#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2za5 s VAL 17 N 0.00 5.22 0.00 1.39 1.01 0.12 -4.23 120.40 123.91 2za5 s VAL 17 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 61.98 62.78 2za5 s VAL 17 Cb 0.00 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.63 2za5 s VAL 17 CO 0.00 0.33 0.00 0.61 0.00 0.00 0.00 175.10 176.04 2za5 n GLY 18 N 3.41 -0.54 5.07 4.51 0.00 -1.24 -2.46 105.19 113.94 2za5 n GLY 18 Ca -0.09 -1.11 0.05 0.00 0.00 0.00 0.00 46.02 44.88 2za5 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2za5 n GLY 19 N 0.00 -1.03 0.70 -0.02 0.00 -1.26 -4.81 105.19 98.76 2za5 n GLY 19 Ca 0.00 -0.86 -0.04 0.00 0.00 0.00 0.00 46.02 45.12 2za5 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2za5 n GLN 20 N -2.31 0.11 -2.04 1.61 10.64 -0.38 -4.91 117.38 120.11 2za5 n GLN 20 Ca 0.00 -0.66 -0.41 0.00 -1.83 0.00 0.00 57.00 54.11 2za5 n GLN 20 Cb 0.18 0.58 -0.01 0.00 -0.86 0.00 0.00 30.24 30.13 2za5 n GLN 20 CO 0.00 0.00 0.00 -1.21 -1.83 0.00 0.00 177.06 174.02 2za5 s GLU 21 N -2.24 4.25 0.13 2.61 2.02 -1.26 -0.69 118.70 123.52 2za5 s GLU 21 Ca 0.07 2.28 -0.29 0.00 0.02 0.00 0.00 54.97 57.05 2za5 s GLU 21 Cb 0.00 -3.00 -0.06 0.00 0.10 0.00 0.00 34.13 31.17 2za5 s GLU 21 CO 0.05 -0.31 0.92 0.00 0.02 0.00 0.00 175.26 175.95 2za5 s ALA 22 N -1.16 3.29 0.59 5.21 0.00 -0.06 -4.77 121.76 124.87 2za5 s ALA 22 Ca 0.51 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.79 2za5 s ALA 22 Cb -0.41 -3.21 -0.03 0.00 0.00 0.00 0.00 23.12 19.47 2za5 s ALA 22 CO 0.54 0.05 1.34 -2.14 0.00 0.00 0.00 175.76 175.55 2za5 s PRO 23 N -0.27 2.87 0.49 0.00 0.02 -1.26 -4.89 135.00 131.96 2za5 s PRO 23 Ca 0.44 2.19 0.18 0.00 0.02 0.00 0.00 61.00 63.83 2za5 s PRO 23 Cb -0.23 -2.08 1.22 0.00 0.02 0.00 0.00 34.50 33.42 2za5 s PRO 23 CO 0.29 -1.39 2.05 0.00 -0.33 0.00 0.00 177.00 177.62 2za5 h ARG 24 N 1.06 0.14 0.00 5.54 3.08 -2.00 -1.86 114.38 120.33 2za5 h ARG 24 Ca -0.51 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.53 2za5 h ARG 24 Cb 1.32 -0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.34 2za5 h ARG 24 CO 0.55 0.10 0.00 -1.13 -1.07 0.00 0.00 179.97 178.42 2za5 n SER 25 N -4.47 0.55 -4.90 7.04 3.41 -1.26 -4.89 113.62 109.11 2za5 n SER 25 Ca 0.05 0.58 -0.31 0.00 -0.26 0.00 0.00 58.87 58.92 2za5 n SER 25 Cb 0.32 -0.71 -0.05 0.00 -0.26 0.00 0.00 64.21 63.51 2za5 n SER 25 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2za5 s LYS 26 N -3.13 3.64 -1.20 4.33 1.02 -0.70 -4.56 119.74 119.13 2za5 s LYS 26 Ca 0.09 -0.05 -0.02 0.00 0.02 0.00 0.00 55.97 56.01 2za5 s LYS 26 Cb 0.12 -2.81 0.00 0.00 -0.52 0.00 0.00 37.83 34.63 2za5 s LYS 26 CO 0.50 0.43 1.02 0.91 -0.92 0.00 0.00 175.35 177.29 2za5 n TRP 27 N -0.01 -2.31 0.08 3.18 5.03 -1.26 -4.87 117.44 117.27 2za5 n TRP 27 Ca -0.02 0.93 0.03 0.00 3.03 0.00 0.00 57.50 61.47 2za5 n TRP 27 Cb 0.52 -4.97 0.13 0.00 -1.03 0.00 0.00 31.31 25.97 2za5 n TRP 27 CO 0.00 0.00 0.00 -0.35 -0.03 0.00 0.00 177.69 177.31 2za5 n PRO 28 N -4.27 0.03 0.00 -0.99 -0.04 -1.26 -1.49 135.00 126.98 2za5 n PRO 28 Ca -0.20 0.50 0.12 0.00 -0.04 0.00 0.00 63.50 63.88 2za5 n PRO 28 Cb 0.63 -1.58 0.25 0.00 -0.04 0.00 0.00 33.50 32.76 2za5 n PRO 28 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 2za5 n TRP 29 N -1.64 0.00 -2.02 0.54 2.14 -1.13 -2.62 117.44 112.71 2za5 n TRP 29 Ca 0.00 0.00 -0.42 0.00 2.07 0.00 0.00 57.50 59.15 2za5 n TRP 29 Cb 0.02 -0.11 -0.03 0.00 -0.81 0.00 0.00 31.31 30.38 2za5 n TRP 29 CO 0.00 0.00 0.00 -1.14 2.07 0.00 0.00 177.69 178.62 2za5 s GLN 30 N -2.63 4.26 0.23 -2.67 2.00 -0.55 -0.59 119.66 119.71 2za5 s GLN 30 Ca 0.19 2.28 0.07 0.00 -2.00 0.00 0.00 55.36 55.90 2za5 s GLN 30 Cb 0.18 -3.15 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 2za5 s GLN 30 CO 0.59 -0.48 -0.11 0.14 -0.50 0.00 0.00 175.29 174.93 2za5 s VAL 31 N 0.57 1.65 -0.10 1.34 -7.23 -0.48 -1.98 120.40 114.16 2za5 s VAL 31 Ca 0.64 -2.17 0.04 0.00 -1.81 0.00 0.00 61.98 58.67 2za5 s VAL 31 Cb -0.42 -2.19 -0.00 0.00 0.56 0.00 0.00 36.38 34.34 2za5 s VAL 31 CO 0.37 -0.49 -0.23 -0.55 -0.31 0.00 0.00 175.10 173.89 2za5 s SER 32 N -3.35 3.18 -0.08 4.85 0.15 0.02 -2.10 113.70 116.37 2za5 s SER 32 Ca 0.25 -0.54 -0.19 0.00 0.70 0.00 0.00 55.95 56.17 2za5 s SER 32 Cb 0.01 -1.40 -0.04 0.00 -1.71 0.00 0.00 66.02 62.87 2za5 s SER 32 CO 0.08 0.16 0.53 -0.76 1.20 0.00 0.00 173.24 174.46 2za5 s LEU 33 N 0.32 4.33 -0.03 3.45 1.43 -0.36 -1.06 118.68 126.76 2za5 s LEU 33 Ca -0.18 0.96 0.05 0.00 -1.03 0.00 0.00 54.13 53.93 2za5 s LEU 33 Cb -0.18 -2.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.22 2za5 s LEU 33 CO 0.08 0.03 -0.15 -0.13 0.23 0.00 0.00 176.35 176.41 2za5 s ARG 34 N 0.35 2.40 -0.08 1.70 1.81 0.17 -1.80 118.95 123.50 2za5 s ARG 34 Ca 0.29 -0.77 0.00 0.00 -1.72 0.00 0.00 55.73 53.53 2za5 s ARG 34 Cb -0.16 -2.33 -0.03 0.00 -0.45 0.00 0.00 34.95 31.98 2za5 s ARG 34 CO 0.13 0.60 -0.06 0.54 -0.68 0.00 0.00 175.30 175.83 2za5 s VAL 35 N -0.78 3.74 0.49 3.52 0.11 -0.21 -1.68 120.40 125.58 2za5 s VAL 35 Ca 0.12 -0.46 -0.23 0.00 -2.93 0.00 0.00 61.98 58.49 2za5 s VAL 35 Cb -0.11 -2.55 -0.07 0.00 -1.53 0.00 0.00 36.38 32.13 2za5 s VAL 35 CO 0.02 0.58 1.25 -2.28 -3.33 0.00 0.00 175.10 171.34 2za5 s HIS 36 N -0.63 2.66 -0.20 1.54 2.46 -0.50 -1.94 115.29 118.67 2za5 s HIS 36 Ca 0.10 1.47 0.00 0.00 0.47 0.00 0.00 55.06 57.09 2za5 s HIS 36 Cb -0.12 -3.56 0.00 0.00 -0.13 0.00 0.00 32.58 28.78 2za5 s HIS 36 CO 0.02 -2.07 0.00 0.41 -2.47 0.00 0.00 174.74 170.63 2za5 n GLY 37 N 0.57 -0.84 0.32 1.59 0.00 -1.26 -4.90 105.19 100.67 2za5 n GLY 37 Ca 0.08 -0.23 0.17 0.00 0.00 0.00 0.00 46.02 46.04 2za5 n GLY 37 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2za5 h PRO 38 N 0.00 0.00 -3.85 1.61 0.11 -2.04 -3.42 132.00 124.41 2za5 h PRO 38 Ca 0.00 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.99 2za5 h PRO 38 Cb 0.00 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 31.02 2za5 h PRO 38 CO 0.00 0.00 -0.19 1.52 -0.21 0.00 0.00 178.00 179.12 2za5 s TYR 39 N -4.56 0.59 -1.11 0.65 1.13 -1.26 -5.08 117.35 107.70 2za5 s TYR 39 Ca -0.05 -0.92 -0.21 0.00 -1.41 0.00 0.00 57.07 54.49 2za5 s TYR 39 Cb 0.15 0.05 0.06 0.00 -1.10 0.00 0.00 41.96 41.12 2za5 s TYR 39 CO 0.52 -0.98 1.54 -1.58 -2.51 0.00 0.00 175.55 172.53 2za5 s TRP 40 N -3.83 2.64 0.07 -3.49 0.52 -1.26 -4.65 118.94 108.94 2za5 s TRP 40 Ca 0.26 -1.14 -0.26 0.00 0.02 0.00 0.00 56.10 54.98 2za5 s TRP 40 Cb 0.00 -4.70 -0.06 0.00 -1.15 0.00 0.00 33.47 27.56 2za5 s TRP 40 CO 0.11 -1.88 0.80 1.41 0.02 0.00 0.00 176.95 177.42 2za5 s MET 41 N 4.61 4.54 0.25 4.98 1.75 -0.82 -4.67 119.30 129.93 2za5 s MET 41 Ca 0.48 1.14 -0.31 0.00 -1.25 0.00 0.00 55.69 55.75 2za5 s MET 41 Cb 0.01 -3.35 -0.11 0.00 2.84 0.00 0.00 34.83 34.22 2za5 s MET 41 CO -0.04 0.30 1.60 -1.58 -0.65 0.00 0.00 175.02 174.65 2za5 s HIS 42 N -0.16 2.88 0.00 4.11 2.46 -1.26 -1.05 115.29 122.27 2za5 s HIS 42 Ca 0.40 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.62 2za5 s HIS 42 Cb -0.21 -4.02 0.00 0.00 -0.13 0.00 0.00 32.58 28.21 2za5 s HIS 42 CO 0.24 -3.59 0.00 1.97 -2.47 0.00 0.00 174.74 170.90 2za5 n PHE 43 N 2.90 0.00 -3.53 3.88 -1.74 -0.74 -4.91 117.46 113.31 2za5 n PHE 43 Ca 0.11 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 56.91 2za5 n PHE 43 Cb 0.37 0.00 -0.02 0.00 1.52 0.00 0.00 39.48 41.36 2za5 n PHE 43 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2za5 s GLY 45 N -2.62 1.73 0.14 0.00 0.00 0.72 -1.22 107.32 106.07 2za5 s GLY 45 Ca 0.05 -1.99 -0.24 0.00 0.00 0.00 0.00 44.72 42.54 2za5 s GLY 45 CO -0.08 -1.45 1.07 -0.32 0.00 0.00 0.00 173.10 172.32 2za5 s GLY 46 N -4.73 -0.05 0.03 0.20 0.00 -0.89 -3.65 107.32 98.22 2za5 s GLY 46 Ca 0.65 -0.08 0.04 0.00 0.00 0.00 0.00 44.72 45.33 2za5 s GLY 46 CO 0.42 1.84 -0.12 -1.35 0.00 0.00 0.00 173.10 173.90 2za5 s SER 47 N -3.28 1.41 -0.46 1.64 1.04 -0.39 -1.38 113.70 112.28 2za5 s SER 47 Ca 0.19 -0.39 -0.28 0.00 0.48 0.00 0.00 55.95 55.95 2za5 s SER 47 Cb -0.01 -0.09 0.03 0.00 0.10 0.00 0.00 66.02 66.04 2za5 s SER 47 CO 0.03 0.03 1.09 -0.22 0.98 0.00 0.00 173.24 175.14 2za5 s LEU 48 N -0.94 3.74 0.00 2.42 2.96 0.24 -0.34 118.68 126.76 2za5 s LEU 48 Ca 0.01 0.45 0.18 0.00 -0.22 0.00 0.00 54.13 54.54 2za5 s LEU 48 Cb -0.07 -3.47 0.03 0.00 0.50 0.00 0.00 46.19 43.17 2za5 s LEU 48 CO 0.01 -1.18 0.95 2.30 -1.32 0.00 0.00 176.35 177.11 2za5 n ILE 49 N 6.67 0.00 -3.57 6.68 -5.35 -0.78 -1.34 119.36 121.67 2za5 n ILE 49 Ca 0.11 -0.35 -0.10 0.00 -0.27 0.00 0.00 62.75 62.14 2za5 n ILE 49 Cb 0.49 1.24 -0.05 0.00 -1.74 0.00 0.00 39.64 39.59 2za5 n ILE 49 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 2za5 s HIS 50 N -1.94 -0.34 0.36 4.28 5.04 -1.16 -4.76 115.29 116.78 2za5 s HIS 50 Ca 0.16 0.53 0.34 0.00 -1.54 0.00 0.00 55.06 54.55 2za5 s HIS 50 Cb 0.14 0.46 1.86 0.00 0.04 0.00 0.00 32.58 35.09 2za5 s HIS 50 CO 0.40 -0.34 2.04 -1.35 -2.34 0.00 0.00 174.74 173.15 2za5 h PRO 51 N 2.45 0.00 -0.02 2.88 0.11 -1.94 -1.62 132.00 133.86 2za5 h PRO 51 Ca -0.18 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.93 2za5 h PRO 51 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 2za5 h PRO 51 CO 0.30 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.03 2za5 n GLN 52 N -2.74 0.69 -4.48 1.05 7.27 -1.26 0.01 117.38 117.91 2za5 n GLN 52 Ca -0.02 -0.99 -0.21 0.00 0.07 0.00 0.00 57.00 55.86 2za5 n GLN 52 Cb 0.11 -1.04 -0.15 0.00 2.41 0.00 0.00 30.24 31.57 2za5 n GLN 52 CO 0.00 0.00 0.00 -1.58 0.07 0.00 0.00 177.06 175.55 2za5 s TRP 53 N -0.48 1.03 -0.08 3.69 0.52 -0.61 -0.52 118.94 122.49 2za5 s TRP 53 Ca 0.03 -0.22 0.04 0.00 0.02 0.00 0.00 56.10 55.96 2za5 s TRP 53 Cb 0.02 -0.69 -0.01 0.00 -1.15 0.00 0.00 33.47 31.64 2za5 s TRP 53 CO 0.02 -0.05 -0.19 0.08 0.02 0.00 0.00 176.95 176.83 2za5 s VAL 54 N -0.12 2.54 -0.16 4.03 1.01 -0.28 -1.86 120.40 125.56 2za5 s VAL 54 Ca 0.02 -0.88 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 2za5 s VAL 54 Cb -0.06 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.28 2za5 s VAL 54 CO -0.00 0.56 0.17 -0.22 0.00 0.00 0.00 175.10 175.61 2za5 s LEU 55 N -0.08 4.28 0.00 3.92 2.96 0.53 -1.23 118.68 129.07 2za5 s LEU 55 Ca -0.04 0.38 0.01 0.00 -0.22 0.00 0.00 54.13 54.25 2za5 s LEU 55 Cb -0.14 -2.16 -0.00 0.00 0.50 0.00 0.00 46.19 44.39 2za5 s LEU 55 CO 0.04 0.23 0.19 1.07 -1.32 0.00 0.00 176.35 176.57 2za5 n THR 56 N 3.03 0.00 -3.17 3.68 5.66 -0.47 -1.26 114.28 121.77 2za5 n THR 56 Ca -0.16 -0.89 -0.39 0.00 -3.05 0.00 0.00 64.05 59.56 2za5 n THR 56 Cb 0.53 0.51 -0.06 0.00 -1.55 0.00 0.00 70.33 69.76 2za5 n THR 56 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2za5 s ALA 57 N -2.27 3.52 0.33 1.79 0.00 -1.26 -1.24 121.76 122.64 2za5 s ALA 57 Ca 0.15 0.14 0.02 0.00 0.00 0.00 0.00 51.96 52.26 2za5 s ALA 57 Cb -0.00 -2.76 0.59 0.00 0.00 0.00 0.00 23.12 20.95 2za5 s ALA 57 CO 0.10 0.31 1.96 0.00 0.00 0.00 0.00 175.76 178.13 2za5 h ALA 58 N 4.72 1.55 0.00 0.00 0.00 -1.70 -2.00 119.26 121.82 2za5 h ALA 58 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2za5 h ALA 58 Cb 1.21 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.74 2za5 h ALA 58 CO 0.65 0.36 0.00 -2.39 0.00 0.00 0.00 179.25 177.88 2za5 n HIS 59 N -4.46 0.00 0.13 0.00 1.44 -1.26 -1.28 115.22 109.79 2za5 n HIS 59 Ca 0.10 0.00 -0.01 0.00 -2.01 0.00 0.00 57.72 55.81 2za5 n HIS 59 Cb 0.14 -0.50 0.13 0.00 0.12 0.00 0.00 29.99 29.88 2za5 n HIS 59 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 2za5 n VAL 61 N -3.60 0.76 -3.85 0.00 0.24 -0.76 -5.03 118.33 106.08 2za5 n VAL 61 Ca -0.00 -0.96 -0.05 0.00 -2.04 0.00 0.00 64.34 61.28 2za5 n VAL 61 Cb 0.67 0.22 0.02 0.00 -1.47 0.00 0.00 33.84 33.28 2za5 n VAL 61 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2za5 s GLY 62 N -1.79 0.21 0.25 7.63 0.00 -0.41 -4.68 107.32 108.54 2za5 s GLY 62 Ca 0.14 -0.49 0.26 0.00 0.00 0.00 0.00 44.72 44.62 2za5 s GLY 62 CO 0.00 1.32 1.74 -0.56 0.00 0.00 0.00 173.10 175.61 2za5 h PRO 63 N 2.00 0.00 -6.92 2.90 0.13 -1.82 -3.40 132.00 124.90 2za5 h PRO 63 Ca -0.29 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.32 2za5 h PRO 63 Cb 1.23 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.43 2za5 h PRO 63 CO 0.38 0.00 0.58 -0.51 -0.23 0.00 0.00 178.00 178.22 2za5 s ASP 64 N -4.86 6.57 -0.02 1.44 1.01 -1.26 -4.97 116.67 114.58 2za5 s ASP 64 Ca 0.10 2.56 -0.29 0.00 0.71 0.00 0.00 52.55 55.63 2za5 s ASP 64 Cb 0.11 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.38 2za5 s ASP 64 CO 0.61 -0.66 0.96 -0.69 0.21 0.00 0.00 175.17 175.60 2za5 s VAL 65 N -1.25 4.88 0.43 -1.27 1.01 -1.26 -4.97 120.40 117.96 2za5 s VAL 65 Ca 0.54 2.01 0.06 0.00 0.00 0.00 0.00 61.98 64.59 2za5 s VAL 65 Cb -0.36 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 31.67 2za5 s VAL 65 CO 0.47 0.15 0.10 -0.54 0.00 0.00 0.00 175.10 175.28 2za5 s LYS 66 N 1.09 2.11 -0.14 2.72 1.02 -1.26 -5.10 119.74 120.18 2za5 s LYS 66 Ca 0.50 -2.02 -0.29 0.00 0.02 0.00 0.00 55.97 54.18 2za5 s LYS 66 Cb -0.20 -1.79 -0.01 0.00 -0.52 0.00 0.00 37.83 35.30 2za5 s LYS 66 CO 0.26 -0.14 0.99 0.34 -0.92 0.00 0.00 175.35 175.88 2za5 s ASP 67 N -3.84 7.18 0.50 2.83 2.15 -1.26 -4.93 116.67 119.30 2za5 s ASP 67 Ca 0.34 1.45 0.16 0.00 0.43 0.00 0.00 52.55 54.93 2za5 s ASP 67 Cb 0.06 -2.54 1.22 0.00 -0.30 0.00 0.00 42.92 41.37 2za5 s ASP 67 CO 0.18 -0.48 2.11 -0.07 -0.17 0.00 0.00 175.17 176.75 2za5 h LEU 68 N 8.31 0.08 -2.68 -1.34 4.07 -1.95 -1.52 115.31 120.27 2za5 h LEU 68 Ca -0.29 -0.00 0.01 0.00 0.08 0.00 0.00 57.88 57.68 2za5 h LEU 68 Cb 1.13 -0.02 -0.00 0.00 1.08 0.00 0.00 40.66 42.85 2za5 h LEU 68 CO 0.87 0.05 0.06 0.00 -1.08 0.00 0.00 178.44 178.35 2za5 h ALA 69 N 1.92 1.25 -0.41 1.53 0.00 -1.91 -1.41 119.26 120.22 2za5 h ALA 69 Ca 0.07 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2za5 h ALA 69 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2za5 h ALA 69 CO -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.17 2za5 n ALA 70 N -2.14 2.44 -2.88 0.00 0.00 -0.57 -4.86 120.51 112.49 2za5 n ALA 70 Ca -0.02 -0.74 -0.27 0.00 0.00 0.00 0.00 53.44 52.41 2za5 n ALA 70 Cb 0.14 -0.97 -0.16 0.00 0.00 0.00 0.00 19.45 18.45 2za5 n ALA 70 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2za5 s LEU 71 N -1.05 1.94 0.15 0.00 2.96 -0.53 -1.41 118.68 120.74 2za5 s LEU 71 Ca 0.29 -0.39 0.05 0.00 -0.22 0.00 0.00 54.13 53.86 2za5 s LEU 71 Cb 0.15 -1.05 -0.04 0.00 0.50 0.00 0.00 46.19 45.75 2za5 s LEU 71 CO 0.20 0.17 -0.11 -0.13 -1.32 0.00 0.00 176.35 175.17 2za5 s ARG 72 N 0.01 1.08 -0.06 1.98 1.81 -0.68 -4.45 118.95 118.64 2za5 s ARG 72 Ca -0.04 -1.45 0.03 0.00 -1.72 0.00 0.00 55.73 52.55 2za5 s ARG 72 Cb -0.12 -0.67 -0.02 0.00 -0.45 0.00 0.00 34.95 33.68 2za5 s ARG 72 CO 0.03 0.09 -0.15 0.08 -0.68 0.00 0.00 175.30 174.67 2za5 s VAL 73 N -3.25 3.03 -0.14 3.52 1.01 0.11 -0.66 120.40 124.02 2za5 s VAL 73 Ca 0.17 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.44 2za5 s VAL 73 Cb 0.02 -2.19 0.01 0.00 0.00 0.00 0.00 36.38 34.22 2za5 s VAL 73 CO 0.01 0.59 -0.20 -1.58 0.00 0.00 0.00 175.10 173.92 2za5 s GLN 74 N -0.63 2.82 0.89 2.72 2.00 -0.23 0.97 119.66 128.19 2za5 s GLN 74 Ca 0.09 -0.78 -0.14 0.00 -2.00 0.00 0.00 55.36 52.54 2za5 s GLN 74 Cb -0.11 -2.31 0.13 0.00 0.80 0.00 0.00 33.01 31.52 2za5 s GLN 74 CO 0.01 -0.04 1.22 -0.51 -0.50 0.00 0.00 175.29 175.46 2za5 s LEU 75 N 0.90 2.43 -0.11 3.68 1.43 -1.26 -0.80 118.68 124.94 2za5 s LEU 75 Ca -0.06 0.64 -0.36 0.00 -1.03 0.00 0.00 54.13 53.32 2za5 s LEU 75 Cb -0.15 -2.94 -0.17 0.00 0.03 0.00 0.00 46.19 42.95 2za5 s LEU 75 CO -0.03 -2.34 1.05 -1.14 0.23 0.00 0.00 176.35 174.12 2za5 n ARG 76 N -3.58 0.00 -3.78 1.70 3.00 -0.84 -4.76 116.66 108.41 2za5 n ARG 76 Ca 0.10 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.82 2za5 n ARG 76 Cb 0.60 -1.31 -0.13 0.00 0.00 0.00 0.00 32.46 31.62 2za5 n ARG 76 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.63 175.63 2za5 s GLU 77 N 0.64 0.18 0.05 -0.14 2.12 -1.26 -5.00 118.70 115.28 2za5 s GLU 77 Ca 0.82 0.33 -0.19 0.00 0.36 0.00 0.00 54.97 56.30 2za5 s GLU 77 Cb -1.16 -0.02 -0.15 0.00 0.26 0.00 0.00 34.13 33.06 2za5 s GLU 77 CO 0.55 -0.09 1.29 0.37 -0.54 0.00 0.00 175.26 176.84 2za5 h GLN 78 N 6.49 0.47 -5.85 4.30 5.75 -1.95 -3.43 115.11 120.91 2za5 h GLN 78 Ca -0.33 -0.32 -0.66 0.00 -0.15 0.00 0.00 58.65 57.19 2za5 h GLN 78 Cb 1.17 0.04 -0.31 0.00 1.07 0.00 0.00 27.48 29.45 2za5 h GLN 78 CO 0.40 0.93 -0.87 -1.01 -2.65 0.00 0.00 178.83 175.62 2za5 s HIS 79 N -3.98 2.28 0.41 3.99 3.76 -1.26 -1.23 115.29 119.27 2za5 s HIS 79 Ca -0.13 -0.68 -0.26 0.00 -0.15 0.00 0.00 55.06 53.84 2za5 s HIS 79 Cb 0.06 -1.50 -0.10 0.00 1.11 0.00 0.00 32.58 32.15 2za5 s HIS 79 CO 0.80 -0.21 1.31 -0.11 -0.85 0.00 0.00 174.74 175.68 2za5 n LEU 80 N 3.00 4.19 0.00 0.89 7.94 -0.67 -3.47 117.00 128.88 2za5 n LEU 80 Ca -0.18 1.13 0.00 0.00 -1.11 0.00 0.00 56.01 55.86 2za5 n LEU 80 Cb 0.52 -1.52 0.00 0.00 0.53 0.00 0.00 43.42 42.95 2za5 n LEU 80 CO 0.25 -0.49 0.00 -1.22 -1.11 0.00 0.00 177.39 174.82 2za5 n TYR 81 N -0.09 0.00 0.07 1.96 4.01 -1.26 -4.82 117.16 117.03 2za5 n TYR 81 Ca 0.06 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.68 2za5 n TYR 81 Cb 0.39 -0.05 -0.06 0.00 -0.31 0.00 0.00 39.34 39.32 2za5 n TYR 81 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 2za5 h TYR 82 N 0.00 -0.28 -2.07 -0.72 3.20 -1.93 -3.31 116.97 111.87 2za5 h TYR 82 Ca 0.00 0.01 -0.55 0.00 3.14 0.00 0.00 58.73 61.33 2za5 h TYR 82 Cb 0.00 0.12 -0.40 0.00 1.54 0.00 0.00 36.73 37.98 2za5 h TYR 82 CO 0.00 -0.17 -0.98 0.94 -1.64 0.00 0.00 178.16 176.31 2za5 n GLN 83 N -5.23 1.45 -1.90 1.82 -0.06 -1.26 -5.10 117.38 107.09 2za5 n GLN 83 Ca -0.06 -3.75 -0.40 0.00 -2.00 0.00 0.00 57.00 50.79 2za5 n GLN 83 Cb 0.15 -1.68 0.01 0.00 -4.06 0.00 0.00 30.24 24.66 2za5 n GLN 83 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 2za5 s ASP 84 N -2.09 6.11 -0.48 1.69 1.01 -1.25 -4.98 116.67 116.69 2za5 s ASP 84 Ca 0.39 2.83 0.04 0.00 0.71 0.00 0.00 52.55 56.52 2za5 s ASP 84 Cb 0.23 -2.65 0.17 0.00 1.01 0.00 0.00 42.92 41.69 2za5 s ASP 84 CO -0.09 -1.01 0.39 0.00 0.21 0.00 0.00 175.17 174.67 2za5 n GLN 85 N 0.02 0.59 -2.10 8.23 6.02 -1.26 -5.12 117.38 123.76 2za5 n GLN 85 Ca 0.04 -3.48 -0.41 0.00 -0.01 0.00 0.00 57.00 53.14 2za5 n GLN 85 Cb 0.42 -1.79 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 2za5 n GLN 85 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2za5 s LEU 86 N -0.36 4.39 -0.15 1.08 1.43 -1.26 -4.62 118.68 119.19 2za5 s LEU 86 Ca 0.31 2.53 -0.04 0.00 -1.03 0.00 0.00 54.13 55.91 2za5 s LEU 86 Cb 0.03 -3.61 -0.03 0.00 0.03 0.00 0.00 46.19 42.61 2za5 s LEU 86 CO -0.19 -0.64 -0.03 -0.76 0.23 0.00 0.00 176.35 174.97 2za5 s LEU 87 N -0.04 3.31 0.60 1.79 1.43 0.27 -4.89 118.68 121.15 2za5 s LEU 87 Ca 0.59 -0.09 -0.16 0.00 -1.03 0.00 0.00 54.13 53.44 2za5 s LEU 87 Cb -0.40 -1.80 -0.03 0.00 0.03 0.00 0.00 46.19 43.99 2za5 s LEU 87 CO 0.39 0.19 1.07 -2.16 0.23 0.00 0.00 176.35 176.07 2za5 s PRO 88 N 0.26 3.27 -0.09 1.29 0.04 -1.26 0.09 135.00 138.60 2za5 s PRO 88 Ca -0.02 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.29 2za5 s PRO 88 Cb -0.14 -2.02 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2za5 s PRO 88 CO 0.03 -0.85 -0.13 0.08 0.04 0.00 0.00 177.00 176.16 2za5 s VAL 89 N -2.39 3.09 -0.13 -0.36 1.01 -1.26 -1.58 120.40 118.78 2za5 s VAL 89 Ca 0.64 -0.68 0.19 0.00 0.00 0.00 0.00 61.98 62.13 2za5 s VAL 89 Cb -0.17 -2.25 -0.26 0.00 0.00 0.00 0.00 36.38 33.70 2za5 s VAL 89 CO 0.36 0.56 0.36 -1.54 0.00 0.00 0.00 175.10 174.84 2za5 n SER 90 N 2.85 0.17 -3.81 3.32 3.41 0.70 -4.77 113.62 115.49 2za5 n SER 90 Ca -0.18 0.08 -0.12 0.00 -0.26 0.00 0.00 58.87 58.39 2za5 n SER 90 Cb 0.52 1.17 -0.12 0.00 -0.26 0.00 0.00 64.21 65.53 2za5 n SER 90 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2za5 s ARG 91 N -2.93 0.25 -0.19 4.33 0.52 -1.20 -5.00 118.95 114.73 2za5 s ARG 91 Ca -0.08 0.18 -0.01 0.00 -0.52 0.00 0.00 55.73 55.31 2za5 s ARG 91 Cb 0.09 0.12 0.01 0.00 0.52 0.00 0.00 34.95 35.69 2za5 s ARG 91 CO 0.85 -0.04 -0.13 0.42 0.02 0.00 0.00 175.30 176.42 2za5 s ILE 92 N -0.08 2.65 -0.27 1.52 1.01 -1.26 -0.96 121.20 123.80 2za5 s ILE 92 Ca -0.02 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.89 2za5 s ILE 92 Cb -0.02 -2.16 0.05 0.00 0.01 0.00 0.00 42.46 40.34 2za5 s ILE 92 CO 0.00 0.49 -0.06 -0.63 0.00 0.00 0.00 174.94 174.75 2za5 s ILE 93 N 1.29 2.63 -0.13 2.92 1.01 0.87 -4.99 121.20 124.81 2za5 s ILE 93 Ca 0.04 -1.40 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 2za5 s ILE 93 Cb -0.14 -2.48 -0.03 0.00 0.01 0.00 0.00 42.46 39.82 2za5 s ILE 93 CO -0.07 0.00 0.00 -0.69 0.00 0.00 0.00 174.94 174.18 2za5 s VAL 94 N 1.21 4.30 0.16 2.92 1.01 -1.26 -0.04 120.40 128.69 2za5 s VAL 94 Ca -0.05 -0.23 -0.33 0.00 0.00 0.00 0.00 61.98 61.37 2za5 s VAL 94 Cb -0.19 -2.86 -0.13 0.00 0.00 0.00 0.00 36.38 33.21 2za5 s VAL 94 CO -0.04 0.54 1.69 1.57 0.00 0.00 0.00 175.10 178.87 2za5 n HIS 95 N 2.83 2.51 0.32 5.22 -0.00 -0.89 -4.83 115.22 120.38 2za5 n HIS 95 Ca -0.18 0.10 0.21 0.00 0.46 0.00 0.00 57.72 58.31 2za5 n HIS 95 Cb 0.53 -2.63 1.03 0.00 -0.12 0.00 0.00 29.99 28.80 2za5 n HIS 95 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2za5 h PRO 96 N 6.89 0.00 0.00 1.57 0.13 -1.92 0.61 132.00 139.28 2za5 h PRO 96 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2za5 h PRO 96 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2za5 h PRO 96 CO 0.93 0.00 0.00 1.04 -0.23 0.00 0.00 178.00 179.74 2za5 n GLN 97 N -3.11 0.23 -2.64 0.86 1.13 -1.26 -4.87 117.38 107.72 2za5 n GLN 97 Ca -0.02 0.01 -0.42 0.00 -1.94 0.00 0.00 57.00 54.63 2za5 n GLN 97 Cb 0.15 -1.50 -0.03 0.00 0.11 0.00 0.00 30.24 28.97 2za5 n GLN 97 CO 0.00 0.00 0.00 0.12 -1.44 0.00 0.00 177.06 175.74 2za5 s PHE 98 N -2.76 3.62 0.00 1.08 5.36 0.20 -4.83 117.98 120.65 2za5 s PHE 98 Ca 0.22 1.61 0.00 0.00 -0.96 0.00 0.00 56.93 57.80 2za5 s PHE 98 Cb 0.19 -3.19 0.00 0.00 -0.34 0.00 0.00 43.02 39.68 2za5 s PHE 98 CO 0.48 -0.31 0.00 2.48 -1.46 0.00 0.00 175.22 176.41 2za5 n TYR 99 N 3.80 0.00 -4.05 10.12 0.18 -1.26 -4.86 117.16 121.09 2za5 n TYR 99 Ca 0.06 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.74 2za5 n TYR 99 Cb 0.50 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.35 2za5 n TYR 99 CO 0.00 0.00 0.00 0.95 -2.08 0.00 0.00 176.86 175.73 2za5 s THR 100 N 0.00 0.36 0.35 -3.48 -4.23 -1.26 -4.62 115.64 102.75 2za5 s THR 100 Ca 0.00 -1.21 0.05 0.00 -1.18 0.00 0.00 61.69 59.35 2za5 s THR 100 Cb 0.00 -0.72 0.29 0.00 1.34 0.00 0.00 72.50 73.41 2za5 s THR 100 CO 0.00 -0.56 1.94 0.00 -0.54 0.00 0.00 174.62 175.46 2za5 h ALA 101 N 4.20 1.67 -0.04 3.99 0.00 -1.95 -1.80 119.26 125.34 2za5 h ALA 101 Ca -0.34 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 2za5 h ALA 101 Cb 1.19 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2za5 h ALA 101 CO 0.47 0.21 -0.63 1.96 0.00 0.00 0.00 179.25 181.26 2za5 h GLN 102 N 0.82 0.14 0.04 0.00 7.50 -1.97 -3.00 115.11 118.63 2za5 h GLN 102 Ca 0.34 -0.10 -0.23 0.00 0.50 0.00 0.00 58.65 59.17 2za5 h GLN 102 Cb 0.28 0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 2za5 h GLN 102 CO -0.12 0.72 -1.00 0.82 -1.50 0.00 0.00 178.83 177.75 2za5 h ILE 103 N 0.10 1.49 0.00 2.54 2.04 -1.85 -3.48 117.51 118.35 2za5 h ILE 103 Ca -0.01 -2.76 0.00 0.00 1.00 0.00 0.00 64.86 63.09 2za5 h ILE 103 Cb 1.13 2.61 0.00 0.00 -0.74 0.00 0.00 36.82 39.82 2za5 h ILE 103 CO 0.09 0.81 0.00 0.61 0.00 0.00 0.00 178.15 179.66 2za5 n GLY 104 N 1.11 0.30 2.57 5.37 0.00 -0.72 -5.01 105.19 108.81 2za5 n GLY 104 Ca -0.05 -2.30 -0.21 0.00 0.00 0.00 0.00 46.02 43.46 2za5 n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 n ALA 105 N -0.98 -0.73 -2.63 4.61 0.00 -1.26 -4.48 120.51 115.04 2za5 n ALA 105 Ca 0.00 0.19 -0.43 0.00 0.00 0.00 0.00 53.44 53.20 2za5 n ALA 105 Cb 0.00 -2.56 0.00 0.00 0.00 0.00 0.00 19.45 16.89 2za5 n ALA 105 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2za5 n ASP 106 N -2.13 4.97 -3.61 0.00 2.03 -1.26 -4.34 116.55 112.21 2za5 n ASP 106 Ca -0.20 -2.93 -0.15 0.00 0.52 0.00 0.00 54.79 52.03 2za5 n ASP 106 Cb 0.66 -1.71 -0.07 0.00 -0.72 0.00 0.00 41.12 39.28 2za5 n ASP 106 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2za5 s ILE 107 N 3.67 0.00 0.18 5.18 2.07 -1.26 -3.79 121.20 127.26 2za5 s ILE 107 Ca 0.52 -0.01 -0.14 0.00 -1.41 0.00 0.00 60.65 59.61 2za5 s ILE 107 Cb 0.03 -0.98 0.01 0.00 0.13 0.00 0.00 42.46 41.66 2za5 s ILE 107 CO 0.06 -0.00 0.44 0.00 -1.91 0.00 0.00 174.94 173.52 2za5 s ALA 108 N 0.01 -0.59 -0.02 1.50 0.00 -0.37 -2.09 121.76 120.19 2za5 s ALA 108 Ca -0.03 -0.47 0.03 0.00 0.00 0.00 0.00 51.96 51.50 2za5 s ALA 108 Cb -0.04 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.93 2za5 s ALA 108 CO 0.03 -0.75 -0.12 -0.51 0.00 0.00 0.00 175.76 174.41 2za5 s LEU 109 N -2.91 1.89 -0.15 0.00 1.43 0.94 -1.36 118.68 118.52 2za5 s LEU 109 Ca 0.12 -0.24 -0.01 0.00 -1.03 0.00 0.00 54.13 52.97 2za5 s LEU 109 Cb 0.01 -0.68 -0.01 0.00 0.03 0.00 0.00 46.19 45.53 2za5 s LEU 109 CO -0.02 0.12 -0.12 -0.76 0.23 0.00 0.00 176.35 175.80 2za5 s LEU 110 N 0.00 2.73 -0.22 1.79 1.43 -0.36 -0.09 118.68 123.95 2za5 s LEU 110 Ca -0.01 -0.35 -0.18 0.00 -1.03 0.00 0.00 54.13 52.57 2za5 s LEU 110 Cb -0.08 -1.63 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2za5 s LEU 110 CO 0.01 0.12 0.48 -0.70 0.23 0.00 0.00 176.35 176.49 2za5 s GLU 111 N 0.60 4.14 0.54 1.70 2.12 -0.14 -1.13 118.70 126.54 2za5 s GLU 111 Ca -0.07 0.32 -0.19 0.00 0.36 0.00 0.00 54.97 55.40 2za5 s GLU 111 Cb -0.15 -3.59 -0.06 0.00 0.26 0.00 0.00 34.13 30.59 2za5 s GLU 111 CO 0.03 -0.19 1.07 -0.51 -0.54 0.00 0.00 175.26 175.12 2za5 s LEU 112 N 1.78 3.70 0.28 2.70 1.43 0.32 -0.21 118.68 128.68 2za5 s LEU 112 Ca 0.22 1.97 -0.02 0.00 -1.03 0.00 0.00 54.13 55.27 2za5 s LEU 112 Cb -0.15 -4.56 0.41 0.00 0.03 0.00 0.00 46.19 41.92 2za5 s LEU 112 CO 0.09 -1.05 1.86 -0.08 0.23 0.00 0.00 176.35 177.40 2za5 h GLU 113 N 1.08 0.90 -5.84 1.70 4.57 -1.59 -3.41 114.58 112.00 2za5 h GLU 113 Ca -0.49 -0.14 -0.51 0.00 -1.18 0.00 0.00 59.36 57.04 2za5 h GLU 113 Cb 1.23 -0.16 -0.23 0.00 -0.16 0.00 0.00 28.75 29.44 2za5 h GLU 113 CO 0.58 0.74 -0.81 -1.21 -1.18 0.00 0.00 179.01 177.13 2za5 s GLU 114 N -5.41 1.06 0.57 1.92 0.41 -1.26 -4.96 118.70 111.02 2za5 s GLU 114 Ca -0.10 -1.02 -0.21 0.00 -0.41 0.00 0.00 54.97 53.22 2za5 s GLU 114 Cb 0.16 -1.20 -0.04 0.00 -1.78 0.00 0.00 34.13 31.27 2za5 s GLU 114 CO 0.80 0.28 1.34 -1.25 -0.49 0.00 0.00 175.26 175.94 2za5 s PRO 115 N -1.66 3.01 0.28 0.39 0.04 -1.26 -4.77 135.00 131.03 2za5 s PRO 115 Ca 0.04 2.18 -0.27 0.00 0.04 0.00 0.00 61.00 62.99 2za5 s PRO 115 Cb -0.10 -2.16 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 2za5 s PRO 115 CO 0.03 -1.28 0.91 0.08 0.04 0.00 0.00 177.00 176.79 2za5 s VAL 116 N -1.33 4.21 -0.73 -0.36 1.01 0.10 -4.96 120.40 118.34 2za5 s VAL 116 Ca 0.74 1.84 -0.25 0.00 0.00 0.00 0.00 61.98 64.32 2za5 s VAL 116 Cb -0.39 -4.09 0.05 0.00 0.00 0.00 0.00 36.38 31.94 2za5 s VAL 116 CO 0.45 0.27 1.16 -0.54 0.00 0.00 0.00 175.10 176.45 2za5 s LYS 117 N -1.74 3.19 0.21 2.72 1.02 -1.26 -4.86 119.74 119.02 2za5 s LYS 117 Ca 0.46 -0.57 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 2za5 s LYS 117 Cb -0.21 -4.29 -0.08 0.00 -0.52 0.00 0.00 37.83 32.73 2za5 s LYS 117 CO 0.26 -2.01 0.96 0.54 -0.92 0.00 0.00 175.35 174.17 2za5 s VAL 118 N 4.95 4.14 0.00 3.17 0.11 -1.26 -5.03 120.40 126.48 2za5 s VAL 118 Ca 0.30 2.05 0.00 0.00 -2.93 0.00 0.00 61.98 61.41 2za5 s VAL 118 Cb -0.11 -4.31 0.00 0.00 -1.53 0.00 0.00 36.38 30.43 2za5 s VAL 118 CO 0.11 0.44 0.00 -1.54 -3.33 0.00 0.00 175.10 170.78 2za5 n SER 119 N 1.81 0.00 -0.05 3.54 3.41 0.81 -5.01 113.62 118.12 2za5 n SER 119 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 2za5 n SER 119 Cb 0.47 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 64.28 2za5 n SER 119 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2za5 n SER 120 N 0.00 1.16 -0.39 4.04 2.88 -1.26 -4.19 113.62 115.86 2za5 n SER 120 Ca 0.00 0.17 0.11 0.00 -1.33 0.00 0.00 58.87 57.82 2za5 n SER 120 Cb 0.00 -0.06 0.04 0.00 -0.75 0.00 0.00 64.21 63.44 2za5 n SER 120 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 2za5 n HIS 121 N -3.12 0.00 -3.62 0.66 8.25 -1.26 -4.75 115.22 111.37 2za5 n HIS 121 Ca -0.29 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.89 2za5 n HIS 121 Cb 1.07 -0.02 -0.16 0.00 1.12 0.00 0.00 29.99 32.00 2za5 n HIS 121 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2za5 s VAL 122 N -2.56 0.18 0.32 1.59 1.01 -1.26 -4.47 120.40 115.21 2za5 s VAL 122 Ca 0.18 -0.66 -0.10 0.00 0.00 0.00 0.00 61.98 61.40 2za5 s VAL 122 Cb 0.18 -0.99 0.01 0.00 0.00 0.00 0.00 36.38 35.59 2za5 s VAL 122 CO 0.61 -0.50 0.57 -1.38 0.00 0.00 0.00 175.10 174.39 2za5 s HIS 123 N 1.99 0.52 0.56 5.22 -0.00 -1.08 -0.13 115.29 122.37 2za5 s HIS 123 Ca 0.05 -0.92 -0.18 0.00 -0.00 0.00 0.00 55.06 54.01 2za5 s HIS 123 Cb -0.16 0.29 -0.05 0.00 -0.00 0.00 0.00 32.58 32.65 2za5 s HIS 123 CO -0.22 -1.21 1.07 0.95 -0.00 0.00 0.00 174.74 175.33 2za5 s THR 124 N -3.22 3.61 0.21 -5.38 -4.23 -1.26 -2.83 115.64 102.55 2za5 s THR 124 Ca 0.23 0.88 -0.06 0.00 -1.18 0.00 0.00 61.69 61.55 2za5 s THR 124 Cb -0.02 -3.35 -0.06 0.00 1.34 0.00 0.00 72.50 70.41 2za5 s THR 124 CO 0.14 -0.34 0.48 0.54 -0.54 0.00 0.00 174.62 174.90 2za5 s VAL 125 N -2.17 5.05 -0.05 2.29 0.11 -0.45 -4.84 120.40 120.35 2za5 s VAL 125 Ca 0.67 0.18 -0.22 0.00 -2.93 0.00 0.00 61.98 59.68 2za5 s VAL 125 Cb -0.18 -3.65 -0.04 0.00 -1.53 0.00 0.00 36.38 30.97 2za5 s VAL 125 CO 0.30 -0.10 0.64 -0.89 -3.33 0.00 0.00 175.10 171.72 2za5 s THR 126 N -1.83 5.00 0.49 5.04 2.01 -1.25 -4.69 115.64 120.41 2za5 s THR 126 Ca 0.44 1.32 -0.18 0.00 0.31 0.00 0.00 61.69 63.58 2za5 s THR 126 Cb -0.11 -3.98 -0.09 0.00 0.01 0.00 0.00 72.50 68.33 2za5 s THR 126 CO 0.25 0.32 0.98 -0.76 -0.69 0.00 0.00 174.62 174.72 2za5 s LEU 127 N 0.39 3.73 0.65 4.42 1.43 -1.26 -1.66 118.68 126.38 2za5 s LEU 127 Ca 0.34 1.63 -0.15 0.00 -1.03 0.00 0.00 54.13 54.91 2za5 s LEU 127 Cb -0.18 -4.52 -0.01 0.00 0.03 0.00 0.00 46.19 41.52 2za5 s LEU 127 CO 0.17 -0.54 1.11 -2.16 0.23 0.00 0.00 176.35 175.16 2za5 s PRO 128 N -3.76 2.86 0.75 1.29 0.04 -1.26 -4.85 135.00 130.06 2za5 s PRO 128 Ca 0.60 1.40 -0.13 0.00 0.04 0.00 0.00 61.00 62.91 2za5 s PRO 128 Cb -0.10 -1.96 0.05 0.00 0.04 0.00 0.00 34.50 32.53 2za5 s PRO 128 CO 0.25 -1.21 1.15 -1.25 0.04 0.00 0.00 177.00 175.99 2za5 s PRO 129 N -4.03 2.17 0.54 0.56 0.04 -1.26 -4.91 135.00 128.11 2za5 s PRO 129 Ca 0.67 1.52 0.32 0.00 0.04 0.00 0.00 61.00 63.55 2za5 s PRO 129 Cb -0.21 -1.86 1.49 0.00 0.04 0.00 0.00 34.50 33.96 2za5 s PRO 129 CO 0.40 -1.77 1.88 0.00 0.04 0.00 0.00 177.00 177.56 2za5 h ALA 130 N -0.60 2.83 -0.16 8.56 0.00 -1.95 -2.11 119.26 125.84 2za5 h ALA 130 Ca -0.46 -0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.25 2za5 h ALA 130 Cb 1.27 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2za5 h ALA 130 CO 0.50 -1.11 -0.60 0.66 0.00 0.00 0.00 179.25 178.69 2za5 h SER 131 N 0.00 0.62 -3.21 0.00 4.64 -1.97 -3.49 113.55 110.14 2za5 h SER 131 Ca 0.42 -0.35 -0.57 0.00 -0.47 0.00 0.00 61.79 60.82 2za5 h SER 131 Cb 1.73 -0.18 0.12 0.00 -0.31 0.00 0.00 62.40 63.76 2za5 h SER 131 CO -0.00 1.07 0.35 1.21 -0.87 0.00 0.00 176.83 178.59 2za5 n GLU 132 N -3.93 1.73 -0.07 4.77 4.07 -0.80 -4.97 120.64 121.44 2za5 n GLU 132 Ca -0.04 0.61 -0.09 0.00 -0.06 0.00 0.00 57.16 57.58 2za5 n GLU 132 Cb 0.63 -2.20 -0.06 0.00 -0.06 0.00 0.00 31.44 29.75 2za5 n GLU 132 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 2za5 n THR 133 N -0.12 0.76 -2.94 6.31 -2.24 -1.26 -4.95 114.28 109.84 2za5 n THR 133 Ca 0.07 -0.30 -0.09 0.00 -2.27 0.00 0.00 64.05 61.47 2za5 n THR 133 Cb 0.38 -0.97 0.01 0.00 -2.10 0.00 0.00 70.33 67.65 2za5 n THR 133 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 2za5 n PHE 134 N -2.88 -3.33 -1.79 4.78 3.72 -1.26 -4.97 117.46 111.73 2za5 n PHE 134 Ca -0.23 1.33 -0.35 0.00 -0.05 0.00 0.00 57.45 58.15 2za5 n PHE 134 Cb 0.75 -3.95 0.05 0.00 -0.94 0.00 0.00 39.48 35.40 2za5 n PHE 134 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2za5 s PRO 135 N -2.71 2.70 -0.19 -1.08 0.04 -1.26 -4.92 135.00 127.57 2za5 s PRO 135 Ca 0.21 1.70 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2za5 s PRO 135 Cb -0.05 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.51 2za5 s PRO 135 CO 0.77 -1.39 2.18 -0.35 0.04 0.00 0.00 177.00 178.25 2za5 n PRO 136 N -2.10 2.02 -0.38 0.56 -0.04 -1.26 -3.27 135.00 130.52 2za5 n PRO 136 Ca 0.13 0.59 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 2za5 n PRO 136 Cb 0.50 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.84 2za5 n PRO 136 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2za5 n GLY 137 N 5.63 0.80 3.27 0.55 0.00 -1.09 -4.96 105.19 109.38 2za5 n GLY 137 Ca 0.29 -0.66 -0.15 0.00 0.00 0.00 0.00 46.02 45.51 2za5 n GLY 137 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 2za5 s MET 138 N -2.26 1.14 -0.76 1.61 0.00 -1.20 -4.99 119.30 112.85 2za5 s MET 138 Ca 0.00 -1.54 -0.26 0.00 0.00 0.00 0.00 55.69 53.90 2za5 s MET 138 Cb 0.00 -0.47 0.04 0.00 0.00 0.00 0.00 34.83 34.40 2za5 s MET 138 CO 0.00 -0.05 1.24 -2.14 0.00 0.00 0.00 175.02 174.07 2za5 s PRO 139 N -3.84 3.22 0.03 4.11 0.02 -1.26 -4.47 135.00 132.80 2za5 s PRO 139 Ca 0.22 -0.46 0.07 0.00 0.02 0.00 0.00 61.00 60.86 2za5 s PRO 139 Cb 0.05 -4.31 -0.02 0.00 0.02 0.00 0.00 34.50 30.23 2za5 s PRO 139 CO 0.04 -2.09 -0.22 0.00 -0.33 0.00 0.00 177.00 174.40 2za5 s TRP 141 N -0.71 1.76 0.03 0.00 0.52 0.15 -0.39 118.94 120.30 2za5 s TRP 141 Ca 0.08 -0.34 0.09 0.00 0.02 0.00 0.00 56.10 55.95 2za5 s TRP 141 Cb -0.09 -1.11 -0.03 0.00 -1.15 0.00 0.00 33.47 31.09 2za5 s TRP 141 CO 0.01 0.00 -0.26 0.54 0.02 0.00 0.00 176.95 177.26 2za5 s VAL 142 N -0.55 2.07 0.10 4.03 0.11 -0.70 -0.24 120.40 125.22 2za5 s VAL 142 Ca 0.07 -1.31 0.03 0.00 -2.93 0.00 0.00 61.98 57.85 2za5 s VAL 142 Cb -0.08 -1.76 -0.04 0.00 -1.53 0.00 0.00 36.38 32.97 2za5 s VAL 142 CO -0.00 0.40 -0.09 0.42 -3.33 0.00 0.00 175.10 172.50 2za5 s THR 143 N -0.76 0.85 -4.56 5.04 -4.23 -1.20 -1.79 115.64 108.99 2za5 s THR 143 Ca 0.11 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.88 2za5 s THR 143 Cb -0.10 -1.45 0.00 0.00 1.34 0.00 0.00 72.50 72.29 2za5 s THR 143 CO 0.01 -0.67 0.00 0.61 -0.54 0.00 0.00 174.62 174.04 2za5 n GLY 144 N 0.36 -2.64 1.07 3.99 0.00 -0.65 -4.50 105.19 102.81 2za5 n GLY 144 Ca -0.15 -1.29 0.02 0.00 0.00 0.00 0.00 46.02 44.61 2za5 n GLY 144 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2za5 n TRP 145 N 0.10 1.12 -1.20 1.61 8.01 -1.26 -1.57 117.44 124.25 2za5 n TRP 145 Ca 0.00 -1.19 -0.10 0.00 -1.31 0.00 0.00 57.50 54.89 2za5 n TRP 145 Cb 0.00 -0.42 0.07 0.00 -2.01 0.00 0.00 31.31 28.96 2za5 n TRP 145 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 2za5 n GLY 146 N -0.77 -1.51 3.76 6.99 0.00 -1.25 -4.72 105.19 107.69 2za5 n GLY 146 Ca 0.28 -1.64 -0.38 0.00 0.00 0.00 0.00 46.02 44.27 2za5 n GLY 146 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2za5 s ASP 147 N -2.65 5.56 0.00 1.61 1.01 0.10 -3.58 116.67 118.72 2za5 s ASP 147 Ca 0.26 2.70 0.25 0.00 0.71 0.00 0.00 52.55 56.48 2za5 s ASP 147 Cb -0.01 -2.63 0.56 0.00 1.01 0.00 0.00 42.92 41.85 2za5 s ASP 147 CO 0.18 -1.37 1.44 1.33 0.21 0.00 0.00 175.17 176.97 2za5 n VAL 148 N -0.76 0.00 -3.83 -1.27 0.24 0.44 -0.81 118.33 112.34 2za5 n VAL 148 Ca 0.09 -0.15 -0.04 0.00 -2.04 0.00 0.00 64.34 62.19 2za5 n VAL 148 Cb 0.45 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.43 2za5 n VAL 148 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2za5 s ASP 149 N -2.52 -0.06 -0.15 -1.34 -1.08 -1.21 -4.35 116.67 105.96 2za5 s ASP 149 Ca 0.22 -0.65 -0.36 0.00 -0.52 0.00 0.00 52.55 51.24 2za5 s ASP 149 Cb 0.19 0.55 -0.12 0.00 -1.46 0.00 0.00 42.92 42.08 2za5 s ASP 149 CO 0.54 -1.07 1.87 0.59 0.52 0.00 0.00 175.17 177.62 2za5 n ASN 150 N -0.98 3.14 -2.08 -0.34 3.02 -1.26 -1.62 115.26 115.13 2za5 n ASN 150 Ca -0.05 0.96 -0.20 0.00 -0.03 0.00 0.00 54.58 55.26 2za5 n ASN 150 Cb 0.60 -1.31 -0.03 0.00 -0.61 0.00 0.00 39.78 38.42 2za5 n ASN 150 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2za5 n ASP 151 N 6.62 -5.68 -3.91 6.41 10.43 -1.26 -4.98 116.55 124.18 2za5 n ASP 151 Ca 0.25 0.14 -0.30 0.00 2.57 0.00 0.00 54.79 57.44 2za5 n ASP 151 Cb 0.25 -4.78 -0.15 0.00 1.84 0.00 0.00 41.12 38.28 2za5 n ASP 151 CO 0.00 0.00 0.00 -1.61 -1.07 0.00 0.00 177.20 174.52 2za5 s GLU 152 N -4.62 1.42 0.55 -1.24 2.02 -0.64 -5.09 118.70 111.11 2za5 s GLU 152 Ca 0.00 -1.07 -0.20 0.00 0.02 0.00 0.00 54.97 53.72 2za5 s GLU 152 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 2za5 s GLU 152 CO 0.00 -0.69 1.21 1.03 0.02 0.00 0.00 175.26 176.83 2za5 s ARG 153 N 1.40 3.21 0.14 1.61 1.81 -1.26 -0.42 118.95 125.43 2za5 s ARG 153 Ca -0.02 1.86 -0.31 0.00 -1.72 0.00 0.00 55.73 55.54 2za5 s ARG 153 Cb -0.19 -2.09 -0.10 0.00 -0.45 0.00 0.00 34.95 32.12 2za5 s ARG 153 CO -0.09 -1.02 1.66 -1.17 -0.68 0.00 0.00 175.30 174.00 2za5 s LEU 154 N -3.72 4.37 0.56 2.53 2.96 -1.26 -4.51 118.68 119.61 2za5 s LEU 154 Ca 0.73 2.64 -0.15 0.00 -0.22 0.00 0.00 54.13 57.13 2za5 s LEU 154 Cb -0.31 -3.58 -0.06 0.00 0.50 0.00 0.00 46.19 42.74 2za5 s LEU 154 CO 0.35 -0.89 1.02 -2.84 -1.32 0.00 0.00 176.35 172.66 2za5 s PRO 155 N 1.82 3.67 0.65 0.98 0.02 -1.26 -4.81 135.00 136.06 2za5 s PRO 155 Ca 0.74 0.98 -0.17 0.00 0.02 0.00 0.00 61.00 62.57 2za5 s PRO 155 Cb -0.44 -2.09 -0.04 0.00 0.02 0.00 0.00 34.50 31.95 2za5 s PRO 155 CO 0.32 -0.51 0.79 -2.30 -0.33 0.00 0.00 177.00 174.97 2za5 n PRO 156 N -1.99 0.60 -0.32 5.54 -0.02 -1.26 -1.03 135.00 136.51 2za5 n PRO 156 Ca 0.07 0.25 -0.04 0.00 -2.02 0.00 0.00 63.50 61.76 2za5 n PRO 156 Cb 0.54 -2.02 0.07 0.00 -0.02 0.00 0.00 33.50 32.07 2za5 n PRO 156 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2za5 n PRO 157 N -0.97 1.61 -3.15 0.52 -0.04 -1.26 -4.94 135.00 126.76 2za5 n PRO 157 Ca 0.13 -0.88 -0.14 0.00 -0.04 0.00 0.00 63.50 62.57 2za5 n PRO 157 Cb 0.48 -1.46 0.07 0.00 -0.04 0.00 0.00 33.50 32.55 2za5 n PRO 157 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 2za5 n PHE 158 N 0.08 -2.19 -2.45 0.54 3.72 -0.20 -3.77 117.46 113.18 2za5 n PHE 158 Ca 0.14 0.80 -0.35 0.00 -0.05 0.00 0.00 57.45 57.99 2za5 n PHE 158 Cb 0.74 -4.19 -0.03 0.00 -0.94 0.00 0.00 39.48 35.06 2za5 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2za5 s PRO 159 N -4.51 3.81 0.25 -1.08 0.04 -1.26 -1.67 135.00 130.58 2za5 s PRO 159 Ca 0.31 1.50 -0.30 0.00 0.04 0.00 0.00 61.00 62.56 2za5 s PRO 159 Cb -0.04 -2.24 -0.10 0.00 0.04 0.00 0.00 34.50 32.16 2za5 s PRO 159 CO 0.67 -0.45 1.51 -1.17 0.04 0.00 0.00 177.00 177.60 2za5 s LEU 160 N -3.26 4.37 0.17 -3.56 2.96 -0.36 -4.81 118.68 114.19 2za5 s LEU 160 Ca 0.65 2.74 0.08 0.00 -0.22 0.00 0.00 54.13 57.38 2za5 s LEU 160 Cb -0.21 -3.62 -0.04 0.00 0.50 0.00 0.00 46.19 42.82 2za5 s LEU 160 CO 0.25 -0.79 -0.03 -0.54 -1.32 0.00 0.00 176.35 173.93 2za5 s LYS 161 N -0.14 2.32 0.03 1.98 1.02 -0.61 -0.88 119.74 123.46 2za5 s LYS 161 Ca 0.62 -1.13 0.02 0.00 0.02 0.00 0.00 55.97 55.50 2za5 s LYS 161 Cb -0.44 -2.31 -0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2za5 s LYS 161 CO 0.42 0.45 -0.07 1.14 -0.92 0.00 0.00 175.35 176.38 2za5 s GLN 162 N -2.88 0.48 -0.17 1.68 -2.07 0.14 -1.64 119.66 115.20 2za5 s GLN 162 Ca 0.27 -0.62 -0.13 0.00 -1.82 0.00 0.00 55.36 53.06 2za5 s GLN 162 Cb -0.09 -0.29 0.05 0.00 -1.09 0.00 0.00 33.01 31.59 2za5 s GLN 162 CO 0.18 0.06 0.44 0.54 -1.32 0.00 0.00 175.29 175.18 2za5 s VAL 163 N -1.10 -0.01 -0.08 3.63 0.11 -0.74 -1.24 120.40 120.97 2za5 s VAL 163 Ca -0.08 0.03 -0.30 0.00 -2.93 0.00 0.00 61.98 58.71 2za5 s VAL 163 Cb -0.08 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.12 2za5 s VAL 163 CO 0.00 0.01 1.00 -0.75 -3.33 0.00 0.00 175.10 172.04 2za5 s LYS 164 N 0.69 4.46 -0.03 1.54 2.20 -1.26 -1.72 119.74 125.61 2za5 s LYS 164 Ca -0.04 1.40 0.06 0.00 -0.36 0.00 0.00 55.97 57.03 2za5 s LYS 164 Cb -0.05 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.74 2za5 s LYS 164 CO -0.05 -0.24 -0.20 0.14 -0.36 0.00 0.00 175.35 174.64 2za5 s VAL 165 N 1.74 1.64 0.08 4.02 -7.23 0.47 -4.88 120.40 116.24 2za5 s VAL 165 Ca 0.49 -0.86 -0.30 0.00 -1.81 0.00 0.00 61.98 59.50 2za5 s VAL 165 Cb -0.19 -1.38 -0.06 0.00 0.56 0.00 0.00 36.38 35.31 2za5 s VAL 165 CO 0.21 0.46 1.12 -2.16 -0.31 0.00 0.00 175.10 174.42 2za5 s PRO 166 N -0.25 4.51 0.40 4.82 0.04 -1.26 -3.94 135.00 139.32 2za5 s PRO 166 Ca 0.02 1.67 -0.26 0.00 0.04 0.00 0.00 61.00 62.47 2za5 s PRO 166 Cb -0.10 -3.35 -0.09 0.00 0.04 0.00 0.00 34.50 30.99 2za5 s PRO 166 CO 0.01 -0.12 1.34 0.42 0.04 0.00 0.00 177.00 178.70 2za5 s ILE 167 N 0.70 2.47 -0.12 0.56 -1.09 -1.26 -1.40 121.20 121.05 2za5 s ILE 167 Ca 0.55 0.43 0.01 0.00 -2.23 0.00 0.00 60.65 59.41 2za5 s ILE 167 Cb -0.27 -3.26 0.02 0.00 -1.58 0.00 0.00 42.46 37.36 2za5 s ILE 167 CO 0.30 0.07 -0.15 -0.32 -1.23 0.00 0.00 174.94 173.62 2za5 s MET 168 N -2.22 2.23 0.69 2.79 -2.45 -0.14 -2.67 119.30 117.52 2za5 s MET 168 Ca 0.56 -0.55 -0.17 0.00 -1.25 0.00 0.00 55.69 54.28 2za5 s MET 168 Cb -0.40 -1.93 0.01 0.00 1.25 0.00 0.00 34.83 33.76 2za5 s MET 168 CO 0.52 -0.11 1.25 -1.83 1.05 0.00 0.00 175.02 175.90 2za5 s GLU 169 N 1.12 2.35 0.20 4.11 4.04 -1.26 -3.75 118.70 125.50 2za5 s GLU 169 Ca -0.04 1.92 -0.11 0.00 0.04 0.00 0.00 54.97 56.78 2za5 s GLU 169 Cb -0.14 -1.84 0.22 0.00 0.02 0.00 0.00 34.13 32.39 2za5 s GLU 169 CO -0.04 -1.71 1.75 -0.91 -1.84 0.00 0.00 175.26 172.51 2za5 h ASN 170 N 0.15 0.21 -0.54 0.83 -0.26 -1.94 -0.68 115.58 113.36 2za5 h ASN 170 Ca -0.49 0.07 -0.05 0.00 -0.56 0.00 0.00 56.30 55.27 2za5 h ASN 170 Cb 1.32 0.05 -0.02 0.00 -1.06 0.00 0.00 38.32 38.60 2za5 h ASN 170 CO 0.51 0.14 0.16 0.45 -1.06 0.00 0.00 177.43 177.63 2za5 h HIS 171 N 0.39 0.88 -0.67 1.19 3.86 -1.93 0.40 115.15 119.28 2za5 h HIS 171 Ca 0.27 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.37 2za5 h HIS 171 Cb 0.31 -0.25 -0.03 0.00 1.06 0.00 0.00 27.41 28.49 2za5 h HIS 171 CO -0.16 0.76 0.33 0.82 0.86 0.00 0.00 177.93 180.54 2za5 h ILE 172 N 0.75 1.22 -0.39 2.45 1.08 -1.83 -1.56 117.51 119.23 2za5 h ILE 172 Ca 0.17 -0.61 -0.12 0.00 -0.39 0.00 0.00 64.86 63.92 2za5 h ILE 172 Cb 0.30 0.39 -0.01 0.00 -3.07 0.00 0.00 36.82 34.43 2za5 h ILE 172 CO -0.00 0.25 -0.22 0.00 -0.69 0.00 0.00 178.15 177.49 2za5 h ASP 174 N 0.64 1.13 -0.01 0.00 3.58 -0.06 -1.93 116.42 119.79 2za5 h ASP 174 Ca 0.08 -0.04 -0.12 0.00 0.42 0.00 0.00 57.03 57.38 2za5 h ASP 174 Cb 0.78 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.54 2za5 h ASP 174 CO 0.06 0.83 -0.35 0.00 -2.88 0.00 0.00 179.24 176.91 2za5 h ALA 175 N 1.37 0.98 -0.68 -0.78 0.00 -0.96 -2.63 119.26 116.56 2za5 h ALA 175 Ca 0.36 -0.40 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2za5 h ALA 175 Cb -0.13 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 2za5 h ALA 175 CO -0.07 0.61 0.42 0.87 0.00 0.00 0.00 179.25 181.08 2za5 h LYS 176 N 0.41 0.81 0.00 0.00 1.79 -0.56 -2.12 116.57 116.90 2za5 h LYS 176 Ca 0.05 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2za5 h LYS 176 Cb 0.81 -0.18 0.00 0.00 -1.58 0.00 0.00 32.23 31.27 2za5 h LYS 176 CO 0.07 0.53 0.00 1.88 -1.08 0.00 0.00 179.45 180.85 2za5 h TYR 177 N 0.83 0.00 0.00 -1.35 -1.99 -1.02 -1.96 116.97 111.47 2za5 h TYR 177 Ca 0.27 0.00 0.00 0.00 2.00 0.00 0.00 58.73 61.00 2za5 h TYR 177 Cb 0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.74 2za5 h TYR 177 CO -0.04 0.00 -0.51 0.45 -0.00 0.00 0.00 178.16 178.05 2za5 h HIS 178 N 0.00 0.00 -2.78 4.88 3.86 -1.09 -3.43 115.15 116.59 2za5 h HIS 178 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 2za5 h HIS 178 Cb 0.29 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.74 2za5 h HIS 178 CO 0.00 0.00 0.96 -0.51 0.86 0.00 0.00 177.93 179.24 2za5 s LEU 179 N -4.32 4.27 -0.04 2.43 1.43 -0.74 -2.58 118.68 119.13 2za5 s LEU 179 Ca 0.07 2.02 0.00 0.00 -1.03 0.00 0.00 54.13 55.18 2za5 s LEU 179 Cb 0.13 -3.54 0.00 0.00 0.03 0.00 0.00 46.19 42.81 2za5 s LEU 179 CO 0.70 -0.82 0.00 0.61 0.23 0.00 0.00 176.35 177.07 2za5 n GLY 180 N 3.84 0.44 3.37 -3.19 0.00 -1.26 -5.03 105.19 103.37 2za5 n GLY 180 Ca 0.15 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.24 2za5 n GLY 180 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 s ALA 181 N -2.01 2.20 -0.64 4.61 0.00 -1.07 -5.05 121.76 119.80 2za5 s ALA 181 Ca 0.00 -1.69 0.25 0.00 0.00 0.00 0.00 51.96 50.52 2za5 s ALA 181 Cb 0.00 -0.15 0.65 0.00 0.00 0.00 0.00 23.12 23.62 2za5 s ALA 181 CO 0.00 0.15 1.70 1.88 0.00 0.00 0.00 175.76 179.49 2za5 h TYR 182 N 2.61 0.00 -2.74 0.00 0.05 -1.95 -3.48 116.97 111.46 2za5 h TYR 182 Ca -0.39 0.00 -0.52 0.00 0.05 0.00 0.00 58.73 57.87 2za5 h TYR 182 Cb 1.23 0.00 0.06 0.00 1.01 0.00 0.00 36.73 39.03 2za5 h TYR 182 CO 0.73 0.00 0.98 0.99 -1.05 0.00 0.00 178.16 179.81 2za5 s THR 183 N -3.14 2.14 0.25 -2.88 2.01 -1.26 -4.91 115.64 107.85 2za5 s THR 183 Ca 0.09 0.10 -0.30 0.00 0.31 0.00 0.00 61.69 61.90 2za5 s THR 183 Cb 0.10 -3.07 -0.14 0.00 0.01 0.00 0.00 72.50 69.40 2za5 s THR 183 CO 0.62 0.01 1.14 0.61 -0.69 0.00 0.00 174.62 176.31 2za5 n GLY 184 N 3.82 0.05 0.33 4.40 0.00 -1.26 -4.83 105.19 107.70 2za5 n GLY 184 Ca 0.15 0.42 0.22 0.00 0.00 0.00 0.00 46.02 46.81 2za5 n GLY 184 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2za5 h ASP 185 N 2.82 0.00 0.96 1.61 3.32 -1.97 0.29 116.42 123.45 2za5 h ASP 185 Ca -0.42 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.63 2za5 h ASP 185 Cb 1.33 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.88 2za5 h ASP 185 CO 0.66 0.00 -0.46 0.47 -1.72 0.00 0.00 179.24 178.19 2za5 n ASP 186 N -3.03 0.68 -4.68 6.45 8.00 -1.26 -4.79 116.55 117.92 2za5 n ASP 186 Ca -0.03 0.20 -0.43 0.00 0.71 0.00 0.00 54.79 55.24 2za5 n ASP 186 Cb 0.09 -0.05 -0.02 0.00 -0.02 0.00 0.00 41.12 41.11 2za5 n ASP 186 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 2za5 s VAL 187 N -3.13 4.69 -0.24 2.53 1.01 0.09 -5.00 120.40 120.35 2za5 s VAL 187 Ca 0.08 1.98 -0.23 0.00 0.00 0.00 0.00 61.98 63.81 2za5 s VAL 187 Cb 0.14 -4.27 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2za5 s VAL 187 CO 0.69 -0.05 0.74 -0.60 0.00 0.00 0.00 175.10 175.88 2za5 s ARG 188 N 2.38 4.17 -0.24 2.72 3.52 -1.26 -4.89 118.95 125.35 2za5 s ARG 188 Ca 0.48 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.68 2za5 s ARG 188 Cb -0.18 -3.64 -0.15 0.00 -1.56 0.00 0.00 34.95 29.43 2za5 s ARG 188 CO 0.15 -0.44 -0.11 -0.89 -0.81 0.00 0.00 175.30 173.20 2za5 n ILE 189 N 5.14 1.53 -2.74 4.11 5.41 -1.26 -4.80 119.36 126.76 2za5 n ILE 189 Ca 0.03 -0.20 -0.43 0.00 1.00 0.00 0.00 62.75 63.15 2za5 n ILE 189 Cb 0.48 -1.98 -0.03 0.00 -0.71 0.00 0.00 39.64 37.41 2za5 n ILE 189 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2za5 s VAL 190 N -2.45 4.52 0.59 1.39 1.01 -1.26 -5.02 120.40 119.18 2za5 s VAL 190 Ca -0.34 1.36 -0.03 0.00 0.00 0.00 0.00 61.98 62.98 2za5 s VAL 190 Cb 0.10 -4.39 0.03 0.00 0.00 0.00 0.00 36.38 32.13 2za5 s VAL 190 CO 0.52 -0.57 0.86 -0.13 0.00 0.00 0.00 175.10 175.78 2za5 s ARG 191 N 3.63 2.58 0.46 2.72 1.81 -1.26 -4.92 118.95 123.96 2za5 s ARG 191 Ca 0.41 -0.44 0.22 0.00 -1.72 0.00 0.00 55.73 54.20 2za5 s ARG 191 Cb -0.11 -2.36 1.11 0.00 -0.45 0.00 0.00 34.95 33.13 2za5 s ARG 191 CO 0.19 -0.81 1.95 -0.44 -0.68 0.00 0.00 175.30 175.51 2za5 h ASP 192 N -0.13 0.00 -0.16 0.23 3.32 -2.00 -1.83 116.42 115.86 2za5 h ASP 192 Ca -0.44 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2za5 h ASP 192 Cb 1.29 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.84 2za5 h ASP 192 CO 0.57 0.22 0.00 -0.90 -1.72 0.00 0.00 179.24 177.41 2za5 n ASP 193 N -3.77 1.52 -4.50 6.45 5.75 -1.26 -4.88 116.55 115.86 2za5 n ASP 193 Ca -0.02 -2.11 -0.30 0.00 -0.01 0.00 0.00 54.79 52.36 2za5 n ASP 193 Cb 0.32 -0.33 -0.08 0.00 -1.03 0.00 0.00 41.12 40.00 2za5 n ASP 193 CO 0.00 0.00 0.00 -0.04 -0.11 0.00 0.00 177.20 177.05 2za5 s MET 194 N -1.59 2.07 -0.28 0.11 -1.94 -0.69 0.25 119.30 117.23 2za5 s MET 194 Ca 0.12 -2.29 -0.21 0.00 -1.71 0.00 0.00 55.69 51.60 2za5 s MET 194 Cb 0.08 -1.16 0.09 0.00 2.01 0.00 0.00 34.83 35.85 2za5 s MET 194 CO 0.06 -0.39 0.79 -1.17 -0.01 0.00 0.00 175.02 174.31 2za5 s LEU 195 N -3.75 -0.74 -0.05 -0.03 0.20 -0.58 -4.57 118.68 109.16 2za5 s LEU 195 Ca 0.15 1.30 -0.01 0.00 0.69 0.00 0.00 54.13 56.26 2za5 s LEU 195 Cb 0.03 2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 48.01 2za5 s LEU 195 CO 0.09 -0.21 0.00 0.00 -0.29 0.00 0.00 176.35 175.94 2za5 s ALA 197 N -0.97 -0.89 0.00 0.00 0.00 -0.72 -0.97 121.76 118.21 2za5 s ALA 197 Ca 0.16 0.19 0.00 0.00 0.00 0.00 0.00 51.96 52.31 2za5 s ALA 197 Cb -0.11 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.36 2za5 s ALA 197 CO 0.06 -0.45 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2za5 n GLY 198 N 0.50 1.39 0.00 0.00 0.00 -0.50 -0.76 105.19 105.82 2za5 n GLY 198 Ca -0.18 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 43.80 2za5 n GLY 198 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2za5 n ASN 199 N 0.00 0.00 -0.18 1.61 0.23 -0.10 -4.70 115.26 112.12 2za5 n ASN 199 Ca 0.00 0.00 0.15 0.00 -0.53 0.00 0.00 54.58 54.20 2za5 n ASN 199 Cb 0.00 0.00 0.77 0.00 -2.08 0.00 0.00 39.78 38.47 2za5 n ASN 199 CO 0.00 0.00 0.00 1.07 -0.93 0.00 0.00 177.26 177.40 2za5 n THR 200 N 0.00 0.00 0.00 5.53 5.66 -1.26 -3.58 114.28 120.63 2za5 n THR 200 Ca 0.00 -0.09 0.00 0.00 -3.05 0.00 0.00 64.05 60.91 2za5 n THR 200 Cb 0.00 -0.12 0.00 0.00 -1.55 0.00 0.00 70.33 68.66 2za5 n THR 200 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2za5 n ARG 201 N -0.59 2.58 -3.74 1.09 0.63 -1.26 -4.84 116.66 110.51 2za5 n ARG 201 Ca 0.21 0.00 -0.20 0.00 -0.92 0.00 0.00 57.85 56.94 2za5 n ARG 201 Cb 0.21 -0.76 -0.18 0.00 0.45 0.00 0.00 32.46 32.19 2za5 n ARG 201 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 2za5 s ARG 202 N -1.14 0.20 0.00 -0.14 0.52 -1.23 -3.69 118.95 113.47 2za5 s ARG 202 Ca 0.00 0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 55.16 2za5 s ARG 202 Cb 0.00 -0.65 0.10 0.00 0.52 0.00 0.00 34.95 34.92 2za5 s ARG 202 CO 0.00 -0.29 1.02 0.34 0.02 0.00 0.00 175.30 176.39 2za5 s ASP 203 N 1.90 -0.23 0.44 0.23 2.15 -1.03 -0.93 116.67 119.20 2za5 s ASP 203 Ca 0.02 -0.13 0.00 0.00 0.43 0.00 0.00 52.55 52.88 2za5 s ASP 203 Cb -0.12 0.34 -0.01 0.00 -0.30 0.00 0.00 42.92 42.83 2za5 s ASP 203 CO -0.04 -0.58 0.67 -0.94 -0.17 0.00 0.00 175.17 174.11 2za5 s SER 204 N -2.61 5.89 0.34 -0.34 1.04 -1.26 0.10 113.70 116.86 2za5 s SER 204 Ca 0.09 0.33 -0.02 0.00 0.48 0.00 0.00 55.95 56.84 2za5 s SER 204 Cb -0.00 -1.61 -0.00 0.00 0.10 0.00 0.00 66.02 64.50 2za5 s SER 204 CO -0.05 -0.66 0.45 0.00 0.98 0.00 0.00 173.24 173.96 2za5 n GLN 206 N -0.56 0.62 0.00 0.00 7.27 -1.26 -0.31 117.38 123.13 2za5 n GLN 206 Ca 0.02 0.22 0.00 0.00 0.07 0.00 0.00 57.00 57.31 2za5 n GLN 206 Cb 0.62 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.47 2za5 n GLN 206 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2za5 n GLY 207 N 2.05 1.35 0.07 1.69 0.00 -1.26 -0.72 105.19 108.36 2za5 n GLY 207 Ca 0.19 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.32 2za5 n GLY 207 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2za5 n ASP 208 N 0.00 0.54 -4.48 1.61 8.00 0.57 -3.84 116.55 118.96 2za5 n ASP 208 Ca 0.00 0.12 -0.54 0.00 0.71 0.00 0.00 54.79 55.08 2za5 n ASP 208 Cb 0.00 0.99 -0.06 0.00 -0.02 0.00 0.00 41.12 42.04 2za5 n ASP 208 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2za5 n SER 209 N -2.40 -0.15 0.00 -2.24 7.64 -1.25 -1.01 113.62 114.21 2za5 n SER 209 Ca -0.01 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.02 2za5 n SER 209 Cb 0.53 -0.98 0.00 0.00 -1.01 0.00 0.00 64.21 62.75 2za5 n SER 209 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2za5 n GLY 210 N 1.77 1.94 3.92 0.23 0.00 0.18 -0.20 105.19 113.03 2za5 n GLY 210 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.93 2za5 n GLY 210 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2za5 s GLY 211 N -1.98 1.67 -0.00 -0.02 0.00 -0.18 -3.26 107.32 103.54 2za5 s GLY 211 Ca 0.00 -0.89 -0.22 0.00 0.00 0.00 0.00 44.72 43.61 2za5 s GLY 211 CO 0.00 -0.39 0.65 2.56 0.00 0.00 0.00 173.10 175.91 2za5 s PRO 212 N -5.47 4.38 -0.37 2.90 0.04 -1.26 -1.11 135.00 134.10 2za5 s PRO 212 Ca 0.63 0.83 -0.16 0.00 0.04 0.00 0.00 61.00 62.33 2za5 s PRO 212 Cb -0.10 -3.36 0.00 0.00 0.04 0.00 0.00 34.50 31.08 2za5 s PRO 212 CO 0.48 0.30 0.41 -1.17 0.04 0.00 0.00 177.00 177.06 2za5 s LEU 213 N -0.01 4.59 0.13 -3.56 2.96 -0.27 -3.26 118.68 119.26 2za5 s LEU 213 Ca 0.34 -0.38 0.08 0.00 -0.22 0.00 0.00 54.13 53.95 2za5 s LEU 213 Cb -0.19 -2.38 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 2za5 s LEU 213 CO 0.19 -0.45 -0.14 0.68 -1.32 0.00 0.00 176.35 175.31 2za5 s VAL 214 N 2.11 3.06 0.02 1.68 -7.23 0.67 -1.09 120.40 119.62 2za5 s VAL 214 Ca 0.13 -1.48 0.03 0.00 -1.81 0.00 0.00 61.98 58.85 2za5 s VAL 214 Cb -0.17 -2.44 -0.02 0.00 0.56 0.00 0.00 36.38 34.32 2za5 s VAL 214 CO 0.13 0.05 -0.10 0.00 -0.31 0.00 0.00 175.10 174.87 2za5 s LYS 216 N -0.92 3.97 -0.08 0.00 2.20 -1.03 -0.68 119.74 123.20 2za5 s LYS 216 Ca -0.01 0.17 0.00 0.00 -0.36 0.00 0.00 55.97 55.78 2za5 s LYS 216 Cb -0.07 -3.68 0.02 0.00 -1.51 0.00 0.00 37.83 32.59 2za5 s LYS 216 CO 0.01 -0.39 -0.07 0.54 -0.36 0.00 0.00 175.35 175.08 2za5 s VAL 217 N 2.28 0.81 -1.51 4.02 0.11 -0.18 -4.77 120.40 121.16 2za5 s VAL 217 Ca 0.19 -0.22 -0.05 0.00 -2.93 0.00 0.00 61.98 58.97 2za5 s VAL 217 Cb -0.16 -0.82 0.02 0.00 -1.53 0.00 0.00 36.38 33.89 2za5 s VAL 217 CO 0.10 0.31 0.56 0.59 -3.33 0.00 0.00 175.10 173.33 2za5 n ASN 218 N 4.46 -5.63 -0.10 3.54 5.03 -1.26 -1.26 115.26 120.04 2za5 n ASN 218 Ca -0.17 -0.29 -0.01 0.00 0.87 0.00 0.00 54.58 54.97 2za5 n ASN 218 Cb 0.51 -4.57 -0.01 0.00 -1.02 0.00 0.00 39.78 34.69 2za5 n ASN 218 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2za5 n GLY 219 N -1.44 0.45 3.21 7.41 0.00 -1.26 -5.02 105.19 108.54 2za5 n GLY 219 Ca -0.10 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 2za5 n GLY 219 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2za5 s THR 220 N -1.80 2.01 -0.09 2.61 2.01 -0.39 -5.10 115.64 114.89 2za5 s THR 220 Ca 0.00 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.71 2za5 s THR 220 Cb 0.00 -1.74 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 2za5 s THR 220 CO 0.00 0.55 1.42 0.26 -0.69 0.00 0.00 174.62 176.16 2za5 s TRP 221 N 0.30 2.55 -0.08 4.92 0.52 -1.26 -1.01 118.94 124.89 2za5 s TRP 221 Ca -0.17 0.69 0.03 0.00 0.02 0.00 0.00 56.10 56.67 2za5 s TRP 221 Cb -0.17 -3.67 -0.02 0.00 -1.15 0.00 0.00 33.47 28.45 2za5 s TRP 221 CO 0.08 -2.58 -0.17 -0.51 0.02 0.00 0.00 176.95 173.79 2za5 s LEU 222 N 3.44 2.55 -0.57 2.99 2.01 0.14 -3.87 118.68 125.38 2za5 s LEU 222 Ca 0.63 -0.33 -0.28 0.00 0.01 0.00 0.00 54.13 54.15 2za5 s LEU 222 Cb -0.28 -1.53 0.02 0.00 0.01 0.00 0.00 46.19 44.42 2za5 s LEU 222 CO 0.22 0.25 1.27 -1.58 1.01 0.00 0.00 176.35 177.52 2za5 s GLN 223 N -0.15 3.45 0.03 1.70 0.74 -0.66 -1.52 119.66 123.24 2za5 s GLN 223 Ca -0.02 0.34 -0.09 0.00 0.05 0.00 0.00 55.36 55.64 2za5 s GLN 223 Cb -0.14 -4.05 -0.31 0.00 1.10 0.00 0.00 33.01 29.61 2za5 s GLN 223 CO 0.04 -1.76 0.99 0.00 -0.55 0.00 0.00 175.29 174.00 2za5 h ALA 224 N 10.07 0.03 -2.30 1.58 0.00 -1.46 -3.37 119.26 123.81 2za5 h ALA 224 Ca -0.26 -0.94 -0.13 0.00 0.00 0.00 0.00 54.91 53.58 2za5 h ALA 224 Cb 1.07 0.17 -0.15 0.00 0.00 0.00 0.00 17.79 18.88 2za5 h ALA 224 CO 1.18 0.90 -0.65 0.20 0.00 0.00 0.00 179.25 180.88 2za5 s GLY 225 N -4.73 0.57 -0.18 0.00 0.00 -0.96 -1.71 107.32 100.31 2za5 s GLY 225 Ca -0.08 -1.23 -0.02 0.00 0.00 0.00 0.00 44.72 43.39 2za5 s GLY 225 CO 0.90 -1.29 -0.08 0.14 0.00 0.00 0.00 173.10 172.77 2za5 s VAL 226 N -3.95 3.27 -0.07 1.40 1.01 -0.68 -1.11 120.40 120.27 2za5 s VAL 226 Ca 0.11 -0.56 -0.36 0.00 0.00 0.00 0.00 61.98 61.17 2za5 s VAL 226 Cb 0.08 -2.43 -0.14 0.00 0.00 0.00 0.00 36.38 33.88 2za5 s VAL 226 CO -0.07 0.48 1.70 0.52 0.00 0.00 0.00 175.10 177.73 2za5 n VAL 227 N 4.13 0.31 0.04 2.92 0.31 -0.27 -0.87 118.33 124.90 2za5 n VAL 227 Ca -0.18 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.09 2za5 n VAL 227 Cb 0.52 -1.46 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 2za5 n VAL 227 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 2za5 n SER 228 N 5.05 0.48 -1.98 4.52 2.88 -0.94 -0.64 113.62 122.99 2za5 n SER 228 Ca 0.22 0.12 -0.05 0.00 -1.33 0.00 0.00 58.87 57.83 2za5 n SER 228 Cb 0.23 -0.11 0.02 0.00 -0.75 0.00 0.00 64.21 63.60 2za5 n SER 228 CO 0.00 0.00 0.00 -2.67 -1.23 0.00 0.00 175.04 171.14 2za5 n TRP 229 N -3.05 -1.74 0.00 0.66 4.27 -0.49 -4.92 117.44 112.17 2za5 n TRP 229 Ca 0.00 -1.01 0.00 0.00 -3.89 0.00 0.00 57.50 52.60 2za5 n TRP 229 Cb 0.00 0.51 0.00 0.00 -1.36 0.00 0.00 31.31 30.46 2za5 n TRP 229 CO 0.00 0.00 0.00 0.41 -2.29 0.00 0.00 177.69 175.81 2za5 n GLY 230 N -0.29 -0.33 3.46 -1.67 0.00 -1.26 -0.24 105.19 104.85 2za5 n GLY 230 Ca -0.05 -1.13 -0.44 0.00 0.00 0.00 0.00 46.02 44.40 2za5 n GLY 230 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2za5 s GLU 231 N -2.00 3.16 2.38 1.61 2.12 -1.26 -4.93 118.70 119.78 2za5 s GLU 231 Ca 0.00 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.55 2za5 s GLU 231 Cb 0.00 -4.11 0.00 0.00 0.26 0.00 0.00 34.13 30.28 2za5 s GLU 231 CO 0.00 -1.36 0.00 0.41 -0.54 0.00 0.00 175.26 173.77 2za5 n GLY 232 N 5.18 0.07 3.27 -1.50 0.00 -1.26 -4.52 105.19 106.43 2za5 n GLY 232 Ca -0.05 -0.88 -0.30 0.00 0.00 0.00 0.00 46.02 44.79 2za5 n GLY 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2za5 n ALA 234 N 2.71 -1.16 -2.07 0.00 0.00 -1.26 -4.73 120.51 114.00 2za5 n ALA 234 Ca -0.17 -0.14 -0.34 0.00 0.00 0.00 0.00 53.44 52.80 2za5 n ALA 234 Cb 0.52 -2.11 -0.06 0.00 0.00 0.00 0.00 19.45 17.79 2za5 n ALA 234 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 2za5 s GLN 235 N -6.67 4.11 0.16 0.00 -1.52 -1.26 -4.49 119.66 110.00 2za5 s GLN 235 Ca 0.63 0.80 -0.34 0.00 -1.95 0.00 0.00 55.36 54.50 2za5 s GLN 235 Cb -0.36 -2.52 -0.15 0.00 -0.22 0.00 0.00 33.01 29.76 2za5 s GLN 235 CO 0.77 0.19 1.41 -2.30 -0.25 0.00 0.00 175.29 175.11 2za5 n PRO 236 N -0.10 1.71 -1.95 2.91 -0.02 -1.26 -1.86 135.00 134.43 2za5 n PRO 236 Ca 0.03 0.61 -0.21 0.00 -2.02 0.00 0.00 63.50 61.91 2za5 n PRO 236 Cb 0.53 -2.28 -0.05 0.00 -0.02 0.00 0.00 33.50 31.67 2za5 n PRO 236 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 2za5 n ASN 237 N 2.67 -5.65 -3.20 2.55 5.03 -1.26 -4.92 115.26 110.47 2za5 n ASN 237 Ca 0.16 0.28 -0.23 0.00 0.87 0.00 0.00 54.58 55.66 2za5 n ASN 237 Cb 0.26 -4.86 -0.06 0.00 -1.02 0.00 0.00 39.78 34.10 2za5 n ASN 237 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 2za5 n ARG 238 N -2.65 1.08 -1.29 3.52 5.12 -0.78 -3.91 116.66 117.75 2za5 n ARG 238 Ca -0.22 -3.48 -0.36 0.00 -1.93 0.00 0.00 57.85 51.86 2za5 n ARG 238 Cb 0.68 -1.50 0.08 0.00 -1.16 0.00 0.00 32.46 30.57 2za5 n ARG 238 CO 0.00 0.00 0.00 -2.30 -1.93 0.00 0.00 177.63 173.40 2za5 n PRO 239 N 0.97 0.39 -1.79 5.56 -0.02 -1.26 -4.43 135.00 134.41 2za5 n PRO 239 Ca 0.23 0.18 -0.41 0.00 -2.02 0.00 0.00 63.50 61.49 2za5 n PRO 239 Cb 0.55 -2.08 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2za5 n PRO 239 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2za5 s GLY 240 N -1.62 2.73 -0.15 -1.23 0.00 0.06 -4.70 107.32 102.41 2za5 s GLY 240 Ca 0.70 1.58 -0.04 0.00 0.00 0.00 0.00 44.72 46.96 2za5 s GLY 240 CO 0.53 2.34 -0.02 -0.42 0.00 0.00 0.00 173.10 175.54 2za5 s ILE 241 N -0.83 4.07 0.15 0.90 1.01 0.66 -1.75 121.20 125.40 2za5 s ILE 241 Ca 0.55 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 61.02 2za5 s ILE 241 Cb -0.47 -2.78 -0.04 0.00 0.01 0.00 0.00 42.46 39.18 2za5 s ILE 241 CO 0.59 0.50 -0.26 -0.31 0.00 0.00 0.00 174.94 175.46 2za5 s TYR 242 N 0.25 2.28 0.11 3.97 1.51 0.39 -1.39 117.35 124.47 2za5 s TYR 242 Ca -0.02 -0.38 -0.30 0.00 -1.01 0.00 0.00 57.07 55.37 2za5 s TYR 242 Cb -0.14 -1.20 -0.07 0.00 -0.11 0.00 0.00 41.96 40.45 2za5 s TYR 242 CO 0.02 0.39 1.19 0.99 -1.11 0.00 0.00 175.55 177.03 2za5 s THR 243 N -1.27 3.88 -0.46 -0.71 2.01 -0.05 -1.53 115.64 117.51 2za5 s THR 243 Ca 0.16 1.43 -0.26 0.00 0.31 0.00 0.00 61.69 63.34 2za5 s THR 243 Cb -0.09 -3.92 0.03 0.00 0.01 0.00 0.00 72.50 68.53 2za5 s THR 243 CO 0.07 0.16 0.93 -0.60 -0.69 0.00 0.00 174.62 174.49 2za5 s ARG 244 N 0.56 3.55 0.26 4.92 3.52 0.14 -1.68 118.95 130.22 2za5 s ARG 244 Ca 0.56 0.19 -0.03 0.00 -0.13 0.00 0.00 55.73 56.32 2za5 s ARG 244 Cb -0.30 -3.92 0.40 0.00 -1.56 0.00 0.00 34.95 29.57 2za5 s ARG 244 CO 0.32 -1.22 1.86 0.28 -0.81 0.00 0.00 175.30 175.73 2za5 h VAL 245 N 6.08 1.04 -0.49 7.11 2.07 -1.63 -2.39 116.25 128.04 2za5 h VAL 245 Ca -0.24 -0.36 0.06 0.00 0.82 0.00 0.00 66.70 66.98 2za5 h VAL 245 Cb 1.07 -0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.70 2za5 h VAL 245 CO 1.03 0.19 0.33 0.71 0.02 0.00 0.00 177.57 179.85 2za5 h THR 246 N 1.06 0.97 0.00 2.57 1.35 -1.89 -0.38 112.91 116.59 2za5 h THR 246 Ca 0.42 -0.15 -0.01 0.00 -0.55 0.00 0.00 66.41 66.12 2za5 h THR 246 Cb 0.23 0.51 -0.00 0.00 -1.73 0.00 0.00 68.15 67.16 2za5 h THR 246 CO -0.19 0.08 -0.06 0.22 -0.25 0.00 0.00 175.52 175.31 2za5 h TYR 247 N 0.42 0.00 -0.15 4.73 5.03 -1.78 -3.01 116.97 122.20 2za5 h TYR 247 Ca 0.21 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.52 2za5 h TYR 247 Cb 0.31 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.59 2za5 h TYR 247 CO -0.00 0.06 0.00 0.66 -1.32 0.00 0.00 178.16 177.56 2za5 n TYR 248 N -3.77 0.26 -0.08 -3.82 4.01 -0.18 -4.72 117.16 108.86 2za5 n TYR 248 Ca -0.02 -0.58 -0.07 0.00 -0.16 0.00 0.00 57.90 57.07 2za5 n TYR 248 Cb 0.16 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.11 2za5 n TYR 248 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 2za5 h LEU 249 N 0.92 -0.26 -0.71 7.72 3.38 -1.35 0.49 115.31 125.50 2za5 h LEU 249 Ca 0.00 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2za5 h LEU 249 Cb 0.71 0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 2za5 h LEU 249 CO 0.02 -0.09 0.46 0.44 0.09 0.00 0.00 178.44 179.36 2za5 h ASP 250 N 0.01 0.82 -0.39 -0.43 3.32 -1.84 0.72 116.42 118.63 2za5 h ASP 250 Ca 0.14 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 2za5 h ASP 250 Cb 0.21 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 2za5 h ASP 250 CO -0.30 0.61 0.14 -0.25 -1.72 0.00 0.00 179.24 177.72 2za5 h TRP 251 N 0.96 0.61 -0.29 4.55 7.01 -1.77 -2.47 115.95 124.57 2za5 h TRP 251 Ca 0.26 -0.05 0.03 0.00 2.11 0.00 0.00 58.89 61.24 2za5 h TRP 251 Cb -0.09 -0.18 -0.03 0.00 -2.10 0.00 0.00 29.16 26.75 2za5 h TRP 251 CO -0.02 0.56 0.09 0.82 -2.79 0.00 0.00 178.44 177.10 2za5 h ILE 252 N 0.49 0.91 0.00 2.65 2.04 -0.47 -2.19 117.51 120.94 2za5 h ILE 252 Ca 0.13 -0.07 0.00 0.00 1.00 0.00 0.00 64.86 65.92 2za5 h ILE 252 Cb 0.23 0.68 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2za5 h ILE 252 CO -0.01 0.04 0.00 1.41 0.00 0.00 0.00 178.15 179.59 2za5 n HIS 253 N -5.04 0.00 0.27 1.37 8.25 0.21 -1.22 115.22 119.06 2za5 n HIS 253 Ca -0.01 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.61 2za5 n HIS 253 Cb 0.11 -0.33 0.52 0.00 1.12 0.00 0.00 29.99 31.41 2za5 n HIS 253 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 2za5 h HIS 254 N 0.00 0.00 0.00 4.41 -0.00 -0.91 -3.36 115.15 115.29 2za5 h HIS 254 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.32 2za5 h HIS 254 Cb 0.22 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.62 2za5 h HIS 254 CO 0.00 0.00 -1.20 0.66 -0.00 0.00 0.00 177.93 177.39 2za5 n TYR 255 N -3.04 0.00 -3.84 5.26 4.01 -0.63 -5.02 117.16 113.90 2za5 n TYR 255 Ca 0.02 0.00 -0.36 0.00 -0.16 0.00 0.00 57.90 57.40 2za5 n TYR 255 Cb 0.37 -0.14 -0.11 0.00 -0.31 0.00 0.00 39.34 39.15 2za5 n TYR 255 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2za5 s VAL 256 N -2.07 4.57 0.55 -0.72 1.01 -0.36 -5.08 120.40 118.29 2za5 s VAL 256 Ca -0.03 -0.09 -0.21 0.00 0.00 0.00 0.00 61.98 61.65 2za5 s VAL 256 Cb 0.01 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.22 2za5 s VAL 256 CO 0.10 0.37 1.14 -2.65 0.00 0.00 0.00 175.10 174.06 2za5 n PRO 257 N 4.48 1.31 0.00 2.72 -0.02 -1.26 -4.52 135.00 137.70 2za5 n PRO 257 Ca -0.16 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 61.81 2za5 n PRO 257 Cb 0.52 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 2za5 n PRO 257 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65