N 0.89 0.78 -1.00 1.67 0.00 -0.40 -0.39 119.26 120.81 2whx h ALA 228 Ca 0.11 0.02 0.04 0.00 0.00 0.00 0.00 54.91 55.09 2whx h ALA 228 Cb 0.45 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2whx h ALA 228 CO 0.02 -0.03 0.66 0.00 0.00 0.00 0.00 179.25 179.90 2whx h ALA 229 N 1.32 1.34 -0.23 0.00 0.00 0.12 0.10 119.26 121.92 2whx h ALA 229 Ca 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 2whx h ALA 229 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 2whx h ALA 229 CO -0.18 0.54 0.09 0.93 0.00 0.00 0.00 179.25 180.63 2whx h GLU 230 N 1.26 0.34 -0.83 0.00 5.08 -0.59 -2.99 114.58 116.85 2whx h GLU 230 Ca 0.40 -0.06 0.06 0.00 -1.00 0.00 0.00 59.36 58.77 2whx h GLU 230 Cb 0.02 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.16 2whx h GLU 230 CO -0.13 0.38 0.54 0.52 -1.00 0.00 0.00 179.01 179.32 2whx h MET 231 N 0.22 0.90 -0.83 2.33 2.86 -0.21 -2.33 114.93 117.86 2whx h MET 231 Ca 0.08 -0.05 0.09 0.00 -2.06 0.00 0.00 59.70 57.75 2whx h MET 231 Cb 0.17 -0.20 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 2whx h MET 231 CO -0.01 0.59 0.54 0.93 1.06 0.00 0.00 176.91 180.02 2whx h GLU 232 N 0.92 0.78 0.01 1.72 5.08 -0.68 -1.78 114.58 120.64 2whx h GLU 232 Ca 0.36 -0.05 -0.26 0.00 -1.00 0.00 0.00 59.36 58.41 2whx h GLU 232 Cb 0.21 -0.18 0.02 0.00 0.50 0.00 0.00 28.75 29.30 2whx h GLU 232 CO -0.13 0.51 -1.03 1.05 -1.00 0.00 0.00 179.01 178.41 2whx h GLU 233 N 0.80 0.61 0.00 2.33 4.11 -1.39 -3.25 114.58 117.79 2whx h GLU 233 Ca 0.38 -0.67 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2whx h GLU 233 Cb 0.40 0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2whx h GLU 233 CO -0.15 1.27 0.00 0.00 0.07 0.00 0.00 179.01 180.20 2whx n ALA 234 N -2.62 1.87 -1.46 1.06 0.00 -0.98 -2.78 120.51 115.59 2whx n ALA 234 Ca -0.10 0.04 -0.33 0.00 0.00 0.00 0.00 53.44 53.06 2whx n ALA 234 Cb 0.88 -1.41 0.07 0.00 0.00 0.00 0.00 19.45 18.99 2whx n ALA 234 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2whx n LEU 235 N -2.20 7.18 -4.74 0.00 4.77 -0.70 -4.92 117.00 116.38 2whx n LEU 235 Ca 0.03 -4.37 -0.41 0.00 -0.03 0.00 0.00 56.01 51.23 2whx n LEU 235 Cb 0.29 -0.86 -0.03 0.00 -2.33 0.00 0.00 43.42 40.50 2whx n LEU 235 CO 0.23 1.59 1.04 -0.60 -1.33 0.00 0.00 177.39 178.32 2whx s ARG 236 N -3.78 4.33 0.00 3.23 3.52 -1.12 -2.60 118.95 122.53 2whx s ARG 236 Ca 0.62 2.16 0.00 0.00 -0.13 0.00 0.00 55.73 58.39 2whx s ARG 236 Cb 0.49 -3.16 0.00 0.00 -1.56 0.00 0.00 34.95 30.72 2whx s ARG 236 CO 0.00 -0.34 0.00 0.41 -0.81 0.00 0.00 175.30 174.56 2whx n GLY 237 N 2.38 2.95 3.80 8.12 0.00 -1.26 -5.05 105.19 116.14 2whx n GLY 237 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.77 2whx n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2whx s LEU 238 N 0.00 3.33 -1.31 0.99 1.02 -1.07 -4.97 118.68 116.66 2whx s LEU 238 Ca 0.00 1.76 -0.08 0.00 0.02 0.00 0.00 54.13 55.84 2whx s LEU 238 Cb 0.00 -4.52 0.14 0.00 0.02 0.00 0.00 46.19 41.82 2whx s LEU 238 CO 0.00 -1.37 2.15 -0.81 0.02 0.00 0.00 176.35 176.34 2whx n PRO 239 N -2.56 4.08 -3.45 1.29 -0.04 -1.26 -4.99 135.00 128.07 2whx n PRO 239 Ca 0.08 -3.44 -0.37 0.00 -0.04 0.00 0.00 63.50 59.73 2whx n PRO 239 Cb 0.53 -2.79 -0.06 0.00 -0.04 0.00 0.00 33.50 31.15 2whx n PRO 239 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2whx s ILE 240 N -0.26 4.95 -0.17 0.52 -4.36 -1.26 -1.24 121.20 119.38 2whx s ILE 240 Ca 0.47 0.83 0.00 0.00 -0.26 0.00 0.00 60.65 61.69 2whx s ILE 240 Cb 0.14 -3.74 0.04 0.00 1.25 0.00 0.00 42.46 40.15 2whx s ILE 240 CO -0.04 0.45 -0.09 -0.60 0.24 0.00 0.00 174.94 174.89 2whx s ARG 241 N -1.43 1.83 0.15 0.37 3.52 0.13 -4.92 118.95 118.60 2whx s ARG 241 Ca 0.29 -0.62 -0.30 0.00 -0.13 0.00 0.00 55.73 54.97 2whx s ARG 241 Cb -0.16 -2.14 -0.07 0.00 -1.56 0.00 0.00 34.95 31.02 2whx s ARG 241 CO 0.16 -0.38 1.15 -0.47 -0.81 0.00 0.00 175.30 174.95 2whx s TYR 242 N 1.52 3.51 -0.17 5.12 5.04 -1.26 -0.73 117.35 130.38 2whx s TYR 242 Ca 0.01 1.49 -0.01 0.00 -2.44 0.00 0.00 57.07 56.12 2whx s TYR 242 Cb -0.15 -3.35 -0.00 0.00 0.35 0.00 0.00 41.96 38.81 2whx s TYR 242 CO -0.09 -0.90 -0.12 -0.65 -1.34 0.00 0.00 175.55 172.45 2whx s GLN 243 N -0.02 3.27 0.24 4.97 -1.52 0.11 -4.91 119.66 121.80 2whx s GLN 243 Ca 0.52 -0.71 -0.06 0.00 -1.95 0.00 0.00 55.36 53.17 2whx s GLN 243 Cb -0.30 -2.73 -0.06 0.00 -0.22 0.00 0.00 33.01 29.70 2whx s GLN 243 CO 0.34 -0.03 0.51 0.95 -0.25 0.00 0.00 175.29 176.81 2whx s THR 244 N 0.95 5.04 -1.03 -0.19 -4.23 -1.26 -4.56 115.64 110.37 2whx s THR 244 Ca -0.02 0.12 0.13 0.00 -1.18 0.00 0.00 61.69 60.73 2whx s THR 244 Cb -0.15 -3.69 0.11 0.00 1.34 0.00 0.00 72.50 70.12 2whx s THR 244 CO -0.01 -0.19 1.40 -0.81 -0.54 0.00 0.00 174.62 174.46 2whx n PRO 245 N -0.55 0.01 0.15 3.99 -0.04 -1.26 -2.70 135.00 134.60 2whx n PRO 245 Ca -0.02 0.28 0.13 0.00 -0.04 0.00 0.00 63.50 63.85 2whx n PRO 245 Cb 0.53 -1.50 0.45 0.00 -0.04 0.00 0.00 33.50 32.95 2whx n PRO 245 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2whx h ALA 246 N 2.44 1.00 -3.38 0.55 0.00 -1.99 -3.42 119.26 114.46 2whx h ALA 246 Ca 0.00 0.00 -0.65 0.00 0.00 0.00 0.00 54.91 54.26 2whx h ALA 246 Cb 0.21 0.00 -0.21 0.00 0.00 0.00 0.00 17.79 17.79 2whx h ALA 246 CO 0.00 0.00 -0.68 0.08 0.00 0.00 0.00 179.25 178.65 2whx s VAL 247 N -3.28 3.83 0.05 0.00 1.01 -1.10 -5.03 120.40 115.87 2whx s VAL 247 Ca 0.06 -0.40 -0.02 0.00 0.00 0.00 0.00 61.98 61.62 2whx s VAL 247 Cb 0.10 -2.64 -0.27 0.00 0.00 0.00 0.00 36.38 33.56 2whx s VAL 247 CO 0.52 0.53 1.03 0.11 0.00 0.00 0.00 175.10 177.28 2whx h LYS 248 N 6.27 0.23 -3.20 2.72 1.57 -1.85 -3.46 116.57 118.86 2whx h LYS 248 Ca -0.36 -0.40 -0.04 0.00 -1.87 0.00 0.00 60.65 57.98 2whx h LYS 248 Cb 1.19 0.15 -0.13 0.00 0.08 0.00 0.00 32.23 33.52 2whx h LYS 248 CO 0.60 1.14 0.03 -1.54 -0.57 0.00 0.00 179.45 179.10 2whx s SER 249 N -7.01 -0.36 -0.34 0.86 1.04 -1.26 -4.56 113.70 102.06 2whx s SER 249 Ca -0.06 -0.16 0.04 0.00 0.48 0.00 0.00 55.95 56.26 2whx s SER 249 Cb 0.07 0.51 0.17 0.00 0.10 0.00 0.00 66.02 66.88 2whx s SER 249 CO 0.87 -0.87 0.47 -0.62 0.98 0.00 0.00 173.24 174.06 2whx s ASP 250 N -2.69 -0.09 -0.22 7.02 3.68 -1.26 -5.13 116.67 117.97 2whx s ASP 250 Ca 0.01 -0.73 -0.06 0.00 2.13 0.00 0.00 52.55 53.90 2whx s ASP 250 Cb 0.01 1.27 -0.02 0.00 -1.45 0.00 0.00 42.92 42.72 2whx s ASP 250 CO -0.11 -0.28 0.03 -2.28 0.13 0.00 0.00 175.17 172.66 2whx s HIS 251 N 2.11 3.06 -0.16 -5.34 2.46 -1.26 -4.98 115.29 111.18 2whx s HIS 251 Ca 0.13 -0.48 0.18 0.00 0.47 0.00 0.00 55.06 55.36 2whx s HIS 251 Cb -0.11 -2.16 -0.26 0.00 -0.13 0.00 0.00 32.58 29.93 2whx s HIS 251 CO -0.17 -0.32 0.18 0.25 -2.47 0.00 0.00 174.74 172.21 2whx n THR 252 N 4.59 1.17 -0.88 0.89 -2.24 -1.26 -4.99 114.28 111.56 2whx n THR 252 Ca -0.17 -0.79 0.00 0.00 -2.27 0.00 0.00 64.05 60.82 2whx n THR 252 Cb 0.51 -0.42 0.00 0.00 -2.10 0.00 0.00 70.33 68.33 2whx n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2whx n GLY 253 N 1.65 0.73 3.85 3.38 0.00 -1.26 -5.04 105.19 108.50 2whx n GLY 253 Ca -0.27 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.52 2whx n GLY 253 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2whx s ARG 254 N -0.12 3.03 -0.68 1.61 1.81 -1.26 -5.03 118.95 118.30 2whx s ARG 254 Ca 0.00 -0.94 -0.26 0.00 -1.72 0.00 0.00 55.73 52.81 2whx s ARG 254 Cb 0.00 -2.66 -0.02 0.00 -0.45 0.00 0.00 34.95 31.82 2whx s ARG 254 CO 0.00 0.43 1.81 -1.21 -0.68 0.00 0.00 175.30 175.65 2whx s GLU 255 N -3.66 2.69 -0.06 3.54 0.41 -1.26 -4.91 118.70 115.44 2whx s GLU 255 Ca 0.33 0.34 -0.06 0.00 -0.41 0.00 0.00 54.97 55.16 2whx s GLU 255 Cb -0.09 -4.51 0.02 0.00 -1.78 0.00 0.00 34.13 27.77 2whx s GLU 255 CO 0.25 -2.78 0.17 0.42 -0.49 0.00 0.00 175.26 172.84 2whx s ILE 256 N 8.86 0.00 -0.23 -1.63 1.01 -1.26 -4.86 121.20 123.08 2whx s ILE 256 Ca 0.64 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.17 2whx s ILE 256 Cb -0.11 -0.25 -0.05 0.00 0.01 0.00 0.00 42.46 42.06 2whx s ILE 256 CO 0.16 -0.01 0.20 -0.69 0.00 0.00 0.00 174.94 174.60 2whx s VAL 257 N 0.07 5.34 -0.02 2.92 1.01 -0.38 -4.49 120.40 124.85 2whx s VAL 257 Ca -0.00 0.26 -0.27 0.00 0.00 0.00 0.00 61.98 61.97 2whx s VAL 257 Cb -0.01 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2whx s VAL 257 CO 0.00 0.33 0.84 -1.81 0.00 0.00 0.00 175.10 174.47 2whx s ASP 258 N 1.05 7.20 -0.11 3.32 -0.00 -0.89 0.22 116.67 127.46 2whx s ASP 258 Ca 0.09 1.45 0.03 0.00 -0.00 0.00 0.00 52.55 54.12 2whx s ASP 258 Cb -0.14 -2.50 -0.01 0.00 -0.00 0.00 0.00 42.92 40.28 2whx s ASP 258 CO 0.05 -0.16 -0.21 -0.22 -0.00 0.00 0.00 175.17 174.63 2whx s LEU 259 N 0.75 2.28 0.23 1.23 2.96 0.09 -0.30 118.68 125.91 2whx s LEU 259 Ca 0.44 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.68 2whx s LEU 259 Cb -0.20 -1.47 0.03 0.00 0.50 0.00 0.00 46.19 45.05 2whx s LEU 259 CO 0.24 0.17 0.59 0.00 -1.32 0.00 0.00 176.35 176.03 2whx s MET 260 N 0.30 1.53 0.62 1.98 0.23 -0.75 0.04 119.30 123.24 2whx s MET 260 Ca -0.15 -0.90 -0.16 0.00 -1.03 0.00 0.00 55.69 53.44 2whx s MET 260 Cb -0.17 0.55 -0.02 0.00 -1.53 0.00 0.00 34.83 33.66 2whx s MET 260 CO 0.08 -0.67 1.10 0.00 -2.03 0.00 0.00 175.02 173.49 2whx h HIS 262 N 0.33 -0.09 0.00 0.00 3.86 -0.89 -2.19 115.15 116.17 2whx h HIS 262 Ca -0.47 0.05 -0.07 0.00 -1.16 0.00 0.00 60.37 58.71 2whx h HIS 262 Cb 1.24 0.13 -0.01 0.00 1.06 0.00 0.00 27.41 29.83 2whx h HIS 262 CO 0.55 -0.18 -0.33 0.00 0.86 0.00 0.00 177.93 178.84 2whx h ALA 263 N 1.55 1.35 -0.45 2.45 0.00 -1.85 -2.73 119.26 119.59 2whx h ALA 263 Ca 0.31 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2whx h ALA 263 Cb 0.49 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 2whx h ALA 263 CO -0.53 0.41 -0.08 1.15 0.00 0.00 0.00 179.25 180.20 2whx h THR 264 N 0.00 1.27 -0.05 0.00 2.02 -1.77 -1.51 112.91 112.88 2whx h THR 264 Ca -0.00 -1.18 0.02 0.00 0.77 0.00 0.00 66.41 66.02 2whx h THR 264 Cb 0.62 1.12 -0.02 0.00 -1.74 0.00 0.00 68.15 68.12 2whx h THR 264 CO 0.04 0.40 -0.08 0.15 0.37 0.00 0.00 175.52 176.40 2whx h PHE 265 N 0.68 -0.20 -0.78 3.16 3.57 -1.26 -1.40 116.94 120.72 2whx h PHE 265 Ca 0.12 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 2whx h PHE 265 Cb 0.61 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 2whx h PHE 265 CO 0.05 -0.13 0.48 1.15 -2.23 0.00 0.00 178.31 177.63 2whx h THR 266 N -0.12 1.21 -0.55 4.41 2.02 -1.44 -2.08 112.91 116.37 2whx h THR 266 Ca 0.05 -0.44 -0.06 0.00 0.77 0.00 0.00 66.41 66.72 2whx h THR 266 Cb 0.19 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.69 2whx h THR 266 CO -0.12 0.22 0.10 0.74 0.37 0.00 0.00 175.52 176.83 2whx h THR 267 N 1.06 1.25 -0.28 3.16 2.02 -1.09 -2.13 112.91 116.89 2whx h THR 267 Ca 0.28 -0.94 -0.03 0.00 0.77 0.00 0.00 66.41 66.50 2whx h THR 267 Cb -0.06 0.80 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2whx h THR 267 CO -0.06 0.34 0.06 0.03 0.37 0.00 0.00 175.52 176.27 2whx h ARG 268 N 0.79 0.41 -0.19 6.66 3.08 -1.05 -2.18 114.38 121.90 2whx h ARG 268 Ca 0.17 -0.06 -0.14 0.00 0.07 0.00 0.00 59.98 60.02 2whx h ARG 268 Cb 0.39 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 2whx h ARG 268 CO 0.01 0.39 -0.47 -0.07 -1.07 0.00 0.00 179.97 178.76 2whx h LEU 269 N 0.40 0.52 -0.32 3.04 3.38 -0.89 0.24 115.31 121.68 2whx h LEU 269 Ca 0.10 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 2whx h LEU 269 Cb 0.17 -0.15 -0.00 0.00 0.09 0.00 0.00 40.66 40.77 2whx h LEU 269 CO -0.00 0.91 -0.12 -0.07 0.09 0.00 0.00 178.44 179.25 2whx h LEU 270 N 0.39 0.00 0.00 1.67 3.38 -1.10 -3.40 115.31 116.25 2whx h LEU 270 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2whx h LEU 270 Cb 0.97 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.72 2whx h LEU 270 CO 0.09 0.12 -1.04 -1.54 0.09 0.00 0.00 178.44 176.16 2whx n SER 271 N -3.15 4.85 -4.78 -0.43 3.41 -0.85 -4.99 113.62 107.68 2whx n SER 271 Ca 0.03 0.00 -0.36 0.00 -0.26 0.00 0.00 58.87 58.28 2whx n SER 271 Cb 0.53 0.55 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 2whx n SER 271 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2whx s SER 272 N -3.00 6.43 0.00 4.04 0.15 0.82 -4.94 113.70 117.20 2whx s SER 272 Ca -0.00 2.07 0.23 0.00 0.70 0.00 0.00 55.95 58.95 2whx s SER 272 Cb 0.00 -2.58 0.74 0.00 -1.71 0.00 0.00 66.02 62.47 2whx s SER 272 CO 0.02 -0.72 1.56 0.35 1.20 0.00 0.00 173.24 175.65 2whx n THR 273 N -0.52 0.18 -4.59 6.45 -2.24 -1.26 -4.87 114.28 107.43 2whx n THR 273 Ca 0.07 -0.39 -0.33 0.00 -2.27 0.00 0.00 64.05 61.13 2whx n THR 273 Cb 0.50 0.57 -0.15 0.00 -2.10 0.00 0.00 70.33 69.15 2whx n THR 273 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2whx s ARG 274 N -1.82 3.33 0.12 -0.78 1.81 -1.26 -5.10 118.95 115.25 2whx s ARG 274 Ca 0.34 -0.70 -0.31 0.00 -1.72 0.00 0.00 55.73 53.35 2whx s ARG 274 Cb 0.19 -2.68 -0.07 0.00 -0.45 0.00 0.00 34.95 31.94 2whx s ARG 274 CO 0.29 0.10 1.26 0.14 -0.68 0.00 0.00 175.30 176.42 2whx s VAL 275 N 0.64 3.62 -0.84 3.52 -7.23 -1.26 -4.98 120.40 113.86 2whx s VAL 275 Ca -0.07 1.23 -0.17 0.00 -1.81 0.00 0.00 61.98 61.16 2whx s VAL 275 Cb -0.15 -3.78 0.17 0.00 0.56 0.00 0.00 36.38 33.17 2whx s VAL 275 CO 0.03 0.13 0.92 -2.16 -0.31 0.00 0.00 175.10 173.70 2whx s PRO 276 N 0.63 3.53 -1.50 4.82 0.04 -1.26 -4.96 135.00 136.29 2whx s PRO 276 Ca 0.59 -2.00 -0.11 0.00 0.04 0.00 0.00 61.00 59.52 2whx s PRO 276 Cb -0.33 -4.62 0.00 0.00 0.04 0.00 0.00 34.50 29.59 2whx s PRO 276 CO 0.32 -1.53 2.56 0.09 0.04 0.00 0.00 177.00 178.48 2whx n ASN 277 N 5.41 6.77 -4.73 6.66 3.02 -1.26 -4.92 115.26 126.21 2whx n ASN 277 Ca 0.15 -2.78 -0.41 0.00 -0.03 0.00 0.00 54.58 51.51 2whx n ASN 277 Cb 0.47 -1.56 -0.03 0.00 -0.61 0.00 0.00 39.78 38.05 2whx n ASN 277 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2whx s TYR 278 N 1.92 3.49 -2.67 3.10 1.51 -1.26 -4.87 117.35 118.57 2whx s TYR 278 Ca 0.58 1.45 0.24 0.00 -1.01 0.00 0.00 57.07 58.32 2whx s TYR 278 Cb 0.16 -3.37 0.36 0.00 -0.11 0.00 0.00 41.96 39.01 2whx s TYR 278 CO -0.07 -1.00 1.36 0.27 -1.11 0.00 0.00 175.55 175.00 2whx n ASN 279 N 2.95 3.21 -3.69 2.29 2.04 -0.86 -4.60 115.26 116.59 2whx n ASN 279 Ca 0.05 -1.98 -0.16 0.00 -0.44 0.00 0.00 54.58 52.05 2whx n ASN 279 Cb 0.46 -0.15 -0.15 0.00 -2.53 0.00 0.00 39.78 37.41 2whx n ASN 279 CO 0.00 0.00 0.00 -0.22 -0.44 0.00 0.00 177.26 176.60 2whx s LEU 280 N -1.69 0.16 -0.15 -4.53 2.96 -1.14 -0.43 118.68 113.86 2whx s LEU 280 Ca 0.35 0.32 0.00 0.00 -0.22 0.00 0.00 54.13 54.58 2whx s LEU 280 Cb 0.22 0.29 0.02 0.00 0.50 0.00 0.00 46.19 47.22 2whx s LEU 280 CO 0.31 -0.22 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.35 2whx s ILE 281 N 1.96 1.58 -0.30 6.68 1.01 -0.71 -1.00 121.20 130.43 2whx s ILE 281 Ca -0.00 -0.64 -0.07 0.00 0.00 0.00 0.00 60.65 59.93 2whx s ILE 281 Cb -0.12 -1.48 0.01 0.00 0.01 0.00 0.00 42.46 40.88 2whx s ILE 281 CO -0.06 0.46 0.10 -0.69 0.00 0.00 0.00 174.94 174.75 2whx s VAL 282 N 1.46 4.11 -0.33 2.92 1.01 0.75 -0.91 120.40 129.41 2whx s VAL 282 Ca 0.04 -0.63 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 2whx s VAL 282 Cb -0.13 -3.11 -0.02 0.00 0.00 0.00 0.00 36.38 33.12 2whx s VAL 282 CO -0.10 0.08 0.22 -0.32 0.00 0.00 0.00 175.10 174.97 2whx s MET 283 N 1.52 3.47 0.25 2.72 1.75 -0.04 0.25 119.30 129.22 2whx s MET 283 Ca 0.03 -0.66 -0.07 0.00 -1.25 0.00 0.00 55.69 53.75 2whx s MET 283 Cb -0.17 -3.75 -0.06 0.00 2.84 0.00 0.00 34.83 33.69 2whx s MET 283 CO 0.03 -0.43 0.53 0.34 -0.65 0.00 0.00 175.02 174.84 2whx s ASP 284 N 1.70 6.52 -1.26 1.11 3.68 0.30 -0.85 116.67 127.86 2whx s ASP 284 Ca 0.06 0.78 -0.12 0.00 2.13 0.00 0.00 52.55 55.40 2whx s ASP 284 Cb -0.17 -2.17 -0.00 0.00 -1.45 0.00 0.00 42.92 39.13 2whx s ASP 284 CO 0.10 -0.12 0.62 -0.62 0.13 0.00 0.00 175.17 175.28 2whx n GLU 285 N -0.51 -2.22 0.00 4.34 -0.58 -0.71 -4.32 120.64 116.64 2whx n GLU 285 Ca -0.01 0.42 0.04 0.00 -0.42 0.00 0.00 57.16 57.19 2whx n GLU 285 Cb 0.53 -4.25 0.23 0.00 -0.57 0.00 0.00 31.44 27.38 2whx n GLU 285 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2whx n ALA 286 N -4.33 2.34 0.53 0.62 0.00 -0.57 -2.74 120.51 116.36 2whx n ALA 286 Ca -0.20 -0.05 0.13 0.00 0.00 0.00 0.00 53.44 53.32 2whx n ALA 286 Cb 0.63 -1.12 0.30 0.00 0.00 0.00 0.00 19.45 19.26 2whx n ALA 286 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 2whx h HIS 287 N 0.00 0.00 -1.45 0.00 2.07 -1.82 -3.47 115.15 110.49 2whx h HIS 287 Ca 0.00 0.00 -0.75 0.00 -2.85 0.00 0.00 60.37 56.77 2whx h HIS 287 Cb 0.00 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.01 2whx h HIS 287 CO 0.00 0.00 0.67 0.34 -3.07 0.00 0.00 177.93 175.87 2whx n PHE 288 N -2.39 1.73 -0.32 6.12 -0.00 -1.11 -4.86 117.46 116.64 2whx n PHE 288 Ca 0.05 0.70 0.08 0.00 -0.00 0.00 0.00 57.45 58.28 2whx n PHE 288 Cb 0.45 -2.36 0.22 0.00 -0.00 0.00 0.00 39.48 37.80 2whx n PHE 288 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2whx n THR 289 N 3.66 1.16 -1.99 -2.13 -2.24 -1.26 -4.29 114.28 107.19 2whx n THR 289 Ca 0.24 -1.08 -0.41 0.00 -2.27 0.00 0.00 64.05 60.54 2whx n THR 289 Cb 0.11 0.42 -0.01 0.00 -2.10 0.00 0.00 70.33 68.75 2whx n THR 289 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2whx s ASP 290 N -1.06 6.60 0.32 3.42 1.11 -1.26 -4.78 116.67 121.02 2whx s ASP 290 Ca 0.34 2.82 0.08 0.00 0.18 0.00 0.00 52.55 55.97 2whx s ASP 290 Cb 0.19 -2.65 0.90 0.00 1.07 0.00 0.00 42.92 42.42 2whx s ASP 290 CO 0.21 -0.68 1.66 -0.65 1.18 0.00 0.00 175.17 176.89 2whx h PRO 291 N 3.41 0.28 -0.41 8.23 0.11 -1.93 0.20 132.00 141.89 2whx h PRO 291 Ca -0.49 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.56 2whx h PRO 291 Cb 1.23 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.26 2whx h PRO 291 CO 0.66 0.19 0.09 0.00 -0.21 0.00 0.00 178.00 178.73 2whx h SER 293 N 0.59 0.90 -0.24 0.00 0.02 -0.93 -1.95 113.55 111.93 2whx h SER 293 Ca 0.14 -0.68 -0.00 0.00 -0.84 0.00 0.00 61.79 60.40 2whx h SER 293 Cb 0.24 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 2whx h SER 293 CO -0.00 1.45 0.14 0.58 -1.14 0.00 0.00 176.83 177.86 2whx h VAL 294 N 0.42 1.09 -0.68 2.27 2.07 -1.19 -1.76 116.25 118.46 2whx h VAL 294 Ca -0.09 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.18 2whx h VAL 294 Cb 1.51 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2whx h VAL 294 CO 0.17 0.09 0.27 0.00 0.02 0.00 0.00 177.57 178.12 2whx h ALA 295 N 1.05 1.18 -0.50 1.67 0.00 -0.88 -2.42 119.26 119.36 2whx h ALA 295 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 2whx h ALA 295 Cb 0.01 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2whx h ALA 295 CO -0.02 0.59 0.28 0.00 0.00 0.00 0.00 179.25 180.11 2whx h ALA 296 N 1.30 0.64 -0.70 0.00 0.00 -1.10 -1.22 119.26 118.17 2whx h ALA 296 Ca 0.23 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.08 2whx h ALA 296 Cb 0.20 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 2whx h ALA 296 CO -0.02 0.14 0.45 0.00 0.00 0.00 0.00 179.25 179.83 2whx h ARG 297 N 0.66 0.87 -0.52 0.00 3.08 -1.08 0.24 114.38 117.63 2whx h ARG 297 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2whx h ARG 297 Cb 0.03 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.86 2whx h ARG 297 CO -0.03 0.58 0.26 0.78 -1.07 0.00 0.00 179.97 180.49 2whx h GLY 298 N 0.90 0.80 0.87 0.04 0.00 -1.12 0.24 103.07 104.79 2whx h GLY 298 Ca 0.27 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 2whx h GLY 298 CO -0.09 0.37 0.01 -1.82 0.00 0.00 0.00 176.54 175.01 2whx h TYR 299 N 0.70 0.52 -0.88 5.60 3.20 -0.89 -0.65 116.97 124.57 2whx h TYR 299 Ca 0.18 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.98 2whx h TYR 299 Cb 0.09 -0.14 -0.04 0.00 1.54 0.00 0.00 36.73 38.18 2whx h TYR 299 CO -0.01 0.62 0.58 0.82 -1.64 0.00 0.00 178.16 178.54 2whx h ILE 300 N 0.28 1.21 -0.55 1.81 2.04 -0.86 -0.07 117.51 121.38 2whx h ILE 300 Ca 0.08 -0.40 -0.11 0.00 1.00 0.00 0.00 64.86 65.42 2whx h ILE 300 Cb 0.40 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 36.40 2whx h ILE 300 CO 0.01 0.22 -0.09 -1.28 0.00 0.00 0.00 178.15 177.00 2whx h SER 301 N 1.18 1.03 -0.56 1.72 0.87 -0.76 -0.33 113.55 116.70 2whx h SER 301 Ca 0.33 -0.35 -0.04 0.00 -1.23 0.00 0.00 61.79 60.50 2whx h SER 301 Cb -0.11 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.55 2whx h SER 301 CO -0.08 1.13 0.18 0.74 -0.53 0.00 0.00 176.83 178.28 2whx h THR 302 N 0.91 1.24 -0.77 2.23 2.02 -0.66 -0.69 112.91 117.19 2whx h THR 302 Ca 0.14 -0.79 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 2whx h THR 302 Cb 0.66 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.73 2whx h THR 302 CO 0.05 0.30 0.43 0.03 0.37 0.00 0.00 175.52 176.69 2whx h ARG 303 N 0.78 1.07 -0.21 6.66 2.47 -0.77 -0.03 114.38 124.34 2whx h ARG 303 Ca 0.18 -0.12 -0.03 0.00 -1.26 0.00 0.00 59.98 58.76 2whx h ARG 303 Cb 0.27 -0.21 -0.01 0.00 -1.65 0.00 0.00 29.97 28.37 2whx h ARG 303 CO -0.01 0.78 0.03 -0.24 0.56 0.00 0.00 179.97 181.09 2whx h VAL 304 N 1.07 1.23 -0.75 2.04 3.04 -0.77 -2.57 116.25 119.55 2whx h VAL 304 Ca 0.27 -0.76 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2whx h VAL 304 Cb 0.02 1.32 -0.04 0.00 -2.01 0.00 0.00 31.29 30.58 2whx h VAL 304 CO -0.05 0.24 0.42 -0.08 -1.01 0.00 0.00 177.57 177.09 2whx h GLU 305 N 0.15 1.03 0.00 4.17 4.57 -0.58 -1.39 114.58 122.53 2whx h GLU 305 Ca 0.06 -0.11 -0.04 0.00 -1.18 0.00 0.00 59.36 58.10 2whx h GLU 305 Cb 0.33 -0.21 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2whx h GLU 305 CO 0.00 0.74 -0.18 0.52 -1.18 0.00 0.00 179.01 178.92 2whx h MET 306 N 1.04 0.00 0.00 1.92 2.86 -1.02 -3.47 114.93 116.26 2whx h MET 306 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2whx h MET 306 Cb 0.01 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.67 2whx h MET 306 CO -0.05 0.18 0.00 0.41 1.06 0.00 0.00 176.91 178.51 2whx n GLY 307 N -0.60 0.99 0.03 8.32 0.00 -0.52 -5.00 105.19 108.41 2whx n GLY 307 Ca -0.02 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.12 2whx n GLY 307 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2whx n GLU 308 N -1.73 0.15 -3.72 1.61 4.71 -0.98 -4.43 120.64 116.26 2whx n GLU 308 Ca 0.00 0.04 -0.11 0.00 -0.01 0.00 0.00 57.16 57.08 2whx n GLU 308 Cb 0.00 -1.59 -0.06 0.00 -1.01 0.00 0.00 31.44 28.77 2whx n GLU 308 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2whx s ALA 309 N -3.09 -0.75 0.08 0.62 0.00 -1.20 -4.34 121.76 113.08 2whx s ALA 309 Ca 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 52.00 2whx s ALA 309 Cb 0.15 0.44 -0.05 0.00 0.00 0.00 0.00 23.12 23.67 2whx s ALA 309 CO 0.70 -0.49 0.27 0.00 0.00 0.00 0.00 175.76 176.24 2whx s ALA 310 N -3.03 3.92 0.01 0.00 0.00 0.43 -1.64 121.76 121.45 2whx s ALA 310 Ca -0.02 -0.72 0.01 0.00 0.00 0.00 0.00 51.96 51.23 2whx s ALA 310 Cb 0.01 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2whx s ALA 310 CO -0.06 0.76 -0.04 0.00 0.00 0.00 0.00 175.76 176.41 2whx s ALA 311 N -1.53 0.34 -0.10 0.00 0.00 -0.51 -1.73 121.76 118.23 2whx s ALA 311 Ca 0.36 -0.36 -0.00 0.00 0.00 0.00 0.00 51.96 51.96 2whx s ALA 311 Cb -0.13 -0.02 0.02 0.00 0.00 0.00 0.00 23.12 23.00 2whx s ALA 311 CO 0.25 0.02 -0.06 0.42 0.00 0.00 0.00 175.76 176.39 2whx s ILE 312 N -0.57 0.86 -0.30 0.00 1.01 -0.08 -0.70 121.20 121.42 2whx s ILE 312 Ca -0.04 -0.19 -0.10 0.00 0.00 0.00 0.00 60.65 60.32 2whx s ILE 312 Cb -0.05 -0.91 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 2whx s ILE 312 CO -0.00 0.34 0.16 -0.36 0.00 0.00 0.00 174.94 175.08 2whx s PHE 313 N 1.71 3.18 -0.38 3.97 0.08 0.09 -0.86 117.98 125.77 2whx s PHE 313 Ca 0.04 -0.29 -0.14 0.00 0.12 0.00 0.00 56.93 56.65 2whx s PHE 313 Cb -0.13 -2.36 0.00 0.00 -0.57 0.00 0.00 43.02 39.97 2whx s PHE 313 CO -0.07 -0.34 0.28 -1.64 -0.10 0.00 0.00 175.22 173.35 2whx s MET 314 N 1.67 3.23 -0.29 0.44 -1.94 -0.03 -0.47 119.30 121.93 2whx s MET 314 Ca 0.06 -0.82 -0.19 0.00 -1.71 0.00 0.00 55.69 53.03 2whx s MET 314 Cb -0.16 -3.90 0.15 0.00 2.01 0.00 0.00 34.83 32.93 2whx s MET 314 CO 0.08 -0.61 1.04 -0.08 -0.01 0.00 0.00 175.02 175.44 2whx s THR 315 N 1.73 0.00 0.38 2.05 -1.32 -0.75 -1.51 115.64 116.22 2whx s THR 315 Ca 0.06 0.00 0.34 0.00 -1.21 0.00 0.00 61.69 60.88 2whx s THR 315 Cb -0.18 -1.00 0.37 0.00 -1.51 0.00 0.00 72.50 70.18 2whx s THR 315 CO 0.10 0.00 2.12 0.00 -2.21 0.00 0.00 174.62 174.64 2whx h ALA 316 N 5.33 1.11 -2.48 11.08 0.00 -1.77 -3.35 119.26 129.17 2whx h ALA 316 Ca -0.28 -0.05 -0.60 0.00 0.00 0.00 0.00 54.91 53.98 2whx h ALA 316 Cb 1.19 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 18.55 2whx h ALA 316 CO 0.17 0.06 -0.65 0.25 0.00 0.00 0.00 179.25 179.09 2whx n THR 317 N -3.30 1.70 -1.23 0.00 -2.24 -1.26 -4.89 114.28 103.05 2whx n THR 317 Ca -0.01 -4.92 -0.30 0.00 -2.27 0.00 0.00 64.05 56.55 2whx n THR 317 Cb 0.22 -2.09 0.14 0.00 -2.10 0.00 0.00 70.33 66.49 2whx n THR 317 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2whx s PRO 318 N -1.91 1.25 -0.00 -0.78 0.04 -1.26 -4.56 135.00 127.77 2whx s PRO 318 Ca 0.34 0.77 -0.38 0.00 0.04 0.00 0.00 61.00 61.77 2whx s PRO 318 Cb 0.08 -1.81 -0.18 0.00 0.04 0.00 0.00 34.50 32.63 2whx s PRO 318 CO -0.08 -2.23 1.31 -2.30 0.04 0.00 0.00 177.00 173.74 2whx n PRO 319 N -3.87 0.77 -0.08 0.56 -0.02 -1.26 -1.90 135.00 129.18 2whx n PRO 319 Ca 0.07 0.28 0.00 0.00 -2.02 0.00 0.00 63.50 61.82 2whx n PRO 319 Cb 0.56 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 2whx n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2whx n GLY 320 N 2.46 0.66 3.71 -1.23 0.00 -1.26 -5.01 105.19 104.52 2whx n GLY 320 Ca 0.20 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.79 2whx n GLY 320 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2whx n SER 321 N 0.00 3.51 -0.01 1.61 7.64 -0.80 -4.92 113.62 120.65 2whx n SER 321 Ca 0.00 1.13 0.01 0.00 1.01 0.00 0.00 58.87 61.02 2whx n SER 321 Cb 0.00 -1.53 -0.04 0.00 -1.01 0.00 0.00 64.21 61.63 2whx n SER 321 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 2whx n THR 322 N 2.42 0.12 -2.88 0.44 -2.24 -1.26 -4.16 114.28 106.72 2whx n THR 322 Ca 0.11 -0.14 -0.43 0.00 -2.27 0.00 0.00 64.05 61.32 2whx n THR 322 Cb 0.34 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.42 2whx n THR 322 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2whx s ASP 323 N -2.94 6.47 0.07 3.42 3.68 -1.26 -4.82 116.67 121.29 2whx s ASP 323 Ca -0.02 0.05 0.28 0.00 2.13 0.00 0.00 52.55 54.99 2whx s ASP 323 Cb 0.02 -2.43 1.07 0.00 -1.45 0.00 0.00 42.92 40.14 2whx s ASP 323 CO 0.19 -0.99 1.86 -0.81 0.13 0.00 0.00 175.17 175.56 2whx n PRO 324 N 6.97 0.09 -2.96 4.34 -0.05 -1.26 -4.31 135.00 137.82 2whx n PRO 324 Ca 0.05 0.07 -0.26 0.00 -0.05 0.00 0.00 63.50 63.31 2whx n PRO 324 Cb 0.48 -1.60 -0.04 0.00 -0.05 0.00 0.00 33.50 32.30 2whx n PRO 324 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 175.50 176.64 2whx n PHE 325 N -1.75 3.60 -1.25 0.54 3.72 -1.26 -3.78 117.46 117.28 2whx n PHE 325 Ca 0.06 -3.96 -0.29 0.00 -0.05 0.00 0.00 57.45 53.22 2whx n PHE 325 Cb 0.37 -0.47 0.19 0.00 -0.94 0.00 0.00 39.48 38.62 2whx n PHE 325 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2whx s PRO 326 N -3.36 0.13 0.53 -1.08 0.04 -1.26 -4.99 135.00 125.01 2whx s PRO 326 Ca 0.48 0.28 -0.22 0.00 0.04 0.00 0.00 61.00 61.58 2whx s PRO 326 Cb 0.29 -1.72 -0.06 0.00 0.04 0.00 0.00 34.50 33.05 2whx s PRO 326 CO -0.13 -2.88 1.21 0.94 0.04 0.00 0.00 177.00 176.18 2whx n GLN 327 N -4.24 1.48 -4.25 4.56 7.27 -1.26 -5.03 117.38 115.91 2whx n GLN 327 Ca 0.08 0.54 -0.14 0.00 0.07 0.00 0.00 57.00 57.55 2whx n GLN 327 Cb 0.58 -2.40 -0.10 0.00 2.41 0.00 0.00 30.24 30.74 2whx n GLN 327 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2whx s SER 328 N -0.94 1.48 0.30 1.69 1.04 -1.26 -4.23 113.70 111.78 2whx s SER 328 Ca 0.71 -1.12 0.03 0.00 0.48 0.00 0.00 55.95 56.05 2whx s SER 328 Cb -0.44 0.06 0.47 0.00 0.10 0.00 0.00 66.02 66.21 2whx s SER 328 CO 0.50 -0.48 1.77 0.78 0.98 0.00 0.00 173.24 176.79 2whx h ASN 329 N 2.70 0.49 -3.53 7.02 -0.26 -1.68 -3.44 115.58 116.88 2whx h ASN 329 Ca -0.37 -0.14 -0.49 0.00 -0.56 0.00 0.00 56.30 54.75 2whx h ASN 329 Cb 1.20 -0.13 -0.17 0.00 -1.06 0.00 0.00 38.32 38.16 2whx h ASN 329 CO 0.63 0.68 -0.77 -0.44 -1.06 0.00 0.00 177.43 176.48 2whx s SER 330 N -6.78 2.55 0.37 5.81 0.01 0.27 -4.72 113.70 111.21 2whx s SER 330 Ca -0.07 -0.90 -0.28 0.00 1.31 0.00 0.00 55.95 56.01 2whx s SER 330 Cb 0.14 -0.14 -0.11 0.00 0.21 0.00 0.00 66.02 66.13 2whx s SER 330 CO 0.78 -0.09 1.48 -2.16 0.41 0.00 0.00 173.24 173.67 2whx s PRO 331 N -3.00 4.12 -0.07 12.44 0.04 -1.26 -4.76 135.00 142.51 2whx s PRO 331 Ca 0.16 2.56 0.01 0.00 0.04 0.00 0.00 61.00 63.77 2whx s PRO 331 Cb -0.04 -2.97 -0.03 0.00 0.04 0.00 0.00 34.50 31.49 2whx s PRO 331 CO 0.06 -0.52 -0.09 0.42 0.04 0.00 0.00 177.00 176.91 2whx s ILE 332 N -1.07 3.50 -0.44 0.56 1.01 -1.26 -4.22 121.20 119.28 2whx s ILE 332 Ca 0.53 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 60.44 2whx s ILE 332 Cb -0.46 -2.42 0.03 0.00 0.01 0.00 0.00 42.46 39.61 2whx s ILE 332 CO 0.62 0.59 0.54 -0.70 0.00 0.00 0.00 174.94 175.99 2whx s GLU 333 N -0.66 3.16 -0.55 2.79 2.12 -0.62 -4.95 118.70 119.98 2whx s GLU 333 Ca 0.10 -0.65 -0.23 0.00 0.36 0.00 0.00 54.97 54.55 2whx s GLU 333 Cb -0.11 -3.98 0.05 0.00 0.26 0.00 0.00 34.13 30.34 2whx s GLU 333 CO 0.01 -0.97 0.87 -0.51 -0.54 0.00 0.00 175.26 174.13 2whx s ASP 334 N 2.02 6.29 -0.23 -1.70 1.01 -1.26 -0.07 116.67 122.73 2whx s ASP 334 Ca 0.16 -0.57 -0.05 0.00 0.71 0.00 0.00 52.55 52.81 2whx s ASP 334 Cb -0.16 -2.40 -0.01 0.00 1.01 0.00 0.00 42.92 41.36 2whx s ASP 334 CO 0.15 -1.17 -0.01 -0.63 0.21 0.00 0.00 175.17 173.71 2whx s ILE 335 N 3.64 3.57 -0.27 0.77 1.01 0.14 -4.98 121.20 125.08 2whx s ILE 335 Ca 0.26 -0.46 -0.11 0.00 0.00 0.00 0.00 60.65 60.34 2whx s ILE 335 Cb -0.15 -2.65 -0.05 0.00 0.01 0.00 0.00 42.46 39.62 2whx s ILE 335 CO 0.16 0.38 0.17 -0.70 0.00 0.00 0.00 174.94 174.96 2whx s GLU 336 N 1.50 3.96 0.04 2.79 2.12 -1.26 -0.49 118.70 127.37 2whx s GLU 336 Ca 0.06 -0.32 -0.28 0.00 0.36 0.00 0.00 54.97 54.79 2whx s GLU 336 Cb -0.15 -3.61 0.09 0.00 0.26 0.00 0.00 34.13 30.73 2whx s GLU 336 CO -0.02 -0.12 0.94 -0.98 -0.54 0.00 0.00 175.26 174.55 2whx s ARG 337 N 1.56 0.92 0.28 4.30 1.70 -0.79 -4.96 118.95 121.96 2whx s ARG 337 Ca 0.07 -0.42 -0.30 0.00 -0.47 0.00 0.00 55.73 54.61 2whx s ARG 337 Cb -0.15 0.37 -0.12 0.00 -0.57 0.00 0.00 34.95 34.48 2whx s ARG 337 CO 0.09 -0.41 1.63 -1.91 -1.08 0.00 0.00 175.30 173.62 2whx n GLU 338 N -0.33 2.76 -5.04 3.89 2.13 -1.26 -4.30 120.64 118.49 2whx n GLU 338 Ca -0.07 0.98 -0.29 0.00 0.66 0.00 0.00 57.16 58.44 2whx n GLU 338 Cb 0.61 -2.79 -0.16 0.00 0.27 0.00 0.00 31.44 29.37 2whx n GLU 338 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 2whx s ILE 339 N 0.23 1.74 0.51 6.31 1.01 -1.26 -5.07 121.20 124.66 2whx s ILE 339 Ca 0.66 -0.88 -0.22 0.00 0.00 0.00 0.00 60.65 60.20 2whx s ILE 339 Cb -0.49 -1.49 -0.06 0.00 0.01 0.00 0.00 42.46 40.44 2whx s ILE 339 CO 0.45 0.49 1.30 -2.84 0.00 0.00 0.00 174.94 174.35 2whx s PRO 340 N 0.02 3.39 0.04 2.79 0.02 -1.26 -4.94 135.00 135.06 2whx s PRO 340 Ca -0.06 2.11 0.20 0.00 0.02 0.00 0.00 61.00 63.27 2whx s PRO 340 Cb -0.13 -2.35 -0.18 0.00 0.02 0.00 0.00 34.50 31.86 2whx s PRO 340 CO 0.04 -0.95 0.68 0.39 -0.33 0.00 0.00 177.00 176.82 2whx n GLU 341 N -0.76 0.64 -1.33 5.54 1.02 -1.26 -5.02 120.64 119.47 2whx n GLU 341 Ca 0.09 0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.25 2whx n GLU 341 Cb 0.46 -1.68 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 2whx n GLU 341 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2whx n ARG 342 N -2.60 0.00 -1.54 3.49 1.85 -1.26 -4.86 116.66 111.74 2whx n ARG 342 Ca -0.08 0.00 -0.47 0.00 -1.00 0.00 0.00 57.85 56.30 2whx n ARG 342 Cb 0.71 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 32.09 2whx n ARG 342 CO 0.00 0.00 0.00 0.45 -0.01 0.00 0.00 177.63 178.07 2whx n SER 343 N -1.77 0.70 -4.27 2.89 2.88 -1.26 -4.86 113.62 107.94 2whx n SER 343 Ca 0.00 1.15 -0.21 0.00 -1.33 0.00 0.00 58.87 58.48 2whx n SER 343 Cb 0.00 -1.17 -0.12 0.00 -0.75 0.00 0.00 64.21 62.17 2whx n SER 343 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 2whx s TRP 344 N -0.69 1.61 -0.08 0.66 -2.14 -1.26 -5.06 118.94 111.97 2whx s TRP 344 Ca 0.66 -0.47 0.10 0.00 2.66 0.00 0.00 56.10 59.06 2whx s TRP 344 Cb -0.83 -0.86 -0.15 0.00 -3.10 0.00 0.00 33.47 28.53 2whx s TRP 344 CO 0.56 0.20 0.25 0.09 -2.66 0.00 0.00 176.95 175.39 2whx n ASN 345 N 0.80 2.35 -3.74 -2.66 4.13 -1.26 -5.07 115.26 109.81 2whx n ASN 345 Ca -0.17 -0.10 -0.05 0.00 1.68 0.00 0.00 54.58 55.94 2whx n ASN 345 Cb 0.55 1.41 -0.02 0.00 -1.54 0.00 0.00 39.78 40.18 2whx n ASN 345 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2whx s THR 346 N -2.61 0.00 0.00 3.41 -4.23 -1.26 -5.03 115.64 105.91 2whx s THR 346 Ca -0.03 -0.63 0.00 0.00 -1.18 0.00 0.00 61.69 59.85 2whx s THR 346 Cb 0.07 -1.88 0.00 0.00 1.34 0.00 0.00 72.50 72.03 2whx s THR 346 CO 0.43 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 2whx n GLY 347 N -0.45 0.67 2.68 3.99 0.00 -1.26 -4.87 105.19 105.95 2whx n GLY 347 Ca -0.06 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.89 2whx n GLY 347 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2whx n PHE 348 N -2.62 1.51 0.02 1.61 3.72 -1.26 -4.90 117.46 115.54 2whx n PHE 348 Ca 0.00 -2.35 0.12 0.00 -0.05 0.00 0.00 57.45 55.17 2whx n PHE 348 Cb 0.00 -0.27 0.57 0.00 -0.94 0.00 0.00 39.48 38.84 2whx n PHE 348 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2whx h ASP 349 N 2.65 0.21 -0.14 4.37 3.45 -2.01 -1.05 116.42 123.90 2whx h ASP 349 Ca -0.05 0.00 0.04 0.00 0.43 0.00 0.00 57.03 57.45 2whx h ASP 349 Cb 1.27 -0.04 -0.01 0.00 -0.56 0.00 0.00 39.33 39.99 2whx h ASP 349 CO 0.36 0.13 0.20 4.11 -1.57 0.00 0.00 179.24 182.47 2whx h TRP 350 N 0.24 0.00 0.04 4.55 5.08 -1.98 0.61 115.95 124.49 2whx h TRP 350 Ca 0.19 0.00 -0.00 0.00 1.08 0.00 0.00 58.89 60.16 2whx h TRP 350 Cb 0.46 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.62 2whx h TRP 350 CO -0.00 0.00 -0.02 0.82 -1.28 0.00 0.00 178.44 177.96 2whx h ILE 351 N 0.00 1.32 0.00 0.12 2.04 -1.60 -3.27 117.51 116.12 2whx h ILE 351 Ca 0.07 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2whx h ILE 351 Cb 0.47 2.13 0.00 0.00 -0.74 0.00 0.00 36.82 38.67 2whx h ILE 351 CO -0.00 0.31 -1.04 0.35 0.00 0.00 0.00 178.15 177.77 2whx n THR 352 N -4.86 0.39 0.21 -0.27 -2.24 -0.99 -3.83 114.28 102.69 2whx n THR 352 Ca -0.09 -0.41 0.09 0.00 -2.27 0.00 0.00 64.05 61.38 2whx n THR 352 Cb 0.27 -0.12 0.31 0.00 -2.10 0.00 0.00 70.33 68.70 2whx n THR 352 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2whx h ASP 353 N 0.00 0.00 -3.01 3.42 3.45 -1.03 -3.45 116.42 115.80 2whx h ASP 353 Ca 0.00 0.00 -0.55 0.00 0.43 0.00 0.00 57.03 56.91 2whx h ASP 353 Cb 0.88 0.00 0.08 0.00 -0.56 0.00 0.00 39.33 39.73 2whx h ASP 353 CO 0.00 0.23 0.82 0.00 -1.57 0.00 0.00 179.24 178.72 2whx n TYR 354 N -3.26 2.63 0.96 4.55 9.36 -1.23 -4.93 117.16 125.25 2whx n TYR 354 Ca 0.01 0.28 0.12 0.00 3.32 0.00 0.00 57.90 61.64 2whx n TYR 354 Cb 0.52 -2.57 0.15 0.00 -0.63 0.00 0.00 39.34 36.81 2whx n TYR 354 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2whx n GLN 355 N 2.35 2.29 -0.09 2.98 6.02 -1.26 -4.94 117.38 124.73 2whx n GLN 355 Ca 0.10 -1.89 0.00 0.00 -0.01 0.00 0.00 57.00 55.21 2whx n GLN 355 Cb 0.35 -1.47 0.00 0.00 1.02 0.00 0.00 30.24 30.14 2whx n GLN 355 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2whx n GLY 356 N 1.35 4.97 3.88 1.08 0.00 -1.26 -5.13 105.19 110.07 2whx n GLY 356 Ca 0.15 -2.04 -0.36 0.00 0.00 0.00 0.00 46.02 43.77 2whx n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx s LYS 357 N 1.70 3.58 -0.03 1.61 1.02 -1.26 -4.94 119.74 121.42 2whx s LYS 357 Ca 0.00 -0.03 0.06 0.00 0.02 0.00 0.00 55.97 56.02 2whx s LYS 357 Cb 0.00 -3.13 -0.01 0.00 -0.52 0.00 0.00 37.83 34.17 2whx s LYS 357 CO 0.00 0.69 -0.21 0.99 -0.92 0.00 0.00 175.35 175.90 2whx s THR 358 N -1.20 1.70 -0.25 2.17 2.01 -0.54 -1.70 115.64 117.84 2whx s THR 358 Ca 0.24 -0.89 -0.08 0.00 0.31 0.00 0.00 61.69 61.26 2whx s THR 358 Cb -0.13 -1.44 -0.04 0.00 0.01 0.00 0.00 72.50 70.91 2whx s THR 358 CO 0.13 0.48 0.10 -0.69 -0.69 0.00 0.00 174.62 173.95 2whx s VAL 359 N -0.25 4.61 -0.21 3.82 1.01 0.35 -0.67 120.40 129.07 2whx s VAL 359 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2whx s VAL 359 Cb -0.11 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2whx s VAL 359 CO 0.01 0.33 -0.15 0.86 0.00 0.00 0.00 175.10 176.15 2whx s TRP 360 N 1.50 2.95 -0.27 5.22 -0.11 0.98 -0.48 118.94 128.74 2whx s TRP 360 Ca 0.06 -1.78 -0.22 0.00 1.22 0.00 0.00 56.10 55.39 2whx s TRP 360 Cb -0.15 -1.95 -0.01 0.00 -1.50 0.00 0.00 33.47 29.86 2whx s TRP 360 CO 0.05 -0.81 0.70 -0.06 -4.62 0.00 0.00 176.95 172.22 2whx s PHE 361 N 1.26 3.27 0.20 5.86 0.40 -0.58 -0.93 117.98 127.45 2whx s PHE 361 Ca 0.01 0.86 0.07 0.00 -0.60 0.00 0.00 56.93 57.27 2whx s PHE 361 Cb -0.15 -2.97 -0.04 0.00 0.51 0.00 0.00 43.02 40.36 2whx s PHE 361 CO -0.09 -0.40 0.12 0.14 0.70 0.00 0.00 175.22 175.68 2whx s VAL 362 N 2.68 4.24 0.10 -0.44 -7.23 0.83 -4.35 120.40 116.23 2whx s VAL 362 Ca 0.29 -1.33 0.23 0.00 -1.81 0.00 0.00 61.98 59.36 2whx s VAL 362 Cb -0.15 -3.21 0.21 0.00 0.56 0.00 0.00 36.38 33.79 2whx s VAL 362 CO 0.09 -0.21 1.78 1.55 -0.31 0.00 0.00 175.10 178.00 2whx h PRO 363 N 2.11 0.00 -3.34 4.82 0.13 -1.87 -3.39 132.00 130.46 2whx h PRO 363 Ca -0.47 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.63 2whx h PRO 363 Cb 1.22 0.00 -0.10 0.00 0.13 0.00 0.00 31.00 32.25 2whx h PRO 363 CO 0.61 0.26 0.01 -1.54 -0.23 0.00 0.00 178.00 177.11 2whx s SER 364 N -6.25 -0.24 0.15 1.44 1.04 -1.26 -2.98 113.70 105.60 2whx s SER 364 Ca 0.01 -0.52 -0.17 0.00 0.48 0.00 0.00 55.95 55.75 2whx s SER 364 Cb 0.10 0.57 -0.00 0.00 0.10 0.00 0.00 66.02 66.79 2whx s SER 364 CO 0.65 -1.05 1.81 0.40 0.98 0.00 0.00 173.24 176.03 2whx h ILE 365 N 2.21 1.09 -0.64 -1.02 5.03 -1.91 -0.39 117.51 121.88 2whx h ILE 365 Ca -0.29 -0.17 0.02 0.00 -0.12 0.00 0.00 64.86 64.30 2whx h ILE 365 Cb 1.26 0.55 -0.04 0.00 -3.03 0.00 0.00 36.82 35.57 2whx h ILE 365 CO 0.37 0.09 0.41 0.50 -0.68 0.00 0.00 178.15 178.85 2whx h LYS 366 N 0.49 0.81 -0.77 2.37 1.63 -1.97 0.35 116.57 119.48 2whx h LYS 366 Ca 0.13 -0.05 -0.05 0.00 -0.85 0.00 0.00 60.65 59.84 2whx h LYS 366 Cb -0.06 -0.18 -0.03 0.00 -0.60 0.00 0.00 32.23 31.36 2whx h LYS 366 CO -0.03 0.53 0.28 0.00 -3.45 0.00 0.00 179.45 176.79 2whx h ALA 367 N 1.25 1.05 -0.79 5.00 0.00 -1.89 -2.18 119.26 121.70 2whx h ALA 367 Ca 0.24 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 2whx h ALA 367 Cb -0.05 -0.30 -0.04 0.00 0.00 0.00 0.00 17.79 17.40 2whx h ALA 367 CO -0.07 0.66 0.45 0.78 0.00 0.00 0.00 179.25 181.07 2whx h GLY 368 N 1.14 1.17 1.28 0.00 0.00 -0.11 -1.60 103.07 104.95 2whx h GLY 368 Ca 0.25 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2whx h GLY 368 CO -0.02 0.49 0.24 3.43 0.00 0.00 0.00 176.54 180.68 2whx h ASN 369 N 1.10 0.84 -0.18 0.19 2.35 0.12 0.10 115.58 120.10 2whx h ASN 369 Ca 0.28 -0.12 -0.10 0.00 -0.55 0.00 0.00 56.30 55.82 2whx h ASN 369 Cb 0.01 -0.22 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 2whx h ASN 369 CO -0.05 0.77 -0.27 0.44 -1.65 0.00 0.00 177.43 176.67 2whx h ASP 370 N 0.90 0.55 -0.11 5.81 3.45 -1.07 -2.10 116.42 123.84 2whx h ASP 370 Ca 0.21 -0.52 -0.03 0.00 0.43 0.00 0.00 57.03 57.12 2whx h ASP 370 Cb 0.20 -0.16 -0.00 0.00 -0.56 0.00 0.00 39.33 38.81 2whx h ASP 370 CO -0.02 0.96 -0.04 0.40 -1.57 0.00 0.00 179.24 178.97 2whx h ILE 371 N 0.15 1.31 -0.65 0.35 1.08 -1.16 -2.38 117.51 116.20 2whx h ILE 371 Ca 0.02 -1.03 0.04 0.00 -0.39 0.00 0.00 64.86 63.50 2whx h ILE 371 Cb 0.84 1.76 -0.05 0.00 -3.07 0.00 0.00 36.82 36.30 2whx h ILE 371 CO 0.06 0.29 0.38 0.00 -0.69 0.00 0.00 178.15 178.20 2whx h ALA 372 N 0.66 0.87 -0.87 1.87 0.00 -1.05 -1.07 119.26 119.67 2whx h ALA 372 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 54.91 54.94 2whx h ALA 372 Cb 0.48 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 2whx h ALA 372 CO 0.01 0.09 0.57 -0.97 0.00 0.00 0.00 179.25 178.96 2whx h ASN 373 N 0.73 1.01 -0.34 0.00 -0.73 -1.35 -1.58 115.58 113.31 2whx h ASN 373 Ca 0.28 -0.03 -0.06 0.00 1.87 0.00 0.00 56.30 58.35 2whx h ASN 373 Cb 0.11 -0.25 -0.01 0.00 0.27 0.00 0.00 38.32 38.43 2whx h ASN 373 CO -0.15 0.74 -0.03 0.00 -0.37 0.00 0.00 177.43 177.62 2whx h LEU 375 N 0.43 0.83 -1.53 0.00 3.38 -1.03 -2.77 115.31 114.62 2whx h LEU 375 Ca 0.09 -0.12 -0.05 0.00 0.09 0.00 0.00 57.88 57.90 2whx h LEU 375 Cb 0.51 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2whx h LEU 375 CO 0.02 0.71 -0.24 0.03 0.09 0.00 0.00 178.44 179.05 2whx h ARG 376 N 0.89 0.00 -0.07 1.13 3.08 -1.26 -1.70 114.38 116.44 2whx h ARG 376 Ca 0.23 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.24 2whx h ARG 376 Cb 0.08 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2whx h ARG 376 CO -0.03 0.24 -0.11 -0.22 -1.07 0.00 0.00 179.97 178.78 2whx h LYS 377 N 0.00 0.11 -0.49 0.04 3.11 -1.16 -0.65 116.57 117.52 2whx h LYS 377 Ca -0.00 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2whx h LYS 377 Cb 0.50 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.72 2whx h LYS 377 CO 0.03 0.22 0.00 0.43 -2.81 0.00 0.00 179.45 177.32 2whx n SER 378 N -4.35 2.24 -0.71 4.20 7.64 -0.75 -4.90 113.62 116.98 2whx n SER 378 Ca -0.02 -2.13 -0.08 0.00 1.01 0.00 0.00 58.87 57.65 2whx n SER 378 Cb 0.21 -0.34 -0.02 0.00 -1.01 0.00 0.00 64.21 63.05 2whx n SER 378 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2whx n GLY 379 N 0.80 0.57 3.79 0.23 0.00 -0.25 -5.03 105.19 105.29 2whx n GLY 379 Ca 0.12 -0.64 -0.39 0.00 0.00 0.00 0.00 46.02 45.11 2whx n GLY 379 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx s LYS 380 N -3.41 4.35 -0.42 1.61 -0.14 -0.72 -4.98 119.74 116.03 2whx s LYS 380 Ca 0.00 0.89 -0.24 0.00 -1.36 0.00 0.00 55.97 55.26 2whx s LYS 380 Cb 0.00 -3.27 0.02 0.00 -1.68 0.00 0.00 37.83 32.90 2whx s LYS 380 CO 0.00 0.56 0.84 1.03 -0.76 0.00 0.00 175.35 177.02 2whx s ARG 381 N -0.91 3.58 -0.04 1.68 0.52 -1.26 -3.93 118.95 118.58 2whx s ARG 381 Ca 0.32 0.15 0.07 0.00 -0.52 0.00 0.00 55.73 55.75 2whx s ARG 381 Cb -0.20 -3.89 -0.02 0.00 0.52 0.00 0.00 34.95 31.36 2whx s ARG 381 CO 0.21 -1.06 -0.24 0.54 0.02 0.00 0.00 175.30 174.77 2whx s VAL 382 N 3.40 2.17 -0.14 3.52 0.11 -1.26 -0.40 120.40 127.81 2whx s VAL 382 Ca 0.33 -1.05 -0.03 0.00 -2.93 0.00 0.00 61.98 58.31 2whx s VAL 382 Cb -0.12 -1.78 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 2whx s VAL 382 CO 0.22 0.58 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.88 2whx s ILE 383 N -0.44 3.78 -0.15 7.04 1.01 -0.27 -5.01 121.20 127.16 2whx s ILE 383 Ca 0.05 -0.41 -0.06 0.00 0.00 0.00 0.00 60.65 60.23 2whx s ILE 383 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 2whx s ILE 383 CO 0.01 0.51 0.05 -1.10 0.00 0.00 0.00 174.94 174.41 2whx s GLN 384 N 0.20 3.65 -0.05 2.79 -0.21 -1.26 -0.71 119.66 124.07 2whx s GLN 384 Ca -0.03 -0.35 0.06 0.00 0.02 0.00 0.00 55.36 55.06 2whx s GLN 384 Cb -0.14 -3.08 -0.01 0.00 1.00 0.00 0.00 33.01 30.78 2whx s GLN 384 CO 0.03 0.44 -0.23 -0.51 -2.12 0.00 0.00 175.29 172.90 2whx s LEU 385 N -0.11 2.03 0.25 2.90 1.43 -0.24 -4.88 118.68 120.07 2whx s LEU 385 Ca 0.06 -0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 52.60 2whx s LEU 385 Cb -0.12 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 2whx s LEU 385 CO 0.01 0.24 0.43 -0.94 0.23 0.00 0.00 176.35 176.32 2whx s SER 386 N -0.22 0.05 0.16 2.29 1.04 -1.26 -2.33 113.70 113.43 2whx s SER 386 Ca -0.01 -1.06 -0.18 0.00 0.48 0.00 0.00 55.95 55.18 2whx s SER 386 Cb -0.12 0.57 0.07 0.00 0.10 0.00 0.00 66.02 66.64 2whx s SER 386 CO 0.02 -1.12 1.67 0.03 0.98 0.00 0.00 173.24 174.83 2whx h ARG 387 N 2.29 -0.01 0.00 4.02 3.08 -1.98 0.21 114.38 122.00 2whx h ARG 387 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2whx h ARG 387 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2whx h ARG 387 CO 0.39 -0.00 0.00 0.87 -1.07 0.00 0.00 179.97 180.15 2whx h LYS 388 N -0.01 0.00 -0.02 0.04 6.56 -2.03 -3.16 116.57 117.96 2whx h LYS 388 Ca 0.17 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.76 2whx h LYS 388 Cb 0.27 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.93 2whx h LYS 388 CO -0.38 0.00 -0.04 0.25 -2.06 0.00 0.00 179.45 177.22 2whx n THR 389 N -2.91 0.00 -0.21 -0.16 -2.24 -1.03 -4.67 114.28 103.06 2whx n THR 389 Ca 0.04 -0.48 -0.05 0.00 -2.27 0.00 0.00 64.05 61.29 2whx n THR 389 Cb 0.46 1.28 0.05 0.00 -2.10 0.00 0.00 70.33 70.02 2whx n THR 389 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2whx h PHE 390 N 2.60 0.68 -0.89 4.78 3.57 -0.55 0.14 116.94 127.27 2whx h PHE 390 Ca 0.00 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.53 2whx h PHE 390 Cb 0.57 -0.22 -0.04 0.00 2.79 0.00 0.00 35.95 39.05 2whx h PHE 390 CO 0.00 0.39 0.58 0.22 -2.23 0.00 0.00 178.31 177.27 2whx h ASP 391 N 0.72 1.03 0.16 0.41 1.82 -1.83 -0.03 116.42 118.69 2whx h ASP 391 Ca 0.24 -0.03 -0.33 0.00 -0.39 0.00 0.00 57.03 56.52 2whx h ASP 391 Cb 0.02 -0.26 0.00 0.00 0.68 0.00 0.00 39.33 39.77 2whx h ASP 391 CO -0.10 0.75 -1.68 0.71 -1.61 0.00 0.00 179.24 177.31 2whx h THR 392 N 1.21 0.92 0.19 2.25 1.35 -1.84 -3.41 112.91 113.58 2whx h THR 392 Ca 0.33 -2.45 -0.26 0.00 -0.55 0.00 0.00 66.41 63.47 2whx h THR 392 Cb -0.13 2.71 0.03 0.00 -1.73 0.00 0.00 68.15 69.04 2whx h THR 392 CO -0.07 0.82 -1.13 -0.33 -0.25 0.00 0.00 175.52 174.55 2whx h GLU 393 N -0.03 0.44 -1.01 4.72 4.39 -0.83 -3.36 114.58 118.90 2whx h GLU 393 Ca -0.34 -0.72 0.07 0.00 0.34 0.00 0.00 59.36 58.70 2whx h GLU 393 Cb 1.99 0.26 -0.07 0.00 -0.10 0.00 0.00 28.75 30.83 2whx h GLU 393 CO 0.13 1.34 0.65 -0.92 -1.16 0.00 0.00 179.01 179.05 2whx h TYR 394 N -0.08 1.21 -0.72 4.33 3.20 -1.19 -0.98 116.97 122.72 2whx h TYR 394 Ca -0.19 0.03 0.14 0.00 3.14 0.00 0.00 58.73 61.85 2whx h TYR 394 Cb 1.89 -0.40 -0.05 0.00 1.54 0.00 0.00 36.73 39.72 2whx h TYR 394 CO 0.16 0.61 0.48 -1.35 -1.64 0.00 0.00 178.16 176.43 2whx h PRO 395 N 1.17 0.38 0.00 1.82 0.11 -1.77 -2.03 132.00 131.68 2whx h PRO 395 Ca 0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 66.49 2whx h PRO 395 Cb 0.19 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 31.21 2whx h PRO 395 CO -0.18 0.25 -0.16 0.87 -0.21 0.00 0.00 178.00 178.57 2whx h LYS 396 N 0.39 0.00 0.00 1.05 1.57 -1.35 -2.10 116.57 116.13 2whx h LYS 396 Ca 0.35 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 2whx h LYS 396 Cb 0.82 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.13 2whx h LYS 396 CO -0.11 0.16 0.00 0.25 -0.57 0.00 0.00 179.45 179.19 2whx n THR 397 N -3.53 0.83 -0.10 -0.16 -2.24 -0.76 -1.87 114.28 106.45 2whx n THR 397 Ca -0.01 0.21 -0.20 0.00 -2.27 0.00 0.00 64.05 61.78 2whx n THR 397 Cb 0.32 -1.00 -0.07 0.00 -2.10 0.00 0.00 70.33 67.47 2whx n THR 397 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2whx n LYS 398 N -1.36 0.42 -0.54 -0.78 4.76 -0.80 -4.77 118.16 115.09 2whx n LYS 398 Ca 0.05 0.17 0.09 0.00 -2.87 0.00 0.00 58.31 55.75 2whx n LYS 398 Cb 0.11 -1.23 0.32 0.00 -1.84 0.00 0.00 35.03 32.40 2whx n LYS 398 CO 0.00 0.00 0.00 -0.11 -1.37 0.00 0.00 177.40 175.92 2whx n LEU 399 N -3.74 4.45 -4.48 -0.35 7.94 -1.15 -4.89 117.00 114.79 2whx n LEU 399 Ca -0.38 -2.44 -0.23 0.00 -1.11 0.00 0.00 56.01 51.85 2whx n LEU 399 Cb 0.79 -0.53 -0.09 0.00 0.53 0.00 0.00 43.42 44.11 2whx n LEU 399 CO 0.05 0.80 -0.23 0.42 -1.11 0.00 0.00 177.39 177.31 2whx s THR 400 N -1.82 0.85 0.00 1.96 -4.23 -0.78 -5.04 115.64 106.58 2whx s THR 400 Ca 0.47 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 59.04 2whx s THR 400 Cb 0.30 -2.56 -0.03 0.00 1.34 0.00 0.00 72.50 71.56 2whx s THR 400 CO 0.22 0.00 -0.16 -0.62 -0.54 0.00 0.00 174.62 173.52 2whx s ASP 401 N -3.54 3.93 0.19 3.99 -1.08 -1.26 -4.80 116.67 114.10 2whx s ASP 401 Ca 0.30 -0.32 -0.06 0.00 -0.52 0.00 0.00 52.55 51.94 2whx s ASP 401 Cb 0.06 -0.73 -0.02 0.00 -1.46 0.00 0.00 42.92 40.77 2whx s ASP 401 CO 0.15 0.29 0.26 -1.66 0.52 0.00 0.00 175.17 174.72 2whx s TRP 402 N -0.85 0.69 -0.08 -5.34 1.48 -1.26 -5.00 118.94 108.59 2whx s TRP 402 Ca 0.14 -1.01 0.03 0.00 -1.06 0.00 0.00 56.10 54.19 2whx s TRP 402 Cb -0.11 -0.21 -0.07 0.00 -1.16 0.00 0.00 33.47 31.93 2whx s TRP 402 CO 0.04 -0.74 -0.03 -0.25 -4.06 0.00 0.00 176.95 171.90 2whx n ASP 403 N -0.26 3.37 -3.90 -2.66 8.00 0.46 -4.90 116.55 116.66 2whx n ASP 403 Ca -0.03 -0.03 -0.17 0.00 0.71 0.00 0.00 54.79 55.28 2whx n ASP 403 Cb 0.64 0.20 -0.15 0.00 -0.02 0.00 0.00 41.12 41.79 2whx n ASP 403 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2whx s PHE 404 N -2.16 0.49 -0.23 1.24 0.08 -0.84 -1.47 117.98 115.09 2whx s PHE 404 Ca -0.08 -0.09 -0.07 0.00 0.12 0.00 0.00 56.93 56.81 2whx s PHE 404 Cb 0.02 -0.41 -0.03 0.00 -0.57 0.00 0.00 43.02 42.03 2whx s PHE 404 CO 0.22 -0.08 0.07 0.14 -0.10 0.00 0.00 175.22 175.47 2whx s VAL 405 N 0.44 4.50 -0.35 -0.44 -7.23 0.16 -1.12 120.40 116.36 2whx s VAL 405 Ca -0.05 -0.12 -0.09 0.00 -1.81 0.00 0.00 61.98 59.91 2whx s VAL 405 Cb -0.08 -3.07 0.02 0.00 0.56 0.00 0.00 36.38 33.80 2whx s VAL 405 CO -0.00 0.38 0.17 -0.69 -0.31 0.00 0.00 175.10 174.64 2whx s VAL 406 N 1.18 4.38 0.11 1.32 1.01 0.11 -0.01 120.40 128.50 2whx s VAL 406 Ca 0.05 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2whx s VAL 406 Cb -0.14 -3.39 -0.04 0.00 0.00 0.00 0.00 36.38 32.81 2whx s VAL 406 CO 0.03 -0.14 -0.12 0.28 0.00 0.00 0.00 175.10 175.15 2whx s THR 407 N 1.53 1.16 0.87 3.92 -1.32 -0.11 -1.08 115.64 120.62 2whx s THR 407 Ca 0.02 -1.70 -0.10 0.00 -1.21 0.00 0.00 61.69 58.70 2whx s THR 407 Cb -0.19 -1.47 0.19 0.00 -1.51 0.00 0.00 72.50 69.53 2whx s THR 407 CO 0.05 -0.49 1.19 0.35 -2.21 0.00 0.00 174.62 173.51 2whx n THR 408 N 0.52 0.00 0.27 5.08 -2.24 -0.99 -0.12 114.28 116.80 2whx n THR 408 Ca -0.15 -1.18 0.13 0.00 -2.27 0.00 0.00 64.05 60.57 2whx n THR 408 Cb 0.57 -1.29 0.69 0.00 -2.10 0.00 0.00 70.33 68.20 2whx n THR 408 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 2whx h ASP 409 N -1.30 0.00 -0.37 3.42 2.03 -1.92 -2.94 116.42 115.34 2whx h ASP 409 Ca -0.39 0.00 0.11 0.00 -0.73 0.00 0.00 57.03 56.02 2whx h ASP 409 Cb 1.18 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.66 2whx h ASP 409 CO 0.32 0.00 0.38 -0.29 -1.03 0.00 0.00 179.24 178.62 2whx h ILE 410 N 0.00 0.43 0.00 4.15 6.09 -1.94 0.15 117.51 126.39 2whx h ILE 410 Ca 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.49 2whx h ILE 410 Cb 0.57 0.70 0.00 0.00 0.47 0.00 0.00 36.82 38.56 2whx h ILE 410 CO 0.00 0.00 0.00 -1.20 -3.07 0.00 0.00 178.15 173.88 2whx n SER 411 N -3.79 0.00 0.20 2.19 7.64 -1.11 -2.71 113.62 116.04 2whx n SER 411 Ca 0.06 -0.14 0.14 0.00 1.01 0.00 0.00 58.87 59.94 2whx n SER 411 Cb 0.55 -0.25 0.53 0.00 -1.01 0.00 0.00 64.21 64.02 2whx n SER 411 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 2whx h GLU 412 N 0.00 0.00 -3.04 1.43 5.08 -0.95 -3.29 114.58 113.81 2whx h GLU 412 Ca 0.00 0.00 -0.79 0.00 -1.00 0.00 0.00 59.36 57.57 2whx h GLU 412 Cb 0.20 0.00 -0.23 0.00 0.50 0.00 0.00 28.75 29.22 2whx h GLU 412 CO 0.00 0.00 1.29 -1.33 -1.00 0.00 0.00 179.01 177.97 2whx n MET 413 N -2.73 4.28 -1.04 2.33 2.81 -1.10 -4.71 117.12 116.96 2whx n MET 413 Ca 0.02 -4.17 -0.01 0.00 -1.81 0.00 0.00 57.70 51.72 2whx n MET 413 Cb 0.32 -2.65 -0.01 0.00 -0.71 0.00 0.00 33.22 30.18 2whx n MET 413 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2whx n GLY 414 N 1.71 0.48 3.66 3.03 0.00 -1.26 -4.83 105.19 107.99 2whx n GLY 414 Ca 0.34 -0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 2whx n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2whx s ALA 415 N -1.86 3.62 -0.19 4.61 0.00 -1.24 -4.99 121.76 121.71 2whx s ALA 415 Ca 0.00 0.44 -0.13 0.00 0.00 0.00 0.00 51.96 52.27 2whx s ALA 415 Cb 0.00 -3.65 -0.05 0.00 0.00 0.00 0.00 23.12 19.43 2whx s ALA 415 CO 0.00 -1.27 0.25 -0.80 0.00 0.00 0.00 175.76 173.94 2whx s ASN 416 N 2.17 6.33 -0.03 0.00 0.01 -1.26 -4.92 114.94 117.24 2whx s ASN 416 Ca 0.56 0.38 0.04 0.00 -0.71 0.00 0.00 52.86 53.13 2whx s ASN 416 Cb -0.22 -2.15 -0.01 0.00 0.41 0.00 0.00 41.25 39.28 2whx s ASN 416 CO 0.16 0.09 -0.16 -0.36 -1.51 0.00 0.00 177.10 175.33 2whx s PHE 417 N 0.64 1.53 -1.32 2.20 0.08 -1.26 -5.02 117.98 114.81 2whx s PHE 417 Ca 0.13 -0.39 -0.12 0.00 0.12 0.00 0.00 56.93 56.67 2whx s PHE 417 Cb -0.13 -1.02 0.12 0.00 -0.57 0.00 0.00 43.02 41.42 2whx s PHE 417 CO 0.03 -0.11 1.90 -2.13 -0.10 0.00 0.00 175.22 174.80 2whx n ARG 418 N 3.03 3.32 -4.27 0.44 0.63 -1.26 -4.92 116.66 113.63 2whx n ARG 418 Ca -0.17 -3.29 -0.16 0.00 -0.92 0.00 0.00 57.85 53.31 2whx n ARG 418 Cb 0.54 -3.11 -0.10 0.00 0.45 0.00 0.00 32.46 30.24 2whx n ARG 418 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2whx s ALA 419 N 1.76 1.58 -0.47 5.13 0.00 -1.26 -4.85 121.76 123.65 2whx s ALA 419 Ca 0.44 -1.48 0.13 0.00 0.00 0.00 0.00 51.96 51.04 2whx s ALA 419 Cb 0.08 -0.01 -0.15 0.00 0.00 0.00 0.00 23.12 23.04 2whx s ALA 419 CO -0.01 -0.02 0.48 0.41 0.00 0.00 0.00 175.76 176.62 2whx n GLY 420 N -0.07 -0.30 2.84 0.00 0.00 -0.69 -4.80 105.19 102.17 2whx n GLY 420 Ca -0.11 -0.35 -0.13 0.00 0.00 0.00 0.00 46.02 45.43 2whx n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2whx s ARG 421 N -2.37 -0.01 -0.17 1.61 3.52 -0.86 -0.15 118.95 120.53 2whx s ARG 421 Ca 0.03 0.09 -0.05 0.00 -0.13 0.00 0.00 55.73 55.66 2whx s ARG 421 Cb 0.09 -0.09 -0.03 0.00 -1.56 0.00 0.00 34.95 33.36 2whx s ARG 421 CO 0.53 -0.07 -0.01 0.08 -0.81 0.00 0.00 175.30 175.03 2whx s VAL 422 N 0.42 4.13 -0.29 7.11 1.01 -0.31 -0.49 120.40 131.98 2whx s VAL 422 Ca -0.03 -0.27 -0.11 0.00 0.00 0.00 0.00 61.98 61.57 2whx s VAL 422 Cb -0.05 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 33.46 2whx s VAL 422 CO -0.01 0.47 0.17 -0.63 0.00 0.00 0.00 175.10 175.11 2whx s ILE 423 N 0.46 5.05 -0.40 2.22 1.01 0.37 -0.66 121.20 129.25 2whx s ILE 423 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 60.65 60.62 2whx s ILE 423 Cb -0.14 -3.45 0.13 0.00 0.01 0.00 0.00 42.46 39.02 2whx s ILE 423 CO 0.02 0.20 0.22 -0.62 0.00 0.00 0.00 174.94 174.76 2whx s ASP 424 N 1.71 3.44 0.00 3.58 2.15 0.19 -1.53 116.67 126.21 2whx s ASP 424 Ca 0.06 -2.38 0.09 0.00 0.43 0.00 0.00 52.55 50.75 2whx s ASP 424 Cb -0.16 -0.79 0.53 0.00 -0.30 0.00 0.00 42.92 42.20 2whx s ASP 424 CO 0.09 -0.29 0.96 -0.81 -0.17 0.00 0.00 175.17 174.94 2whx n PRO 425 N 3.84 0.33 -3.66 4.34 -0.04 -1.26 -2.34 135.00 136.20 2whx n PRO 425 Ca 0.09 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.32 2whx n PRO 425 Cb 0.36 -1.42 0.04 0.00 -0.04 0.00 0.00 33.50 32.43 2whx n PRO 425 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2whx n ARG 426 N -0.92 -3.97 -4.17 0.54 1.74 -1.26 -4.57 116.66 104.05 2whx n ARG 426 Ca 0.07 0.61 -0.16 0.00 -0.77 0.00 0.00 57.85 57.60 2whx n ARG 426 Cb 0.03 -5.04 -0.14 0.00 -1.02 0.00 0.00 32.46 26.30 2whx n ARG 426 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2whx s ARG 427 N -5.84 0.52 0.15 5.56 6.06 -1.26 -2.45 118.95 121.68 2whx s ARG 427 Ca 0.12 -0.39 -0.15 0.00 -2.50 0.00 0.00 55.73 52.81 2whx s ARG 427 Cb -0.03 -0.45 0.03 0.00 0.06 0.00 0.00 34.95 34.55 2whx s ARG 427 CO 0.82 0.11 0.41 0.00 -2.50 0.00 0.00 175.30 174.14 2whx s LEU 429 N -2.84 4.32 -0.18 0.00 1.43 -1.16 0.09 118.68 120.34 2whx s LEU 429 Ca 0.06 1.05 0.01 0.00 -1.03 0.00 0.00 54.13 54.22 2whx s LEU 429 Cb 0.01 -3.30 0.03 0.00 0.03 0.00 0.00 46.19 42.97 2whx s LEU 429 CO -0.08 0.09 -0.13 -0.75 0.23 0.00 0.00 176.35 175.70 2whx s LYS 430 N -2.04 2.28 0.19 1.70 2.20 0.03 -4.93 119.74 119.18 2whx s LYS 430 Ca 0.38 -0.76 -0.30 0.00 -0.36 0.00 0.00 55.97 54.94 2whx s LYS 430 Cb -0.15 -2.34 -0.09 0.00 -1.51 0.00 0.00 37.83 33.74 2whx s LYS 430 CO 0.19 -0.33 1.38 -1.25 -0.36 0.00 0.00 175.35 174.98 2whx s PRO 431 N 1.40 4.33 -0.03 4.03 0.04 -1.26 0.00 135.00 143.51 2whx s PRO 431 Ca 0.02 2.15 0.01 0.00 0.04 0.00 0.00 61.00 63.22 2whx s PRO 431 Cb -0.15 -3.18 0.01 0.00 0.04 0.00 0.00 34.50 31.23 2whx s PRO 431 CO -0.10 -0.36 -0.05 0.08 0.04 0.00 0.00 177.00 176.61 2whx s VAL 432 N 0.35 0.51 -0.40 -0.36 1.01 -0.20 -0.54 120.40 120.77 2whx s VAL 432 Ca 0.60 -0.17 -0.26 0.00 0.00 0.00 0.00 61.98 62.16 2whx s VAL 432 Cb -0.39 -0.50 0.02 0.00 0.00 0.00 0.00 36.38 35.51 2whx s VAL 432 CO 0.37 0.19 0.92 -0.63 0.00 0.00 0.00 175.10 175.96 2whx s ILE 433 N 0.55 4.55 0.02 2.22 1.01 -1.26 -1.82 121.20 126.47 2whx s ILE 433 Ca -0.07 1.04 -0.23 0.00 0.00 0.00 0.00 60.65 61.40 2whx s ILE 433 Cb -0.11 -4.36 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2whx s ILE 433 CO 0.00 -0.63 0.68 -0.76 0.00 0.00 0.00 174.94 174.23 2whx s LEU 434 N 3.56 4.44 0.00 2.97 1.02 -0.09 -4.95 118.68 125.63 2whx s LEU 434 Ca 0.38 1.31 0.05 0.00 0.02 0.00 0.00 54.13 55.89 2whx s LEU 434 Cb -0.11 -3.08 0.02 0.00 0.02 0.00 0.00 46.19 43.04 2whx s LEU 434 CO 0.21 0.07 0.54 0.35 0.02 0.00 0.00 176.35 177.54 2whx n THR 435 N 2.71 0.00 -1.91 5.49 -2.24 -1.26 -2.83 114.28 114.24 2whx n THR 435 Ca -0.05 -0.47 -0.23 0.00 -2.27 0.00 0.00 64.05 61.03 2whx n THR 435 Cb 0.51 1.08 -0.06 0.00 -2.10 0.00 0.00 70.33 69.76 2whx n THR 435 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2whx s ASP 436 N -0.70 4.77 0.18 3.42 -1.08 -1.26 -4.67 116.67 117.33 2whx s ASP 436 Ca 0.05 -0.47 0.00 0.00 -0.52 0.00 0.00 52.55 51.61 2whx s ASP 436 Cb 0.04 -2.56 0.00 0.00 -1.46 0.00 0.00 42.92 38.94 2whx s ASP 436 CO 0.10 -3.08 0.00 0.61 0.52 0.00 0.00 175.17 173.31 2whx n GLY 437 N 6.84 0.58 3.76 2.66 0.00 -1.26 -4.89 105.19 112.87 2whx n GLY 437 Ca 0.42 -1.11 -0.41 0.00 0.00 0.00 0.00 46.02 44.92 2whx n GLY 437 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2whx s PRO 438 N 0.00 4.39 -0.07 1.61 0.04 -1.26 -4.95 135.00 134.76 2whx s PRO 438 Ca 0.00 2.13 -0.30 0.00 0.04 0.00 0.00 61.00 62.87 2whx s PRO 438 Cb 0.00 -3.13 -0.03 0.00 0.04 0.00 0.00 34.50 31.38 2whx s PRO 438 CO 0.00 -0.19 1.21 -2.00 0.04 0.00 0.00 177.00 176.07 2whx s GLU 439 N -1.06 4.33 0.13 4.56 2.12 -1.26 -4.77 118.70 122.76 2whx s GLU 439 Ca 0.52 1.68 -0.04 0.00 0.36 0.00 0.00 54.97 57.48 2whx s GLU 439 Cb -0.38 -3.59 -0.03 0.00 0.26 0.00 0.00 34.13 30.40 2whx s GLU 439 CO 0.46 -0.49 0.13 -0.98 -0.54 0.00 0.00 175.26 173.84 2whx s ARG 440 N 2.40 0.95 -0.19 4.30 1.70 -1.13 -4.60 118.95 122.37 2whx s ARG 440 Ca 0.56 -1.27 -0.03 0.00 -0.47 0.00 0.00 55.73 54.52 2whx s ARG 440 Cb -0.24 0.29 -0.01 0.00 -0.57 0.00 0.00 34.95 34.41 2whx s ARG 440 CO 0.21 -0.29 -0.05 0.08 -1.08 0.00 0.00 175.30 174.16 2whx s VAL 441 N -3.98 3.46 0.21 4.99 1.01 -0.41 -0.91 120.40 124.77 2whx s VAL 441 Ca 0.17 -0.48 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2whx s VAL 441 Cb 0.06 -2.54 -0.04 0.00 0.00 0.00 0.00 36.38 33.86 2whx s VAL 441 CO -0.02 0.45 -0.02 0.27 0.00 0.00 0.00 175.10 175.78 2whx s ILE 442 N 1.05 3.50 -0.49 2.22 -4.36 -0.76 -1.14 121.20 121.21 2whx s ILE 442 Ca 0.01 -1.66 -0.19 0.00 -0.26 0.00 0.00 60.65 58.54 2whx s ILE 442 Cb -0.15 -2.79 0.05 0.00 1.25 0.00 0.00 42.46 40.82 2whx s ILE 442 CO -0.00 -0.21 0.62 -0.76 0.24 0.00 0.00 174.94 174.83 2whx s LEU 443 N -3.19 4.84 0.26 0.37 2.01 -1.26 -1.04 118.68 120.68 2whx s LEU 443 Ca 0.28 -0.77 -0.15 0.00 0.01 0.00 0.00 54.13 53.50 2whx s LEU 443 Cb -0.08 -2.50 -0.08 0.00 0.01 0.00 0.00 46.19 43.53 2whx s LEU 443 CO 0.18 -0.85 0.68 0.00 1.01 0.00 0.00 176.35 177.37 2whx s ALA 444 N 2.66 3.41 0.00 4.21 0.00 0.10 -4.82 121.76 127.33 2whx s ALA 444 Ca 0.17 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2whx s ALA 444 Cb -0.18 -2.71 0.00 0.00 0.00 0.00 0.00 23.12 20.24 2whx s ALA 444 CO 0.14 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.68 2whx n GLY 445 N 0.12 0.16 3.76 0.00 0.00 -1.26 -0.79 105.19 107.19 2whx n GLY 445 Ca 0.00 -1.99 -0.40 0.00 0.00 0.00 0.00 46.02 43.64 2whx n GLY 445 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2whx s PRO 446 N 0.00 3.53 0.31 1.61 0.02 -1.26 -5.04 135.00 134.17 2whx s PRO 446 Ca 0.00 2.40 0.05 0.00 0.02 0.00 0.00 61.00 63.47 2whx s PRO 446 Cb 0.00 -2.55 -0.06 0.00 0.02 0.00 0.00 34.50 31.91 2whx s PRO 446 CO 0.00 -0.94 0.01 0.96 -0.33 0.00 0.00 177.00 176.70 2whx s ILE 447 N -1.22 1.43 0.40 2.83 -5.25 0.11 -4.85 121.20 114.65 2whx s ILE 447 Ca 0.64 -2.05 -0.26 0.00 -0.99 0.00 0.00 60.65 57.99 2whx s ILE 447 Cb -0.43 -2.67 -0.09 0.00 2.95 0.00 0.00 42.46 42.22 2whx s ILE 447 CO 0.55 -0.13 1.34 -2.84 -1.79 0.00 0.00 174.94 172.07 2whx s PRO 448 N -3.81 4.00 0.74 0.37 0.02 -1.26 -0.38 135.00 134.67 2whx s PRO 448 Ca 0.33 2.24 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 2whx s PRO 448 Cb 0.07 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.82 2whx s PRO 448 CO 0.14 -0.50 1.08 0.14 -0.33 0.00 0.00 177.00 177.53 2whx s VAL 449 N -1.22 3.65 0.83 3.83 -7.23 -1.02 -4.42 120.40 114.81 2whx s VAL 449 Ca 0.56 0.54 -0.11 0.00 -1.81 0.00 0.00 61.98 61.15 2whx s VAL 449 Cb -0.40 -3.14 0.09 0.00 0.56 0.00 0.00 36.38 33.50 2whx s VAL 449 CO 0.52 -0.70 1.15 0.42 -0.31 0.00 0.00 175.10 176.18 2whx s THR 450 N -2.96 2.45 0.33 5.32 -4.23 -1.25 -0.57 115.64 114.73 2whx s THR 450 Ca 0.60 0.17 0.04 0.00 -1.18 0.00 0.00 61.69 61.31 2whx s THR 450 Cb -0.16 -2.44 0.29 0.00 1.34 0.00 0.00 72.50 71.53 2whx s THR 450 CO 0.55 -0.17 1.92 -0.65 -0.54 0.00 0.00 174.62 175.73 2whx h PRO 451 N -1.26 0.87 -0.51 3.99 0.11 -1.81 -2.15 132.00 131.24 2whx h PRO 451 Ca -0.44 -0.05 0.03 0.00 0.11 0.00 0.00 66.00 65.65 2whx h PRO 451 Cb 1.27 -0.20 -0.04 0.00 0.11 0.00 0.00 31.00 32.14 2whx h PRO 451 CO 0.46 0.57 0.28 0.00 -0.21 0.00 0.00 178.00 179.11 2whx h ALA 452 N 1.55 0.65 -0.04 -0.75 0.00 -1.87 -1.76 119.26 117.04 2whx h ALA 452 Ca 0.38 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.29 2whx h ALA 452 Cb 0.30 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.97 2whx h ALA 452 CO -0.14 -0.04 0.03 0.77 0.00 0.00 0.00 179.25 179.87 2whx h SER 453 N 0.56 0.05 -0.76 0.00 0.02 -1.83 -1.87 113.55 109.72 2whx h SER 453 Ca 0.21 -0.03 0.10 0.00 -0.84 0.00 0.00 61.79 61.23 2whx h SER 453 Cb 0.07 -0.01 -0.07 0.00 0.14 0.00 0.00 62.40 62.52 2whx h SER 453 CO -0.12 0.07 0.40 0.00 -1.14 0.00 0.00 176.83 176.04 2whx h ALA 454 N 0.98 1.07 -0.69 3.77 0.00 -1.10 0.43 119.26 123.72 2whx h ALA 454 Ca 0.01 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2whx h ALA 454 Cb 0.03 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2whx h ALA 454 CO -0.00 -0.01 0.25 0.00 0.00 0.00 0.00 179.25 179.48 2whx h ALA 455 N 1.45 0.90 -0.02 0.00 0.00 -1.16 -0.61 119.26 119.83 2whx h ALA 455 Ca 0.38 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 2whx h ALA 455 Cb 0.40 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2whx h ALA 455 CO -0.27 0.55 -0.67 1.96 0.00 0.00 0.00 179.25 180.81 2whx h GLN 456 N 0.99 0.08 0.27 0.00 1.08 -0.46 0.20 115.11 117.27 2whx h GLN 456 Ca 0.23 -0.06 -0.01 0.00 -1.45 0.00 0.00 58.65 57.35 2whx h GLN 456 Cb 0.26 0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.70 2whx h GLN 456 CO -0.01 0.72 -0.13 0.00 -0.95 0.00 0.00 178.83 178.45 2whx h ARG 457 N 0.05 -0.35 -0.95 1.46 3.08 -0.78 -3.01 114.38 113.87 2whx h ARG 457 Ca -0.01 0.02 0.23 0.00 0.07 0.00 0.00 59.98 60.30 2whx h ARG 457 Cb 1.19 0.08 -0.12 0.00 0.08 0.00 0.00 29.97 31.20 2whx h ARG 457 CO 0.09 -0.00 0.51 -0.09 -1.07 0.00 0.00 179.97 179.41 2whx h ARG 458 N -0.88 0.49 0.00 0.04 2.43 -1.14 -2.54 114.38 112.78 2whx h ARG 458 Ca -0.04 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2whx h ARG 458 Cb 0.51 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.95 2whx h ARG 458 CO 0.06 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.26 2whx n GLY 459 N -1.32 -0.69 0.29 2.80 0.00 0.70 -2.38 105.19 104.59 2whx n GLY 459 Ca 0.25 -0.03 0.05 0.00 0.00 0.00 0.00 46.02 46.29 2whx n GLY 459 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2whx h ARG 460 N 0.00 0.34 -5.64 1.61 2.47 -1.43 -3.45 114.38 108.28 2whx h ARG 460 Ca 0.00 -0.02 -0.62 0.00 -1.26 0.00 0.00 59.98 58.08 2whx h ARG 460 Cb 0.11 -0.08 -0.11 0.00 -1.65 0.00 0.00 29.97 28.25 2whx h ARG 460 CO 0.00 0.23 -0.51 0.96 0.56 0.00 0.00 179.97 181.20 2whx s ILE 461 N -5.34 1.84 -0.13 2.04 -5.25 -1.00 -4.61 121.20 108.75 2whx s ILE 461 Ca -0.07 -1.85 0.00 0.00 -0.99 0.00 0.00 60.65 57.74 2whx s ILE 461 Cb 0.17 -2.69 0.00 0.00 2.95 0.00 0.00 42.46 42.90 2whx s ILE 461 CO 0.71 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.47 2whx n GLY 462 N -1.22 0.48 0.05 6.27 0.00 -1.26 -4.91 105.19 104.60 2whx n GLY 462 Ca -0.07 -0.22 0.12 0.00 0.00 0.00 0.00 46.02 45.85 2whx n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2whx n ARG 463 N -2.28 0.23 -3.63 1.61 1.74 -1.26 -0.56 116.66 112.50 2whx n ARG 463 Ca -0.01 0.06 -0.40 0.00 -0.77 0.00 0.00 57.85 56.73 2whx n ARG 463 Cb 0.13 -1.63 -0.11 0.00 -1.02 0.00 0.00 32.46 29.82 2whx n ARG 463 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2whx s ASN 464 N -3.92 5.64 0.53 0.55 3.04 -1.26 -4.78 114.94 114.75 2whx s ASN 464 Ca 0.07 -1.06 0.22 0.00 0.04 0.00 0.00 52.86 52.13 2whx s ASN 464 Cb 0.14 -1.99 1.39 0.00 -1.54 0.00 0.00 41.25 39.26 2whx s ASN 464 CO 0.72 -0.38 2.07 -0.65 -3.04 0.00 0.00 177.10 175.82 2whx h PRO 465 N 8.39 0.00 0.00 0.43 0.11 -1.86 -0.72 132.00 138.34 2whx h PRO 465 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 2whx h PRO 465 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2whx h PRO 465 CO 0.66 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.45 2whx n ALA 466 N -2.56 2.25 -3.93 -0.75 0.00 -1.26 -4.64 120.51 109.62 2whx n ALA 466 Ca 0.04 -0.10 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 2whx n ALA 466 Cb 0.37 -1.43 -0.15 0.00 0.00 0.00 0.00 19.45 18.23 2whx n ALA 466 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2whx s GLN 467 N -2.91 1.42 0.00 0.00 0.74 -0.28 -5.01 119.66 113.62 2whx s GLN 467 Ca 0.16 -1.31 0.20 0.00 0.05 0.00 0.00 55.36 54.46 2whx s GLN 467 Cb 0.18 -2.67 -0.03 0.00 1.10 0.00 0.00 33.01 31.59 2whx s GLN 467 CO 0.47 -0.79 0.98 0.39 -0.55 0.00 0.00 175.29 175.79 2whx n GLU 468 N 4.56 1.34 -1.63 1.67 1.02 -1.26 -4.45 120.64 121.89 2whx n GLU 468 Ca -0.05 -0.84 -0.20 0.00 -0.02 0.00 0.00 57.16 56.05 2whx n GLU 468 Cb 0.43 -1.40 0.07 0.00 -0.02 0.00 0.00 31.44 30.52 2whx n GLU 468 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2whx n ASP 469 N -0.19 4.72 -4.74 1.62 5.75 -1.26 -4.36 116.55 118.09 2whx n ASP 469 Ca 0.08 -3.78 -0.36 0.00 -0.01 0.00 0.00 54.79 50.72 2whx n ASP 469 Cb 0.41 -0.49 0.06 0.00 -1.03 0.00 0.00 41.12 40.07 2whx n ASP 469 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2whx s ASP 470 N -3.18 4.67 0.01 -1.12 -0.00 -1.26 -4.88 116.67 110.91 2whx s ASP 470 Ca 0.51 2.44 0.08 0.00 -0.00 0.00 0.00 52.55 55.58 2whx s ASP 470 Cb 0.42 -2.60 -0.02 0.00 -0.00 0.00 0.00 42.92 40.72 2whx s ASP 470 CO 0.02 -1.95 -0.24 -1.10 -0.00 0.00 0.00 175.17 171.90 2whx s GLN 471 N -3.56 1.79 -0.33 8.23 -0.21 0.79 -1.59 119.66 124.78 2whx s GLN 471 Ca 0.78 -0.92 0.02 0.00 0.02 0.00 0.00 55.36 55.25 2whx s GLN 471 Cb -0.32 -1.81 0.09 0.00 1.00 0.00 0.00 33.01 31.96 2whx s GLN 471 CO 0.39 0.49 0.04 -0.47 -2.12 0.00 0.00 175.29 173.62 2whx s TYR 472 N -0.66 3.56 -0.26 0.91 5.04 0.91 -1.16 117.35 125.69 2whx s TYR 472 Ca 0.09 -2.59 -0.13 0.00 -2.44 0.00 0.00 57.07 52.01 2whx s TYR 472 Cb -0.09 -2.67 -0.04 0.00 0.35 0.00 0.00 41.96 39.51 2whx s TYR 472 CO 0.00 -0.92 0.26 0.08 -1.34 0.00 0.00 175.55 173.64 2whx s VAL 473 N 1.04 5.27 0.11 3.14 1.01 0.17 0.23 120.40 131.37 2whx s VAL 473 Ca 0.04 0.36 -0.02 0.00 0.00 0.00 0.00 61.98 62.37 2whx s VAL 473 Cb -0.20 -3.60 -0.04 0.00 0.00 0.00 0.00 36.38 32.54 2whx s VAL 473 CO -0.06 0.25 0.06 0.72 0.00 0.00 0.00 175.10 176.07 2whx s PHE 474 N 1.60 0.73 -0.02 5.22 -0.71 0.36 0.53 117.98 125.69 2whx s PHE 474 Ca 0.11 -1.14 -0.02 0.00 -1.04 0.00 0.00 56.93 54.84 2whx s PHE 474 Cb -0.15 -0.42 0.01 0.00 -1.21 0.00 0.00 43.02 41.25 2whx s PHE 474 CO 0.09 -0.50 0.06 0.45 -1.34 0.00 0.00 175.22 173.97 2whx s SER 475 N -3.01 -0.04 0.00 1.98 0.15 -0.99 -1.88 113.70 109.91 2whx s SER 475 Ca 0.19 0.11 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2whx s SER 475 Cb 0.07 0.09 0.00 0.00 -1.71 0.00 0.00 66.02 64.47 2whx s SER 475 CO -0.01 -0.05 0.00 0.61 1.20 0.00 0.00 173.24 174.99 2whx n GLY 476 N 3.32 -1.74 3.84 9.45 0.00 -1.26 -4.12 105.19 114.68 2whx n GLY 476 Ca -0.16 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 43.98 2whx n GLY 476 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2whx s ASP 477 N -3.86 6.85 0.85 1.61 -0.00 -1.26 -4.99 116.67 115.88 2whx s ASP 477 Ca 0.00 1.16 -0.12 0.00 -0.00 0.00 0.00 52.55 53.59 2whx s ASP 477 Cb 0.00 -2.32 0.10 0.00 -0.00 0.00 0.00 42.92 40.70 2whx s ASP 477 CO 0.00 0.03 1.13 -2.16 -0.00 0.00 0.00 175.17 174.17 2whx s PRO 478 N -2.18 1.62 -0.11 8.23 0.04 -1.26 -4.76 135.00 136.58 2whx s PRO 478 Ca 0.42 0.38 -0.00 0.00 0.04 0.00 0.00 61.00 61.84 2whx s PRO 478 Cb -0.14 -1.89 0.02 0.00 0.04 0.00 0.00 34.50 32.53 2whx s PRO 478 CO 0.20 -1.89 -0.07 -1.17 0.04 0.00 0.00 177.00 174.11 2whx s LEU 479 N -5.86 1.17 0.01 -3.56 2.96 0.26 -4.87 118.68 108.79 2whx s LEU 479 Ca 0.62 -0.29 -0.23 0.00 -0.22 0.00 0.00 54.13 54.02 2whx s LEU 479 Cb -0.14 -0.81 -0.13 0.00 0.50 0.00 0.00 46.19 45.61 2whx s LEU 479 CO 0.53 -0.11 1.08 0.11 -1.32 0.00 0.00 176.35 176.64 2whx h LYS 480 N 8.10 -0.80 -6.05 1.98 1.57 -1.94 -3.31 116.57 116.13 2whx h LYS 480 Ca -0.29 0.05 -0.60 0.00 -1.87 0.00 0.00 60.65 57.95 2whx h LYS 480 Cb 1.13 0.18 0.00 0.00 0.08 0.00 0.00 32.23 33.63 2whx h LYS 480 CO 0.40 -0.53 1.43 -1.71 -0.57 0.00 0.00 179.45 178.47 2whx n ASN 481 N -4.84 3.24 -2.65 0.86 5.15 -1.26 -4.86 115.26 110.90 2whx n ASN 481 Ca -0.10 0.37 -0.05 0.00 -0.60 0.00 0.00 54.58 54.19 2whx n ASN 481 Cb 0.33 -1.50 0.04 0.00 -0.53 0.00 0.00 39.78 38.12 2whx n ASN 481 CO 0.00 0.00 0.00 -0.90 1.40 0.00 0.00 177.26 177.76 2whx n ASP 482 N 10.60 2.33 0.23 1.20 3.85 -1.26 -4.91 116.55 128.59 2whx n ASP 482 Ca 0.30 -2.42 0.07 0.00 -0.71 0.00 0.00 54.79 52.03 2whx n ASP 482 Cb 0.40 -0.45 0.54 0.00 -1.35 0.00 0.00 41.12 40.27 2whx n ASP 482 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 2whx h GLU 483 N 2.51 0.00 -0.13 0.11 4.39 -1.89 -2.47 114.58 117.11 2whx h GLU 483 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 2whx h GLU 483 Cb 1.33 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.98 2whx h GLU 483 CO 0.31 0.19 0.00 -0.40 -1.16 0.00 0.00 179.01 177.95 2whx n ASP 484 N -4.14 0.85 -4.70 1.42 3.85 -1.26 -4.62 116.55 107.96 2whx n ASP 484 Ca -0.02 -1.81 -0.42 0.00 -0.71 0.00 0.00 54.79 51.83 2whx n ASP 484 Cb 0.26 -0.09 -0.03 0.00 -1.35 0.00 0.00 41.12 39.92 2whx n ASP 484 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 2whx s HIS 485 N -1.83 3.17 0.58 2.11 2.46 -0.93 -4.43 115.29 116.43 2whx s HIS 485 Ca 0.19 1.08 0.28 0.00 0.47 0.00 0.00 55.06 57.08 2whx s HIS 485 Cb 0.10 -3.54 1.76 0.00 -0.13 0.00 0.00 32.58 30.77 2whx s HIS 485 CO 0.15 -1.82 2.24 0.00 -2.47 0.00 0.00 174.74 172.83 2whx h ALA 486 N 7.26 1.59 -0.05 1.58 0.00 -1.16 -3.05 119.26 125.43 2whx h ALA 486 Ca -0.39 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 2whx h ALA 486 Cb 1.19 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2whx h ALA 486 CO 0.86 -0.03 -0.11 0.45 0.00 0.00 0.00 179.25 180.43 2whx h HIS 487 N 0.00 0.07 -0.14 0.00 3.86 -1.90 -0.82 115.15 116.22 2whx h HIS 487 Ca 0.01 -0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.12 2whx h HIS 487 Cb 0.04 -0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.49 2whx h HIS 487 CO 0.00 0.18 -0.29 -1.49 0.86 0.00 0.00 177.93 177.19 2whx h TRP 488 N 0.07 0.56 -0.12 2.45 4.06 -1.85 0.57 115.95 121.68 2whx h TRP 488 Ca 0.02 -0.21 -0.17 0.00 2.06 0.00 0.00 58.89 60.59 2whx h TRP 488 Cb 0.24 -0.10 -0.01 0.00 -1.00 0.00 0.00 29.16 28.30 2whx h TRP 488 CO 0.00 0.91 -0.64 1.79 -3.56 0.00 0.00 178.44 176.94 2whx h THR 489 N 0.04 1.35 -0.95 1.49 1.35 -1.69 -2.31 112.91 112.19 2whx h THR 489 Ca 0.00 -1.97 0.01 0.00 -0.55 0.00 0.00 66.41 63.90 2whx h THR 489 Cb 0.89 1.95 -0.05 0.00 -1.73 0.00 0.00 68.15 69.22 2whx h THR 489 CO 0.06 0.60 0.62 -0.33 -0.25 0.00 0.00 175.52 176.22 2whx h GLU 490 N 0.34 1.26 -0.90 4.72 5.08 -1.19 -1.17 114.58 122.72 2whx h GLU 490 Ca -0.01 -0.08 0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2whx h GLU 490 Cb 1.20 -0.28 -0.07 0.00 0.50 0.00 0.00 28.75 30.11 2whx h GLU 490 CO 0.11 0.84 0.58 0.00 -1.00 0.00 0.00 179.01 179.55 2whx h ALA 491 N 1.34 1.61 0.00 3.43 0.00 -0.56 -1.66 119.26 123.42 2whx h ALA 491 Ca 0.35 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 55.14 2whx h ALA 491 Cb -0.13 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2whx h ALA 491 CO -0.07 0.21 -0.53 0.87 0.00 0.00 0.00 179.25 179.73 2whx h LYS 492 N 0.92 0.00 -0.73 0.00 1.57 -0.78 -0.93 116.57 116.62 2whx h LYS 492 Ca 0.42 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.14 2whx h LYS 492 Cb 0.38 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.66 2whx h LYS 492 CO -0.18 0.53 0.22 0.52 -0.57 0.00 0.00 179.45 179.97 2whx h MET 493 N 0.00 1.14 0.16 3.15 2.86 -0.35 0.12 114.93 122.01 2whx h MET 493 Ca -0.01 -0.25 -0.01 0.00 -2.06 0.00 0.00 59.70 57.38 2whx h MET 493 Cb 1.10 -0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.60 2whx h MET 493 CO 0.07 0.97 -0.08 -0.07 1.06 0.00 0.00 176.91 178.86 2whx h LEU 494 N 1.09 -0.18 -0.29 1.22 4.07 -1.13 -3.26 115.31 116.82 2whx h LEU 494 Ca 0.24 -0.28 0.05 0.00 0.08 0.00 0.00 57.88 57.97 2whx h LEU 494 Cb 0.31 0.05 -0.05 0.00 1.08 0.00 0.00 40.66 42.05 2whx h LEU 494 CO -0.01 0.21 -0.04 -0.07 -1.08 0.00 0.00 178.44 177.45 2whx h LEU 495 N -0.61 -0.20 -1.57 1.67 4.07 -1.11 -1.74 115.31 115.83 2whx h LEU 495 Ca -0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2whx h LEU 495 Cb 0.46 0.15 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2whx h LEU 495 CO 0.04 -0.06 0.00 0.44 -1.08 0.00 0.00 178.44 177.77 2whx h ASP 496 N 0.04 0.00 -0.26 -0.43 3.45 -0.86 -2.24 116.42 116.13 2whx h ASP 496 Ca 0.14 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.60 2whx h ASP 496 Cb 0.20 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.97 2whx h ASP 496 CO -0.27 0.00 0.00 0.59 -1.57 0.00 0.00 179.24 177.99 2whx n ASN 497 N -2.33 2.64 -4.64 6.45 3.02 -0.67 -4.24 115.26 115.50 2whx n ASN 497 Ca -0.02 -1.88 -0.38 0.00 -0.03 0.00 0.00 54.58 52.27 2whx n ASN 497 Cb 0.04 -0.17 -0.08 0.00 -0.61 0.00 0.00 39.78 38.96 2whx n ASN 497 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2whx s ILE 498 N -0.97 5.20 -0.10 2.41 1.01 -0.84 -4.82 121.20 123.09 2whx s ILE 498 Ca 0.19 0.58 -0.07 0.00 0.00 0.00 0.00 60.65 61.36 2whx s ILE 498 Cb 0.10 -3.69 -0.04 0.00 0.01 0.00 0.00 42.46 38.84 2whx s ILE 498 CO 0.14 0.21 0.16 -0.31 0.00 0.00 0.00 174.94 175.15 2whx s TYR 499 N 1.67 3.60 0.11 3.97 1.51 -1.26 -4.52 117.35 122.43 2whx s TYR 499 Ca 0.16 0.54 0.07 0.00 -1.01 0.00 0.00 57.07 56.83 2whx s TYR 499 Cb -0.15 -1.95 -0.04 0.00 -0.11 0.00 0.00 41.96 39.71 2whx s TYR 499 CO 0.09 0.72 -0.11 0.95 -1.11 0.00 0.00 175.55 176.09 2whx s THR 500 N -1.07 3.29 0.52 -0.71 -4.23 -1.26 -5.02 115.64 107.16 2whx s THR 500 Ca 0.17 -1.32 0.24 0.00 -1.18 0.00 0.00 61.69 59.61 2whx s THR 500 Cb -0.12 -2.54 0.30 0.00 1.34 0.00 0.00 72.50 71.48 2whx s THR 500 CO 0.07 0.10 2.16 -0.65 -0.54 0.00 0.00 174.62 175.76 2whx h PRO 501 N 3.59 0.00 0.00 3.99 0.11 -1.99 -1.87 132.00 135.83 2whx h PRO 501 Ca -0.49 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2whx h PRO 501 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2whx h PRO 501 CO 0.51 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.74 2whx n GLU 502 N -4.01 0.04 -0.89 1.05 4.71 -1.26 -4.88 120.64 115.40 2whx n GLU 502 Ca -0.03 0.12 0.00 0.00 -0.01 0.00 0.00 57.16 57.25 2whx n GLU 502 Cb 0.14 -1.50 0.00 0.00 -1.01 0.00 0.00 31.44 29.07 2whx n GLU 502 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2whx n GLY 503 N 0.70 0.79 3.69 0.62 0.00 -0.70 -5.02 105.19 105.27 2whx n GLY 503 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 2whx n GLY 503 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2whx s ILE 504 N -3.08 4.91 -0.22 -0.61 1.01 -1.26 -4.94 121.20 117.01 2whx s ILE 504 Ca 0.00 1.73 -0.29 0.00 0.00 0.00 0.00 60.65 62.09 2whx s ILE 504 Cb 0.00 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.28 2whx s ILE 504 CO 0.00 0.11 1.36 -0.63 0.00 0.00 0.00 174.94 175.78 2whx s ILE 505 N 1.53 4.09 0.48 2.92 1.01 -1.26 -4.21 121.20 125.75 2whx s ILE 505 Ca 0.42 1.27 -0.24 0.00 0.00 0.00 0.00 60.65 62.10 2whx s ILE 505 Cb -0.18 -3.98 -0.07 0.00 0.01 0.00 0.00 42.46 38.23 2whx s ILE 505 CO 0.18 -0.29 1.43 -2.16 0.00 0.00 0.00 174.94 174.09 2whx s PRO 506 N 3.99 3.53 0.24 2.79 0.04 -1.26 -5.02 135.00 139.30 2whx s PRO 506 Ca 0.59 2.41 0.04 0.00 0.04 0.00 0.00 61.00 64.08 2whx s PRO 506 Cb -0.21 -2.56 -0.05 0.00 0.04 0.00 0.00 34.50 31.72 2whx s PRO 506 CO 0.21 -0.94 -0.00 0.95 0.04 0.00 0.00 177.00 177.26 2whx s THR 507 N -1.21 1.08 0.36 1.26 -4.23 -1.26 -4.58 115.64 107.05 2whx s THR 507 Ca 0.64 -2.04 -0.26 0.00 -1.18 0.00 0.00 61.69 58.85 2whx s THR 507 Cb -0.44 -2.38 -0.12 0.00 1.34 0.00 0.00 72.50 70.90 2whx s THR 507 CO 0.55 -0.30 1.03 0.18 -0.54 0.00 0.00 174.62 175.54 2whx n LEU 508 N -0.44 2.30 -4.63 4.79 4.32 -1.26 -4.25 117.00 117.83 2whx n LEU 508 Ca -0.05 1.11 -0.45 0.00 -0.02 0.00 0.00 56.01 56.60 2whx n LEU 508 Cb 0.64 -1.34 -0.02 0.00 -1.62 0.00 0.00 43.42 41.08 2whx n LEU 508 CO 0.37 -1.38 0.75 0.33 -1.22 0.00 0.00 177.39 176.24 2whx n PHE 509 N -0.12 1.66 -0.20 -1.77 7.35 -1.26 -4.72 117.46 118.40 2whx n PHE 509 Ca 0.09 0.61 -0.05 0.00 -0.76 0.00 0.00 57.45 57.34 2whx n PHE 509 Cb 0.36 -2.33 -0.05 0.00 0.35 0.00 0.00 39.48 37.81 2whx n PHE 509 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2whx n GLY 510 N 1.46 -2.30 0.09 7.13 0.00 -1.26 -0.34 105.19 109.97 2whx n GLY 510 Ca 0.10 0.77 0.06 0.00 0.00 0.00 0.00 46.02 46.95 2whx n GLY 510 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2whx n PRO 511 N -4.11 0.08 0.00 1.61 -0.02 -1.26 -2.36 135.00 128.94 2whx n PRO 511 Ca 0.01 0.58 0.10 0.00 -2.02 0.00 0.00 63.50 62.16 2whx n PRO 511 Cb 0.12 -1.76 0.02 0.00 -0.02 0.00 0.00 33.50 31.87 2whx n PRO 511 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2whx n GLU 512 N -1.92 1.55 0.14 -0.52 1.02 0.54 -4.57 120.64 116.88 2whx n GLU 512 Ca -0.01 -1.10 0.00 0.00 -0.02 0.00 0.00 57.16 56.04 2whx n GLU 512 Cb 0.02 -1.38 0.27 0.00 -0.02 0.00 0.00 31.44 30.33 2whx n GLU 512 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2whx h ARG 513 N 2.56 0.08 0.00 3.49 3.08 -1.35 -2.84 114.38 119.40 2whx h ARG 513 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2whx h ARG 513 Cb 0.70 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.75 2whx h ARG 513 CO 0.00 0.51 0.00 -0.85 -1.07 0.00 0.00 179.97 178.56 2whx n GLU 514 N -4.00 0.10 0.00 0.04 0.28 -1.26 -3.50 120.64 112.30 2whx n GLU 514 Ca -0.02 0.36 0.15 0.00 -0.16 0.00 0.00 57.16 57.50 2whx n GLU 514 Cb 0.48 -1.71 0.75 0.00 1.43 0.00 0.00 31.44 32.40 2whx n GLU 514 CO 0.00 0.00 0.00 1.63 -0.16 0.00 0.00 177.13 178.60 2whx n LYS 515 N -1.91 0.91 -4.00 3.44 5.02 -1.07 -4.74 118.16 115.81 2whx n LYS 515 Ca 0.02 -0.21 -0.09 0.00 -2.02 0.00 0.00 58.31 56.02 2whx n LYS 515 Cb 0.19 -1.50 -0.11 0.00 -0.02 0.00 0.00 35.03 33.60 2whx n LYS 515 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2whx s THR 516 N -2.24 0.13 -2.51 -0.18 -1.32 -1.23 -4.67 115.64 103.63 2whx s THR 516 Ca 0.37 -1.10 0.25 0.00 -1.21 0.00 0.00 61.69 60.00 2whx s THR 516 Cb 0.21 -0.54 0.22 0.00 -1.51 0.00 0.00 72.50 70.88 2whx s THR 516 CO 0.41 -0.61 1.35 0.00 -2.21 0.00 0.00 174.62 173.57 2whx n GLN 517 N 1.27 1.74 -1.72 7.08 1.13 -1.26 -4.99 117.38 120.62 2whx n GLN 517 Ca -0.22 -1.33 -0.43 0.00 -1.94 0.00 0.00 57.00 53.08 2whx n GLN 517 Cb 0.56 -1.47 -0.01 0.00 0.11 0.00 0.00 30.24 29.43 2whx n GLN 517 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2whx n ALA 518 N 0.53 1.74 -2.35 -1.58 0.00 -1.26 -4.96 120.51 112.62 2whx n ALA 518 Ca 0.14 0.37 -0.40 0.00 0.00 0.00 0.00 53.44 53.54 2whx n ALA 518 Cb 0.49 -2.34 -0.05 0.00 0.00 0.00 0.00 19.45 17.55 2whx n ALA 518 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2whx s ILE 519 N -0.62 4.64 -0.12 0.00 -1.09 -1.26 -4.99 121.20 117.76 2whx s ILE 519 Ca 0.60 1.84 -0.39 0.00 -2.23 0.00 0.00 60.65 60.47 2whx s ILE 519 Cb -0.55 -4.21 -0.16 0.00 -1.58 0.00 0.00 42.46 35.95 2whx s ILE 519 CO 0.57 0.33 1.57 0.47 -1.23 0.00 0.00 174.94 176.65 2whx n ASP 520 N 2.85 2.07 0.00 3.58 8.00 -1.26 -2.00 116.55 129.79 2whx n ASP 520 Ca -0.00 1.09 0.00 0.00 0.71 0.00 0.00 54.79 56.59 2whx n ASP 520 Cb 0.50 -1.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.43 2whx n ASP 520 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2whx n GLY 521 N 3.46 1.67 0.21 0.44 0.00 -1.26 -4.89 105.19 104.82 2whx n GLY 521 Ca 0.23 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.40 2whx n GLY 521 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2whx h GLU 522 N 2.95 0.00 -0.48 1.61 4.11 -1.79 -2.24 114.58 118.74 2whx h GLU 522 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2whx h GLU 522 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2whx h GLU 522 CO 0.00 0.00 0.00 1.19 0.07 0.00 0.00 179.01 180.27 2whx n PHE 523 N -2.59 0.63 -1.99 2.06 3.72 -1.26 -4.98 117.46 113.04 2whx n PHE 523 Ca 0.00 -0.38 -0.42 0.00 -0.05 0.00 0.00 57.45 56.60 2whx n PHE 523 Cb 0.17 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.68 2whx n PHE 523 CO 0.00 0.00 0.00 0.50 -0.05 0.00 0.00 176.76 177.21 2whx s ARG 524 N -1.17 4.21 0.26 -1.08 3.52 -0.84 -4.74 118.95 119.12 2whx s ARG 524 Ca 0.37 2.25 0.08 0.00 -0.13 0.00 0.00 55.73 58.31 2whx s ARG 524 Cb 0.20 -3.59 -0.04 0.00 -1.56 0.00 0.00 34.95 29.96 2whx s ARG 524 CO 0.28 -0.70 0.12 -0.51 -0.81 0.00 0.00 175.30 173.68 2whx s LEU 525 N 2.59 3.58 0.20 -0.88 1.02 -1.26 -5.06 118.68 118.86 2whx s LEU 525 Ca 0.72 -0.40 -0.00 0.00 0.02 0.00 0.00 54.13 54.46 2whx s LEU 525 Cb -0.38 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.68 2whx s LEU 525 CO 0.31 -0.03 0.10 0.00 0.02 0.00 0.00 176.35 176.75 2whx s ARG 526 N -3.78 1.18 5.44 1.70 1.70 -1.26 -4.68 118.95 119.24 2whx s ARG 526 Ca 0.32 -1.61 0.00 0.00 -0.47 0.00 0.00 55.73 53.97 2whx s ARG 526 Cb -0.07 0.13 0.00 0.00 -0.57 0.00 0.00 34.95 34.43 2whx s ARG 526 CO 0.23 -0.33 0.00 0.41 -1.08 0.00 0.00 175.30 174.53 2whx n GLY 527 N -0.27 3.50 0.11 3.88 0.00 -1.26 -2.71 105.19 108.44 2whx n GLY 527 Ca -0.00 0.09 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 2whx n GLY 527 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2whx h GLU 528 N 0.00 0.16 -0.45 1.61 4.57 -1.99 -2.61 114.58 115.87 2whx h GLU 528 Ca 0.00 -0.20 -0.08 0.00 -1.18 0.00 0.00 59.36 57.90 2whx h GLU 528 Cb 0.00 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 2whx h GLU 528 CO 0.00 0.99 -0.02 1.96 -1.18 0.00 0.00 179.01 180.76 2whx h GLN 529 N 0.08 0.82 0.07 1.92 4.20 -1.79 -0.78 115.11 119.62 2whx h GLN 529 Ca -0.05 -0.27 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 2whx h GLN 529 Cb 1.61 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.33 2whx h GLN 529 CO 0.14 0.89 -0.03 -0.09 -0.67 0.00 0.00 178.83 179.07 2whx h ARG 530 N 0.66 -0.09 -0.62 1.46 9.65 -1.52 -0.54 114.38 123.38 2whx h ARG 530 Ca 0.13 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 59.02 2whx h ARG 530 Cb 0.53 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.10 2whx h ARG 530 CO 0.03 -0.05 0.41 0.87 2.80 0.00 0.00 179.97 184.03 2whx h LYS 531 N -0.09 0.81 -0.05 0.20 6.56 -1.35 -1.96 116.57 120.69 2whx h LYS 531 Ca -0.01 -0.05 -0.22 0.00 -1.06 0.00 0.00 60.65 59.31 2whx h LYS 531 Cb 0.07 -0.18 0.00 0.00 -0.57 0.00 0.00 32.23 31.55 2whx h LYS 531 CO 0.02 0.54 -0.86 1.15 -2.06 0.00 0.00 179.45 178.23 2whx h THR 532 N 0.84 1.36 -0.02 -0.16 2.02 -0.99 -2.34 112.91 113.62 2whx h THR 532 Ca 0.23 -2.26 0.03 0.00 0.77 0.00 0.00 66.41 65.18 2whx h THR 532 Cb -0.09 2.25 -0.04 0.00 -1.74 0.00 0.00 68.15 68.54 2whx h THR 532 CO -0.05 0.68 -0.17 0.15 0.37 0.00 0.00 175.52 176.51 2whx h PHE 533 N 0.31 -0.44 -0.54 3.16 3.57 -0.62 0.23 116.94 122.61 2whx h PHE 533 Ca -0.07 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.46 2whx h PHE 533 Cb 1.48 0.20 -0.03 0.00 2.79 0.00 0.00 35.95 40.39 2whx h PHE 533 CO 0.06 -0.24 0.36 0.28 -2.23 0.00 0.00 178.31 176.54 2whx h VAL 534 N -0.27 1.13 -0.49 1.41 2.07 -1.38 -2.98 116.25 115.74 2whx h VAL 534 Ca 0.06 -0.25 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 2whx h VAL 534 Cb 0.34 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2whx h VAL 534 CO -0.17 0.13 -0.19 -0.08 0.02 0.00 0.00 177.57 177.27 2whx h GLU 535 N 0.72 0.99 -0.35 1.57 4.81 -1.07 0.37 114.58 121.62 2whx h GLU 535 Ca 0.20 -0.41 0.04 0.00 -0.13 0.00 0.00 59.36 59.06 2whx h GLU 535 Cb -0.07 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.25 2whx h GLU 535 CO -0.05 1.08 0.24 -0.07 -0.73 0.00 0.00 179.01 179.48 2whx h LEU 536 N 0.86 0.28 0.02 1.64 3.38 -0.85 0.29 115.31 120.92 2whx h LEU 536 Ca 0.12 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 2whx h LEU 536 Cb 0.77 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2whx h LEU 536 CO 0.06 0.19 -0.27 0.24 0.09 0.00 0.00 178.44 178.75 2whx h MET 537 N 0.32 0.03 0.07 1.13 2.86 -1.31 -1.83 114.93 116.21 2whx h MET 537 Ca 0.15 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 2whx h MET 537 Cb 0.19 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.87 2whx h MET 537 CO -0.03 1.03 -0.03 -0.09 1.06 0.00 0.00 176.91 178.84 2whx h ARG 538 N -0.93 -0.09 0.00 1.72 2.43 -0.74 -2.43 114.38 114.34 2whx h ARG 538 Ca -0.06 0.01 -0.36 0.00 -0.81 0.00 0.00 59.98 58.75 2whx h ARG 538 Cb 1.12 0.02 -0.07 0.00 -0.42 0.00 0.00 29.97 30.62 2whx h ARG 538 CO -0.01 0.32 -2.36 -2.13 -1.51 0.00 0.00 179.97 174.28 2whx n ARG 539 N -4.93 0.76 0.22 0.20 0.63 0.03 -4.43 116.66 109.14 2whx n ARG 539 Ca -0.08 0.05 0.11 0.00 -0.92 0.00 0.00 57.85 57.00 2whx n ARG 539 Cb 0.24 -1.50 0.34 0.00 0.45 0.00 0.00 32.46 31.99 2whx n ARG 539 CO 0.00 0.00 0.00 0.78 -2.51 0.00 0.00 177.63 175.90 2whx h GLY 540 N 3.10 0.00 -1.73 5.14 0.00 -1.21 -3.47 103.07 104.90 2whx h GLY 540 Ca -0.54 0.00 -0.38 0.00 0.00 0.00 0.00 47.33 46.42 2whx h GLY 540 CO -0.01 0.00 -0.41 1.34 0.00 0.00 0.00 176.54 177.46 2whx n ASP 541 N -3.20 -5.31 -4.86 0.19 4.64 -0.77 -4.92 116.55 102.32 2whx n ASP 541 Ca 0.02 0.23 -0.31 0.00 -1.38 0.00 0.00 54.79 53.35 2whx n ASP 541 Cb 0.49 -4.41 -0.03 0.00 -1.04 0.00 0.00 41.12 36.13 2whx n ASP 541 CO 0.00 0.00 0.00 -0.76 -0.82 0.00 0.00 177.20 175.62 2whx s LEU 542 N -4.76 3.74 0.88 -2.67 1.43 -0.76 -4.99 118.68 111.54 2whx s LEU 542 Ca 0.00 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 54.31 2whx s LEU 542 Cb 0.00 -4.22 0.13 0.00 0.03 0.00 0.00 46.19 42.13 2whx s LEU 542 CO 0.00 -0.48 1.14 -2.84 0.23 0.00 0.00 176.35 174.40 2whx s PRO 543 N -3.97 1.26 0.08 1.29 0.02 -1.26 -4.47 135.00 127.95 2whx s PRO 543 Ca 0.54 1.50 -0.26 0.00 0.02 0.00 0.00 61.00 62.80 2whx s PRO 543 Cb -0.10 -1.76 -0.16 0.00 0.02 0.00 0.00 34.50 32.50 2whx s PRO 543 CO 0.32 -2.45 1.70 0.28 -0.33 0.00 0.00 177.00 176.52 2whx h VAL 544 N -1.69 0.76 -0.55 3.83 2.07 -1.96 -1.08 116.25 117.63 2whx h VAL 544 Ca -0.43 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.16 2whx h VAL 544 Cb 1.26 0.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 2whx h VAL 544 CO 0.43 0.00 0.23 -0.25 0.02 0.00 0.00 177.57 178.00 2whx h TRP 545 N -0.32 0.40 0.08 1.57 7.01 -1.93 0.15 115.95 122.92 2whx h TRP 545 Ca -0.03 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 60.99 2whx h TRP 545 Cb 0.25 -0.10 0.00 0.00 -2.10 0.00 0.00 29.16 27.21 2whx h TRP 545 CO -0.07 0.15 -0.04 1.25 -2.79 0.00 0.00 178.44 176.94 2whx h LEU 546 N 0.43 -0.09 -0.96 0.65 5.85 -1.92 -0.19 115.31 119.08 2whx h LEU 546 Ca 0.26 -0.29 0.20 0.00 0.84 0.00 0.00 57.88 58.88 2whx h LEU 546 Cb 0.26 0.02 -0.11 0.00 0.37 0.00 0.00 40.66 41.20 2whx h LEU 546 CO -0.24 0.25 0.55 0.28 -0.34 0.00 0.00 178.44 178.94 2whx h SER 547 N -0.45 0.66 -0.41 1.25 0.02 -0.95 -0.30 113.55 113.37 2whx h SER 547 Ca -0.01 0.11 -0.15 0.00 -0.84 0.00 0.00 61.79 60.90 2whx h SER 547 Cb 0.38 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2whx h SER 547 CO 0.02 0.20 -0.34 0.22 -1.14 0.00 0.00 176.83 175.79 2whx h TYR 548 N 0.66 1.13 -0.43 3.45 3.20 -0.47 -1.93 116.97 122.57 2whx h TYR 548 Ca 0.57 -0.32 -0.01 0.00 3.14 0.00 0.00 58.73 62.10 2whx h TYR 548 Cb 0.93 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.94 2whx h TYR 548 CO -0.04 1.15 0.23 0.87 -1.64 0.00 0.00 178.16 178.73 2whx h LYS 549 N 0.78 0.61 0.09 1.82 6.56 0.17 -1.22 116.57 125.38 2whx h LYS 549 Ca 0.07 -0.08 -0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2whx h LYS 549 Cb 0.93 -0.12 0.00 0.00 -0.57 0.00 0.00 32.23 32.48 2whx h LYS 549 CO 0.09 0.50 -0.04 0.28 -2.06 0.00 0.00 179.45 178.21 2whx h VAL 550 N 0.56 1.16 -0.77 0.50 2.07 -1.12 -2.78 116.25 115.87 2whx h VAL 550 Ca 0.15 -1.10 0.01 0.00 0.82 0.00 0.00 66.70 66.58 2whx h VAL 550 Cb 0.07 1.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.65 2whx h VAL 550 CO -0.02 0.26 0.51 0.00 0.02 0.00 0.00 177.57 178.33 2whx h ALA 551 N 0.18 0.98 0.00 1.67 0.00 -1.37 -2.50 119.26 118.22 2whx h ALA 551 Ca -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2whx h ALA 551 Cb 0.52 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2whx h ALA 551 CO 0.02 0.41 0.00 -1.13 0.00 0.00 0.00 179.25 178.55 2whx n SER 552 N -4.53 0.26 0.03 0.00 3.41 -0.46 -1.81 113.62 110.52 2whx n SER 552 Ca 0.08 0.53 0.12 0.00 -0.26 0.00 0.00 58.87 59.34 2whx n SER 552 Cb 0.02 -0.60 0.50 0.00 -0.26 0.00 0.00 64.21 63.88 2whx n SER 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2whx n ALA 553 N -1.59 2.14 -0.24 7.33 0.00 -0.95 -4.91 120.51 122.28 2whx n ALA 553 Ca 0.06 -0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2whx n ALA 553 Cb 0.33 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.36 2whx n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2whx n GLY 554 N 1.06 0.88 3.72 0.00 0.00 -0.75 -5.06 105.19 105.04 2whx n GLY 554 Ca 0.06 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2whx n GLY 554 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2whx s ILE 555 N -2.00 4.44 0.74 -0.61 1.01 -1.14 -5.05 121.20 118.59 2whx s ILE 555 Ca 0.00 1.95 -0.11 0.00 0.00 0.00 0.00 60.65 62.49 2whx s ILE 555 Cb 0.00 -4.25 0.04 0.00 0.01 0.00 0.00 42.46 38.26 2whx s ILE 555 CO 0.00 0.26 1.08 -0.55 0.00 0.00 0.00 174.94 175.73 2whx s SER 556 N 0.27 4.86 0.22 3.58 0.15 -1.26 -4.52 113.70 117.01 2whx s SER 556 Ca 0.49 1.70 -0.08 0.00 0.70 0.00 0.00 55.95 58.76 2whx s SER 556 Cb -0.24 -2.48 0.22 0.00 -1.71 0.00 0.00 66.02 61.81 2whx s SER 556 CO 0.30 -1.79 1.87 0.22 1.20 0.00 0.00 173.24 175.04 2whx h TYR 557 N -0.96 0.96 -0.00 3.44 3.20 -1.96 -2.97 116.97 118.68 2whx h TYR 557 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2whx h TYR 557 Cb 1.22 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 39.18 2whx h TYR 557 CO 0.59 0.56 -0.21 1.63 -1.64 0.00 0.00 178.16 179.09 2whx n LYS 558 N -4.58 0.41 -2.80 1.82 4.76 -1.26 -4.77 118.16 111.74 2whx n LYS 558 Ca 0.09 -0.17 -0.42 0.00 -2.87 0.00 0.00 58.31 54.94 2whx n LYS 558 Cb 0.07 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.73 2whx n LYS 558 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2whx s ASP 559 N -2.71 6.90 0.00 4.39 3.68 -1.12 -4.92 116.67 122.90 2whx s ASP 559 Ca 0.21 1.10 0.05 0.00 2.13 0.00 0.00 52.55 56.04 2whx s ASP 559 Cb 0.19 -2.48 0.09 0.00 -1.45 0.00 0.00 42.92 39.27 2whx s ASP 559 CO 0.55 -0.61 0.86 0.54 0.13 0.00 0.00 175.17 176.63 2whx n ARG 560 N 6.22 1.06 -0.32 4.34 5.12 -1.26 -4.70 116.66 127.11 2whx n ARG 560 Ca 0.08 -1.21 0.25 0.00 -1.93 0.00 0.00 57.85 55.04 2whx n ARG 560 Cb 0.47 -1.12 0.56 0.00 -1.16 0.00 0.00 32.46 31.21 2whx n ARG 560 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2whx h GLU 561 N 1.05 0.30 0.00 5.56 4.39 -1.95 0.06 114.58 123.99 2whx h GLU 561 Ca 0.00 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.68 2whx h GLU 561 Cb 0.39 -0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2whx h GLU 561 CO 0.00 0.20 -0.02 0.11 -1.16 0.00 0.00 179.01 178.14 2whx h TRP 562 N 0.31 0.00 0.00 4.33 5.08 -1.96 -1.93 115.95 121.78 2whx h TRP 562 Ca 0.60 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.57 2whx h TRP 562 Cb 1.67 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.83 2whx h TRP 562 CO -0.00 0.02 0.00 0.00 -1.28 0.00 0.00 178.44 177.18 2whx n PHE 564 N -1.36 0.00 0.91 0.00 3.72 -0.75 -1.08 117.46 118.90 2whx n PHE 564 Ca 0.06 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2whx n PHE 564 Cb 0.15 0.00 0.39 0.00 -0.94 0.00 0.00 39.48 39.08 2whx n PHE 564 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2whx n THR 565 N -0.33 0.10 -0.69 4.37 -1.04 -1.05 -4.70 114.28 110.92 2whx n THR 565 Ca 0.00 -0.06 -0.29 0.00 -2.04 0.00 0.00 64.05 61.66 2whx n THR 565 Cb 0.04 -0.15 0.21 0.00 -1.82 0.00 0.00 70.33 68.61 2whx n THR 565 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2whx s GLY 566 N -3.13 1.59 0.87 3.41 0.00 0.91 -4.78 107.32 106.20 2whx s GLY 566 Ca 0.11 0.07 -0.13 0.00 0.00 0.00 0.00 44.72 44.78 2whx s GLY 566 CO 0.63 0.68 1.18 -0.54 0.00 0.00 0.00 173.10 175.05 2whx s GLU 567 N -4.59 1.43 0.28 2.90 8.01 -1.26 -4.89 118.70 120.58 2whx s GLU 567 Ca 0.67 0.10 -0.08 0.00 0.01 0.00 0.00 54.97 55.68 2whx s GLU 567 Cb -0.23 -1.89 0.47 0.00 -4.31 0.00 0.00 34.13 28.17 2whx s GLU 567 CO 0.62 -1.96 1.57 -0.09 0.01 0.00 0.00 175.26 175.40 2whx h ARG 568 N -1.32 0.00 0.00 1.61 1.12 -1.99 0.30 114.38 114.10 2whx h ARG 568 Ca -0.47 -0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.40 2whx h ARG 568 Cb 1.32 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 31.28 2whx h ARG 568 CO 0.60 0.00 0.00 0.09 -3.11 0.00 0.00 179.97 177.55 2whx n ASN 569 N -5.60 0.31 -0.27 -3.80 3.02 -1.26 -2.75 115.26 104.90 2whx n ASN 569 Ca 0.16 0.56 0.15 0.00 -0.03 0.00 0.00 54.58 55.42 2whx n ASN 569 Cb 0.51 -0.63 0.68 0.00 -0.61 0.00 0.00 39.78 39.73 2whx n ASN 569 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2whx n ASN 570 N -1.83 0.87 -4.67 6.41 4.13 0.09 -4.88 115.26 115.38 2whx n ASN 570 Ca 0.04 -1.23 -0.51 0.00 1.68 0.00 0.00 54.58 54.56 2whx n ASN 570 Cb 0.23 -0.00 -0.05 0.00 -1.54 0.00 0.00 39.78 38.42 2whx n ASN 570 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2whx n GLN 571 N -0.36 1.83 -2.64 3.52 -0.06 -1.11 -3.96 117.38 114.61 2whx n GLN 571 Ca 0.20 0.66 -0.41 0.00 -2.00 0.00 0.00 57.00 55.45 2whx n GLN 571 Cb 0.26 -2.51 -0.04 0.00 -4.06 0.00 0.00 30.24 23.89 2whx n GLN 571 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2whx s ILE 572 N 4.33 4.25 -0.03 1.69 -1.09 -0.26 -5.00 121.20 125.08 2whx s ILE 572 Ca 0.96 1.88 0.01 0.00 -2.23 0.00 0.00 60.65 61.27 2whx s ILE 572 Cb -0.79 -4.20 -0.03 0.00 -1.58 0.00 0.00 42.46 35.85 2whx s ILE 572 CO 0.55 0.30 -0.01 -0.76 -1.23 0.00 0.00 174.94 173.78 2whx s LEU 573 N -0.09 3.47 -0.05 2.97 1.43 -1.26 -1.38 118.68 123.76 2whx s LEU 573 Ca 0.48 0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.61 2whx s LEU 573 Cb -0.26 -1.92 0.02 0.00 0.03 0.00 0.00 46.19 44.06 2whx s LEU 573 CO 0.32 0.31 -0.05 -0.70 0.23 0.00 0.00 176.35 176.46 2whx s GLU 574 N -1.31 0.94 -1.33 1.70 2.12 1.00 -4.86 118.70 116.96 2whx s GLU 574 Ca 0.17 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.37 2whx s GLU 574 Cb -0.11 -0.95 0.00 0.00 0.26 0.00 0.00 34.13 33.33 2whx s GLU 574 CO 0.07 -0.10 0.00 0.39 -0.54 0.00 0.00 175.26 175.08 2whx n GLU 575 N 4.17 -0.95 -1.10 4.30 -0.58 -1.26 0.10 120.64 125.32 2whx n GLU 575 Ca -0.22 0.08 -0.03 0.00 -0.42 0.00 0.00 57.16 56.56 2whx n GLU 575 Cb 0.51 -3.08 -0.01 0.00 -0.57 0.00 0.00 31.44 28.29 2whx n GLU 575 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2whx n ASN 576 N -2.44 -4.06 -4.37 1.62 5.03 -1.26 -5.01 115.26 104.76 2whx n ASN 576 Ca -0.28 0.08 -0.32 0.00 0.87 0.00 0.00 54.58 54.93 2whx n ASN 576 Cb 0.60 -1.86 -0.15 0.00 -1.02 0.00 0.00 39.78 37.36 2whx n ASN 576 CO 0.00 0.00 0.00 -0.04 -1.83 0.00 0.00 177.26 175.39 2whx s MET 577 N -1.57 2.47 -0.16 3.52 -1.94 0.11 -5.08 119.30 116.65 2whx s MET 577 Ca 0.00 -0.81 -0.29 0.00 -1.71 0.00 0.00 55.69 52.88 2whx s MET 577 Cb 0.00 -2.25 -0.04 0.00 2.01 0.00 0.00 34.83 34.55 2whx s MET 577 CO 0.00 0.52 1.72 -1.21 -0.01 0.00 0.00 175.02 176.04 2whx s GLU 578 N -0.48 3.83 0.05 2.03 2.02 -1.26 -0.00 118.70 124.88 2whx s GLU 578 Ca 0.06 1.89 -0.30 0.00 0.02 0.00 0.00 54.97 56.64 2whx s GLU 578 Cb -0.12 -4.07 -0.08 0.00 0.10 0.00 0.00 34.13 29.97 2whx s GLU 578 CO 0.01 -1.26 1.61 0.08 0.02 0.00 0.00 175.26 175.73 2whx s VAL 579 N 5.23 3.19 -0.04 2.63 1.01 -0.48 -4.92 120.40 127.02 2whx s VAL 579 Ca 0.76 0.60 0.04 0.00 0.00 0.00 0.00 61.98 63.38 2whx s VAL 579 Cb -0.29 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.68 2whx s VAL 579 CO 0.31 -0.01 -0.15 -1.61 0.00 0.00 0.00 175.10 173.64 2whx s GLU 580 N 2.73 2.46 -0.06 2.72 2.02 -1.26 -0.45 118.70 126.86 2whx s GLU 580 Ca 0.72 -0.72 0.03 0.00 0.02 0.00 0.00 54.97 55.02 2whx s GLU 580 Cb -0.38 -2.35 -0.02 0.00 0.10 0.00 0.00 34.13 31.48 2whx s GLU 580 CO 0.31 0.62 -0.14 0.42 0.02 0.00 0.00 175.26 176.48 2whx s ILE 581 N -0.74 3.05 -0.58 -1.63 -1.09 0.33 -4.88 121.20 115.65 2whx s ILE 581 Ca 0.12 -0.72 -0.21 0.00 -2.23 0.00 0.00 60.65 57.60 2whx s ILE 581 Cb -0.11 -2.20 0.07 0.00 -1.58 0.00 0.00 42.46 38.64 2whx s ILE 581 CO 0.01 0.58 0.81 0.26 -1.23 0.00 0.00 174.94 175.37 2whx s TRP 582 N -0.60 2.87 1.30 3.97 0.52 -1.26 -0.36 118.94 125.38 2whx s TRP 582 Ca 0.09 -0.51 -0.21 0.00 0.02 0.00 0.00 56.10 55.49 2whx s TRP 582 Cb -0.11 -3.98 0.32 0.00 -1.15 0.00 0.00 33.47 28.55 2whx s TRP 582 CO 0.01 -1.34 1.04 0.95 0.02 0.00 0.00 176.95 177.63 2whx s THR 583 N 3.37 1.42 0.10 2.01 -4.23 0.11 -4.74 115.64 113.68 2whx s THR 583 Ca 0.20 0.00 -0.26 0.00 -1.18 0.00 0.00 61.69 60.45 2whx s THR 583 Cb -0.18 -2.33 -0.10 0.00 1.34 0.00 0.00 72.50 71.23 2whx s THR 583 CO 0.12 0.00 1.67 -0.09 -0.54 0.00 0.00 174.62 175.78 2whx h ARG 584 N -2.95 -0.34 -0.60 3.99 9.65 -1.65 -3.03 114.38 119.46 2whx h ARG 584 Ca -0.43 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.47 2whx h ARG 584 Cb 1.31 0.08 0.00 0.00 -1.39 0.00 0.00 29.97 29.96 2whx h ARG 584 CO 0.30 -0.22 0.00 -0.85 2.80 0.00 0.00 179.97 182.00 2whx n GLU 585 N -5.30 2.50 -0.31 0.20 -0.00 -1.26 -4.90 120.64 111.56 2whx n GLU 585 Ca -0.07 -1.51 0.00 0.00 -0.00 0.00 0.00 57.16 55.58 2whx n GLU 585 Cb 0.22 -1.62 0.00 0.00 -0.00 0.00 0.00 31.44 30.04 2whx n GLU 585 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2whx n GLY 586 N 0.69 0.82 3.85 -1.84 0.00 -1.14 -5.08 105.19 102.48 2whx n GLY 586 Ca 0.14 -0.23 -0.36 0.00 0.00 0.00 0.00 46.02 45.57 2whx n GLY 586 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2whx s GLU 587 N -0.64 3.84 -0.37 1.61 2.02 -1.26 -4.84 118.70 119.05 2whx s GLU 587 Ca 0.00 0.30 -0.17 0.00 0.02 0.00 0.00 54.97 55.11 2whx s GLU 587 Cb 0.00 -3.10 0.00 0.00 0.10 0.00 0.00 34.13 31.13 2whx s GLU 587 CO 0.00 0.62 0.46 0.21 0.02 0.00 0.00 175.26 176.57 2whx s LYS 588 N -1.52 3.45 0.04 1.61 2.20 -1.26 0.04 119.74 124.31 2whx s LYS 588 Ca 0.29 -0.40 0.06 0.00 -0.36 0.00 0.00 55.97 55.56 2whx s LYS 588 Cb -0.15 -3.86 -0.02 0.00 -1.51 0.00 0.00 37.83 32.29 2whx s LYS 588 CO 0.16 -0.68 -0.16 0.15 -0.36 0.00 0.00 175.35 174.46 2whx s LYS 589 N 2.25 1.04 0.15 4.03 1.02 0.52 -4.93 119.74 123.81 2whx s LYS 589 Ca 0.15 -0.82 -0.31 0.00 0.02 0.00 0.00 55.97 55.02 2whx s LYS 589 Cb -0.16 -1.08 -0.08 0.00 -0.52 0.00 0.00 37.83 35.99 2whx s LYS 589 CO 0.13 0.27 1.34 0.15 -0.92 0.00 0.00 175.35 176.32 2whx s LYS 590 N -1.19 4.36 -0.41 1.68 -0.14 -1.26 0.12 119.74 122.89 2whx s LYS 590 Ca 0.03 2.04 -0.28 0.00 -1.36 0.00 0.00 55.97 56.40 2whx s LYS 590 Cb -0.08 -3.23 -0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2whx s LYS 590 CO 0.01 -0.33 1.56 -1.17 -0.76 0.00 0.00 175.35 174.66 2whx s LEU 591 N 0.52 3.52 -0.47 3.17 2.96 0.40 -4.66 118.68 124.13 2whx s LEU 591 Ca 0.60 0.89 0.06 0.00 -0.22 0.00 0.00 54.13 55.47 2whx s LEU 591 Cb -0.36 -3.43 0.19 0.00 0.50 0.00 0.00 46.19 43.10 2whx s LEU 591 CO 0.34 -1.60 0.58 -1.14 -1.32 0.00 0.00 176.35 173.21 2whx n ARG 592 N 8.32 0.44 -2.22 1.98 0.63 -0.24 -1.10 116.66 124.46 2whx n ARG 592 Ca 0.18 -2.51 -0.36 0.00 -0.92 0.00 0.00 57.85 54.24 2whx n ARG 592 Cb 0.48 -1.53 0.00 0.00 0.45 0.00 0.00 32.46 31.87 2whx n ARG 592 CO 0.00 0.00 0.00 -2.14 -2.51 0.00 0.00 177.63 172.98 2whx s PRO 593 N 0.41 3.39 0.15 -0.14 0.02 -1.05 -0.06 135.00 137.72 2whx s PRO 593 Ca 0.32 1.69 -0.14 0.00 0.02 0.00 0.00 61.00 62.89 2whx s PRO 593 Cb 0.05 -2.09 0.03 0.00 0.02 0.00 0.00 34.50 32.50 2whx s PRO 593 CO -0.13 -0.83 1.67 -0.22 -0.33 0.00 0.00 177.00 177.16 2whx h LYS 594 N 1.36 0.77 -5.38 5.54 3.64 -0.16 -3.31 116.57 119.02 2whx h LYS 594 Ca -0.50 -0.17 -0.64 0.00 -1.27 0.00 0.00 60.65 58.07 2whx h LYS 594 Cb 1.26 -0.11 -0.22 0.00 -0.41 0.00 0.00 32.23 32.76 2whx h LYS 594 CO 0.57 0.72 -0.68 -1.58 -2.27 0.00 0.00 179.45 176.22 2whx s TRP 595 N -5.40 3.00 -0.39 1.91 0.51 -1.26 -4.82 118.94 112.49 2whx s TRP 595 Ca -0.13 -0.30 -0.09 0.00 -2.12 0.00 0.00 56.10 53.46 2whx s TRP 595 Cb 0.11 -1.92 0.05 0.00 -0.81 0.00 0.00 33.47 30.91 2whx s TRP 595 CO 0.78 -0.01 0.20 -1.17 -0.51 0.00 0.00 176.95 176.25 2whx s LEU 596 N 0.23 4.82 -0.30 2.99 2.96 -1.26 -5.05 118.68 123.07 2whx s LEU 596 Ca -0.03 -1.26 -0.05 0.00 -0.22 0.00 0.00 54.13 52.57 2whx s LEU 596 Cb -0.14 -1.97 0.03 0.00 0.50 0.00 0.00 46.19 44.61 2whx s LEU 596 CO 0.03 -0.44 0.05 -0.62 -1.32 0.00 0.00 176.35 174.05 2whx s ASP 597 N 1.76 5.00 0.54 3.68 3.68 -1.26 -1.28 116.67 128.79 2whx s ASP 597 Ca 0.02 -0.98 0.20 0.00 2.13 0.00 0.00 52.55 53.91 2whx s ASP 597 Cb -0.21 -1.81 1.41 0.00 -1.45 0.00 0.00 42.92 40.87 2whx s ASP 597 CO 0.04 -0.24 2.18 0.00 0.13 0.00 0.00 175.17 177.28 2whx h ALA 598 N 8.15 1.87 0.00 3.66 0.00 -1.48 -2.15 119.26 129.30 2whx h ALA 598 Ca -0.27 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.62 2whx h ALA 598 Cb 1.10 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2whx h ALA 598 CO 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 179.25 179.74 2whx h ARG 599 N 0.00 0.00 0.00 0.00 3.08 -1.94 0.16 114.38 115.68 2whx h ARG 599 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2whx h ARG 599 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.05 2whx h ARG 599 CO 0.00 0.10 0.00 -0.39 -1.07 0.00 0.00 179.97 178.61 2whx h VAL 600 N 0.00 0.00 0.00 2.04 -1.51 -1.72 -3.33 116.25 111.73 2whx h VAL 600 Ca -0.00 -0.59 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 2whx h VAL 600 Cb 0.20 1.56 0.00 0.00 -2.13 0.00 0.00 31.29 30.92 2whx h VAL 600 CO 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.35 2whx n TYR 601 N -2.97 0.00 0.06 5.19 4.11 -0.63 -1.40 117.16 121.52 2whx n TYR 601 Ca 0.02 0.00 0.03 0.00 -0.00 0.00 0.00 57.90 57.95 2whx n TYR 601 Cb 0.35 0.00 -0.05 0.00 -0.00 0.00 0.00 39.34 39.64 2whx n TYR 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2whx h ALA 602 N 0.00 0.62 -2.79 -3.48 0.00 -0.86 -3.44 119.26 109.32 2whx h ALA 602 Ca 0.00 -0.61 -0.67 0.00 0.00 0.00 0.00 54.91 53.63 2whx h ALA 602 Cb 0.06 0.19 -0.19 0.00 0.00 0.00 0.00 17.79 17.84 2whx h ALA 602 CO 0.00 0.67 -0.51 0.34 0.00 0.00 0.00 179.25 179.75 2whx s ASP 603 N -5.73 5.91 0.51 0.00 -1.08 -1.25 -4.78 116.67 110.25 2whx s ASP 603 Ca -0.02 -0.37 0.18 0.00 -0.52 0.00 0.00 52.55 51.82 2whx s ASP 603 Cb 0.09 -2.10 1.26 0.00 -1.46 0.00 0.00 42.92 40.71 2whx s ASP 603 CO 0.80 -0.19 2.09 -0.65 0.52 0.00 0.00 175.17 177.74 2whx h PRO 604 N 8.43 0.07 -0.21 4.34 0.11 -1.92 0.93 132.00 143.75 2whx h PRO 604 Ca -0.32 -0.00 -0.20 0.00 0.11 0.00 0.00 66.00 65.58 2whx h PRO 604 Cb 1.16 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.26 2whx h PRO 604 CO 0.61 0.04 -0.67 0.52 -0.21 0.00 0.00 178.00 178.30 2whx h MET 605 N 0.07 0.79 -0.32 1.05 2.86 -1.95 -2.70 114.93 114.73 2whx h MET 605 Ca 0.10 -0.58 -0.10 0.00 -2.06 0.00 0.00 59.70 57.07 2whx h MET 605 Cb 0.33 0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 2whx h MET 605 CO -0.01 1.20 -0.22 0.00 1.06 0.00 0.00 176.91 178.94 2whx h ALA 606 N 0.66 1.01 -0.14 6.32 0.00 -1.22 -0.77 119.26 125.13 2whx h ALA 606 Ca -0.02 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 2whx h ALA 606 Cb 1.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.93 2whx h ALA 606 CO 0.14 0.59 0.04 1.25 0.00 0.00 0.00 179.25 181.27 2whx h LEU 607 N 0.55 0.20 -0.69 0.00 6.46 0.31 0.27 115.31 122.41 2whx h LEU 607 Ca 0.08 -0.21 0.03 0.00 -0.12 0.00 0.00 57.88 57.66 2whx h LEU 607 Cb 0.67 -0.05 -0.04 0.00 -0.73 0.00 0.00 40.66 40.51 2whx h LEU 607 CO 0.05 0.36 0.43 0.50 -0.62 0.00 0.00 178.44 179.16 2whx h LYS 608 N 0.03 0.83 -0.64 1.25 3.64 -1.31 0.12 116.57 120.51 2whx h LYS 608 Ca 0.04 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.32 2whx h LYS 608 Cb 0.23 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 2whx h LYS 608 CO -0.00 0.55 0.20 -0.44 -2.27 0.00 0.00 179.45 177.49 2whx h ASP 609 N 0.86 0.93 -0.04 4.20 3.45 -1.01 -2.83 116.42 121.97 2whx h ASP 609 Ca 0.27 -0.21 -0.14 0.00 0.43 0.00 0.00 57.03 57.38 2whx h ASP 609 Cb 0.00 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.52 2whx h ASP 609 CO -0.10 0.89 -0.45 0.15 -1.57 0.00 0.00 179.24 178.16 2whx h PHE 610 N 0.92 0.70 -0.89 4.55 3.57 0.32 -1.69 116.94 124.42 2whx h PHE 610 Ca 0.21 -0.22 -0.01 0.00 3.53 0.00 0.00 57.97 61.48 2whx h PHE 610 Cb 0.29 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2whx h PHE 610 CO 0.02 0.93 0.51 0.87 -2.23 0.00 0.00 178.31 178.41 2whx h LYS 611 N 0.47 1.21 -0.47 1.11 1.57 -0.75 0.21 116.57 119.93 2whx h LYS 611 Ca 0.03 -0.12 -0.08 0.00 -1.87 0.00 0.00 60.65 58.61 2whx h LYS 611 Cb 0.96 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 2whx h LYS 611 CO 0.09 0.87 -0.04 0.93 -0.57 0.00 0.00 179.45 180.72 2whx h GLU 612 N 1.23 0.80 -0.12 3.15 4.39 -1.23 -1.10 114.58 121.69 2whx h GLU 612 Ca 0.32 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.76 2whx h GLU 612 Cb -0.02 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.54 2whx h GLU 612 CO -0.06 0.83 -0.01 0.35 -1.16 0.00 0.00 179.01 178.97 2whx h PHE 613 N 0.74 0.24 -0.24 4.33 3.57 -0.58 -2.72 116.94 122.28 2whx h PHE 613 Ca 0.14 -0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 2whx h PHE 613 Cb 0.50 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2whx h PHE 613 CO 0.03 0.47 0.13 0.00 -2.23 0.00 0.00 178.31 176.71 2whx h ALA 614 N 0.74 1.78 0.00 2.41 0.00 -0.53 -2.36 119.26 121.30 2whx h ALA 614 Ca 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2whx h ALA 614 Cb 0.38 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2whx h ALA 614 CO 0.01 0.19 -0.17 0.77 0.00 0.00 0.00 179.25 180.04 2whx h SER 615 N 0.32 0.00 0.00 0.00 0.02 -1.07 -3.44 113.55 109.38 2whx h SER 615 Ca 0.09 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.04 2whx h SER 615 Cb 0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.55 2whx h SER 615 CO -0.01 0.17 0.00 0.61 -1.14 0.00 0.00 176.83 176.46 2whx n GLY 616 N 0.25 0.85 0.10 -3.77 0.00 -0.89 -1.80 105.19 99.94 2whx n GLY 616 Ca 0.01 -0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.13 2whx n GLY 616 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2whx h ARG 617 N 2.95 0.00 -0.01 1.61 -0.00 -1.73 -3.48 114.38 113.72 2whx h ARG 617 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.48 2whx h ARG 617 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.97 29.97 2whx h ARG 617 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 179.97 181.14